USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1032 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 TYR OH : rot -86:sc= 0.35 USER MOD Set 1.2: A 83 CYS SG : rot 61:sc= -1.28! USER MOD Set 2.1: A 11 SER OG : rot -99:sc= 1.34 USER MOD Set 2.2: A 55 ASN : amide:sc= -0.913 X(o=0.42,f=0.48) USER MOD Set 3.1: A 7 LYS NZ :NH3+ 150:sc= 0.489 (180deg=0.189) USER MOD Set 3.2: A 121 GLN : amide:sc= -1.44 K(o=-0.95,f=-5.5!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -94:sc= -0.518 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0429 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 18 GLN : amide:sc= -0.73 K(o=-0.73,f=-6.1!) USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0224) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00924 USER MOD Single : A 33 ASN : amide:sc= -0.136 K(o=-0.14,f=-8.2!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.268 X(o=-0.27,f=0.038) USER MOD Single : A 40 MET CE :methyl -152:sc= -1.02 (180deg=-2.28!) USER MOD Single : A 43 MET CE :methyl 163:sc= 0 (180deg=-0.322) USER MOD Single : A 51 TYR OH : rot 164:sc= 1.3 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.459 USER MOD Single : A 53 HIS :FLIP no HE2:sc= -0.621 F(o=-1.4,f=-0.62) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0559 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= 0.492 (180deg=0.0101) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 150:sc= -0.123 (180deg=-0.728) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -141:sc= 1.35 (180deg=0.523) USER MOD Single : A 110 MET CE :methyl -145:sc= 0 (180deg=-0.126) USER MOD Single : A 113 MET CE :methyl -168:sc= -2.45! (180deg=-3.1!) USER MOD Single : A 114 LYS NZ :NH3+ -158:sc= 1.31 (180deg=1.18) 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 -80:sc= 0.618 USER MOD Single : A 129 LYS NZ :NH3+ 173:sc= -0.292 (180deg=-0.307) USER MOD Single : A 132 CYS SG : rot 76:sc= 0.842 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 149:sc= -0.149 (180deg=-1.22) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 117.086 5.371 -10.774 1.00 0.00 N ATOM 20 CA ALA A 2 116.357 6.053 -9.727 1.00 0.00 C ATOM 21 C ALA A 2 116.661 5.418 -8.381 1.00 0.00 C ATOM 22 O ALA A 2 117.333 4.385 -8.304 1.00 0.00 O ATOM 23 CB ALA A 2 114.863 6.025 -10.010 1.00 0.00 C ATOM 0 HA ALA A 2 116.676 7.095 -9.700 1.00 0.00 H new ATOM 0 HB1 ALA A 2 114.332 6.543 -9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 2 114.663 6.521 -10.960 1.00 0.00 H new ATOM 0 HB3 ALA A 2 114.522 4.991 -10.062 1.00 0.00 H new ATOM 29 N TYR A 3 116.185 6.044 -7.324 1.00 0.00 N ATOM 30 CA TYR A 3 116.386 5.531 -5.984 1.00 0.00 C ATOM 31 C TYR A 3 115.063 5.531 -5.240 1.00 0.00 C ATOM 32 O TYR A 3 114.271 6.464 -5.365 1.00 0.00 O ATOM 33 CB TYR A 3 117.451 6.350 -5.250 1.00 0.00 C ATOM 34 CG TYR A 3 118.823 6.228 -5.883 1.00 0.00 C ATOM 35 CD1 TYR A 3 119.674 5.186 -5.539 1.00 0.00 C ATOM 36 CD2 TYR A 3 119.258 7.139 -6.839 1.00 0.00 C ATOM 37 CE1 TYR A 3 120.918 5.056 -6.124 1.00 0.00 C ATOM 38 CE2 TYR A 3 120.501 7.012 -7.433 1.00 0.00 C ATOM 39 CZ TYR A 3 121.327 5.971 -7.069 1.00 0.00 C ATOM 40 OH TYR A 3 122.565 5.841 -7.657 1.00 0.00 O ATOM 0 H TYR A 3 115.653 6.913 -7.368 1.00 0.00 H new ATOM 0 HA TYR A 3 116.749 4.505 -6.036 1.00 0.00 H new ATOM 0 HB2 TYR A 3 117.153 7.398 -5.238 1.00 0.00 H new ATOM 0 HB3 TYR A 3 117.504 6.022 -4.212 1.00 0.00 H new ATOM 0 HD1 TYR A 3 119.357 4.464 -4.801 1.00 0.00 H new ATOM 0 HD2 TYR A 3 118.615 7.959 -7.123 1.00 0.00 H new ATOM 0 HE1 TYR A 3 121.567 4.241 -5.842 1.00 0.00 H new ATOM 0 HE2 TYR A 3 120.822 7.725 -8.178 1.00 0.00 H new ATOM 0 HH TYR A 3 122.699 6.567 -8.302 1.00 0.00 H new ATOM 50 N TRP A 4 114.810 4.467 -4.497 1.00 0.00 N ATOM 51 CA TRP A 4 113.507 4.255 -3.886 1.00 0.00 C ATOM 52 C TRP A 4 113.655 3.872 -2.419 1.00 0.00 C ATOM 53 O TRP A 4 114.751 3.903 -1.863 1.00 0.00 O ATOM 54 CB TRP A 4 112.754 3.143 -4.633 1.00 0.00 C ATOM 55 CG TRP A 4 112.718 3.332 -6.122 1.00 0.00 C ATOM 56 CD1 TRP A 4 113.602 2.826 -7.035 1.00 0.00 C ATOM 57 CD2 TRP A 4 111.752 4.076 -6.872 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.246 3.215 -8.303 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.114 3.982 -8.230 1.00 0.00 C ATOM 60 CE3 TRP A 4 110.615 4.810 -6.529 1.00 0.00 C ATOM 61 CZ2 TRP A 4 111.381 4.595 -9.240 1.00 0.00 C ATOM 62 CZ3 TRP A 4 109.889 5.421 -7.532 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.274 5.310 -8.875 1.00 0.00 C ATOM 0 H TRP A 4 115.492 3.734 -4.301 1.00 0.00 H new ATOM 0 HA TRP A 4 112.943 5.185 -3.950 1.00 0.00 H new ATOM 0 HB2 TRP A 4 113.223 2.185 -4.409 1.00 0.00 H new ATOM 0 HB3 TRP A 4 111.732 3.093 -4.257 1.00 0.00 H new ATOM 0 HD1 TRP A 4 114.456 2.210 -6.794 1.00 0.00 H new ATOM 0 HE1 TRP A 4 113.744 2.972 -9.160 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.309 4.898 -5.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 111.675 4.510 -10.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.010 5.994 -7.277 1.00 0.00 H new ATOM 0 HH2 TRP A 4 109.685 5.799 -9.637 1.00 0.00 H new ATOM 74 N LEU A 5 112.542 3.516 -1.802 1.00 0.00 N ATOM 75 CA LEU A 5 112.535 3.018 -0.438 1.00 0.00 C ATOM 76 C LEU A 5 111.378 2.040 -0.273 1.00 0.00 C ATOM 77 O LEU A 5 110.224 2.383 -0.543 1.00 0.00 O ATOM 78 CB LEU A 5 112.428 4.192 0.551 1.00 0.00 C ATOM 79 CG LEU A 5 112.532 3.845 2.043 1.00 0.00 C ATOM 80 CD1 LEU A 5 113.004 5.057 2.831 1.00 0.00 C ATOM 81 CD2 LEU A 5 111.191 3.375 2.589 1.00 0.00 C ATOM 0 H LEU A 5 111.618 3.564 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 5 113.466 2.493 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 5 113.212 4.911 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 5 111.475 4.693 0.383 1.00 0.00 H new ATOM 0 HG LEU A 5 113.255 3.036 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 