USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=33 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 71 TYR OH : rot -6:sc= 1.24 USER MOD Set 1.2: A 83 CYS SG : rot -130:sc= -1.96 USER MOD Set 2.1: A 8 SER OG : rot -143:sc= 0.187 USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= -0.164 USER MOD Set 2.3: A 53 HIS : no HE2:sc= -0.693 K(o=-0.67,f=-7.9!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 2.15 (180deg=2.12) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0771 USER MOD Single : A 17 GLN :FLIP amide:sc= 0.82 F(o=-0.093,f=0.82) USER MOD Single : A 18 GLN : amide:sc= -0.117 K(o=-0.12,f=-4.6!) USER MOD Single : A 21 LYS NZ :NH3+ 151:sc= 1.15 (180deg=0.924) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00435 USER MOD Single : A 33 ASN : amide:sc=-0.00905 K(o=-0.009,f=-1.5!) 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+ -175:sc= 0.706 (180deg=0.564) USER MOD Single : A 39 HIS : no HE2:sc= 0.577 K(o=0.58,f=-5.3!) USER MOD Single : A 40 MET CE :methyl -131:sc= -2.31 (180deg=-4.09!) USER MOD Single : A 43 MET CE :methyl 153:sc= -0.613 (180deg=-1.81) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -35:sc= -0.0593 USER MOD Single : A 55 ASN : amide:sc=-0.00708 X(o=-0.0071,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -132:sc= -0.0222 (180deg=-0.222) USER MOD Single : A 87 LYS NZ :NH3+ -120:sc= 0.606 (180deg=0.026) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -149:sc= -1.11 (180deg=-2.8!) USER MOD Single : A 110 MET CE :methyl -122:sc= -1.05 (180deg=-1.77) USER MOD Single : A 113 MET CE :methyl 154:sc= -0.6 (180deg=-2.08) USER MOD Single : A 114 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.26) 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 121 GLN : amide:sc= -1.64 K(o=-1.6,f=-4.5!) USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 CYS SG : rot 82:sc= 1.03 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 158:sc= 0 (180deg=-0.322) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 118.337 5.124 -10.389 1.00 0.00 N ATOM 20 CA ALA A 2 117.581 6.016 -9.523 1.00 0.00 C ATOM 21 C ALA A 2 117.558 5.472 -8.101 1.00 0.00 C ATOM 22 O ALA A 2 117.890 4.307 -7.871 1.00 0.00 O ATOM 23 CB ALA A 2 116.165 6.200 -10.051 1.00 0.00 C ATOM 0 HA ALA A 2 118.069 6.990 -9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 2 115.615 6.870 -9.391 1.00 0.00 H new ATOM 0 HB2 ALA A 2 116.203 6.628 -11.053 1.00 0.00 H new ATOM 0 HB3 ALA A 2 115.662 5.234 -10.088 1.00 0.00 H new ATOM 29 N TYR A 3 117.162 6.308 -7.156 1.00 0.00 N ATOM 30 CA TYR A 3 117.159 5.922 -5.756 1.00 0.00 C ATOM 31 C TYR A 3 115.732 5.846 -5.230 1.00 0.00 C ATOM 32 O TYR A 3 114.919 6.740 -5.473 1.00 0.00 O ATOM 33 CB TYR A 3 117.979 6.915 -4.934 1.00 0.00 C ATOM 34 CG TYR A 3 119.376 7.138 -5.474 1.00 0.00 C ATOM 35 CD1 TYR A 3 120.356 6.159 -5.360 1.00 0.00 C ATOM 36 CD2 TYR A 3 119.714 8.331 -6.104 1.00 0.00 C ATOM 37 CE1 TYR A 3 121.630 6.361 -5.856 1.00 0.00 C ATOM 38 CE2 TYR A 3 120.986 8.540 -6.602 1.00 0.00 C ATOM 39 CZ TYR A 3 121.939 7.553 -6.476 1.00 0.00 C ATOM 40 OH TYR A 3 123.208 7.757 -6.972 1.00 0.00 O ATOM 0 H TYR A 3 116.838 7.259 -7.333 1.00 0.00 H new ATOM 0 HA TYR A 3 117.613 4.935 -5.664 1.00 0.00 H new ATOM 0 HB2 TYR A 3 117.454 7.870 -4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 3 118.048 6.555 -3.907 1.00 0.00 H new ATOM 0 HD1 TYR A 3 120.118 5.224 -4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 3 118.970 9.107 -6.206 1.00 0.00 H new ATOM 0 HE1 TYR A 3 122.379 5.589 -5.758 1.00 0.00 H new ATOM 0 HE2 TYR A 3 121.232 9.473 -7.088 1.00 0.00 H new ATOM 0 HH TYR A 3 123.261 8.647 -7.379 1.00 0.00 H new ATOM 50 N TRP A 4 115.426 4.770 -4.525 1.00 0.00 N ATOM 51 CA TRP A 4 114.086 4.556 -3.998 1.00 0.00 C ATOM 52 C TRP A 4 114.151 4.121 -2.537 1.00 0.00 C ATOM 53 O TRP A 4 115.229 4.032 -1.951 1.00 0.00 O ATOM 54 CB TRP A 4 113.352 3.486 -4.819 1.00 0.00 C ATOM 55 CG TRP A 4 113.337 3.742 -6.301 1.00 0.00 C ATOM 56 CD1 TRP A 4 114.273 3.334 -7.212 1.00 0.00 C ATOM 57 CD2 TRP A 4 112.338 4.451 -7.047 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.917 3.746 -8.473 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.735 4.434 -8.398 1.00 0.00 C ATOM 60 CE3 TRP A 4 111.147 5.098 -6.704 1.00 0.00 C ATOM 61 CZ2 TRP A 4 111.984 5.039 -9.404 1.00 0.00 C ATOM 62 CZ3 TRP A 4 110.404 5.697 -7.703 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.824 5.665 -9.039 1.00 0.00 C ATOM 0 H TRP A 4 116.089 4.028 -4.303 1.00 0.00 H new ATOM 0 HA TRP A 4 113.540 5.497 -4.067 1.00 0.00 H new ATOM 0 HB2 TRP A 4 113.820 2.519 -4.634 1.00 0.00 H new ATOM 0 HB3 TRP A 4 112.324 3.415 -4.464 1.00 0.00 H new ATOM 0 HD1 TRP A 4 115.163 2.770 -6.974 1.00 0.00 H new ATOM 0 HE1 TRP A 4 114.447 3.568 -9.326 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.814 5.129 -5.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 112.306 5.014 -10.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.482 6.199 -7.449 1.00 0.00 H new ATOM 0 HH2 TRP A 4 110.220 6.144 -9.796 1.00 0.00 H new ATOM 74 N LEU A 5 112.993 3.854 -1.955 1.00 0.00 N ATOM 75 CA LEU A 5 112.912 3.326 -0.602 1.00 0.00 C ATOM 76 C LEU A 5 111.728 2.367 -0.507 1.00 0.00 C ATOM 77 O LEU A 5 110.610 2.707 -0.904 1.00 0.00 O ATOM 78 CB LEU A 5 112.782 4.482 0.408 1.00 0.00 C ATOM 79 CG LEU A 5 112.917 4.113 1.894 1.00 0.00 C ATOM 80 CD1 LEU A 5 113.304 5.340 2.706 1.00 0.00 C ATOM 81 CD2 LEU A 5 111.620 3.531 2.443 1.00 0.00 C ATOM 0 H LEU A 5 112.088 3.996 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 5 113.822 2.777 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 5 113.540 5.228 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 5 111.812 4.956 0.261 1.00 0.00 H new ATOM 0 HG LEU A 5 113.697 3.356 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 5 113.397 5.066 3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 5 114.257 5.728 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 5 112.536 6.106 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 5 111.750 3.281 3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 5 110.820 4.264 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 5 111.361 2.631 1.886 1.00 0.00 H new ATOM 93 N VAL A 6 111.983 1.168 0.000 1.00 0.00 N ATOM 94 CA VAL A 6 110.948 0.151 0.126 1.00 0.00 C ATOM 95 C VAL A 6 110.724 -0.207 1.591 1.00 0.00 C ATOM 96 O VAL A 6 111.666 -0.243 2.389 1.00 0.00 O ATOM 97 CB VAL A 6 111.290 -1.127 -0.675 1.00 0.00 C ATOM 98 CG1 VAL A 6 111.324 -0.831 -2.167 1.00 0.00 C ATOM 99 CG2 VAL A 6 112.615 -1.720 -0.222 1.00 0.00 C ATOM 0 H VAL A 6 112.902 0.875 0.332 1.00 0.00 H new ATOM 0 HA VAL A 6 110.033 0.574 -0.289 1.00 0.00 H new ATOM 0 HB VAL A 6 110.507 -1.861 -0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 6 111.566 -1.743 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 6 110.349 -0.464 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 6 112.081 -0.074 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.829 -2.617 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 6 113.411 -0.991 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 6 112.556 -1.978 0.835 1.00 0.00 H new ATOM 109 N LYS A 7 109.473 -0.449 1.943 1.00 0.00 N ATOM 110 CA LYS A 7 109.117 -0.787 3.310 1.00 0.00 C ATOM 111 C LYS A 7 108.874 -2.282 3.456 1.00 0.00 C ATOM 112 O LYS A 7 108.122 -2.878 2.686 1.00 0.00 O ATOM 113 CB LYS A 7 107.871 -0.011 3.736 1.00 0.00 C ATOM 114 CG LYS A 7 108.093 1.488 3.840 1.00 0.00 C ATOM 115 CD LYS A 7 106.798 2.220 4.139 1.00 0.00 C ATOM 116 CE LYS A 7 107.028 3.709 4.320 1.00 0.00 C ATOM 117 NZ LYS A 7 105.746 4.460 4.326 1.00 0.00 N ATOM 0 H LYS A 7 108.684 -0.417 1.298 1.00 0.00 H new ATOM 0 HA LYS A 7 109.950 -0.511 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 7 107.072 -0.202 3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 7 107.531 -0.387 4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 7 108.820 1.696 4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 7 108.516 1.860 2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 7 106.091 2.057 3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 7 106.347 1.808 5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 7 107.559 3.885 5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 7 107.665 4.080 3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 105.936 5.470 4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 105.268 4.338 3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 105.135 4.099 5.086 1.00 0.00 H new ATOM 131 N SER A 8 109.522 -2.878 4.444 1.00 0.00 N ATOM 132 CA SER A 8 109.358 -4.293 4.731 1.00 0.00 C ATOM 133 C SER A 8 109.196 -4.498 6.233 1.00 0.00 C ATOM 134 O SER A 8 109.960 -3.950 7.029 1.00 0.00 O ATOM 135 CB SER A 8 110.563 -5.084 4.206 1.00 0.00 C ATOM 136 OG SER A 8 110.412 -6.477 4.430 1.00 0.00 O ATOM 0 H SER A 8 110.172 -2.398 5.066 1.00 0.00 H new ATOM 0 HA SER A 8 108.463 -4.659 4.228 1.00 0.00 H new ATOM 0 HB2 SER A 8 110.684 -4.898 3.139 1.00 0.00 H new ATOM 0 HB3 SER A 8 111.471 -4.733 4.696 1.00 0.00 H new ATOM 0 HG SER A 8 111.281 -6.867 4.661 1.00 0.00 H new ATOM 142 N GLU A 9 108.195 -5.269 6.616 1.00 0.00 N ATOM 143 CA GLU A 9 107.927 -5.527 8.019 1.00 0.00 C ATOM 144 C GLU A 9 108.743 -6.725 8.497 1.00 0.00 C ATOM 145 O GLU A 9 108.685 -7.802 7.898 1.00 0.00 O ATOM 146 CB GLU A 9 106.433 -5.780 8.226 1.00 0.00 C ATOM 147 CG GLU A 9 106.000 -5.750 9.681 1.00 0.00 C ATOM 148 CD GLU A 9 104.511 -5.965 9.848 1.00 0.00 C ATOM 149 OE1 GLU A 9 103.750 -4.978 9.764 1.00 0.00 O ATOM 150 OE2 GLU A 9 104.094 -7.118 10.073 1.00 0.00 O ATOM 0 H GLU A 9 107.552 -5.729 5.972 1.00 0.00 H new ATOM 0 HA GLU A 9 108.218 -4.655 8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 9 105.867 -5.030 7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 9 106.176 -6.750 7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 9 106.539 -6.520 10.233 1.00 0.00 H new ATOM 0 HG3 GLU A 9 106.277 -4.791 10.119 1.00 0.00 H new ATOM 157 N PRO A 10 109.506 -6.558 9.594 1.00 0.00 N ATOM 158 CA PRO A 10 110.404 -7.604 10.112 1.00 0.00 C ATOM 159 C PRO A 10 109.653 -8.813 10.669 1.00 0.00 C ATOM 160 O PRO A 10 110.262 -9.829 11.002 1.00 0.00 O ATOM 161 CB PRO A 10 111.172 -6.893 11.226 1.00 0.00 C ATOM 162 CG PRO A 10 110.280 -5.784 11.657 1.00 0.00 C ATOM 163 CD PRO A 10 109.551 -5.338 10.422 1.00 0.00 C ATOM 0 HA PRO A 10 111.039 -8.012 9.325 1.00 0.00 H new ATOM 0 HB2 PRO A 10 111.388 -7.571 12.052 1.00 0.00 H new ATOM 0 HB3 PRO A 10 112.129 -6.514 10.867 1.00 0.00 H new ATOM 0 HG2 PRO A 10 109.581 -6.120 12.423 1.00 0.00 H new ATOM 0 HG3 PRO A 10 110.856 -4.965 12.088 1.00 0.00 H new ATOM 0 HD2 PRO A 10 108.551 -4.973 10.655 1.00 0.00 H new ATOM 0 HD3 PRO A 10 110.076 -4.528 9.916 1.00 0.00 H new ATOM 171 N SER A 11 108.339 -8.690 10.780 1.00 0.00 N ATOM 172 CA SER A 11 107.501 -9.792 11.223 1.00 0.00 C ATOM 173 C SER A 11 107.221 -10.747 10.066 1.00 0.00 C ATOM 174 O SER A 11 106.764 -11.872 10.264 1.00 0.00 O ATOM 175 CB SER A 11 106.188 -9.255 11.791 1.00 0.00 C ATOM 176 OG SER A 11 106.429 -8.357 12.863 1.00 0.00 O ATOM 0 H SER A 11 107.829 -7.833 10.568 1.00 0.00 H new ATOM 0 HA SER A 11 108.028 -10.339 12.005 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.628 -8.748 11.005 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.571 -10.084 12.138 1.00 0.00 H new ATOM 0 HG SER A 11 105.575 -8.025 13.210 1.00 0.00 H new ATOM 182 N VAL A 12 107.499 -10.283 8.855 1.00 0.00 N ATOM 183 CA VAL A 12 107.288 -11.085 7.664 1.00 0.00 C ATOM 184 C VAL A 12 108.627 -11.416 7.011 1.00 0.00 C ATOM 185 O VAL A 12 108.934 -12.580 6.743 1.00 0.00 O ATOM 186 CB VAL A 12 106.386 -10.356 6.641 1.00 0.00 C ATOM 187 CG1 VAL A 12 106.111 -11.244 5.436 1.00 0.00 C ATOM 188 CG2 VAL A 12 105.082 -9.910 7.289 1.00 0.00 C ATOM 0 H VAL A 12 107.873 -9.351 8.674 1.00 0.00 H new ATOM 0 HA VAL A 12 106.788 -12.004 7.970 1.00 0.00 H new ATOM 0 HB VAL A 12 106.915 -9.467 6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 12 105.475 -10.711 4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 12 107.053 -11.503 4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 12 105.608 -12.154 5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 12 104.464 -9.400 6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 12 104.548 -10.781 7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 12 105.299 -9.230 8.112 1.00 0.00 H new ATOM 198 N TRP A 13 109.433 -10.387 6.786 1.00 0.00 N ATOM 199 CA TRP A 13 110.703 -10.556 6.101 1.00 0.00 C ATOM 200 C TRP A 13 111.808 -9.788 6.828 1.00 0.00 C ATOM 201 O TRP A 13 111.629 -8.627 7.206 1.00 0.00 O ATOM 202 CB TRP A 13 110.574 -10.077 4.651 1.00 0.00 C ATOM 203 CG TRP A 13 111.735 -10.469 3.795 1.00 0.00 C ATOM 204 CD1 TRP A 13 112.772 -9.675 3.406 1.00 0.00 C ATOM 205 CD2 TRP A 13 111.980 -11.760 3.224 1.00 0.00 C ATOM 206 NE1 TRP A 13 113.648 -10.390 2.634 1.00 0.00 N ATOM 207 CE2 TRP A 13 113.185 -11.674 2.508 1.00 0.00 C ATOM 208 CE3 TRP A 13 111.297 -12.981 3.254 1.00 0.00 C ATOM 209 CZ2 TRP A 13 113.724 -12.759 1.823 1.00 0.00 C ATOM 210 CZ3 TRP A 13 111.833 -14.058 2.573 1.00 0.00 C ATOM 211 CH2 TRP A 13 113.036 -13.941 1.871 1.00 0.00 C ATOM 0 H TRP A 13 109.228 -9.428 7.068 1.00 0.00 H new ATOM 0 HA TRP A 13 110.971 -11.613 6.100 1.00 0.00 H new ATOM 0 HB2 TRP A 13 109.660 -10.485 4.221 1.00 0.00 H new ATOM 0 HB3 TRP A 13 110.474 -8.992 4.641 1.00 0.00 H new ATOM 0 HD1 TRP A 13 112.886 -8.634 3.668 1.00 0.00 H new ATOM 0 HE1 TRP A 13 114.506 -10.026 2.220 1.00 0.00 H new ATOM 0 HE3 TRP A 13 110.370 -13.080 3.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 114.650 -12.671 1.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 111.314 -15.005 2.584 1.00 0.00 H new ATOM 0 HH2 TRP A 13 113.432 -14.803 1.355 1.00 0.00 H new ATOM 222 N SER A 14 112.946 -10.438 7.032 1.00 0.00 N ATOM 223 CA SER A 14 114.064 -9.817 7.723 1.00 0.00 C ATOM 224 C SER A 14 115.163 -9.426 6.734 1.00 0.00 C ATOM 225 O SER A 14 115.070 -9.718 5.543 1.00 0.00 O ATOM 226 CB SER A 14 114.613 -10.770 8.788 1.00 0.00 C ATOM 227 OG SER A 14 114.972 -12.016 8.218 1.00 0.00 O ATOM 0 H SER A 14 113.118 -11.396 6.728 1.00 0.00 H new ATOM 0 HA SER A 14 113.711 -8.908 8.211 1.00 0.00 H new ATOM 0 HB2 SER A 14 115.483 -10.322 9.268 1.00 0.00 H new ATOM 0 HB3 SER A 14 113.864 -10.924 9.565 1.00 0.00 H new ATOM 0 HG SER A 14 115.321 -12.607 8.917 1.00 0.00 H new ATOM 233 N TRP A 15 116.199 -8.757 7.228 1.00 0.00 N ATOM 234 CA TRP A 15 117.299 -8.315 6.377 1.00 0.00 C ATOM 235 C TRP A 15 118.251 -9.471 6.086 1.00 0.00 C ATOM 236 O TRP A 15 118.577 -9.743 4.929 1.00 0.00 O ATOM 237 CB TRP A 15 118.046 -7.158 7.049 1.00 0.00 C ATOM 238 CG TRP A 15 119.308 -6.756 6.347 1.00 0.00 C ATOM 239 CD1 TRP A 15 120.579 -6.872 6.829 1.00 0.00 C ATOM 240 CD2 TRP A 15 119.425 -6.177 5.041 1.00 0.00 C ATOM 241 NE1 TRP A 15 121.479 -6.400 5.906 1.00 0.00 N ATOM 242 CE2 TRP A 15 120.796 -5.970 4.799 1.00 0.00 C ATOM 243 CE3 TRP A 15 118.505 -5.815 4.053 1.00 0.00 C ATOM 244 CZ2 TRP A 15 121.268 -5.418 3.613 1.00 0.00 C ATOM 245 CZ3 TRP A 15 118.976 -5.267 2.874 1.00 0.00 C ATOM 246 CH2 TRP A 15 120.346 -5.073 2.663 1.00 0.00 C ATOM 0 H TRP A 15 116.301 -8.509 8.212 1.00 0.00 H new ATOM 0 HA TRP A 15 116.891 -7.966 5.428 1.00 0.00 H new ATOM 0 HB2 TRP A 15 117.383 -6.295 7.105 1.00 0.00 H new ATOM 0 HB3 TRP A 15 118.287 -7.441 8.074 1.00 0.00 H new ATOM 0 HD1 TRP A 15 120.839 -7.276 7.796 1.00 0.00 H new ATOM 0 HE1 TRP A 15 122.492 -6.374 6.025 1.00 0.00 H new ATOM 0 HE3 TRP A 15 117.446 -5.961 4.