USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1032 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 -154:sc= 1 USER MOD Set 1.2: A 51 TYR OH : rot 15:sc= 0.818 USER MOD Set 2.1: A 7 LYS NZ :NH3+ -155:sc= 2.67 (180deg=1.47) USER MOD Set 2.2: A 121 GLN : amide:sc= -6.51! C(o=-3.8!,f=-10!) USER MOD Set 3.1: A 3 TYR OH : rot 166:sc= 0.258 USER MOD Set 3.2: A 129 LYS NZ :NH3+ -118:sc= 0.238 (180deg=-0.0128) USER MOD Single : A 11 SER OG : rot -14:sc= 1.25 USER MOD Single : A 14 SER OG : rot 180:sc= -0.431 USER MOD Single : A 17 GLN : amide:sc= -1.56! C(o=-1.6!,f=-6.6!) USER MOD Single : A 18 GLN : amide:sc= -0.662 K(o=-0.66,f=-4.2!) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 2.44 (180deg=2.25) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00389 USER MOD Single : A 33 ASN : amide:sc= 0.689 K(o=0.69,f=-6.6!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -121:sc= -0.26 (180deg=-2.53!) USER MOD Single : A 39 HIS : no HD1:sc= -0.0315 X(o=-0.031,f=-0.14) USER MOD Single : A 40 MET CE :methyl 135:sc= -1.61 (180deg=-2.96!) USER MOD Single : A 43 MET CE :methyl 158:sc= 0 (180deg=-0.975) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 54 SER OG : rot -28:sc= -1.37 USER MOD Single : A 55 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 154:sc= 1.06 (180deg=0.32) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -35:sc= -2.19! USER MOD Single : A 87 LYS NZ :NH3+ 149:sc= 0.11 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0218) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -134:sc= -3.08! (180deg=-4.08!) USER MOD Single : A 113 MET CE :methyl -152:sc= -2.29! (180deg=-4.52!) USER MOD Single : A 114 LYS NZ :NH3+ -123:sc= 1.15 (180deg=-1.17) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot -86:sc= 0.684 USER MOD Single : A 132 CYS SG : rot 69:sc= 1.26 USER MOD Single : A 133 LYS NZ :NH3+ 145:sc= -0.191 (180deg=-1.01) USER MOD Single : A 134 MET CE :methyl -150:sc= -0.166 (180deg=-1.64!) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 117.627 5.857 -10.414 1.00 0.00 N ATOM 20 CA ALA A 2 116.669 6.414 -9.477 1.00 0.00 C ATOM 21 C ALA A 2 116.832 5.763 -8.112 1.00 0.00 C ATOM 22 O ALA A 2 117.424 4.685 -7.991 1.00 0.00 O ATOM 23 CB ALA A 2 115.249 6.232 -9.992 1.00 0.00 C ATOM 0 HA ALA A 2 116.859 7.483 -9.377 1.00 0.00 H new ATOM 0 HB1 ALA A 2 114.545 6.656 -9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 2 115.142 6.740 -10.950 1.00 0.00 H new ATOM 0 HB3 ALA A 2 115.041 5.170 -10.119 1.00 0.00 H new ATOM 29 N TYR A 3 116.320 6.423 -7.088 1.00 0.00 N ATOM 30 CA TYR A 3 116.409 5.906 -5.737 1.00 0.00 C ATOM 31 C TYR A 3 115.017 5.742 -5.152 1.00 0.00 C ATOM 32 O TYR A 3 114.156 6.609 -5.317 1.00 0.00 O ATOM 33 CB TYR A 3 117.247 6.838 -4.861 1.00 0.00 C ATOM 34 CG TYR A 3 118.662 7.043 -5.362 1.00 0.00 C ATOM 35 CD1 TYR A 3 119.536 5.971 -5.497 1.00 0.00 C ATOM 36 CD2 TYR A 3 119.126 8.312 -5.683 1.00 0.00 C ATOM 37 CE1 TYR A 3 120.834 6.160 -5.937 1.00 0.00 C ATOM 38 CE2 TYR A 3 120.419 8.506 -6.127 1.00 0.00 C ATOM 39 CZ TYR A 3 121.268 7.430 -6.252 1.00 0.00 C ATOM 40 OH TYR A 3 122.563 7.626 -6.684 1.00 0.00 O ATOM 0 H TYR A 3 115.838 7.319 -7.168 1.00 0.00 H new ATOM 0 HA TYR A 3 116.897 4.932 -5.766 1.00 0.00 H new ATOM 0 HB2 TYR A 3 116.750 7.806 -4.799 1.00 0.00 H new ATOM 0 HB3 TYR A 3 117.285 6.433 -3.850 1.00 0.00 H new ATOM 0 HD1 TYR A 3 119.197 4.975 -5.255 1.00 0.00 H new ATOM 0 HD2 TYR A 3 118.465 9.160 -5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 3 121.503 5.318 -6.033 1.00 0.00 H new ATOM 0 HE2 TYR A 3 120.763 9.499 -6.375 1.00 0.00 H new ATOM 0 HH TYR A 3 122.644 8.519 -7.080 1.00 0.00 H new ATOM 50 N TRP A 4 114.790 4.624 -4.488 1.00 0.00 N ATOM 51 CA TRP A 4 113.476 4.320 -3.951 1.00 0.00 C ATOM 52 C TRP A 4 113.583 3.902 -2.492 1.00 0.00 C ATOM 53 O TRP A 4 114.679 3.802 -1.941 1.00 0.00 O ATOM 54 CB TRP A 4 112.815 3.201 -4.765 1.00 0.00 C ATOM 55 CG TRP A 4 112.838 3.443 -6.248 1.00 0.00 C ATOM 56 CD1 TRP A 4 113.740 2.942 -7.142 1.00 0.00 C ATOM 57 CD2 TRP A 4 111.930 4.251 -7.002 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.445 3.384 -8.408 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.337 4.189 -8.349 1.00 0.00 C ATOM 60 CE3 TRP A 4 110.811 5.021 -6.672 1.00 0.00 C ATOM 61 CZ2 TRP A 4 111.668 4.869 -9.362 1.00 0.00 C ATOM 62 CZ3 TRP A 4 110.145 5.692 -7.679 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.576 5.612 -9.011 1.00 0.00 C ATOM 0 H TRP A 4 115.497 3.912 -4.307 1.00 0.00 H new ATOM 0 HA TRP A 4 112.861 5.218 -4.017 1.00 0.00 H new ATOM 0 HB2 TRP A 4 113.321 2.260 -4.551 1.00 0.00 H new ATOM 0 HB3 TRP A 4 111.781 3.088 -4.439 1.00 0.00 H new ATOM 0 HD1 TRP A 4 114.565 2.293 -6.890 1.00 0.00 H new ATOM 0 HE1 TRP A 4 113.965 3.151 -9.254 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.473 5.090 -5.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 112.000 4.812 -10.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.278 6.288 -7.436 1.00 0.00 H new ATOM 0 HH2 TRP A 4 110.034 6.149 -9.775 1.00 0.00 H new ATOM 74 N LEU A 5 112.443 3.665 -1.868 1.00 0.00 N ATOM 75 CA LEU A 5 112.404 3.171 -0.504 1.00 0.00 C ATOM 76 C LEU A 5 111.198 2.260 -0.340 1.00 0.00 C ATOM 77 O LEU A 5 110.068 2.666 -0.617 1.00 0.00 O ATOM 78 CB LEU A 5 112.355 4.345 0.488 1.00 0.00 C ATOM 79 CG LEU A 5 112.681 4.011 1.950 1.00 0.00 C ATOM 80 CD1 LEU A 5 113.046 5.275 2.706 1.00 0.00 C ATOM 81 CD2 LEU A 5 111.507 3.325 2.634 1.00 0.00 C ATOM 0 H LEU A 5 111.525 3.808 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 5 113.308 2.600 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 5 113.053 5.110 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 5 111.358 4.783 0.451 1.00 0.00 H new ATOM 0 HG LEU A 5 113.529 3.326 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 5 113.275 5.026 3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 5 113.918 5.737 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 5 112.208 5.971 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 5 111.769 3.101 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 5 110.639 3.984 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 5 111.272 2.398 2.111 1.00 0.00 H new ATOM 93 N VAL A 6 111.440 1.031 0.085 1.00 0.00 N ATOM 94 CA VAL A 6 110.372 0.059 0.264 1.00 0.00 C ATOM 95 C VAL A 6 110.118 -0.197 1.743 1.00 0.00 C ATOM 96 O VAL A 6 111.058 -0.329 2.536 1.00 0.00 O ATOM 97 CB VAL A 6 110.684 -1.278 -0.448 1.00 0.00 C ATOM 98 CG1 VAL A 6 110.701 -1.090 -1.957 1.00 0.00 C ATOM 99 CG2 VAL A 6 112.010 -1.862 0.028 1.00 0.00 C ATOM 0 H VAL A 6 112.370 0.681 0.314 1.00 0.00 H new ATOM 0 HA VAL A 6 109.476 0.484 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 6 109.893 -1.983 -0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 6 110.922 -2.042 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 6 109.727 -0.732 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 6 111.466 -0.361 -2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.201 -2.801 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 6 112.815 -1.159 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 6 111.963 -2.044 1.102 1.00 0.00 H new ATOM 109 N LYS A 7 108.850 -0.248 2.116 1.00 0.00 N ATOM 110 CA LYS A 7 108.478 -0.549 3.486 1.00 0.00 C ATOM 111 C LYS A 7 108.210 -2.039 3.635 1.00 0.00 C ATOM 112 O LYS A 7 107.184 -2.548 3.183 1.00 0.00 O ATOM 113 CB LYS A 7 107.241 0.251 3.916 1.00 0.00 C ATOM 114 CG LYS A 7 107.471 1.752 3.998 1.00 0.00 C ATOM 115 CD LYS A 7 106.559 2.385 5.039 1.00 0.00 C ATOM 116 CE LYS A 7 106.724 3.896 5.094 1.00 0.00 C ATOM 117 NZ LYS A 7 106.004 4.575 3.987 1.00 0.00 N ATOM 0 H LYS A 7 108.062 -0.085 1.489 1.00 0.00 H new ATOM 0 HA LYS A 7 109.307 -0.262 4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 7 106.432 0.056 3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 7 106.909 -0.109 4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 7 108.512 1.951 4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 7 107.288 2.206 3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 7 105.522 2.141 4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 7 106.777 1.960 6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 7 106.352 4.267 6.049 1.00 0.00 H new ATOM 0 HE3 LYS A 7 107.784 4.147 5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 106.452 5.493 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 106.043 3.983 3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 105.011 4.725 4.259 1.00 0.00 H new ATOM 131 N SER A 8 109.148 -2.734 4.256 1.00 0.00 N ATOM 132 CA SER A 8 109.036 -4.168 4.428 1.00 0.00 C ATOM 133 C SER A 8 108.833 -4.510 5.897 1.00 0.00 C ATOM 134 O SER A 8 109.648 -4.146 6.753 1.00 0.00 O ATOM 135 CB SER A 8 110.288 -4.863 3.887 1.00 0.00 C ATOM 136 OG SER A 8 110.141 -6.273 3.899 1.00 0.00 O ATOM 0 H SER A 8 109.996 -2.325 4.649 1.00 0.00 H new ATOM 0 HA SER A 8 108.170 -4.522 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 8 110.483 -4.524 2.870 1.00 0.00 H new ATOM 0 HB3 SER A 8 111.152 -4.580 4.488 1.00 0.00 H new ATOM 0 HG SER A 8 111.025 -6.694 3.950 1.00 0.00 H new ATOM 142 N GLU A 9 107.729 -5.177 6.191 1.00 0.00 N ATOM 143 CA GLU A 9 107.445 -5.638 7.537 1.00 0.00 C ATOM 144 C GLU A 9 108.206 -6.930 7.807 1.00 0.00 C ATOM 145 O GLU A 9 107.956 -7.948 7.159 1.00 0.00 O ATOM 146 CB GLU A 9 105.941 -5.850 7.728 1.00 0.00 C ATOM 147 CG GLU A 9 105.128 -4.575 7.562 1.00 0.00 C ATOM 148 CD GLU A 9 103.644 -4.786 7.778 1.00 0.00 C ATOM 149 OE1 GLU A 9 103.255 -5.187 8.894 1.00 0.00 O ATOM 150 OE2 GLU A 9 102.860 -4.523 6.842 1.00 0.00 O ATOM 0 H GLU A 9 107.010 -5.412 5.507 1.00 0.00 H new ATOM 0 HA GLU A 9 107.771 -4.879 8.248 1.00 0.00 H new ATOM 0 HB2 GLU A 9 105.592 -6.592 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 9 105.762 -6.260 8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 9 105.489 -3.826 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 9 105.290 -4.175 6.561 1.00 0.00 H new ATOM 157 N PRO A 10 109.138 -6.906 8.778 1.00 0.00 N ATOM 158 CA PRO A 10 110.004 -8.052 9.090 1.00 0.00 C ATOM 159 C PRO A 10 109.219 -9.284 9.542 1.00 0.00 C ATOM 160 O PRO A 10 109.749 -10.396 9.564 1.00 0.00 O ATOM 161 CB PRO A 10 110.901 -7.540 10.224 1.00 0.00 C ATOM 162 CG PRO A 10 110.184 -6.364 10.788 1.00 0.00 C ATOM 163 CD PRO A 10 109.423 -5.753 9.648 1.00 0.00 C ATOM 0 HA PRO A 10 110.557 -8.381 8.211 1.00 0.00 H new ATOM 0 HB2 PRO A 10 111.055 -8.308 10.982 1.00 0.00 H new ATOM 0 HB3 PRO A 10 111.886 -7.259 9.851 1.00 0.00 H new ATOM 0 HG2 PRO A 10 109.509 -6.666 11.589 1.00 0.00 H new ATOM 0 HG3 PRO A 10 110.886 -5.648 11.216 1.00 0.00 H new ATOM 0 HD2 PRO A 10 108.507 -5.269 9.988 1.00 0.00 H new ATOM 0 HD3 PRO A 10 110.011 -4.995 9.132 1.00 0.00 H new ATOM 171 N SER A 11 107.959 -9.077 9.910 1.00 0.00 N ATOM 172 CA SER A 11 107.070 -10.178 10.246 1.00 0.00 C ATOM 173 C SER A 11 106.803 -11.032 9.009 1.00 0.00 C ATOM 174 O SER A 11 106.583 -12.238 9.104 1.00 0.00 O ATOM 175 CB SER A 11 105.751 -9.640 10.801 1.00 0.00 C ATOM 176 OG SER A 11 105.965 -8.762 11.896 1.00 0.00 O ATOM 0 H SER A 11 107.532 -8.154 9.983 1.00 0.00 H new ATOM 0 HA SER A 11 107.548 -10.795 11.007 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.211 -9.115 10.013 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.123 -10.472 11.118 1.00 0.00 H new ATOM 0 HG SER A 11 106.889 -8.851 12.211 1.00 0.00 H new ATOM 182 N VAL A 12 106.838 -10.395 7.848 1.00 0.00 N ATOM 183 CA VAL A 12 106.622 -11.087 6.590 1.00 0.00 C ATOM 184 C VAL A 12 107.962 -11.489 5.987 1.00 0.00 C ATOM 185 O VAL A 12 108.262 -12.678 5.848 1.00 0.00 O ATOM 186 CB VAL A 12 105.849 -10.206 5.585 1.00 0.00 C ATOM 187 CG1 VAL A 12 105.573 -10.965 4.296 1.00 0.00 C ATOM 188 CG2 VAL A 12 104.552 -9.702 6.199 1.00 0.00 C ATOM 0 H VAL A 12 107.015 -9.395 7.753 1.00 0.00 H new ATOM 0 HA VAL A 12 106.024 -11.975 6.794 1.00 0.00 H new ATOM 0 HB VAL A 12 106.472 -9.345 5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 12 105.027 -10.322 3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 12 106.517 -11.267 3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 12 104.976 -11.850 4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 12 104.023 -9.083 5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 12 103.927 -10.551 6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 12 104.776 -9.110 7.087 1.00 0.00 H new ATOM 198 N TRP A 13 108.769 -10.493 5.653 1.00 0.00 N ATOM 199 CA TRP A 13 110.086 -10.723 5.082 1.00 0.00 C ATOM 200 C TRP A 13 111.096 -9.810 5.764 1.00 0.00 C ATOM 201 O TRP A 13 110.775 -8.672 6.106 1.00 0.00 O ATOM 202 CB TRP A 13 110.061 -10.467 3.571 1.00 0.00 C ATOM 203 CG TRP A 13 111.242 -11.034 2.843 1.00 0.00 C ATOM 204 CD1 TRP A 13 112.355 -10.360 2.429 1.00 0.00 C ATOM 205 CD2 TRP A 13 111.425 -12.398 2.441 1.00 0.00 C ATOM 206 NE1 TRP A 13 113.218 -11.220 1.796 1.00 0.00 N ATOM 207 CE2 TRP A 13 112.669 -12.476 1.789 1.00 0.00 C ATOM 208 CE3 TRP A 13 110.659 -13.561 2.572 1.00 0.00 C ATOM 209 CZ2 TRP A 13 113.164 -13.669 1.272 1.00 0.00 C ATOM 210 CZ3 TRP A 13 111.150 -14.743 2.054 1.00 0.00 C ATOM 211 CH2 TRP A 13 112.393 -14.790 1.411 1.00 0.00 C ATOM 0 H TRP A 13 108.531 -9.508 5.770 1.00 0.00 H new ATOM 0 HA TRP A 13 110.377 -11.761 5.245 1.00 0.00 H new ATOM 0 HB2 TRP A 13 109.149 -10.895 3.154 1.00 0.00 H new ATOM 0 HB3 TRP A 13 110.019 -9.392 3.394 1.00 0.00 H new ATOM 0 HD1 TRP A 13 112.531 -9.305 2.578 1.00 0.00 H new ATOM 0 HE1 TRP A 13 114.121 -10.966 1.396 1.00 0.00 H new ATOM 0 HE3 TRP A 13 109.701 -13.535 3.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 114.124 -13.708 0.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 110.566 -15.646 2.146 1.00 0.00 H new ATOM 0 HH2 TRP A 13 112.750 -15.730 1.017 1.00 0.00 H new ATOM 222 N SER A 14 112.305 -10.298 5.975 1.00 0.00 N ATOM 223 CA SER A 14 113.312 -9.525 6.679 1.00 0.00 C ATOM 224 C SER A 14 114.568 -9.332 5.836 1.00 0.00 C ATOM 225 O SER A 14 114.740 -9.960 4.788 1.00 0.00 O ATOM 226 CB SER A 14 113.659 -10.212 8.000 1.00 0.00 C ATOM 227 OG SER A 14 113.934 -11.586 7.798 1.00 0.00 O ATOM 0 H SER A 14 112.613 -11.222 5.671 1.00 0.00 H new ATOM 0 HA SER A 14 112.899 -8.536 6.880 1.00 0.00 H new ATOM 0 HB2 SER A 14 114.524 -9.726 8.451 1.00 0.00 H new ATOM 0 HB3 SER A 14 112.831 -10.102 8.700 1.00 0.00 H new ATOM 0 HG SER A 14 114.155 -12.005 8.656 1.00 0.00 H new ATOM 233 N TRP A 15 115.444 -8.450 6.307 1.00 0.00 N ATOM 234 CA TRP A 15 116.713 -8.185 5.645 1.00 0.00 C ATOM 235 C TRP A 15 117.623 -9.399 5.770 1.00 0.00 C ATOM 236 O TRP A 15 118.405 -9.700 4.873 1.00 0.00 O ATOM 237 CB TRP A 15 117.372 -6.950 6.271 1.00 0.00 C ATOM 238 CG TRP A 15 118.721 -6.610 5.707 1.00 0.00 C ATOM 239 CD1 TRP A 15 119.925 -6.719 6.344 1.00 0.00 C ATOM 240 CD2 TRP A 15 119.006 -6.096 4.401 1.00 0.00 C ATOM 241 NE1 TRP A 15 120.938 -6.304 5.517 1.00 0.00 N ATOM 242 CE2 TRP A 15 120.401 -5.918 4.317 1.00 0.00 C ATOM 243 CE3 TRP A 15 118.220 -5.771 3.293 1.00 0.00 C ATOM 244 CZ2 TRP A 15 121.021 -5.429 3.172 1.00 0.00 C ATOM 245 CZ3 TRP A 15 118.839 -5.285 2.158 1.00 0.00 C ATOM 246 CH2 TRP A 15 120.227 -5.119 2.104 1.00 0.00 C ATOM 0 H TRP A 15 115.294 -7.902 7.154 1.00 0.00 H new ATOM 0 HA TRP A 15 116.539 -7.990 4.587 1.00 0.00 H new ATOM 0 HB2 TRP A 15 116.710 -6.094 6.138 1.00 0.00 H new ATOM 0 HB3 TRP A 15 117.471 -7.112 7.344 1.00 0.00 H new ATOM 0 HD1 TRP A 15 120.060 -7.080 7.353 1.00 0.00 H new ATOM 0 HE1 TRP A 15 121.929 -6.286 5.756 1.00 0.00 H new ATOM 0 HE3 TRP A 15 117.148 -5.897 3.