5 113.074 4.799 3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 5 113.983 5.368 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 5 112.293 5.873 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 5 111.293 3.136 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 5 110.451 4.165 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 5 110.868 2.487 2.046 1.00 0.00 H new ATOM 93 N VAL A 6 111.697 0.821 0.145 1.00 0.00 N ATOM 94 CA VAL A 6 110.695 -0.222 0.320 1.00 0.00 C ATOM 95 C VAL A 6 110.450 -0.480 1.801 1.00 0.00 C ATOM 96 O VAL A 6 111.387 -0.504 2.603 1.00 0.00 O ATOM 97 CB VAL A 6 111.103 -1.540 -0.381 1.00 0.00 C ATOM 98 CG1 VAL A 6 111.118 -1.359 -1.891 1.00 0.00 C ATOM 99 CG2 VAL A 6 112.461 -2.028 0.108 1.00 0.00 C ATOM 0 H VAL A 6 112.648 0.530 0.370 1.00 0.00 H new ATOM 0 HA VAL A 6 109.775 0.133 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 6 110.361 -2.297 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 6 111.407 -2.296 -2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 6 110.124 -1.070 -2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 6 111.834 -0.581 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.720 -2.955 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 6 113.217 -1.273 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 6 112.419 -2.205 1.183 1.00 0.00 H new ATOM 109 N LYS A 7 109.188 -0.656 2.162 1.00 0.00 N ATOM 110 CA LYS A 7 108.811 -0.845 3.554 1.00 0.00 C ATOM 111 C LYS A 7 108.338 -2.272 3.800 1.00 0.00 C ATOM 112 O LYS A 7 107.358 -2.729 3.210 1.00 0.00 O ATOM 113 CB LYS A 7 107.726 0.162 3.934 1.00 0.00 C ATOM 114 CG LYS A 7 108.147 1.598 3.670 1.00 0.00 C ATOM 115 CD LYS A 7 107.037 2.587 3.962 1.00 0.00 C ATOM 116 CE LYS A 7 107.479 4.003 3.633 1.00 0.00 C ATOM 117 NZ LYS A 7 106.405 4.997 3.883 1.00 0.00 N ATOM 0 H LYS A 7 108.406 -0.672 1.508 1.00 0.00 H new ATOM 0 HA LYS A 7 109.685 -0.675 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 7 106.819 -0.057 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 7 107.481 0.047 4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 7 109.015 1.838 4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 7 108.455 1.698 2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 7 106.153 2.332 3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 7 106.754 2.524 5.013 1.00 0.00 H new ATOM 0 HE2 LYS A 7 108.354 4.257 4.232 1.00 0.00 H new ATOM 0 HE3 LYS A 7 107.783 4.054 2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 106.830 5.909 4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 105.834 5.115 3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 105.797 4.664 4.658 1.00 0.00 H new ATOM 131 N SER A 8 109.050 -2.970 4.669 1.00 0.00 N ATOM 132 CA SER A 8 108.748 -4.357 4.981 1.00 0.00 C ATOM 133 C SER A 8 108.752 -4.573 6.490 1.00 0.00 C ATOM 134 O SER A 8 109.505 -3.925 7.213 1.00 0.00 O ATOM 135 CB SER A 8 109.777 -5.275 4.311 1.00 0.00 C ATOM 136 OG SER A 8 109.578 -6.634 4.665 1.00 0.00 O ATOM 0 H SER A 8 109.851 -2.593 5.176 1.00 0.00 H new ATOM 0 HA SER A 8 107.755 -4.598 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 8 109.710 -5.168 3.228 1.00 0.00 H new ATOM 0 HB3 SER A 8 110.782 -4.967 4.600 1.00 0.00 H new ATOM 0 HG SER A 8 110.147 -6.859 5.430 1.00 0.00 H new ATOM 142 N GLU A 9 107.915 -5.484 6.961 1.00 0.00 N ATOM 143 CA GLU A 9 107.830 -5.782 8.382 1.00 0.00 C ATOM 144 C GLU A 9 108.640 -7.034 8.706 1.00 0.00 C ATOM 145 O GLU A 9 108.420 -8.092 8.114 1.00 0.00 O ATOM 146 CB GLU A 9 106.366 -5.969 8.797 1.00 0.00 C ATOM 147 CG GLU A 9 105.498 -4.756 8.504 1.00 0.00 C ATOM 148 CD GLU A 9 104.047 -4.958 8.890 1.00 0.00 C ATOM 149 OE1 GLU A 9 103.278 -5.499 8.070 1.00 0.00 O ATOM 150 OE2 GLU A 9 103.663 -4.560 10.006 1.00 0.00 O ATOM 0 H GLU A 9 107.283 -6.032 6.377 1.00 0.00 H new ATOM 0 HA GLU A 9 108.245 -4.945 8.943 1.00 0.00 H new ATOM 0 HB2 GLU A 9 105.956 -6.835 8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 9 106.323 -6.188 9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 9 105.894 -3.894 9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 9 105.556 -4.523 7.441 1.00 0.00 H new ATOM 157 N PRO A 10 109.582 -6.930 9.666 1.00 0.00 N ATOM 158 CA PRO A 10 110.465 -8.044 10.057 1.00 0.00 C ATOM 159 C PRO A 10 109.684 -9.216 10.635 1.00 0.00 C ATOM 160 O PRO A 10 110.193 -10.333 10.726 1.00 0.00 O ATOM 161 CB PRO A 10 111.375 -7.430 11.125 1.00 0.00 C ATOM 162 CG PRO A 10 110.635 -6.240 11.627 1.00 0.00 C ATOM 163 CD PRO A 10 109.847 -5.718 10.460 1.00 0.00 C ATOM 0 HA PRO A 10 111.009 -8.450 9.204 1.00 0.00 H new ATOM 0 HB2 PRO A 10 111.573 -8.139 11.929 1.00 0.00 H new ATOM 0 HB3 PRO A 10 112.340 -7.146 10.705 1.00 0.00 H new ATOM 0 HG2 PRO A 10 109.977 -6.510 12.453 1.00 0.00 H new ATOM 0 HG3 PRO A 10 111.323 -5.483 12.003 1.00 0.00 H new ATOM 0 HD2 PRO A 10 108.923 -5.236 10.781 1.00 0.00 H new ATOM 0 HD3 PRO A 10 110.411 -4.979 9.891 1.00 0.00 H new ATOM 171 N SER A 11 108.442 -8.941 11.020 1.00 0.00 N ATOM 172 CA SER A 11 107.531 -9.964 11.501 1.00 0.00 C ATOM 173 C SER A 11 107.324 -11.028 10.424 1.00 0.00 C ATOM 174 O SER A 11 107.079 -12.195 10.723 1.00 0.00 O ATOM 175 CB SER A 11 106.197 -9.314 11.861 1.00 0.00 C ATOM 176 OG SER A 11 106.406 -8.020 12.407 1.00 0.00 O ATOM 0 H SER A 11 108.043 -8.003 11.006 1.00 0.00 H new ATOM 0 HA SER A 11 107.952 -10.443 12.385 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.569 -9.243 10.973 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.664 -9.937 12.580 1.00 0.00 H new ATOM 0 HG SER A 11 106.365 -8.067 13.385 1.00 0.00 H new ATOM 182 N VAL A 12 107.437 -10.605 9.170 1.00 0.00 N ATOM 183 CA VAL A 12 107.313 -11.506 8.039 1.00 0.00 C ATOM 184 C VAL A 12 108.663 -11.666 7.348 1.00 0.00 C ATOM 185 O VAL