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 122.325 -5.267 3.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 118.275 -4.984 2.103 1.00 0.00 H new ATOM 0 HH2 TRP A 15 120.682 -4.642 1.731 1.00 0.00 H new ATOM 257 N ASP A 16 118.676 -10.148 7.147 1.00 0.00 N ATOM 258 CA ASP A 16 119.610 -11.269 7.053 1.00 0.00 C ATOM 259 C ASP A 16 119.114 -12.321 6.068 1.00 0.00 C ATOM 260 O ASP A 16 119.889 -12.888 5.295 1.00 0.00 O ATOM 261 CB ASP A 16 119.784 -11.913 8.432 1.00 0.00 C ATOM 262 CG ASP A 16 120.233 -10.936 9.500 1.00 0.00 C ATOM 263 OD1 ASP A 16 119.476 -9.989 9.811 1.00 0.00 O ATOM 264 OD2 ASP A 16 121.341 -11.118 10.048 1.00 0.00 O ATOM 0 H ASP A 16 118.383 -9.936 8.101 1.00 0.00 H new ATOM 0 HA ASP A 16 120.565 -10.883 6.696 1.00 0.00 H new ATOM 0 HB2 ASP A 16 118.839 -12.364 8.736 1.00 0.00 H new ATOM 0 HB3 ASP A 16 120.513 -12.720 8.359 1.00 0.00 H new ATOM 269 N GLN A 17 117.809 -12.553 6.093 1.00 0.00 N ATOM 270 CA GLN A 17 117.171 -13.566 5.262 1.00 0.00 C ATOM 271 C GLN A 17 117.264 -13.206 3.776 1.00 0.00 C ATOM 272 O GLN A 17 117.251 -14.080 2.910 1.00 0.00 O ATOM 273 CB GLN A 17 115.714 -13.720 5.704 1.00 0.00 C ATOM 274 CG GLN A 17 114.946 -14.831 5.011 1.00 0.00 C ATOM 275 CD GLN A 17 113.671 -15.167 5.754 1.00 0.00 C ATOM 276 OE1 GLN A 17 113.745 -16.147 6.637 1.00 0.00 O flip ATOM 277 NE2 GLN A 17 112.627 -14.559 5.531 1.00 0.00 N flip ATOM 0 H GLN A 17 117.160 -12.043 6.692 1.00 0.00 H new ATOM 0 HA GLN A 17 117.690 -14.516 5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 17 115.694 -13.901 6.779 1.00 0.00 H new ATOM 0 HB3 GLN A 17 115.196 -12.777 5.529 1.00 0.00 H new ATOM 0 HG2 GLN A 17 114.706 -14.529 3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 17 115.573 -15.720 4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 17 112.612 -13.808 4.841 1.00 0.00 H new ATOM 0 HE22 GLN A 17 111.776 -14.805 6.036 1.00 0.00 H new ATOM 286 N GLN A 18 117.374 -11.917 3.480 1.00 0.00 N ATOM 287 CA GLN A 18 117.526 -11.472 2.102 1.00 0.00 C ATOM 288 C GLN A 18 119.000 -11.525 1.711 1.00 0.00 C ATOM 289 O GLN A 18 119.336 -11.823 0.569 1.00 0.00 O ATOM 290 CB GLN A 18 116.991 -10.045 1.931 1.00 0.00 C ATOM 291 CG GLN A 18 116.205 -9.814 0.644 1.00 0.00 C ATOM 292 CD GLN A 18 116.913 -10.327 -0.597 1.00 0.00 C ATOM 293 OE1 GLN A 18 117.702 -9.619 -1.216 1.00 0.00 O ATOM 294 NE2 GLN A 18 116.614 -11.558 -0.981 1.00 0.00 N ATOM 0 H GLN A 18 117.361 -11.167 4.171 1.00 0.00 H new ATOM 0 HA GLN A 18 116.951 -12.133 1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 18 116.351 -9.806 2.780 1.00 0.00 H new ATOM 0 HB3 GLN A 18 117.830 -9.350 1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 18 115.234 -10.303 0.727 1.00 0.00 H new ATOM 0 HG3 GLN A 18 116.015 -8.747 0.530 1.00 0.00 H new ATOM 0 HE21 GLN A 18 115.953 -12.115 -0.439 1.00 0.00 H new ATOM 0 HE22 GLN A 18 117.045 -11.950 -1.819 1.00 0.00 H new ATOM 303 N VAL A 19 119.872 -11.246 2.678 1.00 0.00 N ATOM 304 CA VAL A 19 121.314 -11.325 2.462 1.00 0.00 C ATOM 305 C VAL A 19 121.706 -12.738 2.045 1.00 0.00 C ATOM 306 O VAL A 19 122.550 -12.929 1.165 1.00 0.00 O ATOM 307 CB VAL A 19 122.103 -10.927 3.732 1.00 0.00 C ATOM 308 CG1 VAL A 19 123.605 -11.028 3.499 1.00 0.00 C ATOM 309 CG2 VAL A 19 121.728 -9.521 4.174 1.00 0.00 C ATOM 0 H VAL A 19 119.604 -10.963 3.620 1.00 0.00 H new ATOM 0 HA VAL A 19 121.566 -10.622 1.668 1.00 0.00 H new ATOM 0 HB VAL A 19 121.836 -11.625 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 19 124.134 -10.742 4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 19 123.864 -12.053 3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 19 123.893 -10.361 2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 19 122.293 -9.258 5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 19 121.961 -8.815 3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 19 120.661 -9.481 4.394 1.00 0.00 H new ATOM 319 N ALA A 20 121.071 -13.723 2.674 1.00 0.00 N ATOM 320 CA ALA A 20 121.282 -15.122 2.322 1.00 0.00 C ATOM 321 C ALA A 20 120.918 -15.372 0.859 1.00 0.00 C ATOM 322 O ALA A 20 121.580 -16.143 0.166 1.00 0.00 O ATOM 323 CB ALA A 20 120.464 -16.022 3.232 1.00 0.00 C ATOM 0 H ALA A 20 120.404 -13.576 3.432 1.00 0.00 H new ATOM 0 HA ALA A 20 122.338 -15.355 2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 20 120.631 -17.064 2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 20 120.768 -15.865 4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 20 119.406 -15.783 3.124 1.00 0.00 H new ATOM 329 N LYS A 21 119.875 -14.693 0.392 1.00 0.00 N ATOM 330 CA LYS A 21 119.438 -14.818 -0.993 1.00 0.00 C ATOM 331 C LYS A 21 119.986 -13.671 -1.831 1.00 0.00 C ATOM 332 O LYS A 21 119.376 -13.279 -2.822 1.00 0.00 O ATOM 333 CB LYS A 21 117.909 -14.829 -1.088 1.00 0.00 C ATOM 334 CG LYS A 21 117.251 -15.896 -0.236 1.00 0.00 C ATOM 335 CD LYS A 21 115.865 -16.258 -0.755 1.00 0.00 C ATOM 336 CE LYS A 21 114.928 -15.061 -0.762 1.00 0.00 C ATOM 337 NZ LYS A 21 113.572 -15.411 -1.267 1.00 0.00 N ATOM 0 H LYS A 21 119.317 -14.050 0.953 1.00 0.00 H new ATOM 0 HA LYS A 21 119.822 -15.763 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 21 117.529 -13.852 -0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 21 117.620 -14.978 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 21 117.878 -16.787 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 21 117.174 -15.544 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 21 115.949 -16.658 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 21 115.440 -17.047 -0.134 1.00 0.00 H new ATOM 0 HE2 LYS A 21 114.845 -14.661 0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 21 115.353 -14.273 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 112.866 -14.786 -0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 113.545 -15.292 -2.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 113.357 -16.400 -1.027 1.00 0.00 H new ATOM 351 N GLY A 22 121.152 -13.162 -1.445 1.00 0.00 N ATOM 352 CA GLY A 22 121.747 -12.023 -2.135 1.00 0.00 C ATOM 353 C GLY A 22 122.064 -12.299 -3.596 1.00 0.00 C ATOM 354 O GLY A 22 122.283 -11.373 -4.377 1.00 0.00 O ATOM 0 H GLY A 22 121.701 -13.518 -0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 22 121.066 -11.174 -2.073 1.00 0.00 H new ATOM 0 HA3 GLY A 22 122.664 -11.735 -1.620 1.00 0.00 H new ATOM 358 N ALA A 23 122.094 -13.574 -3.966 1.00 0.00 N ATOM 359 CA ALA A 23 122.356 -13.963 -5.345 1.00 0.00 C ATOM 360 C ALA A 23 121.057 -14.201 -6.114 1.00 0.00 C ATOM 361 O ALA A 23 121.054 -14.265 -7.342 1.00 0.00 O ATOM 362 CB ALA A 23 123.221 -15.212 -5.383 1.00 0.00 C ATOM 0 H ALA A 23 121.940 -14.356 -3.329 1.00 0.00 H new ATOM 0 HA ALA A 23 122.888 -13.143 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.410 -15.493 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 23 124.169 -15.014 -4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 23 122.706 -16.027 -4.875 1.00 0.00 H new ATOM 368 N ALA A 24 119.953 -14.332 -5.386 1.00 0.00 N ATOM 369 CA ALA A 24 118.669 -14.637 -6.004 1.00 0.00 C ATOM 370 C ALA A 24 117.732 -13.436 -5.958 1.00 0.00 C ATOM 371 O ALA A 24 116.982 -13.180 -6.902 1.00 0.00 O ATOM 372 CB ALA A 24 118.029 -15.838 -5.320 1.00 0.00 C ATOM 0 H ALA A 24 119.922 -14.232 -4.371 1.00 0.00 H new ATOM 0 HA ALA A 24 118.848 -14.879 -7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 24 117.070 -16.056 -5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 24 118.685 -16.703 -5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 24 117.873 -15.615 -4.265 1.00 0.00 H new ATOM 378 N GLY A 25 117.787 -12.700 -4.860 1.00 0.00 N ATOM 379 CA GLY A 25 116.903 -11.575 -4.678 1.00 0.00 C ATOM 380 C GLY A 25 115.574 -11.994 -4.090 1.00 0.00 C ATOM 381 O GLY A 25 115.459 -13.075 -3.507 1.00 0.00 O ATOM 0 H GLY A 25 118.433 -12.865 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 25 117.376 -10.844 -4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 25 116.738 -11.084 -5.637 1.00 0.00 H new ATOM 385 N GLU A 26 114.584 -11.131 -4.223 1.00 0.00 N ATOM 386 CA GLU A 26 113.236 -11.432 -3.779 1.00 0.00 C ATOM 387 C GLU A 26 112.229 -10.764 -4.706 1.00 0.00 C ATOM 388 O GLU A 26 112.481 -9.668 -5.218 1.00 0.00 O ATOM 389 CB GLU A 26 113.030 -10.958 -2.338 1.00 0.00 C ATOM 390 CG GLU A 26 111.683 -11.353 -1.753 1.00 0.00 C ATOM 391 CD GLU A 26 111.437 -12.846 -1.823 1.00 0.00 C ATOM 392 OE1 GLU A 26 110.916 -13.325 -2.852 1.00 0.00 O ATOM 393 OE2 GLU A 26 111.771 -13.553 -0.854 1.00 0.00 O ATOM 0 H GLU A 26 114.691 -10.206 -4.640 1.00 0.00 H new ATOM 0 HA GLU A 26 113.085 -12.511 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 26 113.823 -11.369 -1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 26 113.127 -9.873 -2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 26 111.632 -11.028 -0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 26 110.890 -10.832 -2.289 1.00 0.00 H new ATOM 400 N ALA A 27 111.099 -11.422 -4.914 1.00 0.00 N ATOM 401 CA ALA A 27 110.074 -10.923 -5.812 1.00 0.00 C ATOM 402 C ALA A 27 109.018 -10.140 -5.046 1.00 0.00 C ATOM 403 O ALA A 27 108.421 -10.646 -4.092 1.00 0.00 O ATOM 404 CB ALA A 27 109.439 -12.073 -6.577 1.00 0.00 C ATOM 0 H ALA A 27 110.869 -12.310 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 27 110.542 -10.247 -6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 27 108.672 -11.685 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 27 110.203 -12.588 -7.160 1.00 0.00 H new ATOM 0 HB3 ALA A 27 108.986 -12.772 -5.874 1.00 0.00 H new ATOM 410 N TRP A 28 108.791 -8.908 -5.467 1.00 0.00 N ATOM 411 CA TRP A 28 107.802 -8.051 -4.830 1.00 0.00 C ATOM 412 C TRP A 28 106.410 -8.347 -5.393 1.00 0.00 C ATOM 413 O TRP A 28 105.798 -7.507 -6.058 1.00 0.00 O ATOM 414 CB TRP A 28 108.178 -6.581 -5.041 1.00 0.00 C ATOM 415 CG TRP A 28 108.176 -5.766 -3.780 1.00 0.00 C ATOM 416 CD1 TRP A 28 107.464 -4.626 -3.542 1.00 0.00 C ATOM 417 CD2 TRP A 28 108.925 -6.028 -2.585 1.00 0.00 C ATOM 418 NE1 TRP A 28 107.732 -4.157 -2.278 1.00 0.00 N ATOM 419 CE2 TRP A 28 108.621 -5.002 -1.669 1.00 0.00 C ATOM 420 CE3 TRP A 28 109.824 -7.027 -2.201 1.00 0.00 C ATOM 421 CZ2 TRP A 28 109.184 -4.949 -0.397 1.00 0.00 C ATOM 422 CZ3 TRP A 28 110.379 -6.974 -0.936 1.00 0.00 C ATOM 423 CH2 TRP A 28 110.058 -5.941 -0.047 1.00 0.00 C ATOM 0 H TRP A 28 109.280 -8.476 -6.251 1.00 0.00 H new ATOM 0 HA TRP A 28 107.784 -8.252 -3.759 1.00 0.00 H new ATOM 0 HB2 TRP A 28 109.169 -6.531 -5.493 1.00 0.00 H new ATOM 0 HB3 TRP A 28 107.481 -6.136 -5.751 1.00 0.00 H new ATOM 0 HD1 TRP A 28 106.789 -4.160 -4.244 1.00 0.00 H new ATOM 0 HE1 TRP A 28 107.333 -3.316 -1.861 1.00 0.00 H new ATOM 0 HE3 TRP A 28 110.081 -7.826 -2.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 108.939 -4.152 0.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 111.072 -7.743 -0.628 1.00 0.00 H new ATOM 0 HH2 TRP A 28 110.509 -5.927 0.934 1.00 0.00 H new ATOM 434 N THR A 29 105.931 -9.556 -5.133 1.00 0.00 N ATOM 435 CA THR A 29 104.650 -10.010 -5.647 1.00 0.00 C ATOM 436 C THR A 29 103.520 -9.717 -4.667 1.00 0.00 C ATOM 437 O THR A 29 103.754 -9.514 -3.473 1.00 0.00 O ATOM 438 CB THR A 29 104.674 -11.527 -5.917 1.00 0.00 C ATOM 439 OG1 THR A 29 105.158 -12.224 -4.760 1.00 0.00 O ATOM 440 CG2 THR A 29 105.546 -11.865 -7.114 1.00 0.00 C ATOM 0 H THR A 29 106.419 -10.246 -4.562 1.00 0.00 H new ATOM 0 HA THR A 29 104.474 -9.468 -6.576 1.00 0.00 H new ATOM 0 HB THR A 29 103.654 -11.841 -6.137 1.00 0.00 H new ATOM 0 HG1 THR A 29 105.169 -13.187 -4.939 1.00 0.00 H new ATOM 0 HG21 THR A 29 105.540 -12.943 -7.276 1.00 0.00 H new ATOM 0 HG22 THR A 29 105.158 -11.363 -8.000 1.00 0.00 H new ATOM 0 HG23 THR A 29 106.567 -11.532 -6.926 1.00 0.00 H new ATOM 448 N GLY A 30 102.298 -9.678 -5.179 1.00 0.00 N ATOM 449 CA GLY A 30 101.134 -9.610 -4.318 1.00 0.00 C ATOM 450 C GLY A 30 100.718 -8.196 -3.961 1.00 0.00 C ATOM 451 O GLY A 30 99.528 -7.931 -3.791 1.00 0.00 O ATOM 0 H GLY A 30 102.091 -9.692 -6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 30 100.300 -10.111 -4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 30 101.340 -10.161 -3.400 1.00 0.00 H new ATOM 455 N VAL A 31 101.693 -7.299 -3.838 1.00 0.00 N ATOM 456 CA VAL A 31 101.418 -5.911 -3.467 1.00 0.00 C ATOM 457 C VAL A 31 100.409 -5.280 -4.424 1.00 0.00 C ATOM 458 O VAL A 31 100.578 -5.328 -5.646 1.00 0.00 O ATOM 459 CB VAL A 31 102.711 -5.060 -3.418 1.00 0.00 C ATOM 460 CG1 VAL A 31 103.589 -5.489 -2.253 1.00 0.00 C ATOM 461 CG2 VAL A 31 103.487 -5.162 -4.724 1.00 0.00 C ATOM 0 H VAL A 31 102.680 -7.507 -3.989 1.00 0.00 H new ATOM 0 HA VAL A 31 100.990 -5.927 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 31 102.419 -4.020 -3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 31 104.493 -4.880 -2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 31 103.044 -5.357 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 31 103.861 -6.538 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 31 104.389 -4.554 -4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 31 103.762 -6.201 -4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 31 102.866 -4.804 -5.545 1.00 0.00 H new ATOM 471 N ARG A 32 99.356 -4.699 -3.867 1.00 0.00 N ATOM 472 CA ARG A 32 98.260 -4.172 -4.667 1.00 0.00 C ATOM 473 C ARG A 32 98.138 -2.660 -4.531 1.00 0.00 C ATOM 474 O ARG A 32 97.225 -2.056 -5.098 1.00 0.00 O ATOM 475 CB ARG A 32 96.939 -4.839 -4.279 1.00 0.00 C ATOM 476 CG ARG A 32 96.606 -4.732 -2.798 1.00 0.00 C ATOM 477 CD ARG A 32 95.242 -5.329 -2.486 1.00 0.00 C ATOM 478 NE ARG A 32 95.109 -6.697 -2.988 1.00 0.00 N ATOM 479 CZ ARG A 32 94.408 -7.651 -2.377 1.00 0.00 C ATOM 480 NH1 ARG A 32 93.812 -7.406 -1.216 1.00 0.00 N ATOM 481 NH2 ARG A 32 94.311 -8.856 -2.925 1.00 0.00 N ATOM 0 H ARG A 32 99.238 -4.580 -2.861 1.00 0.00 H new ATOM 0 HA ARG A 32 98.483 -4.399 -5.709 1.00 0.00 H new ATOM 0 HB2 ARG A 32 96.132 -4.388 -4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 32 96.980 -5.892 -4.557 1.00 0.00 H new ATOM 0 HG2 ARG A 32 97.370 -5.245 -2.215 1.00 0.00 H new ATOM 0 HG3 ARG A 32 96.623 -3.685 -2.495 1.00 0.00 H new ATOM 0 HD2 ARG A 32 95.083 -5.322 -1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 32 94.465 -4.705 -2.927 1.00 0.00 H new ATOM 0 HE ARG A 32 95.582 -6.935 -3.860 1.00 0.00 H new ATOM 0 HH11 ARG A 32 93.890 -6.484 -0.788 1.00 0.00 H new ATOM 0 HH12 ARG A 32 93.277 -8.140 -0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 32 94.773 -9.051 -3.813 1.00 0.00 H new ATOM 0 HH22 ARG A 32 93.775 -9.587 -2.458 1.00 0.00 H new ATOM 495 N ASN A 33 99.051 -2.048 -3.788 1.00 0.00 N ATOM 496 CA ASN A 33 99.074 -0.595 -3.684 1.00 0.00 C ATOM 497 C ASN A 33 99.515 -0.026 -5.019 1.00 0.00 C ATOM 498 O ASN A 33 100.663 -0.203 -5.434 1.00 0.00 O ATOM 499 CB ASN A 33 100.016 -0.127 -2.564 1.00 0.00 C ATOM 500 CG ASN A 33 99.489 -0.431 -1.170 1.00 0.00 C ATOM 501 OD1 ASN A 33 98.760 -1.401 -0.960 1.00 0.00 O ATOM 502 ND2 ASN A 33 99.860 0.394 -0.204 1.00 0.00 N ATOM 0 H ASN A 33 99.776 -2.527 -3.255 1.00 0.00 H new ATOM 0 HA ASN A 33 98.075 -0.238 -3.434 1.00 0.00 H new ATOM 0 HB2 ASN A 33 100.987 -0.607 -2.691 1.00 0.00 H new ATOM 0 HB3 ASN A 33 100.176 0.947 -2.658 1.00 0.00 H new ATOM 0 HD21 ASN A 33 99.541 0.236 0.752 1.00 0.00 H new ATOM 0 HD22 ASN A 33 100.465 1.188 -0.415 1.00 0.00 