USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=35 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 102 LYS NZ :NH3+ -157:sc= 1.35 (180deg=0.959) USER MOD Set 1.2: A 113 MET CE :methyl -157:sc= -0.31 (180deg=-1.31) USER MOD Set 2.1: A 8 SER OG : rot 74:sc= -2.17! USER MOD Set 2.2: A 51 TYR OH : rot -154:sc= 1.14 USER MOD Set 2.3: A 53 HIS : no HE2:sc= -0.658 K(o=-1.7,f=-4.8) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -138:sc= -0.692! (180deg=0.398) USER MOD Set 3.2: A 121 GLN : amide:sc= -1.92 K(o=-2.6,f=-4.8!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc=-0.00236 USER MOD Single : A 17 GLN : amide:sc= -0.0267 K(o=-0.027,f=-0.72) USER MOD Single : A 18 GLN : amide:sc= 0.286 K(o=0.29,f=-0.28) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= 1.05 (180deg=0.706) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00779 USER MOD Single : A 33 ASN : amide:sc= 0.689 K(o=0.69,f=-7.7!) USER MOD Single : A 34 HIS :FLIP no HD1:sc= 0 F(o=-1.9!,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0043) USER MOD Single : A 39 HIS :FLIP no HE2:sc= -0.0372 F(o=-0.95,f=-0.037) USER MOD Single : A 40 MET CE :methyl 167:sc= -2.77 (180deg=-3.68!) USER MOD Single : A 43 MET CE :methyl 150:sc= -0.0965 (180deg=-1.38) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.899 K(o=0.9,f=-2.9!) USER MOD Single : A 58 LYS NZ :NH3+ 141:sc= -1.07 (180deg=-3.42!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -21:sc= -1.43! USER MOD Single : A 87 LYS NZ :NH3+ -116:sc= 0.108 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= 0.96 (180deg=0.236) USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= -0.0116 (180deg=-0.166) 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 110 MET CE :methyl -117:sc= -1.82 (180deg=-3.18!) USER MOD Single : A 114 LYS NZ :NH3+ -179:sc= 0.871 (180deg=0.813) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot -85:sc= 1.12 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 CYS SG : rot 79:sc= 0.397 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 140:sc= -0.966 (180deg=-1.89) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 117.310 4.668 -10.330 1.00 0.00 N ATOM 20 CA ALA A 2 116.920 5.733 -9.423 1.00 0.00 C ATOM 21 C ALA A 2 117.020 5.249 -7.985 1.00 0.00 C ATOM 22 O ALA A 2 117.535 4.157 -7.727 1.00 0.00 O ATOM 23 CB ALA A 2 115.507 6.212 -9.734 1.00 0.00 C ATOM 0 HA ALA A 2 117.598 6.576 -9.557 1.00 0.00 H new ATOM 0 HB1 ALA A 2 115.233 7.010 -9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 2 115.467 6.587 -10.757 1.00 0.00 H new ATOM 0 HB3 ALA A 2 114.809 5.382 -9.624 1.00 0.00 H new ATOM 29 N TYR A 3 116.529 6.056 -7.058 1.00 0.00 N ATOM 30 CA TYR A 3 116.617 5.735 -5.646 1.00 0.00 C ATOM 31 C TYR A 3 115.223 5.677 -5.040 1.00 0.00 C ATOM 32 O TYR A 3 114.408 6.578 -5.240 1.00 0.00 O ATOM 33 CB TYR A 3 117.486 6.772 -4.932 1.00 0.00 C ATOM 34 CG TYR A 3 118.804 7.009 -5.633 1.00 0.00 C ATOM 35 CD1 TYR A 3 119.840 6.089 -5.535 1.00 0.00 C ATOM 36 CD2 TYR A 3 119.001 8.136 -6.422 1.00 0.00 C ATOM 37 CE1 TYR A 3 121.036 6.289 -6.194 1.00 0.00 C ATOM 38 CE2 TYR A 3 120.193 8.340 -7.091 1.00 0.00 C ATOM 39 CZ TYR A 3 121.206 7.412 -6.973 1.00 0.00 C ATOM 40 OH TYR A 3 122.392 7.605 -7.642 1.00 0.00 O ATOM 0 H TYR A 3 116.064 6.941 -7.261 1.00 0.00 H new ATOM 0 HA TYR A 3 117.082 4.757 -5.523 1.00 0.00 H new ATOM 0 HB2 TYR A 3 116.940 7.713 -4.865 1.00 0.00 H new ATOM 0 HB3 TYR A 3 117.676 6.440 -3.911 1.00 0.00 H new ATOM 0 HD1 TYR A 3 119.707 5.202 -4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 3 118.209 8.865 -6.514 1.00 0.00 H new ATOM 0 HE1 TYR A 3 121.835 5.568 -6.099 1.00 0.00 H new ATOM 0 HE2 TYR A 3 120.330 9.220 -7.702 1.00 0.00 H new ATOM 0 HH TYR A 3 122.350 8.444 -8.147 1.00 0.00 H new ATOM 50 N TRP A 4 114.939 4.598 -4.330 1.00 0.00 N ATOM 51 CA TRP A 4 113.610 4.378 -3.780 1.00 0.00 C ATOM 52 C TRP A 4 113.694 3.993 -2.308 1.00 0.00 C ATOM 53 O TRP A 4 114.779 3.925 -1.731 1.00 0.00 O ATOM 54 CB TRP A 4 112.895 3.267 -4.558 1.00 0.00 C ATOM 55 CG TRP A 4 112.972 3.423 -6.049 1.00 0.00 C ATOM 56 CD1 TRP A 4 113.892 2.854 -6.883 1.00 0.00 C ATOM 57 CD2 TRP A 4 112.102 4.200 -6.882 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.649 3.229 -8.181 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.557 4.055 -8.208 1.00 0.00 C ATOM 60 CE3 TRP A 4 110.985 5.004 -6.638 1.00 0.00 C ATOM 61 CZ2 TRP A 4 111.931 4.683 -9.281 1.00 0.00 C ATOM 62 CZ3 TRP A 4 110.366 5.627 -7.705 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.841 5.463 -9.011 1.00 0.00 C ATOM 0 H TRP A 4 115.611 3.860 -4.120 1.00 0.00 H new ATOM 0 HA TRP A 4 113.046 5.306 -3.871 1.00 0.00 H new ATOM 0 HB2 TRP A 4 113.328 2.306 -4.280 1.00 0.00 H new ATOM 0 HB3 TRP A 4 111.847 3.243 -4.258 1.00 0.00 H new ATOM 0 HD1 TRP A 4 114.694 2.204 -6.567 1.00 0.00 H new ATOM 0 HE1 TRP A 4 114.193 2.939 -8.993 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.612 5.136 -5.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 112.293 4.559 -10.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.502 6.250 -7.528 1.00 0.00 H new ATOM 0 HH2 TRP A 4 110.335 5.964 -9.824 1.00 0.00 H new ATOM 74 N LEU A 5 112.543 3.736 -1.709 1.00 0.00 N ATOM 75 CA LEU A 5 112.477 3.292 -0.327 1.00 0.00 C ATOM 76 C LEU A 5 111.339 2.291 -0.170 1.00 0.00 C ATOM 77 O LEU A 5 110.186 2.601 -0.479 1.00 0.00 O ATOM 78 CB LEU A 5 112.282 4.501 0.605 1.00 0.00 C ATOM 79 CG LEU A 5 112.481 4.241 2.107 1.00 0.00 C ATOM 80 CD1 LEU A 5 112.794 5.543 2.828 1.00 0.00 C ATOM 81 CD2 LEU A 5 111.245 3.602 2.724 1.00 0.00 C ATOM 0 H LEU A 5 111.634 3.828 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 5 113.411 2.802 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 5 112.975 5.285 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 5 111.275 4.890 0.455 1.00 0.00 H new ATOM 0 HG LEU A 5 113.318 3.552 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 5 112.933 5.346 3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 5 113.706 5.976 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 5 111.968 6.241 2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 5 111.416 3.430 3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 5 110.390 4.266 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 5 111.042 2.651 2.231 1.00 0.00 H new ATOM 93 N VAL A 6 111.669 1.091 0.289 1.00 0.00 N ATOM 94 CA VAL A 6 110.670 0.052 0.501 1.00 0.00 C ATOM 95 C VAL A 6 110.551 -0.274 1.986 1.00 0.00 C ATOM 96 O VAL A 6 111.534 -0.218 2.726 1.00 0.00 O ATOM 97 CB VAL A 6 110.994 -1.238 -0.289 1.00 0.00 C ATOM 98 CG1 VAL A 6 110.934 -0.980 -1.787 1.00 0.00 C ATOM 99 CG2 VAL A 6 112.354 -1.800 0.101 1.00 0.00 C ATOM 0 H VAL A 6 112.622 0.813 0.522 1.00 0.00 H new ATOM 0 HA VAL A 6 109.721 0.441 0.132 1.00 0.00 H new ATOM 0 HB VAL A 6 110.239 -1.981 -0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 6 111.165 -1.900 -2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 6 109.934 -0.643 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 6 111.660 -0.212 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.551 -2.706 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 6 113.127 -1.061 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 6 112.359 -2.036 1.165 1.00 0.00 H new ATOM 109 N LYS A 7 109.344 -0.593 2.421 1.00 0.00 N ATOM 110 CA LYS A 7 109.101 -0.911 3.819 1.00 0.00 C ATOM 111 C LYS A 7 108.795 -2.389 3.982 1.00 0.00 C ATOM 112 O LYS A 7 107.863 -2.909 3.370 1.00 0.00 O ATOM 113 CB LYS A 7 107.947 -0.069 4.369 1.00 0.00 C ATOM 114 CG LYS A 7 108.242 1.419 4.371 1.00 0.00 C ATOM 115 CD LYS A 7 107.080 2.226 4.921 1.00 0.00 C ATOM 116 CE LYS A 7 107.393 3.711 4.902 1.00 0.00 C ATOM 117 NZ LYS A 7 107.754 4.172 3.538 1.00 0.00 N ATOM 0 H LYS A 7 108.516 -0.639 1.827 1.00 0.00 H new ATOM 0 HA LYS A 7 110.003 -0.677 4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 7 107.054 -0.255 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 7 107.724 -0.390 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 7 109.133 1.612 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 7 108.463 1.747 3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 7 106.185 2.032 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 7 106.863 1.909 5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 7 106.529 4.271 5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 7 108.214 3.920 5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 108.561 4.825 3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 108.012 3.353 2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 106.942 4.661 3.111 1.00 0.00 H new ATOM 131 N SER A 8 109.589 -3.058 4.797 1.00 0.00 N ATOM 132 CA SER A 8 109.408 -4.474 5.046 1.00 0.00 C ATOM 133 C SER A 8 109.421 -4.745 6.544 1.00 0.00 C ATOM 134 O SER A 8 110.242 -4.191 7.277 1.00 0.00 O ATOM 135 CB SER A 8 110.510 -5.275 4.351 1.00 0.00 C ATOM 136 OG SER A 8 110.332 -6.664 4.544 1.00 0.00 O ATOM 0 H SER A 8 110.371 -2.639 5.301 1.00 0.00 H new ATOM 0 HA SER A 8 108.444 -4.785 4.642 1.00 0.00 H new ATOM 0 HB2 SER A 8 110.509 -5.050 3.284 1.00 0.00 H new ATOM 0 HB3 SER A 8 111.483 -4.973 4.739 1.00 0.00 H new ATOM 0 HG SER A 8 109.587 -6.978 3.990 1.00 0.00 H new ATOM 142 N GLU A 9 108.502 -5.578 7.000 1.00 0.00 N ATOM 143 CA GLU A 9 108.425 -5.929 8.408 1.00 0.00 C ATOM 144 C GLU A 9 109.241 -7.188 8.681 1.00 0.00 C ATOM 145 O GLU A 9 109.074 -8.197 8.000 1.00 0.00 O ATOM 146 CB GLU A 9 106.968 -6.123 8.826 1.00 0.00 C ATOM 147 CG GLU A 9 106.121 -4.871 8.650 1.00 0.00 C ATOM 148 CD GLU A 9 104.715 -5.024 9.194 1.00 0.00 C ATOM 149 OE1 GLU A 9 104.512 -5.851 10.107 1.00 0.00 O ATOM 150 OE2 GLU A 9 103.813 -4.291 8.734 1.00 0.00 O ATOM 0 H GLU A 9 107.797 -6.025 6.414 1.00 0.00 H new ATOM 0 HA GLU A 9 108.843 -5.115 8.999 1.00 0.00 H new ATOM 0 HB2 GLU A 9 106.534 -6.933 8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 9 106.935 -6.432 9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 9 106.609 -4.036 9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 9 106.069 -4.620 7.590 1.00 0.00 H new ATOM 157 N PRO A 10 110.130 -7.138 9.690 1.00 0.00 N ATOM 158 CA PRO A 10 111.079 -8.226 9.987 1.00 0.00 C ATOM 159 C PRO A 10 110.401 -9.544 10.355 1.00 0.00 C ATOM 160 O PRO A 10 111.007 -10.609 10.246 1.00 0.00 O ATOM 161 CB PRO A 10 111.886 -7.690 11.176 1.00 0.00 C ATOM 162 CG PRO A 10 111.042 -6.617 11.770 1.00 0.00 C ATOM 163 CD PRO A 10 110.278 -6.013 10.629 1.00 0.00 C ATOM 0 HA PRO A 10 111.682 -8.467 9.112 1.00 0.00 H new ATOM 0 HB2 PRO A 10 112.089 -8.478 11.901 1.00 0.00 H new ATOM 0 HB3 PRO A 10 112.850 -7.298 10.853 1.00 0.00 H new ATOM 0 HG2 PRO A 10 110.365 -7.024 12.521 1.00 0.00 H new ATOM 0 HG3 PRO A 10 111.657 -5.867 12.268 1.00 0.00 H new ATOM 0 HD2 PRO A 10 109.311 -5.628 10.951 1.00 0.00 H new ATOM 0 HD3 PRO A 10 110.819 -5.181 10.178 1.00 0.00 H new ATOM 171 N SER A 11 109.151 -9.472 10.793 1.00 0.00 N ATOM 172 CA SER A 11 108.394 -10.669 11.119 1.00 0.00 C ATOM 173 C SER A 11 108.013 -11.416 9.840 1.00 0.00 C ATOM 174 O SER A 11 107.841 -12.638 9.844 1.00 0.00 O ATOM 175 CB SER A 11 107.142 -10.297 11.916 1.00 0.00 C ATOM 176 OG SER A 11 106.460 -11.449 12.385 1.00 0.00 O ATOM 0 H SER A 11 108.642 -8.599 10.930 1.00 0.00 H new ATOM 0 HA SER A 11 109.014 -11.325 11.731 1.00 0.00 H new ATOM 0 HB2 SER A 11 107.422 -9.669 12.762 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.473 -9.707 11.289 1.00 0.00 H new ATOM 0 HG SER A 11 105.666 -11.176 12.891 1.00 0.00 H new ATOM 182 N VAL A 12 107.900 -10.677 8.745 1.00 0.00 N ATOM 183 CA VAL A 12 107.551 -11.259 7.459 1.00 0.00 C ATOM 184 C VAL A 12 108.811 -11.490 6.632 1.00 0.00 C ATOM 185 O VAL A 12 109.069 -12.597 6.157 1.00 0.00 O ATOM 186 CB VAL A 12 106.581 -10.346 6.674 1.00 0.00 C ATOM 187 CG1 VAL A 12 106.147 -11.008 5.374 1.00 0.00 C ATOM 188 CG2 VAL A 12 105.374 -9.977 7.528 1.00 0.00 C ATOM 0 H VAL A 12 108.046 -9.668 8.723 1.00 0.00 H new ATOM 0 HA VAL A 12 107.053 -12.210 7.647 1.00 0.00 H new ATOM 0 HB VAL A 12 107.109 -9.426 6.423 1.00 0.00 H new ATOM 0 HG11 VAL A 12 105.465 -10.347 4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 12 107.023 -11.204 4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 12 105.642 -11.948 5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 12 104.706 -9.334 6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 12 104.844 -10.884 7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 12 105.708 -9.449 8.421 1.00 0.00 H new ATOM 198 N TRP A 13 109.602 -10.440 6.484 1.00 0.00 N ATOM 199 CA TRP A 13 110.825 -10.500 5.705 1.00 0.00 C ATOM 200 C TRP A 13 111.959 -9.858 6.493 1.00 0.00 C ATOM 201 O TRP A 13 111.926 -8.659 6.784 1.00 0.00 O ATOM 202 CB TRP A 13 110.622 -9.782 4.370 1.00 0.00 C ATOM 203 CG TRP A 13 111.704 -10.053 3.375 1.00 0.00 C ATOM 204 CD1 TRP A 13 112.656 -9.182 2.929 1.00 0.00 C ATOM 205 CD2 TRP A 13 111.942 -11.290 2.701 1.00 0.00 C ATOM 206 NE1 TRP A 13 113.469 -9.804 2.013 1.00 0.00 N ATOM 207 CE2 TRP A 13 113.050 -11.100 1.860 1.00 0.00 C ATOM 208 CE3 TRP A 13 111.316 -12.540 2.730 1.00 0.00 C ATOM 209 CZ2 TRP A 13 113.552 -12.118 1.054 1.00 0.00 C ATOM 210 CZ3 TRP A 13 111.815 -13.547 1.931 1.00 0.00 C ATOM 211 CH2 TRP A 13 112.921 -13.332 1.105 1.00 0.00 C ATOM 0 H TRP A 13 109.415 -9.527 6.899 1.00 0.00 H new ATOM 0 HA TRP A 13 111.082 -11.540 5.503 1.00 0.00 H new ATOM 0 HB2 TRP A 13 109.665 -10.085 3.945 1.00 0.00 H new ATOM 0 HB3 TRP A 13 110.565 -8.708 4.549 1.00 0.00 H new ATOM 0 HD1 TRP A 13 112.755 -8.155 3.249 1.00 0.00 H new ATOM 0 HE1 TRP A 13 114.255 -9.372 1.527 1.00 0.00 H new ATOM 0 HE3 TRP A 13 110.460 -12.713 3.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 114.406 -11.956 0.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 111.343 -14.518 1.944 1.00 0.00 H new ATOM 0 HH2 TRP A 13 113.287 -14.143 0.492 1.00 0.00 H new ATOM 222 N SER A 14 112.944 -10.657 6.859 1.00 0.00 N ATOM 223 CA SER A 14 114.043 -10.179 7.680 1.00 0.00 C ATOM 224 C SER A 14 115.213 -9.717 6.805 1.00 0.00 C ATOM 225 O SER A 14 115.178 -9.854 5.580 1.00 0.00 O ATOM 226 CB SER A 14 114.480 -11.278 8.650 1.00 0.00 C ATOM 227 OG SER A 14 115.319 -10.764 9.668 1.00 0.00 O ATOM 0 H SER A 14 113.006 -11.642 6.601 1.00 0.00 H new ATOM 0 HA SER A 14 113.706 -9.319 8.259 1.00 0.00 H new ATOM 0 HB2 SER A 14 113.601 -11.740 9.099 1.00 0.00 H new ATOM 0 HB3 SER A 14 115.006 -12.060 8.103 1.00 0.00 H new ATOM 0 HG SER A 14 115.581 -11.489 10.273 1.00 0.00 H new ATOM 233 N TRP A 15 116.244 -9.158 7.435 1.00 0.00 N ATOM 234 CA TRP A 15 117.386 -8.620 6.701 1.00 0.00 C ATOM 235 C TRP A 15 118.312 -9.744 6.248 1.00 0.00 C ATOM 236 O TRP A 15 118.624 -9.854 5.061 1.00 0.00 O ATOM 237 CB TRP A 15 118.143 -7.598 7.557 1.00 0.00 C ATOM 238 CG TRP A 15 119.410 -7.087 6.927 1.00 0.00 C ATOM 239 CD1 TRP A 15 120.656 -7.100 7.483 1.00 0.00 C ATOM 240 CD2 TRP A 15 119.559 -6.495 5.627 1.00 0.00 C ATOM 241 NE1 TRP A 15 121.568 -6.551 6.615 1.00 0.00 N ATOM 242 CE2 TRP A 15 120.920 -6.171 5.470 1.00 0.00 C ATOM 243 CE3 TRP A 15 118.676 -6.205 4.583 1.00 0.00 C ATOM 244 CZ2 TRP A 15 121.417 -5.576 4.313 1.00 0.00 C ATOM 245 CZ3 TRP A 15 119.171 -5.615 3.435 1.00 0.00 C ATOM 246 CH2 TRP A 15 120.530 -5.306 3.308 1.00 0.00 C ATOM 0 H TRP A 15 116.312 -9.066 8.449 1.00 0.00 H new ATOM 0 HA TRP A 15 117.015 -8.110 5.812 1.00 0.00 H new ATOM 0 HB2 TRP A 15 117.485 -6.753 7.761 1.00 0.00 H new ATOM 0 HB3 TRP A 15 118.385 -8.053 8.517 1.00 0.00 H new ATOM 0 HD1 TRP A 15 120.891 -7.486 8.464 1.00 0.00 H new ATOM 0 HE1 TRP A 15 122.566 -6.444 6.794 1.00 0.00 H new ATOM 0 HE3 TRP A 15 117.625 -6.438 4.