A 12 109.228 -12.759 7.315 1.00 0.00 O ATOM 186 CB VAL A 12 106.276 -10.995 7.015 1.00 0.00 C ATOM 187 CG1 VAL A 12 106.118 -11.981 5.867 1.00 0.00 C ATOM 188 CG2 VAL A 12 104.936 -10.734 7.688 1.00 0.00 C ATOM 0 H VAL A 12 107.616 -9.634 8.914 1.00 0.00 H new ATOM 0 HA VAL A 12 106.973 -12.468 8.422 1.00 0.00 H new ATOM 0 HB VAL A 12 106.641 -10.053 6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 12 105.383 -11.600 5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 12 107.076 -12.109 5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 12 105.782 -12.942 6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 12 104.221 -10.375 6.948 1.00 0.00 H new ATOM 0 HG22 VAL A 12 104.566 -11.658 8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 12 105.060 -9.982 8.467 1.00 0.00 H new ATOM 198 N TRP A 13 109.195 -10.565 6.832 1.00 0.00 N ATOM 199 CA TRP A 13 110.434 -10.605 6.072 1.00 0.00 C ATOM 200 C TRP A 13 111.546 -9.874 6.819 1.00 0.00 C ATOM 201 O TRP A 13 111.412 -8.698 7.171 1.00 0.00 O ATOM 202 CB TRP A 13 110.223 -9.981 4.690 1.00 0.00 C ATOM 203 CG TRP A 13 111.327 -10.289 3.726 1.00 0.00 C ATOM 204 CD1 TRP A 13 112.531 -9.659 3.630 1.00 0.00 C ATOM 205 CD2 TRP A 13 111.324 -11.307 2.721 1.00 0.00 C ATOM 206 NE1 TRP A 13 113.280 -10.224 2.628 1.00 0.00 N ATOM 207 CE2 TRP A 13 112.560 -11.238 2.054 1.00 0.00 C ATOM 208 CE3 TRP A 13 110.397 -12.275 2.324 1.00 0.00 C ATOM 209 CZ2 TRP A 13 112.894 -12.099 1.014 1.00 0.00 C ATOM 210 CZ3 TRP A 13 110.726 -13.125 1.286 1.00 0.00 C ATOM 211 CH2 TRP A 13 111.966 -13.033 0.643 1.00 0.00 C ATOM 0 H TRP A 13 108.787 -9.635 6.927 1.00 0.00 H new ATOM 0 HA TRP A 13 110.732 -11.646 5.947 1.00 0.00 H new ATOM 0 HB2 TRP A 13 109.280 -10.339 4.278 1.00 0.00 H new ATOM 0 HB3 TRP A 13 110.134 -8.900 4.797 1.00 0.00 H new ATOM 0 HD1 TRP A 13 112.850 -8.835 4.252 1.00 0.00 H new ATOM 0 HE1 TRP A 13 114.220 -9.936 2.355 1.00 0.00 H new ATOM 0 HE3 TRP A 13 109.441 -12.357 2.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 113.851 -12.033 0.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 110.015 -13.872 0.965 1.00 0.00 H new ATOM 0 HH2 TRP A 13 112.195 -13.714 -0.163 1.00 0.00 H new ATOM 222 N SER A 14 112.645 -10.569 7.052 1.00 0.00 N ATOM 223 CA SER A 14 113.750 -10.010 7.813 1.00 0.00 C ATOM 224 C SER A 14 114.906 -9.626 6.886 1.00 0.00 C ATOM 225 O SER A 14 114.952 -10.046 5.729 1.00 0.00 O ATOM 226 CB SER A 14 114.200 -11.013 8.879 1.00 0.00 C ATOM 227 OG SER A 14 115.252 -10.497 9.674 1.00 0.00 O ATOM 0 H SER A 14 112.797 -11.523 6.725 1.00 0.00 H new ATOM 0 HA SER A 14 113.417 -9.100 8.312 1.00 0.00 H new ATOM 0 HB2 SER A 14 113.354 -11.270 9.517 1.00 0.00 H new ATOM 0 HB3 SER A 14 114.527 -11.934 8.397 1.00 0.00 H new ATOM 0 HG SER A 14 115.512 -11.163 10.344 1.00 0.00 H new ATOM 233 N TRP A 15 115.833 -8.826 7.402 1.00 0.00 N ATOM 234 CA TRP A 15 116.930 -8.288 6.605 1.00 0.00 C ATOM 235 C TRP A 15 117.922 -9.377 6.200 1.00 0.00 C ATOM 236 O TRP A 15 118.297 -9.472 5.031 1.00 0.00 O ATOM 237 CB TRP A 15 117.632 -7.175 7.391 1.00 0.00 C ATOM 238 CG TRP A 15 118.880 -6.641 6.752 1.00 0.00 C ATOM 239 CD1 TRP A 15 120.098 -6.509 7.352 1.00 0.00 C ATOM 240 CD2 TRP A 15 119.042 -6.167 5.406 1.00 0.00 C ATOM 241 NE1 TRP A 15 121.004 -5.980 6.471 1.00 0.00 N ATOM 242 CE2 TRP A 15 120.383 -5.763 5.269 1.00 0.00 C ATOM 243 CE3 TRP A 15 118.187 -6.040 4.305 1.00 0.00 C ATOM 244 CZ2 TRP A 15 120.888 -5.244 4.080 1.00 0.00 C ATOM 245 CZ3 TRP A 15 118.693 -5.530 3.123 1.00 0.00 C ATOM 246 CH2 TRP A 15 120.032 -5.136 3.020 1.00 0.00 C ATOM 0 H TRP A 15 115.846 -8.533 8.379 1.00 0.00 H new ATOM 0 HA TRP A 15 116.518 -7.876 5.684 1.00 0.00 H new ATOM 0 HB2 TRP A 15 116.932 -6.351 7.531 1.00 0.00 H new ATOM 0 HB3 TRP A 15 117.882 -7.552 8.383 1.00 0.00 H new ATOM 0 HD1 TRP A 15 120.316 -6.782 8.374 1.00 0.00 H new ATOM 0 HE1 TRP A 15 121.983 -5.780 6.677 1.00 0.00 H new ATOM 0 HE3 TRP A 15 117.151 -6.335 4.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 121.920 -4.937 3.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 118.044 -5.434 2.265 1.00 0.00 H new ATOM 0 HH2 TRP A 15 120.396 -4.739 2.084 1.00 0.00 H new ATOM 257 N ASP A 16 118.325 -10.209 7.159 1.00 0.00 N ATOM 258 CA ASP A 16 119.301 -11.275 6.901 1.00 0.00 C ATOM 259 C ASP A 16 118.804 -12.220 5.810 1.00 0.00 C ATOM 260 O ASP A 16 119.593 -12.786 5.050 1.00 0.00 O ATOM 261 CB ASP A 16 119.588 -12.060 8.185 1.00 0.00 C ATOM 262 CG ASP A 16 120.587 -13.184 7.974 1.00 0.00 C ATOM 263 OD1 ASP A 16 121.789 -12.895 7.782 1.00 0.00 O ATOM 264 OD2 ASP A 16 120.179 -14.363 8.011 1.00 0.00 O ATOM 0 H ASP A 16 117.993 -10.168 8.123 1.00 0.00 H new ATOM 0 HA ASP A 16 120.224 -10.809 6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 16 119.970 -11.378 8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 16 118.656 -12.475 8.568 1.00 0.00 H new ATOM 269 N GLN A 17 117.485 -12.355 5.726 1.00 0.00 N ATOM 270 CA GLN A 17 116.845 -13.190 4.717 1.00 0.00 C ATOM 271 C GLN A 17 117.194 -12.700 3.308 1.00 0.00 C ATOM 272 O GLN A 17 117.352 -13.494 2.382 1.00 0.00 O ATOM 273 CB GLN A 17 115.331 -13.180 4.945 1.00 0.00 C ATOM 274 CG GLN A 17 114.529 -13.985 3.938 1.00 0.00 C ATOM 275 CD GLN A 17 113.080 -14.144 4.357 1.00 0.00 C ATOM 276 OE1 GLN A 17 112.527 -13.296 5.058 1.00 0.00 O ATOM 277 NE2 GLN A 17 112.456 -15.230 3.928 1.00 0.00 N ATOM 0 H GLN A 17 116.831 -11.889 6.355 1.00 0.00 H new ATOM 0 HA GLN A 17 117.211 -14.213 4.806 1.00 0.00 H new ATOM 0 HB2 GLN A 17 115.126 -13.566 5.943 1.00 0.00 H new ATOM 0 HB3 GLN A 17 114.982 -12.148 4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 17 114.573 -13.495 2.966 1.00 0.00 H new ATOM 0 HG3 GLN A 17 114.981 -14.970 3.819 1.00 0.00 H new ATOM 0 HE21 GLN A 17 112.952 -15.908 3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 