H new ATOM 509 N HIS A 34 98.602 0.661 -5.685 1.00 0.00 N ATOM 510 CA HIS A 34 98.781 1.009 -7.087 1.00 0.00 C ATOM 511 C HIS A 34 99.830 2.091 -7.279 1.00 0.00 C ATOM 512 O HIS A 34 100.607 2.034 -8.228 1.00 0.00 O ATOM 513 CB HIS A 34 97.455 1.445 -7.712 1.00 0.00 C ATOM 514 CG HIS A 34 97.195 0.800 -9.041 1.00 0.00 C ATOM 515 ND1 HIS A 34 96.333 -0.262 -9.203 1.00 0.00 N ATOM 516 CD2 HIS A 34 97.703 1.060 -10.269 1.00 0.00 C ATOM 517 CE1 HIS A 34 96.324 -0.631 -10.471 1.00 0.00 C ATOM 518 NE2 HIS A 34 97.148 0.155 -11.140 1.00 0.00 N ATOM 0 H HIS A 34 97.727 0.990 -5.277 1.00 0.00 H new ATOM 0 HA HIS A 34 99.136 0.111 -7.594 1.00 0.00 H new ATOM 0 HB2 HIS A 34 96.640 1.201 -7.030 1.00 0.00 H new ATOM 0 HB3 HIS A 34 97.455 2.528 -7.834 1.00 0.00 H new ATOM 0 HD2 HIS A 34 98.413 1.835 -10.517 1.00 0.00 H new ATOM 0 HE1 HIS A 34 95.742 -1.438 -10.890 1.00 0.00 H new ATOM 0 HE2 HIS A 34 97.341 0.099 -12.140 1.00 0.00 H new ATOM 527 N SER A 35 99.869 3.060 -6.377 1.00 0.00 N ATOM 528 CA SER A 35 100.813 4.161 -6.501 1.00 0.00 C ATOM 529 C SER A 35 102.238 3.636 -6.399 1.00 0.00 C ATOM 530 O SER A 35 103.083 3.920 -7.249 1.00 0.00 O ATOM 531 CB SER A 35 100.554 5.220 -5.425 1.00 0.00 C ATOM 532 OG SER A 35 101.429 6.324 -5.571 1.00 0.00 O ATOM 0 H SER A 35 99.264 3.107 -5.557 1.00 0.00 H new ATOM 0 HA SER A 35 100.678 4.629 -7.476 1.00 0.00 H new ATOM 0 HB2 SER A 35 99.521 5.561 -5.488 1.00 0.00 H new ATOM 0 HB3 SER A 35 100.684 4.778 -4.437 1.00 0.00 H new ATOM 0 HG SER A 35 101.241 6.985 -4.873 1.00 0.00 H new ATOM 538 N ALA A 36 102.489 2.836 -5.372 1.00 0.00 N ATOM 539 CA ALA A 36 103.811 2.271 -5.142 1.00 0.00 C ATOM 540 C ALA A 36 104.170 1.255 -6.223 1.00 0.00 C ATOM 541 O ALA A 36 105.328 1.141 -6.621 1.00 0.00 O ATOM 542 CB ALA A 36 103.867 1.626 -3.768 1.00 0.00 C ATOM 0 H ALA A 36 101.790 2.563 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 36 104.542 3.078 -5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 36 104.859 1.206 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 36 103.660 2.376 -3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 36 103.122 0.832 -3.708 1.00 0.00 H new ATOM 548 N LYS A 37 103.168 0.533 -6.709 1.00 0.00 N ATOM 549 CA LYS A 37 103.385 -0.471 -7.738 1.00 0.00 C ATOM 550 C LYS A 37 103.774 0.204 -9.053 1.00 0.00 C ATOM 551 O LYS A 37 104.632 -0.290 -9.784 1.00 0.00 O ATOM 552 CB LYS A 37 102.125 -1.326 -7.910 1.00 0.00 C ATOM 553 CG LYS A 37 102.390 -2.741 -8.405 1.00 0.00 C ATOM 554 CD LYS A 37 101.124 -3.583 -8.360 1.00 0.00 C ATOM 555 CE LYS A 37 101.376 -5.026 -8.776 1.00 0.00 C ATOM 556 NZ LYS A 37 102.193 -5.786 -7.784 1.00 0.00 N ATOM 0 H LYS A 37 102.198 0.625 -6.406 1.00 0.00 H new ATOM 0 HA LYS A 37 104.202 -1.126 -7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.604 -1.380 -6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 37 101.455 -0.828 -8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 37 102.772 -2.707 -9.425 1.00 0.00 H new ATOM 0 HG3 LYS A 37 103.162 -3.206 -7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 37 100.713 -3.564 -7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 37 100.374 -3.143 -9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 37 100.420 -5.531 -8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 37 101.884 -5.037 -9.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 102.403 -6.733 -8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 103.083 -5.279 -7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 101.663 -5.876 -6.894 1.00 0.00 H new ATOM 570 N LEU A 38 103.159 1.354 -9.334 1.00 0.00 N ATOM 571 CA LEU A 38 103.515 2.146 -10.511 1.00 0.00 C ATOM 572 C LEU A 38 104.894 2.774 -10.337 1.00 0.00 C ATOM 573 O LEU A 38 105.592 3.053 -11.313 1.00 0.00 O ATOM 574 CB LEU A 38 102.473 3.235 -10.778 1.00 0.00 C ATOM 575 CG LEU A 38 101.102 2.726 -11.226 1.00 0.00 C ATOM 576 CD1 LEU A 38 100.143 3.890 -11.421 1.00 0.00 C ATOM 577 CD2 LEU A 38 101.226 1.913 -12.508 1.00 0.00 C ATOM 0 H LEU A 38 102.415 1.756 -8.764 1.00 0.00 H new ATOM 0 HA LEU A 38 103.538 1.475 -11.370 1.00 0.00 H new ATOM 0 HB2 LEU A 38 102.345 3.824 -9.870 1.00 0.00 H new ATOM 0 HB3 LEU A 38 102.861 3.908 -11.543 1.00 0.00 H new ATOM 0 HG LEU A 38 100.703 2.077 -10.447 1.00 0.00 H new ATOM 0 HD11 LEU A 38 99.172 3.512 -11.740 1.00 0.00 H new ATOM 0 HD12 LEU A 38 100.031 4.431 -10.481 1.00 0.00 H new ATOM 0 HD13 LEU A 38 100.538 4.563 -12.182 1.00 0.00 H new ATOM 0 HD21 LEU A 38 100.241 1.559 -12.811 1.00 0.00 H new ATOM 0 HD22 LEU A 38 101.646 2.538 -13.296 1.00 0.00 H new ATOM 0 HD23 LEU A 38 101.881 1.059 -12.335 1.00 0.00 H new ATOM 589 N HIS A 39 105.285 2.986 -9.086 1.00 0.00 N ATOM 590 CA HIS A 39 106.622 3.479 -8.777 1.00 0.00 C ATOM 591 C HIS A 39 107.660 2.416 -9.119 1.00 0.00 C ATOM 592 O HIS A 39 108.787 2.736 -9.487 1.00 0.00 O ATOM 593 CB HIS A 39 106.731 3.878 -7.298 1.00 0.00 C ATOM 594 CG HIS A 39 106.297 5.285 -7.010 1.00 0.00 C ATOM 595 ND1 HIS A 39 104.993 5.711 -7.104 1.00 0.00 N ATOM 596 CD2 HIS A 39 107.013 6.368 -6.637 1.00 0.00 C ATOM 597 CE1 HIS A 39 104.927 6.995 -6.808 1.00 0.00 C ATOM 598 NE2 HIS A 39 106.140 7.422 -6.520 1.00 0.00 N ATOM 0 H HIS A 39 104.696 2.824 -8.269 1.00 0.00 H new ATOM 0 HA HIS A 39 106.811 4.367 -9.380 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.127 3.194 -6.703 1.00 0.00 H new ATOM 0 HB3 HIS A 39 107.765 3.754 -6.975 1.00 0.00 H new ATOM 0 HD1 HIS A 39 104.199 5.125 -7.363 1.00 0.00 H new ATOM 0 HD2 HIS A 39 108.078 6.399 -6.462 1.00 0.00 H new ATOM 0 HE1 HIS A 39 104.029 7.595 -6.803 1.00 0.00 H new ATOM 607 N MET A 40 107.263 1.152 -9.010 1.00 0.00 N ATOM 608 CA MET A 40 108.139 0.043 -9.376 1.00 0.00 C ATOM 609 C MET A 40 108.206 -0.103 -10.893 1.00 0.00 C ATOM 610 O MET A 40 109.204 -0.568 -11.435 1.00 0.00 O ATOM 611 CB MET A 40 107.662 -1.269 -8.748 1.00 0.00 C ATOM 612 CG MET A 40 107.574 -1.226 -7.232 1.00 0.00 C ATOM 613 SD MET A 40 107.274 -2.849 -6.503 1.00 0.00 S ATOM 614 CE MET A 40 105.842 -3.391 -7.431 1.00 0.00 C ATOM 0 H MET A 40 106.343 0.870 -8.672 1.00 0.00 H new ATOM 0 HA MET A 40 109.135 0.265 -8.993 1.00 0.00 H new ATOM 0 HB2 MET A 40 106.681 -1.519 -9.153 1.00 0.00 H new ATOM 0 HB3 MET A 40 108.342 -2.069 -9.041 1.00 0.00 H new ATOM 0 HG2 MET A 40 108.501 -0.818 -6.830 1.00 0.00 H new ATOM 0 HG3 MET A 40 106.773 -0.547 -6.938 1.00 0.00 H new ATOM 0 HE1 MET A 40 105.079 -3.755 -6.743 1.00 0.00 H new ATOM 0 HE2 MET A 40 105.443 -2.555 -8.006 1.00 0.00 H new ATOM 0 HE3 MET A 40 106.131 -4.193 -8.110 1.00 0.00 H new ATOM 624 N VAL A 41 107.131 0.296 -11.569 1.00 0.00 N ATOM 625 CA VAL A 41 107.102 0.316 -13.032 1.00 0.00 C ATOM 626 C VAL A 41 108.114 1.325 -13.563 1.00 0.00 C ATOM 627 O VAL A 41 108.718 1.127 -14.619 1.00 0.00 O ATOM 628 CB VAL A 41 105.696 0.678 -13.569 1.00 0.00 C ATOM 629 CG1 VAL A 41 105.678 0.706 -15.090 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.660 -0.300 -13.048 1.00 0.00 C ATOM 0 H VAL A 41 106.267 0.610 -11.128 1.00 0.00 H new ATOM 0 HA VAL A 41 107.357 -0.686 -13.378 1.00 0.00 H new ATOM 0 HB VAL A 41 105.448 1.677 -13.210 1.00 0.00 H new ATOM 0 HG11 VAL A 41 104.677 0.963 -15.437 1.00 0.00 H new ATOM 0 HG12 VAL A 41 106.389 1.450 -15.449 1.00 0.00 H new ATOM 0 HG13 VAL A 41 105.955 -0.275 -15.475 1.00 0.00 H new ATOM 0 HG21 VAL A 41 103.678 -0.030 -13.436 1.00 0.00 H new ATOM 0 HG22 VAL A 41 104.915 -1.308 -13.375 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.642 -0.265 -11.959 1.00 0.00 H new ATOM 640 N ALA A 42 108.296 2.401 -12.811 1.00 0.00 N ATOM 641 CA ALA A 42 109.235 3.445 -13.183 1.00 0.00 C ATOM 642 C ALA A 42 110.673 2.981 -12.978 1.00 0.00 C ATOM 643 O ALA A 42 111.587 3.480 -13.627 1.00 0.00 O ATOM 644 CB ALA A 42 108.968 4.706 -12.379 1.00 0.00 C ATOM 0 H ALA A 42 107.802 2.573 -11.935 1.00 0.00 H new ATOM 0 HA ALA A 42 109.096 3.667 -14.241 1.00 0.00 H new ATOM 0 HB1 ALA A 42 109.679 5.480 -12.669 1.00 0.00 H new ATOM 0 HB2 ALA A 42 107.954 5.054 -12.574 1.00 0.00 H new ATOM 0 HB3 ALA A 42 109.079 4.490 -11.316 1.00 0.00 H new ATOM 650 N MET A 43 110.854 2.012 -12.086 1.00 0.00 N ATOM 651 CA MET A 43 112.180 1.494 -11.753 1.00 0.00 C ATOM 652 C MET A 43 112.797 0.753 -12.930 1.00 0.00 C ATOM 653 O MET A 43 112.088 0.265 -13.812 1.00 0.00 O ATOM 654 CB MET A 43 112.100 0.528 -10.570 1.00 0.00 C ATOM 655 CG MET A 43 111.667 1.161 -9.264 1.00 0.00 C ATOM 656 SD MET A 43 111.437 -0.062 -7.961 1.00 0.00 S ATOM 657 CE MET A 43 111.060 0.993 -6.569 1.00 0.00 C ATOM 0 H MET A 43 110.092 1.565 -11.576 1.00 0.00 H new ATOM 0 HA MET A 43 112.802 2.352 -11.497 1.00 0.00 H new ATOM 0 HB2 MET A 43 111.403 -0.272 -10.819 1.00 0.00 H new ATOM 0 HB3 MET A 43 113.078 0.067 -10.428 1.00 0.00 H new ATOM 0 HG2 MET A 43 112.415 1.889 -8.949 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.736 1.706 -9.417 1.00 0.00 H new ATOM 0 HE1 MET A 43 110.447 0.445 -5.853 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.987 1.307 -6.089 1.00 0.00 H new ATOM 0 HE3 MET A 43 110.515 1.871 -6.915 1.00 0.00 H new ATOM 667 N ARG A 44 114.117 0.667 -12.932 1.00 0.00 N ATOM 668 CA ARG A 44 114.824 -0.145 -13.907 1.00 0.00 C ATOM 669 C ARG A 44 115.991 -0.853 -13.234 1.00 0.00 C ATOM 670 O ARG A 44 116.450 -0.432 -12.171 1.00 0.00 O ATOM 671 CB ARG A 44 115.315 0.691 -15.098 1.00 0.00 C ATOM 672 CG ARG A 44 116.483 1.623 -14.797 1.00 0.00 C ATOM 673 CD ARG A 44 116.076 3.087 -14.867 1.00 0.00 C ATOM 674 NE ARG A 44 115.398 3.529 -13.654 1.00 0.00 N ATOM 675 CZ ARG A 44 114.428 4.439 -13.617 1.00 0.00 C ATOM 676 NH1 ARG A 44 114.002 5.028 -14.729 1.00 0.00 N ATOM 677 NH2 ARG A 44 113.885 4.761 -12.454 1.00 0.00 N ATOM 0 H ARG A 44 114.721 1.151 -12.268 1.00 0.00 H new ATOM 0 HA ARG A 44 114.128 -0.886 -14.299 1.00 0.00 H new ATOM 0 HB2 ARG A 44 115.608 0.014 -15.901 1.00 0.00 H new ATOM 0 HB3 ARG A 44 114.482 1.287 -15.472 1.00 0.00 H new ATOM 0 HG2 ARG A 44 116.876 1.403 -13.804 1.00 0.00 H new ATOM 0 HG3 ARG A 44 117.288 1.436 -15.507 1.00 0.00 H new ATOM 0 HD2 ARG A 44 116.962 3.701 -15.030 1.00 0.00 H new ATOM 0 HD3 ARG A 44 115.420 3.239 -15.724 1.00 0.00 H new ATOM 0 HE ARG A 44 115.688 3.110 -12.770 1.00 0.00 H new ATOM 0 HH11 ARG A 44 114.419 4.784 -15.627 1.00 0.00 H new ATOM 0 HH12 ARG A 44 113.257 5.724 -14.685 1.00 0.00 H new ATOM 0 HH21 ARG A 44 114.211 4.313 -11.598 1.00 0.00 H new ATOM 0 HH22 ARG A 44 113.141 5.457 -12.414 1.00 0.00 H new ATOM 691 N ARG A 45 116.452 -1.934 -13.844 1.00 0.00 N ATOM 692 CA ARG A 45 117.564 -2.706 -13.309 1.00 0.00 C ATOM 693 C ARG A 45 118.810 -1.830 -13.172 1.00 0.00 C ATOM 694 O ARG A 45 119.317 -1.292 -14.160 1.00 0.00 O ATOM 695 CB ARG A 45 117.825 -3.908 -14.215 1.00 0.00 C ATOM 696 CG ARG A 45 119.028 -4.741 -13.815 1.00 0.00 C ATOM 697 CD ARG A 45 118.966 -6.128 -14.433 1.00 0.00 C ATOM 698 NE ARG A 45 118.677 -6.092 -15.866 1.00 0.00 N ATOM 699 CZ ARG A 45 119.585 -6.282 -16.823 1.00 0.00 C ATOM 700 NH1 ARG A 45 120.868 -6.452 -16.517 1.00 0.00 N ATOM 701 NH2 ARG A 45 119.200 -6.293 -18.091 1.00 0.00 N ATOM 0 H ARG A 45 116.070 -2.299 -14.717 1.00 0.00 H new ATOM 0 HA ARG A 45 117.310 -3.068 -12.313 1.00 0.00 H new ATOM 0 HB2 ARG A 45 116.941 -4.545 -14.217 1.00 0.00 H new ATOM 0 HB3 ARG A 45 117.966 -3.555 -15.236 1.00 0.00 H new ATOM 0 HG2 ARG A 45 119.942 -4.239 -14.132 1.00 0.00 H new ATOM 0 HG3 ARG A 45 119.070 -4.825 -12.729 1.00 0.00 H new ATOM 0 HD2 ARG A 45 119.916 -6.637 -14.270 1.00 0.00 H new ATOM 0 HD3 ARG A 45 118.199 -6.714 -13.926 1.00 0.00 H new ATOM 0 HE ARG A 45 117.715 -5.909 -16.153 1.00 0.00 H new ATOM 0 HH11 ARG A 45 121.166 -6.438 -15.542 1.00 0.00 H new ATOM 0 HH12 ARG A 45 121.554 -6.597 -17.258 1.00 0.00 H new ATOM 0 HH21 ARG A 45 118.217 -6.157 -18.327 1.00 0.00 H new ATOM 0 HH22 ARG A 45 119.887 -6.438 -18.831 1.00 0.00 H new ATOM 715 N GLY A 46 119.294 -1.682 -11.942 1.00 0.00 N ATOM 716 CA GLY A 46 120.378 -0.754 -11.685 1.00 0.00 C ATOM 717 C GLY A 46 119.968 0.338 -10.717 1.00 0.00 C ATOM 718 O GLY A 46 120.813 1.078 -10.211 1.00 0.00 O ATOM 0 H GLY A 46 118.956 -2.186 -11.123 1.00 0.00 H new ATOM 0 HA2 GLY A 46 121.232 -1.296 -11.280 1.00 0.00 H new ATOM 0 HA3 GLY A 46 120.702 -0.305 -12.624 1.00 0.00 H new ATOM 722 N ASP A 47 118.665 0.459 -10.482 1.00 0.00 N ATOM 723 CA ASP A 47 118.152 1.369 -9.462 1.00 0.00 C ATOM 724 C ASP A 47 118.427 0.794 -8.085 1.00 0.00 C ATOM 725 O ASP A 47 118.499 -0.422 -7.922 1.00 0.00 O ATOM 726 CB ASP A 47 116.646 1.603 -9.630 1.00 0.00 C ATOM 727 CG ASP A 47 116.308 2.566 -10.749 1.00 0.00 C ATOM 728 OD1 ASP A 47 117.199 2.892 -11.562 1.00 0.00 O ATOM 729 OD2 ASP A 47 115.146 3.016 -10.819 1.00 0.00 O ATOM 0 H ASP A 47 117.945 -0.061 -10.983 1.00 0.00 H new ATOM 0 HA ASP A 47 118.659 2.327 -9.574 1.00 0.00 H new ATOM 0 HB2 ASP A 47 116.157 0.648 -9.822 1.00 0.00 H new ATOM 0 HB3 ASP A 47 116.239 1.987 -8.695 1.00 0.00 H new ATOM 734 N ARG A 48 118.579 1.655 -7.097 1.00 0.00 N ATOM 735 CA ARG A 48 118.904 1.207 -5.752 1.00 0.00 C ATOM 736 C ARG A 48 117.957 1.834 -4.737 1.00 0.00 C ATOM 737 O ARG A 48 117.629 3.015 -4.826 1.00 0.00 O ATOM 738 CB ARG A 48 120.364 1.533 -5.424 1.00 0.00 C ATOM 739 CG ARG A 48 121.345 0.879 -6.389 1.00 0.00 C ATOM 740 CD ARG A 48 122.789 1.203 -6.049 1.00 0.00 C ATOM 741 NE ARG A 48 123.186 0.670 -4.744 1.00 0.00 N ATOM 742 CZ ARG A 48 123.970 -0.401 -4.585 1.00 0.00 C ATOM 743 NH1 ARG A 48 124.337 -1.128 -5.633 1.00 0.00 N ATOM 744 NH2 ARG A 48 124.361 -0.765 -3.371 1.00 0.00 N ATOM 0 H ARG A 48 118.484 2.666 -7.197 1.00 0.00 H new ATOM 0 HA ARG A 48 118.779 0.125 -5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 48 120.504 2.614 -5.447 1.00 0.00 H new ATOM 0 HB3 ARG A 48 120.586 1.204 -4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 48 121.203 -0.202 -6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 48 121.129 1.212 -7.404 1.00 0.00 H new ATOM 0 HD2 ARG A 48 123.442 0.794 -6.820 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.927 2.284 -6.055 1.00 0.00 H new ATOM 0 HE ARG A 48 122.844 1.144 -3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 48 124.021 -0.871 -6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 48 124.935 -1.944 -5.503 1.00 0.00 H new ATOM 0 HH21 ARG A 48 124.063 -0.227 -2.557 1.00 0.00 H new ATOM 0 HH22 ARG A 48 124.959 -1.583 -3.252 1.00 0.00 H new ATOM 758 N ALA A 49 117.514 1.035 -3.781 1.00 0.00 N ATOM 759 CA ALA A 49 116.518 1.474 -2.819 1.00 0.00 C ATOM 760 C ALA A 49 116.968 1.210 -1.389 1.00 0.00 C ATOM 761 O ALA A 49 117.857 0.394 -1.148 1.00 0.00 O ATOM 762 CB ALA A 49 115.194 0.775 -3.092 1.00 0.00 C ATOM 0 H ALA A 49 117.830 0.074 -3.650 1.00 0.00 H new ATOM 0 HA ALA A 49 116.390 2.551 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 49 114.451 1.108 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 49 114.854 1.019 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 49 115.327 -0.303 -3.006 1.00 0.00 H new ATOM 768 N PHE A 50 116.347 1.900 -0.447 1.00 0.00 N ATOM 769 CA PHE A 50 116.619 1.683 0.964 1.00 0.00 C ATOM 770 C PHE A 50 115.697 0.614 1.518 1.00 0.00 C ATOM 771 O PHE A 50 114.493 0.625 1.260 1.00 0.00 O ATOM 772 CB PHE A 50 116.421 2.967 1.774 1.00 0.00 C ATOM 773 CG PHE A 50 117.576 3.927 1.735 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.879 3.476 1.876 1.00 0.00 C ATOM 775 CD2 PHE A 50 117.353 5.287 1.590 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.939 4.364 1.867 1.00 0.00 C ATOM 777 CE2 PHE A 50 118.408 