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 122.092 -5.299 3.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 118.241 -5.028 1.296 1.00 0.00 H new ATOM 0 HH2 TRP A 15 120.680 -4.738 1.200 1.00 0.00 H new ATOM 257 N ASP A 16 117.488 -10.097 6.890 1.00 0.00 N ATOM 258 CA ASP A 16 118.244 -11.316 7.151 1.00 0.00 C ATOM 259 C ASP A 16 117.994 -12.345 6.058 1.00 0.00 C ATOM 260 O ASP A 16 118.921 -13.001 5.586 1.00 0.00 O ATOM 261 CB ASP A 16 117.851 -11.894 8.514 1.00 0.00 C ATOM 262 CG ASP A 16 118.144 -10.940 9.657 1.00 0.00 C ATOM 263 OD1 ASP A 16 117.457 -9.900 9.766 1.00 0.00 O ATOM 264 OD2 ASP A 16 119.058 -11.232 10.461 1.00 0.00 O ATOM 0 H ASP A 16 116.852 -9.835 7.643 1.00 0.00 H new ATOM 0 HA ASP A 16 119.306 -11.070 7.159 1.00 0.00 H new ATOM 0 HB2 ASP A 16 116.788 -12.135 8.510 1.00 0.00 H new ATOM 0 HB3 ASP A 16 118.389 -12.828 8.678 1.00 0.00 H new ATOM 269 N GLN A 17 116.734 -12.466 5.649 1.00 0.00 N ATOM 270 CA GLN A 17 116.360 -13.383 4.577 1.00 0.00 C ATOM 271 C GLN A 17 116.980 -12.952 3.249 1.00 0.00 C ATOM 272 O GLN A 17 117.384 -13.788 2.441 1.00 0.00 O ATOM 273 CB GLN A 17 114.838 -13.460 4.439 1.00 0.00 C ATOM 274 CG GLN A 17 114.130 -14.072 5.641 1.00 0.00 C ATOM 275 CD GLN A 17 114.458 -15.542 5.847 1.00 0.00 C ATOM 276 OE1 GLN A 17 115.553 -16.006 5.532 1.00 0.00 O ATOM 277 NE2 GLN A 17 113.501 -16.291 6.368 1.00 0.00 N ATOM 0 H GLN A 17 115.954 -11.940 6.044 1.00 0.00 H new ATOM 0 HA GLN A 17 116.742 -14.371 4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 17 114.448 -12.455 4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 17 114.594 -14.045 3.552 1.00 0.00 H new ATOM 0 HG2 GLN A 17 114.405 -13.516 6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 17 113.053 -13.961 5.515 1.00 0.00 H new ATOM 0 HE21 GLN A 17 112.605 -15.873 6.618 1.00 0.00 H new ATOM 0 HE22 GLN A 17 113.659 -17.287 6.520 1.00 0.00 H new ATOM 286 N GLN A 18 117.053 -11.645 3.029 1.00 0.00 N ATOM 287 CA GLN A 18 117.685 -11.107 1.828 1.00 0.00 C ATOM 288 C GLN A 18 119.169 -11.445 1.805 1.00 0.00 C ATOM 289 O GLN A 18 119.689 -11.905 0.791 1.00 0.00 O ATOM 290 CB GLN A 18 117.494 -9.591 1.746 1.00 0.00 C ATOM 291 CG GLN A 18 116.407 -9.157 0.777 1.00 0.00 C ATOM 292 CD GLN A 18 116.691 -9.578 -0.653 1.00 0.00 C ATOM 293 OE1 GLN A 18 117.841 -9.733 -1.056 1.00 0.00 O ATOM 294 NE2 GLN A 18 115.642 -9.747 -1.438 1.00 0.00 N ATOM 0 H GLN A 18 116.683 -10.938 3.665 1.00 0.00 H new ATOM 0 HA GLN A 18 117.206 -11.566 0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 18 117.254 -9.211 2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 18 118.437 -9.132 1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 18 115.454 -9.581 1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 18 116.302 -8.073 0.818 1.00 0.00 H new ATOM 0 HE21 GLN A 18 114.701 -9.610 -1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 18 115.773 -10.015 -2.413 1.00 0.00 H new ATOM 303 N VAL A 19 119.842 -11.224 2.931 1.00 0.00 N ATOM 304 CA VAL A 19 121.267 -11.520 3.051 1.00 0.00 C ATOM 305 C VAL A 19 121.526 -13.017 2.880 1.00 0.00 C ATOM 306 O VAL A 19 122.545 -13.421 2.320 1.00 0.00 O ATOM 307 CB VAL A 19 121.833 -11.048 4.411 1.00 0.00 C ATOM 308 CG1 VAL A 19 123.319 -11.366 4.525 1.00 0.00 C ATOM 309 CG2 VAL A 19 121.596 -9.558 4.595 1.00 0.00 C ATOM 0 H VAL A 19 119.421 -10.839 3.777 1.00 0.00 H new ATOM 0 HA VAL A 19 121.777 -10.974 2.257 1.00 0.00 H new ATOM 0 HB VAL A 19 121.309 -11.587 5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 19 123.691 -11.024 5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 19 123.468 -12.442 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 19 123.862 -10.860 3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 19 122.000 -9.241 5.557 1.00 0.00 H new ATOM 0 HG22 VAL A 19 122.092 -9.009 3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 19 120.526 -9.354 4.566 1.00 0.00 H new ATOM 319 N ALA A 20 120.589 -13.831 3.357 1.00 0.00 N ATOM 320 CA ALA A 20 120.682 -15.278 3.209 1.00 0.00 C ATOM 321 C ALA A 20 120.715 -15.675 1.736 1.00 0.00 C ATOM 322 O ALA A 20 121.406 -16.623 1.354 1.00 0.00 O ATOM 323 CB ALA A 20 119.519 -15.959 3.914 1.00 0.00 C ATOM 0 H ALA A 20 119.755 -13.511 3.850 1.00 0.00 H new ATOM 0 HA ALA A 20 121.613 -15.607 3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 20 119.603 -17.039 3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 20 119.540 -15.709 4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 20 118.580 -15.618 3.479 1.00 0.00 H new ATOM 329 N LYS A 21 119.965 -14.948 0.912 1.00 0.00 N ATOM 330 CA LYS A 21 119.949 -15.196 -0.523 1.00 0.00 C ATOM 331 C LYS A 21 121.124 -14.501 -1.191 1.00 0.00 C ATOM 332 O LYS A 21 121.772 -15.067 -2.072 1.00 0.00 O ATOM 333 CB LYS A 21 118.633 -14.720 -1.148 1.00 0.00 C ATOM 334 CG LYS A 21 117.406 -15.306 -0.476 1.00 0.00 C ATOM 335 CD LYS A 21 116.134 -15.047 -1.271 1.00 0.00 C ATOM 336 CE LYS A 21 115.944 -16.083 -2.368 1.00 0.00 C ATOM 337 NZ LYS A 21 114.756 -15.785 -3.212 1.00 0.00 N ATOM 0 H LYS A 21 119.362 -14.184 1.215 1.00 0.00 H new ATOM 0 HA LYS A 21 120.034 -16.271 -0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 21 118.585 -13.632 -1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 21 118.623 -14.987 -2.205 1.00 0.00 H new ATOM 0 HG2 LYS A 21 117.541 -16.380 -0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 21 117.302 -14.879 0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 21 115.275 -15.063 -0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 21 116.175 -14.051 -1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 21 116.835 -16.116 -2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 21 115.833 -17.070 -1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 114.601 -16.565 -3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 113.918 -15.678 -2.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 114.917 -14.903 -3.739 1.00 0.00 H new ATOM 351 N GLY A 22 121.390 -13.273 -0.764 1.00 0.00 N ATOM 352 CA GLY A 22 122.501 -12.510 -1.295 1.00 0.00 C ATOM 353 C GLY A 22 122.339 -12.203 -2.768 1.00 0.00 C ATOM 354 O GLY A 22 121.639 -11.265 -3.145 1.00 0.00 O ATOM 0 H GLY A 22 120.847 -12.787 -0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 22 122.595 -11.576 -0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 22 123.426 -13.066 -1.142 1.00 0.00 H new ATOM 358 N ALA A 23 122.962 -13.022 -3.601 1.00 0.00 N ATOM 359 CA ALA A 23 122.942 -12.813 -5.038 1.00 0.00 C ATOM 360 C ALA A 23 121.814 -13.599 -5.698 1.00 0.00 C ATOM 361 O ALA A 23 121.717 -13.640 -6.926 1.00 0.00 O ATOM 362 CB ALA A 23 124.284 -13.203 -5.643 1.00 0.00 C ATOM 0 H ALA A 23 123.490 -13.842 -3.303 1.00 0.00 H new ATOM 0 HA ALA A 23 122.762 -11.754 -5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 23 124.258 -13.042 -6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 23 125.072 -12.592 -5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 23 124.484 -14.255 -5.438 1.00 0.00 H new ATOM 368 N ALA A 24 120.963 -14.230 -4.891 1.00 0.00 N ATOM 369 CA ALA A 24 119.843 -14.983 -5.433 1.00 0.00 C ATOM 370 C ALA A 24 118.707 -14.048 -5.818 1.00 0.00 C ATOM 371 O ALA A 24 118.027 -14.265 -6.820 1.00 0.00 O ATOM 372 CB ALA A 24 119.363 -16.024 -4.433 1.00 0.00 C ATOM 0 H ALA A 24 121.029 -14.233 -3.873 1.00 0.00 H new ATOM 0 HA ALA A 24 120.181 -15.501 -6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 24 118.525 -16.577 -4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 24 120.176 -16.714 -4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 24 119.044 -15.528 -3.516 1.00 0.00 H new ATOM 378 N GLY A 25 118.519 -13.001 -5.022 1.00 0.00 N ATOM 379 CA GLY A 25 117.460 -12.046 -5.288 1.00 0.00 C ATOM 380 C GLY A 25 116.124 -12.524 -4.760 1.00 0.00 C ATOM 381 O GLY A 25 116.006 -13.660 -4.302 1.00 0.00 O ATOM 0 H GLY A 25 119.082 -12.797 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 25 117.710 -11.089 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 25 117.386 -11.875 -6.362 1.00 0.00 H new ATOM 385 N GLU A 26 115.123 -11.664 -4.812 1.00 0.00 N ATOM 386 CA GLU A 26 113.789 -12.017 -4.359 1.00 0.00 C ATOM 387 C GLU A 26 112.754 -11.148 -5.059 1.00 0.00 C ATOM 388 O GLU A 26 112.912 -9.928 -5.151 1.00 0.00 O ATOM 389 CB GLU A 26 113.672 -11.866 -2.839 1.00 0.00 C ATOM 390 CG GLU A 26 112.372 -12.413 -2.275 1.00 0.00 C ATOM 391 CD GLU A 26 112.153 -13.865 -2.648 1.00 0.00 C ATOM 392 OE1 GLU A 26 112.688 -14.752 -1.948 1.00 0.00 O ATOM 393 OE2 GLU A 26 111.462 -14.127 -3.653 1.00 0.00 O ATOM 0 H GLU A 26 115.209 -10.711 -5.165 1.00 0.00 H new ATOM 0 HA GLU A 26 113.604 -13.061 -4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 26 114.509 -12.379 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 26 113.756 -10.811 -2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 26 112.379 -12.316 -1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 26 111.538 -11.815 -2.643 1.00 0.00 H new ATOM 400 N ALA A 27 111.696 -11.779 -5.543 1.00 0.00 N ATOM 401 CA ALA A 27 110.670 -11.080 -6.295 1.00 0.00 C ATOM 402 C ALA A 27 109.672 -10.412 -5.361 1.00 0.00 C ATOM 403 O ALA A 27 108.940 -11.083 -4.630 1.00 0.00 O ATOM 404 CB ALA A 27 109.962 -12.039 -7.240 1.00 0.00 C ATOM 0 H ALA A 27 111.526 -12.778 -5.427 1.00 0.00 H new ATOM 0 HA ALA A 27 111.150 -10.301 -6.887 1.00 0.00 H new ATOM 0 HB1 ALA A 27 109.195 -11.501 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 27 110.685 -12.464 -7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 27 109.498 -12.840 -6.665 1.00 0.00 H new ATOM 410 N TRP A 28 109.657 -9.085 -5.382 1.00 0.00 N ATOM 411 CA TRP A 28 108.737 -8.306 -4.564 1.00 0.00 C ATOM 412 C TRP A 28 107.336 -8.360 -5.176 1.00 0.00 C ATOM 413 O TRP A 28 106.902 -7.430 -5.856 1.00 0.00 O ATOM 414 CB TRP A 28 109.247 -6.861 -4.467 1.00 0.00 C ATOM 415 CG TRP A 28 108.718 -6.089 -3.295 1.00 0.00 C ATOM 416 CD1 TRP A 28 108.005 -4.923 -3.335 1.00 0.00 C ATOM 417 CD2 TRP A 28 108.877 -6.417 -1.908 1.00 0.00 C ATOM 418 NE1 TRP A 28 107.717 -4.503 -2.058 1.00 0.00 N ATOM 419 CE2 TRP A 28 108.237 -5.406 -1.165 1.00 0.00 C ATOM 420 CE3 TRP A 28 109.496 -7.470 -1.221 1.00 0.00 C ATOM 421 CZ2 TRP A 28 108.199 -5.418 0.228 1.00 0.00 C ATOM 422 CZ3 TRP A 28 109.459 -7.477 0.161 1.00 0.00 C ATOM 423 CH2 TRP A 28 108.814 -6.457 0.873 1.00 0.00 C ATOM 0 H TRP A 28 110.278 -8.522 -5.963 1.00 0.00 H new ATOM 0 HA TRP A 28 108.683 -8.722 -3.558 1.00 0.00 H new ATOM 0 HB2 TRP A 28 110.336 -6.877 -4.413 1.00 0.00 H new ATOM 0 HB3 TRP A 28 108.981 -6.333 -5.383 1.00 0.00 H new ATOM 0 HD1 TRP A 28 107.711 -4.408 -4.237 1.00 0.00 H new ATOM 0 HE1 TRP A 28 107.201 -3.658 -1.814 1.00 0.00 H new ATOM 0 HE3 TRP A 28 109.993 -8.262 -1.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 107.701 -4.634 0.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 109.935 -8.282 0.701 1.00 0.00 H new ATOM 0 HH2 TRP A 28 108.802 -6.491 1.952 1.00 0.00 H new ATOM 434 N THR A 29 106.658 -9.481 -4.963 1.00 0.00 N ATOM 435 CA THR A 29 105.372 -9.747 -5.593 1.00 0.00 C ATOM 436 C THR A 29 104.201 -9.450 -4.663 1.00 0.00 C ATOM 437 O THR A 29 104.269 -9.709 -3.459 1.00 0.00 O ATOM 438 CB THR A 29 105.279 -11.225 -6.032 1.00 0.00 C ATOM 439 OG1 THR A 29 105.639 -12.081 -4.936 1.00 0.00 O ATOM 440 CG2 THR A 29 106.185 -11.510 -7.220 1.00 0.00 C ATOM 0 H THR A 29 106.983 -10.229 -4.350 1.00 0.00 H new ATOM 0 HA THR A 29 105.310 -9.086 -6.458 1.00 0.00 H new ATOM 0 HB THR A 29 104.250 -11.422 -6.334 1.00 0.00 H new ATOM 0 HG1 THR A 29 105.577 -13.017 -5.218 1.00 0.00 H new ATOM 0 HG21 THR A 29 106.095 -12.559 -7.503 1.00 0.00 H new ATOM 0 HG22 THR A 29 105.892 -10.881 -8.060 1.00 0.00 H new ATOM 0 HG23 THR A 29 107.219 -11.295 -6.949 1.00 0.00 H new ATOM 448 N GLY A 30 103.124 -8.921 -5.228 1.00 0.00 N ATOM 449 CA GLY A 30 101.897 -8.751 -4.473 1.00 0.00 C ATOM 450 C GLY A 30 101.723 -7.360 -3.903 1.00 0.00 C ATOM 451 O GLY A 30 101.186 -7.199 -2.806 1.00 0.00 O ATOM 0 H GLY A 30 103.078 -8.606 -6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 30 101.049 -8.979 -5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 30 101.879 -9.474 -3.657 1.00 0.00 H new ATOM 455 N VAL A 31 102.165 -6.351 -4.641 1.00 0.00 N ATOM 456 CA VAL A 31 101.983 -4.974 -4.209 1.00 0.00 C ATOM 457 C VAL A 31 100.551 -4.514 -4.477 1.00 0.00 C ATOM 458 O VAL A 31 100.184 -4.172 -5.598 1.00 0.00 O ATOM 459 CB VAL A 31 102.994 -4.011 -4.875 1.00 0.00 C ATOM 460 CG1 VAL A 31 104.387 -4.246 -4.312 1.00 0.00 C ATOM 461 CG2 VAL A 31 103.003 -4.173 -6.390 1.00 0.00 C ATOM 0 H VAL A 31 102.648 -6.459 -5.533 1.00 0.00 H new ATOM 0 HA VAL A 31 102.172 -4.947 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 31 102.684 -2.990 -4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 31 105.091 -3.563 -4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 31 104.379 -4.069 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 31 104.690 -5.274 -4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 31 103.724 -3.481 -6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 31 103.281 -5.196 -6.645 1.00 0.00 H new ATOM 0 HG23 VAL A 31 102.010 -3.958 -6.785 1.00 0.00 H new ATOM 471 N ARG A 32 99.738 -4.526 -3.433 1.00 0.00 N ATOM 472 CA ARG A 32 98.328 -4.173 -3.554 1.00 0.00 C ATOM 473 C ARG A 32 98.123 -2.661 -3.466 1.00 0.00 C ATOM 474 O ARG A 32 97.011 -2.183 -3.247 1.00 0.00 O ATOM 475 CB ARG A 32 97.512 -4.892 -2.476 1.00 0.00 C ATOM 476 CG ARG A 32 97.934 -4.560 -1.054 1.00 0.00 C ATOM 477 CD ARG A 32 97.342 -5.540 -0.051 1.00 0.00 C ATOM 478 NE ARG A 32 95.879 -5.537 -0.058 1.00 0.00 N ATOM 479 CZ ARG A 32 95.129 -6.595 -0.372 1.00 0.00 C ATOM 480 NH1 ARG A 32 95.696 -7.735 -0.758 1.00 0.00 N ATOM 481 NH2 ARG A 32 93.808 -6.508 -0.300 1.00 0.00 N ATOM 0 H ARG A 32 100.029 -4.777 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 32 97.980 -4.496 -4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 32 96.460 -4.636 -2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 32 97.598 -5.968 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 32 99.022 -4.578 -0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 32 97.615 -3.548 -0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 32 97.701 -6.545 -0.275 1.00 0.00 H new ATOM 0 HD3 ARG A 32 97.697 -5.290 0.949 1.00 0.00 H new ATOM 0 HE ARG A 32 95.402 -4.671 0.193 1.00 0.00 H new ATOM 0 HH11 ARG A 32 96.712 -7.805 -0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 32 95.115 -8.539 -0.996 1.00 0.00 H new ATOM 0 HH21 ARG A 32 93.370 -5.635 -0.006 1.00 0.00 H new ATOM 0 HH22 ARG A 32 93.230 -7.314 -0.539 1.00 0.00 H new ATOM 495 N ASN A 33 99.203 -1.917 -3.650 1.00 0.00 N ATOM 496 CA ASN A 33 99.141 -0.464 -3.656 1.00 0.00 C ATOM 497 C ASN A 33 99.430 0.051 -5.059 1.00 0.00 C ATOM 498 O ASN A 33 100.434 -0.315 -5.669 1.00 0.00 O ATOM 499 CB ASN A 33 100.142 0.118 -2.654 1.00 0.00 C ATOM 500 CG ASN A 33 100.041 1.627 -2.539 1.00 0.00 C ATOM 501 OD1 ASN A 33 100.712 2.362 -3.263 1.00 0.00 O ATOM 502 ND2 ASN A 33 99.205 2.095 -1.624 1.00 0.00 N ATOM 0 H ASN A 33 100.137 -2.298 -3.798 1.00 0.00 H new ATOM 0 HA ASN A 33 98.141 -0.147 -3.359 1.00 0.00 H new ATOM 0 HB2 ASN A 33 99.972 -0.330 -1.675 1.00 0.00 H new ATOM 0 HB3 ASN A 33 101.153 -0.153 -2.957 1.00 0.00 H new ATOM 0 HD21 ASN A 33 99.098 