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 122.465 -5.336 4.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 118.497 -5.389 2.622 1.00 0.00 H new ATOM 0 HH2 TRP A 15 120.885 -4.845 2.398 1.00 0.00 H new ATOM 257 N ASP A 16 118.729 -10.585 7.193 1.00 0.00 N ATOM 258 CA ASP A 16 119.566 -11.750 6.884 1.00 0.00 C ATOM 259 C ASP A 16 118.879 -12.611 5.837 1.00 0.00 C ATOM 260 O ASP A 16 119.521 -13.221 4.979 1.00 0.00 O ATOM 261 CB ASP A 16 119.806 -12.596 8.138 1.00 0.00 C ATOM 262 CG ASP A 16 120.390 -11.806 9.291 1.00 0.00 C ATOM 263 OD1 ASP A 16 119.621 -11.101 9.979 1.00 0.00 O ATOM 264 OD2 ASP A 16 121.609 -11.910 9.532 1.00 0.00 O ATOM 0 H ASP A 16 118.502 -10.483 8.182 1.00 0.00 H new ATOM 0 HA ASP A 16 120.524 -11.391 6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 16 118.863 -13.042 8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 16 120.480 -13.417 7.891 1.00 0.00 H new ATOM 269 N GLN A 17 117.556 -12.628 5.927 1.00 0.00 N ATOM 270 CA GLN A 17 116.691 -13.355 5.008 1.00 0.00 C ATOM 271 C GLN A 17 116.954 -12.944 3.557 1.00 0.00 C ATOM 272 O GLN A 17 116.941 -13.777 2.652 1.00 0.00 O ATOM 273 CB GLN A 17 115.239 -13.060 5.392 1.00 0.00 C ATOM 274 CG GLN A 17 114.191 -13.837 4.618 1.00 0.00 C ATOM 275 CD GLN A 17 114.292 -15.333 4.817 1.00 0.00 C ATOM 276 OE1 GLN A 17 114.798 -15.811 5.834 1.00 0.00 O ATOM 277 NE2 GLN A 17 113.752 -16.081 3.876 1.00 0.00 N ATOM 0 H GLN A 17 117.045 -12.128 6.654 1.00 0.00 H new ATOM 0 HA GLN A 17 116.895 -14.423 5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 17 115.112 -13.270 6.454 1.00 0.00 H new ATOM 0 HB3 GLN A 17 115.053 -11.995 5.253 1.00 0.00 H new ATOM 0 HG2 GLN A 17 113.200 -13.502 4.924 1.00 0.00 H new ATOM 0 HG3 GLN A 17 114.290 -13.610 3.556 1.00 0.00 H new ATOM 0 HE21 GLN A 17 113.344 -15.645 3.049 1.00 0.00 H new ATOM 0 HE22 GLN A 17 113.742 -17.096 3.974 1.00 0.00 H new ATOM 286 N GLN A 18 117.207 -11.657 3.349 1.00 0.00 N ATOM 287 CA GLN A 18 117.450 -11.126 2.015 1.00 0.00 C ATOM 288 C GLN A 18 118.940 -11.172 1.675 1.00 0.00 C ATOM 289 O GLN A 18 119.312 -11.274 0.507 1.00 0.00 O ATOM 290 CB GLN A 18 116.926 -9.686 1.923 1.00 0.00 C ATOM 291 CG GLN A 18 117.068 -9.054 0.546 1.00 0.00 C ATOM 292 CD GLN A 18 116.278 -9.785 -0.524 1.00 0.00 C ATOM 293 OE1 GLN A 18 115.109 -9.491 -0.748 1.00 0.00 O ATOM 294 NE2 GLN A 18 116.912 -10.736 -1.193 1.00 0.00 N ATOM 0 H GLN A 18 117.249 -10.960 4.092 1.00 0.00 H new ATOM 0 HA GLN A 18 116.918 -11.745 1.293 1.00 0.00 H new ATOM 0 HB2 GLN A 18 115.874 -9.676 2.208 1.00 0.00 H new ATOM 0 HB3 GLN A 18 117.458 -9.071 2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 18 116.735 -8.017 0.592 1.00 0.00 H new ATOM 0 HG3 GLN A 18 118.121 -9.038 0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 18 117.885 -10.950 -0.976 1.00 0.00 H new ATOM 0 HE22 GLN A 18 116.427 -11.254 -1.925 1.00 0.00 H new ATOM 303 N VAL A 19 119.787 -11.103 2.698 1.00 0.00 N ATOM 304 CA VAL A 19 121.234 -11.182 2.504 1.00 0.00 C ATOM 305 C VAL A 19 121.622 -12.556 1.971 1.00 0.00 C ATOM 306 O VAL A 19 122.421 -12.674 1.040 1.00 0.00 O ATOM 307 CB VAL A 19 122.005 -10.901 3.813 1.00 0.00 C ATOM 308 CG1 VAL A 19 123.506 -11.042 3.602 1.00 0.00 C ATOM 309 CG2 VAL A 19 121.678 -9.515 4.340 1.00 0.00 C ATOM 0 H VAL A 19 119.498 -10.993 3.670 1.00 0.00 H new ATOM 0 HA VAL A 19 121.506 -10.415 1.778 1.00 0.00 H new ATOM 0 HB VAL A 19 121.691 -11.639 4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 19 124.026 -10.839 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 19 123.734 -12.056 3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 19 123.835 -10.332 2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 19 122.231 -9.337 5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 19 121.959 -8.768 3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 19 120.609 -9.444 4.539 1.00 0.00 H new ATOM 319 N ALA A 20 121.027 -13.594 2.550 1.00 0.00 N ATOM 320 CA ALA A 20 121.258 -14.962 2.100 1.00 0.00 C ATOM 321 C ALA A 20 120.669 -15.180 0.709 1.00 0.00 C ATOM 322 O ALA A 20 120.945 -16.183 0.048 1.00 0.00 O ATOM 323 CB ALA A 20 120.666 -15.951 3.094 1.00 0.00 C ATOM 0 H ALA A 20 120.380 -13.513 3.334 1.00 0.00 H new ATOM 0 HA ALA A 20 122.334 -15.129 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 20 120.845 -16.968 2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 20 121.135 -15.813 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 20 119.593 -15.781 3.181 1.00 0.00 H new ATOM 329 N LYS A 21 119.854 -14.231 0.278 1.00 0.00 N ATOM 330 CA LYS A 21 119.245 -14.263 -1.041 1.00 0.00 C ATOM 331 C LYS A 21 119.811 -13.149 -1.915 1.00 0.00 C ATOM 332 O LYS A 21 119.170 -12.716 -2.871 1.00 0.00 O ATOM 333 CB LYS A 21 117.728 -14.112 -0.917 1.00 0.00 C ATOM 334 CG LYS A 21 117.040 -15.350 -0.377 1.00 0.00 C ATOM 335 CD LYS A 21 115.560 -15.111 -0.135 1.00 0.00 C ATOM 336 CE LYS A 21 114.797 -16.417 0.004 1.00 0.00 C ATOM 337 NZ LYS A 21 114.701 -17.141 -1.292 1.00 0.00 N ATOM 0 H LYS A 21 119.596 -13.416 0.834 1.00 0.00 H new ATOM 0 HA LYS A 21 119.472 -15.221 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 21 117.507 -13.269 -0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 21 117.313 -13.873 -1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 21 117.165 -16.172 -1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 21 117.517 -15.654 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 21 115.430 -14.515 0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 21 115.145 -14.533 -0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 21 115.293 -17.051 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 21 113.795 -16.214 0.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 113.986 -17.892 -1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 114.427 -16.475 -2.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 115.623 -17.563 -1.523 1.00 0.00 H new ATOM 351 N GLY A 22 121.020 -12.707 -1.588 1.00 0.00 N ATOM 352 CA GLY A 22 121.648 -11.617 -2.317 1.00 0.00 C ATOM 353 C GLY A 22 121.846 -11.930 -3.787 1.00 0.00 C ATOM 354 O GLY A 22 121.504 -11.126 -4.652 1.00 0.00 O ATOM 0 H GLY A 22 121.581 -13.086 -0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 22 121.035 -10.721 -2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 22 122.614 -11.393 -1.865 1.00 0.00 H new ATOM 358 N ALA A 23 122.386 -13.107 -4.073 1.00 0.00 N ATOM 359 CA ALA A 23 122.631 -13.517 -5.450 1.00 0.00 C ATOM 360 C ALA A 23 121.413 -14.217 -6.038 1.00 0.00 C ATOM 361 O ALA A 23 121.403 -14.592 -7.210 1.00 0.00 O ATOM 362 CB ALA A 23 123.849 -14.426 -5.521 1.00 0.00 C ATOM 0 H ALA A 23 122.663 -13.794 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 23 122.824 -12.622 -6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 23 124.020 -14.725 -6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 23 124.723 -13.893 -5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.677 -15.313 -4.911 1.00 0.00 H new ATOM 368 N ALA A 24 120.385 -14.389 -5.222 1.00 0.00 N ATOM 369 CA ALA A 24 119.175 -15.071 -5.656 1.00 0.00 C ATOM 370 C ALA A 24 118.120 -14.063 -6.092 1.00 0.00 C ATOM 371 O ALA A 24 117.668 -14.074 -7.235 1.00 0.00 O ATOM 372 CB ALA A 24 118.640 -15.956 -4.540 1.00 0.00 C ATOM 0 H ALA A 24 120.364 -14.066 -4.255 1.00 0.00 H new ATOM 0 HA ALA A 24 119.419 -15.701 -6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 24 117.735 -16.460 -4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 24 119.391 -16.699 -4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 24 118.410 -15.343 -3.668 1.00 0.00 H new ATOM 378 N GLY A 25 117.754 -13.176 -5.179 1.00 0.00 N ATOM 379 CA GLY A 25 116.734 -12.192 -5.468 1.00 0.00 C ATOM 380 C GLY A 25 115.341 -12.700 -5.182 1.00 0.00 C ATOM 381 O GLY A 25 115.066 -13.893 -5.296 1.00 0.00 O ATOM 0 H GLY A 25 118.148 -13.121 -4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 25 116.919 -11.297 -4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 25 116.802 -11.900 -6.516 1.00 0.00 H new ATOM 385 N GLU A 26 114.468 -11.786 -4.807 1.00 0.00 N ATOM 386 CA GLU A 26 113.075 -12.111 -4.543 1.00 0.00 C ATOM 387 C GLU A 26 112.166 -11.160 -5.301 1.00 0.00 C ATOM 388 O GLU A 26 112.467 -9.970 -5.429 1.00 0.00 O ATOM 389 CB GLU A 26 112.768 -12.035 -3.048 1.00 0.00 C ATOM 390 CG GLU A 26 113.322 -13.200 -2.245 1.00 0.00 C ATOM 391 CD GLU A 26 112.673 -14.526 -2.600 1.00 0.00 C ATOM 392 OE1 GLU A 26 111.423 -14.601 -2.615 1.00 0.00 O ATOM 393 OE2 GLU A 26 113.405 -15.502 -2.851 1.00 0.00 O ATOM 0 H GLU A 26 114.700 -10.801 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 26 112.896 -13.132 -4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 26 113.176 -11.106 -2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 26 111.687 -11.993 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 26 114.397 -13.271 -2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 26 113.177 -13.004 -1.183 1.00 0.00 H new ATOM 400 N ALA A 27 111.063 -11.687 -5.800 1.00 0.00 N ATOM 401 CA ALA A 27 110.109 -10.889 -6.546 1.00 0.00 C ATOM 402 C ALA A 27 109.145 -10.186 -5.602 1.00 0.00 C ATOM 403 O ALA A 27 108.452 -10.831 -4.810 1.00 0.00 O ATOM 404 CB ALA A 27 109.351 -11.760 -7.539 1.00 0.00 C ATOM 0 H ALA A 27 110.805 -12.669 -5.701 1.00 0.00 H new ATOM 0 HA ALA A 27 110.655 -10.128 -7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 27 108.639 -11.147 -8.091 1.00 0.00 H new ATOM 0 HB2 ALA A 27 110.055 -12.215 -8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 27 108.816 -12.543 -7.002 1.00 0.00 H new ATOM 410 N TRP A 28 109.118 -8.864 -5.683 1.00 0.00 N ATOM 411 CA TRP A 28 108.227 -8.051 -4.868 1.00 0.00 C ATOM 412 C TRP A 28 106.809 -8.157 -5.420 1.00 0.00 C ATOM 413 O TRP A 28 106.341 -7.285 -6.153 1.00 0.00 O ATOM 414 CB TRP A 28 108.716 -6.596 -4.874 1.00 0.00 C ATOM 415 CG TRP A 28 108.380 -5.812 -3.636 1.00 0.00 C ATOM 416 CD1 TRP A 28 107.738 -4.608 -3.580 1.00 0.00 C ATOM 417 CD2 TRP A 28 108.683 -6.168 -2.281 1.00 0.00 C ATOM 418 NE1 TRP A 28 107.632 -4.190 -2.274 1.00 0.00 N ATOM 419 CE2 TRP A 28 108.198 -5.133 -1.458 1.00 0.00 C ATOM 420 CE3 TRP A 28 109.315 -7.263 -1.681 1.00 0.00 C ATOM 421 CZ2 TRP A 28 108.329 -5.160 -0.071 1.00 0.00 C ATOM 422 CZ3 TRP A 28 109.444 -7.288 -0.306 1.00 0.00 C ATOM 423 CH2 TRP A 28 108.951 -6.243 0.487 1.00 0.00 C ATOM 0 H TRP A 28 109.712 -8.325 -6.314 1.00 0.00 H new ATOM 0 HA TRP A 28 108.226 -8.407 -3.838 1.00 0.00 H new ATOM 0 HB2 TRP A 28 109.798 -6.592 -5.007 1.00 0.00 H new ATOM 0 HB3 TRP A 28 108.287 -6.087 -5.737 1.00 0.00 H new ATOM 0 HD1 TRP A 28 107.368 -4.064 -4.436 1.00 0.00 H new ATOM 0 HE1 TRP A 28 107.202 -3.319 -1.964 1.00 0.00 H new ATOM 0 HE3 TRP A 28 109.696 -8.075 -2.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 107.953 -4.354 0.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 109.933 -8.127 0.166 1.00 0.00 H new ATOM 0 HH2 TRP A 28 109.064 -6.294 1.560 1.00 0.00 H new ATOM 434 N THR A 29 106.154 -9.262 -5.094 1.00 0.00 N ATOM 435 CA THR A 29 104.857 -9.595 -5.658 1.00 0.00 C ATOM 436 C THR A 29 103.726 -9.300 -4.685 1.00 0.00 C ATOM 437 O THR A 29 103.961 -9.024 -3.505 1.00 0.00 O ATOM 438 CB THR A 29 104.809 -11.087 -6.041 1.00 0.00 C ATOM 439 OG1 THR A 29 105.279 -11.888 -4.943 1.00 0.00 O ATOM 440 CG2 THR A 29 105.658 -11.363 -7.271 1.00 0.00 C ATOM 0 H THR A 29 106.508 -9.952 -4.431 1.00 0.00 H new ATOM 0 HA THR A 29 104.723 -8.975 -6.545 1.00 0.00 H new ATOM 0 HB THR A 29 103.775 -11.346 -6.270 1.00 0.00 H new ATOM 0 HG1 THR A 29 105.245 -12.835 -5.191 1.00 0.00 H new ATOM 0 HG21 THR A 29 105.606 -12.423 -7.519 1.00 0.00 H new ATOM 0 HG22 THR A 29 105.285 -10.776 -8.110 1.00 0.00 H new ATOM 0 HG23 THR A 29 106.693 -11.088 -7.068 1.00 0.00 H new ATOM 448 N GLY A 30 102.499 -9.368 -5.187 1.00 0.00 N ATOM 449 CA GLY A 30 101.334 -9.196 -4.342 1.00 0.00 C ATOM 450 C GLY A 30 101.054 -7.743 -4.028 1.00 0.00 C ATOM 451 O GLY A 30 100.346 -7.431 -3.071 1.00 0.00 O ATOM 0 H GLY A 30 102.290 -9.540 -6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 30 100.465 -9.632 -4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 30 101.481 -9.744 -3.411 1.00 0.00 H new ATOM 455 N VAL A 31 101.607 -6.854 -4.838 1.00 0.00 N ATOM 456 CA VAL A 31 101.415 -5.427 -4.639 1.00 0.00 C ATOM 457 C VAL A 31 100.088 -4.960 -5.237 1.00 0.00 C ATOM 458 O VAL A 31 99.987 -4.646 -6.424 1.00 0.00 O ATOM 459 CB VAL A 31 102.585 -4.600 -5.216 1.00 0.00 C ATOM 460 CG1 VAL A 31 103.813 -4.738 -4.331 1.00 0.00 C ATOM 461 CG2 VAL A 31 102.912 -5.033 -6.638 1.00 0.00 C ATOM 0 H VAL A 31 102.192 -7.095 -5.638 1.00 0.00 H new ATOM 0 HA VAL A 31 101.389 -5.259 -3.562 1.00 0.00 H new ATOM 0 HB VAL A 31 102.280 -3.554 -5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 31 104.630 -4.150 -4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 31 103.582 -4.377 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 31 104.109 -5.786 -4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 31 103.739 -4.434 -7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 31 103.194 -6.086 -6.642 1.00 0.00 H new ATOM 0 HG23 VAL A 31 102.037 -4.889 -7.272 1.00 0.00 H new ATOM 471 N ARG A 32 99.063 -4.933 -4.399 1.00 0.00 N ATOM 472 CA ARG A 32 97.739 -4.510 -4.826 1.00 0.00 C ATOM 473 C ARG A 32 97.584 -3.004 -4.654 1.00 0.00 C ATOM 474 O ARG A 32 96.625 -2.406 -5.141 1.00 0.00 O ATOM 475 CB ARG A 32 96.658 -5.272 -4.049 1.00 0.00 C ATOM 476 CG ARG A 32 96.795 -5.173 -2.538 1.00 0.00 C ATOM 477 CD ARG A 32 95.875 -6.152 -1.824 1.00 0.00 C ATOM 478 NE ARG A 32 96.129 -7.542 -2.212 1.00 0.00 N ATOM 479 CZ ARG A 32 96.606 -8.475 -1.382 1.00 0.00 C ATOM 480 NH1 ARG A 32 96.913 -8.162 -0.129 1.00 0.00 N ATOM 481 NH2 ARG A 32 96.772 -9.723 -1.805 1.00 0.00 N ATOM 0 H ARG A 32 99.124 -5.200 -3.416 1.00 0.00 H new ATOM 0 HA ARG A 32 97.618 -4.743 -5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 32 95.679 -4.891 -4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 32 96.690 -6.322 -4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 32 97.828 -5.370 -2.253 1.00 0.00 H new ATOM 0 HG3 ARG A 32 96.564 -4.157 -2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 32 96.005 -6.049 -0.747 1.00 0.00 H new ATOM 0 HD3 ARG A 32 94.838 -5.900 -2.046 1.00 0.00 H new ATOM 0 HE ARG A 32 95.930 -7.814 -3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 32 96.785 -7.206 0.204 1.00 0.00 H new ATOM 0 HH12 ARG A 32 97.277 -8.877 0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 32 96.535 -9.972 -2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 32 97.136 -10.433 -1.169 1.00 0.00 H new ATOM 495 N ASN A 33 98.541 -2.396 -3.963 1.00 0.00 N ATOM 496 CA ASN A 33 98.590 -0.945 -3.831 1.00 0.00 C ATOM 497 C ASN A 33 99.144 -0.339 -5.116 1.00 0.00 C ATOM 498 O ASN A 33 100.289 -0.600 -5.493 1.00 0.00 O ATOM 499 CB ASN A 33 99.457 -0.533 -2.637 1.00 0.00 C ATOM 500 CG ASN A 33 99.512 0.973 -2.448 1.00 0.00 C ATOM 501 OD1 ASN A 33 100.369 1.653 -3.013 1.00 0.00 O ATOM 502 ND2 ASN A 33 98.600 1.502 -1.648 1.00 0.00 N ATOM 0 H ASN A 33 99.296 -2.887 -3.484 1.00 0.00 H new ATOM 0 HA ASN A 33 97.580 -0.574 -3.657 1.00 0.00 H new ATOM 0 HB2 ASN A 33 99.065 -0.995 -1.731 1.00 0.00 H new ATOM 0 HB3 ASN A 33 100.468 -0.915 -2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 33 98.590 2.508 -1.481 1.00 0.00 H new ATOM 0 HD22 ASN A 33 97.907 0.904 -1.199 1.00 0.00 H new ATOM 509 N HIS A 34 98.333 0.463 -5.788 1.00 0.00 N ATOM 510 CA HIS A 34 98.693 0.977 -7.103 1.00 0.00 C ATOM 511 C HIS A 34 99.733 2.088 -7.031 1.00 0.00 C ATOM 512 O HIS A 34 100.485 2.286 -7.984 1.00 0.00 O ATOM 513 CB HIS A 34 97.450 1.446 -7.859 1.00 0.00 C ATOM 514 CG HIS A 34 96.677 0.316 -8.470 1.00 0.00 C ATOM 515 ND1 HIS A 34 97.090 -0.699 -9.263 1.00 0.00 N flip ATOM 516 CD2 HIS A 34 95.322 0.145 -8.311 1.00 0.00 C flip ATOM 517 CE1 HIS A 34 95.990 -1.458 -9.566 1.00 0.00 C flip ATOM 518 NE2 HIS A 34 94.935 -0.929 -8.979 1.00 0.00 N flip ATOM 0 H HIS A 34 97.423 0.772 -5.447 1.00 0.00 H new ATOM 0 HA HIS A 34 99.148 0.153 -7.652 1.00 0.00 H new ATOM 0 HB2 HIS A 34 96.802 1.996 -7.176 1.00 0.00 H new ATOM 0 HB3 HIS A 34 97.749 2.141 -8.644 1.00 0.00 H new ATOM 0 HD2 HIS A 34 94.675 0.787 -7.732 1.00 0.00 H new ATOM 0 HE1 HIS A 34 95.988 -2.344 -10.184 1.00 0.00 H new ATOM 0 HE2 HIS A 34 93.981 -1.287 -9.031 1.00 0.00 H new ATOM 527 N SER A 35 99.791 2.802 -5.916 1.00 0.00 N ATOM 528 CA SER A 35 100.793 3.843 -5.740 1.00 0.00 C ATOM 529 C SER A 35 102.188 3.218 -5.707 1.00 0.00 C ATOM 530 O SER A 35 103.095 3.650 -6.424 1.00 0.00 O ATOM 531 CB SER A 35 100.519 4.631 -4.454 1.00 0.00 C ATOM 532 OG SER A 35 101.427 5.707 -4.300 1.00 0.00 O ATOM 0 H SER A 35 99.160 2.681 -5.124 1.00 0.00 H new ATOM 0 HA SER A 35 100.742 4.536 -6.580 1.00 0.00 H new ATOM 0 HB2 SER A 35 99.499 5.014 -4.472 1.00 0.00 H new ATOM 0 HB3 SER A 35 100.594 3.964 -3.595 1.00 0.00 H new ATOM 0 HG SER A 35 101.224 6.190 -3.472 1.00 0.00 H new ATOM 538 N ALA A 36 102.341 2.179 -4.891 1.00 0.00 N ATOM 539 CA ALA A 36 103.594 1.442 -4.813 1.00 0.00 C ATOM 540 C ALA A 36 103.930 0.823 -6.164 1.00 0.00 C ATOM 541 O ALA A 36 105.070 0.899 -6.630 1.00 0.00 O ATOM 542 CB ALA A 36 103.506 0.366 -3.739 1.00 0.00 C ATOM 0 H ALA A 36 101.609 1.829 -4.273 1.00 0.00 H new ATOM 0 HA ALA A 36 104.391 2.135 -4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 36 104.449 -0.178 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 36 103.305 0.831 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 36 102.700 -0.326 -3.983 1.00 0.00 H new ATOM 548 N LYS A 37 102.918 0.231 -6.793 1.00 0.00 N ATOM 549 CA LYS A 37 103.063 -0.374 -8.114 1.00 0.00 C ATOM 550 C LYS A 37 103.568 0.648 -9.132 1.00 0.00 C ATOM 551 O LYS A 37 104.494 0.368 -9.889 1.00 0.00 O ATOM 552 CB LYS A 37 101.720 -0.959 -8.568 1.00 0.00 C ATOM 553 CG LYS A 37 101.716 -1.482 -9.999 1.00 0.00 C ATOM 554 CD LYS A 37 100.381 -2.125 -10.348 1.00 0.00 C ATOM 555 CE LYS A 37 100.319 -2.552 -11.808 1.00 0.00 C ATOM 556 NZ LYS A 37 100.178 -1.397 -12.734 1.00 0.00 N ATOM 0 H LYS A 37 101.978 0.157 -6.403 1.00 0.00 H new ATOM 0 HA LYS A 37 103.799 -1.175 -8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.445 -1.772 -7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 37 100.952 -0.192 -8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 37 101.919 -0.663 -10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.517 -2.210 -10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 37 100.218 -2.993 -9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 37 99.575 -1.421 -10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 37 101.223 -3.107 -12.060 1.00 0.00 H new ATOM 0 HE3 LYS A 37 99.478 -3.231 -11.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 100.106 -1.743 -13.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 99.320 -0.861 -12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 101.009 -0.778 -12.646 1.00 0.00 H new ATOM 570 N LEU A 38 102.963 1.833 -9.128 1.00 0.00 N ATOM 571 CA LEU A 38 103.322 2.898 -10.061 1.00 0.00 C ATOM 572 C LEU A 38 104.804 3.244 -9.954 1.00 0.00 C ATOM 573 O LEU A 38 105.483 3.450 -10.962 1.00 0.00 O ATOM 574 CB LEU A 38 102.481 4.147 -9.779 1.00 0.00 C ATOM 575 CG LEU A 38 102.679 5.303 -10.760 1.00 0.00 C ATOM 576 CD1 LEU A 38 102.198 4.912 -12.150 1.00 0.00 C ATOM 577 CD2 LEU A 38 101.956 6.547 -10.266 1.00 0.00 C ATOM 0 H LEU A 38 102.214 2.082 -8.482 1.00 0.00 H new ATOM 0 HA LEU A 38 103.122 2.544 -11.072 1.00 0.00 H new ATOM 0 HB2 LEU A 38 101.428 3.865 -9.783 1.00 0.00 H new ATOM 0 HB3 LEU A 38 102.712 4.501 -8.774 1.00 0.00 H new ATOM 0 HG LEU A 38 103.744 5.529 -10.821 1.00 0.00 H new ATOM 0 HD11 LEU A 38 102.347 5.747 -12.835 1.00 0.00 H new ATOM 0 HD12 LEU A 38 102.764 4.049 -12.502 1.00 0.00 H new ATOM 0 HD13 LEU A 38 101.138 4.659 -12.111 1.00 0.00 H new ATOM 0 HD21 LEU A 38 102.107 7.361 -10.975 1.00 0.00 H new ATOM 0 HD22 LEU A 38 100.890 6.337 -10.176 1.00 0.00 H new ATOM 0 HD23 LEU A 38 102.352 6.836 -9.293 1.00 0.00 H new ATOM 589 N HIS A 39 105.301 3.294 -8.725 1.00 0.00 N ATOM 590 CA HIS A 39 106.699 3.627 -8.475 1.00 0.00 C ATOM 591 C HIS A 39 107.606 2.478 -8.887 1.00 0.00 C ATOM 592 O HIS A 39 108.732 2.693 -9.330 1.00 0.00 O ATOM 593 CB HIS A 39 106.921 3.958 -6.993 1.00 0.00 C ATOM 594 CG HIS A 39 106.285 5.239 -6.531 1.00 0.00 C ATOM 595 ND1 HIS A 39 105.130 5.850 -6.895 1.00 0.00 N flip ATOM 596 CD2 HIS A 39 106.841 6.037 -5.554 1.00 0.00 C flip ATOM 597 CE1 HIS A 39 105.013 6.988 -6.137 1.00 0.00 C flip ATOM 598 NE2 HIS A 39 106.055 7.077 -5.338 1.00 0.00 N flip ATOM 0 H HIS A 39 104.756 3.108 -7.883 1.00 0.00 H new ATOM 0 HA HIS A 39 106.947 4.504 -9.073 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.532 3.138 -6.390 1.00 0.00 H new ATOM 0 HB3 HIS A 39 107.993 4.012 -6.804 1.00 0.00 H new ATOM 0 HD1 HIS A 39 104.470 5.524 -7.601 1.00 0.00 H new ATOM 0 HD2 HIS A 39 107.773 5.843 -5.045 1.00 0.00 H new ATOM 0 HE1 HIS A 39 104.198 7.695 -6.188 1.00 0.00 H new ATOM 607 N MET A 40 107.105 1.260 -8.755 1.00 0.00 N ATOM 608 CA MET A 40 107.890 0.075 -9.075 1.00 0.00 C ATOM 609 C MET A 40 107.966 -0.141 -10.587 1.00 0.00 C ATOM 610 O MET A 40 108.851 -0.836 -11.079 1.00 0.00 O ATOM 611 CB MET A 40 107.300 -1.156 -8.384 1.00 0.00 C ATOM 612 CG MET A 40 108.158 -2.402 -8.525 1.00 0.00 C ATOM 613 SD MET A 40 107.490 -3.809 -7.621 1.00 0.00 S ATOM 614 CE MET A 40 105.865 -3.925 -8.355 1.00 0.00 C ATOM 0 H MET A 40 106.159 1.065 -8.429 1.00 0.00 H new ATOM 0 HA MET A 40 108.904 0.229 -8.707 1.00 0.00 H new ATOM 0 HB2 MET A 40 107.163 -0.937 -7.325 1.00 0.00 H new ATOM 0 HB3 MET A 40 106.312 -1.356 -8.798 1.00 0.00 H new ATOM 0 HG2 MET A 40 108.245 -2.661 -9.580 1.00 0.00 H new ATOM 0 HG3 MET A 40 109.164 -2.188 -8.165 1.00 0.00 H new ATOM 0 HE1 MET A 40 105.408 -4.875 -8.079 1.00 0.00 H new ATOM 0 HE2 MET A 40 105.244 -3.105 -7.995 1.00 0.00 H new ATOM 0 HE3 MET A 40 105.951 -3.866 -9.440 1.00 0.00 H new ATOM 624 N VAL A 41 107.039 0.462 -11.324 1.00 0.00 N ATOM 625 CA VAL A 41 107.065 0.396 -12.783 1.00 0.00 C ATOM 626 C VAL A 41 108.202 1.259 -13.329 1.00 0.00 C ATOM 627 O VAL A 41 108.769 0.972 -14.387 1.00 0.00 O ATOM 628 CB VAL A 41 105.720 0.851 -13.405 1.00 0.00 C ATOM 629 CG1 VAL A 41 105.780 0.833 -14.927 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.583 -0.032 -12.918 1.00 0.00 C ATOM 0 H VAL A 41 106.263 1.000 -10.938 1.00 0.00 H new ATOM 0 HA VAL A 41 107.228 -0.646 -13.060 1.00 0.00 H new ATOM 0 HB VAL A 41 105.536 1.876 -13.084 1.00 0.00 H new ATOM 0 HG11 VAL A 41 104.822 1.157 -15.333 1.00 0.00 H new ATOM 0 HG12 VAL A 41 106.565 1.508 -15.268 1.00 0.00 H new ATOM 0 HG13 VAL A 41 105.996 -0.179 -15.271 1.00 0.00 H new ATOM 0 HG21 VAL A 41 103.646 0.302 -13.365 1.00 0.00 H new ATOM 0 HG22 VAL A 41 104.775 -1.065 -13.207 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.511 0.033 -11.832 1.00 0.00 H new ATOM 640 N ALA A 42 108.543 2.309 -12.590 1.00 0.00 N ATOM 641 CA ALA A 42 109.633 3.195 -12.976 1.00 0.00 C ATOM 642 C ALA A 42 110.981 2.544 -12.691 1.00 0.00 C ATOM 643 O ALA A 42 112.002 2.920 -13.274 1.00 0.00 O ATOM 644 CB ALA A 42 109.518 4.524 -12.247 1.00 0.00 C ATOM 0 H ALA A 42 108.079 2.567 -11.719 1.00 0.00 H new ATOM 0 HA ALA A 42 109.563 3.380 -14.048 1.00 0.00 H new ATOM 0 HB1 ALA A 42 110.339 5.175 -12.546 1.00 0.00 H new ATOM 0 HB2 ALA A 42 108.569 4.997 -12.500 1.00 0.00 H new ATOM 0 HB3 ALA A 42 109.563 4.354 -11.171 1.00 0.00 H new ATOM 650 N MET A 43 110.971 1.571 -11.790 1.00 0.00 N ATOM 651 CA MET A 43 112.178 0.832 -11.428 1.00 0.00 C ATOM 652 C MET A 43 112.687 -0.022 -12.588 1.00 0.00 C ATOM 653 O MET A 43 111.904 -0.625 -13.326 1.00 0.00 O ATOM 654 CB MET A 43 111.917 -0.082 -10.229 1.00 0.00 C ATOM 655 CG MET A 43 111.493 0.644 -8.968 1.00 0.00 C ATOM 656 SD MET A 43 111.141 -0.491 -7.611 1.00 0.00 S ATOM 657 CE MET A 43 110.677 0.658 -6.323 1.00 0.00 C ATOM 0 H MET A 43 110.133 1.271 -11.291 1.00 0.00 H new ATOM 0 HA MET A 43 112.935 1.574 -11.173 1.00 0.00 H new ATOM 0 HB2 MET A 43 111.143 -0.801 -10.497 1.00 0.00 H new ATOM 0 HB3 MET A 43 112.822 -0.652 -10.019 1.00 0.00 H new ATOM 0 HG2 MET A 43 112.281 1.334 -8.666 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.607 1.243 -9.177 1.00 0.00 H new ATOM 0 HE1 MET A 43 109.960 0.184 -5.653 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.563 0.949 -5.759 1.00 0.00 H new ATOM 0 HE3 MET A 43 110.225 1.543 -6.771 1.00 0.00 H new ATOM 667 N ARG A 44 114.003 -0.058 -12.743 1.00 0.00 N ATOM 668 CA ARG A 44 114.654 -0.952 -13.688 1.00 0.00 C ATOM 669 C ARG A 44 115.815 -1.658 -13.000 1.00 0.00 C ATOM 670 O ARG A 44 116.082 -1.424 -11.822 1.00 0.00 O ATOM 671 CB ARG A 44 115.177 -0.190 -14.904 1.00 0.00 C ATOM 672 CG ARG A 44 114.093 0.385 -15.796 1.00 0.00 C ATOM 673 CD ARG A 44 114.682 0.898 -17.101 1.00 0.00 C ATOM 674 NE ARG A 44 115.284 -0.182 -17.889 1.00 0.00 N ATOM 675 CZ ARG A 44 116.594 -0.338 -18.073 1.00 0.00 C ATOM 676 NH1 ARG A 44 117.453 0.515 -17.528 1.00 0.00 N ATOM 677 NH2 ARG A 44 117.049 -1.353 -18.803 1.00 0.00 N ATOM 0 H ARG A 44 114.648 0.532 -12.217 1.00 0.00 H new ATOM 0 HA ARG A 44 113.918 -1.680 -14.030 1.00 0.00 H new ATOM 0 HB2 ARG A 44 115.817 0.623 -14.561 1.00 0.00 H new ATOM 0 HB3 ARG A 44 115.801 -0.859 -15.496 1.00 0.00 H new ATOM 0 HG2 ARG A 44 113.345 -0.379 -16.005 1.00 0.00 H new ATOM 0 HG3 ARG A 44 113.583 1.197 -15.278 1.00 0.00 H new ATOM 0 HD2 ARG A 44 113.901 1.383 -17.686 1.00 0.00 H new ATOM 0 HD3 ARG A 44 115.436 1.655 -16.886 1.00 0.00 H new ATOM 0 HE ARG A 44 114.658 -0.859 -18.325 1.00 0.00 H new ATOM 0 HH11 ARG A 44 117.111 1.294 -16.965 1.00 0.00 H new ATOM 0 HH12 ARG A 44 118.455 0.391 -17.672 1.00 0.00 H new ATOM 0 HH21 ARG A 44 116.394 -2.013 -19.223 1.00 0.00 H new ATOM 0 HH22 ARG A 44 118.052 -1.471 -18.943 1.00 0.00 H new ATOM 691 N ARG A 45 116.508 -2.511 -13.737 1.00 0.00 N ATOM 692 CA ARG A 45 117.658 -3.222 -13.196 1.00 0.00 C ATOM 693 C ARG A 45 118.787 -2.240 -12.891 1.00 0.00 C ATOM 694 O ARG A 45 119.290 -1.558 -13.789 1.00 0.00 O ATOM 695 CB ARG A 45 118.127 -4.281 -14.189 1.00 0.00 C ATOM 696 CG ARG A 45 118.821 -5.464 -13.542 1.00 0.00 C ATOM 697 CD ARG A 45 119.112 -6.558 -14.555 1.00 0.00 C ATOM 698 NE ARG A 45 117.931 -6.921 -15.337 1.00 0.00 N ATOM 699 CZ ARG A 45 117.663 -8.157 -15.750 1.00 0.00 C ATOM 700 NH1 ARG A 45 118.435 -9.169 -15.373 1.00 0.00 N ATOM 701 NH2 ARG A 45 116.615 -8.383 -16.532 1.00 0.00 N ATOM 0 H ARG A 45 116.296 -2.729 -14.711 1.00 0.00 H new ATOM 0 HA ARG A 45 117.368 -3.715 -12.268 1.00 0.00 H new ATOM 0 HB2 ARG A 45 117.268 -4.641 -14.755 1.00 0.00 H new ATOM 0 HB3 ARG A 45 118.808 -3.819 -14.904 1.00 0.00 H new ATOM 0 HG2 ARG A 45 119.753 -5.134 -13.083 1.00 0.00 H new ATOM 0 HG3 ARG A 45 118.195 -5.863 -12.743 1.00 0.00 H new ATOM 0 HD2 ARG A 45 119.902 -6.225 -15.228 1.00 0.00 H new ATOM 0 HD3 ARG A 45 119.486 -7.440 -14.036 1.00 0.00 H new ATOM 0 HE ARG A 45 117.272 -6.181 -15.581 1.00 0.00 H new ATOM 0 HH11 ARG A 45 119.236 -9.000 -14.765 1.00 0.00 H new ATOM 0 HH12 ARG A 45 118.227 -10.115 -15.691 1.00 0.00 H new ATOM 0 HH21 ARG A 45 116.015 -7.609 -16.817 1.00 0.00 H new ATOM 0 HH22 ARG A 45 116.410 -9.331 -16.849 1.00 0.00 H new ATOM 715 N GLY A 46 119.175 -2.155 -11.624 1.00 0.00 N ATOM 716 CA GLY A 46 120.186 -1.198 -11.227 1.00 0.00 C ATOM 717 C GLY A 46 119.629 -0.133 -10.305 1.00 0.00 C ATOM 718 O GLY A 46 120.384 0.587 -9.651 1.00 0.00 O ATOM 0 H GLY A 46 118.807 -2.731 -10.867 1.00 0.00 H new ATOM 0 HA2 GLY A 46 121.002 -1.719 -10.727 1.00 0.00 H new ATOM 0 HA3 GLY A 46 120.606 -0.725 -12.115 1.00 0.00 H new ATOM 722 N ASP A 47 118.304 -0.022 -10.268 1.00 0.00 N ATOM 723 CA ASP A 47 117.639 0.881 -9.335 1.00 0.00 C ATOM 724 C ASP A 47 117.883 0.415 -7.913 1.00 0.00 C ATOM 725 O ASP A 47 117.913 -0.786 -7.646 1.00 0.00 O ATOM 726 CB ASP A 47 116.134 0.946 -9.607 1.00 0.00 C ATOM 727 CG ASP A 47 115.781 1.898 -10.725 1.00 0.00 C ATOM 728 OD1 ASP A 47 116.089 1.601 -11.896 1.00 0.00 O ATOM 729 OD2 ASP A 47 115.213 2.965 -10.436 1.00 0.00 O ATOM 0 H ASP A 47 117.671 -0.546 -10.873 1.00 0.00 H new ATOM 0 HA ASP A 47 118.053 1.880 -9.471 1.00 0.00 H new ATOM 0 HB2 ASP A 47 115.771 -0.051 -9.857 1.00 0.00 H new ATOM 0 HB3 ASP A 47 115.618 1.254 -8.697 1.00 0.00 H new ATOM 734 N ARG A 48 118.062 1.351 -7.003 1.00 0.00 N ATOM 735 CA ARG A 48 118.381 1.003 -5.633 1.00 0.00 C ATOM 736 C ARG A 48 117.411 1.642 -4.662 1.00 0.00 C ATOM 737 O ARG A 48 116.982 2.778 -4.848 1.00 0.00 O ATOM 738 CB ARG A 48 119.817 1.394 -5.297 1.00 0.00 C ATOM 739 CG ARG A 48 120.841 0.550 -6.028 1.00 0.00 C ATOM 740 CD ARG A 48 122.255 0.869 -5.585 1.00 0.00 C ATOM 741 NE ARG A 48 123.215 -0.079 -6.140 1.00 0.00 N ATOM 742 CZ ARG A 48 124.173 -0.665 -5.431 1.00 0.00 C ATOM 743 NH1 ARG A 48 124.318 -0.380 -4.142 1.00 0.00 N ATOM 744 NH2 ARG A 48 124.976 -1.544 -6.012 1.00 0.00 N ATOM 0 H ARG A 48 117.993 2.352 -7.185 1.00 0.00 H new ATOM 0 HA ARG A 48 118.286 -0.078 -5.534 1.00 0.00 H new ATOM 0 HB2 ARG A 48 119.971 2.443 -5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 48 119.973 1.297 -4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 48 120.634 -0.506 -5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 48 120.750 0.717 -7.101 1.00 0.00 H new ATOM 0 HD2 ARG A 48 122.517 1.879 -5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.310 0.849 -4.497 1.00 0.00 H new ATOM 0 HE ARG A 48 123.146 -0.305 -7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 48 123.693 0.290 -3.694 1.00 0.00 H new ATOM 0 HH12 ARG A 48 125.055 -0.831 -3.600 1.00 0.00 H new ATOM 0 HH21 ARG A 48 124.857 -1.768 -7.000 1.00 0.00 H new ATOM 0 HH22 ARG A 48 125.713 -1.997 -5.471 1.00 0.00 H new ATOM 758 N ALA A 49 117.071 0.903 -3.625 1.00 0.00 N ATOM 759 CA ALA A 49 116.113 1.361 -2.643 1.00 0.00 C ATOM 760 C ALA A 49 116.658 1.188 -1.234 1.00 0.00 C ATOM 761 O ALA A 49 117.629 0.458 -1.018 1.00 0.00 O ATOM 762 CB ALA A 49 114.803 0.604 -2.798 1.00 0.00 C ATOM 0 H ALA A 49 117.449 -0.026 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 49 115.931 2.423 -2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 49 114.089 0.957 -2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 49 114.400 0.774 -3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 49 114.980 -0.462 -2.655 1.00 0.00 H new ATOM 768 N PHE A 50 116.024 1.853 -0.283 1.00 0.00 N ATOM 769 CA PHE A 50 116.378 1.702 1.114 1.00 0.00 C ATOM 770 C PHE A 50 115.568 0.578 1.726 1.00 0.00 C ATOM 771 O PHE A 50 114.342 0.554 1.614 1.00 0.00 O ATOM 772 CB PHE A 50 116.098 2.987 1.899 1.00 0.00 C ATOM 773 CG PHE A 50 117.070 4.107 1.655 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.415 3.951 1.950 1.00 0.00 