6.177 1.578 1.00 0.00 C ATOM 778 CZ PHE A 50 119.701 5.717 1.719 1.00 0.00 C ATOM 0 H PHE A 50 115.648 2.618 -0.635 1.00 0.00 H new ATOM 0 HA PHE A 50 117.658 1.365 1.050 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.531 3.478 1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 50 116.227 2.697 2.812 1.00 0.00 H new ATOM 0 HD1 PHE A 50 119.069 2.419 1.994 1.00 0.00 H new ATOM 0 HD2 PHE A 50 116.343 5.655 1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.950 4.001 1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 50 118.221 7.234 1.458 1.00 0.00 H new ATOM 0 HZ PHE A 50 120.526 6.414 1.714 1.00 0.00 H new ATOM 788 N TYR A 51 116.266 -0.314 2.266 1.00 0.00 N ATOM 789 CA TYR A 51 115.486 -1.346 2.919 1.00 0.00 C ATOM 790 C TYR A 51 115.099 -0.876 4.317 1.00 0.00 C ATOM 791 O TYR A 51 115.910 -0.915 5.248 1.00 0.00 O ATOM 792 CB TYR A 51 116.281 -2.652 2.981 1.00 0.00 C ATOM 793 CG TYR A 51 115.502 -3.826 3.537 1.00 0.00 C ATOM 794 CD1 TYR A 51 114.759 -4.654 2.704 1.00 0.00 C ATOM 795 CD2 TYR A 51 115.514 -4.110 4.896 1.00 0.00 C ATOM 796 CE1 TYR A 51 114.051 -5.729 3.212 1.00 0.00 C ATOM 797 CE2 TYR A 51 114.814 -5.179 5.408 1.00 0.00 C ATOM 798 CZ TYR A 51 114.085 -5.984 4.567 1.00 0.00 C ATOM 799 OH TYR A 51 113.383 -7.047 5.088 1.00 0.00 O ATOM 0 H TYR A 51 117.270 -0.373 2.436 1.00 0.00 H new ATOM 0 HA TYR A 51 114.578 -1.535 2.347 1.00 0.00 H new ATOM 0 HB2 TYR A 51 116.627 -2.902 1.978 1.00 0.00 H new ATOM 0 HB3 TYR A 51 117.168 -2.496 3.594 1.00 0.00 H new ATOM 0 HD1 TYR A 51 114.734 -4.455 1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 51 116.083 -3.480 5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 51 113.477 -6.363 2.553 1.00 0.00 H new ATOM 0 HE2 TYR A 51 114.838 -5.384 6.468 1.00 0.00 H new ATOM 0 HH TYR A 51 113.517 -7.083 6.058 1.00 0.00 H new ATOM 809 N TYR A 52 113.869 -0.408 4.446 1.00 0.00 N ATOM 810 CA TYR A 52 113.378 0.163 5.689 1.00 0.00 C ATOM 811 C TYR A 52 112.325 -0.742 6.321 1.00 0.00 C ATOM 812 O TYR A 52 111.384 -1.174 5.655 1.00 0.00 O ATOM 813 CB TYR A 52 112.799 1.556 5.406 1.00 0.00 C ATOM 814 CG TYR A 52 112.045 2.194 6.557 1.00 0.00 C ATOM 815 CD1 TYR A 52 112.714 2.877 7.564 1.00 0.00 C ATOM 816 CD2 TYR A 52 110.657 2.127 6.622 1.00 0.00 C ATOM 817 CE1 TYR A 52 112.023 3.471 8.604 1.00 0.00 C ATOM 818 CE2 TYR A 52 109.960 2.722 7.657 1.00 0.00 C ATOM 819 CZ TYR A 52 110.647 3.391 8.646 1.00 0.00 C ATOM 820 OH TYR A 52 109.955 3.986 9.679 1.00 0.00 O ATOM 0 H TYR A 52 113.182 -0.413 3.692 1.00 0.00 H new ATOM 0 HA TYR A 52 114.203 0.252 6.396 1.00 0.00 H new ATOM 0 HB2 TYR A 52 113.615 2.218 5.117 1.00 0.00 H new ATOM 0 HB3 TYR A 52 112.128 1.485 4.550 1.00 0.00 H new ATOM 0 HD1 TYR A 52 113.791 2.945 7.534 1.00 0.00 H new ATOM 0 HD2 TYR A 52 110.114 1.601 5.850 1.00 0.00 H new ATOM 0 HE1 TYR A 52 112.559 3.996 9.381 1.00 0.00 H new ATOM 0 HE2 TYR A 52 108.882 2.663 7.690 1.00 0.00 H new ATOM 0 HH TYR A 52 108.994 3.837 9.558 1.00 0.00 H new ATOM 830 N HIS A 53 112.491 -1.038 7.601 1.00 0.00 N ATOM 831 CA HIS A 53 111.517 -1.845 8.320 1.00 0.00 C ATOM 832 C HIS A 53 110.390 -0.981 8.833 1.00 0.00 C ATOM 833 O HIS A 53 110.616 0.113 9.336 1.00 0.00 O ATOM 834 CB HIS A 53 112.152 -2.590 9.490 1.00 0.00 C ATOM 835 CG HIS A 53 112.974 -3.767 9.082 1.00 0.00 C ATOM 836 ND1 HIS A 53 114.269 -3.950 9.499 1.00 0.00 N ATOM 837 CD2 HIS A 53 112.669 -4.843 8.321 1.00 0.00 C ATOM 838 CE1 HIS A 53 114.733 -5.085 9.017 1.00 0.00 C ATOM 839 NE2 HIS A 53 113.779 -5.650 8.296 1.00 0.00 N ATOM 0 H HIS A 53 113.287 -0.733 8.161 1.00 0.00 H new ATOM 0 HA HIS A 53 111.127 -2.579 7.615 1.00 0.00 H new ATOM 0 HB2 HIS A 53 112.780 -1.898 10.051 1.00 0.00 H new ATOM 0 HB3 HIS A 53 111.365 -2.925 10.165 1.00 0.00 H new ATOM 0 HD1 HIS A 53 114.792 -3.306 10.092 1.00 0.00 H new ATOM 0 HD2 HIS A 53 111.728 -5.032 7.826 1.00 0.00 H new ATOM 0 HE1 HIS A 53 115.722 -5.485 9.182 1.00 0.00 H new ATOM 848 N SER A 54 109.176 -1.470 8.701 1.00 0.00 N ATOM 849 CA SER A 54 108.028 -0.749 9.196 1.00 0.00 C ATOM 850 C SER A 54 107.365 -1.521 10.330 1.00 0.00 C ATOM 851 O SER A 54 107.675 -2.695 10.549 1.00 0.00 O ATOM 852 CB SER A 54 107.044 -0.495 8.057 1.00 0.00 C ATOM 853 OG SER A 54 107.670 0.228 7.008 1.00 0.00 O ATOM 0 H SER A 54 108.961 -2.362 8.256 1.00 0.00 H new ATOM 0 HA SER A 54 108.354 0.213 9.591 1.00 0.00 H new ATOM 0 HB2 SER A 54 106.666 -1.444 7.677 1.00 0.00 H new ATOM 0 HB3 SER A 54 106.185 0.064 8.429 1.00 0.00 H new ATOM 0 HG SER A 54 108.318 0.858 7.386 1.00 0.00 H new ATOM 859 N ASN A 55 106.462 -0.846 11.040 1.00 0.00 N ATOM 860 CA ASN A 55 105.793 -1.395 12.222 1.00 0.00 C ATOM 861 C ASN A 55 106.790 -1.546 13.366 1.00 0.00 C ATOM 862 O ASN A 55 106.792 -0.755 14.305 1.00 0.00 O ATOM 863 CB ASN A 55 105.113 -2.739 11.922 1.00 0.00 C ATOM 864 CG ASN A 55 104.236 -3.215 13.067 1.00 0.00 C ATOM 865 OD1 ASN A 55 103.047 -2.903 13.121 1.00 0.00 O ATOM 866 ND2 ASN A 55 104.808 -3.980 13.982 1.00 0.00 N ATOM 0 H ASN A 55 106.171 0.104 10.811 1.00 0.00 H new ATOM 0 HA ASN A 55 105.012 -0.694 12.517 1.00 0.00 H new ATOM 0 HB2 ASN A 55 104.508 -2.643 11.021 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.875 -3.490 11.716 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.260 -4.333 14.767 1.00 0.00 H new ATOM 0 HD22 ASN A 55 105.797 -4.217 13.903 1.00 0.00 H new ATOM 873 N GLU A 56 107.662 -2.536 13.258 1.00 0.00 N ATOM 874 CA GLU A 56 108.687 -2.764 14.260 1.00 0.00 C ATOM 875 C GLU A 56 110.061 -2.452 13.679 1.00 0.00 C ATOM 876 O GLU A 56 110.309 -2.673 12.493 1.00 0.00 O ATOM 877 CB GLU A 56 108.630 -4.205 14.778 1.00 0.00 C ATOM 878 CG GLU A 56 109.716 -4.529 15.791 1.00 0.00 C ATOM 879 CD GLU A 56 109.538 -5.883 16.440 1.00 0.00 C ATOM 880 OE1 GLU A 56 109.270 -6.865 15.719 1.00 0.00 O ATOM 881 OE2 GLU A 56 109.688 -5.975 17.675 1.00 0.00 O ATOM 0 H GLU A 56 107.679 -3.197 12.481 1.00 0.00 H new ATOM 0 HA GLU A 56 108.505 -2.098 15.104 1.00 0.00 H new ATOM 0 HB2 GLU A 56 107.655 -4.381 15.233 1.00 0.00 H new ATOM 0 HB3 GLU A 56 108.715 -4.890 13.934 1.00 0.00 H new ATOM 0 HG2 GLU A 56 110.687 -4.495 15.297 1.00 0.00 H new ATOM 0 HG3 GLU A 56 109.724 -3.761 16.564 1.00 0.00 H new ATOM 888 N GLY A 57 110.933 -1.905 14.511 1.00 0.00 N ATOM 889 CA GLY A 57 112.257 -1.537 14.069 1.00 0.00 C ATOM 890 C GLY A 57 112.276 -0.120 13.556 1.00 0.00 C ATOM 891 O GLY A 57 112.938 0.747 14.127 1.00 0.00 O ATOM 0 H GLY A 57 110.743 -1.709 15.494 1.00 0.00 H new ATOM 0 HA2 GLY A 57 112.962 -1.639 14.894 1.00 0.00 H new ATOM 0 HA3 GLY A 57 112.585 -2.217 13.283 1.00 0.00 H new ATOM 895 N LYS A 58 111.499 0.113 12.501 1.00 0.00 N ATOM 896 CA LYS A 58 111.364 1.437 11.901 1.00 0.00 C ATOM 897 C LYS A 58 112.722 2.003 11.519 1.00 0.00 C ATOM 898 O LYS A 58 112.996 3.177 11.758 1.00 0.00 O ATOM 899 CB LYS A 58 110.666 2.398 12.867 1.00 0.00 C ATOM 900 CG LYS A 58 109.290 1.941 13.314 1.00 0.00 C ATOM 901 CD LYS A 58 108.621 2.998 14.174 1.00 0.00 C ATOM 902 CE LYS A 58 107.238 2.561 14.623 1.00 0.00 C ATOM 903 NZ LYS A 58 106.320 2.347 13.471 1.00 0.00 N ATOM 0 H LYS A 58 110.946 -0.609 12.039 1.00 0.00 H new ATOM 0 HA LYS A 58 110.760 1.331 11.000 1.00 0.00 H new ATOM 0 HB2 LYS A 58 111.296 2.532 13.747 1.00 0.00 H new ATOM 0 HB3 LYS A 58 110.575 3.373 12.389 1.00 0.00 H new ATOM 0 HG2 LYS A 58 108.671 1.731 12.442 1.00 0.00 H new ATOM 0 HG3 LYS A 58 109.376 1.011 13.875 1.00 0.00 H new ATOM 0 HD2 LYS A 58 109.240 3.202 15.048 1.00 0.00 H new ATOM 0 HD3 LYS A 58 108.544 3.929 13.613 1.00 0.00 H new ATOM 0 HE2 LYS A 58 107.318 1.639 15.199 1.00 0.00 H new ATOM 0 HE3 LYS A 58 106.817 3.316 15.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 105.416 2.829 13.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 106.751 2.734 12.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 106.150 1.328 13.347 1.00 0.00 H new ATOM 917 N GLU A 59 113.567 1.184 10.916 1.00 0.00 N ATOM 918 CA GLU A 59 114.909 1.631 10.580 1.00 0.00 C ATOM 919 C GLU A 59 115.341 1.143 9.203 1.00 0.00 C ATOM 920 O GLU A 59 114.799 0.170 8.668 1.00 0.00 O ATOM 921 CB GLU A 59 115.931 1.192 11.646 1.00 0.00 C ATOM 922 CG GLU A 59 116.472 -0.225 11.495 1.00 0.00 C ATOM 923 CD GLU A 59 115.466 -1.303 11.835 1.00 0.00 C ATOM 924 OE1 GLU A 59 115.284 -1.592 13.036 1.00 0.00 O ATOM 925 OE2 GLU A 59 114.880 -1.887 10.905 1.00 0.00 O ATOM 0 H GLU A 59 113.354 0.222 10.652 1.00 0.00 H new ATOM 0 HA GLU A 59 114.881 2.720 10.557 1.00 0.00 H new ATOM 0 HB2 GLU A 59 116.771 1.886 11.626 1.00 0.00 H new ATOM 0 HB3 GLU A 59 115.466 1.282 12.628 1.00 0.00 H new ATOM 0 HG2 GLU A 59 116.810 -0.367 10.468 1.00 0.00 H new ATOM 0 HG3 GLU A 59 117.345 -0.341 12.137 1.00 0.00 H new ATOM 932 N ILE A 60 116.300 1.852 8.627 1.00 0.00 N ATOM 933 CA ILE A 60 116.912 1.449 7.374 1.00 0.00 C ATOM 934 C ILE A 60 118.194 0.686 7.674 1.00 0.00 C ATOM 935 O ILE A 60 119.125 1.233 8.268 1.00 0.00 O ATOM 936 CB ILE A 60 117.239 2.664 6.480 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.981 3.504 6.241 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.830 2.200 5.154 1.00 0.00 C ATOM 939 CD1 ILE A 60 116.229 4.770 5.448 1.00 0.00 C ATOM 0 H ILE A 60 116.673 2.719 9.014 1.00 0.00 H new ATOM 0 HA ILE A 60 116.204 0.819 6.836 1.00 0.00 H new ATOM 0 HB ILE A 60 117.976 3.284 6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 60 115.245 2.896 5.715 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.545 3.770 7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 60 118.056 3.067 4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.746 1.639 5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 60 117.112 1.562 4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 60 115.290 5.309 5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.940 5.400 5.982 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.635 4.513 4.470 1.00 0.00 H new ATOM 951 N VAL A 61 118.235 -0.576 7.281 1.00 0.00 N ATOM 952 CA VAL A 61 119.362 -1.433 7.631 1.00 0.00 C ATOM 953 C VAL A 61 120.287 -1.701 6.448 1.00 0.00 C ATOM 954 O VAL A 61 121.457 -2.029 6.639 1.00 0.00 O ATOM 955 CB VAL A 61 118.893 -2.783 8.216 1.00 0.00 C ATOM 956 CG1 VAL A 61 118.266 -2.592 9.588 1.00 0.00 C ATOM 957 CG2 VAL A 61 117.913 -3.465 7.274 1.00 0.00 C ATOM 0 H VAL A 61 117.510 -1.029 6.725 1.00 0.00 H new ATOM 0 HA VAL A 61 119.921 -0.883 8.388 1.00 0.00 H new ATOM 0 HB VAL A 61 119.768 -3.424 8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 61 117.944 -3.557 9.978 1.00 0.00 H new ATOM 0 HG12 VAL A 61 118.999 -2.153 10.265 1.00 0.00 H new ATOM 0 HG13 VAL A 61 117.405 -1.929 9.505 1.00 0.00 H new ATOM 0 HG21 VAL A 61 117.595 -4.414 7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 61 117.044 -2.824 7.127 1.00 0.00 H new ATOM 0 HG23 VAL A 61 118.397 -3.646 6.314 1.00 0.00 H new ATOM 967 N GLY A 62 119.785 -1.561 5.228 1.00 0.00 N ATOM 968 CA GLY A 62 120.602 -1.893 4.081 1.00 0.00 C ATOM 969 C GLY A 62 120.097 -1.302 2.787 1.00 0.00 C ATOM 970 O GLY A 62 119.044 -0.660 2.751 1.00 0.00 O ATOM 0 H GLY A 62 118.844 -1.230 5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.620 -1.544 4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 62 120.650 -2.977 3.981 1.00 0.00 H new ATOM 974 N ILE A 63 120.858 -1.533 1.727 1.00 0.00 N ATOM 975 CA ILE A 63 120.550 -1.016 0.406 1.00 0.00 C ATOM 976 C ILE A 63 120.247 -2.161 -0.556 1.00 0.00 C ATOM 977 O ILE A 63 121.055 -3.081 -0.721 1.00 0.00 O ATOM 978 CB ILE A 63 121.733 -0.191 -0.146 1.00 0.00 C ATOM 979 CG1 ILE A 63 122.066 0.961 0.806 1.00 0.00 C ATOM 980 CG2 ILE A 63 121.414 0.337 -1.537 1.00 0.00 C ATOM 981 CD1 ILE A 63 123.355 1.677 0.467 1.00 0.00 C ATOM 0 H ILE A 63 121.712 -2.089 1.762 1.00 0.00 H new ATOM 0 HA ILE A 63 119.674 -0.373 0.493 1.00 0.00 H new ATOM 0 HB ILE A 63 122.605 -0.841 -0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 63 121.247 1.680 0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 63 122.133 0.573 1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 63 122.259 0.916 -1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 63 121.223 -0.500 -2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 63 120.531 0.974 -1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 63 123.525 2.480 1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 63 124.185 0.972 0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 63 123.285 2.096 -0.537 1.00 0.00 H new ATOM 993 N ALA A 64 119.084 -2.100 -1.184 1.00 0.00 N ATOM 994 CA ALA A 64 118.679 -3.109 -2.150 1.00 0.00 C ATOM 995 C ALA A 64 118.839 -2.571 -3.567 1.00 0.00 C ATOM 996 O ALA A 64 118.887 -1.360 -3.771 1.00 0.00 O ATOM 997 CB ALA A 64 117.239 -3.534 -1.897 1.00 0.00 C ATOM 0 H ALA A 64 118.400 -1.357 -1.041 1.00 0.00 H new ATOM 0 HA ALA A 64 119.320 -3.984 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 64 116.949 -4.289 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 64 117.153 -3.948 -0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.583 -2.669 -1.990 1.00 0.00 H new ATOM 1003 N GLU A 65 118.933 -3.464 -4.538 1.00 0.00 N ATOM 1004 CA GLU A 65 119.086 -3.061 -5.928 1.00 0.00 C ATOM 1005 C GLU A 65 118.032 -3.733 -6.794 1.00 0.00 C ATOM 1006 O GLU A 65 117.757 -4.927 -6.640 1.00 0.00 O ATOM 1007 CB GLU A 65 120.482 -3.424 -6.427 1.00 0.00 C ATOM 1008 CG GLU A 65 120.888 -2.729 -7.712 1.00 0.00 C ATOM 1009 CD GLU A 65 122.320 -3.033 -8.084 1.00 0.00 C ATOM 1010 OE1 GLU A 65 122.621 -4.211 -8.367 1.00 0.00 O ATOM 1011 OE2 GLU A 65 123.155 -2.104 -8.067 1.00 0.00 O ATOM 0 H GLU A 65 118.906 -4.473 -4.391 1.00 0.00 H new ATOM 0 HA GLU A 65 118.955 -1.981 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 65 121.207 -3.179 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.531 -4.502 -6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 65 120.228 -3.044 -8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 65 120.762 -1.652 -7.599 1.00 0.00 H new ATOM 1018 N ILE A 66 117.440 -2.959 -7.686 1.00 0.00 N ATOM 1019 CA ILE A 66 116.451 -3.471 -8.619 1.00 0.00 C ATOM 1020 C ILE A 66 117.155 -4.278 -9.700 1.00 0.00 C ATOM 1021 O ILE A 66 117.936 -3.732 -10.481 1.00 0.00 O ATOM 1022 CB ILE A 66 115.654 -2.326 -9.289 1.00 0.00 C ATOM 1023 CG1 ILE A 66 115.194 -1.288 -8.253 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.457 -2.884 -10.049 1.00 0.00 C ATOM 1025 CD1 ILE A 66 114.322 -1.851 -7.154 1.00 0.00 C ATOM 0 H ILE A 66 117.630 -1.962 -7.784 1.00 0.00 H new ATOM 0 HA ILE A 66 115.753 -4.096 -8.062 1.00 0.00 H new ATOM 0 HB ILE A 66 116.316 -1.826 -9.996 1.00 0.00 H new ATOM 0 HG12 ILE A 66 116.073 -0.827 -7.803 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.647 -0.497 -8.766 1.00 0.00 H new ATOM 0 HG21 ILE A 66 113.908 -2.065 -10.514 1.00 0.00 H new ATOM 0 HG22 ILE A 66 114.804 -3.572 -10.820 1.00 0.00 H new ATOM 0 HG23 ILE A 66 113.802 -3.414 -9.358 1.00 0.00 H new ATOM 0 HD11 ILE A 66 114.042 -1.053 -6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.423 -2.286 -7.590 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.871 -2.621 -6.612 1.00 0.00 H new ATOM 1037 N ILE A 67 116.901 -5.577 -9.738 1.00 0.00 N ATOM 1038 CA ILE A 67 117.559 -6.442 -10.703 1.00 0.00 C ATOM 1039 C ILE A 67 116.586 -6.944 -11.753 1.00 0.00 C ATOM 1040 O ILE A 67 116.958 -7.701 -12.647 1.00 0.00 O ATOM 1041 CB ILE A 67 118.248 -7.644 -10.028 1.00 0.00 C ATOM 1042 CG1 ILE A 67 117.249 -8.441 -9.181 1.00 0.00 C ATOM 1043 CG2 ILE A 67 119.411 -7.158 -9.183 1.00 