3.102 -1.498 1.00 0.00 H new ATOM 0 HD22 ASN A 33 98.668 1.449 -1.045 1.00 0.00 H new ATOM 509 N HIS A 34 98.551 0.900 -5.569 1.00 0.00 N ATOM 510 CA HIS A 34 98.636 1.337 -6.954 1.00 0.00 C ATOM 511 C HIS A 34 99.724 2.380 -7.157 1.00 0.00 C ATOM 512 O HIS A 34 100.401 2.375 -8.181 1.00 0.00 O ATOM 513 CB HIS A 34 97.285 1.864 -7.437 1.00 0.00 C ATOM 514 CG HIS A 34 96.347 0.775 -7.854 1.00 0.00 C ATOM 515 ND1 HIS A 34 95.449 0.174 -6.997 1.00 0.00 N ATOM 516 CD2 HIS A 34 96.192 0.158 -9.049 1.00 0.00 C ATOM 517 CE1 HIS A 34 94.790 -0.767 -7.645 1.00 0.00 C ATOM 518 NE2 HIS A 34 95.221 -0.796 -8.889 1.00 0.00 N ATOM 0 H HIS A 34 97.772 1.300 -5.046 1.00 0.00 H new ATOM 0 HA HIS A 34 98.906 0.467 -7.553 1.00 0.00 H new ATOM 0 HB2 HIS A 34 96.824 2.448 -6.641 1.00 0.00 H new ATOM 0 HB3 HIS A 34 97.444 2.540 -8.277 1.00 0.00 H new ATOM 0 HD2 HIS A 34 96.732 0.377 -9.958 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.026 -1.406 -7.226 1.00 0.00 H new ATOM 0 HE2 HIS A 34 94.886 -1.427 -9.617 1.00 0.00 H new ATOM 527 N SER A 35 99.907 3.257 -6.182 1.00 0.00 N ATOM 528 CA SER A 35 100.969 4.251 -6.263 1.00 0.00 C ATOM 529 C SER A 35 102.327 3.547 -6.299 1.00 0.00 C ATOM 530 O SER A 35 103.232 3.945 -7.033 1.00 0.00 O ATOM 531 CB SER A 35 100.889 5.220 -5.081 1.00 0.00 C ATOM 532 OG SER A 35 101.802 6.296 -5.232 1.00 0.00 O ATOM 0 H SER A 35 99.342 3.302 -5.334 1.00 0.00 H new ATOM 0 HA SER A 35 100.848 4.830 -7.178 1.00 0.00 H new ATOM 0 HB2 SER A 35 99.875 5.610 -4.996 1.00 0.00 H new ATOM 0 HB3 SER A 35 101.103 4.686 -4.155 1.00 0.00 H new ATOM 0 HG SER A 35 101.727 6.899 -4.463 1.00 0.00 H new ATOM 538 N ALA A 36 102.446 2.481 -5.512 1.00 0.00 N ATOM 539 CA ALA A 36 103.643 1.654 -5.514 1.00 0.00 C ATOM 540 C ALA A 36 103.858 1.034 -6.889 1.00 0.00 C ATOM 541 O ALA A 36 104.960 1.089 -7.434 1.00 0.00 O ATOM 542 CB ALA A 36 103.537 0.572 -4.450 1.00 0.00 C ATOM 0 H ALA A 36 101.723 2.171 -4.863 1.00 0.00 H new ATOM 0 HA ALA A 36 104.503 2.283 -5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 36 104.439 -0.040 -4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 36 103.426 1.035 -3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 36 102.670 -0.056 -4.655 1.00 0.00 H new ATOM 548 N LYS A 37 102.785 0.473 -7.450 1.00 0.00 N ATOM 549 CA LYS A 37 102.821 -0.148 -8.775 1.00 0.00 C ATOM 550 C LYS A 37 103.435 0.795 -9.808 1.00 0.00 C ATOM 551 O LYS A 37 104.376 0.427 -10.510 1.00 0.00 O ATOM 552 CB LYS A 37 101.403 -0.553 -9.209 1.00 0.00 C ATOM 553 CG LYS A 37 101.310 -1.088 -10.635 1.00 0.00 C ATOM 554 CD LYS A 37 99.861 -1.336 -11.038 1.00 0.00 C ATOM 555 CE LYS A 37 99.729 -1.693 -12.516 1.00 0.00 C ATOM 556 NZ LYS A 37 100.303 -3.028 -12.834 1.00 0.00 N ATOM 0 H LYS A 37 101.870 0.436 -7.001 1.00 0.00 H new ATOM 0 HA LYS A 37 103.445 -1.039 -8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.029 -1.313 -8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 37 100.746 0.312 -9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 37 101.765 -0.376 -11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 37 101.876 -2.016 -10.716 1.00 0.00 H new ATOM 0 HD2 LYS A 37 99.450 -2.144 -10.432 1.00 0.00 H new ATOM 0 HD3 LYS A 37 99.269 -0.446 -10.826 1.00 0.00 H new ATOM 0 HE2 LYS A 37 98.676 -1.678 -12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 37 100.230 -0.933 -13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 101.054 -2.922 -13.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 100.701 -3.449 -11.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 99.556 -3.647 -13.209 1.00 0.00 H new ATOM 570 N LEU A 38 102.916 2.018 -9.875 1.00 0.00 N ATOM 571 CA LEU A 38 103.383 3.000 -10.854 1.00 0.00 C ATOM 572 C LEU A 38 104.857 3.345 -10.649 1.00 0.00 C ATOM 573 O LEU A 38 105.590 3.557 -11.616 1.00 0.00 O ATOM 574 CB LEU A 38 102.532 4.273 -10.794 1.00 0.00 C ATOM 575 CG LEU A 38 101.263 4.268 -11.660 1.00 0.00 C ATOM 576 CD1 LEU A 38 100.287 3.192 -11.208 1.00 0.00 C ATOM 577 CD2 LEU A 38 100.601 5.635 -11.635 1.00 0.00 C ATOM 0 H LEU A 38 102.172 2.354 -9.264 1.00 0.00 H new ATOM 0 HA LEU A 38 103.277 2.549 -11.841 1.00 0.00 H new ATOM 0 HB2 LEU A 38 102.242 4.445 -9.758 1.00 0.00 H new ATOM 0 HB3 LEU A 38 103.152 5.117 -11.096 1.00 0.00 H new ATOM 0 HG LEU A 38 101.557 4.039 -12.685 1.00 0.00 H new ATOM 0 HD11 LEU A 38 99.400 3.216 -11.841 1.00 0.00 H new ATOM 0 HD12 LEU A 38 100.762 2.214 -11.285 1.00 0.00 H new ATOM 0 HD13 LEU A 38 99.998 3.374 -10.173 1.00 0.00 H new ATOM 0 HD21 LEU A 38 99.703 5.616 -12.253 1.00 0.00 H new ATOM 0 HD22 LEU A 38 100.331 5.890 -10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 38 101.293 6.382 -12.024 1.00 0.00 H new ATOM 589 N HIS A 39 105.293 3.388 -9.396 1.00 0.00 N ATOM 590 CA HIS A 39 106.687 3.702 -9.089 1.00 0.00 C ATOM 591 C HIS A 39 107.599 2.538 -9.455 1.00 0.00 C ATOM 592 O HIS A 39 108.745 2.735 -9.856 1.00 0.00 O ATOM 593 CB HIS A 39 106.863 4.063 -7.609 1.00 0.00 C ATOM 594 CG HIS A 39 106.237 5.370 -7.216 1.00 0.00 C ATOM 595 ND1 HIS A 39 106.268 6.492 -8.015 1.00 0.00 N ATOM 596 CD2 HIS A 39 105.565 5.731 -6.097 1.00 0.00 C ATOM 597 CE1 HIS A 39 105.650 7.484 -7.404 1.00 0.00 C ATOM 598 NE2 HIS A 39 105.212 7.050 -6.239 1.00 0.00 N ATOM 0 H HIS A 39 104.708 3.211 -8.580 1.00 0.00 H new ATOM 0 HA HIS A 39 106.967 4.568 -9.689 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.432 3.269 -6.999 1.00 0.00 H new ATOM 0 HB3 HIS A 39 107.928 4.099 -7.380 1.00 0.00 H new ATOM 0 HD2 HIS A 39 105.347 5.098 -5.249 1.00 0.00 H new ATOM 0 HE1 HIS A 39 105.524 8.484 -7.793 1.00 0.00 H new ATOM 0 HE2 HIS A 39 104.696 7.603 -5.555 1.00 0.00 H new ATOM 607 N MET A 40 107.079 1.326 -9.340 1.00 0.00 N ATOM 608 CA MET A 40 107.847 0.130 -9.663 1.00 0.00 C ATOM 609 C MET A 40 107.993 -0.028 -11.174 1.00 0.00 C ATOM 610 O MET A 40 108.902 -0.704 -11.652 1.00 0.00 O ATOM 611 CB MET A 40 107.186 -1.105 -9.054 1.00 0.00 C ATOM 612 CG MET A 40 107.160 -1.082 -7.535 1.00 0.00 C ATOM 613 SD MET A 40 106.158 -2.403 -6.830 1.00 0.00 S ATOM 614 CE MET A 40 107.060 -3.847 -7.378 1.00 0.00 C ATOM 0 H MET A 40 106.126 1.143 -9.025 1.00 0.00 H new ATOM 0 HA MET A 40 108.844 0.236 -9.236 1.00 0.00 H new ATOM 0 HB2 MET A 40 106.165 -1.184 -9.427 1.00 0.00 H new ATOM 0 HB3 MET A 40 107.718 -1.996 -9.388 1.00 0.00 H new ATOM 0 HG2 MET A 40 108.179 -1.166 -7.158 1.00 0.00 H new ATOM 0 HG3 MET A 40 106.773 -0.120 -7.198 1.00 0.00 H new ATOM 0 HE1 MET A 40 107.160 -4.549 -6.550 1.00 0.00 H new ATOM 0 HE2 MET A 40 106.520 -4.325 -8.196 1.00 0.00 H new ATOM 0 HE3 MET A 40 108.050 -3.548 -7.723 1.00 0.00 H new ATOM 624 N VAL A 41 107.098 0.612 -11.920 1.00 0.00 N ATOM 625 CA VAL A 41 107.175 0.618 -13.378 1.00 0.00 C ATOM 626 C VAL A 41 108.304 1.539 -13.849 1.00 0.00 C ATOM 627 O VAL A 41 108.830 1.390 -14.955 1.00 0.00 O ATOM 628 CB VAL A 41 105.831 1.064 -14.012 1.00 0.00 C ATOM 629 CG1 VAL A 41 105.919 1.106 -15.533 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.705 0.138 -13.580 1.00 0.00 C ATOM 0 H VAL A 41 106.309 1.134 -11.539 1.00 0.00 H new ATOM 0 HA VAL A 41 107.384 -0.401 -13.703 1.00 0.00 H new ATOM 0 HB VAL A 41 105.618 2.073 -13.658 1.00 0.00 H new ATOM 0 HG11 VAL A 41 104.960 1.422 -15.944 1.00 0.00 H new ATOM 0 HG12 VAL A 41 106.693 1.812 -15.833 1.00 0.00 H new ATOM 0 HG13 VAL A 41 106.166 0.114 -15.911 1.00 0.00 H new ATOM 0 HG21 VAL A 41 103.770 0.466 -14.034 1.00 0.00 H new ATOM 0 HG22 VAL A 41 104.927 -0.880 -13.901 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.610 0.163 -12.494 1.00 0.00 H new ATOM 640 N ALA A 42 108.683 2.483 -12.996 1.00 0.00 N ATOM 641 CA ALA A 42 109.739 3.431 -13.323 1.00 0.00 C ATOM 642 C ALA A 42 111.107 2.898 -12.908 1.00 0.00 C ATOM 643 O ALA A 42 112.140 3.451 -13.291 1.00 0.00 O ATOM 644 CB ALA A 42 109.466 4.771 -12.657 1.00 0.00 C ATOM 0 H ALA A 42 108.273 2.612 -12.071 1.00 0.00 H new ATOM 0 HA ALA A 42 109.748 3.569 -14.404 1.00 0.00 H new ATOM 0 HB1 ALA A 42 110.262 5.471 -12.909 1.00 0.00 H new ATOM 0 HB2 ALA A 42 108.512 5.164 -13.008 1.00 0.00 H new ATOM 0 HB3 ALA A 42 109.428 4.639 -11.576 1.00 0.00 H new ATOM 650 N MET A 43 111.104 1.826 -12.127 1.00 0.00 N ATOM 651 CA MET A 43 112.341 1.203 -11.665 1.00 0.00 C ATOM 652 C MET A 43 113.099 0.548 -12.816 1.00 0.00 C ATOM 653 O MET A 43 112.527 -0.221 -13.592 1.00 0.00 O ATOM 654 CB MET A 43 112.045 0.153 -10.594 1.00 0.00 C ATOM 655 CG MET A 43 111.526 0.730 -9.291 1.00 0.00 C ATOM 656 SD MET A 43 111.159 -0.545 -8.070 1.00 0.00 S ATOM 657 CE MET A 43 110.685 0.460 -6.669 1.00 0.00 C ATOM 0 H MET A 43 110.255 1.366 -11.798 1.00 0.00 H new ATOM 0 HA MET A 43 112.963 1.991 -11.242 1.00 0.00 H new ATOM 0 HB2 MET A 43 111.312 -0.553 -10.985 1.00 0.00 H new ATOM 0 HB3 MET A 43 112.955 -0.412 -10.392 1.00 0.00 H new ATOM 0 HG2 MET A 43 112.266 1.418 -8.882 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.625 1.311 -9.488 1.00 0.00 H new ATOM 0 HE1 MET A 43 110.073 -0.131 -5.988 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.579 0.804 -6.149 1.00 0.00 H new ATOM 0 HE3 MET A 43 110.114 1.321 -7.016 1.00 0.00 H new ATOM 667 N ARG A 44 114.379 0.866 -12.928 1.00 0.00 N ATOM 668 CA ARG A 44 115.247 0.230 -13.908 1.00 0.00 C ATOM 669 C ARG A 44 116.245 -0.689 -13.215 1.00 0.00 C ATOM 670 O ARG A 44 116.367 -0.683 -11.992 1.00 0.00 O ATOM 671 CB ARG A 44 116.000 1.272 -14.742 1.00 0.00 C ATOM 672 CG ARG A 44 115.283 1.682 -16.017 1.00 0.00 C ATOM 673 CD ARG A 44 113.942 2.332 -15.738 1.00 0.00 C ATOM 674 NE ARG A 44 113.264 2.727 -16.968 1.00 0.00 N ATOM 675 CZ ARG A 44 112.340 3.682 -17.037 1.00 0.00 C ATOM 676 NH1 ARG A 44 111.955 4.325 -15.941 1.00 0.00 N ATOM 677 NH2 ARG A 44 111.794 3.982 -18.205 1.00 0.00 N ATOM 0 H ARG A 44 114.843 1.566 -12.348 1.00 0.00 H new ATOM 0 HA ARG A 44 114.618 -0.358 -14.576 1.00 0.00 H new ATOM 0 HB2 ARG A 44 116.167 2.159 -14.131 1.00 0.00 H new ATOM 0 HB3 ARG A 44 116.981 0.874 -15.001 1.00 0.00 H new ATOM 0 HG2 ARG A 44 115.911 2.375 -16.578 1.00 0.00 H new ATOM 0 HG3 ARG A 44 115.135 0.805 -16.647 1.00 0.00 H new ATOM 0 HD2 ARG A 44 113.311 1.639 -15.182 1.00 0.00 H new ATOM 0 HD3 ARG A 44 114.087 3.208 -15.106 1.00 0.00 H new ATOM 0 HE ARG A 44 113.514 2.241 -17.829 1.00 0.00 H new ATOM 0 HH11 ARG A 44 112.368 4.088 -15.039 1.00 0.00 H new ATOM 0 HH12 ARG A 44 111.246 5.056 -16.001 1.00 0.00 H new ATOM 0 HH21 ARG A 44 112.082 3.482 -19.046 1.00 0.00 H new ATOM 0 HH22 ARG A 44 111.085 4.713 -18.264 1.00 0.00 H new ATOM 691 N ARG A 45 116.962 -1.469 -14.005 1.00 0.00 N ATOM 692 CA ARG A 45 117.934 -2.404 -13.468 1.00 0.00 C ATOM 693 C ARG A 45 119.220 -1.667 -13.107 1.00 0.00 C ATOM 694 O ARG A 45 119.942 -1.186 -13.984 1.00 0.00 O ATOM 695 CB ARG A 45 118.209 -3.510 -14.485 1.00 0.00 C ATOM 696 CG ARG A 45 118.911 -4.721 -13.899 1.00 0.00 C ATOM 697 CD ARG A 45 119.030 -5.838 -14.922 1.00 0.00 C ATOM 698 NE ARG A 45 117.750 -6.132 -15.568 1.00 0.00 N ATOM 699 CZ ARG A 45 117.346 -7.353 -15.905 1.00 0.00 C ATOM 700 NH1 ARG A 45 118.111 -8.404 -15.641 1.00 0.00 N ATOM 701 NH2 ARG A 45 116.169 -7.520 -16.491 1.00 0.00 N ATOM 0 H ARG A 45 116.889 -1.473 -15.022 1.00 0.00 H new ATOM 0 HA ARG A 45 117.534 -2.861 -12.563 1.00 0.00 H new ATOM 0 HB2 ARG A 45 117.264 -3.828 -14.926 1.00 0.00 H new ATOM 0 HB3 ARG A 45 118.818 -3.104 -15.293 1.00 0.00 H new ATOM 0 HG2 ARG A 45 119.904 -4.436 -13.552 1.00 0.00 H new ATOM 0 HG3 ARG A 45 118.359 -5.078 -13.029 1.00 0.00 H new ATOM 0 HD2 ARG A 45 119.762 -5.559 -15.680 1.00 0.00 H new ATOM 0 HD3 ARG A 45 119.404 -6.738 -14.434 1.00 0.00 H new ATOM 0 HE ARG A 45 117.128 -5.350 -15.773 1.00 0.00 H new ATOM 0 HH11 ARG A 45 119.011 -8.276 -15.179 1.00 0.00 H new ATOM 0 HH12 ARG A 45 117.799 -9.340 -15.900 1.00 0.00 H new ATOM 0 HH21 ARG A 45 115.576 -6.713 -16.682 1.00 0.00 H new ATOM 0 HH22 ARG A 45 115.857 -8.456 -16.751 1.00 0.00 H new ATOM 715 N GLY A 46 119.500 -1.577 -11.816 1.00 0.00 N ATOM 716 CA GLY A 46 120.613 -0.775 -11.360 1.00 0.00 C ATOM 717 C GLY A 46 120.162 0.327 -10.426 1.00 0.00 C ATOM 718 O GLY A 46 120.987 1.019 -9.818 1.00 0.00 O ATOM 0 H GLY A 46 118.976 -2.045 -11.077 1.00 0.00 H new ATOM 0 HA2 GLY A 46 121.336 -1.412 -10.850 1.00 0.00 H new ATOM 0 HA3 GLY A 46 121.123 -0.338 -12.219 1.00 0.00 H new ATOM 722 N ASP A 47 118.846 0.498 -10.323 1.00 0.00 N ATOM 723 CA ASP A 47 118.272 1.447 -9.378 1.00 0.00 C ATOM 724 C ASP A 47 118.346 0.871 -7.980 1.00 0.00 C ATOM 725 O ASP A 47 118.361 -0.349 -7.806 1.00 0.00 O ATOM 726 CB ASP A 47 116.819 1.780 -9.725 1.00 0.00 C ATOM 727 CG ASP A 47 116.692 2.694 -10.925 1.00 0.00 C ATOM 728 OD1 ASP A 47 117.687 3.357 -11.287 1.00 0.00 O ATOM 729 OD2 ASP A 47 115.594 2.762 -11.511 1.00 0.00 O ATOM 0 H ASP A 47 118.160 -0.008 -10.882 1.00 0.00 H new ATOM 0 HA ASP A 47 118.847 2.371 -9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 47 116.277 0.855 -9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 47 116.345 2.251 -8.864 1.00 0.00 H new ATOM 734 N ARG A 48 118.383 1.737 -6.984 1.00 0.00 N ATOM 735 CA ARG A 48 118.577 1.286 -5.618 1.00 0.00 C ATOM 736 C ARG A 48 117.481 1.800 -4.700 1.00 0.00 C ATOM 737 O ARG A 48 117.038 2.941 -4.814 1.00 0.00 O ATOM 738 CB ARG A 48 119.947 1.722 -5.101 1.00 0.00 C ATOM 739 CG ARG A 48 121.104 1.109 -5.867 1.00 0.00 C ATOM 740 CD ARG A 48 122.438 1.440 -5.226 1.00 0.00 C ATOM 741 NE ARG A 48 123.545 0.793 -5.920 1.00 0.00 N ATOM 742 CZ ARG A 48 124.310 -0.158 -5.385 1.00 0.00 C ATOM 743 NH1 ARG A 48 124.109 -0.553 -4.133 1.00 0.00 N ATOM 744 NH2 ARG A 48 125.281 -0.706 -6.103 1.00 0.00 N ATOM 0 H ARG A 48 118.282 2.746 -7.093 1.00 0.00 H new ATOM 0 HA ARG A 48 118.528 0.197 -5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 48 120.019 2.808 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 48 120.033 1.450 -4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 48 120.979 0.027 -5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 48 121.094 1.472 -6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 48 122.586 2.520 -5.231 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.429 1.125 -4.183 1.00 0.00 H new ATOM 0 HE ARG A 48 123.747 1.087 -6.876 1.00 0.00 H new ATOM 0 HH11 ARG A 48 123.367 -0.128 -3.577 1.00 0.00 H new ATOM 0 HH12 ARG A 48 124.697 -1.281 -3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 48 125.441 -0.399 -7.063 1.00 0.00 H new ATOM 0 HH22 ARG A 48 125.868 -1.434 -5.696 1.00 0.00 H new ATOM 758 N ALA A 49 117.057 0.941 -3.789 1.00 0.00 N ATOM 759 CA ALA A 49 116.033 1.283 -2.822 1.00 0.00 C ATOM 760 C ALA A 49 116.529 1.018 -1.406 1.00 0.00 C ATOM 761 O ALA A 49 117.416 0.188 -1.197 1.00 0.00 O ATOM 762 CB ALA A 49 114.764 0.488 -3.093 1.00 0.00 C ATOM 0 H ALA A 49 117.413 -0.011 -3.700 1.00 0.00 H new ATOM 0 HA ALA A 49 115.807 2.345 -2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 49 114.004 0.755 -2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 49 114.398 0.717 -4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 49 114.980 -0.578 -3.020 1.00 0.00 H new ATOM 768 N PHE A 50 115.960 1.724 -0.442 1.00 0.00 N ATOM 769 CA PHE A 50 116.295 1.511 0.957 1.00 0.00 C ATOM 770 C PHE A 50 115.381 0.459 1.559 1.00 0.00 C ATOM 771 O PHE A 50 114.160 0.514 1.388 1.00 0.00 O ATOM 772 CB PHE A 50 116.170 2.807 1.766 1.00 0.00 C ATOM 773 CG PHE A 50 117.356 3.721 1.666 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.644 3.227 1.795 1.00 0.00 C ATOM 775 CD2 PHE A 50 117.177 