C ATOM 775 CD2 PHE A 50 116.632 5.326 1.164 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.305 4.989 1.757 1.00 0.00 C ATOM 777 CE2 PHE A 50 117.519 6.368 0.965 1.00 0.00 C ATOM 778 CZ PHE A 50 118.857 6.199 1.266 1.00 0.00 C ATOM 0 H PHE A 50 115.259 2.505 -0.456 1.00 0.00 H new ATOM 0 HA PHE A 50 117.444 1.479 1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.096 3.336 1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 50 116.098 2.752 2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 50 118.771 3.007 2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 50 115.586 5.464 0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.351 4.854 1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 50 117.167 7.312 0.575 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.552 7.013 1.117 1.00 0.00 H new ATOM 788 N TYR A 51 116.255 -0.363 2.353 1.00 0.00 N ATOM 789 CA TYR A 51 115.584 -1.444 3.042 1.00 0.00 C ATOM 790 C TYR A 51 115.199 -0.988 4.444 1.00 0.00 C ATOM 791 O TYR A 51 116.008 -1.024 5.379 1.00 0.00 O ATOM 792 CB TYR A 51 116.470 -2.693 3.091 1.00 0.00 C ATOM 793 CG TYR A 51 115.801 -3.886 3.732 1.00 0.00 C ATOM 794 CD1 TYR A 51 114.994 -4.744 2.991 1.00 0.00 C ATOM 795 CD2 TYR A 51 115.984 -4.161 5.077 1.00 0.00 C ATOM 796 CE1 TYR A 51 114.382 -5.833 3.583 1.00 0.00 C ATOM 797 CE2 TYR A 51 115.378 -5.243 5.672 1.00 0.00 C ATOM 798 CZ TYR A 51 114.583 -6.079 4.925 1.00 0.00 C ATOM 799 OH TYR A 51 113.981 -7.154 5.528 1.00 0.00 O ATOM 0 H TYR A 51 117.273 -0.397 2.397 1.00 0.00 H new ATOM 0 HA TYR A 51 114.679 -1.709 2.496 1.00 0.00 H new ATOM 0 HB2 TYR A 51 116.768 -2.956 2.076 1.00 0.00 H new ATOM 0 HB3 TYR A 51 117.382 -2.460 3.641 1.00 0.00 H new ATOM 0 HD1 TYR A 51 114.844 -4.556 1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 51 116.614 -3.514 5.669 1.00 0.00 H new ATOM 0 HE1 TYR A 51 113.751 -6.486 2.999 1.00 0.00 H new ATOM 0 HE2 TYR A 51 115.527 -5.435 6.724 1.00 0.00 H new ATOM 0 HH TYR A 51 113.863 -6.969 6.483 1.00 0.00 H new ATOM 809 N TYR A 52 113.970 -0.524 4.568 1.00 0.00 N ATOM 810 CA TYR A 52 113.466 0.023 5.812 1.00 0.00 C ATOM 811 C TYR A 52 112.565 -0.986 6.512 1.00 0.00 C ATOM 812 O TYR A 52 111.591 -1.469 5.936 1.00 0.00 O ATOM 813 CB TYR A 52 112.709 1.322 5.509 1.00 0.00 C ATOM 814 CG TYR A 52 111.990 1.950 6.684 1.00 0.00 C ATOM 815 CD1 TYR A 52 112.633 2.860 7.512 1.00 0.00 C ATOM 816 CD2 TYR A 52 110.658 1.654 6.945 1.00 0.00 C ATOM 817 CE1 TYR A 52 111.971 3.452 8.572 1.00 0.00 C ATOM 818 CE2 TYR A 52 109.988 2.245 7.998 1.00 0.00 C ATOM 819 CZ TYR A 52 110.647 3.143 8.807 1.00 0.00 C ATOM 820 OH TYR A 52 109.981 3.736 9.854 1.00 0.00 O ATOM 0 H TYR A 52 113.292 -0.516 3.806 1.00 0.00 H new ATOM 0 HA TYR A 52 114.297 0.240 6.484 1.00 0.00 H new ATOM 0 HB2 TYR A 52 113.416 2.048 5.108 1.00 0.00 H new ATOM 0 HB3 TYR A 52 111.979 1.122 4.725 1.00 0.00 H new ATOM 0 HD1 TYR A 52 113.667 3.110 7.325 1.00 0.00 H new ATOM 0 HD2 TYR A 52 110.137 0.949 6.313 1.00 0.00 H new ATOM 0 HE1 TYR A 52 112.487 4.152 9.212 1.00 0.00 H new ATOM 0 HE2 TYR A 52 108.952 2.004 8.186 1.00 0.00 H new ATOM 0 HH TYR A 52 109.057 3.411 9.880 1.00 0.00 H new ATOM 830 N HIS A 53 112.903 -1.313 7.750 1.00 0.00 N ATOM 831 CA HIS A 53 112.081 -2.213 8.543 1.00 0.00 C ATOM 832 C HIS A 53 110.924 -1.460 9.163 1.00 0.00 C ATOM 833 O HIS A 53 111.127 -0.509 9.904 1.00 0.00 O ATOM 834 CB HIS A 53 112.902 -2.906 9.636 1.00 0.00 C ATOM 835 CG HIS A 53 113.474 -4.222 9.199 1.00 0.00 C ATOM 836 ND1 HIS A 53 114.655 -4.741 9.686 1.00 0.00 N ATOM 837 CD2 HIS A 53 112.999 -5.137 8.319 1.00 0.00 C ATOM 838 CE1 HIS A 53 114.877 -5.920 9.126 1.00 0.00 C ATOM 839 NE2 HIS A 53 113.886 -6.182 8.293 1.00 0.00 N ATOM 0 H HIS A 53 113.738 -0.970 8.226 1.00 0.00 H new ATOM 0 HA HIS A 53 111.692 -2.981 7.875 1.00 0.00 H new ATOM 0 HB2 HIS A 53 113.715 -2.248 9.944 1.00 0.00 H new ATOM 0 HB3 HIS A 53 112.271 -3.064 10.511 1.00 0.00 H new ATOM 0 HD1 HIS A 53 115.262 -4.288 10.370 1.00 0.00 H new ATOM 0 HD2 HIS A 53 112.088 -5.057 7.744 1.00 0.00 H new ATOM 0 HE1 HIS A 53 115.726 -6.560 9.318 1.00 0.00 H new ATOM 848 N SER A 54 109.717 -1.878 8.842 1.00 0.00 N ATOM 849 CA SER A 54 108.529 -1.260 9.397 1.00 0.00 C ATOM 850 C SER A 54 108.009 -2.113 10.548 1.00 0.00 C ATOM 851 O SER A 54 108.434 -3.263 10.701 1.00 0.00 O ATOM 852 CB SER A 54 107.462 -1.103 8.308 1.00 0.00 C ATOM 853 OG SER A 54 106.373 -0.314 8.761 1.00 0.00 O ATOM 0 H SER A 54 109.532 -2.646 8.197 1.00 0.00 H new ATOM 0 HA SER A 54 108.774 -0.268 9.777 1.00 0.00 H new ATOM 0 HB2 SER A 54 107.905 -0.642 7.426 1.00 0.00 H new ATOM 0 HB3 SER A 54 107.100 -2.086 8.006 1.00 0.00 H new ATOM 0 HG SER A 54 105.710 -0.230 8.045 1.00 0.00 H new ATOM 859 N ASN A 55 107.114 -1.538 11.360 1.00 0.00 N ATOM 860 CA ASN A 55 106.503 -2.236 12.496 1.00 0.00 C ATOM 861 C ASN A 55 107.517 -2.407 13.619 1.00 0.00 C ATOM 862 O ASN A 55 107.466 -1.703 14.629 1.00 0.00 O ATOM 863 CB ASN A 55 105.949 -3.606 12.075 1.00 0.00 C ATOM 864 CG ASN A 55 105.064 -4.260 13.124 1.00 0.00 C ATOM 865 OD1 ASN A 55 105.149 -3.965 14.318 1.00 0.00 O ATOM 866 ND2 ASN A 55 104.220 -5.176 12.682 1.00 0.00 N ATOM 0 H ASN A 55 106.793 -0.576 11.248 1.00 0.00 H new ATOM 0 HA ASN A 55 105.672 -1.628 12.854 1.00 0.00 H new ATOM 0 HB2 ASN A 55 105.378 -3.489 11.154 1.00 0.00 H new ATOM 0 HB3 ASN A 55 106.783 -4.271 11.851 1.00 0.00 H new ATOM 0 HD21 ASN A 55 103.610 -5.666 13.337 1.00 0.00 H new ATOM 0 HD22 ASN A 55 104.178 -5.393 11.686 1.00 0.00 H new ATOM 873 N GLU A 56 108.447 -3.326 13.422 1.00 0.00 N ATOM 874 CA GLU A 56 109.462 -3.612 14.415 1.00 0.00 C ATOM 875 C GLU A 56 110.813 -3.087 13.952 1.00 0.00 C ATOM 876 O GLU A 56 111.402 -3.595 12.995 1.00 0.00 O ATOM 877 CB GLU A 56 109.528 -5.113 14.685 1.00 0.00 C ATOM 878 CG GLU A 56 108.208 -5.690 15.172 1.00 0.00 C ATOM 879 CD GLU A 56 108.292 -7.167 15.472 1.00 0.00 C ATOM 880 OE1 GLU A 56 108.808 -7.524 16.552 1.00 0.00 O ATOM 881 OE2 GLU A 56 107.841 -7.977 14.634 1.00 0.00 O ATOM 0 H GLU A 56 108.518 -3.890 12.575 1.00 0.00 H new ATOM 0 HA GLU A 56 109.199 -3.108 15.345 1.00 0.00 H new ATOM 0 HB2 GLU A 56 109.828 -5.628 13.772 1.00 0.00 H new ATOM 0 HB3 GLU A 56 110.300 -5.309 15.429 1.00 0.00 H new ATOM 0 HG2 GLU A 56 107.893 -5.159 16.070 1.00 0.00 H new ATOM 0 HG3 GLU A 56 107.441 -5.520 14.416 1.00 0.00 H new ATOM 888 N GLY A 57 111.275 -2.045 14.617 1.00 0.00 N ATOM 889 CA GLY A 57 112.538 -1.434 14.279 1.00 0.00 C ATOM 890 C GLY A 57 112.346 -0.028 13.761 1.00 0.00 C ATOM 891 O GLY A 57 112.826 0.932 14.364 1.00 0.00 O ATOM 0 H GLY A 57 110.788 -1.605 15.398 1.00 0.00 H new ATOM 0 HA2 GLY A 57 113.182 -1.415 15.158 1.00 0.00 H new ATOM 0 HA3 GLY A 57 113.045 -2.036 13.525 1.00 0.00 H new ATOM 895 N LYS A 58 111.606 0.085 12.659 1.00 0.00 N ATOM 896 CA LYS A 58 111.373 1.367 12.001 1.00 0.00 C ATOM 897 C LYS A 58 112.702 2.028 11.672 1.00 0.00 C ATOM 898 O LYS A 58 112.976 3.157 12.082 1.00 0.00 O ATOM 899 CB LYS A 58 110.492 2.272 12.867 1.00 0.00 C ATOM 900 CG LYS A 58 109.102 1.697 13.098 1.00 0.00 C ATOM 901 CD LYS A 58 108.217 2.618 13.925 1.00 0.00 C ATOM 902 CE LYS A 58 108.596 2.601 15.397 1.00 0.00 C ATOM 903 NZ LYS A 58 109.820 3.399 15.682 1.00 0.00 N ATOM 0 H LYS A 58 111.154 -0.706 12.200 1.00 0.00 H new ATOM 0 HA LYS A 58 110.838 1.195 11.067 1.00 0.00 H new ATOM 0 HB2 LYS A 58 110.979 2.432 13.829 1.00 0.00 H new ATOM 0 HB3 LYS A 58 110.402 3.248 12.390 1.00 0.00 H new ATOM 0 HG2 LYS A 58 108.626 1.510 12.136 1.00 0.00 H new ATOM 0 HG3 LYS A 58 109.190 0.735 13.602 1.00 0.00 H new ATOM 0 HD2 LYS A 58 108.295 3.636 13.542 1.00 0.00 H new ATOM 0 HD3 LYS A 58 107.176 2.315 13.815 1.00 0.00 H new ATOM 0 HE2 LYS A 58 107.767 2.992 15.987 1.00 0.00 H new ATOM 0 HE3 LYS A 58 108.756 1.571 15.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 109.702 3.906 16.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 110.641 2.764 15.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 109.973 4.085 14.916 1.00 0.00 H new ATOM 917 N GLU A 59 113.523 1.301 10.926 1.00 0.00 N ATOM 918 CA GLU A 59 114.878 1.728 10.632 1.00 0.00 C ATOM 919 C GLU A 59 115.360 1.171 9.296 1.00 0.00 C ATOM 920 O GLU A 59 114.999 0.057 8.904 1.00 0.00 O ATOM 921 CB GLU A 59 115.814 1.280 11.760 1.00 0.00 C ATOM 922 CG GLU A 59 115.727 -0.207 12.070 1.00 0.00 C ATOM 923 CD GLU A 59 116.491 -0.592 13.319 1.00 0.00 C ATOM 924 OE1 GLU A 59 115.951 -0.418 14.432 1.00 0.00 O ATOM 925 OE2 GLU A 59 117.625 -1.087 13.199 1.00 0.00 O ATOM 0 H GLU A 59 113.268 0.405 10.511 1.00 0.00 H new ATOM 0 HA GLU A 59 114.886 2.816 10.560 1.00 0.00 H new ATOM 0 HB2 GLU A 59 116.840 1.526 11.488 1.00 0.00 H new ATOM 0 HB3 GLU A 59 115.579 1.845 12.662 1.00 0.00 H new ATOM 0 HG2 GLU A 59 114.681 -0.488 12.189 1.00 0.00 H new ATOM 0 HG3 GLU A 59 116.115 -0.773 11.223 1.00 0.00 H new ATOM 932 N ILE A 60 116.154 1.965 8.595 1.00 0.00 N ATOM 933 CA ILE A 60 116.787 1.537 7.360 1.00 0.00 C ATOM 934 C ILE A 60 118.101 0.844 7.688 1.00 0.00 C ATOM 935 O ILE A 60 119.009 1.460 8.249 1.00 0.00 O ATOM 936 CB ILE A 60 117.063 2.732 6.424 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.767 3.495 6.139 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.701 2.254 5.126 1.00 0.00 C ATOM 939 CD1 ILE A 60 115.963 4.746 5.312 1.00 0.00 C ATOM 0 H ILE A 60 116.377 2.923 8.867 1.00 0.00 H new ATOM 0 HA ILE A 60 116.111 0.853 6.848 1.00 0.00 H new ATOM 0 HB ILE A 60 117.759 3.409 6.919 1.00 0.00 H new ATOM 0 HG12 ILE A 60 115.074 2.833 5.620 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.301 3.766 7.086 1.00 0.00 H new ATOM 0 HG21 ILE A 60 117.889 3.109 4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.643 1.752 5.347 1.00 0.00 H new ATOM 0 HG23 ILE A 60 117.028 1.559 4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 60 115.000 5.231 5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.631 5.429 5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.400 4.481 4.349 1.00 0.00 H new ATOM 951 N VAL A 61 118.203 -0.432 7.351 1.00 0.00 N ATOM 952 CA VAL A 61 119.359 -1.219 7.762 1.00 0.00 C ATOM 953 C VAL A 61 120.250 -1.617 6.589 1.00 0.00 C ATOM 954 O VAL A 61 121.375 -2.071 6.791 1.00 0.00 O ATOM 955 CB VAL A 61 118.937 -2.489 8.532 1.00 0.00 C ATOM 956 CG1 VAL A 61 118.222 -2.119 9.822 1.00 0.00 C ATOM 957 CG2 VAL A 61 118.056 -3.382 7.672 1.00 0.00 C ATOM 0 H VAL A 61 117.511 -0.941 6.802 1.00 0.00 H new ATOM 0 HA VAL A 61 119.935 -0.570 8.421 1.00 0.00 H new ATOM 0 HB VAL A 61 119.840 -3.046 8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 61 117.932 -3.027 10.351 1.00 0.00 H new ATOM 0 HG12 VAL A 61 118.889 -1.530 10.451 1.00 0.00 H new ATOM 0 HG13 VAL A 61 117.332 -1.535 9.590 1.00 0.00 H new ATOM 0 HG21 VAL A 61 117.773 -4.269 8.239 1.00 0.00 H new ATOM 0 HG22 VAL A 61 117.158 -2.836 7.381 1.00 0.00 H new ATOM 0 HG23 VAL A 61 118.604 -3.682 6.779 1.00 0.00 H new ATOM 967 N GLY A 62 119.767 -1.447 5.365 1.00 0.00 N ATOM 968 CA GLY A 62 120.557 -1.869 4.227 1.00 0.00 C ATOM 969 C GLY A 62 120.088 -1.294 2.910 1.00 0.00 C ATOM 970 O GLY A 62 119.047 -0.639 2.839 1.00 0.00 O ATOM 0 H GLY A 62 118.862 -1.033 5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.595 -1.579 4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 62 120.536 -2.957 4.166 1.00 0.00 H new ATOM 974 N ILE A 63 120.872 -1.545 1.870 1.00 0.00 N ATOM 975 CA ILE A 63 120.574 -1.075 0.528 1.00 0.00 C ATOM 976 C ILE A 63 120.130 -2.240 -0.354 1.00 0.00 C ATOM 977 O ILE A 63 120.771 -3.294 -0.376 1.00 0.00 O ATOM 978 CB ILE A 63 121.819 -0.407 -0.099 1.00 0.00 C ATOM 979 CG1 ILE A 63 122.290 0.760 0.776 1.00 0.00 C ATOM 980 CG2 ILE A 63 121.524 0.069 -1.516 1.00 0.00 C ATOM 981 CD1 ILE A 63 123.637 1.317 0.375 1.00 0.00 C ATOM 0 H ILE A 63 121.736 -2.083 1.936 1.00 0.00 H new ATOM 0 HA ILE A 63 119.769 -0.343 0.594 1.00 0.00 H new ATOM 0 HB ILE A 63 122.617 -1.147 -0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 63 121.549 1.558 0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 63 122.338 0.428 1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 63 122.415 0.536 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 63 121.235 -0.782 -2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 63 120.711 0.794 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 63 123.903 2.139 1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 63 124.391 0.533 0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 63 123.589 1.681 -0.651 1.00 0.00 H new ATOM 993 N ALA A 64 119.034 -2.055 -1.074 1.00 0.00 N ATOM 994 CA ALA A 64 118.534 -3.083 -1.972 1.00 0.00 C ATOM 995 C ALA A 64 118.639 -2.625 -3.421 1.00 0.00 C ATOM 996 O ALA A 64 118.559 -1.431 -3.707 1.00 0.00 O ATOM 997 CB ALA A 64 117.095 -3.440 -1.628 1.00 0.00 C ATOM 0 H ALA A 64 118.474 -1.202 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 64 119.148 -3.975 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 64 116.738 -4.211 -2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 64 117.047 -3.811 -0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.468 -2.554 -1.722 1.00 0.00 H new ATOM 1003 N GLU A 65 118.824 -3.573 -4.326 1.00 0.00 N ATOM 1004 CA GLU A 65 118.965 -3.263 -5.745 1.00 0.00 C ATOM 1005 C GLU A 65 117.990 -4.099 -6.568 1.00 0.00 C ATOM 1006 O GLU A 65 117.728 -5.258 -6.240 1.00 0.00 O ATOM 1007 CB GLU A 65 120.401 -3.540 -6.198 1.00 0.00 C ATOM 1008 CG GLU A 65 120.733 -3.039 -7.596 1.00 0.00 C ATOM 1009 CD GLU A 65 122.123 -3.459 -8.033 1.00 0.00 C ATOM 1010 OE1 GLU A 65 123.090 -2.720 -7.749 1.00 0.00 O ATOM 1011 OE2 GLU A 65 122.254 -4.541 -8.642 1.00 0.00 O ATOM 0 H GLU A 65 118.881 -4.567 -4.105 1.00 0.00 H new ATOM 0 HA GLU A 65 118.738 -2.208 -5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 65 121.087 -3.078 -5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.579 -4.615 -6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 65 119.998 -3.424 -8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 65 120.658 -1.952 -7.619 1.00 0.00 H new ATOM 1018 N ILE A 66 117.451 -3.504 -7.622 1.00 0.00 N ATOM 1019 CA ILE A 66 116.551 -4.204 -8.527 1.00 0.00 C ATOM 1020 C ILE A 66 117.365 -5.019 -9.526 1.00 0.00 C ATOM 1021 O ILE A 66 118.240 -4.478 -10.206 1.00 0.00 O ATOM 1022 CB ILE A 66 115.649 -3.221 -9.307 1.00 0.00 C ATOM 1023 CG1 ILE A 66 115.017 -2.182 -8.373 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.569 -3.979 -10.067 1.00 0.00 C ATOM 1025 CD1 ILE A 66 114.128 -2.761 -7.296 1.00 0.00 C ATOM 0 H ILE A 66 117.623 -2.530 -7.873 1.00 0.00 H new ATOM 0 HA ILE A 66 115.916 -4.855 -7.926 1.00 0.00 H new ATOM 0 HB ILE A 66 116.276 -2.689 -10.023 1.00 0.00 H new ATOM 0 HG12 ILE A 66 115.813 -1.608 -7.899 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.432 -1.483 -8.971 1.00 0.00 H new ATOM 0 HG21 ILE A 66 113.943 -3.272 -10.611 1.00 0.00 H new ATOM 0 HG22 ILE A 66 115.035 -4.668 -10.772 1.00 0.00 H new ATOM 0 HG23 ILE A 66 113.955 -4.541 -9.363 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.725 -1.954 -6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.308 -3.310 -7.758 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.709 -3.437 -6.669 1.00 0.00 H new ATOM 1037 N ILE A 67 117.092 -6.315 -9.613 1.00 0.00 N ATOM 1038 CA ILE A 67 117.855 -7.190 -10.499 1.00 0.00 C ATOM 1039 C ILE A 67 116.991 -7.829 -11.585 1.00 0.00 C ATOM 1040 O ILE A 67 117.447 -8.723 -12.297 1.00 0.00 O ATOM 1041 CB ILE A 67 118.597 -8.292 -9.718 1.00 