0.00 C ATOM 1044 CD1 ILE A 67 117.835 -9.686 -8.551 1.00 0.00 C ATOM 0 H ILE A 67 116.248 -6.053 -9.115 1.00 0.00 H new ATOM 0 HA ILE A 67 118.323 -5.833 -11.187 1.00 0.00 H new ATOM 0 HB ILE A 67 118.630 -8.312 -10.800 1.00 0.00 H new ATOM 0 HG12 ILE A 67 116.860 -7.796 -8.393 1.00 0.00 H new ATOM 0 HG13 ILE A 67 116.403 -8.726 -9.807 1.00 0.00 H new ATOM 0 HG21 ILE A 67 119.896 -8.010 -8.707 1.00 0.00 H new ATOM 0 HG22 ILE A 67 120.130 -6.639 -9.817 1.00 0.00 H new ATOM 0 HG23 ILE A 67 119.044 -6.475 -8.417 1.00 0.00 H new ATOM 0 HD11 ILE A 67 117.067 -10.195 -7.968 1.00 0.00 H new ATOM 0 HD12 ILE A 67 118.199 -10.353 -9.333 1.00 0.00 H new ATOM 0 HD13 ILE A 67 118.662 -9.408 -7.897 1.00 0.00 H new ATOM 1056 N ARG A 68 115.341 -6.519 -11.645 1.00 0.00 N ATOM 1057 CA ARG A 68 114.335 -6.879 -12.625 1.00 0.00 C ATOM 1058 C ARG A 68 113.281 -5.792 -12.708 1.00 0.00 C ATOM 1059 O ARG A 68 112.791 -5.314 -11.685 1.00 0.00 O ATOM 1060 CB ARG A 68 113.678 -8.210 -12.266 1.00 0.00 C ATOM 1061 CG ARG A 68 112.717 -8.707 -13.327 1.00 0.00 C ATOM 1062 CD ARG A 68 113.441 -9.041 -14.618 1.00 0.00 C ATOM 1063 NE ARG A 68 112.517 -9.359 -15.704 1.00 0.00 N ATOM 1064 CZ ARG A 68 112.142 -10.596 -16.027 1.00 0.00 C ATOM 1065 NH1 ARG A 68 112.541 -11.629 -15.297 1.00 0.00 N ATOM 1066 NH2 ARG A 68 111.342 -10.792 -17.067 1.00 0.00 N ATOM 0 H ARG A 68 115.003 -5.924 -10.888 1.00 0.00 H new ATOM 0 HA ARG A 68 114.823 -6.985 -13.594 1.00 0.00 H new ATOM 0 HB2 ARG A 68 114.453 -8.959 -12.108 1.00 0.00 H new ATOM 0 HB3 ARG A 68 113.143 -8.101 -11.323 1.00 0.00 H new ATOM 0 HG2 ARG A 68 112.195 -9.591 -12.962 1.00 0.00 H new ATOM 0 HG3 ARG A 68 111.960 -7.947 -13.519 1.00 0.00 H new ATOM 0 HD2 ARG A 68 114.066 -8.197 -14.911 1.00 0.00 H new ATOM 0 HD3 ARG A 68 114.107 -9.888 -14.450 1.00 0.00 H new ATOM 0 HE ARG A 68 112.135 -8.586 -16.249 1.00 0.00 H new ATOM 0 HH11 ARG A 68 113.138 -11.479 -14.484 1.00 0.00 H new ATOM 0 HH12 ARG A 68 112.251 -12.574 -15.549 1.00 0.00 H new ATOM 0 HH21 ARG A 68 111.016 -9.997 -17.617 1.00 0.00 H new ATOM 0 HH22 ARG A 68 111.053 -11.738 -17.317 1.00 0.00 H new ATOM 1080 N GLU A 69 112.955 -5.400 -13.926 1.00 0.00 N ATOM 1081 CA GLU A 69 111.953 -4.380 -14.162 1.00 0.00 C ATOM 1082 C GLU A 69 110.550 -4.974 -14.054 1.00 0.00 C ATOM 1083 O GLU A 69 110.389 -6.167 -13.787 1.00 0.00 O ATOM 1084 CB GLU A 69 112.170 -3.743 -15.538 1.00 0.00 C ATOM 1085 CG GLU A 69 113.618 -3.341 -15.797 1.00 0.00 C ATOM 1086 CD GLU A 69 114.403 -4.397 -16.554 1.00 0.00 C ATOM 1087 OE1 GLU A 69 114.347 -5.583 -16.169 1.00 0.00 O ATOM 1088 OE2 GLU A 69 115.089 -4.042 -17.530 1.00 0.00 O ATOM 0 H GLU A 69 113.376 -5.778 -14.775 1.00 0.00 H new ATOM 0 HA GLU A 69 112.051 -3.605 -13.401 1.00 0.00 H new ATOM 0 HB2 GLU A 69 111.852 -4.444 -16.309 1.00 0.00 H new ATOM 0 HB3 GLU A 69 111.535 -2.862 -15.627 1.00 0.00 H new ATOM 0 HG2 GLU A 69 113.635 -2.409 -16.363 1.00 0.00 H new ATOM 0 HG3 GLU A 69 114.110 -3.144 -14.845 1.00 0.00 H new ATOM 1095 N ALA A 70 109.543 -4.142 -14.271 1.00 0.00 N ATOM 1096 CA ALA A 70 108.156 -4.544 -14.069 1.00 0.00 C ATOM 1097 C ALA A 70 107.681 -5.546 -15.121 1.00 0.00 C ATOM 1098 O ALA A 70 107.480 -5.198 -16.288 1.00 0.00 O ATOM 1099 CB ALA A 70 107.254 -3.320 -14.064 1.00 0.00 C ATOM 0 H ALA A 70 109.659 -3.180 -14.588 1.00 0.00 H new ATOM 0 HA ALA A 70 108.101 -5.043 -13.102 1.00 0.00 H new ATOM 0 HB1 ALA A 70 106.220 -3.630 -13.913 1.00 0.00 H new ATOM 0 HB2 ALA A 70 107.554 -2.651 -13.258 1.00 0.00 H new ATOM 0 HB3 ALA A 70 107.341 -2.800 -15.018 1.00 0.00 H new ATOM 1105 N TYR A 71 107.513 -6.792 -14.699 1.00 0.00 N ATOM 1106 CA TYR A 71 106.945 -7.828 -15.555 1.00 0.00 C ATOM 1107 C TYR A 71 105.642 -8.336 -14.932 1.00 0.00 C ATOM 1108 O TYR A 71 105.346 -7.996 -13.791 1.00 0.00 O ATOM 1109 CB TYR A 71 107.950 -8.976 -15.761 1.00 0.00 C ATOM 1110 CG TYR A 71 108.328 -9.733 -14.503 1.00 0.00 C ATOM 1111 CD1 TYR A 71 109.387 -9.315 -13.710 1.00 0.00 C ATOM 1112 CD2 TYR A 71 107.638 -10.879 -14.120 1.00 0.00 C ATOM 1113 CE1 TYR A 71 109.748 -10.011 -12.575 1.00 0.00 C ATOM 1114 CE2 TYR A 71 107.998 -11.583 -12.986 1.00 0.00 C ATOM 1115 CZ TYR A 71 109.051 -11.142 -12.216 1.00 0.00 C ATOM 1116 OH TYR A 71 109.426 -11.847 -11.094 1.00 0.00 O ATOM 0 H TYR A 71 107.763 -7.112 -13.764 1.00 0.00 H new ATOM 0 HA TYR A 71 106.727 -7.408 -16.537 1.00 0.00 H new ATOM 0 HB2 TYR A 71 107.530 -9.681 -16.479 1.00 0.00 H new ATOM 0 HB3 TYR A 71 108.857 -8.568 -16.208 1.00 0.00 H new ATOM 0 HD1 TYR A 71 109.939 -8.429 -13.986 1.00 0.00 H new ATOM 0 HD2 TYR A 71 106.808 -11.224 -14.718 1.00 0.00 H new ATOM 0 HE1 TYR A 71 110.575 -9.669 -11.970 1.00 0.00 H new ATOM 0 HE2 TYR A 71 107.456 -12.474 -12.705 1.00 0.00 H new ATOM 0 HH TYR A 71 110.253 -11.468 -10.731 1.00 0.00 H new ATOM 1126 N PRO A 72 104.836 -9.124 -15.666 1.00 0.00 N ATOM 1127 CA PRO A 72 103.570 -9.661 -15.150 1.00 0.00 C ATOM 1128 C PRO A 72 103.734 -10.384 -13.812 1.00 0.00 C ATOM 1129 O PRO A 72 104.481 -11.359 -13.706 1.00 0.00 O ATOM 1130 CB PRO A 72 103.111 -10.646 -16.237 1.00 0.00 C ATOM 1131 CG PRO A 72 104.284 -10.819 -17.145 1.00 0.00 C ATOM 1132 CD PRO A 72 105.070 -9.546 -17.053 1.00 0.00 C ATOM 0 HA PRO A 72 102.854 -8.863 -14.954 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.809 -11.598 -15.801 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.249 -10.257 -16.780 1.00 0.00 H new ATOM 0 HG2 PRO A 72 104.889 -11.674 -16.842 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.960 -11.004 -18.169 1.00 0.00 H new ATOM 0 HD2 PRO A 72 106.129 -9.708 -17.254 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.720 -8.801 -17.768 1.00 0.00 H new ATOM 1140 N ASP A 73 103.031 -9.884 -12.799 1.00 0.00 N ATOM 1141 CA ASP A 73 103.065 -10.458 -11.452 1.00 0.00 C ATOM 1142 C ASP A 73 102.569 -11.898 -11.490 1.00 0.00 C ATOM 1143 O ASP A 73 101.417 -12.154 -11.853 1.00 0.00 O ATOM 1144 CB ASP A 73 102.184 -9.623 -10.507 1.00 0.00 C ATOM 1145 CG ASP A 73 102.396 -9.922 -9.026 1.00 0.00 C ATOM 1146 OD1 ASP A 73 102.443 -11.112 -8.644 1.00 0.00 O ATOM 1147 OD2 ASP A 73 102.482 -8.949 -8.233 1.00 0.00 O ATOM 0 H ASP A 73 102.422 -9.071 -12.886 1.00 0.00 H new ATOM 0 HA ASP A 73 104.091 -10.446 -11.084 1.00 0.00 H new ATOM 0 HB2 ASP A 73 102.381 -8.566 -10.684 1.00 0.00 H new ATOM 0 HB3 ASP A 73 101.137 -9.798 -10.755 1.00 0.00 H new ATOM 1152 N PRO A 74 103.434 -12.859 -11.123 1.00 0.00 N ATOM 1153 CA PRO A 74 103.109 -14.290 -11.167 1.00 0.00 C ATOM 1154 C PRO A 74 101.975 -14.672 -10.217 1.00 0.00 C ATOM 1155 O PRO A 74 101.464 -15.794 -10.266 1.00 0.00 O ATOM 1156 CB PRO A 74 104.411 -14.976 -10.735 1.00 0.00 C ATOM 1157 CG PRO A 74 105.473 -13.944 -10.899 1.00 0.00 C ATOM 1158 CD PRO A 74 104.805 -12.626 -10.646 1.00 0.00 C ATOM 0 HA PRO A 74 102.761 -14.584 -12.157 1.00 0.00 H new ATOM 0 HB2 PRO A 74 104.351 -15.318 -9.702 1.00 0.00 H new ATOM 0 HB3 PRO A 74 104.616 -15.853 -11.349 1.00 0.00 H new ATOM 0 HG2 PRO A 74 106.290 -14.109 -10.197 1.00 0.00 H new ATOM 0 HG3 PRO A 74 105.901 -13.979 -11.901 1.00 0.00 H new ATOM 0 HD2 PRO A 74 104.826 -12.358 -9.590 1.00 0.00 H new ATOM 0 HD3 PRO A 74 105.290 -11.816 -11.190 1.00 0.00 H new ATOM 1242 N PHE A 81 98.795 -7.206 -12.745 1.00 0.00 N ATOM 1243 CA PHE A 81 99.712 -6.636 -11.778 1.00 0.00 C ATOM 1244 C PHE A 81 101.148 -6.832 -12.253 1.00 0.00 C ATOM 1245 O PHE A 81 101.427 -7.738 -13.037 1.00 0.00 O ATOM 1246 CB PHE A 81 99.511 -7.284 -10.406 1.00 0.00 C ATOM 1247 CG PHE A 81 98.184 -6.969 -9.770 1.00 0.00 C ATOM 1248 CD1 PHE A 81 97.943 -5.719 -9.224 1.00 0.00 C ATOM 1249 CD2 PHE A 81 97.182 -7.923 -9.710 1.00 0.00 C ATOM 1250 CE1 PHE A 81 96.730 -5.427 -8.631 1.00 0.00 C ATOM 1251 CE2 PHE A 81 95.967 -7.637 -9.119 1.00 0.00 C ATOM 1252 CZ PHE A 81 95.740 -6.387 -8.579 1.00 0.00 C ATOM 0 HA PHE A 81 99.511 -5.569 -11.685 1.00 0.00 H new ATOM 0 HB2 PHE A 81 99.606 -8.365 -10.509 1.00 0.00 H new ATOM 0 HB3 PHE A 81 100.309 -6.956 -9.740 1.00 0.00 H new ATOM 0 HD1 PHE A 81 98.713 -4.963 -9.262 1.00 0.00 H new ATOM 0 HD2 PHE A 81 97.353 -8.903 -10.131 1.00 0.00 H new ATOM 0 HE1 PHE A 81 96.557 -4.448 -8.208 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.195 -8.391 -9.079 1.00 0.00 H new ATOM 0 HZ PHE A 81 94.790 -6.161 -8.117 1.00 0.00 H new ATOM 1262 N VAL A 82 102.048 -5.976 -11.797 1.00 0.00 N ATOM 1263 CA VAL A 82 103.453 -6.082 -12.167 1.00 0.00 C ATOM 1264 C VAL A 82 104.325 -6.390 -10.952 1.00 0.00 C ATOM 1265 O VAL A 82 104.056 -5.926 -9.842 1.00 0.00 O ATOM 1266 CB VAL A 82 103.960 -4.789 -12.840 1.00 0.00 C ATOM 1267 CG1 VAL A 82 103.288 -4.587 -14.190 1.00 0.00 C ATOM 1268 CG2 VAL A 82 103.721 -3.589 -11.937 1.00 0.00 C ATOM 0 H VAL A 82 101.833 -5.200 -11.171 1.00 0.00 H new ATOM 0 HA VAL A 82 103.528 -6.904 -12.879 1.00 0.00 H new ATOM 0 HB VAL A 82 105.033 -4.886 -13.005 1.00 0.00 H new ATOM 0 HG11 VAL A 82 103.659 -3.670 -14.648 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.513 -5.433 -14.839 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.209 -4.513 -14.052 1.00 0.00 H new ATOM 0 HG21 VAL A 82 104.085 -2.686 -12.428 1.00 0.00 H new ATOM 0 HG22 VAL A 82 102.654 -3.490 -11.739 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.253 -3.730 -10.996 1.00 0.00 H new ATOM 1278 N CYS A 83 105.365 -7.170 -11.170 1.00 0.00 N ATOM 1279 CA CYS A 83 106.283 -7.541 -10.114 1.00 0.00 C ATOM 1280 C CYS A 83 107.707 -7.165 -10.497 1.00 0.00 C ATOM 1281 O CYS A 83 108.051 -7.134 -11.680 1.00 0.00 O ATOM 1282 CB CYS A 83 106.199 -9.044 -9.842 1.00 0.00 C ATOM 1283 SG CYS A 83 107.413 -9.644 -8.645 1.00 0.00 S ATOM 0 H CYS A 83 105.596 -7.563 -12.082 1.00 0.00 H new ATOM 0 HA CYS A 83 106.005 -7.001 -9.209 1.00 0.00 H new ATOM 0 HB2 CYS A 83 105.199 -9.282 -9.480 1.00 0.00 H new ATOM 0 HB3 CYS A 83 106.334 -9.581 -10.781 1.00 0.00 H new ATOM 0 HG CYS A 83 108.028 -10.680 -9.133 1.00 0.00 H new ATOM 1289 N VAL A 84 108.519 -6.867 -9.494 1.00 0.00 N ATOM 1290 CA VAL A 84 109.933 -6.599 -9.694 1.00 0.00 C ATOM 1291 C VAL A 84 110.755 -7.490 -8.770 1.00 0.00 C ATOM 1292 O VAL A 84 110.231 -8.029 -7.792 1.00 0.00 O ATOM 1293 CB VAL A 84 110.292 -5.116 -9.428 1.00 0.00 C ATOM 1294 CG1 VAL A 84 109.561 -4.201 -10.398 1.00 0.00 C ATOM 1295 CG2 VAL A 84 109.979 -4.730 -7.989 1.00 0.00 C ATOM 0 H VAL A 84 108.217 -6.805 -8.522 1.00 0.00 H new ATOM 0 HA VAL A 84 110.163 -6.814 -10.738 1.00 0.00 H new ATOM 0 HB VAL A 84 111.364 -4.997 -9.586 1.00 0.00 H new ATOM 0 HG11 VAL A 84 109.828 -3.165 -10.192 1.00 0.00 H new ATOM 0 HG12 VAL A 84 109.845 -4.453 -11.420 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.485 -4.329 -10.278 1.00 0.00 H new ATOM 0 HG21 VAL A 84 110.240 -3.684 -7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 84 108.915 -4.872 -7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.557 -5.357 -7.310 1.00 0.00 H new ATOM 1305 N ASP A 85 112.027 -7.655 -9.090 1.00 0.00 N ATOM 1306 CA ASP A 85 112.928 -8.439 -8.257 1.00 0.00 C ATOM 1307 C ASP A 85 114.034 -7.549 -7.717 1.00 0.00 C ATOM 1308 O ASP A 85 114.677 -6.812 -8.472 1.00 0.00 O ATOM 1309 CB ASP A 85 113.537 -9.611 -9.037 1.00 0.00 C ATOM 1310 CG ASP A 85 112.574 -10.767 -9.238 1.00 0.00 C ATOM 1311 OD1 ASP A 85 111.737 -10.702 -10.167 1.00 0.00 O ATOM 1312 OD2 ASP A 85 112.673 -11.763 -8.490 1.00 0.00 O ATOM 0 H ASP A 85 112.462 -7.256 -9.922 1.00 0.00 H new ATOM 0 HA ASP A 85 112.350 -8.850 -7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 85 113.873 -9.254 -10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 85 114.419 -9.971 -8.508 1.00 0.00 H new ATOM 1317 N ILE A 86 114.242 -7.605 -6.413 1.00 0.00 N ATOM 1318 CA ILE A 86 115.264 -6.797 -5.764 1.00 0.00 C ATOM 1319 C ILE A 86 116.227 -7.689 -4.997 1.00 0.00 C ATOM 1320 O ILE A 86 115.828 -8.726 -4.474 1.00 0.00 O ATOM 1321 CB ILE A 86 114.643 -5.763 -4.793 1.00 0.00 C ATOM 1322 CG1 ILE A 86 113.911 -6.463 -3.642 1.00 0.00 C ATOM 1323 CG2 ILE A 86 113.693 -4.843 -5.544 1.00 0.00 C ATOM 1324 CD1 ILE A 86 113.381 -5.511 -2.590 1.00 0.00 C ATOM 0 H ILE A 86 113.714 -8.205 -5.778 1.00 0.00 H new ATOM 0 HA ILE A 86 115.799 -6.257 -6.545 1.00 0.00 H new ATOM 0 HB ILE A 86 115.449 -5.166 -4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 86 113.081 -7.040 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 86 114.590 -7.172 -3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 86 113.262 -4.120 -4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 86 114.240 -4.315 -6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 86 112.895 -5.433 -5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 86 112.876 -6.078 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 86 114.209 -4.952 -2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 86 112.676 -4.818 -3.049 1.00 0.00 H new ATOM 1336 N LYS A 87 117.492 -7.303 -4.947 1.00 0.00 N ATOM 1337 CA LYS A 87 118.472 -8.057 -4.176 1.00 0.00 C ATOM 1338 C LYS A 87 119.207 -7.150 -3.204 1.00 0.00 C ATOM 1339 O LYS A 87 119.495 -5.991 -3.517 1.00 0.00 O ATOM 1340 CB LYS A 87 119.484 -8.768 -5.086 1.00 0.00 C ATOM 1341 CG LYS A 87 120.384 -7.832 -5.883 1.00 0.00 C ATOM 1342 CD LYS A 87 121.503 -8.599 -6.577 1.00 0.00 C ATOM 1343 CE LYS A 87 122.336 -7.705 -7.488 1.00 0.00 C ATOM 1344 NZ LYS A 87 122.975 -6.584 -6.752 1.00 0.00 N ATOM 0 H LYS A 87 117.863 -6.482 -5.425 1.00 0.00 H new ATOM 0 HA LYS A 87 117.925 -8.815 -3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 87 120.109 -9.419 -4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 87 118.941 -9.409 -5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 87 119.791 -7.298 -6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 87 120.812 -7.082 -5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 87 122.150 -9.053 -5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 87 121.075 -9.413 -7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 87 123.107 -8.303 -7.973 1.00 0.00 H new ATOM 0 HE3 LYS A 87 121.701 -7.303 -8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 122.646 -5.679 -7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 122.719 -6.639 -5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 124.008 -6.648 -6.850 1.00 0.00 H new ATOM 1358 N ALA A 88 119.483 -7.674 -2.021 1.00 0.00 N ATOM 1359 CA ALA A 88 120.286 -6.969 -1.038 1.00 0.00 C ATOM 1360 C ALA A 88 121.727 -6.882 -1.513 1.00 0.00 C ATOM 1361 O ALA A 88 122.381 -7.903 -1.741 1.00 0.00 O ATOM 1362 CB ALA A 88 120.210 -7.670 0.310 1.00 0.00 C ATOM 0 H ALA A 88 119.159 -8.592 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 88 119.894 -5.959 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 88 120.817 -7.129 1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.175 -7.695 0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 88 120.584 -8.689 0.212 1.00 0.00 H new ATOM 1368 N ASP A 89 122.216 -5.666 -1.684 1.00 0.00 N ATOM 1369 CA ASP A 89 123.568 -5.468 -2.176 1.00 0.00 C ATOM 1370 C ASP A 89 124.538 -5.297 -1.021 1.00 0.00 C ATOM 1371 O ASP A 89 125.491 -6.063 -0.875 1.00 0.00 O ATOM 1372 CB ASP A 89 123.635 -4.257 -3.104 1.00 0.00 C ATOM 1373 CG ASP A 89 125.011 -4.091 -3.711 1.00 0.00 C ATOM 1374 OD1 ASP A 89 125.435 -4.983 -4.469 1.00 0.00 O ATOM 1375 OD2 ASP A 89 125.668 -3.063 -3.436 1.00 0.00 O ATOM 0 H ASP A 89 121.701 -4.807 -1.491 1.00 0.00 H new ATOM 0 HA ASP A 89 123.854 -6.354 -2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.898 -4.367 -3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 89 123.372 -3.357 -2.548 1.00 0.00 H new ATOM 1380 N LYS A 90 124.286 -4.296 -0.196 1.00 0.00 N ATOM 1381 CA LYS A 90 125.117 -4.040 0.965 1.00 0.00 C ATOM 1382 C LYS A 90 124.303 -3.346 2.048 1.00 0.00 C ATOM 1383 O LYS A 90 123.407 -2.556 1.747 1.00 0.00 O ATOM 1384 CB LYS A 90 126.336 -3.187 0.591 1.00 0.00 C ATOM 1385 CG LYS A 90 125.987 -1.821 0.016 1.00 0.00 C ATOM 1386 CD LYS A 90 127.231 -0.971 -0.196 1.00 0.00 C ATOM 1387 CE LYS A 90 127.972 -0.738 1.112 1.00 0.00 C ATOM 1388 NZ LYS A 90 129.219 0.045 0.913 1.00 0.00 N ATOM 0 H LYS A 90 123.509 -3.645 -0.310 1.00 0.00 H new ATOM 0 HA LYS A 90 125.475 -4.996 1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 90 126.955 -3.049 1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 90 126.938 -3.732 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 90 125.465 -1.947 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 90 125.303 -1.305 0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 90 127.893 -1.463 -0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 90 126.949 -0.013 -0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 90 127.320 -0.211 1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 90 128.215 -1.698 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 129.693 0.181 1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 129.853 -0.469 0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 128.985 0.972 0.503 1.00 0.00 H new ATOM 1402 N PRO A 91 124.579 -3.652 3.318 1.00 0.00 N ATOM 1403 CA PRO A 91 123.905 -3.012 4.440 1.00 0.00 C ATOM 1404 C PRO A 91 124.556 -1.687 4.822 1.00 0.00 C ATOM 1405 O PRO A 91 125.600 -1.316 4.282 1.00 0.00 O ATOM 1406 CB PRO A 91 124.074 -4.037 5.559 1.00 0.00 C ATOM 1407 CG PRO A 91 125.378 -4.701 5.265 1.00 0.00 C ATOM 1408 CD PRO A 91 125.563 -4.656 3.768 1.00 0.00 C ATOM 0 HA PRO A 91 122.868 -2.761 4.219 1.00 0.00 H new ATOM 0 HB2 PRO A 91 124.085 -3.558 6.538 1.00 0.00 H new ATOM 0 HB3 PRO A 91 123.255 -4.756 5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 91 126.196 -4.188 5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 91 125.377 -5.730 5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.579 -4.367 3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 91 125.377 -5.629 3.313 1.00 0.00 H new ATOM 1416 N LEU A 92 123.929 -0.978 5.745 1.00 0.00 N ATOM 1417 CA LEU A 92 124.491 0.251 6.268 1.00 0.00 C ATOM 1418 C LEU A 92 125.446 -0.070 7.405 1.00 0.00 C ATOM 1419 O LEU A 92 125.317 -1.109 8.052 1.00 0.00 O ATOM 1420 CB LEU A 92 123.386 1.191 6.757 1.00 0.00 C ATOM 1421 CG LEU A 92 122.514 1.797 5.657 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.418 2.656 6.262 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.363 2.619 4.695 1.00 0.00 C ATOM 0 H LEU A 92 123.028 -1.235 6.147 1.00 0.00 H new ATOM 0 HA LEU A 92 125.035 0.755 5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.744 0.643 7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 92 123.845 2.002 7.323 1.00 0.00 H new ATOM 0 HG LEU A 92 122.049 0.984 5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 92 120.806 3.080 5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 92 120.793 2.044 6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 92 121.866 3.462 6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 92 122.726 3.043 3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 92 123.855 3.424 5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 92 124.117 1.979 4.237 1.00 0.00 H new ATOM 1435 N LYS A 93 126.407 0.811 7.638 1.00 0.00 N ATOM 1436 CA LYS A 93 127.366 0.620 8.717 1.00 0.00 C ATOM 1437 C LYS A 93 126.653 0.723 10.062 1.00 0.00 C ATOM 1438 O LYS A 93 126.995 0.032 11.022 1.00 0.00 O ATOM 1439 CB LYS A 93 128.478 1.666 8.626 1.00 0.00 C ATOM 1440 CG LYS A 93 129.633 1.421 9.583 1.00 0.00 C ATOM 1441 CD LYS A 93 130.619 2.575 9.564 1.00 0.00 C ATOM 1442 CE LYS A 93 131.840 2.289 10.422 1.00 0.00 C ATOM 1443 NZ LYS A 93 132.690 3.497 10.585 1.00 0.00 N ATOM 0 H LYS A 93 126.544 1.664 7.096 1.00 0.00 H new ATOM 0 HA LYS A 93 127.813 -0.370 8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 93 128.862 1.686 7.606 1.00 0.00 H new ATOM 0 HB3 LYS A 93 128.055 2.650 8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 93 129.248 1.285 10.594 1.00 0.00 H new ATOM 0 HG3 LYS A 93 130.145 0.498 9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 93 130.933 2.768 8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 93 130.127 3.479 9.922 1.00 0.00 H new ATOM 0 HE2 LYS A 93 131.521 1.933 11.402 1.00 0.00 H new ATOM 0 HE3 LYS A 93 132.426 1.490 9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 133.514 3.265 11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 133.014 3.822 9.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 132.138 4.251 11.042 1.00 0.00 H new ATOM 1457 N THR A 94 125.676 1.613 10.122 1.00 0.00 N ATOM 1458 CA THR A 94 124.834 1.761 11.292 1.00 0.00 C ATOM 1459 C THR A 94 123.378 1.961 10.865 1.00 0.00 C ATOM 1460 O THR A 94 123.073 2.878 10.102 1.00 0.00 O ATOM 1461 CB THR A 94 125.305 2.947 12.156 1.00 0.00 C ATOM 1462 OG1 THR A 94 126.698 2.785 12.463 1.00 0.00 O ATOM 1463 CG2 THR A 94 124.506 3.037 13.449 1.00 0.00 C ATOM 0 H THR A 94 125.446 2.251 9.360 1.00 0.00 H new ATOM 0 HA THR A 94 124.908 0.853 11.890 1.00 0.00 H new ATOM 0 HB THR A 94 125.148 3.868 11.594 1.00 0.00 H new ATOM 0 HG1 THR A 94 127.002 3.538 13.011 1.00 0.00 H new ATOM 0 HG21 THR A 94 124.861 3.883 14.038 1.00 0.00 H new ATOM 0 HG22 THR A 94 123.450 3.175 13.215 1.00 0.00 H new ATOM 0 HG23 THR A 94 124.634 2.118 14.021 1.00 0.00 H new ATOM 1471 N PRO A 95 122.472 1.083 11.325 1.00 0.00 N ATOM 1472 CA PRO A 95 121.041 1.163 10.994 1.00 0.00 C ATOM 1473 C PRO A 95 120.425 2.498 11.400 1.00 0.00 C ATOM 1474 O PRO A 95 120.483 2.894 12.566 1.00 0.00 O ATOM 1475 CB PRO A 95 120.420 0.018 11.802 1.00 0.00 C ATOM 1476 CG PRO A 95 121.545 -0.924 12.052 1.00 0.00 C ATOM 1477 CD PRO A 95 122.769 -0.066 12.195 1.00 0.00 C ATOM 0 HA PRO A 95 120.868 1.085 9.921 1.00 0.00 H new ATOM 0 HB2 PRO A 95 119.992 0.380 12.737 1.00 0.00 H new ATOM 0 HB3 PRO A 95 119.615 -0.465 11.249 1.00 0.00 H new ATOM 0 HG2 PRO A 95 121.371 -1.511 12.954 1.00 0.00 H new ATOM 0 HG3 PRO A 95 121.655 -1.629 11.228 1.00 0.00 H new ATOM 0 HD2 PRO A 95 122.928 0.241 13.229 1.00 0.00 H new ATOM 0 HD3 PRO A 95 123.669 -0.591 11.876 1.00 0.00 H new ATOM 1485 N VAL A 96 119.837 3.187 10.434 1.00 0.00 N ATOM 1486 CA VAL A 96 119.250 4.494 10.680 1.00 0.00 C ATOM 1487 C VAL A 96 117.776 4.355 11.032 1.00 0.00 C ATOM 1488 O VAL A 96 116.944 4.085 10.165 1.00 0.00 O ATOM 1489 CB VAL A 96 119.401 5.425 9.456 1.00 0.00 C ATOM 1490 CG1 VAL A 96 118.855 6.813 9.759 1.00 0.00 C ATOM 1491 CG2 VAL A 96 120.856 5.506 9.021 1.00 0.00 C ATOM 0 H VAL A 96 119.754 2.862 9.471 1.00 0.00 H new ATOM 0 HA VAL A 96 119.786 4.939 11.518 1.00 0.00 H new ATOM 0 HB VAL A 96 118.819 5.003 8.636 1.00 0.00 H new ATOM 0 HG11 VAL A 96 118.973 7.450 8.882 1.00 0.00 H new ATOM 0 HG12 VAL A 96 117.798 6.740 10.015 1.00 0.00 H new ATOM 0 HG13 VAL A 96 119.403 7.245 10.597 1.00 0.00 H new ATOM 0 HG21 VAL A 96 120.942 6.166 8.158 1.00 0.00 H new ATOM 0 HG22 VAL A 96 121.459 5.899 9.840 1.00 0.00 H new ATOM 0 HG23 VAL A 96 121.212 4.511 8.753 1.00 0.00 H new ATOM 1501 N THR A 97 117.466 4.516 12.309 1.00 0.00 N ATOM 1502 CA THR A 97 116.096 4.417 12.784 1.00 0.00 C ATOM 1503 C THR A 97 115.298 5.652 12.388 1.00 0.00 C ATOM 1504 O THR A 97 115.872 6.676 12.011 1.00 0.00 O ATOM 1505 CB THR A 97 116.056 4.263 14.316 1.00 0.00 C ATOM 1506 OG1 THR A 97 116.766 5.348 14.929 1.00 0.00 O ATOM 1507 CG2 THR A 97 116.667 2.938 14.747 1.00 0.00 C ATOM 0 H THR A 97 118.150 4.717 13.039 1.00 0.00 H new ATOM 0 HA THR A 97 115.652 3.535 12.322 1.00 0.00 H new ATOM 0 HB THR A 97 115.014 4.279 14.637 1.00 0.00 H new ATOM 0 HG1 THR A 97 116.738 5.248 15.904 1.00 0.00 H new ATOM 0 HG21 THR A 97 116.626 2.855 15.833 1.00 0.00 H new ATOM 0 HG22 THR A 97 116.108 2.117 14.299 1.00 0.00 H new ATOM 0 HG23 THR A 97 117.705 2.892 14.418 1.00 0.00 H new ATOM 1515 N LEU A 98 113.978 5.548 12.468 1.00 0.00 N ATOM 1516 CA LEU A 98 113.099 6.677 12.197 1.00 0.00 C ATOM 1517 C LEU A 98 113.421 7.833 13.139 1.00 0.00 C ATOM 1518 O LEU A 98 113.339 8.997 12.757 1.00 0.00 O ATOM 1519 CB LEU A 98 111.633 6.258 12.345 1.00 0.00 C ATOM 1520 CG LEU A 98 110.604 7.315 11.936 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.752 7.668 10.462 1.00 0.00 C ATOM 1522 CD2 LEU A 98 109.196 6.826 12.230 1.00 0.00 C ATOM 0 H LEU A 98 113.491 4.688 12.720 1.00 0.00 H new ATOM 0 HA LEU A 98 113.261 7.009 11.171 1.00 0.00 H new ATOM 0 HB2 LEU A 98 111.466 5.362 11.746 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.454 5.984 13.385 1.00 0.00 H new ATOM 0 HG LEU A 98 110.786 8.216 12.522 1.00 0.00 H new ATOM 0 HD11 LEU A 98 110.011 8.421 10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.752 8.062 10.281 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.599 6.775 9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.476 7.589 11.933 1.00 0.00 H new ATOM 0 HD22 LEU A 98 109.005 5.910 11.671 1.00 0.00 H new ATOM 0 HD23 LEU A 98 109.095 6.627 13.297 1.00 0.00 H new ATOM 1534 N ALA A 99 113.820 7.497 14.361 1.00 0.00 N ATOM 1535 CA ALA A 99 114.218 8.499 15.340 1.00 0.00 C ATOM 1536 C ALA A 99 115.448 9.262 14.857 1.00 0.00 C ATOM 1537 O ALA A 99 115.564 10.469 15.060 1.00 0.00 O ATOM 1538 CB ALA A 99 114.494 7.845 16.686 1.00 0.00 C ATOM 0 H ALA A 99 113.876 6.535 14.697 1.00 0.00 H new ATOM 0 HA ALA A 99 113.399 9.208 15.460 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.790 8.607 17.407 1.00 0.00 H new ATOM 0 HB2 ALA A 99 113.593 7.343 17.038 1.00 0.00 H new ATOM 0 HB3 ALA A 99 115.297 7.116 16.578 1.00 0.00 H new ATOM 1544 N ALA A 100 116.359 8.546 14.203 1.00 0.00 N ATOM 1545 CA ALA A 100 117.557 9.158 13.642 1.00 0.00 C ATOM 1546 C ALA A 100 117.215 9.960 12.390 1.00 0.00 C ATOM 1547 O ALA A 100 117.832 10.984 12.111 1.00 0.00 O ATOM 1548 CB ALA A 100 118.605 8.098 13.334 1.00 0.00 C ATOM 0 H ALA A 100 116.289 7.540 14.049 1.00 0.00 H new ATOM 0 HA ALA A 100 117.972 9.843 14.382 1.00 0.00 H new ATOM 0 HB1 ALA A 100 119.492 8.574 12.916 1.00 0.00 H new ATOM 0 HB2 ALA A 100 118.873 7.574 14.251 1.00 0.00 H new ATOM 0 HB3 ALA A 100 118.202 7.386 12.614 1.00 0.00 H new ATOM 1554 N VAL A 101 116.229 9.484 11.639 1.00 0.00 N ATOM 1555 CA VAL A 101 115.740 10.198 10.466 1.00 0.00 C ATOM 1556 C VAL A 101 115.113 11.525 10.881 1.00 0.00 C ATOM 1557 O VAL A 101 115.398 12.574 10.301 1.00 0.00 O ATOM 1558 CB VAL A 101 114.700 9.361 9.685 1.00 0.00 C ATOM 1559 CG1 VAL A 101 114.115 10.155 8.527 1.00 0.00 C ATOM 1560 CG2 VAL A 101 115.319 8.066 9.180 1.00 0.00 C ATOM 0 H VAL A 101 115.750 8.602 11.823 1.00 0.00 H new ATOM 0 HA VAL A 101 116.594 10.382 9.813 1.00 0.00 H new ATOM 0 HB VAL A 101 113.890 9.114 10.371 1.00 0.00 H new ATOM 0 HG11 VAL A 101 113.387 9.541 7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 101 113.625 11.050 8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 101 114.914 10.444 7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 101 114.570 7.493 8.634 1.00 0.00 H new ATOM 0 HG22 VAL A 101 116.154 8.296 8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 101 115.678 7.480 10.026 1.00 0.00 H new ATOM 1570 N LYS A 102 114.283 11.471 11.916 1.00 0.00 N ATOM 1571 CA LYS A 102 113.602 12.654 12.425 1.00 0.00 C ATOM 1572 C LYS A 102 114.579 13.582 13.147 1.00 0.00 C ATOM 1573 O LYS A 102 114.219 14.699 13.530 1.00 0.00 O ATOM 1574 CB LYS A 102 112.465 12.241 13.365 1.00 0.00 C ATOM 1575 CG LYS A 102 111.406 11.372 12.697 1.00 0.00 C ATOM 1576 CD LYS A 102 110.355 10.885 13.688 1.00 0.00 C ATOM 1577 CE LYS A 102 109.272 11.924 13.959 1.00 0.00 C ATOM 1578 NZ LYS A 102 109.789 13.123 14.669 1.00 0.00 N ATOM 0 H LYS A 102 114.065 10.613 12.422 1.00 0.00 H new ATOM 0 HA LYS A 102 113.183 13.199 11.579 1.00 0.00 H new ATOM 0 HB2 LYS A 102 112.885 11.700 14.213 1.00 0.00 H new ATOM 0 HB3 LYS A 102 111.989 13.138 13.762 1.00 0.00 H new ATOM 0 HG2 LYS A 102 110.920 11.939 11.903 1.00 0.00 H new ATOM 0 HG3 LYS A 102 111.886 10.514 12.227 1.00 0.00 H new ATOM 0 HD2 LYS A 102 109.892 9.976 13.303 1.00 0.00 H new ATOM 0 HD3 LYS A 102 110.842 10.621 14.627 1.00 0.00 H new ATOM 0 HE2 LYS A 102 108.825 12.232 13.014 1.00 0.00 H new ATOM 0 HE3 LYS A 102 108.479 11.469 14.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 109.040 13.519 15.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 110.602 12.853 15.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 110.088 13.836 13.974 1.00 0.00 H new ATOM 1592 N ALA A 103 115.812 13.113 13.326 1.00 0.00 N ATOM 1593 CA ALA A 103 116.867 13.917 13.933 1.00 0.00 C ATOM 1594 C ALA A 103 117.406 14.933 12.936 1.00 0.00 C ATOM 1595 O ALA A 103 118.078 15.897 13.308 1.00 0.00 O ATOM 1596 CB ALA A 103 117.997 13.030 14.434 1.00 0.00 C ATOM 0 H ALA A 103 116.105 12.174 13.057 1.00 0.00 H new ATOM 0 HA ALA A 103 116.440 14.451 14.782 1.00 0.00 H new ATOM 0 HB1 ALA A 103 118.774 13.649 14.883 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.611 12.335 15.179 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.417 12.470 13.599 1.00 0.00 H new ATOM 1602 N GLU A 104 117.114 14.705 11.668 1.00 0.00 N ATOM 1603 CA GLU A 104 117.540 15.601 10.616 1.00 0.00 C ATOM 1604 C GLU A 104 116.333 16.333 10.039 1.00 0.00 C ATOM 1605 O GLU A 104 115.504 15.736 9.355 1.00 0.00 O ATOM 1606 CB GLU A 104 118.275 14.819 9.523 1.00 0.00 C ATOM 1607 CG GLU A 104 118.819 15.689 8.402 1.00 0.00 C ATOM 1608 CD GLU A 104 119.676 16.828 8.914 1.00 0.00 C ATOM 1609 OE1 GLU A 104 120.801 16.568 9.393 1.00 0.00 O ATOM 1610 OE2 GLU A 104 119.221 17.987 8.851 1.00 0.00 O ATOM 0 H GLU A 104 116.579 13.899 11.343 1.00 0.00 H new ATOM 0 HA GLU A 104 118.228 16.339 11.029 1.00 0.00 H new ATOM 0 HB2 GLU A 104 119.100 14.269 9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 104 117.595 14.080 9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 104 119.408 15.073 7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 104 117.988 16.095 7.826 1.00 0.00 H new ATOM 1617 N PRO A 105 116.215 17.637 10.336 1.00 0.00 N ATOM 1618 CA PRO A 105 115.100 18.470 9.867 1.00 0.00 C ATOM 1619 C PRO A 105 114.952 18.457 8.348 1.00 0.00 C ATOM 1620 O PRO A 105 113.860 18.680 7.825 1.00 0.00 O ATOM 1621 CB PRO A 105 115.469 19.875 10.356 1.00 0.00 C ATOM 1622 CG PRO A 105 116.387 19.647 11.504 1.00 0.00 C ATOM 1623 CD PRO A 105 117.159 18.403 11.168 1.00 0.00 C ATOM 0 HA PRO A 105 114.144 18.109 10.245 1.00 0.00 H new ATOM 0 HB2 PRO A 105 115.954 20.453 9.570 1.00 0.00 H new ATOM 0 HB3 PRO A 105 114.584 20.433 10.662 1.00 0.00 H new ATOM 0 HG2 PRO A 105 117.056 20.496 11.645 1.00 0.00 H new ATOM 0 HG3 PRO A 105 115.829 19.523 12.432 1.00 0.00 H new ATOM 0 HD2 PRO A 105 118.078 18.632 10.628 1.00 0.00 H new ATOM 0 HD3 PRO A 105 117.445 17.852 12.064 1.00 0.00 H new ATOM 1631 N ARG A 106 116.047 18.189 7.643 1.00 0.00 N ATOM 1632 CA ARG A 106 116.016 18.118 6.186 1.00 0.00 C ATOM 1633 C ARG A 106 115.158 16.946 5.715 1.00 0.00 C ATOM 1634 O ARG A 106 114.510 17.017 4.673 1.00 0.00 O ATOM 1635 CB ARG A 106 117.428 17.979 5.619 1.00 0.00 C ATOM 1636 CG ARG A 106 118.351 19.139 5.952 1.00 0.00 C ATOM 1637 CD ARG A 106 119.658 19.043 5.178 1.00 0.00 C ATOM 1638 NE ARG A 106 119.452 19.244 3.743 1.00 0.00 