5.082 1.478 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.734 4.074 1.733 1.00 0.00 C ATOM 777 CE2 PHE A 50 118.264 5.932 1.413 1.00 0.00 C ATOM 778 CZ PHE A 50 119.543 5.429 1.541 1.00 0.00 C ATOM 0 H PHE A 50 115.263 2.451 -0.603 1.00 0.00 H new ATOM 0 HA PHE A 50 117.330 1.172 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.283 3.345 1.431 1.00 0.00 H new ATOM 0 HB3 PHE A 50 116.011 2.552 2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 50 118.798 2.169 1.946 1.00 0.00 H new ATOM 0 HD2 PHE A 50 116.178 5.482 1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.734 3.678 1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 50 118.113 6.991 1.262 1.00 0.00 H new ATOM 0 HZ PHE A 50 120.393 6.093 1.491 1.00 0.00 H new ATOM 788 N TYR A 51 115.972 -0.504 2.245 1.00 0.00 N ATOM 789 CA TYR A 51 115.205 -1.544 2.900 1.00 0.00 C ATOM 790 C TYR A 51 114.853 -1.111 4.319 1.00 0.00 C ATOM 791 O TYR A 51 115.686 -1.169 5.230 1.00 0.00 O ATOM 792 CB TYR A 51 115.985 -2.859 2.914 1.00 0.00 C ATOM 793 CG TYR A 51 115.128 -4.063 3.231 1.00 0.00 C ATOM 794 CD1 TYR A 51 114.928 -4.473 4.544 1.00 0.00 C ATOM 795 CD2 TYR A 51 114.511 -4.782 2.217 1.00 0.00 C ATOM 796 CE1 TYR A 51 114.144 -5.569 4.834 1.00 0.00 C ATOM 797 CE2 TYR A 51 113.722 -5.880 2.500 1.00 0.00 C ATOM 798 CZ TYR A 51 113.541 -6.266 3.810 1.00 0.00 C ATOM 799 OH TYR A 51 112.756 -7.354 4.100 1.00 0.00 O ATOM 0 H TYR A 51 116.982 -0.585 2.362 1.00 0.00 H new ATOM 0 HA TYR A 51 114.282 -1.706 2.343 1.00 0.00 H new ATOM 0 HB2 TYR A 51 116.456 -3.004 1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 51 116.787 -2.789 3.649 1.00 0.00 H new ATOM 0 HD1 TYR A 51 115.394 -3.924 5.349 1.00 0.00 H new ATOM 0 HD2 TYR A 51 114.650 -4.478 1.190 1.00 0.00 H new ATOM 0 HE1 TYR A 51 114.003 -5.880 5.859 1.00 0.00 H new ATOM 0 HE2 TYR A 51 113.251 -6.432 1.700 1.00 0.00 H new ATOM 0 HH TYR A 51 112.537 -7.354 5.055 1.00 0.00 H new ATOM 809 N TYR A 52 113.623 -0.657 4.490 1.00 0.00 N ATOM 810 CA TYR A 52 113.162 -0.137 5.768 1.00 0.00 C ATOM 811 C TYR A 52 112.260 -1.144 6.474 1.00 0.00 C ATOM 812 O TYR A 52 111.313 -1.668 5.883 1.00 0.00 O ATOM 813 CB TYR A 52 112.431 1.189 5.532 1.00 0.00 C ATOM 814 CG TYR A 52 111.665 1.724 6.723 1.00 0.00 C ATOM 815 CD1 TYR A 52 112.301 2.445 7.725 1.00 0.00 C ATOM 816 CD2 TYR A 52 110.294 1.519 6.834 1.00 0.00 C ATOM 817 CE1 TYR A 52 111.595 2.944 8.804 1.00 0.00 C ATOM 818 CE2 TYR A 52 109.582 2.016 7.908 1.00 0.00 C ATOM 819 CZ TYR A 52 110.235 2.727 8.890 1.00 0.00 C ATOM 820 OH TYR A 52 109.527 3.224 9.961 1.00 0.00 O ATOM 0 H TYR A 52 112.919 -0.638 3.752 1.00 0.00 H new ATOM 0 HA TYR A 52 114.020 0.037 6.418 1.00 0.00 H new ATOM 0 HB2 TYR A 52 113.161 1.938 5.224 1.00 0.00 H new ATOM 0 HB3 TYR A 52 111.736 1.060 4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 52 113.365 2.619 7.660 1.00 0.00 H new ATOM 0 HD2 TYR A 52 109.777 0.961 6.067 1.00 0.00 H new ATOM 0 HE1 TYR A 52 112.105 3.501 9.576 1.00 0.00 H new ATOM 0 HE2 TYR A 52 108.517 1.848 7.977 1.00 0.00 H new ATOM 0 HH TYR A 52 108.581 2.984 9.868 1.00 0.00 H new ATOM 830 N HIS A 53 112.569 -1.421 7.735 1.00 0.00 N ATOM 831 CA HIS A 53 111.754 -2.324 8.544 1.00 0.00 C ATOM 832 C HIS A 53 110.517 -1.596 9.044 1.00 0.00 C ATOM 833 O HIS A 53 110.623 -0.620 9.781 1.00 0.00 O ATOM 834 CB HIS A 53 112.542 -2.867 9.742 1.00 0.00 C ATOM 835 CG HIS A 53 113.677 -3.773 9.379 1.00 0.00 C ATOM 836 ND1 HIS A 53 114.640 -4.162 10.282 1.00 0.00 N ATOM 837 CD2 HIS A 53 114.003 -4.367 8.208 1.00 0.00 C ATOM 838 CE1 HIS A 53 115.512 -4.947 9.685 1.00 0.00 C ATOM 839 NE2 HIS A 53 115.152 -5.091 8.421 1.00 0.00 N ATOM 0 H HIS A 53 113.378 -1.034 8.221 1.00 0.00 H new ATOM 0 HA HIS A 53 111.462 -3.165 7.914 1.00 0.00 H new ATOM 0 HB2 HIS A 53 112.934 -2.026 10.314 1.00 0.00 H new ATOM 0 HB3 HIS A 53 111.858 -3.407 10.396 1.00 0.00 H new ATOM 0 HD1 HIS A 53 114.673 -3.885 11.263 1.00 0.00 H new ATOM 0 HD2 HIS A 53 113.461 -4.287 7.278 1.00 0.00 H new ATOM 0 HE1 HIS A 53 116.376 -5.398 10.150 1.00 0.00 H new ATOM 848 N SER A 54 109.353 -2.065 8.639 1.00 0.00 N ATOM 849 CA SER A 54 108.108 -1.423 9.020 1.00 0.00 C ATOM 850 C SER A 54 107.551 -2.035 10.301 1.00 0.00 C ATOM 851 O SER A 54 107.627 -3.249 10.495 1.00 0.00 O ATOM 852 CB SER A 54 107.099 -1.548 7.885 1.00 0.00 C ATOM 853 OG SER A 54 107.663 -1.087 6.675 1.00 0.00 O ATOM 0 H SER A 54 109.242 -2.888 8.046 1.00 0.00 H new ATOM 0 HA SER A 54 108.302 -0.367 9.211 1.00 0.00 H new ATOM 0 HB2 SER A 54 106.790 -2.588 7.777 1.00 0.00 H new ATOM 0 HB3 SER A 54 106.204 -0.972 8.120 1.00 0.00 H new ATOM 0 HG SER A 54 108.338 -0.404 6.868 1.00 0.00 H new ATOM 859 N ASN A 55 106.995 -1.177 11.161 1.00 0.00 N ATOM 860 CA ASN A 55 106.423 -1.584 12.453 1.00 0.00 C ATOM 861 C ASN A 55 107.520 -1.986 13.432 1.00 0.00 C ATOM 862 O ASN A 55 107.820 -1.254 14.376 1.00 0.00 O ATOM 863 CB ASN A 55 105.410 -2.733 12.301 1.00 0.00 C ATOM 864 CG ASN A 55 104.187 -2.340 11.496 1.00 0.00 C ATOM 865 OD1 ASN A 55 104.229 -2.591 10.198 1.00 0.00 O flip ATOM 866 ND2 ASN A 55 103.206 -1.838 12.035 1.00 0.00 N flip ATOM 0 H ASN A 55 106.927 -0.175 10.982 1.00 0.00 H new ATOM 0 HA ASN A 55 105.891 -0.719 12.848 1.00 0.00 H new ATOM 0 HB2 ASN A 55 105.899 -3.580 11.819 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.096 -3.067 13.290 1.00 0.00 H new ATOM 0 HD21 ASN A 55 103.211 -1.659 13.039 1.00 0.00 H new ATOM 0 HD22 ASN A 55 102.385 -1.599 11.479 1.00 0.00 H new ATOM 873 N GLU A 56 108.129 -3.136 13.189 1.00 0.00 N ATOM 874 CA GLU A 56 109.168 -3.652 14.066 1.00 0.00 C ATOM 875 C GLU A 56 110.507 -3.029 13.706 1.00 0.00 C ATOM 876 O GLU A 56 110.943 -3.095 12.553 1.00 0.00 O ATOM 877 CB GLU A 56 109.245 -5.177 13.953 1.00 0.00 C ATOM 878 CG GLU A 56 107.888 -5.857 14.034 1.00 0.00 C ATOM 879 CD GLU A 56 107.980 -7.368 13.995 1.00 0.00 C ATOM 880 OE1 GLU A 56 108.240 -7.932 12.911 1.00 0.00 O ATOM 881 OE2 GLU A 56 107.768 -8.003 15.051 1.00 0.00 O ATOM 0 H GLU A 56 107.920 -3.732 12.388 1.00 0.00 H new ATOM 0 HA GLU A 56 108.924 -3.391 15.096 1.00 0.00 H new ATOM 0 HB2 GLU A 56 109.719 -5.440 13.008 1.00 0.00 H new ATOM 0 HB3 GLU A 56 109.884 -5.561 14.748 1.00 0.00 H new ATOM 0 HG2 GLU A 56 107.390 -5.553 14.954 1.00 0.00 H new ATOM 0 HG3 GLU A 56 107.266 -5.515 13.207 1.00 0.00 H new ATOM 888 N GLY A 57 111.143 -2.404 14.686 1.00 0.00 N ATOM 889 CA GLY A 57 112.429 -1.776 14.463 1.00 0.00 C ATOM 890 C GLY A 57 112.292 -0.358 13.948 1.00 0.00 C ATOM 891 O GLY A 57 112.772 0.586 14.579 1.00 0.00 O ATOM 0 H GLY A 57 110.788 -2.320 15.639 1.00 0.00 H new ATOM 0 HA2 GLY A 57 112.994 -1.769 15.395 1.00 0.00 H new ATOM 0 HA3 GLY A 57 113.001 -2.367 13.747 1.00 0.00 H new ATOM 895 N LYS A 58 111.606 -0.216 12.813 1.00 0.00 N ATOM 896 CA LYS A 58 111.446 1.073 12.143 1.00 0.00 C ATOM 897 C LYS A 58 112.810 1.666 11.820 1.00 0.00 C ATOM 898 O LYS A 58 113.212 2.675 12.400 1.00 0.00 O ATOM 899 CB LYS A 58 110.639 2.057 12.998 1.00 0.00 C ATOM 900 CG LYS A 58 109.303 1.513 13.475 1.00 0.00 C ATOM 901 CD LYS A 58 108.489 2.591 14.168 1.00 0.00 C ATOM 902 CE LYS A 58 107.231 2.023 14.806 1.00 0.00 C ATOM 903 NZ LYS A 58 107.545 1.094 15.922 1.00 0.00 N ATOM 0 H LYS A 58 111.147 -0.991 12.334 1.00 0.00 H new ATOM 0 HA LYS A 58 110.895 0.901 11.218 1.00 0.00 H new ATOM 0 HB2 LYS A 58 111.234 2.341 13.866 1.00 0.00 H new ATOM 0 HB3 LYS A 58 110.464 2.965 12.421 1.00 0.00 H new ATOM 0 HG2 LYS A 58 108.743 1.120 12.626 1.00 0.00 H new ATOM 0 HG3 LYS A 58 109.469 0.682 14.160 1.00 0.00 H new ATOM 0 HD2 LYS A 58 109.099 3.073 14.932 1.00 0.00 H new ATOM 0 HD3 LYS A 58 108.215 3.361 13.446 1.00 0.00 H new ATOM 0 HE2 LYS A 58 106.612 2.840 15.177 1.00 0.00 H new ATOM 0 HE3 LYS A 58 106.646 1.498 14.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 106.749 1.073 16.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 107.704 0.138 15.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 108.402 1.419 16.414 1.00 0.00 H new ATOM 917 N GLU A 59 113.523 1.026 10.904 1.00 0.00 N ATOM 918 CA GLU A 59 114.894 1.407 10.610 1.00 0.00 C ATOM 919 C GLU A 59 115.292 1.004 9.193 1.00 0.00 C ATOM 920 O GLU A 59 114.809 0.001 8.655 1.00 0.00 O ATOM 921 CB GLU A 59 115.835 0.747 11.623 1.00 0.00 C ATOM 922 CG GLU A 59 115.796 -0.771 11.578 1.00 0.00 C ATOM 923 CD GLU A 59 116.466 -1.419 12.768 1.00 0.00 C ATOM 924 OE1 GLU A 59 117.701 -1.572 12.750 1.00 0.00 O ATOM 925 OE2 GLU A 59 115.755 -1.802 13.716 1.00 0.00 O ATOM 0 H GLU A 59 113.174 0.242 10.353 1.00 0.00 H new ATOM 0 HA GLU A 59 114.972 2.492 10.684 1.00 0.00 H new ATOM 0 HB2 GLU A 59 116.855 1.083 11.434 1.00 0.00 H new ATOM 0 HB3 GLU A 59 115.570 1.081 12.626 1.00 0.00 H new ATOM 0 HG2 GLU A 59 114.758 -1.100 11.530 1.00 0.00 H new ATOM 0 HG3 GLU A 59 116.282 -1.114 10.664 1.00 0.00 H new ATOM 932 N ILE A 60 116.158 1.806 8.592 1.00 0.00 N ATOM 933 CA ILE A 60 116.747 1.489 7.302 1.00 0.00 C ATOM 934 C ILE A 60 118.080 0.788 7.527 1.00 0.00 C ATOM 935 O ILE A 60 118.998 1.360 8.117 1.00 0.00 O ATOM 936 CB ILE A 60 116.971 2.757 6.450 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.643 3.487 6.231 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.614 2.392 5.119 1.00 0.00 C ATOM 939 CD1 ILE A 60 115.783 4.796 5.481 1.00 0.00 C ATOM 0 H ILE A 60 116.471 2.694 8.985 1.00 0.00 H new ATOM 0 HA ILE A 60 116.058 0.841 6.760 1.00 0.00 H new ATOM 0 HB ILE A 60 117.647 3.426 6.983 1.00 0.00 H new ATOM 0 HG12 ILE A 60 114.966 2.834 5.680 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.181 3.681 7.199 1.00 0.00 H new ATOM 0 HG21 ILE A 60 117.766 3.295 4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.575 1.910 5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 60 116.962 1.709 4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 60 114.801 5.255 5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.434 5.468 6.041 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.215 4.608 4.498 1.00 0.00 H new ATOM 951 N VAL A 61 118.183 -0.450 7.071 1.00 0.00 N ATOM 952 CA VAL A 61 119.337 -1.281 7.409 1.00 0.00 C ATOM 953 C VAL A 61 120.249 -1.566 6.220 1.00 0.00 C ATOM 954 O VAL A 61 121.443 -1.814 6.399 1.00 0.00 O ATOM 955 CB VAL A 61 118.897 -2.623 8.030 1.00 0.00 C ATOM 956 CG1 VAL A 61 118.252 -2.403 9.387 1.00 0.00 C ATOM 957 CG2 VAL A 61 117.940 -3.360 7.102 1.00 0.00 C ATOM 0 H VAL A 61 117.492 -0.902 6.472 1.00 0.00 H new ATOM 0 HA VAL A 61 119.906 -0.699 8.134 1.00 0.00 H new ATOM 0 HB VAL A 61 119.786 -3.238 8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 61 117.950 -3.363 9.806 1.00 0.00 H new ATOM 0 HG12 VAL A 61 118.967 -1.924 10.056 1.00 0.00 H new ATOM 0 HG13 VAL A 61 117.376 -1.764 9.274 1.00 0.00 H new ATOM 0 HG21 VAL A 61 117.643 -4.303 7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 61 117.056 -2.746 6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 61 118.435 -3.558 6.152 1.00 0.00 H new ATOM 967 N GLY A 62 119.710 -1.537 5.012 1.00 0.00 N ATOM 968 CA GLY A 62 120.512 -1.918 3.871 1.00 0.00 C ATOM 969 C GLY A 62 119.988 -1.390 2.558 1.00 0.00 C ATOM 970 O GLY A 62 118.872 -0.871 2.480 1.00 0.00 O ATOM 0 H GLY A 62 118.750 -1.262 4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.530 -1.558 4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 62 120.563 -3.006 3.821 1.00 0.00 H new ATOM 974 N ILE A 63 120.810 -1.535 1.530 1.00 0.00 N ATOM 975 CA ILE A 63 120.482 -1.084 0.190 1.00 0.00 C ATOM 976 C ILE A 63 120.126 -2.271 -0.702 1.00 0.00 C ATOM 977 O ILE A 63 120.880 -3.246 -0.784 1.00 0.00 O ATOM 978 CB ILE A 63 121.674 -0.326 -0.429 1.00 0.00 C ATOM 979 CG1 ILE A 63 122.024 0.895 0.427 1.00 0.00 C ATOM 980 CG2 ILE A 63 121.365 0.086 -1.861 1.00 0.00 C ATOM 981 CD1 ILE A 63 123.347 1.532 0.062 1.00 0.00 C ATOM 0 H ILE A 63 121.729 -1.972 1.604 1.00 0.00 H new ATOM 0 HA ILE A 63 119.624 -0.415 0.260 1.00 0.00 H new ATOM 0 HB ILE A 63 122.537 -0.992 -0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 63 121.233 1.638 0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 63 122.050 0.598 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 63 122.219 0.619 -2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 63 121.164 -0.802 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 63 120.491 0.737 -1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 63 123.529 2.390 0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 63 124.149 0.805 0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 63 123.318 1.861 -0.977 1.00 0.00 H new ATOM 993 N ALA A 64 118.981 -2.188 -1.363 1.00 0.00 N ATOM 994 CA ALA A 64 118.552 -3.232 -2.281 1.00 0.00 C ATOM 995 C ALA A 64 118.550 -2.707 -3.709 1.00 0.00 C ATOM 996 O ALA A 64 117.956 -1.666 -3.989 1.00 0.00 O ATOM 997 CB ALA A 64 117.170 -3.742 -1.899 1.00 0.00 C ATOM 0 H ALA A 64 118.331 -1.406 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 64 119.254 -4.063 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 64 116.865 -4.522 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 64 117.199 -4.149 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.455 -2.920 -1.939 1.00 0.00 H new ATOM 1003 N GLU A 65 119.222 -3.411 -4.607 1.00 0.00 N ATOM 1004 CA GLU A 65 119.291 -2.985 -6.001 1.00 0.00 C ATOM 1005 C GLU A 65 118.300 -3.775 -6.849 1.00 0.00 C ATOM 1006 O GLU A 65 118.092 -4.969 -6.624 1.00 0.00 O ATOM 1007 CB GLU A 65 120.711 -3.151 -6.550 1.00 0.00 C ATOM 1008 CG GLU A 65 120.887 -2.644 -7.975 1.00 0.00 C ATOM 1009 CD GLU A 65 122.317 -2.746 -8.463 1.00 0.00 C ATOM 1010 OE1 GLU A 65 122.797 -3.877 -8.684 1.00 0.00 O ATOM 1011 OE2 GLU A 65 122.963 -1.695 -8.646 1.00 0.00 O ATOM 0 H GLU A 65 119.725 -4.274 -4.400 1.00 0.00 H new ATOM 0 HA GLU A 65 119.026 -1.929 -6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 65 121.406 -2.621 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.982 -4.206 -6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 65 120.239 -3.214 -8.641 1.00 0.00 H new ATOM 0 HG3 GLU A 65 120.563 -1.605 -8.028 1.00 0.00 H new ATOM 1018 N ILE A 66 117.686 -3.094 -7.806 1.00 0.00 N ATOM 1019 CA ILE A 66 116.739 -3.719 -8.718 1.00 0.00 C ATOM 1020 C ILE A 66 117.489 -4.488 -9.803 1.00 0.00 C ATOM 1021 O ILE A 66 118.119 -3.883 -10.672 1.00 0.00 O ATOM 1022 CB ILE A 66 115.832 -2.661 -9.391 1.00 0.00 C ATOM 1023 CG1 ILE A 66 115.215 -1.721 -8.348 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.741 -3.334 -10.209 1.00 0.00 C ATOM 1025 CD1 ILE A 66 114.332 -2.412 -7.330 1.00 0.00 C ATOM 0 H ILE A 66 117.829 -2.098 -7.972 1.00 0.00 H new ATOM 0 HA ILE A 66 116.117 -4.401 -8.137 1.00 0.00 H new ATOM 0 HB ILE A 66 116.452 -2.065 -10.061 1.00 0.00 H new ATOM 0 HG12 ILE A 66 116.018 -1.203 -7.823 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.628 -0.960 -8.863 1.00 0.00 H new ATOM 0 HG21 ILE A 66 114.114 -2.574 -10.674 1.00 0.00 H new ATOM 0 HG22 ILE A 66 115.196 -3.953 -10.983 1.00 0.00 H new ATOM 0 HG23 ILE A 66 114.131 -3.959 -9.557 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.937 -1.675 -6.631 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.506 -2.906 -7.841 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.917 -3.153 -6.784 1.00 0.00 H new ATOM 1037 N ILE A 67 117.439 -5.813 -9.749 1.00 0.00 N ATOM 1038 CA ILE A 67 118.151 -6.633 -10.725 1.00 0.00 C ATOM 1039 C ILE A 67 117.219 -7.132 -11.829 1.00 0.00 C ATOM 1040 O ILE A 67 117.666 -7.733 -12.800 1.00 0.00 O ATOM 1041 CB ILE A 67 118.879 -7.825 -10.069 