17 111.480 -15.389 4.177 1.00 0.00 H new ATOM 286 N GLN A 18 117.344 -11.390 3.163 1.00 0.00 N ATOM 287 CA GLN A 18 117.716 -10.801 1.883 1.00 0.00 C ATOM 288 C GLN A 18 119.231 -10.782 1.717 1.00 0.00 C ATOM 289 O GLN A 18 119.738 -10.968 0.614 1.00 0.00 O ATOM 290 CB GLN A 18 117.170 -9.376 1.767 1.00 0.00 C ATOM 291 CG GLN A 18 116.135 -9.199 0.668 1.00 0.00 C ATOM 292 CD GLN A 18 116.681 -9.477 -0.720 1.00 0.00 C ATOM 293 OE1 GLN A 18 117.865 -9.292 -0.990 1.00 0.00 O ATOM 294 NE2 GLN A 18 115.814 -9.917 -1.615 1.00 0.00 N ATOM 0 H GLN A 18 117.214 -10.715 3.916 1.00 0.00 H new ATOM 0 HA GLN A 18 117.281 -11.415 1.094 1.00 0.00 H new ATOM 0 HB2 GLN A 18 116.726 -9.089 2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 18 118.000 -8.693 1.584 1.00 0.00 H new ATOM 0 HG2 GLN A 18 115.294 -9.865 0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 18 115.749 -8.180 0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 18 114.838 -10.059 -1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 18 116.120 -10.115 -2.567 1.00 0.00 H new ATOM 303 N VAL A 19 119.950 -10.564 2.817 1.00 0.00 N ATOM 304 CA VAL A 19 121.411 -10.491 2.781 1.00 0.00 C ATOM 305 C VAL A 19 122.006 -11.752 2.159 1.00 0.00 C ATOM 306 O VAL A 19 122.915 -11.679 1.326 1.00 0.00 O ATOM 307 CB VAL A 19 122.014 -10.296 4.190 1.00 0.00 C ATOM 308 CG1 VAL A 19 123.528 -10.170 4.118 1.00 0.00 C ATOM 309 CG2 VAL A 19 121.418 -9.076 4.866 1.00 0.00 C ATOM 0 H VAL A 19 119.545 -10.435 3.744 1.00 0.00 H new ATOM 0 HA VAL A 19 121.663 -9.625 2.169 1.00 0.00 H new ATOM 0 HB VAL A 19 121.769 -11.176 4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 19 123.930 -10.033 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 19 123.948 -11.075 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 19 123.793 -9.311 3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 19 121.857 -8.958 5.857 1.00 0.00 H new ATOM 0 HG22 VAL A 19 121.629 -8.189 4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 19 120.339 -9.203 4.960 1.00 0.00 H new ATOM 319 N ALA A 20 121.474 -12.902 2.549 1.00 0.00 N ATOM 320 CA ALA A 20 121.948 -14.178 2.036 1.00 0.00 C ATOM 321 C ALA A 20 121.591 -14.351 0.560 1.00 0.00 C ATOM 322 O ALA A 20 122.208 -15.144 -0.151 1.00 0.00 O ATOM 323 CB ALA A 20 121.372 -15.322 2.858 1.00 0.00 C ATOM 0 H ALA A 20 120.711 -12.976 3.222 1.00 0.00 H new ATOM 0 HA ALA A 20 123.035 -14.192 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 20 121.734 -16.272 2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 20 121.685 -15.217 3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 20 120.284 -15.298 2.803 1.00 0.00 H new ATOM 329 N LYS A 21 120.603 -13.594 0.098 1.00 0.00 N ATOM 330 CA LYS A 21 120.133 -13.701 -1.277 1.00 0.00 C ATOM 331 C LYS A 21 120.590 -12.506 -2.104 1.00 0.00 C ATOM 332 O LYS A 21 120.093 -12.286 -3.205 1.00 0.00 O ATOM 333 CB LYS A 21 118.605 -13.792 -1.314 1.00 0.00 C ATOM 334 CG LYS A 21 118.047 -14.936 -0.490 1.00 0.00 C ATOM 335 CD LYS A 21 116.527 -14.982 -0.546 1.00 0.00 C ATOM 336 CE LYS A 21 116.020 -15.653 -1.814 1.00 0.00 C ATOM 337 NZ LYS A 21 116.170 -17.132 -1.762 1.00 0.00 N ATOM 0 H LYS A 21 120.111 -12.898 0.658 1.00 0.00 H new ATOM 0 HA LYS A 21 120.560 -14.608 -1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 21 118.184 -12.854 -0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 21 118.281 -13.908 -2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 21 118.453 -15.879 -0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 21 118.370 -14.830 0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 21 116.149 -15.519 0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 21 116.132 -13.968 -0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 21 114.970 -15.400 -1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 21 116.566 -15.264 -2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 115.736 -17.555 -2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 117.180 -17.378 -1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 115.699 -17.499 -0.911 1.00 0.00 H new ATOM 351 N GLY A 22 121.559 -11.760 -1.585 1.00 0.00 N ATOM 352 CA GLY A 22 122.037 -10.568 -2.268 1.00 0.00 C ATOM 353 C GLY A 22 122.754 -10.874 -3.572 1.00 0.00 C ATOM 354 O GLY A 22 123.089 -9.966 -4.333 1.00 0.00 O ATOM 0 H GLY A 22 122.025 -11.959 -0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 22 121.192 -9.910 -2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 22 122.713 -10.025 -1.608 1.00 0.00 H new ATOM 358 N ALA A 23 122.993 -12.151 -3.831 1.00 0.00 N ATOM 359 CA ALA A 23 123.652 -12.570 -5.058 1.00 0.00 C ATOM 360 C ALA A 23 122.636 -12.987 -6.119 1.00 0.00 C ATOM 361 O ALA A 23 122.805 -12.690 -7.303 1.00 0.00 O ATOM 362 CB ALA A 23 124.615 -13.709 -4.771 1.00 0.00 C ATOM 0 H ALA A 23 122.740 -12.916 -3.206 1.00 0.00 H new ATOM 0 HA ALA A 23 124.212 -11.720 -5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 23 125.103 -14.015 -5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 23 125.368 -13.377 -4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 23 124.066 -14.553 -4.354 1.00 0.00 H new ATOM 368 N ALA A 24 121.572 -13.664 -5.694 1.00 0.00 N ATOM 369 CA ALA A 24 120.582 -14.182 -6.632 1.00 0.00 C ATOM 370 C ALA A 24 119.394 -13.237 -6.765 1.00 0.00 C ATOM 371 O ALA A 24 118.787 -13.129 -7.832 1.00 0.00 O ATOM 372 CB ALA A 24 120.113 -15.561 -6.195 1.00 0.00 C ATOM 0 H ALA A 24 121.375 -13.865 -4.714 1.00 0.00 H new ATOM 0 HA ALA A 24 121.057 -14.261 -7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 24 119.375 -15.936 -6.904 1.00 0.00 H new ATOM 0 HB2 ALA A 24 120.964 -16.242 -6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 24 119.664 -15.495 -5.204 1.00 0.00 H new ATOM 378 N GLY A 25 119.074 -12.549 -5.679 1.00 0.00 N ATOM 379 CA GLY A 25 117.925 -11.674 -5.669 1.00 0.00 C ATOM 380 C GLY A 25 116.653 -12.419 -5.328 1.00 0.00 C ATOM 381 O GLY A 25 116.604 -13.649 -5.407 1.00 0.00 O ATOM 0 H GLY A 25 119.594 -12.583 -4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 25 118.083 -10.875 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 25 117.819 -11.202 -6.646 1.00 0.00 H new ATOM 385 N GLU A 26 115.628 -11.684 -4.942 1.00 0.00 N ATOM 386 CA GLU A 26 114.345 -12.274 -4.604 1.00 0.00 C ATOM 387 C GLU A 26 113.219 -11.443 -5.203 1.00 0.00 C ATOM 388 O GLU A 26 113.339 -10.222 -5.331 1.00 0.00 O ATOM 389 CB GLU A 26 114.188 -12.373 -3.081 1.00 0.00 C ATOM 390 CG GLU A 26 112.875 -12.994 -2.632 1.00 0.00 C ATOM 391 CD GLU A 26 112.691 -14.410 -3.140 1.00 0.00 C ATOM 392 OE1 GLU A 26 112.308 -14.579 -4.313 1.00 0.00 O ATOM 393 OE2 GLU A 26 112.934 -15.357 -2.367 1.00 0.00 O ATOM 0 H GLU A 26 115.659 -10.668 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 26 114.298 -13.281 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 26 115.012 -12.962 -2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 26 114.271 -11.374 -2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 26 112.833 -12.995 -1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 26 112.048 -12.377 -2.982 1.00 0.00 H new ATOM 400 N ALA A 27 112.131 -12.104 -5.561 1.00 0.00 N ATOM 401 CA ALA A 27 110.999 -11.435 -6.169 1.00 0.00 C ATOM 402 C ALA A 27 110.108 -10.825 -5.098 1.00 0.00 C ATOM 403 O ALA A 27 109.529 -11.536 -4.274 1.00 0.00 O ATOM 404 CB ALA A 27 110.210 -12.413 -7.026 1.00 0.00 C ATOM 0 H ALA A 27 112.010 -13.109 -5.439 1.00 0.00 H new ATOM 0 HA ALA A 27 111.368 -10.633 -6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 27 109.362 -11.899 -7.478 1.00 0.00 H new ATOM 0 HB2 ALA A 27 110.854 -12.810 -7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 27 109.849 -13.232 -6.404 1.00 0.00 H new ATOM 410 N TRP A 28 110.008 -9.504 -5.112 1.00 0.00 N ATOM 411 CA TRP A 28 109.194 -8.782 -4.146 1.00 0.00 C ATOM 412 C TRP A 28 107.728 -8.839 -4.571 1.00 0.00 C ATOM 413 O TRP A 28 107.171 -7.867 -5.082 1.00 0.00 O ATOM 414 CB TRP A 28 109.683 -7.334 -4.037 1.00 0.00 C ATOM 415 CG TRP A 28 109.192 -6.604 -2.822 1.00 0.00 C ATOM 416 CD1 TRP A 28 108.446 -5.460 -2.796 1.00 0.00 C ATOM 417 CD2 TRP A 28 109.418 -6.968 -1.455 1.00 0.00 C ATOM 418 NE1 TRP A 28 108.203 -5.085 -1.496 1.00 0.00 N ATOM 419 CE2 TRP A 28 108.785 -5.998 -0.654 1.00 0.00 C ATOM 420 CE3 TRP A 28 110.094 -8.020 -0.830 1.00 0.00 C ATOM 421 CZ2 TRP A 28 108.811 -6.049 0.737 1.00 0.00 C ATOM 422 CZ3 TRP A 28 110.117 -8.071 0.550 1.00 0.00 C ATOM 423 CH2 TRP A 28 109.479 -7.092 1.321 1.00 0.00 C ATOM 0 H TRP A 28 110.485 -8.907 -5.788 1.00 0.00 H new ATOM 0 HA TRP A 28 109.286 -9.246 -3.164 1.00 0.00 H new ATOM 0 HB2 TRP A 28 110.773 -7.331 -4.032 1.00 0.00 H new ATOM 0 HB3 TRP A 28 109.367 -6.789 -4.926 1.00 0.00 H new ATOM 0 HD1 TRP A 28 108.098 -4.928 -3.669 1.00 0.00 H new ATOM 0 HE1 TRP A 28 107.676 -4.262 -1.205 1.00 0.00 H new ATOM 0 HE3 TRP A 28 110.590 -8.780 -1.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 108.322 -5.293 1.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 110.636 -8.880 1.043 1.00 0.00 H new ATOM 0 HH2 TRP A 28 109.514 -7.161 2.398 1.00 0.00 H new ATOM 434 N THR A 29 107.129 -10.009 -4.403 1.00 0.00 N ATOM 435 CA THR A 29 105.781 -10.269 -4.883 1.00 0.00 C ATOM 436 C THR A 29 104.729 -9.954 -3.829 1.00 0.00 C ATOM 437 O THR A 29 105.030 -9.867 -2.635 1.00 0.00 O ATOM 438 CB THR A 29 105.634 -11.742 -5.311 1.00 0.00 C ATOM 439 OG1 THR A 29 106.145 -12.603 -4.282 1.00 0.00 O ATOM 440 CG2 THR A 29 106.372 -12.012 -6.612 1.00 0.00 C ATOM 0 H THR A 29 107.563 -10.802 -3.931 1.00 0.00 H new ATOM 0 HA THR A 29 105.620 -9.614 -5.739 1.00 0.00 H new ATOM 0 HB THR A 29 104.574 -11.944 -5.468 1.00 0.00 H new ATOM 0 HG1 THR A 29 106.047 -13.538 -4.559 1.00 0.00 H new ATOM 0 HG21 THR A 29 106.250 -13.059 -6.889 1.00 0.00 H new ATOM 0 HG22 THR A 29 105.964 -11.379 -7.400 1.00 0.00 H new ATOM 0 HG23 THR A 29 107.432 -11.792 -6.482 1.00 0.00 H new ATOM 448 N GLY A 30 103.494 -9.788 -4.278 1.00 0.00 N ATOM 449 CA GLY A 30 102.391 -9.578 -3.363 1.00 0.00 C ATOM 450 C GLY A 30 101.964 -8.131 -3.297 1.00 0.00 C ATOM 451 O GLY A 30 101.153 -7.750 -2.448 1.00 0.00 O ATOM 0 H GLY A 30 103.235 -9.795 -5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 30 101.544 -10.190 -3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 30 102.680 -9.914 -2.367 1.00 0.00 H new ATOM 455 N VAL A 31 102.507 -7.322 -4.193 1.00 0.00 N ATOM 456 CA VAL A 31 102.174 -5.910 -4.243 1.00 0.00 C ATOM 457 C VAL A 31 100.892 -5.676 -5.038 1.00 0.00 C ATOM 458 O VAL A 31 100.902 -5.559 -6.262 1.00 0.00 O ATOM 459 CB VAL A 31 103.329 -5.064 -4.823 1.00 0.00 C ATOM 460 CG1 VAL A 31 104.426 -4.884 -3.783 1.00 0.00 C ATOM 461 CG2 VAL A 31 103.896 -5.709 -6.079 1.00 0.00 C ATOM 0 H VAL A 31 103.182 -7.622 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 31 102.010 -5.586 -3.215 1.00 0.00 H new ATOM 0 HB VAL A 31 102.932 -4.085 -5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 31 105.233 -4.286 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 31 104.018 -4.377 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 31 104.813 -5.860 -3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 31 104.708 -5.095 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 31 104.276 -6.702 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 31 103.111 -5.793 -6.831 1.00 0.00 H new ATOM 471 N ARG A 32 99.779 -5.634 -4.324 1.00 0.00 N ATOM 472 CA ARG A 32 98.484 -5.412 -4.942 1.00 0.00 C ATOM 473 C ARG A 32 98.055 -3.963 -4.719 1.00 0.00 C ATOM 474 O ARG A 32 96.947 -3.552 -5.073 1.00 0.00 O ATOM 475 CB ARG A 32 97.460 -6.404 -4.379 1.00 0.00 C ATOM 476 CG ARG A 32 96.168 -6.476 -5.176 1.00 0.00 C ATOM 477 CD ARG A 32 95.353 -7.708 -4.817 1.00 0.00 C ATOM 478 NE ARG A 32 96.061 -8.949 -5.142 1.00 0.00 N ATOM 479 CZ ARG A 32 95.466 -10.138 -5.270 1.00 0.00 C ATOM 480 NH1 ARG A 32 94.154 -10.251 -5.103 1.00 0.00 N ATOM 481 NH2 ARG A 32 96.188 -11.218 -5.552 1.00 0.00 N ATOM 0 H ARG A 32 99.748 -5.751 -3.311 1.00 0.00 H new ATOM 0 HA ARG A 32 98.549 -5.582 -6.017 1.00 0.00 H new ATOM 0 HB2 ARG A 32 97.910 -7.396 -4.346 1.00 0.00 H new ATOM 0 HB3 ARG A 32 97.226 -6.125 -3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 32 95.575 -5.581 -4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 32 96.398 -6.490 -6.241 1.00 0.00 H new ATOM 0 HD2 ARG A 32 95.121 -7.691 -3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 32 94.403 -7.682 -5.351 1.00 0.00 H new ATOM 0 HE ARG A 32 97.071 -8.902 -5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 32 93.596 -9.428 -4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 32 93.704 -11.161 -5.202 1.00 0.00 H new ATOM 0 HH21 ARG A 32 97.198 -11.139 -5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 32 95.732 -12.125 -5.649 1.00 0.00 H new ATOM 495 N ASN A 33 98.952 -3.194 -4.117 1.00 0.00 N ATOM 496 CA ASN A 33 98.767 -1.757 -3.964 1.00 0.00 C ATOM 497 C ASN A 33 99.039 -1.076 -5.302 1.00 0.00 C ATOM 498 O ASN A 33 100.121 -1.226 -5.874 1.00 0.00 O ATOM 499 CB ASN A 33 99.713 -1.220 -2.876 1.00 0.00 C ATOM 500 CG ASN A 33 99.532 0.263 -2.581 1.00 0.00 C ATOM 501 OD1 ASN A 33 99.161 1.052 -3.448 1.00 0.00 O ATOM 502 ND2 ASN A 33 99.806 0.656 -1.347 1.00 0.00 N ATOM 0 H ASN A 33 99.824 -3.546 -3.723 1.00 0.00 H new ATOM 0 HA ASN A 33 97.743 -1.544 -3.658 1.00 0.00 H new ATOM 0 HB2 ASN A 33 99.554 -1.786 -1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 33 100.743 -1.396 -3.184 1.00 0.00 H new ATOM 0 HD21 ASN A 33 99.711 1.639 -1.092 1.00 0.00 H new ATOM 0 HD22 ASN A 33 100.112 -0.024 -0.651 1.00 0.00 H new ATOM 509 N HIS A 34 98.061 -0.327 -5.795 1.00 0.00 N ATOM 510 CA HIS A 34 98.147 0.269 -7.122 1.00 0.00 C ATOM 511 C HIS A 34 99.281 1.291 -7.200 1.00 0.00 C ATOM 512 O HIS A 34 99.956 1.397 -8.224 1.00 0.00 O ATOM 513 CB HIS A 34 96.816 0.930 -7.493 1.00 0.00 C ATOM 514 CG HIS A 34 96.672 1.233 -8.955 1.00 0.00 C ATOM 515 ND1 HIS A 34 95.884 0.483 -9.796 1.00 0.00 N ATOM 516 CD2 HIS A 34 97.206 2.213 -9.721 1.00 0.00 C ATOM 517 CE1 HIS A 34 95.939 0.984 -11.014 1.00 0.00 C ATOM 518 NE2 HIS A 34 96.735 2.037 -10.999 1.00 0.00 N ATOM 0 H HIS A 34 97.197 -0.117 -5.295 1.00 0.00 H new ATOM 0 HA HIS A 34 98.362 -0.528 -7.834 1.00 0.00 H new ATOM 0 HB2 HIS A 34 95.999 0.277 -7.186 1.00 0.00 H new ATOM 0 HB3 HIS A 34 96.712 1.857 -6.928 1.00 0.00 H new ATOM 0 HD2 HIS A 34 97.878 2.990 -9.388 1.00 0.00 H new ATOM 0 HE1 HIS A 34 95.420 0.598 -11.879 1.00 0.00 H new ATOM 0 HE2 HIS A 34 96.962 2.622 -11.803 1.00 0.00 H new ATOM 527 N SER A 35 99.503 2.025 -6.116 1.00 0.00 N ATOM 528 CA SER A 35 100.530 3.056 -6.097 1.00 0.00 C ATOM 529 C SER A 35 101.920 2.429 -6.020 1.00 0.00 C ATOM 530 O SER A 35 102.899 2.998 -6.507 1.00 0.00 O ATOM 531 CB SER A 35 100.297 4.009 -4.926 1.00 0.00 C ATOM 532 OG SER A 35 98.982 4.543 -4.971 1.00 0.00 O ATOM 0 H SER A 35 98.987 1.925 -5.242 1.00 0.00 H new ATOM 0 HA SER A 35 100.470 3.627 -7.024 1.00 0.00 H new ATOM 0 HB2 SER A 35 100.449 3.481 -3.985 1.00 0.00 H new ATOM 0 HB3 SER A 35 101.026 4.819 -4.959 1.00 0.00 H new ATOM 0 HG SER A 35 98.849 5.150 -4.213 1.00 0.00 H new ATOM 538 N ALA A 36 101.999 1.243 -5.424 1.00 0.00 N ATOM 539 CA ALA A 36 103.248 0.495 -5.383 1.00 0.00 C ATOM 540 C ALA A 36 103.621 0.055 -6.791 1.00 0.00 C ATOM 541 O ALA A 36 104.763 0.216 -7.225 1.00 0.00 O ATOM 542 CB ALA A 36 103.127 -0.705 -4.456 1.00 0.00 C ATOM 0 H ALA A 36 101.214 0.781 -4.964 1.00 0.00 H new ATOM 0 HA ALA A 36 104.036 1.138 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 36 104.071 -1.249 -4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 36 102.888 -0.364 -3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 36 102.335 -1.363 -4.814 1.00 0.00 H new ATOM 548 N LYS A 37 102.631 -0.474 -7.503 1.00 0.00 N ATOM 549 CA LYS A 37 102.781 -0.830 -8.910 1.00 0.00 C ATOM 550 C LYS A 37 103.235 0.375 -9.728 1.00 0.00 C ATOM 551 O LYS A 37 104.146 0.273 -10.547 1.00 0.00 O ATOM 552 CB LYS A 37 101.444 -1.352 -9.453 1.00 0.00 C ATOM 553 CG LYS A 37 101.306 -1.254 -10.968 1.00 0.00 C ATOM 554 CD LYS A 37 99.871 -1.491 -11.404 1.00 0.00 C ATOM 555 CE LYS A 37 99.616 -0.979 -12.816 1.00 0.00 C ATOM 556 NZ LYS A 37 100.338 -1.762 -13.855 1.00 0.00 N ATOM 0 H LYS A 37 101.705 -0.668 -7.122 1.00 0.00 H new ATOM 0 HA LYS A 37 103.540 -1.608 -8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.325 -2.394 -9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 37 100.632 -0.793 -8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 37 101.633 -0.270 -11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 37 101.959 -1.986 -11.444 1.00 0.00 H new ATOM 0 HD2 LYS A 37 99.649 -2.557 -11.358 1.00 0.00 H new ATOM 0 HD3 LYS A 37 99.193 -0.994 -10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 37 98.546 -1.012 -13.021 1.00 0.00 H new ATOM 0 HE3 LYS A 37 99.920 0.066 -12.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 100.127 -1.369 -14.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 101.362 -1.710 -13.