0.00 C ATOM 1042 CG1 ILE A 67 117.665 -8.971 -8.711 1.00 0.00 C ATOM 1043 CG2 ILE A 67 119.815 -7.708 -9.019 1.00 0.00 C ATOM 1044 CD1 ILE A 67 118.322 -10.089 -7.933 1.00 0.00 C ATOM 0 H ILE A 67 116.354 -6.782 -9.086 1.00 0.00 H new ATOM 0 HA ILE A 67 118.587 -6.545 -10.985 1.00 0.00 H new ATOM 0 HB ILE A 67 118.932 -9.051 -10.425 1.00 0.00 H new ATOM 0 HG12 ILE A 67 117.294 -8.223 -8.011 1.00 0.00 H new ATOM 0 HG13 ILE A 67 116.800 -9.369 -9.241 1.00 0.00 H new ATOM 0 HG21 ILE A 67 120.332 -8.495 -8.470 1.00 0.00 H new ATOM 0 HG22 ILE A 67 120.489 -7.280 -9.760 1.00 0.00 H new ATOM 0 HG23 ILE A 67 119.498 -6.930 -8.325 1.00 0.00 H new ATOM 0 HD11 ILE A 67 117.601 -10.522 -7.240 1.00 0.00 H new ATOM 0 HD12 ILE A 67 118.669 -10.858 -8.623 1.00 0.00 H new ATOM 0 HD13 ILE A 67 119.170 -9.694 -7.374 1.00 0.00 H new ATOM 1056 N ARG A 68 115.756 -7.367 -11.719 1.00 0.00 N ATOM 1057 CA ARG A 68 114.907 -7.787 -12.828 1.00 0.00 C ATOM 1058 C ARG A 68 113.903 -6.692 -13.143 1.00 0.00 C ATOM 1059 O ARG A 68 113.395 -6.035 -12.234 1.00 0.00 O ATOM 1060 CB ARG A 68 114.167 -9.093 -12.521 1.00 0.00 C ATOM 1061 CG ARG A 68 113.869 -9.912 -13.772 1.00 0.00 C ATOM 1062 CD ARG A 68 112.854 -11.023 -13.526 1.00 0.00 C ATOM 1063 NE ARG A 68 113.105 -11.758 -12.290 1.00 0.00 N ATOM 1064 CZ ARG A 68 113.503 -13.026 -12.227 1.00 0.00 C ATOM 1065 NH1 ARG A 68 113.746 -13.715 -13.335 1.00 0.00 N ATOM 1066 NH2 ARG A 68 113.661 -13.602 -11.047 1.00 0.00 N ATOM 0 H ARG A 68 115.320 -6.704 -11.078 1.00 0.00 H new ATOM 0 HA ARG A 68 115.550 -7.966 -13.690 1.00 0.00 H new ATOM 0 HB2 ARG A 68 114.766 -9.692 -11.835 1.00 0.00 H new ATOM 0 HB3 ARG A 68 113.231 -8.864 -12.011 1.00 0.00 H new ATOM 0 HG2 ARG A 68 113.494 -9.250 -14.553 1.00 0.00 H new ATOM 0 HG3 ARG A 68 114.796 -10.349 -14.143 1.00 0.00 H new ATOM 0 HD2 ARG A 68 111.853 -10.593 -13.490 1.00 0.00 H new ATOM 0 HD3 ARG A 68 112.872 -11.717 -14.366 1.00 0.00 H new ATOM 0 HE ARG A 68 112.965 -11.263 -11.409 1.00 0.00 H new ATOM 0 HH11 ARG A 68 113.628 -13.273 -14.247 1.00 0.00 H new ATOM 0 HH12 ARG A 68 114.051 -14.687 -13.275 1.00 0.00 H new ATOM 0 HH21 ARG A 68 113.478 -13.074 -10.193 1.00 0.00 H new ATOM 0 HH22 ARG A 68 113.966 -14.574 -10.991 1.00 0.00 H new ATOM 1080 N GLU A 69 113.643 -6.488 -14.427 1.00 0.00 N ATOM 1081 CA GLU A 69 112.692 -5.469 -14.873 1.00 0.00 C ATOM 1082 C GLU A 69 111.291 -5.762 -14.336 1.00 0.00 C ATOM 1083 O GLU A 69 110.984 -6.898 -13.970 1.00 0.00 O ATOM 1084 CB GLU A 69 112.634 -5.412 -16.402 1.00 0.00 C ATOM 1085 CG GLU A 69 113.982 -5.566 -17.091 1.00 0.00 C ATOM 1086 CD GLU A 69 115.056 -4.669 -16.520 1.00 0.00 C ATOM 1087 OE1 GLU A 69 114.827 -3.449 -16.406 1.00 0.00 O ATOM 1088 OE2 GLU A 69 116.143 -5.191 -16.202 1.00 0.00 O ATOM 0 H GLU A 69 114.078 -7.015 -15.184 1.00 0.00 H new ATOM 0 HA GLU A 69 113.035 -4.509 -14.487 1.00 0.00 H new ATOM 0 HB2 GLU A 69 111.967 -6.197 -16.757 1.00 0.00 H new ATOM 0 HB3 GLU A 69 112.194 -4.461 -16.701 1.00 0.00 H new ATOM 0 HG2 GLU A 69 114.306 -6.604 -17.011 1.00 0.00 H new ATOM 0 HG3 GLU A 69 113.865 -5.350 -18.153 1.00 0.00 H new ATOM 1095 N ALA A 70 110.447 -4.736 -14.304 1.00 0.00 N ATOM 1096 CA ALA A 70 109.073 -4.889 -13.847 1.00 0.00 C ATOM 1097 C ALA A 70 108.270 -5.745 -14.820 1.00 0.00 C ATOM 1098 O ALA A 70 107.901 -5.292 -15.903 1.00 0.00 O ATOM 1099 CB ALA A 70 108.419 -3.525 -13.674 1.00 0.00 C ATOM 0 H ALA A 70 110.692 -3.788 -14.590 1.00 0.00 H new ATOM 0 HA ALA A 70 109.088 -5.395 -12.882 1.00 0.00 H new ATOM 0 HB1 ALA A 70 107.392 -3.655 -13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 70 108.976 -2.945 -12.938 1.00 0.00 H new ATOM 0 HB3 ALA A 70 108.420 -2.997 -14.628 1.00 0.00 H new ATOM 1105 N TYR A 71 108.018 -6.984 -14.433 1.00 0.00 N ATOM 1106 CA TYR A 71 107.268 -7.910 -15.271 1.00 0.00 C ATOM 1107 C TYR A 71 105.966 -8.299 -14.577 1.00 0.00 C ATOM 1108 O TYR A 71 105.857 -8.169 -13.358 1.00 0.00 O ATOM 1109 CB TYR A 71 108.111 -9.156 -15.587 1.00 0.00 C ATOM 1110 CG TYR A 71 108.428 -10.030 -14.388 1.00 0.00 C ATOM 1111 CD1 TYR A 71 109.423 -9.678 -13.486 1.00 0.00 C ATOM 1112 CD2 TYR A 71 107.737 -11.217 -14.172 1.00 0.00 C ATOM 1113 CE1 TYR A 71 109.722 -10.483 -12.404 1.00 0.00 C ATOM 1114 CE2 TYR A 71 108.028 -12.025 -13.090 1.00 0.00 C ATOM 1115 CZ TYR A 71 109.023 -11.653 -12.212 1.00 0.00 C ATOM 1116 OH TYR A 71 109.323 -12.459 -11.139 1.00 0.00 O ATOM 0 H TYR A 71 108.322 -7.375 -13.541 1.00 0.00 H new ATOM 0 HA TYR A 71 107.028 -7.418 -16.214 1.00 0.00 H new ATOM 0 HB2 TYR A 71 107.583 -9.757 -16.327 1.00 0.00 H new ATOM 0 HB3 TYR A 71 109.048 -8.837 -16.045 1.00 0.00 H new ATOM 0 HD1 TYR A 71 109.972 -8.760 -13.633 1.00 0.00 H new ATOM 0 HD2 TYR A 71 106.960 -11.512 -14.862 1.00 0.00 H new ATOM 0 HE1 TYR A 71 110.500 -10.196 -11.712 1.00 0.00 H new ATOM 0 HE2 TYR A 71 107.479 -12.942 -12.933 1.00 0.00 H new ATOM 0 HH TYR A 71 108.738 -13.245 -11.147 1.00 0.00 H new ATOM 1126 N PRO A 72 104.961 -8.762 -15.346 1.00 0.00 N ATOM 1127 CA PRO A 72 103.651 -9.147 -14.802 1.00 0.00 C ATOM 1128 C PRO A 72 103.756 -10.076 -13.596 1.00 0.00 C ATOM 1129 O PRO A 72 104.463 -11.088 -13.635 1.00 0.00 O ATOM 1130 CB PRO A 72 102.979 -9.868 -15.970 1.00 0.00 C ATOM 1131 CG PRO A 72 103.605 -9.285 -17.187 1.00 0.00 C ATOM 1132 CD PRO A 72 105.021 -8.945 -16.809 1.00 0.00 C ATOM 0 HA PRO A 72 103.100 -8.280 -14.438 1.00 0.00 H new ATOM 0 HB2 PRO A 72 103.143 -10.944 -15.918 1.00 0.00 H new ATOM 0 HB3 PRO A 72 101.901 -9.709 -15.965 1.00 0.00 H new ATOM 0 HG2 PRO A 72 103.583 -9.995 -18.014 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.065 -8.396 -17.515 1.00 0.00 H new ATOM 0 HD2 PRO A 72 105.711 -9.743 -17.084 1.00 0.00 H new ATOM 0 HD3 PRO A 72 105.363 -8.040 -17.312 1.00 0.00 H new ATOM 1140 N ASP A 73 103.051 -9.713 -12.530 1.00 0.00 N ATOM 1141 CA ASP A 73 103.033 -10.497 -11.298 1.00 0.00 C ATOM 1142 C ASP A 73 102.485 -11.893 -11.581 1.00 0.00 C ATOM 1143 O ASP A 73 101.401 -12.032 -12.150 1.00 0.00 O ATOM 1144 CB ASP A 73 102.168 -9.797 -10.237 1.00 0.00 C ATOM 1145 CG ASP A 73 102.281 -10.423 -8.853 1.00 0.00 C ATOM 1146 OD1 ASP A 73 102.083 -11.648 -8.725 1.00 0.00 O ATOM 1147 OD2 ASP A 73 102.565 -9.687 -7.885 1.00 0.00 O ATOM 0 H ASP A 73 102.477 -8.870 -12.494 1.00 0.00 H new ATOM 0 HA ASP A 73 104.051 -10.584 -10.918 1.00 0.00 H new ATOM 0 HB2 ASP A 73 102.458 -8.748 -10.178 1.00 0.00 H new ATOM 0 HB3 ASP A 73 101.126 -9.822 -10.555 1.00 0.00 H new ATOM 1152 N PRO A 74 103.228 -12.942 -11.193 1.00 0.00 N ATOM 1153 CA PRO A 74 102.831 -14.337 -11.432 1.00 0.00 C ATOM 1154 C PRO A 74 101.515 -14.713 -10.747 1.00 0.00 C ATOM 1155 O PRO A 74 100.933 -15.762 -11.036 1.00 0.00 O ATOM 1156 CB PRO A 74 103.991 -15.153 -10.847 1.00 0.00 C ATOM 1157 CG PRO A 74 104.688 -14.226 -9.913 1.00 0.00 C ATOM 1158 CD PRO A 74 104.523 -12.854 -10.499 1.00 0.00 C ATOM 0 HA PRO A 74 102.653 -14.520 -12.492 1.00 0.00 H new ATOM 0 HB2 PRO A 74 103.626 -16.038 -10.325 1.00 0.00 H new ATOM 0 HB3 PRO A 74 104.663 -15.501 -11.632 1.00 0.00 H new ATOM 0 HG2 PRO A 74 104.255 -14.279 -8.914 1.00 0.00 H new ATOM 0 HG3 PRO A 74 105.742 -14.486 -9.818 1.00 0.00 H new ATOM 0 HD2 PRO A 74 104.516 -12.084 -9.727 1.00 0.00 H new ATOM 0 HD3 PRO A 74 105.333 -12.609 -11.186 1.00 0.00 H new ATOM 1242 N PHE A 81 98.955 -6.703 -12.766 1.00 0.00 N ATOM 1243 CA PHE A 81 99.927 -6.302 -11.764 1.00 0.00 C ATOM 1244 C PHE A 81 101.330 -6.644 -12.242 1.00 0.00 C ATOM 1245 O PHE A 81 101.506 -7.497 -13.111 1.00 0.00 O ATOM 1246 CB PHE A 81 99.637 -6.984 -10.424 1.00 0.00 C ATOM 1247 CG PHE A 81 98.309 -6.598 -9.834 1.00 0.00 C ATOM 1248 CD1 PHE A 81 98.174 -5.417 -9.121 1.00 0.00 C ATOM 1249 CD2 PHE A 81 97.199 -7.412 -9.994 1.00 0.00 C ATOM 1250 CE1 PHE A 81 96.955 -5.054 -8.581 1.00 0.00 C ATOM 1251 CE2 PHE A 81 95.978 -7.053 -9.457 1.00 0.00 C ATOM 1252 CZ PHE A 81 95.857 -5.876 -8.748 1.00 0.00 C ATOM 0 HA PHE A 81 99.854 -5.224 -11.617 1.00 0.00 H new ATOM 0 HB2 PHE A 81 99.665 -8.065 -10.561 1.00 0.00 H new ATOM 0 HB3 PHE A 81 100.428 -6.732 -9.717 1.00 0.00 H new ATOM 0 HD1 PHE A 81 99.031 -4.774 -8.986 1.00 0.00 H new ATOM 0 HD2 PHE A 81 97.290 -8.337 -10.544 1.00 0.00 H new ATOM 0 HE1 PHE A 81 96.861 -4.130 -8.030 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.119 -7.693 -9.592 1.00 0.00 H new ATOM 0 HZ PHE A 81 94.904 -5.597 -8.323 1.00 0.00 H new ATOM 1262 N VAL A 82 102.325 -5.972 -11.682 1.00 0.00 N ATOM 1263 CA VAL A 82 103.712 -6.195 -12.063 1.00 0.00 C ATOM 1264 C VAL A 82 104.573 -6.372 -10.821 1.00 0.00 C ATOM 1265 O VAL A 82 104.123 -6.092 -9.712 1.00 0.00 O ATOM 1266 CB VAL A 82 104.276 -5.035 -12.915 1.00 0.00 C ATOM 1267 CG1 VAL A 82 103.563 -4.951 -14.257 1.00 0.00 C ATOM 1268 CG2 VAL A 82 104.169 -3.713 -12.168 1.00 0.00 C ATOM 0 H VAL A 82 102.197 -5.264 -10.959 1.00 0.00 H new ATOM 0 HA VAL A 82 103.738 -7.101 -12.669 1.00 0.00 H new ATOM 0 HB VAL A 82 105.331 -5.237 -13.102 1.00 0.00 H new ATOM 0 HG11 VAL A 82 103.977 -4.127 -14.838 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.701 -5.885 -14.802 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.499 -4.780 -14.094 1.00 0.00 H new ATOM 0 HG21 VAL A 82 104.572 -2.912 -12.787 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.123 -3.506 -11.942 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.735 -3.773 -11.239 1.00 0.00 H new ATOM 1278 N CYS A 83 105.800 -6.834 -11.012 1.00 0.00 N ATOM 1279 CA CYS A 83 106.711 -7.072 -9.905 1.00 0.00 C ATOM 1280 C CYS A 83 108.161 -6.978 -10.371 1.00 0.00 C ATOM 1281 O CYS A 83 108.456 -7.196 -11.549 1.00 0.00 O ATOM 1282 CB CYS A 83 106.438 -8.452 -9.307 1.00 0.00 C ATOM 1283 SG CYS A 83 106.429 -9.787 -10.526 1.00 0.00 S ATOM 0 H CYS A 83 106.188 -7.052 -11.930 1.00 0.00 H new ATOM 0 HA CYS A 83 106.548 -6.309 -9.144 1.00 0.00 H new ATOM 0 HB2 CYS A 83 107.195 -8.667 -8.552 1.00 0.00 H new ATOM 0 HB3 CYS A 83 105.475 -8.432 -8.796 1.00 0.00 H new ATOM 0 HG CYS A 83 106.209 -9.293 -11.708 1.00 0.00 H new ATOM 1289 N VAL A 84 109.054 -6.629 -9.453 1.00 0.00 N ATOM 1290 CA VAL A 84 110.484 -6.597 -9.739 1.00 0.00 C ATOM 1291 C VAL A 84 111.233 -7.489 -8.757 1.00 0.00 C ATOM 1292 O VAL A 84 110.692 -7.863 -7.717 1.00 0.00 O ATOM 1293 CB VAL A 84 111.069 -5.169 -9.653 1.00 0.00 C ATOM 1294 CG1 VAL A 84 110.414 -4.248 -10.668 1.00 0.00 C ATOM 1295 CG2 VAL A 84 110.923 -4.609 -8.245 1.00 0.00 C ATOM 0 H VAL A 84 108.812 -6.363 -8.499 1.00 0.00 H new ATOM 0 HA VAL A 84 110.610 -6.958 -10.760 1.00 0.00 H new ATOM 0 HB VAL A 84 112.132 -5.228 -9.889 1.00 0.00 H new ATOM 0 HG11 VAL A 84 110.845 -3.250 -10.585 1.00 0.00 H new ATOM 0 HG12 VAL A 84 110.584 -4.634 -11.673 1.00 0.00 H new ATOM 0 HG13 VAL A 84 109.342 -4.198 -10.475 1.00 0.00 H new ATOM 0 HG21 VAL A 84 111.342 -3.603 -8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 84 109.867 -4.573 -7.975 1.00 0.00 H new ATOM 0 HG23 VAL A 84 111.455 -5.249 -7.542 1.00 0.00 H new ATOM 1305 N ASP A 85 112.468 -7.825 -9.083 1.00 0.00 N ATOM 1306 CA ASP A 85 113.298 -8.629 -8.191 1.00 0.00 C ATOM 1307 C ASP A 85 114.247 -7.745 -7.410 1.00 0.00 C ATOM 1308 O ASP A 85 114.978 -6.941 -7.991 1.00 0.00 O ATOM 1309 CB ASP A 85 114.102 -9.670 -8.968 1.00 0.00 C ATOM 1310 CG ASP A 85 113.296 -10.903 -9.304 1.00 0.00 C ATOM 1311 OD1 ASP A 85 112.270 -10.776 -9.999 1.00 0.00 O ATOM 1312 OD2 ASP A 85 113.703 -12.011 -8.896 1.00 0.00 O ATOM 0 H ASP A 85 112.922 -7.556 -9.956 1.00 0.00 H new ATOM 0 HA ASP A 85 112.631 -9.146 -7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 85 114.473 -9.222 -9.890 1.00 0.00 H new ATOM 0 HB3 ASP A 85 114.974 -9.960 -8.382 1.00 0.00 H new ATOM 1317 N ILE A 86 114.237 -7.898 -6.098 1.00 0.00 N ATOM 1318 CA ILE A 86 115.113 -7.127 -5.231 1.00 0.00 C ATOM 1319 C ILE A 86 116.185 -8.019 -4.618 1.00 0.00 C ATOM 1320 O ILE A 86 115.971 -9.216 -4.412 1.00 0.00 O ATOM 1321 CB ILE A 86 114.331 -6.426 -4.096 1.00 0.00 C ATOM 1322 CG1 ILE A 86 113.572 -7.455 -3.249 1.00 0.00 C ATOM 1323 CG2 ILE A 86 113.373 -5.395 -4.672 1.00 0.00 C ATOM 1324 CD1 ILE A 86 112.881 -6.859 -2.040 1.00 0.00 C ATOM 0 H ILE A 86 113.629 -8.553 -5.606 1.00 0.00 H new ATOM 0 HA ILE A 86 115.579 -6.363 -5.853 1.00 0.00 H new ATOM 0 HB ILE A 86 115.044 -5.912 -3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 86 112.828 -7.949 -3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 86 114.270 -8.223 -2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 86 112.830 -4.910 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 86 113.936 -4.647 -5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 86 112.666 -5.888 -5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 86 112.366 -7.647 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 86 113.621 -6.389 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 86 112.158 -6.111 -2.366 1.00 0.00 H new ATOM 1336 N LYS A 87 117.339 -7.435 -4.343 1.00 0.00 N ATOM 1337 CA LYS A 87 118.423 -8.148 -3.688 1.00 0.00 C ATOM 1338 C LYS A 87 119.033 -7.270 -2.605 1.00 0.00 C ATOM 1339 O LYS A 87 118.818 -6.059 -2.592 1.00 0.00 O ATOM 1340 CB LYS A 87 119.515 -8.529 -4.692 1.00 0.00 C ATOM 1341 CG LYS A 87 120.350 -7.341 -5.146 1.00 0.00 C ATOM 1342 CD LYS A 87 121.564 -7.767 -5.951 1.00 0.00 C ATOM 1343 CE LYS A 87 122.459 -6.574 -6.241 1.00 0.00 C ATOM 1344 NZ LYS A 87 123.560 -6.897 -7.187 1.00 0.00 N ATOM 0 H LYS A 87 117.550 -6.462 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 87 118.014 -9.058 -3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 87 120.170 -9.275 -4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 87 119.053 -8.995 -5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 87 119.733 -6.674 -5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 87 120.675 -6.773 -4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 87 122.124 -8.524 -5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 87 121.244 -8.225 -6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 87 121.856 -5.765 -6.654 1.00 0.00 H new ATOM 0 HE3 LYS A 87 122.884 -6.209 -5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 124.475 -6.790 -6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 123.456 -7.877 -7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 123.520 -6.250 -8.000 1.00 0.00 H new ATOM 1358 N ALA A 88 119.798 -7.877 -1.715 1.00 0.00 N ATOM 1359 CA ALA A 88 120.535 -7.129 -0.708 1.00 0.00 C ATOM 1360 C ALA A 88 121.943 -6.834 -1.209 1.00 0.00 C ATOM 1361 O ALA A 88 122.717 -7.752 -1.480 1.00 0.00 O ATOM 1362 CB ALA A 88 120.589 -7.900 0.604 1.00 0.00 C ATOM 0 H ALA A 88 119.926 -8.888 -1.668 1.00 0.00 H new ATOM 0 HA ALA A 88 120.018 -6.187 -0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 88 121.145 -7.322 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.576 -8.073 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 88 121.085 -8.857 0.443 1.00 0.00 H new ATOM 1368 N ASP A 89 122.258 -5.555 -1.351 1.00 0.00 N ATOM 1369 CA ASP A 89 123.573 -5.144 -1.833 1.00 0.00 C ATOM 1370 C ASP A 89 124.566 -5.127 -0.677 1.00 0.00 C ATOM 1371 O ASP A 89 125.433 -5.994 -0.571 1.00 0.00 O ATOM 1372 CB ASP A 89 123.490 -3.764 -2.496 1.00 0.00 C ATOM 1373 CG ASP A 89 124.804 -3.321 -3.112 1.00 0.00 C ATOM 1374 OD1 ASP A 89 125.225 -3.922 -4.122 1.00 0.00 O ATOM 1375 OD2 ASP A 89 125.406 -2.340 -2.618 1.00 0.00 O ATOM 0 H ASP A 89 121.624 -4.784 -1.141 1.00 0.00 H new ATOM 0 HA ASP A 89 123.918 -5.860 -2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.722 -3.784 -3.269 1.00 0.00 H new ATOM 0 HB3 ASP A 89 123.177 -3.029 -1.754 1.00 0.00 H new ATOM 1380 N LYS A 90 124.420 -4.137 0.190 1.00 0.00 N ATOM 1381 CA LYS A 90 125.193 -4.067 1.422 1.00 0.00 C ATOM 1382 C LYS A 90 124.414 -3.292 2.477 1.00 0.00 C ATOM 1383 O LYS A 90 123.591 -2.439 2.141 1.00 0.00 O ATOM 1384 CB LYS A 90 126.575 -3.438 1.190 1.00 0.00 C ATOM 1385 CG LYS A 90 126.567 -2.193 0.323 1.00 0.00 C ATOM 1386 CD LYS A 90 127.969 -1.624 0.179 1.00 0.00 C ATOM 1387 CE LYS A 90 128.147 -0.911 -1.151 1.00 0.00 C ATOM 1388 NZ LYS A 90 127.957 -1.843 -2.294 1.00 0.00 N ATOM 0 H LYS A 90 123.767 -3.364 0.062 1.00 0.00 H new ATOM 0 HA LYS A 90 125.360 -5.084 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 90 127.012 -3.188 2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 90 127.225 -4.182 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 90 126.165 -2.433 -0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 90 125.909 -1.443 0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 90 128.166 -0.929 0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 90 128.700 -2.429 0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 90 127.432 -0.091 -1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 90 129.143 -0.471 -1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 128.540 -1.531 -3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 128.242 -2.802 -2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 126.956 -1.848 -2.575 1.00 0.00 H new ATOM 1402 N PRO A 91 124.638 -3.600 3.761 1.00 0.00 N ATOM 1403 CA PRO A 91 123.946 -2.932 4.856 1.00 0.00 C ATOM 1404 C PRO A 91 124.610 -1.623 5.262 1.00 0.00 C ATOM 1405 O PRO A 91 125.690 -1.279 4.776 1.00 0.00 O ATOM 1406 CB PRO A 91 124.045 -3.956 5.983 1.00 0.00 C ATOM 1407 CG PRO A 91 125.335 -4.664 5.740 1.00 0.00 C ATOM 1408 CD PRO A 91 125.576 -4.631 4.250 1.00 0.00 C ATOM 0 HA PRO A 91 122.927 -2.650 4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 91 124.037 -3.472 6.960 1.00 0.00 H new ATOM 0 HB3 PRO A 91 123.204 -4.649 5.964 1.00 0.00 H new ATOM 0 HG2 PRO A 91 126.150 -4.176 6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 91 125.286 -5.691 6.101 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.609 -4.373 4.018 1.00 0.00 H new ATOM 0 HD3 PRO A 91 125.379 -5.600 3.792 1.00 0.00 H new ATOM 1416 N LEU A 92 123.952 -0.898 6.152 1.00 0.00 N ATOM 1417 CA LEU A 92 124.500 0.333 6.694 1.00 0.00 C ATOM 1418 C LEU A 92 125.225 0.033 7.998 1.00 0.00 C ATOM 1419 O LEU A 92 124.885 -0.922 8.694 1.00 0.00 O ATOM 1420 CB LEU A 92 123.386 1.360 6.932 1.00 0.00 C ATOM 1421 CG LEU A 92 122.615 1.788 5.681 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.490 2.743 6.050 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.549 2.435 4.666 1.00 0.00 C ATOM 0 H LEU A 92 123.031 -1.144 6.516 1.00 0.00 H new ATOM 0 HA LEU A 92 125.204 0.754 5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.679 0.945 7.651 1.00 0.00 H new ATOM 0 HB3 LEU A 92 123.823 2.247 7.391 1.00 0.00 H new ATOM 0 HG LEU A 92 122.180 0.897 5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 92 120.952 3.037 5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 92 120.803 2.248 6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 92 121.907 3.629 6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 92 122.980 2.731 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 92 124.015 3.315 5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 92 124.321 1.722 4.376 1.00 0.00 H new ATOM 1435 N LYS A 93 126.225 0.842 8.323 1.00 0.00 N ATOM 1436 CA LYS A 93 126.994 0.634 9.541 1.00 0.00 C ATOM 1437 C LYS A 93 126.160 1.028 10.756 1.00 0.00 C ATOM 1438 O LYS A 93 126.223 0.389 11.808 1.00 0.00 O ATOM 1439 CB LYS A 93 128.294 1.438 9.496 1.00 0.00 C ATOM 1440 CG LYS A 93 129.239 1.135 10.649 1.00 0.00 C ATOM 1441 CD LYS A 93 130.531 1.924 10.530 1.00 0.00 C ATOM 1442 CE LYS A 93 131.507 1.578 11.645 1.00 0.00 C ATOM 1443 NZ LYS A 93 131.963 0.165 11.576 1.00 0.00 N ATOM 0 H LYS A 93 126.520 1.643 7.764 1.00 0.00 H new ATOM 0 HA LYS A 93 127.250 -0.422 9.621 1.00 0.00 H new ATOM 0 HB2 LYS A 93 128.805 1.234 8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 93 128.054 2.501 9.504 1.00 0.00 H new ATOM 0 HG2 LYS A 93 128.751 1.374 11.594 1.00 0.00 H new ATOM 0 HG3 LYS A 93 129.463 0.068 10.667 1.00 0.00 H new ATOM 0 HD2 LYS A 93 130.994 1.720 9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 93 130.310 2.991 10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 93 132.371 2.240 11.587 1.00 0.00 H new ATOM 0 HE3 LYS A 93 131.032 1.758 12.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 132.769 0.029 12.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 131.185 -0.465 11.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 132.254 -0.059 10.603 1.00 0.00 H new ATOM 1457 N THR A 94 125.381 2.084 10.598 1.00 0.00 N ATOM 1458 CA THR A 94 124.461 2.523 11.627 1.00 0.00 C ATOM 1459 C THR A 94 123.043 2.580 11.063 1.00 0.00 C ATOM 1460 O THR A 94 122.766 3.347 10.141 1.00 0.00 O ATOM 1461 CB THR A 94 124.861 3.906 12.185 1.00 0.00 C ATOM 1462 OG1 THR A 94 126.207 3.856 12.679 1.00 0.00 O ATOM 1463 CG2 THR A 94 123.926 4.337 13.306 1.00 0.00 C ATOM 0 H THR A 94 125.370 2.658 9.755 1.00 0.00 H new ATOM 0 HA THR A 94 124.500 1.805 12.446 1.00 0.00 H new ATOM 0 HB THR A 94 124.788 4.633 11.377 1.00 0.00 H new ATOM 0 HG1 THR A 94 126.459 4.735 13.031 1.00 0.00 H new ATOM 0 HG21 THR A 94 124.232 5.314 13.679 1.00 0.00 H new ATOM 0 HG22 THR A 94 122.906 4.397 12.926 1.00 0.00 H new ATOM 0 HG23 THR A 94 123.970 3.609 14.116 1.00 0.00 H new ATOM 1471 N PRO A 95 122.139 1.742 11.591 1.00 0.00 N ATOM 1472 CA PRO A 95 120.743 1.685 11.141 1.00 0.00 C ATOM 1473 C PRO A 95 120.034 3.027 11.288 1.00 0.00 C ATOM 1474 O PRO A 95 120.067 3.652 12.350 1.00 0.00 O ATOM 1475 CB PRO A 95 120.101 0.638 12.058 1.00 0.00 C ATOM 1476 CG PRO A 95 121.031 0.513 13.215 1.00 0.00 C ATOM 1477 CD PRO A 95 122.401 0.776 12.665 1.00 0.00 C ATOM 0 HA PRO A 95 120.672 1.436 10.082 1.00 0.00 H new ATOM 0 HB2 PRO A 95 119.109 0.953 12.382 1.00 0.00 H new ATOM 0 HB3 PRO A 95 119.981 -0.316 11.544 1.00 0.00 H new ATOM 0 HG2 PRO A 95 120.780 1.228 13.998 1.00 0.00 H new ATOM 0 HG3 PRO A 95 120.972 -0.481 13.659 1.00 0.00 H new ATOM 0 HD2 PRO A 95 123.070 1.185 13.423 1.00 0.00 H new ATOM 0 HD3 PRO A 95 122.867 -0.134 12.286 1.00 0.00 H new ATOM 1485 N VAL A 96 119.397 3.464 10.215 1.00 0.00 N ATOM 1486 CA VAL A 96 118.718 4.747 10.203 1.00 0.00 C ATOM 1487 C VAL A 96 117.292 4.607 10.715 1.00 0.00 C ATOM 1488 O VAL A 96 116.379 4.281 9.957 1.00 0.00 O ATOM 1489 CB VAL A 96 118.699 5.362 8.789 1.00 0.00 C ATOM 1490 CG1 VAL A 96 117.946 6.682 8.786 1.00 0.00 C ATOM 1491 CG2 VAL A 96 120.116 5.550 8.272 1.00 0.00 C ATOM 0 H VAL A 96 119.336 2.946 9.338 1.00 0.00 H new ATOM 0 HA VAL A 96 119.274 5.413 10.863 1.00 0.00 H new ATOM 0 HB VAL A 96 118.179 4.674 8.123 1.00 0.00 H new ATOM 0 HG11 VAL A 96 117.945 7.098 7.779 1.00 0.00 H new ATOM 0 HG12 VAL A 96 116.919 6.516 9.111 1.00 0.00 H new ATOM 0 HG13 VAL A 96 118.433 7.380 9.467 1.00 0.00 H new ATOM 0 HG21 VAL A 96 120.084 5.985 7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 96 120.662 6.216 8.940 1.00 0.00 H new ATOM 0 HG23 VAL A 96 120.620 4.584 8.231 1.00 0.00 H new ATOM 1501 N THR A 97 117.114 4.824 12.007 1.00 0.00 N ATOM 1502 CA THR A 97 115.797 4.761 12.613 1.00 0.00 C ATOM 1503 C THR A 97 114.951 5.952 12.178 1.00 0.00 C ATOM 1504 O THR A 97 115.486 6.986 11.771 1.00 0.00 O ATOM 1505 CB THR A 97 115.896 4.734 14.152 1.00 0.00 C ATOM 1506 OG1 THR A 97 116.668 5.851 14.614 1.00 0.00 O ATOM 1507 CG2 THR A 97 116.534 3.437 14.632 1.00 0.00 C ATOM 0 H THR A 97 117.868 5.046 12.657 1.00 0.00 H new ATOM 0 HA THR A 97 115.321 3.840 12.277 1.00 0.00 H new ATOM 0 HB THR A 97 114.887 4.796 14.559 1.00 0.00 H new ATOM 0 HG1 THR A 97 116.725 5.827 15.592 1.00 0.00 H new ATOM 0 HG21 THR A 97 116.593 3.442 15.720 1.00 0.00 H new ATOM 0 HG22 THR A 97 115.929 2.591 14.305 1.00 0.00 H new ATOM 0 HG23 THR A 97 117.537 3.349 14.215 1.00 0.00 H new ATOM 1515 N LEU A 98 113.636 5.805 12.253 1.00 0.00 N ATOM 1516 CA LEU A 98 112.726 6.890 11.911 1.00 0.00 C ATOM 1517 C LEU A 98 112.966 8.090 12.826 1.00 0.00 C ATOM 1518 O LEU A 98 112.750 9.238 12.437 1.00 0.00 O ATOM 1519 CB LEU A 98 111.272 6.418 12.012 1.00 0.00 C ATOM 1520 CG LEU A 98 110.221 7.424 11.534 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.428 7.764 10.063 1.00 0.00 C ATOM 1522 CD2 LEU A 98 108.822 6.877 11.761 1.00 0.00 C ATOM 0 H LEU A 98 113.175 4.944 12.548 1.00 0.00 H new ATOM 0 HA LEU A 98 112.917 7.196 10.882 1.00 0.00 H new ATOM 0 HB2 LEU A 98 111.164 5.502 11.432 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.061 6.164 13.051 1.00 0.00 H new ATOM 0 HG LEU A 98 110.335 8.339 12.115 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.670 8.480 9.745 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.418 8.198 9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.344 6.857 9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.087 7.604 11.416 1.00 0.00 H new ATOM 0 HD22 LEU A 98 108.701 5.947 11.206 1.00 0.00 H new ATOM 0 HD23 LEU A 98 108.674 6.687 12.824 1.00 0.00 H new ATOM 1534 N ALA A 99 113.440 7.813 14.037 1.00 0.00 N ATOM 1535 CA ALA A 99 113.789 8.864 14.983 1.00 0.00 C ATOM 1536 C ALA A 99 114.998 9.650 14.490 1.00 0.00 C ATOM 1537 O ALA A 99 115.074 10.866 14.669 1.00 0.00 O ATOM 1538 CB ALA A 99 114.063 8.272 16.355 1.00 0.00 C ATOM 0 H ALA A 99 113.591 6.866 14.386 1.00 0.00 H new ATOM 0 HA ALA A 99 112.945 9.549 15.063 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.322 9.070 17.050 1.00 0.00 H new ATOM 0 HB2 ALA A 99 113.173 7.754 16.712 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.891 7.566 16.288 1.00 0.00 H new ATOM 1544 N ALA A 100 115.933 8.949 13.855 1.00 0.00 N ATOM 1545 CA ALA A 100 117.116 9.582 13.286 1.00 0.00 C ATOM 1546 C ALA A 100 116.734 10.456 12.099 1.00 0.00 C ATOM 1547 O ALA A 100 117.329 11.506 11.868 1.00 0.00 O ATOM 1548 CB ALA A 100 118.130 8.529 12.865 1.00 0.00 C ATOM 0 H ALA A 100 115.893 7.939 13.722 1.00 0.00 H new ATOM 0 HA ALA A 100 117.570 10.215 14.049 1.00 0.00 H new ATOM 0 HB1 ALA A 100 119.008 9.018 12.442 1.00 0.00 H new ATOM 0 HB2 ALA A 100 118.426 7.941 13.734 1.00 0.00 H new ATOM 0 HB3 ALA A 100 117.684 7.873 12.117 1.00 0.00 H new ATOM 1554 N VAL A 101 115.725 10.015 11.355 1.00 0.00 N ATOM 1555 CA VAL A 101 115.205 10.783 10.228 1.00 0.00 C ATOM 1556 C VAL A 101 114.586 12.090 10.719 1.00 0.00 C ATOM 1557 O VAL A 101 114.659 13.120 10.052 1.00 0.00 O ATOM 1558 CB VAL A 101 114.147 9.975 9.438 1.00 0.00 C ATOM 1559 CG1 VAL A 101 113.651 10.757 8.231 1.00 0.00 C ATOM 1560 CG2 VAL A 101 114.713 8.629 9.009 1.00 0.00 C ATOM 0 H VAL A 101 115.249 9.127 11.513 1.00 0.00 H new ATOM 0 HA VAL A 101 116.040 11.002 9.563 1.00 0.00 H new ATOM 0 HB VAL A 101 113.297 9.798 10.097 1.00 0.00 H new ATOM 0 HG11 VAL A 101 112.909 10.166 7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 101 113.199 11.692 8.564 1.00 0.00 H new ATOM 0 HG13 VAL A 101 114.489 10.975 7.569 1.00 0.00 H new ATOM 0 HG21 VAL A 101 113.955 8.075 8.455 1.00 0.00 H new ATOM 0 HG22 VAL A 101 115.584 8.787 8.373 1.00 0.00 H new ATOM 0 HG23 VAL A 101 115.006 8.060 9.891 1.00 0.00 H new ATOM 1570 N LYS A 102 113.997 12.041 11.909 1.00 0.00 N ATOM 1571 CA LYS A 102 113.381 13.218 12.513 1.00 0.00 C ATOM 1572 C LYS A 102 114.443 14.192 13.022 1.00 0.00 C ATOM 1573 O LYS A 102 114.181 15.387 13.173 1.00 0.00 O ATOM 1574 CB LYS A 102 112.465 12.804 13.669 1.00 0.00 C ATOM 1575 CG LYS A 102 111.311 11.906 13.251 1.00 0.00 C ATOM 1576 CD LYS A 102 110.511 11.440 14.456 1.00 0.00 C ATOM 1577 CE LYS A 102 109.326 10.580 14.046 1.00 0.00 C ATOM 1578 NZ LYS A 102 108.375 11.326 13.182 1.00 0.00 N ATOM 0 H LYS A 102 113.933 11.196 12.476 1.00 0.00 H new ATOM 0 HA LYS A 102 112.790 13.718 11.746 1.00 0.00 H new ATOM 0 HB2 LYS A 102 113.059 12.288 14.423 1.00 0.00 H new ATOM 0 HB3 LYS A 102 112.062 13.701 14.139 1.00 0.00 H new ATOM 0 HG2 LYS A 102 110.658 12.445 12.564 1.00 0.00 H new ATOM 0 HG3 LYS A 102 111.697 11.041 12.711 1.00 0.00 H new ATOM 0 HD2 LYS A 102 111.158 10.873 15.125 1.00 0.00 H new ATOM 0 HD3 LYS A 102 110.156 12.306 15.014 1.00 0.00 H new ATOM 0 HE2 LYS A 102 109.684 9.698 13.515 1.00 0.00 H new ATOM 0 HE3 LYS A 102 108.807 10.227 14.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 107.435 10.885 13.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 108.314 12.313 13.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 108.709 11.303 12.197 1.00 0.00 H new ATOM 1592 N ALA A 103 115.642 13.675 13.277 1.00 0.00 N ATOM 1593 CA ALA A 103 116.730 14.482 13.814 1.00 0.00 C ATOM 1594 C ALA A 103 117.325 15.393 12.746 1.00 0.00 C ATOM 1595 O ALA A 103 117.945 16.409 13.060 1.00 0.00 O ATOM 1596 CB ALA A 103 117.806 13.585 14.410 1.00 0.00 C ATOM 0 H ALA A 103 115.884 12.697 13.119 1.00 0.00 H new ATOM 0 HA ALA A 103 116.323 15.116 14.602 1.00 0.00 H new ATOM 0 HB1 ALA A 103 118.613 14.200 14.808 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.377 12.986 15.213 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.200 12.926 13.636 1.00 0.00 H new ATOM 1602 N GLU A 104 117.133 15.024 11.488 1.00 0.00 N ATOM 1603 CA GLU A 104 117.607 15.829 10.374 1.00 0.00 C ATOM 1604 C GLU A 104 116.435 16.544 9.708 1.00 0.00 C ATOM 1605 O GLU A 104 115.625 15.919 9.021 1.00 0.00 O ATOM 1606 CB GLU A 104 118.351 14.950 9.359 1.00 0.00 C ATOM 1607 CG GLU A 104 118.804 15.685 8.100 1.00 0.00 C ATOM 1608 CD GLU A 104 119.768 16.824 8.376 1.00 0.00 C ATOM 1609 OE1 GLU A 104 119.303 17.965 8.574 1.00 0.00 O ATOM 1610 OE2 GLU A 104 120.995 16.592 8.373 1.00 0.00 O ATOM 0 H GLU A 104 116.650 14.169 11.213 1.00 0.00 H new ATOM 0 HA GLU A 104 118.302 16.579 10.752 1.00 0.00 H new ATOM 0 HB2 GLU A 104 119.224 14.515 9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 104 117.703 14.123 9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 104 119.279 14.973 7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 104 117.928 16.078 7.584 1.00 0.00 H new ATOM 1617 N PRO A 105 116.322 17.867 9.919 1.00 0.00 N ATOM 1618 CA PRO A 105 115.255 18.691 9.337 1.00 0.00 C ATOM 1619 C PRO A 105 115.151 18.552 7.819 1.00 0.00 C ATOM 1620 O PRO A 105 114.072 18.713 7.246 1.00 0.00 O ATOM 1621 CB PRO A 105 115.648 20.127 9.710 1.00 0.00 C ATOM 1622 CG PRO A 105 117.055 20.048 10.199 1.00 0.00 C ATOM 1623 CD PRO A 105 117.220 18.669 10.762 1.00 0.00 C ATOM 0 HA PRO A 105 114.279 18.388 9.715 1.00 0.00 H new ATOM 0 HB2 PRO A 105 115.570 20.790 8.849 1.00 0.00 H new ATOM 0 HB3 PRO A 105 114.988 20.526 10.480 1.00 0.00 H new ATOM 0 HG2 PRO A 105 117.761 20.225 9.387 1.00 0.00 H new ATOM 0 HG3 PRO A 105 117.247 20.805 10.959 1.00 0.00 H new ATOM 0 HD2 PRO A 105 118.252 18.325 10.696 1.00 0.00 H new ATOM 0 HD3 PRO A 105 116.936 18.624 11.813 1.00 0.00 H new ATOM 1631 N ARG A 106 116.271 18.252 7.169 1.00 0.00 N ATOM 1632 CA ARG A 106 116.286 18.062 5.722 1.00 0.00 C ATOM 1633 C ARG A 106 115.521 16.797 5.342 1.00 0.00 C ATOM 1634 O ARG A 106 114.754 16.788 4.382 1.00 0.00 O ATOM 1635 CB ARG A 106 117.725 17.985 5.203 1.00 0.00 C ATOM 1636 CG ARG A 106 118.515 19.268 5.402 1.00 0.00 C ATOM 1637 CD ARG A 106 119.964 19.108 4.965 1.00 0.00 C ATOM 1638 NE ARG A 106 120.091 18.850 3.528 1.00 0.00 N ATOM 1639 CZ ARG A 106 