1.00 0.00 C ATOM 1042 CG1 ILE A 67 117.937 -8.615 -9.156 1.00 0.00 C ATOM 1043 CG2 ILE A 67 120.090 -7.330 -9.297 1.00 0.00 C ATOM 1044 CD1 ILE A 67 118.599 -9.800 -8.478 1.00 0.00 C ATOM 0 H ILE A 67 116.919 -6.340 -9.048 1.00 0.00 H new ATOM 0 HA ILE A 67 118.905 -5.985 -11.172 1.00 0.00 H new ATOM 0 HB ILE A 67 119.215 -8.500 -10.856 1.00 0.00 H new ATOM 0 HG12 ILE A 67 117.539 -7.946 -8.393 1.00 0.00 H new ATOM 0 HG13 ILE A 67 117.089 -8.970 -9.742 1.00 0.00 H new ATOM 0 HG21 ILE A 67 120.599 -8.177 -8.837 1.00 0.00 H new ATOM 0 HG22 ILE A 67 120.773 -6.823 -9.978 1.00 0.00 H new ATOM 0 HG23 ILE A 67 119.768 -6.635 -8.522 1.00 0.00 H new ATOM 0 HD11 ILE A 67 117.872 -10.312 -7.848 1.00 0.00 H new ATOM 0 HD12 ILE A 67 118.972 -10.490 -9.235 1.00 0.00 H new ATOM 0 HD13 ILE A 67 119.429 -9.451 -7.864 1.00 0.00 H new ATOM 1056 N ARG A 68 115.929 -6.879 -11.663 1.00 0.00 N ATOM 1057 CA ARG A 68 114.939 -7.103 -12.713 1.00 0.00 C ATOM 1058 C ARG A 68 113.857 -6.041 -12.587 1.00 0.00 C ATOM 1059 O ARG A 68 113.288 -5.868 -11.509 1.00 0.00 O ATOM 1060 CB ARG A 68 114.319 -8.511 -12.639 1.00 0.00 C ATOM 1061 CG ARG A 68 115.283 -9.636 -13.002 1.00 0.00 C ATOM 1062 CD ARG A 68 114.597 -10.998 -13.037 1.00 0.00 C ATOM 1063 NE ARG A 68 114.166 -11.440 -11.710 1.00 0.00 N ATOM 1064 CZ ARG A 68 113.619 -12.629 -11.447 1.00 0.00 C ATOM 1065 NH1 ARG A 68 113.495 -13.540 -12.405 1.00 0.00 N ATOM 1066 NH2 ARG A 68 113.229 -12.925 -10.212 1.00 0.00 N ATOM 0 H ARG A 68 115.536 -6.512 -10.796 1.00 0.00 H new ATOM 0 HA ARG A 68 115.435 -7.032 -13.681 1.00 0.00 H new ATOM 0 HB2 ARG A 68 113.945 -8.679 -11.629 1.00 0.00 H new ATOM 0 HB3 ARG A 68 113.460 -8.553 -13.308 1.00 0.00 H new ATOM 0 HG2 ARG A 68 115.727 -9.430 -13.976 1.00 0.00 H new ATOM 0 HG3 ARG A 68 116.098 -9.661 -12.279 1.00 0.00 H new ATOM 0 HD2 ARG A 68 113.733 -10.949 -13.699 1.00 0.00 H new ATOM 0 HD3 ARG A 68 115.280 -11.735 -13.458 1.00 0.00 H new ATOM 0 HE ARG A 68 114.293 -10.794 -10.931 1.00 0.00 H new ATOM 0 HH11 ARG A 68 113.819 -13.334 -13.350 1.00 0.00 H new ATOM 0 HH12 ARG A 68 113.076 -14.446 -12.196 1.00 0.00 H new ATOM 0 HH21 ARG A 68 113.347 -12.243 -9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 68 112.811 -13.834 -10.013 1.00 0.00 H new ATOM 1080 N GLU A 69 113.599 -5.321 -13.677 1.00 0.00 N ATOM 1081 CA GLU A 69 112.662 -4.194 -13.665 1.00 0.00 C ATOM 1082 C GLU A 69 111.221 -4.668 -13.487 1.00 0.00 C ATOM 1083 O GLU A 69 110.981 -5.822 -13.128 1.00 0.00 O ATOM 1084 CB GLU A 69 112.770 -3.381 -14.964 1.00 0.00 C ATOM 1085 CG GLU A 69 114.196 -3.110 -15.414 1.00 0.00 C ATOM 1086 CD GLU A 69 114.673 -4.111 -16.444 1.00 0.00 C ATOM 1087 OE1 GLU A 69 114.699 -5.319 -16.140 1.00 0.00 O ATOM 1088 OE2 GLU A 69 115.009 -3.695 -17.570 1.00 0.00 O ATOM 0 H GLU A 69 114.027 -5.498 -14.586 1.00 0.00 H new ATOM 0 HA GLU A 69 112.931 -3.562 -12.818 1.00 0.00 H new ATOM 0 HB2 GLU A 69 112.246 -3.914 -15.757 1.00 0.00 H new ATOM 0 HB3 GLU A 69 112.257 -2.429 -14.827 1.00 0.00 H new ATOM 0 HG2 GLU A 69 114.258 -2.105 -15.831 1.00 0.00 H new ATOM 0 HG3 GLU A 69 114.859 -3.138 -14.549 1.00 0.00 H new ATOM 1095 N ALA A 70 110.274 -3.763 -13.752 1.00 0.00 N ATOM 1096 CA ALA A 70 108.845 -4.042 -13.602 1.00 0.00 C ATOM 1097 C ALA A 70 108.457 -5.356 -14.269 1.00 0.00 C ATOM 1098 O ALA A 70 108.372 -5.454 -15.495 1.00 0.00 O ATOM 1099 CB ALA A 70 108.022 -2.899 -14.175 1.00 0.00 C ATOM 0 H ALA A 70 110.478 -2.818 -14.076 1.00 0.00 H new ATOM 0 HA ALA A 70 108.635 -4.135 -12.536 1.00 0.00 H new ATOM 0 HB1 ALA A 70 106.961 -3.120 -14.057 1.00 0.00 H new ATOM 0 HB2 ALA A 70 108.262 -1.977 -13.646 1.00 0.00 H new ATOM 0 HB3 ALA A 70 108.252 -2.780 -15.234 1.00 0.00 H new ATOM 1105 N TYR A 71 108.242 -6.358 -13.440 1.00 0.00 N ATOM 1106 CA TYR A 71 107.929 -7.700 -13.889 1.00 0.00 C ATOM 1107 C TYR A 71 106.454 -7.990 -13.627 1.00 0.00 C ATOM 1108 O TYR A 71 105.980 -7.797 -12.507 1.00 0.00 O ATOM 1109 CB TYR A 71 108.807 -8.687 -13.108 1.00 0.00 C ATOM 1110 CG TYR A 71 109.057 -10.009 -13.790 1.00 0.00 C ATOM 1111 CD1 TYR A 71 108.044 -10.948 -13.949 1.00 0.00 C ATOM 1112 CD2 TYR A 71 110.326 -10.325 -14.258 1.00 0.00 C ATOM 1113 CE1 TYR A 71 108.288 -12.162 -14.561 1.00 0.00 C ATOM 1114 CE2 TYR A 71 110.578 -11.535 -14.874 1.00 0.00 C ATOM 1115 CZ TYR A 71 109.557 -12.449 -15.022 1.00 0.00 C ATOM 1116 OH TYR A 71 109.806 -13.656 -15.636 1.00 0.00 O ATOM 0 H TYR A 71 108.280 -6.262 -12.425 1.00 0.00 H new ATOM 0 HA TYR A 71 108.122 -7.800 -14.957 1.00 0.00 H new ATOM 0 HB2 TYR A 71 109.768 -8.213 -12.908 1.00 0.00 H new ATOM 0 HB3 TYR A 71 108.339 -8.878 -12.142 1.00 0.00 H new ATOM 0 HD1 TYR A 71 107.051 -10.725 -13.588 1.00 0.00 H new ATOM 0 HD2 TYR A 71 111.129 -9.613 -14.138 1.00 0.00 H new ATOM 0 HE1 TYR A 71 107.491 -12.882 -14.678 1.00 0.00 H new ATOM 0 HE2 TYR A 71 111.569 -11.764 -15.238 1.00 0.00 H new ATOM 0 HH TYR A 71 110.748 -13.699 -15.902 1.00 0.00 H new ATOM 1126 N PRO A 72 105.700 -8.423 -14.647 1.00 0.00 N ATOM 1127 CA PRO A 72 104.309 -8.845 -14.465 1.00 0.00 C ATOM 1128 C PRO A 72 104.227 -10.037 -13.518 1.00 0.00 C ATOM 1129 O PRO A 72 104.608 -11.154 -13.880 1.00 0.00 O ATOM 1130 CB PRO A 72 103.852 -9.234 -15.875 1.00 0.00 C ATOM 1131 CG PRO A 72 104.824 -8.576 -16.794 1.00 0.00 C ATOM 1132 CD PRO A 72 106.129 -8.527 -16.050 1.00 0.00 C ATOM 0 HA PRO A 72 103.687 -8.066 -14.024 1.00 0.00 H new ATOM 0 HB2 PRO A 72 103.856 -10.316 -16.006 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.835 -8.893 -16.068 1.00 0.00 H new ATOM 0 HG2 PRO A 72 104.925 -9.138 -17.723 1.00 0.00 H new ATOM 0 HG3 PRO A 72 104.490 -7.574 -17.063 1.00 0.00 H new ATOM 0 HD2 PRO A 72 106.728 -9.421 -16.225 1.00 0.00 H new ATOM 0 HD3 PRO A 72 106.735 -7.673 -16.352 1.00 0.00 H new ATOM 1140 N ASP A 73 103.743 -9.793 -12.306 1.00 0.00 N ATOM 1141 CA ASP A 73 103.804 -10.785 -11.240 1.00 0.00 C ATOM 1142 C ASP A 73 102.934 -11.998 -11.553 1.00 0.00 C ATOM 1143 O ASP A 73 101.772 -11.866 -11.936 1.00 0.00 O ATOM 1144 CB ASP A 73 103.404 -10.165 -9.892 1.00 0.00 C ATOM 1145 CG ASP A 73 101.923 -9.864 -9.781 1.00 0.00 C ATOM 1146 OD1 ASP A 73 101.467 -8.868 -10.372 1.00 0.00 O ATOM 1147 OD2 ASP A 73 101.219 -10.623 -9.082 1.00 0.00 O ATOM 0 H ASP A 73 103.302 -8.913 -12.037 1.00 0.00 H new ATOM 0 HA ASP A 73 104.837 -11.127 -11.170 1.00 0.00 H new ATOM 0 HB2 ASP A 73 103.690 -10.845 -9.089 1.00 0.00 H new ATOM 0 HB3 ASP A 73 103.966 -9.243 -9.744 1.00 0.00 H new ATOM 1152 N PRO A 74 103.508 -13.204 -11.426 1.00 0.00 N ATOM 1153 CA PRO A 74 102.780 -14.459 -11.635 1.00 0.00 C ATOM 1154 C PRO A 74 101.875 -14.812 -10.456 1.00 0.00 C ATOM 1155 O PRO A 74 101.224 -15.856 -10.449 1.00 0.00 O ATOM 1156 CB PRO A 74 103.899 -15.491 -11.776 1.00 0.00 C ATOM 1157 CG PRO A 74 105.026 -14.934 -10.977 1.00 0.00 C ATOM 1158 CD PRO A 74 104.930 -13.437 -11.107 1.00 0.00 C ATOM 0 HA PRO A 74 102.114 -14.407 -12.496 1.00 0.00 H new ATOM 0 HB2 PRO A 74 103.589 -16.466 -11.399 1.00 0.00 H new ATOM 0 HB3 PRO A 74 104.183 -15.628 -12.819 1.00 0.00 H new ATOM 0 HG2 PRO A 74 104.953 -15.240 -9.933 1.00 0.00 H new ATOM 0 HG3 PRO A 74 105.984 -15.297 -11.349 1.00 0.00 H new ATOM 0 HD2 PRO A 74 105.221 -12.935 -10.184 1.00 0.00 H new ATOM 0 HD3 PRO A 74 105.584 -13.061 -11.894 1.00 0.00 H new ATOM 1242 N PHE A 81 99.157 -6.417 -11.113 1.00 0.00 N ATOM 1243 CA PHE A 81 100.166 -5.679 -10.380 1.00 0.00 C ATOM 1244 C PHE A 81 101.522 -5.822 -11.054 1.00 0.00 C ATOM 1245 O PHE A 81 101.609 -6.220 -12.216 1.00 0.00 O ATOM 1246 CB PHE A 81 100.234 -6.167 -8.929 1.00 0.00 C ATOM 1247 CG PHE A 81 98.925 -6.062 -8.199 1.00 0.00 C ATOM 1248 CD1 PHE A 81 98.324 -4.829 -8.002 1.00 0.00 C ATOM 1249 CD2 PHE A 81 98.292 -7.196 -7.718 1.00 0.00 C ATOM 1250 CE1 PHE A 81 97.119 -4.729 -7.334 1.00 0.00 C ATOM 1251 CE2 PHE A 81 97.087 -7.103 -7.048 1.00 0.00 C ATOM 1252 CZ PHE A 81 96.499 -5.867 -6.858 1.00 0.00 C ATOM 0 HA PHE A 81 99.892 -4.624 -10.378 1.00 0.00 H new ATOM 0 HB2 PHE A 81 100.564 -7.206 -8.919 1.00 0.00 H new ATOM 0 HB3 PHE A 81 100.987 -5.588 -8.394 1.00 0.00 H new ATOM 0 HD1 PHE A 81 98.803 -3.936 -8.375 1.00 0.00 H new ATOM 0 HD2 PHE A 81 98.746 -8.165 -7.868 1.00 0.00 H new ATOM 0 HE1 PHE A 81 96.662 -3.762 -7.184 1.00 0.00 H new ATOM 0 HE2 PHE A 81 96.606 -7.994 -6.674 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.556 -5.791 -6.338 1.00 0.00 H new ATOM 1262 N VAL A 82 102.569 -5.449 -10.338 1.00 0.00 N ATOM 1263 CA VAL A 82 103.930 -5.597 -10.824 1.00 0.00 C ATOM 1264 C VAL A 82 104.822 -6.089 -9.698 1.00 0.00 C ATOM 1265 O VAL A 82 104.457 -6.008 -8.526 1.00 0.00 O ATOM 1266 CB VAL A 82 104.510 -4.277 -11.388 1.00 0.00 C ATOM 1267 CG1 VAL A 82 103.802 -3.868 -12.671 1.00 0.00 C ATOM 1268 CG2 VAL A 82 104.424 -3.166 -10.351 1.00 0.00 C ATOM 0 H VAL A 82 102.500 -5.037 -9.408 1.00 0.00 H new ATOM 0 HA VAL A 82 103.901 -6.319 -11.640 1.00 0.00 H new ATOM 0 HB VAL A 82 105.560 -4.448 -11.625 1.00 0.00 H new ATOM 0 HG11 VAL A 82 104.231 -2.938 -13.043 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.926 -4.650 -13.420 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.740 -3.723 -12.470 1.00 0.00 H new ATOM 0 HG21 VAL A 82 104.837 -2.247 -10.767 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.382 -3.004 -10.077 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.992 -3.450 -9.465 1.00 0.00 H new ATOM 1278 N CYS A 83 105.976 -6.608 -10.052 1.00 0.00 N ATOM 1279 CA CYS A 83 106.948 -7.035 -9.071 1.00 0.00 C ATOM 1280 C CYS A 83 108.344 -6.695 -9.552 1.00 0.00 C ATOM 1281 O CYS A 83 108.595 -6.649 -10.753 1.00 0.00 O ATOM 1282 CB CYS A 83 106.820 -8.536 -8.810 1.00 0.00 C ATOM 1283 SG CYS A 83 106.969 -9.569 -10.285 1.00 0.00 S ATOM 0 H CYS A 83 106.266 -6.745 -11.020 1.00 0.00 H new ATOM 0 HA CYS A 83 106.760 -6.511 -8.134 1.00 0.00 H new ATOM 0 HB2 CYS A 83 107.586 -8.834 -8.094 1.00 0.00 H new ATOM 0 HB3 CYS A 83 105.855 -8.730 -8.342 1.00 0.00 H new ATOM 0 HG CYS A 83 106.447 -8.951 -11.302 1.00 0.00 H new ATOM 1289 N VAL A 84 109.237 -6.420 -8.625 1.00 0.00 N ATOM 1290 CA VAL A 84 110.621 -6.160 -8.967 1.00 0.00 C ATOM 1291 C VAL A 84 111.523 -7.115 -8.212 1.00 0.00 C ATOM 1292 O VAL A 84 111.262 -7.443 -7.053 1.00 0.00 O ATOM 1293 CB VAL A 84 111.037 -4.701 -8.671 1.00 0.00 C ATOM 1294 CG1 VAL A 84 110.284 -3.734 -9.574 1.00 0.00 C ATOM 1295 CG2 VAL A 84 110.817 -4.354 -7.205 1.00 0.00 C ATOM 0 H VAL A 84 109.030 -6.370 -7.627 1.00 0.00 H new ATOM 0 HA VAL A 84 110.726 -6.316 -10.041 1.00 0.00 H new ATOM 0 HB VAL A 84 112.103 -4.606 -8.880 1.00 0.00 H new ATOM 0 HG11 VAL A 84 110.591 -2.713 -9.350 1.00 0.00 H new ATOM 0 HG12 VAL A 84 110.509 -3.960 -10.616 1.00 0.00 H new ATOM 0 HG13 VAL A 84 109.212 -3.836 -9.403 1.00 0.00 H new ATOM 0 HG21 VAL A 84 111.118 -3.322 -7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 84 109.762 -4.472 -6.957 1.00 0.00 H new ATOM 0 HG23 VAL A 84 111.413 -5.019 -6.580 1.00 0.00 H new ATOM 1305 N ASP A 85 112.551 -7.599 -8.879 1.00 0.00 N ATOM 1306 CA ASP A 85 113.511 -8.481 -8.237 1.00 0.00 C ATOM 1307 C ASP A 85 114.580 -7.661 -7.528 1.00 0.00 C ATOM 1308 O ASP A 85 115.306 -6.889 -8.161 1.00 0.00 O ATOM 1309 CB ASP A 85 114.148 -9.405 -9.265 1.00 0.00 C ATOM 1310 CG ASP A 85 114.999 -10.485 -8.637 1.00 0.00 C ATOM 1311 OD1 ASP A 85 114.883 -10.707 -7.421 1.00 0.00 O ATOM 1312 OD2 ASP A 85 115.761 -11.133 -9.378 1.00 0.00 O ATOM 0 H ASP A 85 112.745 -7.399 -9.860 1.00 0.00 H new ATOM 0 HA ASP A 85 112.990 -9.091 -7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 85 113.364 -9.869 -9.864 1.00 0.00 H new ATOM 0 HB3 ASP A 85 114.762 -8.815 -9.945 1.00 0.00 H new ATOM 1317 N ILE A 86 114.661 -7.822 -6.217 1.00 0.00 N ATOM 1318 CA ILE A 86 115.576 -7.033 -5.405 1.00 0.00 C ATOM 1319 C ILE A 86 116.630 -7.912 -4.744 1.00 0.00 C ATOM 1320 O ILE A 86 116.343 -9.030 -4.309 1.00 0.00 O ATOM 1321 CB ILE A 86 114.824 -6.236 -4.315 1.00 0.00 C ATOM 1322 CG1 ILE A 86 113.973 -7.172 -3.447 1.00 0.00 C ATOM 1323 CG2 ILE A 86 113.960 -5.159 -4.952 1.00 0.00 C ATOM 1324 CD1 ILE A 86 113.256 -6.472 -2.313 1.00 0.00 C ATOM 0 H ILE A 86 114.103 -8.494 -5.690 1.00 0.00 H new ATOM 0 HA ILE A 86 116.067 -6.332 -6.080 1.00 0.00 H new ATOM 0 HB ILE A 86 115.559 -5.754 -3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 86 113.236 -7.668 -4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 86 114.614 -7.951 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 86 113.436 -4.605 -4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 86 114.591 -4.476 -5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 86 113.233 -5.623 -5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 86 112.676 -7.199 -1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 86 113.987 -5.999 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 86 112.588 -5.712 -2.719 1.00 0.00 H new ATOM 1336 N LYS A 87 117.849 -7.402 -4.674 1.00 0.00 N ATOM 1337 CA LYS A 87 118.942 -8.124 -4.042 1.00 0.00 C ATOM 1338 C LYS A 87 119.514 -7.318 -2.882 1.00 0.00 C ATOM 1339 O LYS A 87 119.615 -6.088 -2.959 1.00 0.00 O ATOM 1340 CB LYS A 87 120.062 -8.406 -5.050 1.00 0.00 C ATOM 1341 CG LYS A 87 120.729 -7.142 -5.573 1.00 0.00 C ATOM 1342 CD LYS A 87 122.018 -7.436 -6.321 1.00 0.00 C ATOM 1343 CE LYS A 87 122.686 -6.146 -6.768 1.00 0.00 C ATOM 1344 NZ LYS A 87 123.943 -6.388 -7.520 1.00 0.00 N ATOM 0 H LYS A 87 118.107 -6.489 -5.048 1.00 0.00 H new ATOM 0 HA LYS A 87 118.544 -9.068 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 87 120.815 -9.038 -4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 87 119.653 -8.968 -5.890 1.00 0.00 H new ATOM 0 HG2 LYS A 87 120.040 -6.617 -6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 87 120.941 -6.474 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 87 122.696 -7.999 -5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 87 121.806 -8.061 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 87 121.995 -5.581 -7.394 1.00 0.00 H new ATOM 0 HE3 LYS A 87 122.902 -5.531 -5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 124.081 -5.630 -8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 124.746 -6.400 -6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 123.884 -7.304 -8.009 1.00 0.00 H new ATOM 1358 N ALA A 88 119.861 -8.004 -1.803 1.00 0.00 N ATOM 1359 CA ALA A 88 120.628 -7.395 -0.731 1.00 0.00 C ATOM 1360 C ALA A 88 122.036 -7.089 -1.224 1.00 0.00 C ATOM 1361 O ALA A 88 122.864 -7.990 -1.368 1.00 0.00 O ATOM 1362 CB ALA A 88 120.676 -8.311 0.482 1.00 0.00 C ATOM 0 H ALA A 88 119.622 -8.984 -1.648 1.00 0.00 H new ATOM 0 HA ALA A 88 120.144 -6.466 -0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 88 121.255 -7.836 1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.663 -8.499 0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 88 121.145 -9.256 0.206 1.00 0.00 H new ATOM 1368 N ASP A 89 122.295 -5.825 -1.513 1.00 0.00 N ATOM 1369 CA ASP A 89 123.576 -5.426 -2.071 1.00 0.00 C ATOM 1370 C ASP A 89 124.585 -5.137 -0.967 1.00 0.00 C ATOM 1371 O ASP A 89 125.594 -5.829 -0.838 1.00 0.00 O ATOM 1372 CB ASP A 89 123.408 -4.201 -2.970 1.00 0.00 C ATOM 1373 CG ASP A 89 124.724 -3.731 -3.552 1.00 0.00 C ATOM 1374 OD1 ASP A 89 125.242 -4.393 -4.475 1.00 0.00 O ATOM 1375 OD2 ASP A 89 125.241 -2.687 -3.099 1.00 0.00 O ATOM 0 H ASP A 89 121.637 -5.059 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 89 123.956 -6.253 -2.672 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.719 -4.440 -3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 89 122.957 -3.391 -2.396 1.00 0.00 H new ATOM 1380 N LYS A 90 124.302 -4.123 -0.163 1.00 0.00 N ATOM 1381 CA LYS A 90 125.192 -3.740 0.923 1.00 0.00 C ATOM 1382 C LYS A 90 124.404 -3.073 2.044 1.00 0.00 C ATOM 1383 O LYS A 90 123.556 -2.215 1.791 1.00 0.00 O ATOM 1384 CB LYS A 90 126.286 -2.799 0.404 1.00 0.00 C ATOM 1385 CG LYS A 90 127.286 -2.368 1.466 1.00 0.00 C ATOM 1386 CD LYS A 90 128.435 -1.576 0.863 1.00 0.00 C ATOM 1387 CE LYS A 90 127.938 -0.345 0.125 1.00 0.00 C ATOM 1388 NZ LYS A 90 129.048 0.397 -0.521 1.00 0.00 N ATOM 0 H LYS A 90 123.462 -3.550 -0.242 1.00 0.00 H new ATOM 0 HA LYS A 90 125.665 -4.638 1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 90 126.822 -3.294 -0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 90 125.816 -1.911 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 90 126.781 -1.762 2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 90 127.678 -3.248 1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 90 129.124 -1.275 1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 90 128.995 -2.211 0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 90 127.212 -0.643 -0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 90 127.419 0.312 0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 128.668 1.230 -1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 129.728 0.704 0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 129.527 -0.222 -1.206 1.00 0.00 H new ATOM 1402 N PRO A 91 124.641 -3.489 3.294 1.00 0.00 N ATOM 1403 CA PRO A 91 123.995 -2.893 4.458 1.00 0.00 C ATOM 1404 C PRO A 91 124.706 -1.627 4.935 1.00 0.00 C ATOM 1405 O PRO A 91 125.744 -1.240 4.392 1.00 0.00 O ATOM 1406 CB PRO A 91 124.097 -3.999 5.505 1.00 0.00 C ATOM 1407 CG PRO A 91 125.356 -4.728 5.166 1.00 0.00 C ATOM 1408 CD PRO A 91 125.547 -4.593 3.674 1.00 0.00 C ATOM 0 HA PRO A 91 122.974 -2.574 4.249 1.00 0.00 H new ATOM 0 HB2 PRO A 91 124.137 -3.587 6.513 1.00 0.00 H new ATOM 0 HB3 PRO A 91 123.233 -4.662 5.466 1.00 0.00 H new ATOM 0 HG2 PRO A 91 126.205 -4.306 5.705 1.00 0.00 H new ATOM 0 HG3 PRO A 91 125.285 -5.777 5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.583 -4.363 3.424 1.00 0.00 H new ATOM 0 HD3 PRO A 91 125.291 -5.516 3.154 1.00 0.00 H new ATOM 1416 N LEU A 92 124.140 -0.986 5.945 1.00 0.00 N ATOM 1417 CA LEU A 92 124.706 0.236 6.495 1.00 0.00 C ATOM 1418 C LEU A 92 125.553 -0.061 7.729 1.00 0.00 C ATOM 1419 O LEU A 92 125.397 -1.107 8.362 1.00 0.00 O ATOM 1420 CB LEU A 92 123.585 1.218 6.847 1.00 0.00 C ATOM 1421 CG LEU A 92 122.831 1.795 5.645 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.745 2.752 6.105 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.789 2.497 4.695 1.00 0.00 C ATOM 0 H LEU A 92 123.283 -1.294 6.404 1.00 0.00 H new ATOM 0 HA LEU A 92 125.352 0.685 5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.871 0.713 7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 92 124.010 2.042 7.420 1.00 0.00 H new ATOM 0 HG LEU A 92 122.361 0.970 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 92 121.221 3.152 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 92 121.039 2.221 6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 92 122.195 3.571 6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 92 123.232 2.899 3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 92 124.290 3.311 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 92 124.532 1.785 4.335 1.00 0.00 H new ATOM 1435 N LYS A 93 126.456 0.860 8.061 1.00 0.00 N ATOM 1436 CA LYS A 93 127.295 0.718 9.245 1.00 0.00 C ATOM 1437 C LYS A 93 126.453 0.851 10.507 1.00 0.00 C ATOM 1438 O LYS A 93 126.707 0.195 11.514 1.00 0.00 O ATOM 1439 CB LYS A 93 128.405 1.772 9.259 1.00 0.00 C ATOM 1440 CG LYS A 93 129.488 1.562 8.209 1.00 0.00 C ATOM 1441 CD LYS A 93 130.243 0.256 8.421 1.00 0.00 C ATOM 1442 CE LYS A 93 130.872 0.169 9.810 1.00 0.00 C ATOM 1443 NZ LYS A 93 131.855 1.260 10.063 1.00 0.00 N ATOM 0 H LYS A 93 126.624 1.712 7.526 1.00 0.00 H new ATOM 0 HA LYS A 93 127.752 -0.271 9.216 1.00 0.00 H new ATOM 0 HB2 LYS A 93 127.958 2.755 9.110 1.00 0.00 H new ATOM 0 HB3 LYS A 93 128.869 1.780 10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 93 129.036 1.563 7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 93 130.190 2.396 8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 93 129.561 -0.582 8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 93 131.023 0.163 7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 93 130.086 0.211 10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 93 131.368 -0.795 9.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 132.302 1.116 10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 132.585 1.249 9.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 131.366 2.178 10.053 1.00 0.00 H new ATOM 1457 N THR A 94 125.468 1.729 10.448 1.00 0.00 N ATOM 1458 CA THR A 94 124.536 1.907 11.540 1.00 0.00 C ATOM 1459 C THR A 94 123.123 2.062 10.987 1.00 0.00 C ATOM 1460 O THR A 94 122.848 3.007 10.246 1.00 0.00 O ATOM 1461 CB THR A 94 124.903 3.145 12.384 1.00 0.00 C ATOM 1462 OG1 THR A 94 126.293 3.092 12.742 1.00 0.00 O ATOM 1463 CG2 THR A 94 124.056 3.216 13.647 1.00 0.00 C ATOM 0 H THR A 94 125.294 2.334 9.645 1.00 0.00 H new ATOM 0 HA THR A 94 124.586 1.028 12.182 1.00 0.00 H new ATOM 0 HB THR A 94 124.708 4.036 11.787 1.00 0.00 H new ATOM 0 HG1 THR A 94 126.523 3.880 13.277 1.00 0.00 H new ATOM 0 HG21 THR A 94 124.335 4.098 14.223 1.00 0.00 H new ATOM 0 HG22 THR A 94 123.002 3.279 13.375 1.00 0.00 H new ATOM 0 HG23 THR A 94 124.223 2.322 14.248 1.00 0.00 H new ATOM 1471 N PRO A 95 122.231 1.109 11.300 1.00 0.00 N ATOM 1472 CA PRO A 95 120.831 1.166 10.866 1.00 0.00 C ATOM 1473 C PRO A 95 120.164 2.483 11.252 1.00 0.00 C ATOM 1474 O PRO A 95 120.180 2.883 12.418 1.00 0.00 O ATOM 1475 CB PRO A 95 120.181 -0.001 11.612 1.00 0.00 C ATOM 1476 CG PRO A 95 121.294 -0.953 11.876 1.00 0.00 C ATOM 1477 CD PRO A 95 122.516 -0.105 12.091 1.00 0.00 C ATOM 0 HA PRO A 95 120.734 1.102 9.782 1.00 0.00 H new ATOM 0 HB2 PRO A 95 119.718 0.333 12.540 1.00 0.00 H new ATOM 0 HB3 PRO A 95 119.397 -0.465 11.013 1.00 0.00 H new ATOM 0 HG2 PRO A 95 121.084 -1.566 12.752 1.00 0.00 H new ATOM 0 HG3 PRO A 95 121.433 -1.634 11.036 1.00 0.00 H new ATOM 0 HD2 PRO A 95 122.664 0.128 13.146 1.00 0.00 H new ATOM 0 HD3 PRO A 95 123.420 -0.607 11.746 1.00 0.00 H new ATOM 1485 N VAL A 96 119.581 3.153 10.270 1.00 0.00 N ATOM 1486 CA VAL A 96 118.968 4.454 10.490 1.00 0.00 C ATOM 1487 C VAL A 96 117.517 4.287 10.915 1.00 0.00 C ATOM 1488 O VAL A 96 116.644 4.012 10.089 1.00 0.00 O ATOM 1489 CB VAL A 96 119.036 5.341 9.226 1.00 0.00 C ATOM 1490 CG1 VAL A 96 118.484 6.731 9.509 1.00 0.00 C ATOM 1491 CG2 VAL A 96 120.464 5.426 8.706 1.00 0.00 C ATOM 0 H VAL A 96 119.519 2.816 9.309 1.00 0.00 H new ATOM 0 HA VAL A 96 119.530 4.948 11.283 1.00 0.00 H new ATOM 0 HB VAL A 96 118.417 4.881 8.455 1.00 0.00 H new ATOM 0 HG11 VAL A 96 118.542 7.337 8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 96 117.444 6.652 9.826 1.00 0.00 H new ATOM 0 HG13 VAL A 96 119.070 7.201 10.299 1.00 0.00 H new ATOM 0 HG21 VAL A 96 120.490 6.055 7.816 1.00 0.00 H new ATOM 0 HG22 VAL A 96 121.106 5.857 9.474 1.00 0.00 H new ATOM 0 HG23 VAL A 96 120.820 4.427 8.455 1.00 0.00 H new ATOM 1501 N THR A 97 117.270 4.431 12.205 1.00 0.00 N ATOM 1502 CA THR A 97 115.933 4.283 12.748 1.00 0.00 C ATOM 1503 C THR A 97 115.067 5.487 12.398 1.00 0.00 C ATOM 1504 O THR A 97 115.576 6.532 11.985 1.00 0.00 O ATOM 1505 CB THR A 97 115.975 4.126 14.277 1.00 0.00 C ATOM 1506 OG1 THR A 97 116.638 5.254 14.863 1.00 0.00 O ATOM 1507 CG2 THR A 97 116.694 2.844 14.674 1.00 0.00 C ATOM 0 H THR A 97 117.984 4.652 12.899 1.00 0.00 H new ATOM 0 HA THR A 97 115.501 3.386 12.305 1.00 0.00 H new ATOM 0 HB THR A 97 114.950 4.073 14.644 1.00 0.00 H new ATOM 0 HG1 THR A 97 116.661 5.150 15.837 1.00 0.00 H new ATOM 0 HG21 THR A 97 116.710 2.757 15.760 1.00 0.00 H new ATOM 0 HG22 THR A 97 116.171 1.987 14.249 1.00 0.00 H new ATOM 0 HG23 THR A 97 117.716 2.869 14.297 1.00 0.00 H new ATOM 1515 N LEU A 98 113.759 5.336 12.566 1.00 0.00 N ATOM 1516 CA LEU A 98 112.820 6.424 12.327 1.00 0.00 C ATOM 1517 C LEU A 98 113.158 7.627 13.205 1.00 0.00 C ATOM 1518 O LEU A 98 112.980 8.772 12.800 1.00 0.00 O ATOM 1519 CB LEU A 98 111.387 5.955 12.600 1.00 0.00 C ATOM 1520 CG LEU A 98 110.292 6.968 12.262 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.286 7.275 10.773 1.00 0.00 C ATOM 1522 CD2 LEU A 98 108.933 6.449 12.704 1.00 0.00 C ATOM 0 H LEU A 98 113.323 4.465 12.869 1.00 0.00 H new ATOM 0 HA LEU A 98 112.899 6.726 11.283 1.00 0.00 H new ATOM 0 HB2 LEU A 98 111.205 5.044 12.029 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.303 5.692 13.655 1.00 0.00 H new ATOM 0 HG LEU A 98 110.502 7.892 12.801 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.500 7.997 10.554 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.251 7.690 10.483 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.102 6.358 10.213 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.165 7.182 12.456 1.00 0.00 H new ATOM 0 HD22 LEU A 98 108.718 5.511 12.192 1.00 0.00 H new ATOM 0 HD23 LEU A 98 108.940 6.281 13.781 1.00 0.00 H new ATOM 1534 N ALA A 99 113.670 7.355 14.402 1.00 0.00 N ATOM 1535 CA ALA A 99 114.065 8.413 15.325 1.00 0.00 C ATOM 1536 C ALA A 99 115.242 9.205 14.761 1.00 0.00 C ATOM 1537 O ALA A 99 115.316 10.425 14.915 1.00 0.00 O ATOM 1538 CB ALA A 99 114.418 7.828 16.684 1.00 0.00 C ATOM 0 H ALA A 99 113.821 6.410 14.755 1.00 0.00 H new ATOM 0 HA ALA A 99 113.223 9.093 15.450 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.711 8.631 17.361 1.00 0.00 H new ATOM 0 HB2 ALA A 99 113.552 7.307 17.092 1.00 0.00 H new ATOM 0 HB3 ALA A 99 115.245 7.126 16.574 1.00 0.00 H new ATOM 1544 N ALA A 100 116.151 8.500 14.097 1.00 0.00 N ATOM 1545 CA ALA A 100 117.305 9.131 13.469 1.00 0.00 C ATOM 1546 C ALA A 100 116.880 9.910 12.230 1.00 0.00 C ATOM 1547 O ALA A 100 117.427 10.969 11.932 1.00 0.00 O ATOM 1548 CB ALA A 100 118.350 8.085 13.112 1.00 0.00 C ATOM 0 H ALA A 100 116.110 7.488 13.980 1.00 0.00 H new ATOM 0 HA ALA A 100 117.746 9.832 14.178 1.00 0.00 H new ATOM 0 HB1 ALA A 100 119.206 8.571 12.644 1.00 0.00 H new ATOM 0 HB2 ALA A 100 118.675 7.571 14.017 1.00 0.00 H new ATOM 0 HB3 ALA A 100 117.919 7.362 12.419 1.00 0.00 H new ATOM 1554 N VAL A 101 115.893 9.380 11.517 1.00 0.00 N ATOM 1555 CA VAL A 101 115.340 10.052 10.348 1.00 0.00 C ATOM 1556 C VAL A 101 114.718 11.391 10.745 1.00 0.00 C ATOM 1557 O VAL A 101 114.924 12.408 10.082 1.00 0.00 O ATOM 1558 CB VAL A 101 114.276 9.175 9.646 1.00 0.00 C ATOM 1559 CG1 VAL A 101 113.648 9.911 8.472 1.00 0.00 C ATOM 1560 CG2 VAL A 101 114.887 7.861 9.180 1.00 0.00 C ATOM 0 H VAL A 101 115.458 8.482 11.730 1.00 0.00 H new ATOM 0 HA VAL A 101 116.160 10.226 9.651 1.00 0.00 H new ATOM 0 HB VAL A 101 113.491 8.958 10.370 1.00 0.00 H new ATOM 0 HG11 VAL A 101 112.904 9.271 7.997 1.00 0.00 H new ATOM 0 HG12 VAL A 101 113.168 10.822 8.829 1.00 0.00 H new ATOM 0 HG13 VAL A 101 114.421 10.167 7.748 1.00 0.00 H new ATOM 0 HG21 VAL A 101 114.123 7.258 8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 101 115.696 8.064 8.478 1.00 0.00 H new ATOM 0 HG23 VAL A 101 115.281 7.318 10.039 1.00 0.00 H new ATOM 1570 N LYS A 102 113.992 11.392 11.857 1.00 0.00 N ATOM 1571 CA LYS A 102 113.310 12.590 12.333 1.00 0.00 C ATOM 1572 C LYS A 102 114.291 13.585 12.955 1.00 0.00 C ATOM 1573 O LYS A 102 113.894 14.666 13.393 1.00 0.00 O ATOM 1574 CB LYS A 102 112.230 12.221 13.352 1.00 0.00 C ATOM 1575 CG LYS A 102 111.169 11.283 12.801 1.00 0.00 C ATOM 1576 CD LYS A 102 110.062 11.023 13.810 1.00 0.00 C ATOM 1577 CE LYS A 102 109.296 12.295 14.135 1.00 0.00 C ATOM 1578 NZ LYS A 102 108.119 12.030 15.003 1.00 0.00 N ATOM 0 H LYS A 102 113.860 10.572 12.449 1.00 0.00 H new ATOM 0 HA LYS A 102 112.844 13.066 11.470 1.00 0.00 H new ATOM 0 HB2 LYS A 102 112.702 11.754 14.216 1.00 0.00 H new ATOM 0 HB3 LYS A 102 111.749 13.133 13.705 1.00 0.00 H new ATOM 0 HG2 LYS A 102 110.741 11.712 11.895 1.00 0.00 H new ATOM 0 HG3 LYS A 102 111.632 10.337 12.518 1.00 0.00 H new ATOM 0 HD2 LYS A 102 109.376 10.275 13.414 1.00 0.00 H new ATOM 0 HD3 LYS A 102 110.490 10.611 14.724 1.00 0.00 H new ATOM 0 HE2 LYS A 102 109.961 13.002 14.632 1.00 0.00 H new ATOM 0 HE3 LYS A 102 108.965 12.765 13.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 107.625 12.924 15.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 107.471 11.376 14.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 108.436 11.605 15.898 1.00 0.00 H new ATOM 1592 N ALA A 103 115.566 13.215 12.999 1.00 0.00 N ATOM 1593 CA ALA A 103 116.597 14.085 13.551 1.00 0.00 C ATOM 1594 C ALA A 103 117.148 15.026 12.485 1.00 0.00 C ATOM 1595 O ALA A 103 117.766 16.044 12.798 1.00 0.00 O ATOM 1596 CB ALA A 103 117.722 13.256 14.151 1.00 0.00 C ATOM 0 H ALA A 103 115.910 12.317 12.659 1.00 0.00 H new ATOM 0 HA ALA A 103 116.144 14.689 14.337 1.00 0.00 H new ATOM 0 HB1 ALA A 103 118.485 13.919 14.559 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.325 12.626 14.947 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.164 12.628 13.377 1.00 0.00 H new ATOM 1602 N GLU A 104 116.917 14.683 11.229 1.00 0.00 N ATOM 1603 CA GLU A 104 117.419 15.470 10.113 1.00 0.00 C ATOM 1604 C GLU A 104 116.271 16.193 9.414 1.00 0.00 C ATOM 1605 O GLU A 104 115.369 15.553 8.874 1.00 0.00 O ATOM 1606 CB GLU A 104 118.167 14.552 9.136 1.00 0.00 C ATOM 1607 CG GLU A 104 118.594 15.217 7.833 1.00 0.00 C ATOM 1608 CD GLU A 104 119.507 16.411 8.034 1.00 0.00 C ATOM 1609 OE1 GLU A 104 120.600 16.246 8.615 1.00 0.00 O ATOM 1610 OE2 GLU A 104 119.138 17.522 7.600 1.00 0.00 O ATOM 0 H GLU A 104 116.382 13.859 10.955 1.00 0.00 H new ATOM 0 HA GLU A 104 118.112 16.225 10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 104 119.053 14.160 9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 104 117.530 13.699 8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 104 119.102 14.482 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 104 117.705 15.537 7.289 1.00 0.00 H new ATOM 1617 N PRO A 105 116.291 17.539 9.428 1.00 0.00 N ATOM 1618 CA PRO A 105 115.259 18.369 8.787 1.00 0.00 C ATOM 1619 C PRO A 105 114.978 17.956 7.344 1.00 0.00 C ATOM 1620 O PRO A 105 113.824 17.927 6.913 1.00 0.00 O ATOM 1621 CB PRO A 105 115.859 19.776 8.829 1.00 0.00 C ATOM 1622 CG PRO A 105 116.775 19.761 10.001 1.00 0.00 C ATOM 1623 CD PRO A 105 117.323 18.362 10.088 1.00 0.00 C ATOM 0 HA PRO A 105 114.299 18.279 9.296 1.00 0.00 H new ATOM 0 HB2 PRO A 105 116.397 20.005 7.909 1.00 0.00 H new ATOM 0 HB3 PRO A 105 115.084 20.534 8.942 1.00 0.00 H new ATOM 0 HG2 PRO A 105 117.579 20.487 9.876 1.00 0.00 H new ATOM 0 HG3 PRO A 105 116.243 20.028 10.914 1.00 0.00 H new ATOM 0 HD2 PRO A 105 118.286 18.277 9.584 1.00 0.00 H new ATOM 0 HD3 PRO A 105 117.477 18.056 11.123 1.00 0.00 H new ATOM 1631 N ARG A 106 116.034 17.624 6.605 1.00 0.00 N ATOM 1632 CA ARG A 106 115.885 17.188 5.221 1.00 0.00 C ATOM 1633 C ARG A 106 115.051 15.916 5.128 1.00 0.00 C ATOM 1634 O ARG A 106 114.212 15.775 4.237 1.00 0.00 O ATOM 1635 CB ARG A 106 117.246 16.944 4.568 1.00 0.00 C ATOM 1636 CG ARG A 106 118.001 18.212 4.202 1.00 0.00 C ATOM 1637 CD ARG A 106 119.264 17.887 3.423 1.00 0.00 C ATOM 1638 NE ARG