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 100.030 -2.755 -13.818 1.00 0.00 H new ATOM 570 N LEU A 38 102.598 1.516 -9.482 1.00 0.00 N ATOM 571 CA LEU A 38 102.857 2.736 -10.242 1.00 0.00 C ATOM 572 C LEU A 38 104.325 3.150 -10.161 1.00 0.00 C ATOM 573 O LEU A 38 104.918 3.553 -11.160 1.00 0.00 O ATOM 574 CB LEU A 38 101.957 3.866 -9.734 1.00 0.00 C ATOM 575 CG LEU A 38 102.038 5.174 -10.521 1.00 0.00 C ATOM 576 CD1 LEU A 38 101.557 4.973 -11.950 1.00 0.00 C ATOM 577 CD2 LEU A 38 101.224 6.257 -9.830 1.00 0.00 C ATOM 0 H LEU A 38 101.891 1.622 -8.754 1.00 0.00 H new ATOM 0 HA LEU A 38 102.630 2.535 -11.289 1.00 0.00 H new ATOM 0 HB2 LEU A 38 100.924 3.518 -9.746 1.00 0.00 H new ATOM 0 HB3 LEU A 38 102.212 4.071 -8.694 1.00 0.00 H new ATOM 0 HG LEU A 38 103.080 5.492 -10.555 1.00 0.00 H new ATOM 0 HD11 LEU A 38 101.623 5.916 -12.492 1.00 0.00 H new ATOM 0 HD12 LEU A 38 102.181 4.227 -12.442 1.00 0.00 H new ATOM 0 HD13 LEU A 38 100.522 4.631 -11.941 1.00 0.00 H new ATOM 0 HD21 LEU A 38 101.291 7.183 -10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 38 100.182 5.944 -9.767 1.00 0.00 H new ATOM 0 HD23 LEU A 38 101.615 6.421 -8.826 1.00 0.00 H new ATOM 589 N HIS A 39 104.918 3.035 -8.980 1.00 0.00 N ATOM 590 CA HIS A 39 106.317 3.411 -8.811 1.00 0.00 C ATOM 591 C HIS A 39 107.243 2.313 -9.324 1.00 0.00 C ATOM 592 O HIS A 39 108.384 2.581 -9.691 1.00 0.00 O ATOM 593 CB HIS A 39 106.633 3.750 -7.351 1.00 0.00 C ATOM 594 CG HIS A 39 105.964 5.004 -6.871 1.00 0.00 C ATOM 595 ND1 HIS A 39 106.350 6.270 -7.263 1.00 0.00 N ATOM 596 CD2 HIS A 39 104.920 5.182 -6.030 1.00 0.00 C ATOM 597 CE1 HIS A 39 105.572 7.164 -6.684 1.00 0.00 C ATOM 598 NE2 HIS A 39 104.693 6.531 -5.931 1.00 0.00 N ATOM 0 H HIS A 39 104.461 2.690 -8.136 1.00 0.00 H new ATOM 0 HA HIS A 39 106.490 4.308 -9.405 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.325 2.918 -6.718 1.00 0.00 H new ATOM 0 HB3 HIS A 39 107.712 3.856 -7.236 1.00 0.00 H new ATOM 0 HD2 HIS A 39 104.366 4.403 -5.528 1.00 0.00 H new ATOM 0 HE1 HIS A 39 105.643 8.235 -6.806 1.00 0.00 H new ATOM 0 HE2 HIS A 39 103.965 6.972 -5.368 1.00 0.00 H new ATOM 607 N MET A 40 106.746 1.080 -9.366 1.00 0.00 N ATOM 608 CA MET A 40 107.506 -0.028 -9.944 1.00 0.00 C ATOM 609 C MET A 40 107.631 0.139 -11.452 1.00 0.00 C ATOM 610 O MET A 40 108.641 -0.229 -12.046 1.00 0.00 O ATOM 611 CB MET A 40 106.855 -1.375 -9.635 1.00 0.00 C ATOM 612 CG MET A 40 107.194 -1.933 -8.266 1.00 0.00 C ATOM 613 SD MET A 40 106.489 -3.572 -8.014 1.00 0.00 S ATOM 614 CE MET A 40 107.224 -4.035 -6.450 1.00 0.00 C ATOM 0 H MET A 40 105.826 0.822 -9.009 1.00 0.00 H new ATOM 0 HA MET A 40 108.498 -0.011 -9.492 1.00 0.00 H new ATOM 0 HB2 MET A 40 105.773 -1.269 -9.713 1.00 0.00 H new ATOM 0 HB3 MET A 40 107.160 -2.095 -10.394 1.00 0.00 H new ATOM 0 HG2 MET A 40 108.277 -1.982 -8.152 1.00 0.00 H new ATOM 0 HG3 MET A 40 106.823 -1.256 -7.496 1.00 0.00 H new ATOM 0 HE1 MET A 40 107.310 -5.120 -6.396 1.00 0.00 H new ATOM 0 HE2 MET A 40 108.215 -3.588 -6.367 1.00 0.00 H new ATOM 0 HE3 MET A 40 106.596 -3.679 -5.633 1.00 0.00 H new ATOM 624 N VAL A 41 106.598 0.703 -12.065 1.00 0.00 N ATOM 625 CA VAL A 41 106.608 0.968 -13.500 1.00 0.00 C ATOM 626 C VAL A 41 107.724 1.950 -13.847 1.00 0.00 C ATOM 627 O VAL A 41 108.296 1.910 -14.940 1.00 0.00 O ATOM 628 CB VAL A 41 105.250 1.534 -13.975 1.00 0.00 C ATOM 629 CG1 VAL A 41 105.258 1.803 -15.472 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.121 0.581 -13.618 1.00 0.00 C ATOM 0 H VAL A 41 105.741 0.987 -11.591 1.00 0.00 H new ATOM 0 HA VAL A 41 106.784 0.022 -14.013 1.00 0.00 H new ATOM 0 HB VAL A 41 105.086 2.482 -13.462 1.00 0.00 H new ATOM 0 HG11 VAL A 41 104.289 2.200 -15.775 1.00 0.00 H new ATOM 0 HG12 VAL A 41 106.037 2.528 -15.707 1.00 0.00 H new ATOM 0 HG13 VAL A 41 105.453 0.874 -16.008 1.00 0.00 H new ATOM 0 HG21 VAL A 41 103.173 0.996 -13.960 1.00 0.00 H new ATOM 0 HG22 VAL A 41 104.291 -0.382 -14.100 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.088 0.444 -12.537 1.00 0.00 H new ATOM 640 N ALA A 42 108.046 2.815 -12.895 1.00 0.00 N ATOM 641 CA ALA A 42 109.099 3.803 -13.081 1.00 0.00 C ATOM 642 C ALA A 42 110.471 3.246 -12.696 1.00 0.00 C ATOM 643 O ALA A 42 111.490 3.915 -12.880 1.00 0.00 O ATOM 644 CB ALA A 42 108.790 5.054 -12.272 1.00 0.00 C ATOM 0 H ALA A 42 107.591 2.852 -11.983 1.00 0.00 H new ATOM 0 HA ALA A 42 109.133 4.059 -14.140 1.00 0.00 H new ATOM 0 HB1 ALA A 42 109.584 5.787 -12.418 1.00 0.00 H new ATOM 0 HB2 ALA A 42 107.841 5.476 -12.603 1.00 0.00 H new ATOM 0 HB3 ALA A 42 108.724 4.797 -11.215 1.00 0.00 H new ATOM 650 N MET A 43 110.498 2.021 -12.175 1.00 0.00 N ATOM 651 CA MET A 43 111.747 1.406 -11.728 1.00 0.00 C ATOM 652 C MET A 43 112.597 0.935 -12.901 1.00 0.00 C ATOM 653 O MET A 43 112.084 0.626 -13.979 1.00 0.00 O ATOM 654 CB MET A 43 111.477 0.229 -10.790 1.00 0.00 C ATOM 655 CG MET A 43 111.060 0.645 -9.390 1.00 0.00 C ATOM 656 SD MET A 43 110.755 -0.766 -8.309 1.00 0.00 S ATOM 657 CE MET A 43 110.472 0.063 -6.749 1.00 0.00 C ATOM 0 H MET A 43 109.672 1.436 -12.052 1.00 0.00 H new ATOM 0 HA MET A 43 112.299 2.175 -11.188 1.00 0.00 H new ATOM 0 HB2 MET A 43 110.695 -0.396 -11.222 1.00 0.00 H new ATOM 0 HB3 MET A 43 112.375 -0.385 -10.724 1.00 0.00 H new ATOM 0 HG2 MET A 43 111.839 1.271 -8.954 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.158 1.254 -9.449 1.00 0.00 H new ATOM 0 HE1 MET A 43 109.981 -0.621 -6.057 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.426 0.382 -6.328 1.00 0.00 H new ATOM 0 HE3 MET A 43 109.836 0.934 -6.910 1.00 0.00 H new ATOM 667 N ARG A 44 113.898 0.886 -12.668 1.00 0.00 N ATOM 668 CA ARG A 44 114.865 0.484 -13.677 1.00 0.00 C ATOM 669 C ARG A 44 115.859 -0.514 -13.080 1.00 0.00 C ATOM 670 O ARG A 44 116.123 -0.498 -11.880 1.00 0.00 O ATOM 671 CB ARG A 44 115.592 1.733 -14.193 1.00 0.00 C ATOM 672 CG ARG A 44 116.724 1.466 -15.170 1.00 0.00 C ATOM 673 CD ARG A 44 116.228 0.845 -16.464 1.00 0.00 C ATOM 674 NE ARG A 44 117.281 0.814 -17.478 1.00 0.00 N ATOM 675 CZ ARG A 44 117.110 0.368 -18.721 1.00 0.00 C ATOM 676 NH1 ARG A 44 115.983 -0.244 -19.069 1.00 0.00 N ATOM 677 NH2 ARG A 44 118.094 0.490 -19.605 1.00 0.00 N ATOM 