N ATOM 1639 CZ ARG A 106 119.349 18.256 2.854 1.00 0.00 C ATOM 1640 NH1 ARG A 106 119.485 16.997 3.226 1.00 0.00 N ATOM 1641 NH2 ARG A 106 119.102 18.528 1.583 1.00 0.00 N ATOM 0 H ARG A 106 116.964 18.018 8.055 1.00 0.00 H new ATOM 0 HA ARG A 106 115.577 19.046 5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 106 117.870 17.057 5.998 1.00 0.00 H new ATOM 0 HB3 ARG A 106 117.364 17.880 4.535 1.00 0.00 H new ATOM 0 HG2 ARG A 106 117.855 20.081 5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 106 118.559 19.146 7.022 1.00 0.00 H new ATOM 0 HD2 ARG A 106 120.359 19.789 5.553 1.00 0.00 H new ATOM 0 HD3 ARG A 106 120.111 18.066 5.348 1.00 0.00 H new ATOM 0 HE ARG A 106 119.383 20.202 3.401 1.00 0.00 H new ATOM 0 HH11 ARG A 106 119.671 16.771 4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 106 119.404 16.250 2.536 1.00 0.00 H new ATOM 0 HH21 ARG A 106 118.990 19.496 1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 106 119.024 17.770 0.905 1.00 0.00 H new ATOM 1655 N LEU A 107 115.136 15.880 6.506 1.00 0.00 N ATOM 1656 CA LEU A 107 114.414 14.667 6.143 1.00 0.00 C ATOM 1657 C LEU A 107 112.966 14.729 6.608 1.00 0.00 C ATOM 1658 O LEU A 107 112.194 13.796 6.382 1.00 0.00 O ATOM 1659 CB LEU A 107 115.098 13.441 6.745 1.00 0.00 C ATOM 1660 CG LEU A 107 116.509 13.167 6.229 1.00 0.00 C ATOM 1661 CD1 LEU A 107 117.104 11.956 6.927 1.00 0.00 C ATOM 1662 CD2 LEU A 107 116.495 12.957 4.722 1.00 0.00 C ATOM 0 H LEU A 107 115.612 15.831 7.407 1.00 0.00 H new ATOM 0 HA LEU A 107 114.423 14.586 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 107 115.141 13.563 7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 107 114.479 12.566 6.547 1.00 0.00 H new ATOM 0 HG LEU A 107 117.131 14.035 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 107 118.110 11.775 6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 107 117.149 12.140 8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 107 116.481 11.083 6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 107 117.509 12.763 4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 107 115.858 12.106 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 107 116.108 13.851 4.234 1.00 0.00 H new ATOM 1674 N ALA A 108 112.598 15.835 7.245 1.00 0.00 N ATOM 1675 CA ALA A 108 111.246 16.005 7.757 1.00 0.00 C ATOM 1676 C ALA A 108 110.234 16.056 6.619 1.00 0.00 C ATOM 1677 O ALA A 108 109.077 15.667 6.783 1.00 0.00 O ATOM 1678 CB ALA A 108 111.151 17.260 8.614 1.00 0.00 C ATOM 0 H ALA A 108 113.218 16.626 7.418 1.00 0.00 H new ATOM 0 HA ALA A 108 111.011 15.143 8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 108 110.133 17.369 8.987 1.00 0.00 H new ATOM 0 HB2 ALA A 108 111.839 17.179 9.455 1.00 0.00 H new ATOM 0 HB3 ALA A 108 111.413 18.131 8.014 1.00 0.00 H new ATOM 1684 N ASP A 109 110.674 16.527 5.458 1.00 0.00 N ATOM 1685 CA ASP A 109 109.798 16.612 4.297 1.00 0.00 C ATOM 1686 C ASP A 109 110.089 15.468 3.330 1.00 0.00 C ATOM 1687 O ASP A 109 109.716 15.513 2.160 1.00 0.00 O ATOM 1688 CB ASP A 109 109.963 17.959 3.588 1.00 0.00 C ATOM 1689 CG ASP A 109 108.646 18.501 3.058 1.00 0.00 C ATOM 1690 OD1 ASP A 109 108.038 17.873 2.167 1.00 0.00 O ATOM 1691 OD2 ASP A 109 108.205 19.565 3.540 1.00 0.00 O ATOM 0 H ASP A 109 111.627 16.854 5.296 1.00 0.00 H new ATOM 0 HA ASP A 109 108.767 16.530 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 109 110.397 18.680 4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 109 110.666 17.848 2.762 1.00 0.00 H new ATOM 1696 N MET A 110 110.755 14.435 3.826 1.00 0.00 N ATOM 1697 CA MET A 110 110.993 13.245 3.028 1.00 0.00 C ATOM 1698 C MET A 110 109.768 12.343 3.106 1.00 0.00 C ATOM 1699 O MET A 110 109.078 12.315 4.128 1.00 0.00 O ATOM 1700 CB MET A 110 112.251 12.506 3.502 1.00 0.00 C ATOM 1701 CG MET A 110 112.618 11.305 2.641 1.00 0.00 C ATOM 1702 SD MET A 110 114.182 10.544 3.123 1.00 0.00 S ATOM 1703 CE MET A 110 113.826 10.035 4.801 1.00 0.00 C ATOM 0 H MET A 110 111.137 14.398 4.771 1.00 0.00 H new ATOM 0 HA MET A 110 111.162 13.535 1.991 1.00 0.00 H new ATOM 0 HB2 MET A 110 113.089 13.203 3.513 1.00 0.00 H new ATOM 0 HB3 MET A 110 112.100 12.173 4.529 1.00 0.00 H new ATOM 0 HG2 MET A 110 111.823 10.562 2.706 1.00 0.00 H new ATOM 0 HG3 MET A 110 112.678 11.617 1.598 1.00 0.00 H new ATOM 0 HE1 MET A 110 114.541 10.498 5.481 1.00 0.00 H new ATOM 0 HE2 MET A 110 112.816 10.346 5.069 1.00 0.00 H new ATOM 0 HE3 MET A 110 113.904 8.950 4.877 1.00 0.00 H new ATOM 1713 N ALA A 111 109.500 11.604 2.033 1.00 0.00 N ATOM 1714 CA ALA A 111 108.279 10.807 1.922 1.00 0.00 C ATOM 1715 C ALA A 111 108.163 9.757 3.027 1.00 0.00 C ATOM 1716 O ALA A 111 107.086 9.207 3.254 1.00 0.00 O ATOM 1717 CB ALA A 111 108.209 10.147 0.552 1.00 0.00 C ATOM 0 H ALA A 111 110.116 11.540 1.222 1.00 0.00 H new ATOM 0 HA ALA A 111 107.436 11.487 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 111 107.296 9.556 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 111 108.207 10.915 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 111 109.074 9.497 0.416 1.00 0.00 H new ATOM 1723 N LEU A 112 109.265 9.484 3.714 1.00 0.00 N ATOM 1724 CA LEU A 112 109.268 8.520 4.805 1.00 0.00 C ATOM 1725 C LEU A 112 108.480 9.047 6.000 1.00 0.00 C ATOM 1726 O LEU A 112 107.845 8.280 6.723 1.00 0.00 O ATOM 1727 CB LEU A 112 110.703 8.195 5.224 1.00 0.00 C ATOM 1728 CG LEU A 112 110.844 7.067 6.250 1.00 0.00 C ATOM 1729 CD1 LEU A 112 110.297 5.764 5.689 1.00 0.00 C ATOM 1730 CD2 LEU A 112 112.297 6.900 6.666 1.00 0.00 C ATOM 0 H LEU A 112 110.170 9.918 3.534 1.00 0.00 H new ATOM 0 HA LEU A 112 108.787 7.608 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 112 111.273 7.928 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 112 111.157 9.097 5.635 1.00 0.00 H new ATOM 0 HG LEU A 112 110.263 7.333 7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 112 110.406 4.974 6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 112 109.242 5.888 5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 112 110.850 5.495 4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 112 112.376 6.094 7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 112 112.901 6.658 5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 112 112.657 7.828 7.110 1.00 0.00 H new ATOM 1742 N MET A 113 108.516 10.359 6.194 1.00 0.00 N ATOM 1743 CA MET A 113 107.800 10.987 7.299 1.00 0.00 C ATOM 1744 C MET A 113 106.457 11.538 6.829 1.00 0.00 C ATOM 1745 O MET A 113 105.572 11.818 7.636 1.00 0.00 O ATOM 1746 CB MET A 113 108.639 12.109 7.917 1.00 0.00 C ATOM 1747 CG MET A 113 109.855 11.611 8.682 1.00 0.00 C ATOM 1748 SD MET A 113 110.809 12.947 9.431 1.00 0.00 S ATOM 1749 CE MET A 113 109.555 13.743 10.433 1.00 0.00 C ATOM 0 H MET A 113 109.033 11.009 5.602 1.00 0.00 H new ATOM 0 HA MET A 113 107.618 10.226 8.058 1.00 0.00 H new ATOM 0 HB2 MET A 113 108.969 12.782 7.126 1.00 0.00 H new ATOM 0 HB3 MET A 113 108.011 12.692 8.590 1.00 0.00 H new ATOM 0 HG2 MET A 113 109.530 10.922 9.462 1.00 0.00 H new ATOM 0 HG3 MET A 113 110.498 11.047 8.006 1.00 0.00 H new ATOM 0 HE1 MET A 113 110.029 14.252 11.272 1.00 0.00 H new ATOM 0 HE2 MET A 113 109.012 14.469 9.828 1.00 0.00 H new ATOM 0 HE3 MET A 113 108.860 12.993 10.810 1.00 0.00 H new ATOM 1759 N LYS A 114 106.313 11.690 5.518 1.00 0.00 N ATOM 1760 CA LYS A 114 105.095 12.251 4.942 1.00 0.00 C ATOM 1761 C LYS A 114 104.073 11.161 4.642 1.00 0.00 C ATOM 1762 O LYS A 114 102.897 11.282 4.988 1.00 0.00 O ATOM 1763 CB LYS A 114 105.411 12.998 3.648 1.00 0.00 C ATOM 1764 CG LYS A 114 106.439 14.107 3.797 1.00 0.00 C ATOM 1765 CD LYS A 114 106.778 14.721 2.447 1.00 0.00 C ATOM 1766 CE LYS A 114 105.644 15.579 1.908 1.00 0.00 C ATOM 1767 NZ LYS A 114 105.522 16.861 2.649 1.00 0.00 N ATOM 0 H LYS A 114 107.024 11.433 4.833 1.00 0.00 H new ATOM 0 HA LYS A 114 104.676 12.940 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 114 105.771 12.283 2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 114 104.488 13.425 3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 114 106.054 14.878 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 114 107.344 13.710 4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 114 107.678 15.328 2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 114 107.002 13.927 1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 114 105.815 15.785 0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 114 104.706 15.028 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 104.783 17.447 2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 105.267 16.667 3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 106.430 17.368 2.618 1.00 0.00 H new ATOM 1781 N TYR A 115 104.526 10.103 3.985 1.00 0.00 N ATOM 1782 CA TYR A 115 103.633 9.048 3.532 1.00 0.00 C ATOM 1783 C TYR A 115 103.889 7.754 4.292 1.00 0.00 C ATOM 1784 O TYR A 115 104.910 7.087 4.090 1.00 0.00 O ATOM 1785 CB TYR A 115 103.801 8.810 2.029 1.00 0.00 C ATOM 1786 CG TYR A 115 103.496 10.021 1.172 1.00 0.00 C ATOM 1787 CD1 TYR A 115 102.196 10.302 0.768 1.00 0.00 C ATOM 1788 CD2 TYR A 115 104.509 10.880 0.763 1.00 0.00 C ATOM 1789 CE1 TYR A 115 101.915 11.403 -0.018 1.00 0.00 C ATOM 1790 CE2 TYR A 115 104.236 11.983 -0.024 1.00 0.00 C ATOM 1791 CZ TYR A 115 102.938 12.240 -0.410 1.00 0.00 C ATOM 1792 OH TYR A 115 102.664 13.334 -1.197 1.00 0.00 O ATOM 0 H TYR A 115 105.508 9.953 3.754 1.00 0.00 H new ATOM 0 HA TYR A 115 102.610 9.369 3.728 1.00 0.00 H new ATOM 0 HB2 TYR A 115 104.825 8.490 1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 115 103.148 7.991 1.727 1.00 0.00 H new ATOM 0 HD1 TYR A 115 101.392 9.649 1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 115 105.527 10.682 1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 115 100.899 11.607 -0.324 1.00 0.00 H new ATOM 0 HE2 TYR A 115 105.035 12.640 -0.335 1.00 0.00 H new ATOM 0 HH TYR A 115 103.495 13.820 -1.383 1.00 0.00 H new ATOM 1802 N SER A 116 102.959 7.397 5.157 1.00 0.00 N ATOM 1803 CA SER A 116 103.071 6.184 5.941 1.00 0.00 C ATOM 1804 C SER A 116 102.554 4.981 5.155 1.00 0.00 C ATOM 1805 O SER A 116 103.140 3.900 5.210 1.00 0.00 O ATOM 1806 CB SER A 116 102.297 6.338 7.250 1.00 0.00 C ATOM 1807 OG SER A 116 102.748 7.475 7.967 1.00 0.00 O ATOM 0 H SER A 116 102.111 7.936 5.335 1.00 0.00 H new ATOM 0 HA SER A 116 104.123 6.012 6.169 1.00 0.00 H new ATOM 0 HB2 SER A 116 101.232 6.433 7.040 1.00 0.00 H new ATOM 0 HB3 SER A 116 102.423 5.444 7.860 1.00 0.00 H new ATOM 0 HG SER A 116 102.240 7.558 8.801 1.00 0.00 H new ATOM 1813 N ARG A 117 101.487 5.185 4.388 1.00 0.00 N ATOM 1814 CA ARG A 117 100.849 4.089 3.662 1.00 0.00 C ATOM 1815 C ARG A 117 101.559 3.817 2.336 1.00 0.00 C ATOM 1816 O ARG A 117 101.330 2.790 1.701 1.00 0.00 O ATOM 1817 CB ARG A 117 99.368 4.385 3.407 1.00 0.00 C ATOM 1818 CG ARG A 117 98.589 4.769 4.658 1.00 0.00 C ATOM 1819 CD ARG A 117 97.087 4.686 4.432 1.00 0.00 C ATOM 1820 NE ARG A 117 96.638 3.300 4.295 1.00 0.00 N ATOM 1821 CZ ARG A 117 95.464 2.934 3.782 1.00 0.00 C ATOM 1822 NH1 ARG A 117 94.610 3.841 3.322 1.00 0.00 N ATOM 1823 NH2 ARG A 117 95.146 1.648 3.734 1.00 0.00 N ATOM 0 H ARG A 117 101.047 6.095 4.253 1.00 0.00 H new ATOM 0 HA ARG A 117 100.926 3.199 4.287 1.00 0.00 H new ATOM 0 HB2 ARG A 117 99.290 5.193 2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 117 98.904 3.507 2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 117 98.871 4.110 5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 117 98.857 5.782 4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 117 96.567 5.157 5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 117 96.822 5.245 3.535 1.00 0.00 H new ATOM 0 HE ARG A 117 97.267 2.563 4.614 1.00 0.00 H new ATOM 0 HH11 ARG A 117 94.849 4.832 3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 117 93.715 3.547 2.932 1.00 0.00 H new ATOM 0 HH21 ARG A 117 95.798 0.948 4.088 1.00 0.00 H new ATOM 0 HH22 ARG A 117 94.249 1.359 3.343 1.00 0.00 H new ATOM 1837 N LEU A 118 102.415 4.741 1.920 1.00 0.00 N ATOM 1838 CA LEU A 118 103.187 4.561 0.696 1.00 0.00 C ATOM 1839 C LEU A 118 104.323 3.575 0.940 1.00 0.00 C ATOM 1840 O LEU A 118 105.286 3.884 1.643 1.00 0.00 O ATOM 1841 CB LEU A 118 103.739 5.902 0.208 1.00 0.00 C ATOM 1842 CG LEU A 118 104.455 5.868 -1.145 1.00 0.00 C ATOM 1843 CD1 LEU A 118 103.501 5.434 -2.247 1.00 0.00 C ATOM 1844 CD2 LEU A 118 105.052 7.229 -1.463 1.00 0.00 C ATOM 0 H LEU A 118 102.592 5.619 2.409 1.00 0.00 H new ATOM 0 HA LEU A 118 102.532 4.160 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 118 102.915 6.613 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.433 6.283 0.957 1.00 0.00 H new ATOM 0 HG LEU A 118 105.264 5.140 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 118 104.030 5.417 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 118 103.119 4.437 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.670 6.137 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 118 105.557 7.188 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 118 104.258 7.975 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 118 105.769 7.501 -0.689 1.00 0.00 H new ATOM 1856 N SER A 119 104.187 2.382 0.379 1.00 0.00 N ATOM 1857 CA SER A 119 105.157 1.312 0.580 1.00 0.00 C ATOM 1858 C SER A 119 106.454 1.575 -0.188 1.00 0.00 C ATOM 1859 O SER A 119 107.543 1.266 0.293 1.00 0.00 O ATOM 1860 CB SER A 119 104.545 -0.013 0.127 1.00 0.00 C ATOM 1861 OG SER A 119 103.207 -0.130 0.581 1.00 0.00 O ATOM 0 H SER A 119 103.406 2.128 -0.226 1.00 0.00 H new ATOM 0 HA SER A 119 105.404 1.268 1.641 1.00 0.00 H new ATOM 0 HB2 SER A 119 104.572 -0.078 -0.961 1.00 0.00 H new ATOM 0 HB3 SER A 119 105.138 -0.843 0.511 1.00 0.00 H new ATOM 0 HG SER A 119 102.833 -0.984 0.279 1.00 0.00 H new ATOM 1867 N VAL A 120 106.326 2.145 -1.378 1.00 0.00 N ATOM 1868 CA VAL A 120 107.478 2.408 -2.229 1.00 0.00 C ATOM 1869 C VAL A 120 107.540 3.885 -2.598 1.00 0.00 C ATOM 1870 O VAL A 120 106.605 4.425 -3.191 1.00 0.00 O ATOM 1871 CB VAL A 120 107.434 1.563 -3.521 1.00 0.00 C ATOM 1872 CG1 VAL A 120 108.612 1.898 -4.418 1.00 0.00 C ATOM 1873 CG2 VAL A 120 107.411 0.077 -3.195 1.00 0.00 C ATOM 0 H VAL A 120 105.433 2.435 -1.777 1.00 0.00 H new ATOM 0 HA VAL A 120 108.368 2.132 -1.664 1.00 0.00 H new ATOM 0 HB VAL A 120 106.516 1.806 -4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 120 108.564 1.293 -5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 120 108.577 2.954 -4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 120 109.542 1.688 -3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 120 107.380 -0.498 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 120 108.308 -0.186 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 120 106.529 -0.151 -2.597 1.00 0.00 H new ATOM 1883 N GLN A 121 108.645 4.525 -2.252 1.00 0.00 N ATOM 1884 CA GLN A 121 108.805 5.956 -2.470 1.00 0.00 C ATOM 1885 C GLN A 121 110.136 6.261 -3.154 1.00 0.00 C ATOM 1886 O GLN A 121 111.079 5.477 -3.061 1.00 0.00 O ATOM 1887 CB GLN A 121 108.716 6.691 -1.132 1.00 0.00 C ATOM 1888 CG GLN A 121 109.640 6.122 -0.075 1.00 0.00 C ATOM 1889 CD GLN A 121 109.482 6.803 1.264 1.00 0.00 C ATOM 1890 OE1 GLN A 121 110.186 7.760 1.574 1.00 0.00 O ATOM 1891 NE2 GLN A 121 108.537 6.325 2.058 1.00 0.00 N ATOM 0 H GLN A 121 109.450 4.074 -1.816 1.00 0.00 H new ATOM 0 HA GLN A 121 108.005 6.300 -3.126 1.00 0.00 H new ATOM 0 HB2 GLN A 121 108.956 7.743 -1.286 1.00 0.00 H new ATOM 0 