121.109 18.185 2.977 1.00 0.00 C ATOM 1640 NH1 ARG A 106 122.078 17.692 3.740 1.00 0.00 N ATOM 1641 NH2 ARG A 106 121.161 18.022 1.660 1.00 0.00 N ATOM 0 H ARG A 106 117.178 18.135 7.620 1.00 0.00 H new ATOM 0 HA ARG A 106 115.796 18.919 5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 106 118.241 17.169 5.708 1.00 0.00 H new ATOM 0 HB3 ARG A 106 117.706 17.741 4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 106 118.050 20.074 4.834 1.00 0.00 H new ATOM 0 HG3 ARG A 106 118.481 19.558 6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 106 120.519 20.011 5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 106 120.419 18.288 5.520 1.00 0.00 H new ATOM 0 HE ARG A 106 119.357 19.200 2.912 1.00 0.00 H new ATOM 0 HH11 ARG A 106 122.046 17.821 4.751 1.00 0.00 H new ATOM 0 HH12 ARG A 106 122.854 17.185 3.315 1.00 0.00 H new ATOM 0 HH21 ARG A 106 120.423 18.405 1.069 1.00 0.00 H new ATOM 0 HH22 ARG A 106 121.939 17.514 1.239 1.00 0.00 H new ATOM 1655 N LEU A 107 115.709 15.741 6.124 1.00 0.00 N ATOM 1656 CA LEU A 107 115.056 14.465 5.857 1.00 0.00 C ATOM 1657 C LEU A 107 113.649 14.450 6.434 1.00 0.00 C ATOM 1658 O LEU A 107 112.847 13.566 6.131 1.00 0.00 O ATOM 1659 CB LEU A 107 115.873 13.316 6.442 1.00 0.00 C ATOM 1660 CG LEU A 107 117.257 13.132 5.821 1.00 0.00 C ATOM 1661 CD1 LEU A 107 118.012 12.018 6.528 1.00 0.00 C ATOM 1662 CD2 LEU A 107 117.138 12.835 4.332 1.00 0.00 C ATOM 0 H LEU A 107 116.309 15.743 6.949 1.00 0.00 H new ATOM 0 HA LEU A 107 114.990 14.336 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 107 115.990 13.481 7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 107 115.310 12.390 6.321 1.00 0.00 H new ATOM 0 HG LEU A 107 117.817 14.059 5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 107 118.996 11.900 6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 107 118.127 12.269 7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 107 117.455 11.085 6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 107 118.133 12.707 3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 107 116.561 11.921 4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 107 116.634 13.664 3.835 1.00 0.00 H new ATOM 1674 N ALA A 108 113.351 15.444 7.258 1.00 0.00 N ATOM 1675 CA ALA A 108 112.023 15.589 7.834 1.00 0.00 C ATOM 1676 C ALA A 108 111.011 15.999 6.770 1.00 0.00 C ATOM 1677 O ALA A 108 109.802 15.971 7.004 1.00 0.00 O ATOM 1678 CB ALA A 108 112.040 16.599 8.974 1.00 0.00 C ATOM 0 H ALA A 108 114.014 16.165 7.543 1.00 0.00 H new ATOM 0 HA ALA A 108 111.721 14.622 8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 108 111.038 16.693 9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 108 112.726 16.260 9.750 1.00 0.00 H new ATOM 0 HB3 ALA A 108 112.369 17.568 8.597 1.00 0.00 H new ATOM 1684 N ASP A 109 111.506 16.384 5.599 1.00 0.00 N ATOM 1685 CA ASP A 109 110.631 16.758 4.495 1.00 0.00 C ATOM 1686 C ASP A 109 110.654 15.682 3.413 1.00 0.00 C ATOM 1687 O ASP A 109 110.137 15.868 2.313 1.00 0.00 O ATOM 1688 CB ASP A 109 111.038 18.117 3.917 1.00 0.00 C ATOM 1689 CG ASP A 109 109.907 18.781 3.152 1.00 0.00 C ATOM 1690 OD1 ASP A 109 108.770 18.800 3.672 1.00 0.00 O ATOM 1691 OD2 ASP A 109 110.141 19.287 2.033 1.00 0.00 O ATOM 0 H ASP A 109 112.503 16.445 5.391 1.00 0.00 H new ATOM 0 HA ASP A 109 109.613 16.844 4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 109 111.359 18.772 4.727 1.00 0.00 H new ATOM 0 HB3 ASP A 109 111.894 17.986 3.255 1.00 0.00 H new ATOM 1696 N MET A 110 111.251 14.545 3.741 1.00 0.00 N ATOM 1697 CA MET A 110 111.269 13.398 2.840 1.00 0.00 C ATOM 1698 C MET A 110 109.947 12.639 2.958 1.00 0.00 C ATOM 1699 O MET A 110 109.278 12.721 3.992 1.00 0.00 O ATOM 1700 CB MET A 110 112.461 12.486 3.175 1.00 0.00 C ATOM 1701 CG MET A 110 112.565 11.236 2.310 1.00 0.00 C ATOM 1702 SD MET A 110 114.064 10.285 2.636 1.00 0.00 S ATOM 1703 CE MET A 110 113.926 10.010 4.399 1.00 0.00 C ATOM 0 H MET A 110 111.731 14.391 4.627 1.00 0.00 H new ATOM 0 HA MET A 110 111.384 13.740 1.811 1.00 0.00 H new ATOM 0 HB2 MET A 110 113.382 13.061 3.072 1.00 0.00 H new ATOM 0 HB3 MET A 110 112.388 12.184 4.220 1.00 0.00 H new ATOM 0 HG2 MET A 110 111.694 10.605 2.485 1.00 0.00 H new ATOM 0 HG3 MET A 110 112.544 11.524 1.259 1.00 0.00 H new ATOM 0 HE1 MET A 110 114.759 10.494 4.909 1.00 0.00 H new ATOM 0 HE2 MET A 110 112.986 10.428 4.760 1.00 0.00 H new ATOM 0 HE3 MET A 110 113.949 8.940 4.603 1.00 0.00 H new ATOM 1713 N ALA A 111 109.568 11.915 1.904 1.00 0.00 N ATOM 1714 CA ALA A 111 108.306 11.166 1.882 1.00 0.00 C ATOM 1715 C ALA A 111 108.166 10.247 3.096 1.00 0.00 C ATOM 1716 O ALA A 111 107.052 9.978 3.551 1.00 0.00 O ATOM 1717 CB ALA A 111 108.189 10.352 0.601 1.00 0.00 C ATOM 0 H ALA A 111 110.118 11.830 1.049 1.00 0.00 H new ATOM 0 HA ALA A 111 107.498 11.897 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 111 107.247 9.804 0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 111 108.218 11.021 -0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 111 109.019 9.648 0.540 1.00 0.00 H new ATOM 1723 N LEU A 112 109.298 9.778 3.618 1.00 0.00 N ATOM 1724 CA LEU A 112 109.312 8.879 4.771 1.00 0.00 C ATOM 1725 C LEU A 112 108.711 9.551 6.004 1.00 0.00 C ATOM 1726 O LEU A 112 108.140 8.887 6.865 1.00 0.00 O ATOM 1727 CB LEU A 112 110.744 8.418 5.064 1.00 0.00 C ATOM 1728 CG LEU A 112 110.887 7.387 6.189 1.00 0.00 C ATOM 1729 CD1 LEU A 112 110.160 6.099 5.835 1.00 0.00 C ATOM 1730 CD2 LEU A 112 112.357 7.109 6.469 1.00 0.00 C ATOM 0 H LEU A 112 110.224 10.008 3.258 1.00 0.00 H new ATOM 0 HA LEU A 112 108.700 8.010 4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 112 111.165 7.996 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 112 111.344 9.292 5.317 1.00 0.00 H new ATOM 0 HG LEU A 112 110.433 7.798 7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 112 110.275 5.381 6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 112 109.101 6.309 5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 112 110.582 5.682 4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 112 112.442 6.375 7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 112 112.832 6.720 5.568 1.00 0.00 H new ATOM 0 HD23 LEU A 112 112.851 8.033 6.769 1.00 0.00 H new ATOM 1742 N MET A 113 108.831 10.870 6.076 1.00 0.00 N ATOM 1743 CA MET A 113 108.288 11.626 7.199 1.00 0.00 C ATOM 1744 C MET A 113 106.927 12.218 6.857 1.00 0.00 C ATOM 1745 O MET A 113 106.246 12.781 7.717 1.00 0.00 O ATOM 1746 CB MET A 113 109.251 12.736 7.610 1.00 0.00 C ATOM 1747 CG MET A 113 110.235 12.320 8.689 1.00 0.00 C ATOM 1748 SD MET A 113 109.425 11.980 10.264 1.00 0.00 S ATOM 1749 CE MET A 113 108.603 13.547 10.550 1.00 0.00 C ATOM 0 H MET A 113 109.299 11.439 5.371 1.00 0.00 H new ATOM 0 HA MET A 113 108.162 10.937 8.034 1.00 0.00 H new ATOM 0 HB2 MET A 113 109.806 13.067 6.732 1.00 0.00 H new ATOM 0 HB3 MET A 113 108.676 13.591 7.965 1.00 0.00 H new ATOM 0 HG2 MET A 113 110.775 11.431 8.362 1.00 0.00 H new ATOM 0 HG3 MET A 113 110.974 13.109 8.827 1.00 0.00 H new ATOM 0 HE1 MET A 113 108.408 13.666 11.616 1.00 0.00 H new ATOM 0 HE2 MET A 113 109.241 14.361 10.205 1.00 0.00 H new ATOM 0 HE3 MET A 113 107.660 13.568 10.004 1.00 0.00 H new ATOM 1759 N LYS A 114 106.533 12.092 5.599 1.00 0.00 N ATOM 1760 CA LYS A 114 105.248 12.607 5.148 1.00 0.00 C ATOM 1761 C LYS A 114 104.190 11.518 5.200 1.00 0.00 C ATOM 1762 O LYS A 114 103.166 11.659 5.870 1.00 0.00 O ATOM 1763 CB LYS A 114 105.349 13.160 3.723 1.00 0.00 C ATOM 1764 CG LYS A 114 106.272 14.358 3.590 1.00 0.00 C ATOM 1765 CD LYS A 114 106.216 14.946 2.188 1.00 0.00 C ATOM 1766 CE LYS A 114 107.129 16.153 2.049 1.00 0.00 C ATOM 1767 NZ LYS A 114 106.731 17.267 2.949 1.00 0.00 N ATOM 0 H LYS A 114 107.085 11.637 4.871 1.00 0.00 H new ATOM 0 HA LYS A 114 104.960 13.417 5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 114 105.700 12.368 3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 114 104.353 13.442 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 114 105.990 15.119 4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 114 107.295 14.059 3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 114 106.505 14.186 1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 114 105.191 15.236 1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 114 108.154 15.858 2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 114 107.114 16.500 1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 107.372 18.074 2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 105.756 17.557 2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 106.787 16.951 3.938 1.00 0.00 H new ATOM 1781 N TYR A 115 104.446 10.424 4.499 1.00 0.00 N ATOM 1782 CA TYR A 115 103.478 9.348 4.403 1.00 0.00 C ATOM 1783 C TYR A 115 104.086 8.034 4.869 1.00 0.00 C ATOM 1784 O TYR A 115 104.659 7.291 4.073 1.00 0.00 O ATOM 1785 CB TYR A 115 102.981 9.189 2.962 1.00 0.00 C ATOM 1786 CG TYR A 115 102.624 10.490 2.281 1.00 0.00 C ATOM 1787 CD1 TYR A 115 101.481 11.197 2.633 1.00 0.00 C ATOM 1788 CD2 TYR A 115 103.437 11.012 1.281 1.00 0.00 C ATOM 1789 CE1 TYR A 115 101.158 12.385 2.008 1.00 0.00 C ATOM 1790 CE2 TYR A 115 103.119 12.199 0.653 1.00 0.00 C ATOM 1791 CZ TYR A 115 101.982 12.882 1.021 1.00 0.00 C ATOM 1792 OH TYR A 115 101.665 14.064 0.393 1.00 0.00 O ATOM 0 H TYR A 115 105.315 10.260 3.990 1.00 0.00 H new ATOM 0 HA TYR A 115 102.636 9.604 5.046 1.00 0.00 H new ATOM 0 HB2 TYR A 115 103.751 8.686 2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 115 102.105 8.540 2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 115 100.835 10.811 3.408 1.00 0.00 H new ATOM 0 HD2 TYR A 115 104.331 10.480 0.991 1.00 0.00 H new ATOM 0 HE1 TYR A 115 100.265 12.922 2.291 1.00 0.00 H new ATOM 0 HE2 TYR A 115 103.759 12.590 -0.124 1.00 0.00 H new ATOM 0 HH TYR A 115 102.350 14.273 -0.276 1.00 0.00 H new ATOM 1802 N SER A 116 103.969 7.751 6.156 1.00 0.00 N ATOM 1803 CA SER A 116 104.428 6.480 6.701 1.00 0.00 C ATOM 1804 C SER A 116 103.580 5.331 6.152 1.00 0.00 C ATOM 1805 O SER A 116 103.980 4.167 6.188 1.00 0.00 O ATOM 1806 CB SER A 116 104.347 6.520 8.226 1.00 0.00 C ATOM 1807 OG SER A 116 104.943 7.706 8.726 1.00 0.00 O ATOM 0 H SER A 116 103.560 8.383 6.844 1.00 0.00 H new ATOM 0 HA SER A 116 105.463 6.314 6.403 1.00 0.00 H new ATOM 0 HB2 SER A 116 103.305 6.469 8.542 1.00 0.00 H new ATOM 0 HB3 SER A 116 104.850 5.649 8.645 1.00 0.00 H new ATOM 0 HG SER A 116 104.881 7.716 9.704 1.00 0.00 H new ATOM 1813 N ARG A 117 102.417 5.692 5.623 1.00 0.00 N ATOM 1814 CA ARG A 117 101.467 4.732 5.074 1.00 0.00 C ATOM 1815 C ARG A 117 101.837 4.362 3.636 1.00 0.00 C ATOM 1816 O ARG A 117 101.291 3.420 3.069 1.00 0.00 O ATOM 1817 CB ARG A 117 100.061 5.335 5.123 1.00 0.00 C ATOM 1818 CG ARG A 117 99.654 5.796 6.517 1.00 0.00 C ATOM 1819 CD ARG A 117 98.418 6.683 6.484 1.00 0.00 C ATOM 1820 NE ARG A 117 98.613 7.862 5.639 1.00 0.00 N ATOM 1821 CZ ARG A 117 98.544 9.121 6.073 1.00 0.00 C ATOM 1822 NH1 ARG A 117 98.300 9.391 7.349 1.00 0.00 N ATOM 1823 NH2 ARG A 117 98.728 10.115 5.218 1.00 0.00 N ATOM 0 H ARG A 117 102.105 6.661 5.563 1.00 0.00 H new ATOM 0 HA ARG A 117 101.495 3.821 5.671 1.00 0.00 H new ATOM 0 HB2 ARG A 117 100.012 6.182 4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 117 99.343 4.596 4.768 1.00 0.00 H new ATOM 0 HG2 ARG A 117 99.460 4.926 7.145 1.00 0.00 H new ATOM 0 HG3 ARG A 117 100.480 6.341 6.974 1.00 0.00 H new ATOM 0 HD2 ARG A 117 97.569 6.108 6.114 1.00 0.00 H new ATOM 0 HD3 ARG A 117 98.172 7.000 7.497 1.00 0.00 H new ATOM 0 HE ARG A 117 98.815 7.710 4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 117 98.162 8.630 8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 117 98.250 10.360 7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 117 98.921 9.914 4.237 1.00 0.00 H new ATOM 0 HH22 ARG A 117 98.677 11.081 5.541 1.00 0.00 H new ATOM 1837 N LEU A 118 102.770 5.111 3.058 1.00 0.00 N ATOM 1838 CA LEU A 118 103.224 4.861 1.696 1.00 0.00 C ATOM 1839 C LEU A 118 104.389 3.878 1.706 1.00 0.00 C ATOM 1840 O LEU A 118 105.481 4.202 2.179 1.00 0.00 O ATOM 1841 CB LEU A 118 103.640 6.178 1.027 1.00 0.00 C ATOM 1842 CG LEU A 118 104.233 6.059 -0.381 1.00 0.00 C ATOM 1843 CD1 LEU A 118 103.225 5.462 -1.348 1.00 0.00 C ATOM 1844 CD2 LEU A 118 104.696 7.420 -0.875 1.00 0.00 C ATOM 0 H LEU A 118 103.228 5.900 3.515 1.00 0.00 H new ATOM 0 HA LEU A 118 102.405 4.425 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 118 102.767 6.829 0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.371 6.672 1.667 1.00 0.00 H new ATOM 0 HG LEU A 118 105.093 5.391 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 118 103.671 5.389 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 118 102.937 4.468 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.343 6.100 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 118 105.115 7.320 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 118 103.848 8.105 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 118 105.457 7.812 -0.201 1.00 0.00 H new ATOM 1856 N SER A 119 104.142 2.675 1.203 1.00 0.00 N ATOM 1857 CA SER A 119 105.141 1.615 1.193 1.00 0.00 C ATOM 1858 C SER A 119 106.373 2.010 0.377 1.00 0.00 C ATOM 1859 O SER A 119 107.464 2.174 0.927 1.00 0.00 O ATOM 1860 CB SER A 119 104.527 0.335 0.623 1.00 0.00 C ATOM 1861 OG SER A 119 103.269 0.072 1.219 1.00 0.00 O ATOM 0 H SER A 119 103.247 2.408 0.792 1.00 0.00 H new ATOM 0 HA SER A 119 105.463 1.444 2.220 1.00 0.00 H new ATOM 0 HB2 SER A 119 104.410 0.432 -0.456 1.00 0.00 H new ATOM 0 HB3 SER A 119 105.200 -0.505 0.797 1.00 0.00 H new ATOM 0 HG SER A 119 102.893 -0.749 0.840 1.00 0.00 H new ATOM 1867 N VAL A 120 106.186 2.176 -0.927 1.00 0.00 N ATOM 1868 CA VAL A 120 107.293 2.460 -1.832 1.00 0.00 C ATOM 1869 C VAL A 120 107.375 3.950 -2.135 1.00 0.00 C ATOM 1870 O VAL A 120 106.475 4.524 -2.747 1.00 0.00 O ATOM 1871 CB VAL A 120 107.162 1.671 -3.152 1.00 0.00 C ATOM 1872 CG1 VAL A 120 108.307 2.001 -4.098 1.00 0.00 C ATOM 1873 CG2 VAL A 120 107.111 0.175 -2.876 1.00 0.00 C ATOM 0 H VAL A 120 105.275 2.119 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 120 108.208 2.145 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 120 106.230 1.966 -3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 120 108.192 1.432 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 120 108.296 3.067 -4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 120 109.255 1.740 -3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 120 107.019 -0.366 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 120 108.026 -0.133 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 120 106.252 -0.049 -2.243 1.00 0.00 H new ATOM 1883 N GLN A 121 108.465 4.563 -1.711 1.00 0.00 N ATOM 1884 CA GLN A 121 108.641 6.002 -1.845 1.00 0.00 C ATOM 1885 C GLN A 121 109.797 6.328 -2.785 1.00 0.00 C ATOM 1886 O GLN A 121 110.707 5.518 -2.955 1.00 0.00 O ATOM 1887 CB GLN A 121 108.897 6.607 -0.467 1.00 0.00 C ATOM 1888 CG GLN A 121 107.773 6.349 0.517 1.00 0.00 C ATOM 1889 CD GLN A 121 108.100 6.815 1.916 1.00 0.00 C ATOM 1890 OE1 GLN A 121 109.251 6.790 2.343 1.00 0.00 O ATOM 1891 NE2 GLN A 121 107.085 7.231 2.649 1.00 0.00 N ATOM 0 H GLN A 121 109.249 4.084 -1.267 1.00 0.00 H new ATOM 0 HA GLN A 121 107.733 6.429 -2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 121 109.824 6.199 -0.065 1.00 0.00 H new ATOM 0 HB3 GLN A 121 109.041 7.683 -0.571 1.00 0.00 H