A 106 119.926 19.081 2.899 1.00 0.00 N ATOM 1639 CZ ARG A 106 120.030 19.368 1.599 1.00 0.00 C ATOM 1640 NH1 ARG A 106 119.468 18.571 0.692 1.00 0.00 N ATOM 1641 NH2 ARG A 106 120.689 20.454 1.213 1.00 0.00 N ATOM 0 H ARG A 106 116.997 17.649 6.940 1.00 0.00 H new ATOM 0 HA ARG A 106 115.372 17.990 4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 106 117.861 16.352 5.247 1.00 0.00 H new ATOM 0 HB3 ARG A 106 117.102 16.348 3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 106 117.360 18.863 3.607 1.00 0.00 H new ATOM 0 HG3 ARG A 106 118.259 18.760 5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 106 119.956 17.347 4.069 1.00 0.00 H new ATOM 0 HD3 ARG A 106 119.015 17.222 2.596 1.00 0.00 H new ATOM 0 HE ARG A 106 120.333 19.735 3.568 1.00 0.00 H new ATOM 0 HH11 ARG A 106 118.957 17.740 0.990 1.00 0.00 H new ATOM 0 HH12 ARG A 106 119.548 18.792 -0.301 1.00 0.00 H new ATOM 0 HH21 ARG A 106 121.114 21.067 1.909 1.00 0.00 H new ATOM 0 HH22 ARG A 106 120.770 20.676 0.221 1.00 0.00 H new ATOM 1655 N LEU A 107 115.274 14.999 6.060 1.00 0.00 N ATOM 1656 CA LEU A 107 114.597 13.711 6.045 1.00 0.00 C ATOM 1657 C LEU A 107 113.207 13.825 6.659 1.00 0.00 C ATOM 1658 O LEU A 107 112.352 12.962 6.454 1.00 0.00 O ATOM 1659 CB LEU A 107 115.426 12.665 6.792 1.00 0.00 C ATOM 1660 CG LEU A 107 116.834 12.430 6.233 1.00 0.00 C ATOM 1661 CD1 LEU A 107 117.548 11.340 7.019 1.00 0.00 C ATOM 1662 CD2 LEU A 107 116.772 12.072 4.755 1.00 0.00 C ATOM 0 H LEU A 107 115.921 15.125 6.838 1.00 0.00 H new ATOM 0 HA LEU A 107 114.488 13.394 5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 107 115.512 12.970 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 107 114.885 11.719 6.780 1.00 0.00 H new ATOM 0 HG LEU A 107 117.402 13.355 6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 107 118.546 11.188 6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 107 117.629 11.639 8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 107 116.982 10.411 6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 107 117.781 11.909 4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 107 116.185 11.163 4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 107 116.305 12.887 4.202 1.00 0.00 H new ATOM 1674 N ALA A 108 112.985 14.896 7.408 1.00 0.00 N ATOM 1675 CA ALA A 108 111.679 15.166 7.990 1.00 0.00 C ATOM 1676 C ALA A 108 110.692 15.589 6.907 1.00 0.00 C ATOM 1677 O ALA A 108 109.486 15.366 7.023 1.00 0.00 O ATOM 1678 CB ALA A 108 111.787 16.236 9.066 1.00 0.00 C ATOM 0 H ALA A 108 113.696 15.594 7.627 1.00 0.00 H new ATOM 0 HA ALA A 108 111.309 14.251 8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 108 110.801 16.426 9.491 1.00 0.00 H new ATOM 0 HB2 ALA A 108 112.461 15.895 9.852 1.00 0.00 H new ATOM 0 HB3 ALA A 108 112.176 17.155 8.628 1.00 0.00 H new ATOM 1684 N ASP A 109 111.212 16.190 5.845 1.00 0.00 N ATOM 1685 CA ASP A 109 110.381 16.590 4.716 1.00 0.00 C ATOM 1686 C ASP A 109 110.480 15.540 3.608 1.00 0.00 C ATOM 1687 O ASP A 109 110.041 15.749 2.475 1.00 0.00 O ATOM 1688 CB ASP A 109 110.801 17.972 4.200 1.00 0.00 C ATOM 1689 CG ASP A 109 109.736 18.635 3.341 1.00 0.00 C ATOM 1690 OD1 ASP A 109 108.582 18.150 3.318 1.00 0.00 O ATOM 1691 OD2 ASP A 109 110.039 19.654 2.687 1.00 0.00 O ATOM 0 H ASP A 109 112.202 16.411 5.741 1.00 0.00 H new ATOM 0 HA ASP A 109 109.343 16.658 5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 109 111.028 18.617 5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 109 111.718 17.874 3.620 1.00 0.00 H new ATOM 1696 N MET A 110 111.064 14.400 3.949 1.00 0.00 N ATOM 1697 CA MET A 110 111.156 13.277 3.028 1.00 0.00 C ATOM 1698 C MET A 110 109.850 12.487 3.060 1.00 0.00 C ATOM 1699 O MET A 110 109.149 12.480 4.076 1.00 0.00 O ATOM 1700 CB MET A 110 112.348 12.385 3.403 1.00 0.00 C ATOM 1701 CG MET A 110 112.536 11.174 2.501 1.00 0.00 C ATOM 1702 SD MET A 110 114.011 10.217 2.909 1.00 0.00 S ATOM 1703 CE MET A 110 113.716 9.839 4.634 1.00 0.00 C ATOM 0 H MET A 110 111.484 14.228 4.863 1.00 0.00 H new ATOM 0 HA MET A 110 111.317 13.646 2.015 1.00 0.00 H new ATOM 0 HB2 MET A 110 113.257 12.986 3.378 1.00 0.00 H new ATOM 0 HB3 MET A 110 112.220 12.042 4.430 1.00 0.00 H new ATOM 0 HG2 MET A 110 111.659 10.531 2.577 1.00 0.00 H new ATOM 0 HG3 MET A 110 112.599 11.505 1.465 1.00 0.00 H new ATOM 0 HE1 MET A 110 114.623 10.028 5.208 1.00 0.00 H new ATOM 0 HE2 MET A 110 112.910 10.468 5.012 1.00 0.00 H new ATOM 0 HE3 MET A 110 113.435 8.791 4.734 1.00 0.00 H new ATOM 1713 N ALA A 111 109.522 11.829 1.951 1.00 0.00 N ATOM 1714 CA ALA A 111 108.257 11.106 1.822 1.00 0.00 C ATOM 1715 C ALA A 111 108.085 10.042 2.906 1.00 0.00 C ATOM 1716 O ALA A 111 106.961 9.688 3.254 1.00 0.00 O ATOM 1717 CB ALA A 111 108.149 10.473 0.443 1.00 0.00 C ATOM 0 H ALA A 111 110.117 11.781 1.124 1.00 0.00 H new ATOM 0 HA ALA A 111 107.455 11.833 1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 111 107.203 9.938 0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 111 108.193 11.251 -0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 111 108.974 9.775 0.297 1.00 0.00 H new ATOM 1723 N LEU A 112 109.198 9.548 3.442 1.00 0.00 N ATOM 1724 CA LEU A 112 109.163 8.539 4.499 1.00 0.00 C ATOM 1725 C LEU A 112 108.458 9.072 5.744 1.00 0.00 C ATOM 1726 O LEU A 112 107.732 8.343 6.418 1.00 0.00 O ATOM 1727 CB LEU A 112 110.586 8.090 4.856 1.00 0.00 C ATOM 1728 CG LEU A 112 110.685 7.051 5.979 1.00 0.00 C ATOM 1729 CD1 LEU A 112 109.999 5.751 5.583 1.00 0.00 C ATOM 1730 CD2 LEU A 112 112.140 6.797 6.338 1.00 0.00 C ATOM 0 H LEU A 112 110.137 9.830 3.162 1.00 0.00 H new ATOM 0 HA LEU A 112 108.601 7.682 4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 112 111.054 7.679 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 112 111.164 8.968 5.144 1.00 0.00 H new ATOM 0 HG LEU A 112 110.173 7.449 6.855 1.00 0.00 H new ATOM 0 HD11 LEU A 112 110.084 5.032 6.398 1.00 0.00 H new ATOM 0 HD12 LEU A 112 108.946 5.943 5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 112 110.475 5.346 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 112 112.194 6.057 7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 112 112.671 6.425 5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 112 112.600 7.727 6.673 1.00 0.00 H new ATOM 1742 N MET A 113 108.670 10.345 6.034 1.00 0.00 N ATOM 1743 CA MET A 113 108.074 10.973 7.205 1.00 0.00 C ATOM 1744 C MET A 113 106.674 11.477 6.882 1.00 0.00 C ATOM 1745 O MET A 113 105.787 11.487 7.734 1.00 0.00 O ATOM 1746 CB MET A 113 108.952 12.136 7.681 1.00 0.00 C ATOM 1747 CG MET A 113 108.413 12.882 8.898 1.00 0.00 C ATOM 1748 SD MET A 113 108.814 12.084 10.469 1.00 0.00 S ATOM 1749 CE MET A 113 107.829 10.590 10.399 1.00 0.00 C ATOM 0 H MET A 113 109.252 10.967 5.473 1.00 0.00 H new ATOM 0 HA MET A 113 108.004 10.231 8.000 1.00 0.00 H new ATOM 0 HB2 MET A 113 109.944 11.752 7.917 1.00 0.00 H new ATOM 0 HB3 MET A 113 109.071 12.844 6.861 1.00 0.00 H new ATOM 0 HG2 MET A 113 108.816 13.895 8.901 1.00 0.00 H new ATOM 0 HG3 MET A 113 107.330 12.970 8.810 1.00 0.00 H new ATOM 0 HE1 MET A 113 107.577 10.273 11.411 1.00 0.00 H new ATOM 0 HE2 MET A 113 106.913 10.784 9.841 1.00 0.00 H new ATOM 0 HE3 MET A 113 108.397 9.803 9.903 1.00 0.00 H new ATOM 1759 N LYS A 114 106.480 11.879 5.635 1.00 0.00 N ATOM 1760 CA LYS A 114 105.229 12.497 5.221 1.00 0.00 C ATOM 1761 C LYS A 114 104.142 11.469 4.934 1.00 0.00 C ATOM 1762 O LYS A 114 102.988 11.656 5.329 1.00 0.00 O ATOM 1763 CB LYS A 114 105.448 13.375 3.989 1.00 0.00 C ATOM 1764 CG LYS A 114 106.337 14.577 4.249 1.00 0.00 C ATOM 1765 CD LYS A 114 105.840 15.379 5.441 1.00 0.00 C ATOM 1766 CE LYS A 114 106.563 16.709 5.557 1.00 0.00 C ATOM 1767 NZ LYS A 114 106.242 17.609 4.419 1.00 0.00 N ATOM 0 H LYS A 114 107.173 11.788 4.892 1.00 0.00 H new ATOM 0 HA LYS A 114 104.890 13.113 6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 114 105.891 12.771 3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 114 104.481 13.721 3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 114 107.359 14.244 4.431 1.00 0.00 H new ATOM 0 HG3 LYS A 114 106.362 15.213 3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 114 104.769 15.553 5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 114 105.986 14.803 6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 114 106.286 17.193 6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 114 107.639 16.537 5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 107.121 17.886 3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 105.621 17.113 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 105.759 18.459 4.774 1.00 0.00 H new ATOM 1781 N TYR A 115 104.496 10.392 4.249 1.00 0.00 N ATOM 1782 CA TYR A 115 103.506 9.415 3.820 1.00 0.00 C ATOM 1783 C TYR A 115 103.874 8.013 4.284 1.00 0.00 C ATOM 1784 O TYR A 115 104.695 7.328 3.670 1.00 0.00 O ATOM 1785 CB TYR A 115 103.346 9.454 2.297 1.00 0.00 C ATOM 1786 CG TYR A 115 102.946 10.818 1.782 1.00 0.00 C ATOM 1787 CD1 TYR A 115 101.670 11.318 2.008 1.00 0.00 C ATOM 1788 CD2 TYR A 115 103.851 11.616 1.092 1.00 0.00 C ATOM 1789 CE1 TYR A 115 101.306 12.570 1.557 1.00 0.00 C ATOM 1790 CE2 TYR A 115 103.494 12.873 0.644 1.00 0.00 C ATOM 1791 CZ TYR A 115 102.221 13.344 0.877 1.00 0.00 C ATOM 1792 OH TYR A 115 101.862 14.600 0.441 1.00 0.00 O ATOM 0 H TYR A 115 105.455 10.173 3.979 1.00 0.00 H new ATOM 0 HA TYR A 115 102.553 9.677 4.280 1.00 0.00 H new ATOM 0 HB2 TYR A 115 104.285 9.156 1.830 1.00 0.00 H new ATOM 0 HB3 TYR A 115 102.595 8.723 1.997 1.00 0.00 H new ATOM 0 HD1 TYR A 115 100.951 10.717 2.545 1.00 0.00 H new ATOM 0 HD2 TYR A 115 104.849 11.248 0.903 1.00 0.00 H new ATOM 0 HE1 TYR A 115 100.308 12.942 1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 115 104.210 13.483 0.114 1.00 0.00 H new ATOM 0 HH TYR A 115 102.621 15.016 -0.020 1.00 0.00 H new ATOM 1802 N SER A 116 103.253 7.593 5.372 1.00 0.00 N ATOM 1803 CA SER A 116 103.483 6.275 5.929 1.00 0.00 C ATOM 1804 C SER A 116 102.824 5.213 5.050 1.00 0.00 C ATOM 1805 O SER A 116 103.366 4.123 4.863 1.00 0.00 O ATOM 1806 CB SER A 116 102.924 6.207 7.353 1.00 0.00 C ATOM 1807 OG SER A 116 103.374 7.305 8.134 1.00 0.00 O ATOM 0 H SER A 116 102.578 8.154 5.891 1.00 0.00 H new ATOM 0 HA SER A 116 104.556 6.084 5.962 1.00 0.00 H new ATOM 0 HB2 SER A 116 101.835 6.204 7.319 1.00 0.00 H new ATOM 0 HB3 SER A 116 103.231 5.273 7.823 1.00 0.00 H new ATOM 0 HG SER A 116 103.001 7.238 9.038 1.00 0.00 H new ATOM 1813 N ARG A 117 101.674 5.566 4.478 1.00 0.00 N ATOM 1814 CA ARG A 117 100.898 4.646 3.646 1.00 0.00 C ATOM 1815 C ARG A 117 101.603 4.318 2.330 1.00 0.00 C ATOM 1816 O ARG A 117 101.269 3.333 1.674 1.00 0.00 O ATOM 1817 CB ARG A 117 99.518 5.236 3.350 1.00 0.00 C ATOM 1818 CG ARG A 117 98.599 5.266 4.558 1.00 0.00 C ATOM 1819 CD ARG A 117 98.326 3.861 5.072 1.00 0.00 C ATOM 1820 NE ARG A 117 97.450 3.859 6.240 1.00 0.00 N ATOM 1821 CZ ARG A 117 97.017 2.754 6.840 1.00 0.00 C ATOM 1822 NH1 ARG A 117 97.345 1.560 6.357 1.00 0.00 N ATOM 1823 NH2 ARG A 117 96.250 2.842 7.919 1.00 0.00 N ATOM 0 H ARG A 117 101.256 6.491 4.577 1.00 0.00 H new ATOM 0 HA ARG A 117 100.794 3.719 4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 117 99.639 6.251 2.971 1.00 0.00 H new ATOM 0 HB3 ARG A 117 99.045 4.654 2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 117 99.052 5.864 5.349 1.00 0.00 H new ATOM 0 HG3 ARG A 117 97.659 5.749 4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 117 97.871 3.268 4.278 1.00 0.00 H new ATOM 0 HD3 ARG A 117 99.270 3.380 5.328 1.00 0.00 H new ATOM 0 HE ARG A 117 97.153 4.758 6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 117 97.930 1.490 5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 117 97.012 0.714 6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 117 95.992 3.757 8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 117 95.918 1.994 8.379 1.00 0.00 H new ATOM 1837 N LEU A 118 102.565 5.142 1.942 1.00 0.00 N ATOM 1838 CA LEU A 118 103.279 4.931 0.691 1.00 0.00 C ATOM 1839 C LEU A 118 104.320 3.826 0.856 1.00 0.00 C ATOM 1840 O LEU A 118 105.370 4.033 1.462 1.00 0.00 O ATOM 1841 CB LEU A 118 103.934 6.233 0.231 1.00 0.00 C ATOM 1842 CG LEU A 118 104.579 6.187 -1.157 1.00 0.00 C ATOM 1843 CD1 LEU A 118 103.555 5.797 -2.214 1.00 0.00 C ATOM 1844 CD2 LEU A 118 105.212 7.530 -1.492 1.00 0.00 C ATOM 0 H LEU A 118 102.868 5.959 2.472 1.00 0.00 H new ATOM 0 HA LEU A 118 102.568 4.618 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 118 103.181 7.021 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.696 6.514 0.958 1.00 0.00 H new ATOM 0 HG LEU A 118 105.362 5.429 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 118 104.034 5.770 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 118 103.149 4.812 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.747 6.529 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 118 105.666 7.481 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 118 104.446 8.306 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 118 105.977 7.766 -0.753 1.00 0.00 H new ATOM 1856 N SER A 119 104.005 2.648 0.333 1.00 0.00 N ATOM 1857 CA SER A 119 104.882 1.491 0.452 1.00 0.00 C ATOM 1858 C SER A 119 106.186 1.711 -0.316 1.00 0.00 C ATOM 1859 O SER A 119 107.277 1.530 0.228 1.00 0.00 O ATOM 1860 CB SER A 119 104.164 0.238 -0.059 1.00 0.00 C ATOM 1861 OG SER A 119 104.882 -0.935 0.271 1.00 0.00 O ATOM 0 H SER A 119 103.142 2.468 -0.181 1.00 0.00 H new ATOM 0 HA SER A 119 105.132 1.353 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 119 103.164 0.188 0.371 1.00 0.00 H new ATOM 0 HB3 SER A 119 104.043 0.301 -1.140 1.00 0.00 H new ATOM 0 HG SER A 119 104.400 -1.719 -0.066 1.00 0.00 H new ATOM 1867 N VAL A 120 106.066 2.107 -1.577 1.00 0.00 N ATOM 1868 CA VAL A 120 107.230 2.392 -2.400 1.00 0.00 C ATOM 1869 C VAL A 120 107.383 3.896 -2.581 1.00 0.00 C ATOM 1870 O VAL A 120 106.607 4.532 -3.299 1.00 0.00 O ATOM 1871 CB VAL A 120 107.144 1.705 -3.779 1.00 0.00 C ATOM 1872 CG1 VAL A 120 108.338 2.083 -4.642 1.00 0.00 C ATOM 1873 CG2 VAL A 120 107.064 0.194 -3.617 1.00 0.00 C ATOM 0 H VAL A 120 105.172 2.238 -2.051 1.00 0.00 H new ATOM 0 HA VAL A 120 108.103 1.992 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 120 106.237 2.049 -4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 120 108.258 1.588 -5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 120 108.355 3.163 -4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 120 109.258 1.769 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 120 107.004 -0.275 -4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 120 107.953 -0.164 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 120 106.177 -0.063 -3.037 1.00 0.00 H new ATOM 1883 N GLN A 121 108.374 4.457 -1.910 1.00 0.00 N ATOM 1884 CA GLN A 121 108.582 5.898 -1.901 1.00 0.00 C ATOM 1885 C GLN A 121 109.685 6.301 -2.875 1.00 0.00 C ATOM 1886 O GLN A 121 110.657 5.569 -3.055 1.00 0.00 O ATOM 1887 CB GLN A 121 108.952 6.349 -0.491 1.00 0.00 C ATOM 1888 CG GLN A 121 107.959 5.900 0.565 1.00 0.00 C ATOM 1889 CD GLN A 121 108.429 6.201 1.970 1.00 0.00 C ATOM 1890 OE1 GLN A 121 107.627 6.420 2.874 1.00 0.00 O ATOM 1891 NE2 GLN A 121 109.737 6.206 2.167 1.00 0.00 N ATOM 0 H GLN A 121 109.054 3.933 -1.359 1.00 0.00 H new ATOM 0 HA GLN A 121 107.657 6.382 -2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 121 109.939 5.960 -0.240 1.00 0.00 H new