HB3 GLN A 121 107.689 6.648 -0.769 1.00 0.00 H new ATOM 0 HG2 GLN A 121 109.443 5.056 0.038 1.00 0.00 H new ATOM 0 HG3 GLN A 121 110.673 6.221 -0.409 1.00 0.00 H new ATOM 0 HE21 GLN A 121 107.975 5.528 1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 121 108.370 6.754 2.968 1.00 0.00 H new ATOM 1900 N PRO A 122 110.213 7.394 -3.871 1.00 0.00 N ATOM 1901 CA PRO A 122 111.436 7.837 -4.535 1.00 0.00 C ATOM 1902 C PRO A 122 112.320 8.696 -3.629 1.00 0.00 C ATOM 1903 O PRO A 122 111.820 9.479 -2.818 1.00 0.00 O ATOM 1904 CB PRO A 122 110.899 8.666 -5.699 1.00 0.00 C ATOM 1905 CG PRO A 122 109.599 9.230 -5.215 1.00 0.00 C ATOM 1906 CD PRO A 122 109.102 8.332 -4.105 1.00 0.00 C ATOM 0 HA PRO A 122 112.072 7.003 -4.831 1.00 0.00 H new ATOM 0 HB2 PRO A 122 111.595 9.459 -5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 122 110.755 8.050 -6.587 1.00 0.00 H new ATOM 0 HG2 PRO A 122 109.734 10.249 -4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 122 108.873 9.274 -6.027 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.867 8.903 -3.207 1.00 0.00 H new ATOM 0 HD3 PRO A 122 108.192 7.807 -4.396 1.00 0.00 H new ATOM 1914 N VAL A 123 113.630 8.547 -3.769 1.00 0.00 N ATOM 1915 CA VAL A 123 114.580 9.310 -2.970 1.00 0.00 C ATOM 1916 C VAL A 123 115.557 10.055 -3.876 1.00 0.00 C ATOM 1917 O VAL A 123 116.048 9.502 -4.859 1.00 0.00 O ATOM 1918 CB VAL A 123 115.377 8.398 -2.006 1.00 0.00 C ATOM 1919 CG1 VAL A 123 116.334 9.213 -1.149 1.00 0.00 C ATOM 1920 CG2 VAL A 123 114.440 7.589 -1.124 1.00 0.00 C ATOM 0 H VAL A 123 114.061 7.902 -4.431 1.00 0.00 H new ATOM 0 HA VAL A 123 114.006 10.023 -2.378 1.00 0.00 H new ATOM 0 HB VAL A 123 115.962 7.707 -2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.881 8.548 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 123 117.038 9.741 -1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.769 9.935 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 123 115.025 6.957 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.821 8.265 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 123 113.801 6.964 -1.748 1.00 0.00 H new ATOM 1930 N THR A 124 115.816 11.313 -3.555 1.00 0.00 N ATOM 1931 CA THR A 124 116.779 12.110 -4.296 1.00 0.00 C ATOM 1932 C THR A 124 118.201 11.799 -3.831 1.00 0.00 C ATOM 1933 O THR A 124 118.406 11.374 -2.695 1.00 0.00 O ATOM 1934 CB THR A 124 116.479 13.610 -4.130 1.00 0.00 C ATOM 1935 OG1 THR A 124 116.025 13.865 -2.794 1.00 0.00 O ATOM 1936 CG2 THR A 124 115.423 14.067 -5.127 1.00 0.00 C ATOM 0 H THR A 124 115.369 11.806 -2.782 1.00 0.00 H new ATOM 0 HA THR A 124 116.695 11.855 -5.352 1.00 0.00 H new ATOM 0 HB THR A 124 117.396 14.169 -4.320 1.00 0.00 H new ATOM 0 HG1 THR A 124 115.836 14.821 -2.690 1.00 0.00 H new ATOM 0 HG21 THR A 124 115.229 15.131 -4.989 1.00 0.00 H new ATOM 0 HG22 THR A 124 115.781 13.892 -6.142 1.00 0.00 H new ATOM 0 HG23 THR A 124 114.503 13.506 -4.965 1.00 0.00 H new ATOM 1944 N ALA A 125 119.171 12.016 -4.712 1.00 0.00 N ATOM 1945 CA ALA A 125 120.563 11.645 -4.454 1.00 0.00 C ATOM 1946 C ALA A 125 121.100 12.257 -3.165 1.00 0.00 C ATOM 1947 O ALA A 125 121.690 11.558 -2.344 1.00 0.00 O ATOM 1948 CB ALA A 125 121.437 12.053 -5.629 1.00 0.00 C ATOM 0 H ALA A 125 119.019 12.452 -5.622 1.00 0.00 H new ATOM 0 HA ALA A 125 120.591 10.562 -4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 125 122.471 11.773 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 125 121.093 11.547 -6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 125 121.375 13.132 -5.772 1.00 0.00 H new ATOM 1954 N GLU A 126 120.875 13.548 -2.975 1.00 0.00 N ATOM 1955 CA GLU A 126 121.437 14.255 -1.827 1.00 0.00 C ATOM 1956 C GLU A 126 120.846 13.754 -0.513 1.00 0.00 C ATOM 1957 O GLU A 126 121.536 13.709 0.505 1.00 0.00 O ATOM 1958 CB GLU A 126 121.224 15.759 -1.983 1.00 0.00 C ATOM 1959 CG GLU A 126 121.952 16.326 -3.188 1.00 0.00 C ATOM 1960 CD GLU A 126 121.564 17.753 -3.498 1.00 0.00 C ATOM 1961 OE1 GLU A 126 120.516 17.952 -4.147 1.00 0.00 O ATOM 1962 OE2 GLU A 126 122.316 18.677 -3.122 1.00 0.00 O ATOM 0 H GLU A 126 120.310 14.128 -3.596 1.00 0.00 H new ATOM 0 HA GLU A 126 122.508 14.052 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 126 120.158 15.964 -2.077 1.00 0.00 H new ATOM 0 HB3 GLU A 126 121.568 16.267 -1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 126 123.027 16.278 -3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 126 121.744 15.702 -4.057 1.00 0.00 H new ATOM 1969 N GLU A 127 119.584 13.347 -0.544 1.00 0.00 N ATOM 1970 CA GLU A 127 118.923 12.838 0.651 1.00 0.00 C ATOM 1971 C GLU A 127 119.307 11.381 0.880 1.00 0.00 C ATOM 1972 O GLU A 127 119.540 10.954 2.011 1.00 0.00 O ATOM 1973 CB GLU A 127 117.406 12.986 0.529 1.00 0.00 C ATOM 1974 CG GLU A 127 116.964 14.407 0.208 1.00 0.00 C ATOM 1975 CD GLU A 127 117.618 15.441 1.105 1.00 0.00 C ATOM 1976 OE1 GLU A 127 117.120 15.666 2.224 1.00 0.00 O ATOM 1977 OE2 GLU A 127 118.636 16.037 0.689 1.00 0.00 O ATOM 0 H GLU A 127 118.999 13.359 -1.380 1.00 0.00 H new ATOM 0 HA GLU A 127 119.252 13.423 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 127 117.044 12.315 -0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 127 116.941 12.670 1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 127 117.203 14.631 -0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 127 115.881 14.478 0.309 1.00 0.00 H new ATOM 1984 N TRP A 128 119.371 10.628 -0.211 1.00 0.00 N ATOM 1985 CA TRP A 128 119.878 9.262 -0.191 1.00 0.00 C ATOM 1986 C TRP A 128 121.248 9.219 0.475 1.00 0.00 C ATOM 1987 O TRP A 128 121.466 8.481 1.437 1.00 0.00 O ATOM 1988 CB TRP A 128 119.972 8.735 -1.631 1.00 0.00 C ATOM 1989 CG TRP A 128 120.683 7.419 -1.765 1.00 0.00 C ATOM 1990 CD1 TRP A 128 122.031 7.221 -1.871 1.00 0.00 C ATOM 1991 CD2 TRP A 128 120.081 6.123 -1.829 1.00 0.00 C ATOM 1992 NE1 TRP A 128 122.305 5.882 -1.978 1.00 0.00 N ATOM 1993 CE2 TRP A 128 121.126 5.186 -1.959 1.00 0.00 C ATOM 1994 CE3 TRP A 128 118.765 5.661 -1.784 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 120.890 3.820 -2.043 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 118.534 4.304 -1.870 1.00 0.00 C ATOM 1997 CH2 TRP A 128 119.593 3.397 -1.997 1.00 0.00 C ATOM 0 H TRP A 128 119.073 10.947 -1.133 1.00 0.00 H new ATOM 0 HA TRP A 128 119.197 8.632 0.381 1.00 0.00 H new ATOM 0 HB2 TRP A 128 118.964 8.632 -2.034 1.00 0.00 H new ATOM 0 HB3 TRP A 128 120.486 9.476 -2.243 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.773 8.006 -1.871 1.00 0.00 H new ATOM 0 HE1 TRP A 128 123.235 5.471 -2.059 1.00 0.00 H new ATOM 0 HE3 TRP A 128 117.942 6.353 -1.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 121.704 3.117 -2.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 117.519 3.935 -1.839 1.00 0.00 H new ATOM 0 HH2 TRP A 128 119.379 2.340 -2.060 1.00 0.00 H new ATOM 2008 N LYS A 129 122.156 10.036 -0.037 1.00 0.00 N ATOM 2009 CA LYS A 129 123.527 10.062 0.443 1.00 0.00 C ATOM 2010 C LYS A 129 123.611 10.714 1.822 1.00 0.00 C ATOM 2011 O LYS A 129 124.581 10.510 2.555 1.00 0.00 O ATOM 2012 CB LYS A 129 124.416 10.783 -0.572 1.00 0.00 C ATOM 2013 CG LYS A 129 124.367 10.142 -1.954 1.00 0.00 C ATOM 2014 CD LYS A 129 125.227 10.876 -2.965 1.00 0.00 C ATOM 2015 CE LYS A 129 125.158 10.199 -4.325 1.00 0.00 C ATOM 2016 NZ LYS A 129 125.953 10.914 -5.356 1.00 0.00 N ATOM 0 H LYS A 129 121.964 10.695 -0.792 1.00 0.00 H new ATOM 0 HA LYS A 129 123.885 9.038 0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 129 124.104 11.825 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 129 125.445 10.784 -0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 129 124.699 9.106 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 129 123.335 10.122 -2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 129 124.893 11.910 -3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 129 126.260 10.903 -2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 129 125.521 9.175 -4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 129 124.118 10.142 -4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 125.874 10.414 -6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 125.592 11.884 -5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 126.951 10.946 -5.064 1.00 0.00 H new ATOM 2030 N LEU A 130 122.587 11.486 2.174 1.00 0.00 N ATOM 2031 CA LEU A 130 122.488 12.062 3.510 1.00 0.00 C ATOM 2032 C LEU A 130 122.265 10.956 4.535 1.00 0.00 C ATOM 2033 O LEU A 130 123.016 10.835 5.502 1.00 0.00 O ATOM 2034 CB LEU A 130 121.335 13.070 3.583 1.00 0.00 C ATOM 2035 CG LEU A 130 121.167 13.780 4.929 1.00 0.00 C ATOM 2036 CD1 LEU A 130 122.244 14.836 5.121 1.00 0.00 C ATOM 2037 CD2 LEU A 130 119.784 14.399 5.030 1.00 0.00 C ATOM 0 H LEU A 130 121.815 11.727 1.553 1.00 0.00 H new ATOM 0 HA LEU A 130 123.420 12.582 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 130 121.485 13.824 2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 130 120.406 12.551 3.347 1.00 0.00 H new ATOM 0 HG LEU A 130 121.274 13.041 5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 130 122.104 15.327 6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 130 123.226 14.363 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 130 122.175 15.575 4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 130 119.679 14.900 5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 130 119.650 15.124 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.029 13.618 4.944 1.00 0.00 H new ATOM 2049 N VAL A 131 121.240 10.139 4.299 1.00 0.00 N ATOM 2050 CA VAL A 131 120.902 9.040 5.199 1.00 0.00 C ATOM 2051 C VAL A 131 122.052 8.038 5.288 1.00 0.00 C ATOM 2052 O VAL A 131 122.373 7.541 6.367 1.00 0.00 O ATOM 2053 CB VAL A 131 119.619 8.307 4.741 1.00 0.00 C ATOM 2054 CG1 VAL A 131 119.249 7.192 5.708 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.464 9.286 4.596 1.00 0.00 C ATOM 0 H VAL A 131 120.627 10.219 3.488 1.00 0.00 H new ATOM 0 HA VAL A 131 120.724 9.474 6.183 1.00 0.00 H new ATOM 0 HB VAL A 131 119.821 7.859 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.343 6.695 5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 131 120.063 6.469 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.075 7.612 6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.571 8.750 4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.272 9.767 5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.720 10.044 3.856 1.00 0.00 H new ATOM 2065 N CYS A 132 122.676 7.758 4.148 1.00 0.00 N ATOM 2066 CA CYS A 132 123.825 6.864 4.105 1.00 0.00 C ATOM 2067 C CYS A 132 124.934 7.368 5.027 1.00 0.00 C ATOM 2068 O CYS A 132 125.441 6.632 5.876 1.00 0.00 O ATOM 2069 CB CYS A 132 124.348 6.754 2.673 1.00 0.00 C ATOM 2070 SG CYS A 132 123.164 6.055 1.498 1.00 0.00 S ATOM 0 H CYS A 132 122.404 8.138 3.242 1.00 0.00 H new ATOM 0 HA CYS A 132 123.509 5.879 4.448 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.641 7.746 2.329 1.00 0.00 H new ATOM 0 HB3 CYS A 132 125.248 6.138 2.674 1.00 0.00 H new ATOM 0 HG CYS A 132 122.344 6.984 1.104 1.00 0.00 H new ATOM 2076 N LYS A 133 125.285 8.635 4.867 1.00 0.00 N ATOM 2077 CA LYS A 133 126.325 9.259 5.673 1.00 0.00 C ATOM 2078 C LYS A 133 125.916 9.338 7.147 1.00 0.00 C ATOM 2079 O LYS A 133 126.755 9.192 8.038 1.00 0.00 O ATOM 2080 CB LYS A 133 126.641 10.641 5.100 1.00 0.00 C ATOM 2081 CG LYS A 133 127.376 11.567 6.060 1.00 0.00 C ATOM 2082 CD LYS A 133 127.604 12.946 5.453 1.00 0.00 C ATOM 2083 CE LYS A 133 126.302 13.573 4.978 1.00 0.00 C ATOM 2084 NZ LYS A 133 126.496 14.969 4.505 1.00 0.00 N ATOM 0 H LYS A 133 124.860 9.257 4.179 1.00 0.00 H new ATOM 0 HA LYS A 133 127.226 8.646 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 133 127.243 10.519 4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 133 125.708 11.117 4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 133 126.802 11.666 6.981 1.00 0.00 H new ATOM 0 HG3 LYS A 133 128.335 11.125 6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 133 128.073 13.596 6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 133 128.296 12.865 4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 133 125.883 12.972 4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 133 125.577 13.563 5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 125.585 15.359 4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 126.871 15.550 5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 127.168 14.976 3.711 1.00 0.00 H new ATOM 2098 N MET A 134 124.628 9.550 7.399 1.00 0.00 N ATOM 2099 CA MET A 134 124.097 9.524 8.763 1.00 0.00 C ATOM 2100 C MET A 134 124.322 8.151 9.392 1.00 0.00 C ATOM 2101 O MET A 134 124.551 8.037 10.597 1.00 0.00 O ATOM 2102 CB MET A 134 122.604 9.870 8.770 1.00 0.00 C ATOM 2103 CG MET A 134 122.312 11.366 8.740 1.00 0.00 C ATOM 2104 SD MET A 134 120.624 11.742 8.227 1.00 0.00 S ATOM 2105 CE MET A 134 119.689 10.925 9.516 1.00 0.00 C ATOM 0 H MET A 134 123.931 9.742 6.679 1.00 0.00 H new ATOM 0 HA MET A 134 124.627 10.273 9.351 1.00 0.00 H new ATOM 0 HB2 MET A 134 122.129 9.401 7.908 1.00 0.00 H new ATOM 0 HB3 MET A 134 122.146 9.439 9.660 1.00 0.00 H new ATOM 0 HG2 MET A 134 122.487 11.785 9.731 1.00 0.00 H new ATOM 0 HG3 MET A 134 123.010 11.854 8.060 1.00 0.00 H new ATOM 0 HE1 MET A 134 118.695 11.367 9.580 1.00 0.00 H new ATOM 0 HE2 MET A 134 119.600 9.864 9.284 1.00 0.00 H new ATOM 0 HE3 MET A 134 120.202 11.046 10.470 1.00 0.00 H new ATOM 2115 N GLY A 135 124.282 7.116 8.560 1.00 0.00 N ATOM 2116 CA GLY A 135 124.515 5.763 9.030 1.00 0.00 C ATOM 2117 C GLY A 135 125.987 5.388 9.019 1.00 0.00 C ATOM 2118 O GLY A 135 126.336 4.212 9.104 1.00 0.00 O ATOM 0 H GLY A 135 124.091 7.191 7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 135 124.125 5.662 10.043 1.00 0.00 H new ATOM 0 HA3 GLY A 135 123.961 5.064 8.404 1.00 0.00 H new ATOM 2122 N GLY A 136 126.849 6.393 8.888 1.00 0.00 N ATOM 2123 CA GLY A 136 128.283 6.165 8.950 1.00 0.00 C ATOM 2124 C GLY A 136 128.843 5.560 7.677 1.00 0.00 C ATOM 2125 O GLY A 136 129.992 5.118 7.645 1.00 0.00 O ATOM 0 H GLY A 136 126.579 7.365 8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 136 128.787 7.111 9.149 1.00 0.00 H new ATOM 0 HA3 GLY A 136 128.504 5.504 9.788 1.00 0.00 H new ATOM 2129 N LEU A 137 128.039 5.541 6.628 1.00 0.00 N ATOM 2130 CA LEU A 137 128.449 4.954 5.363 1.00 0.00 C ATOM 2131 C LEU A 137 129.206 5.971 4.515 1.00 0.00 C ATOM 2132 O LEU A 137 128.602 6.724 3.753 1.00 0.00 O ATOM 2133 CB LEU A 137 127.225 4.449 4.601 1.00 0.00 C ATOM 2134 CG LEU A 137 127.518 3.785 3.258 1.00 0.00 C ATOM 2135 CD1 LEU A 137 127.638 2.278 3.422 1.00 0.00 C ATOM 2136 CD2 LEU A 137 126.445 4.143 2.247 1.00 0.00 C ATOM 0 H LEU A 137 127.095 5.927 6.627 1.00 0.00 H new ATOM 0 HA LEU A 137 129.114 4.116 5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 137 126.694 3.736 5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 137 126.551 5.289 4.433 1.00 0.00 H new ATOM 0 HG LEU A 137 128.472 4.157 2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 137 127.847 1.822 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 137 128.450 2.051 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 137 126.703 1.879 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 137 126.668 3.662 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 137 125.476 3.800 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 137 126.420 5.224 2.111 1.00 0.00 H new