new ATOM 0 HG2 GLN A 121 106.871 6.855 0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 121 107.552 5.282 0.537 1.00 0.00 H new ATOM 0 HE21 GLN A 121 106.143 7.237 2.259 1.00 0.00 H new ATOM 0 HE22 GLN A 121 107.243 7.547 3.606 1.00 0.00 H new ATOM 1900 N PRO A 122 109.760 7.507 -3.430 1.00 0.00 N ATOM 1901 CA PRO A 122 110.836 7.978 -4.291 1.00 0.00 C ATOM 1902 C PRO A 122 111.854 8.832 -3.533 1.00 0.00 C ATOM 1903 O PRO A 122 111.483 9.716 -2.755 1.00 0.00 O ATOM 1904 CB PRO A 122 110.082 8.816 -5.320 1.00 0.00 C ATOM 1905 CG PRO A 122 108.895 9.364 -4.589 1.00 0.00 C ATOM 1906 CD PRO A 122 108.653 8.478 -3.385 1.00 0.00 C ATOM 0 HA PRO A 122 111.424 7.166 -4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 122 110.709 9.618 -5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 122 109.774 8.210 -6.172 1.00 0.00 H new ATOM 0 HG2 PRO A 122 109.078 10.392 -4.278 1.00 0.00 H new ATOM 0 HG3 PRO A 122 108.019 9.378 -5.237 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.663 9.052 -2.458 1.00 0.00 H new ATOM 0 HD3 PRO A 122 107.684 7.982 -3.443 1.00 0.00 H new ATOM 1914 N VAL A 123 113.131 8.563 -3.760 1.00 0.00 N ATOM 1915 CA VAL A 123 114.200 9.276 -3.078 1.00 0.00 C ATOM 1916 C VAL A 123 115.152 9.903 -4.096 1.00 0.00 C ATOM 1917 O VAL A 123 115.541 9.256 -5.069 1.00 0.00 O ATOM 1918 CB VAL A 123 114.991 8.327 -2.149 1.00 0.00 C ATOM 1919 CG1 VAL A 123 116.093 9.071 -1.418 1.00 0.00 C ATOM 1920 CG2 VAL A 123 114.065 7.645 -1.154 1.00 0.00 C ATOM 0 H VAL A 123 113.453 7.851 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 123 113.747 10.062 -2.473 1.00 0.00 H new ATOM 0 HB VAL A 123 115.451 7.561 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.633 8.379 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 123 116.783 9.504 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.656 9.866 -0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 123 114.645 6.983 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.568 8.399 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 123 113.317 7.064 -1.693 1.00 0.00 H new ATOM 1930 N THR A 124 115.513 11.161 -3.889 1.00 0.00 N ATOM 1931 CA THR A 124 116.439 11.832 -4.789 1.00 0.00 C ATOM 1932 C THR A 124 117.887 11.557 -4.383 1.00 0.00 C ATOM 1933 O THR A 124 118.145 10.998 -3.314 1.00 0.00 O ATOM 1934 CB THR A 124 116.189 13.353 -4.833 1.00 0.00 C ATOM 1935 OG1 THR A 124 116.286 13.913 -3.518 1.00 0.00 O ATOM 1936 CG2 THR A 124 114.820 13.660 -5.421 1.00 0.00 C ATOM 0 H THR A 124 115.182 11.734 -3.112 1.00 0.00 H new ATOM 0 HA THR A 124 116.266 11.429 -5.787 1.00 0.00 H new ATOM 0 HB THR A 124 116.952 13.801 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 124 115.422 13.832 -3.063 1.00 0.00 H new ATOM 0 HG21 THR A 124 114.667 14.739 -5.442 1.00 0.00 H new ATOM 0 HG22 THR A 124 114.763 13.266 -6.436 1.00 0.00 H new ATOM 0 HG23 THR A 124 114.048 13.195 -4.808 1.00 0.00 H new ATOM 1944 N ALA A 125 118.823 11.959 -5.238 1.00 0.00 N ATOM 1945 CA ALA A 125 120.245 11.701 -5.018 1.00 0.00 C ATOM 1946 C ALA A 125 120.728 12.252 -3.684 1.00 0.00 C ATOM 1947 O ALA A 125 121.383 11.546 -2.922 1.00 0.00 O ATOM 1948 CB ALA A 125 121.069 12.284 -6.156 1.00 0.00 C ATOM 0 H ALA A 125 118.621 12.469 -6.098 1.00 0.00 H new ATOM 0 HA ALA A 125 120.378 10.620 -4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 125 122.126 12.085 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 125 120.766 11.825 -7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 125 120.907 13.361 -6.208 1.00 0.00 H new ATOM 1954 N GLU A 126 120.387 13.502 -3.391 1.00 0.00 N ATOM 1955 CA GLU A 126 120.869 14.149 -2.178 1.00 0.00 C ATOM 1956 C GLU A 126 120.262 13.505 -0.934 1.00 0.00 C ATOM 1957 O GLU A 126 120.950 13.324 0.070 1.00 0.00 O ATOM 1958 CB GLU A 126 120.570 15.648 -2.217 1.00 0.00 C ATOM 1959 CG GLU A 126 121.180 16.432 -1.062 1.00 0.00 C ATOM 1960 CD GLU A 126 122.683 16.239 -0.932 1.00 0.00 C ATOM 1961 OE1 GLU A 126 123.360 16.039 -1.966 1.00 0.00 O ATOM 1962 OE2 GLU A 126 123.194 16.304 0.207 1.00 0.00 O ATOM 0 H GLU A 126 119.783 14.083 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 126 121.950 14.015 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 126 120.941 16.058 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 126 119.490 15.793 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 126 120.967 17.492 -1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 126 120.700 16.128 -0.132 1.00 0.00 H new ATOM 1969 N GLU A 127 118.984 13.144 -1.006 1.00 0.00 N ATOM 1970 CA GLU A 127 118.330 12.453 0.103 1.00 0.00 C ATOM 1971 C GLU A 127 119.002 11.103 0.345 1.00 0.00 C ATOM 1972 O GLU A 127 119.343 10.759 1.477 1.00 0.00 O ATOM 1973 CB GLU A 127 116.843 12.248 -0.187 1.00 0.00 C ATOM 1974 CG GLU A 127 116.054 13.539 -0.323 1.00 0.00 C ATOM 1975 CD GLU A 127 114.635 13.299 -0.801 1.00 0.00 C ATOM 1976 OE1 GLU A 127 114.468 12.913 -1.979 1.00 0.00 O ATOM 1977 OE2 GLU A 127 113.688 13.490 -0.009 1.00 0.00 O ATOM 0 H GLU A 127 118.384 13.316 -1.813 1.00 0.00 H new ATOM 0 HA GLU A 127 118.426 13.070 0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 127 116.739 11.673 -1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 127 116.407 11.651 0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 127 116.029 14.050 0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 127 116.563 14.202 -1.023 1.00 0.00 H new ATOM 1984 N TRP A 128 119.205 10.353 -0.739 1.00 0.00 N ATOM 1985 CA TRP A 128 119.884 9.062 -0.681 1.00 0.00 C ATOM 1986 C TRP A 128 121.264 9.214 -0.047 1.00 0.00 C ATOM 1987 O TRP A 128 121.612 8.506 0.901 1.00 0.00 O ATOM 1988 CB TRP A 128 120.017 8.478 -2.096 1.00 0.00 C ATOM 1989 CG TRP A 128 120.741 7.164 -2.147 1.00 0.00 C ATOM 1990 CD1 TRP A 128 122.090 6.973 -2.246 1.00 0.00 C ATOM 1991 CD2 TRP A 128 120.152 5.861 -2.112 1.00 0.00 C ATOM 1992 NE1 TRP A 128 122.375 5.631 -2.261 1.00 0.00 N ATOM 1993 CE2 TRP A 128 121.204 4.927 -2.182 1.00 0.00 C ATOM 1994 CE3 TRP A 128 118.840 5.391 -2.025 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 120.981 3.557 -2.168 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 118.621 4.029 -2.012 1.00 0.00 C ATOM 1997 CH2 TRP A 128 119.687 3.125 -2.082 1.00 0.00 C ATOM 0 H TRP A 128 118.905 10.623 -1.676 1.00 0.00 H new ATOM 0 HA TRP A 128 119.293 8.382 -0.067 1.00 0.00 H new ATOM 0 HB2 TRP A 128 119.021 8.350 -2.520 1.00 0.00 H new ATOM 0 HB3 TRP A 128 120.542 9.196 -2.727 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.825 7.763 -2.304 1.00 0.00 H new ATOM 0 HE1 TRP A 128 123.308 5.224 -2.321 1.00 0.00 H new ATOM 0 HE3 TRP A 128 118.011 6.081 -1.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 121.801 2.857 -2.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 117.610 3.654 -1.947 1.00 0.00 H new ATOM 0 HH2 TRP A 128 119.483 2.065 -2.068 1.00 0.00 H new ATOM 2008 N LYS A 129 122.034 10.151 -0.582 1.00 0.00 N ATOM 2009 CA LYS A 129 123.382 10.420 -0.103 1.00 0.00 C ATOM 2010 C LYS A 129 123.384 10.808 1.373 1.00 0.00 C ATOM 2011 O LYS A 129 124.205 10.314 2.147 1.00 0.00 O ATOM 2012 CB LYS A 129 124.015 11.530 -0.947 1.00 0.00 C ATOM 2013 CG LYS A 129 124.432 11.083 -2.343 1.00 0.00 C ATOM 2014 CD LYS A 129 125.907 10.708 -2.417 1.00 0.00 C ATOM 2015 CE LYS A 129 126.263 9.574 -1.471 1.00 0.00 C ATOM 2016 NZ LYS A 129 127.658 9.112 -1.667 1.00 0.00 N ATOM 0 H LYS A 129 121.743 10.745 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 129 123.970 9.507 -0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 129 123.307 12.354 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 129 124.889 11.917 -0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 129 123.827 10.227 -2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 129 124.227 11.883 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 129 126.155 10.417 -3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 129 126.514 11.581 -2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 129 126.131 9.905 -0.441 1.00 0.00 H new ATOM 0 HE3 LYS A 129 125.578 8.741 -1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 127.864 8.338 -1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 127.778 8.773 -2.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 128.313 9.901 -1.492 1.00 0.00 H new ATOM 2030 N LEU A 130 122.458 11.676 1.759 1.00 0.00 N ATOM 2031 CA LEU A 130 122.387 12.164 3.130 1.00 0.00 C ATOM 2032 C LEU A 130 122.069 11.035 4.109 1.00 0.00 C ATOM 2033 O LEU A 130 122.734 10.899 5.131 1.00 0.00 O ATOM 2034 CB LEU A 130 121.343 13.278 3.253 1.00 0.00 C ATOM 2035 CG LEU A 130 121.210 13.902 4.645 1.00 0.00 C ATOM 2036 CD1 LEU A 130 122.531 14.513 5.092 1.00 0.00 C ATOM 2037 CD2 LEU A 130 120.113 14.952 4.648 1.00 0.00 C ATOM 0 H LEU A 130 121.743 12.058 1.139 1.00 0.00 H new ATOM 0 HA LEU A 130 123.367 12.568 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 130 121.592 14.066 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 130 120.373 12.878 2.958 1.00 0.00 H new ATOM 0 HG LEU A 130 120.943 13.115 5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 130 122.413 14.950 6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 130 123.297 13.738 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 130 122.830 15.288 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 130 120.029 15.388 5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 130 120.356 15.734 3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.165 14.489 4.374 1.00 0.00 H new ATOM 2049 N VAL A 131 121.066 10.224 3.787 1.00 0.00 N ATOM 2050 CA VAL A 131 120.646 9.136 4.671 1.00 0.00 C ATOM 2051 C VAL A 131 121.753 8.098 4.837 1.00 0.00 C ATOM 2052 O VAL A 131 122.061 7.688 5.955 1.00 0.00 O ATOM 2053 CB VAL A 131 119.369 8.436 4.144 1.00 0.00 C ATOM 2054 CG1 VAL A 131 118.977 7.267 5.033 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.215 9.418 4.035 1.00 0.00 C ATOM 0 H VAL A 131 120.529 10.297 2.923 1.00 0.00 H new ATOM 0 HA VAL A 131 120.429 9.586 5.640 1.00 0.00 H new ATOM 0 HB VAL A 131 119.594 8.052 3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.077 6.795 4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 131 119.788 6.539 5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.784 7.627 6.044 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.331 8.901 3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.002 9.840 5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.483 10.220 3.347 1.00 0.00 H new ATOM 2065 N CYS A 132 122.355 7.683 3.726 1.00 0.00 N ATOM 2066 CA CYS A 132 123.449 6.717 3.768 1.00 0.00 C ATOM 2067 C CYS A 132 124.604 7.259 4.606 1.00 0.00 C ATOM 2068 O CYS A 132 125.110 6.586 5.503 1.00 0.00 O ATOM 2069 CB CYS A 132 123.930 6.402 2.353 1.00 0.00 C ATOM 2070 SG CYS A 132 122.654 5.707 1.278 1.00 0.00 S ATOM 0 H CYS A 132 122.105 7.999 2.789 1.00 0.00 H new ATOM 0 HA CYS A 132 123.084 5.799 4.228 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.314 7.316 1.899 1.00 0.00 H new ATOM 0 HB3 CYS A 132 124.762 5.701 2.411 1.00 0.00 H new ATOM 0 HG CYS A 132 121.888 6.662 0.840 1.00 0.00 H new ATOM 2076 N LYS A 133 124.991 8.494 4.322 1.00 0.00 N ATOM 2077 CA LYS A 133 126.057 9.164 5.053 1.00 0.00 C ATOM 2078 C LYS A 133 125.689 9.326 6.528 1.00 0.00 C ATOM 2079 O LYS A 133 126.552 9.271 7.405 1.00 0.00 O ATOM 2080 CB LYS A 133 126.324 10.520 4.398 1.00 0.00 C ATOM 2081 CG LYS A 133 127.173 11.480 5.217 1.00 0.00 C ATOM 2082 CD LYS A 133 127.441 12.764 4.446 1.00 0.00 C ATOM 2083 CE LYS A 133 126.144 13.436 4.012 1.00 0.00 C ATOM 2084 NZ LYS A 133 126.390 14.596 3.118 1.00 0.00 N ATOM 0 H LYS A 133 124.576 9.059 3.581 1.00 0.00 H new ATOM 0 HA LYS A 133 126.963 8.560 5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 133 126.816 10.352 3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 133 125.367 10.997 4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 133 126.665 11.713 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 133 128.118 11.004 5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 133 128.017 13.450 5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 133 128.049 12.543 3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 133 125.514 12.710 3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 133 125.595 13.768 4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 125.482 15.024 2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 126.970 15.301 3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 126.891 14.276 2.264 1.00 0.00 H new ATOM 2098 N MET A 134 124.400 9.503 6.789 1.00 0.00 N ATOM 2099 CA MET A 134 123.897 9.652 8.149 1.00 0.00 C ATOM 2100 C MET A 134 123.969 8.320 8.893 1.00 0.00 C ATOM 2101 O MET A 134 124.044 8.283 10.123 1.00 0.00 O ATOM 2102 CB MET A 134 122.451 10.160 8.123 1.00 0.00 C ATOM 2103 CG MET A 134 121.975 10.702 9.457 1.00 0.00 C ATOM 2104 SD MET A 134 120.261 11.260 9.426 1.00 0.00 S ATOM 2105 CE MET A 134 119.415 9.736 9.035 1.00 0.00 C ATOM 0 H MET A 134 123.678 9.547 6.070 1.00 0.00 H new ATOM 0 HA MET A 134 124.520 10.378 8.672 1.00 0.00 H new ATOM 0 HB2 MET A 134 122.363 10.943 7.370 1.00 0.00 H new ATOM 0 HB3 MET A 134 121.794 9.346 7.815 1.00 0.00 H new ATOM 0 HG2 MET A 134 122.085 9.928 10.216 1.00 0.00 H new ATOM 0 HG3 MET A 134 122.615 11.533 9.754 1.00 0.00 H new ATOM 0 HE1 MET A 134 118.497 9.669 9.619 1.00 0.00 H new ATOM 0 HE2 MET A 134 119.171 9.717 7.973 1.00 0.00 H new ATOM 0 HE3 MET A 134 120.060 8.890 9.274 1.00 0.00 H new ATOM 2115 N GLY A 135 123.960 7.231 8.132 1.00 0.00 N ATOM 2116 CA GLY A 135 124.016 5.905 8.713 1.00 0.00 C ATOM 2117 C GLY A 135 125.432 5.374 8.811 1.00 0.00 C ATOM 2118 O GLY A 135 125.651 4.161 8.781 1.00 0.00 O ATOM 0 H GLY A 135 123.914 7.246 7.113 1.00 0.00 H new ATOM 0 HA2 GLY A 135 123.571 5.928 9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 135 123.416 5.222 8.111 1.00 0.00 H new ATOM 2122 N GLY A 136 126.396 6.284 8.905 1.00 0.00 N ATOM 2123 CA GLY A 136 127.781 5.894 9.098 1.00 0.00 C ATOM 2124 C GLY A 136 128.389 5.221 7.881 1.00 0.00 C ATOM 2125 O GLY A 136 129.392 4.519 7.994 1.00 0.00 O ATOM 0 H GLY A 136 126.241 7.291 8.851 1.00 0.00 H new ATOM 0 HA2 GLY A 136 128.369 6.777 9.348 1.00 0.00 H new ATOM 0 HA3 GLY A 136 127.845 5.217 9.950 1.00 0.00 H new ATOM 2129 N LEU A 137 127.798 5.443 6.714 1.00 0.00 N ATOM 2130 CA LEU A 137 128.296 4.844 5.481 1.00 0.00 C ATOM 2131 C LEU A 137 129.345 5.755 4.833 1.00 0.00 C ATOM 2132 O LEU A 137 129.371 5.941 3.614 1.00 0.00 O ATOM 2133 CB LEU A 137 127.133 4.596 4.515 1.00 0.00 C ATOM 2134 CG LEU A 137 127.463 3.754 3.282 1.00 0.00 C ATOM 2135 CD1 LEU A 137 127.742 2.311 3.672 1.00 0.00 C ATOM 2136 CD2 LEU A 137 126.327 3.831 2.278 1.00 0.00 C ATOM 0 H LEU A 137 126.974 6.033 6.595 1.00 0.00 H new ATOM 0 HA LEU A 137 128.767 3.890 5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 137 126.328 4.105 5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 137 126.750 5.560 4.182 1.00 0.00 H new ATOM 0 HG LEU A 137 128.364 4.155 2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 137 127.974 1.731 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 137 128.589 2.277 4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 137 126.863 1.889 4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 137 126.572 3.228 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 137 125.412 3.453 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 137 126.180 4.867 1.974 1.00 0.00 H new