ATOM 0 HB3 GLN A 121 109.024 7.436 -0.472 1.00 0.00 H new ATOM 0 HG2 GLN A 121 107.003 6.393 0.392 1.00 0.00 H new ATOM 0 HG3 GLN A 121 107.787 4.828 0.465 1.00 0.00 H new ATOM 0 HE21 GLN A 121 110.371 6.019 1.390 1.00 0.00 H new ATOM 0 HE22 GLN A 121 110.112 6.397 3.096 1.00 0.00 H new ATOM 1900 N PRO A 122 109.532 7.460 -3.526 1.00 0.00 N ATOM 1901 CA PRO A 122 110.553 8.018 -4.402 1.00 0.00 C ATOM 1902 C PRO A 122 111.565 8.872 -3.634 1.00 0.00 C ATOM 1903 O PRO A 122 111.193 9.793 -2.896 1.00 0.00 O ATOM 1904 CB PRO A 122 109.740 8.871 -5.372 1.00 0.00 C ATOM 1905 CG PRO A 122 108.513 9.282 -4.621 1.00 0.00 C ATOM 1906 CD PRO A 122 108.336 8.316 -3.472 1.00 0.00 C ATOM 0 HA PRO A 122 111.152 7.250 -4.891 1.00 0.00 H new ATOM 0 HB2 PRO A 122 110.309 9.742 -5.699 1.00 0.00 H new ATOM 0 HB3 PRO A 122 109.480 8.306 -6.267 1.00 0.00 H new ATOM 0 HG2 PRO A 122 108.614 10.302 -4.251 1.00 0.00 H new ATOM 0 HG3 PRO A 122 107.640 9.264 -5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.265 8.841 -2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 122 107.423 7.731 -3.582 1.00 0.00 H new ATOM 1914 N VAL A 123 112.839 8.556 -3.804 1.00 0.00 N ATOM 1915 CA VAL A 123 113.906 9.245 -3.094 1.00 0.00 C ATOM 1916 C VAL A 123 114.853 9.919 -4.085 1.00 0.00 C ATOM 1917 O VAL A 123 115.205 9.336 -5.111 1.00 0.00 O ATOM 1918 CB VAL A 123 114.701 8.255 -2.207 1.00 0.00 C ATOM 1919 CG1 VAL A 123 115.795 8.964 -1.427 1.00 0.00 C ATOM 1920 CG2 VAL A 123 113.770 7.512 -1.259 1.00 0.00 C ATOM 0 H VAL A 123 113.161 7.821 -4.433 1.00 0.00 H new ATOM 0 HA VAL A 123 113.454 10.004 -2.456 1.00 0.00 H new ATOM 0 HB VAL A 123 115.176 7.530 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.333 8.240 -0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 123 116.488 9.438 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.350 9.723 -0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 123 114.350 6.822 -0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.259 8.228 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 123 113.033 6.953 -1.836 1.00 0.00 H new ATOM 1930 N THR A 124 115.244 11.152 -3.795 1.00 0.00 N ATOM 1931 CA THR A 124 116.172 11.870 -4.656 1.00 0.00 C ATOM 1932 C THR A 124 117.620 11.556 -4.275 1.00 0.00 C ATOM 1933 O THR A 124 117.878 10.920 -3.249 1.00 0.00 O ATOM 1934 CB THR A 124 115.941 13.393 -4.597 1.00 0.00 C ATOM 1935 OG1 THR A 124 116.020 13.855 -3.243 1.00 0.00 O ATOM 1936 CG2 THR A 124 114.586 13.761 -5.187 1.00 0.00 C ATOM 0 H THR A 124 114.935 11.673 -2.975 1.00 0.00 H new ATOM 0 HA THR A 124 115.987 11.534 -5.676 1.00 0.00 H new ATOM 0 HB THR A 124 116.720 13.875 -5.188 1.00 0.00 H new ATOM 0 HG1 THR A 124 115.146 13.756 -2.812 1.00 0.00 H new ATOM 0 HG21 THR A 124 114.447 14.841 -5.134 1.00 0.00 H new ATOM 0 HG22 THR A 124 114.543 13.441 -6.228 1.00 0.00 H new ATOM 0 HG23 THR A 124 113.796 13.265 -4.622 1.00 0.00 H new ATOM 1944 N ALA A 125 118.557 12.006 -5.101 1.00 0.00 N ATOM 1945 CA ALA A 125 119.972 11.737 -4.884 1.00 0.00 C ATOM 1946 C ALA A 125 120.452 12.307 -3.552 1.00 0.00 C ATOM 1947 O ALA A 125 121.161 11.630 -2.806 1.00 0.00 O ATOM 1948 CB ALA A 125 120.803 12.290 -6.033 1.00 0.00 C ATOM 0 H ALA A 125 118.360 12.563 -5.933 1.00 0.00 H new ATOM 0 HA ALA A 125 120.102 10.655 -4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 125 121.857 12.080 -5.854 1.00 0.00 H new ATOM 0 HB2 ALA A 125 120.493 11.819 -6.966 1.00 0.00 H new ATOM 0 HB3 ALA A 125 120.655 13.368 -6.103 1.00 0.00 H new ATOM 1954 N GLU A 126 120.056 13.542 -3.246 1.00 0.00 N ATOM 1955 CA GLU A 126 120.459 14.177 -1.995 1.00 0.00 C ATOM 1956 C GLU A 126 119.940 13.400 -0.794 1.00 0.00 C ATOM 1957 O GLU A 126 120.688 13.140 0.147 1.00 0.00 O ATOM 1958 CB GLU A 126 119.970 15.621 -1.914 1.00 0.00 C ATOM 1959 CG GLU A 126 120.612 16.544 -2.930 1.00 0.00 C ATOM 1960 CD GLU A 126 120.419 18.005 -2.587 1.00 0.00 C ATOM 1961 OE1 GLU A 126 119.378 18.349 -1.995 1.00 0.00 O ATOM 1962 OE2 GLU A 126 121.307 18.819 -2.915 1.00 0.00 O ATOM 0 H GLU A 126 119.462 14.117 -3.843 1.00 0.00 H new ATOM 0 HA GLU A 126 121.549 14.177 -1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 126 118.889 15.637 -2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 126 120.167 16.005 -0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 126 121.678 16.326 -2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 126 120.189 16.346 -3.915 1.00 0.00 H new ATOM 1969 N GLU A 127 118.664 13.031 -0.834 1.00 0.00 N ATOM 1970 CA GLU A 127 118.051 12.277 0.255 1.00 0.00 C ATOM 1971 C GLU A 127 118.755 10.935 0.435 1.00 0.00 C ATOM 1972 O GLU A 127 119.160 10.577 1.543 1.00 0.00 O ATOM 1973 CB GLU A 127 116.561 12.048 -0.021 1.00 0.00 C ATOM 1974 CG GLU A 127 115.755 13.329 -0.155 1.00 0.00 C ATOM 1975 CD GLU A 127 114.335 13.077 -0.624 1.00 0.00 C ATOM 1976 OE1 GLU A 127 114.152 12.720 -1.807 1.00 0.00 O ATOM 1977 OE2 GLU A 127 113.394 13.257 0.176 1.00 0.00 O ATOM 0 H GLU A 127 118.034 13.241 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 127 118.154 12.858 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 127 116.457 11.467 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 127 116.140 11.448 0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 127 115.731 13.841 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 127 116.253 13.996 -0.859 1.00 0.00 H new ATOM 1984 N TRP A 128 118.917 10.216 -0.670 1.00 0.00 N ATOM 1985 CA TRP A 128 119.558 8.908 -0.663 1.00 0.00 C ATOM 1986 C TRP A 128 120.969 8.980 -0.090 1.00 0.00 C ATOM 1987 O TRP A 128 121.288 8.321 0.903 1.00 0.00 O ATOM 1988 CB TRP A 128 119.616 8.351 -2.088 1.00 0.00 C ATOM 1989 CG TRP A 128 120.350 7.049 -2.188 1.00 0.00 C ATOM 1990 CD1 TRP A 128 121.687 6.874 -2.405 1.00 0.00 C ATOM 1991 CD2 TRP A 128 119.784 5.743 -2.083 1.00 0.00 C ATOM 1992 NE1 TRP A 128 121.988 5.536 -2.419 1.00 0.00 N ATOM 1993 CE2 TRP A 128 120.837 4.821 -2.227 1.00 0.00 C ATOM 1994 CE3 TRP A 128 118.491 5.263 -1.872 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 120.633 3.451 -2.168 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 118.291 3.901 -1.816 1.00 0.00 C ATOM 1997 CH2 TRP A 128 119.357 3.008 -1.961 1.00 0.00 C ATOM 0 H TRP A 128 118.609 10.523 -1.593 1.00 0.00 H new ATOM 0 HA TRP A 128 118.965 8.249 -0.029 1.00 0.00 H new ATOM 0 HB2 TRP A 128 118.600 8.216 -2.459 1.00 0.00 H new ATOM 0 HB3 TRP A 128 120.098 9.082 -2.737 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.402 7.671 -2.545 1.00 0.00 H new ATOM 0 HE1 TRP A 128 122.918 5.139 -2.551 1.00 0.00 H new ATOM 0 HE3 TRP A 128 117.663 5.946 -1.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 121.454 2.758 -2.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 117.294 3.517 -1.657 1.00 0.00 H new ATOM 0 HH2 TRP A 128 119.168 1.946 -1.908 1.00 0.00 H new ATOM 2008 N LYS A 129 121.808 9.789 -0.722 1.00 0.00 N ATOM 2009 CA LYS A 129 123.217 9.856 -0.369 1.00 0.00 C ATOM 2010 C LYS A 129 123.408 10.432 1.029 1.00 0.00 C ATOM 2011 O LYS A 129 124.454 10.246 1.648 1.00 0.00 O ATOM 2012 CB LYS A 129 123.983 10.678 -1.409 1.00 0.00 C ATOM 2013 CG LYS A 129 123.899 10.096 -2.816 1.00 0.00 C ATOM 2014 CD LYS A 129 124.557 11.003 -3.843 1.00 0.00 C ATOM 2015 CE LYS A 129 124.347 10.495 -5.265 1.00 0.00 C ATOM 2016 NZ LYS A 129 125.001 9.178 -5.503 1.00 0.00 N ATOM 0 H LYS A 129 121.535 10.410 -1.484 1.00 0.00 H new ATOM 0 HA LYS A 129 123.618 8.842 -0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 129 123.591 11.695 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 129 125.030 10.743 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 129 124.380 9.118 -2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 129 122.854 9.942 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 129 124.149 12.010 -3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 129 125.625 11.072 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 129 123.279 10.407 -5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 129 124.742 11.226 -5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 125.724 9.278 -6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 125.449 8.849 -4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 124.287 8.486 -5.807 1.00 0.00 H new ATOM 2030 N LEU A 130 122.392 11.128 1.527 1.00 0.00 N ATOM 2031 CA LEU A 130 122.418 11.645 2.888 1.00 0.00 C ATOM 2032 C LEU A 130 122.230 10.513 3.882 1.00 0.00 C ATOM 2033 O LEU A 130 123.048 10.339 4.773 1.00 0.00 O ATOM 2034 CB LEU A 130 121.327 12.699 3.093 1.00 0.00 C ATOM 2035 CG LEU A 130 121.246 13.294 4.500 1.00 0.00 C ATOM 2036 CD1 LEU A 130 122.480 14.122 4.807 1.00 0.00 C ATOM 2037 CD2 LEU A 130 119.994 14.136 4.653 1.00 0.00 C ATOM 0 H LEU A 130 121.541 11.346 1.008 1.00 0.00 H new ATOM 0 HA LEU A 130 123.388 12.113 3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 130 121.491 13.510 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 130 120.363 12.252 2.850 1.00 0.00 H new ATOM 0 HG LEU A 130 121.199 12.471 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 130 122.400 14.535 5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 130 123.367 13.491 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 130 122.561 14.935 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 130 119.955 14.550 5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 130 120.011 14.949 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.115 13.515 4.482 1.00 0.00 H new ATOM 2049 N VAL A 131 121.163 9.735 3.712 1.00 0.00 N ATOM 2050 CA VAL A 131 120.878 8.618 4.612 1.00 0.00 C ATOM 2051 C VAL A 131 122.041 7.632 4.629 1.00 0.00 C ATOM 2052 O VAL A 131 122.388 7.083 5.674 1.00 0.00 O ATOM 2053 CB VAL A 131 119.578 7.881 4.220 1.00 0.00 C ATOM 2054 CG1 VAL A 131 119.320 6.698 5.143 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.399 8.837 4.246 1.00 0.00 C ATOM 0 H VAL A 131 120.483 9.856 2.962 1.00 0.00 H new ATOM 0 HA VAL A 131 120.743 9.036 5.609 1.00 0.00 H new ATOM 0 HB VAL A 131 119.699 7.500 3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.399 6.198 4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 131 120.152 5.997 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.224 7.052 6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.491 8.302 3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.285 9.247 5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.573 9.649 3.540 1.00 0.00 H new ATOM 2065 N CYS A 132 122.655 7.434 3.469 1.00 0.00 N ATOM 2066 CA CYS A 132 123.820 6.569 3.361 1.00 0.00 C ATOM 2067 C CYS A 132 124.937 7.047 4.288 1.00 0.00 C ATOM 2068 O CYS A 132 125.367 6.317 5.182 1.00 0.00 O ATOM 2069 CB CYS A 132 124.321 6.527 1.918 1.00 0.00 C ATOM 2070 SG CYS A 132 123.102 5.918 0.734 1.00 0.00 S ATOM 0 H CYS A 132 122.364 7.862 2.590 1.00 0.00 H new ATOM 0 HA CYS A 132 123.525 5.564 3.662 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.630 7.530 1.622 1.00 0.00 H new ATOM 0 HB3 CYS A 132 125.207 5.893 1.870 1.00 0.00 H new ATOM 0 HG CYS A 132 122.140 6.785 0.617 1.00 0.00 H new ATOM 2076 N LYS A 133 125.387 8.286 4.098 1.00 0.00 N ATOM 2077 CA LYS A 133 126.479 8.819 4.905 1.00 0.00 C ATOM 2078 C LYS A 133 126.052 9.020 6.356 1.00 0.00 C ATOM 2079 O LYS A 133 126.870 8.920 7.270 1.00 0.00 O ATOM 2080 CB LYS A 133 127.029 10.126 4.317 1.00 0.00 C ATOM 2081 CG LYS A 133 126.000 11.202 4.037 1.00 0.00 C ATOM 2082 CD LYS A 133 126.681 12.523 3.713 1.00 0.00 C ATOM 2083 CE LYS A 133 125.726 13.511 3.066 1.00 0.00 C ATOM 2084 NZ LYS A 133 125.328 13.074 1.703 1.00 0.00 N ATOM 0 H LYS A 133 125.017 8.932 3.401 1.00 0.00 H new ATOM 0 HA LYS A 133 127.280 8.080 4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 133 127.772 10.529 5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 133 127.549 9.895 3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 133 125.367 10.899 3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 133 125.350 11.325 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 133 127.086 12.956 4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 133 127.523 12.343 3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 133 124.837 13.620 3.688 1.00 0.00 H new ATOM 0 HE3 LYS A 133 126.198 14.492 3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 124.340 13.347 1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 125.945 13.528 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 125.420 12.041 1.629 1.00 0.00 H new ATOM 2098 N MET A 134 124.767 9.276 6.555 1.00 0.00 N ATOM 2099 CA MET A 134 124.199 9.465 7.885 1.00 0.00 C ATOM 2100 C MET A 134 124.267 8.155 8.671 1.00 0.00 C ATOM 2101 O MET A 134 124.462 8.152 9.889 1.00 0.00 O ATOM 2102 CB MET A 134 122.749 9.947 7.738 1.00 0.00 C ATOM 2103 CG MET A 134 122.163 10.650 8.954 1.00 0.00 C ATOM 2104 SD MET A 134 121.657 9.529 10.268 1.00 0.00 S ATOM 2105 CE MET A 134 120.576 10.613 11.194 1.00 0.00 C ATOM 0 H MET A 134 124.087 9.359 5.799 1.00 0.00 H new ATOM 0 HA MET A 134 124.768 10.214 8.435 1.00 0.00 H new ATOM 0 HB2 MET A 134 122.695 10.626 6.887 1.00 0.00 H new ATOM 0 HB3 MET A 134 122.122 9.088 7.500 1.00 0.00 H new ATOM 0 HG2 MET A 134 122.901 11.348 9.349 1.00 0.00 H new ATOM 0 HG3 MET A 134 121.302 11.240 8.641 1.00 0.00 H new ATOM 0 HE1 MET A 134 120.594 10.332 12.247 1.00 0.00 H new ATOM 0 HE2 MET A 134 120.916 11.643 11.088 1.00 0.00 H new ATOM 0 HE3 MET A 134 119.559 10.525 10.812 1.00 0.00 H new ATOM 2115 N GLY A 135 124.140 7.043 7.952 1.00 0.00 N ATOM 2116 CA GLY A 135 124.219 5.733 8.571 1.00 0.00 C ATOM 2117 C GLY A 135 125.646 5.227 8.695 1.00 0.00 C ATOM 2118 O GLY A 135 125.874 4.032 8.879 1.00 0.00 O ATOM 0 H GLY A 135 123.983 7.028 6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 135 123.766 5.776 9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 135 123.636 5.023 7.984 1.00 0.00 H new ATOM 2122 N GLY A 136 126.610 6.132 8.568 1.00 0.00 N ATOM 2123 CA GLY A 136 127.998 5.777 8.803 1.00 0.00 C ATOM 2124 C GLY A 136 128.726 5.326 7.551 1.00 0.00 C ATOM 2125 O GLY A 136 129.895 4.948 7.613 1.00 0.00 O ATOM 0 H GLY A 136 126.455 7.106 8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 136 128.518 6.636 9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 136 128.041 4.980 9.546 1.00 0.00 H new ATOM 2129 N LEU A 137 128.058 5.374 6.407 1.00 0.00 N ATOM 2130 CA LEU A 137 128.674 4.933 5.158 1.00 0.00 C ATOM 2131 C LEU A 137 129.659 5.987 4.645 1.00 0.00 C ATOM 2132 O LEU A 137 130.422 5.746 3.706 1.00 0.00 O ATOM 2133 CB LEU A 137 127.597 4.653 4.109 1.00 0.00 C ATOM 2134 CG LEU A 137 128.017 3.729 2.965 1.00 0.00 C ATOM 2135 CD1 LEU A 137 128.332 2.339 3.497 1.00 0.00 C ATOM 2136 CD2 LEU A 137 126.919 3.660 1.916 1.00 0.00 C ATOM 0 H LEU A 137 127.099 5.710 6.315 1.00 0.00 H new ATOM 0 HA LEU A 137 129.225 4.012 5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 137 126.733 4.215 4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 137 127.272 5.603 3.685 1.00 0.00 H new ATOM 0 HG LEU A 137 128.917 4.133 2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 137 128.629 1.692 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 137 129.145 2.402 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 137 127.447 1.926 3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 137 127.230 2.999 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 137 126.006 3.274 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 137 126.732 4.658 1.518 1.00 0.00 H new