0 H ARG A 44 114.316 1.125 -11.769 1.00 0.00 H new ATOM 0 HA ARG A 44 114.355 -0.003 -14.508 1.00 0.00 H new ATOM 0 HB2 ARG A 44 114.863 2.384 -14.675 1.00 0.00 H new ATOM 0 HB3 ARG A 44 115.992 2.280 -13.339 1.00 0.00 H new ATOM 0 HG2 ARG A 44 117.239 2.401 -15.391 1.00 0.00 H new ATOM 0 HG3 ARG A 44 117.453 0.802 -14.706 1.00 0.00 H new ATOM 0 HD2 ARG A 44 115.876 -0.168 -16.272 1.00 0.00 H new ATOM 0 HD3 ARG A 44 115.376 1.413 -16.839 1.00 0.00 H new ATOM 0 HE ARG A 44 118.206 1.156 -17.216 1.00 0.00 H new ATOM 0 HH11 ARG A 44 115.241 -0.375 -18.382 1.00 0.00 H new ATOM 0 HH12 ARG A 44 115.860 -0.583 -20.023 1.00 0.00 H new ATOM 0 HH21 ARG A 44 118.975 0.924 -19.330 1.00 0.00 H new ATOM 0 HH22 ARG A 44 117.968 0.150 -20.558 1.00 0.00 H new ATOM 691 N ARG A 45 116.389 -1.395 -13.916 1.00 0.00 N ATOM 692 CA ARG A 45 117.397 -2.353 -13.483 1.00 0.00 C ATOM 693 C ARG A 45 118.678 -1.608 -13.103 1.00 0.00 C ATOM 694 O ARG A 45 119.337 -1.021 -13.963 1.00 0.00 O ATOM 695 CB ARG A 45 117.667 -3.351 -14.611 1.00 0.00 C ATOM 696 CG ARG A 45 118.367 -4.623 -14.167 1.00 0.00 C ATOM 697 CD ARG A 45 118.562 -5.576 -15.336 1.00 0.00 C ATOM 698 NE ARG A 45 118.887 -6.930 -14.896 1.00 0.00 N ATOM 699 CZ ARG A 45 119.730 -7.747 -15.525 1.00 0.00 C ATOM 700 NH1 ARG A 45 120.404 -7.337 -16.590 1.00 0.00 N ATOM 701 NH2 ARG A 45 119.903 -8.982 -15.079 1.00 0.00 N ATOM 0 H ARG A 45 116.137 -1.467 -14.902 1.00 0.00 H new ATOM 0 HA ARG A 45 117.040 -2.900 -12.610 1.00 0.00 H new ATOM 0 HB2 ARG A 45 116.719 -3.617 -15.080 1.00 0.00 H new ATOM 0 HB3 ARG A 45 118.274 -2.864 -15.374 1.00 0.00 H new ATOM 0 HG2 ARG A 45 119.334 -4.376 -13.730 1.00 0.00 H new ATOM 0 HG3 ARG A 45 117.781 -5.112 -13.389 1.00 0.00 H new ATOM 0 HD2 ARG A 45 117.654 -5.600 -15.938 1.00 0.00 H new ATOM 0 HD3 ARG A 45 119.360 -5.203 -15.977 1.00 0.00 H new ATOM 0 HE ARG A 45 118.437 -7.274 -14.048 1.00 0.00 H new ATOM 0 HH11 ARG A 45 120.280 -6.386 -16.937 1.00 0.00 H new ATOM 0 HH12 ARG A 45 121.047 -7.973 -17.063 1.00 0.00 H new ATOM 0 HH21 ARG A 45 119.392 -9.304 -14.257 1.00 0.00 H new ATOM 0 HH22 ARG A 45 120.548 -9.611 -15.557 1.00 0.00 H new ATOM 715 N GLY A 46 119.031 -1.626 -11.823 1.00 0.00 N ATOM 716 CA GLY A 46 120.144 -0.825 -11.355 1.00 0.00 C ATOM 717 C GLY A 46 119.693 0.229 -10.364 1.00 0.00 C ATOM 718 O GLY A 46 120.517 0.864 -9.700 1.00 0.00 O ATOM 0 H GLY A 46 118.567 -2.180 -11.103 1.00 0.00 H new ATOM 0 HA2 GLY A 46 120.887 -1.471 -10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 46 120.629 -0.343 -12.204 1.00 0.00 H new ATOM 722 N ASP A 47 118.378 0.420 -10.278 1.00 0.00 N ATOM 723 CA ASP A 47 117.790 1.308 -9.280 1.00 0.00 C ATOM 724 C ASP A 47 118.042 0.755 -7.894 1.00 0.00 C ATOM 725 O ASP A 47 118.039 -0.459 -7.696 1.00 0.00 O ATOM 726 CB ASP A 47 116.280 1.457 -9.485 1.00 0.00 C ATOM 727 CG ASP A 47 115.909 2.405 -10.606 1.00 0.00 C ATOM 728 OD1 ASP A 47 116.800 2.799 -11.390 1.00 0.00 O ATOM 729 OD2 ASP A 47 114.717 2.768 -10.703 1.00 0.00 O ATOM 0 H ASP A 47 117.698 -0.031 -10.890 1.00 0.00 H new ATOM 0 HA ASP A 47 118.256 2.287 -9.390 1.00 0.00 H new ATOM 0 HB2 ASP A 47 115.852 0.476 -9.694 1.00 0.00 H new ATOM 0 HB3 ASP A 47 115.829 1.811 -8.558 1.00 0.00 H new ATOM 734 N ARG A 48 118.250 1.631 -6.934 1.00 0.00 N ATOM 735 CA ARG A 48 118.540 1.196 -5.582 1.00 0.00 C ATOM 736 C ARG A 48 117.533 1.774 -4.607 1.00 0.00 C ATOM 737 O ARG A 48 117.105 2.917 -4.743 1.00 0.00 O ATOM 738 CB ARG A 48 119.962 1.579 -5.183 1.00 0.00 C ATOM 739 CG ARG A 48 121.023 0.873 -6.006 1.00 0.00 C ATOM 740 CD ARG A 48 122.420 1.208 -5.525 1.00 0.00 C ATOM 741 NE ARG A 48 123.438 0.495 -6.288 1.00 0.00 N ATOM 742 CZ ARG A 48 124.694 0.329 -5.882 1.00 0.00 C ATOM 743 NH1 ARG A 48 125.078 0.794 -4.699 1.00 0.00 N ATOM 744 NH2 ARG A 48 125.564 -0.305 -6.655 1.00 0.00 N ATOM 0 H ARG A 48 118.224 2.643 -7.062 1.00 0.00 H new ATOM 0 HA ARG A 48 118.461 0.109 -5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 48 120.085 2.657 -5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 48 120.113 1.345 -4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 48 120.868 -0.205 -5.952 1.00 0.00 H new ATOM 0 HG3 ARG A 48 120.921 1.158 -7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 48 122.587 2.282 -5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.512 0.954 -4.469 1.00 0.00 H new ATOM 0 HE ARG A 48 123.170 0.099 -7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 48 124.410 1.279 -4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 48 126.041 0.666 -4.389 1.00 0.00 H new ATOM 0 HH21 ARG A 48 125.271 -0.666 -7.563 1.00 0.00 H new ATOM 0 HH22 ARG A 48 126.527 -0.431 -6.342 1.00 0.00 H new ATOM 758 N ALA A 49 117.156 0.977 -3.626 1.00 0.00 N ATOM 759 CA ALA A 49 116.147 1.373 -2.666 1.00 0.00 C ATOM 760 C ALA A 49 116.646 1.181 -1.242 1.00 0.00 C ATOM 761 O ALA A 49 117.582 0.416 -0.999 1.00 0.00 O ATOM 762 CB ALA A 49 114.871 0.573 -2.887 1.00 0.00 C ATOM 0 H ALA A 49 117.538 0.044 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 49 115.933 2.432 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 49 114.119 0.879 -2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 49 114.497 0.756 -3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 49 115.082 -0.489 -2.766 1.00 0.00 H new ATOM 768 N PHE A 50 116.010 1.869 -0.307 1.00 0.00 N ATOM 769 CA PHE A 50 116.320 1.703 1.103 1.00 0.00 C ATOM 770 C PHE A 50 115.453 0.607 1.690 1.00 0.00 C ATOM 771 O PHE A 50 114.243 0.568 1.454 1.00 0.00 O ATOM 772 CB PHE A 50 116.072 2.998 1.883 1.00 0.00 C ATOM 773 CG PHE A 50 117.133 4.047 1.722 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.454 3.768 2.033 1.00 0.00 C ATOM 775 CD2 PHE A 50 116.805 5.320 1.286 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.429 4.736 1.902 1.00 0.00 C ATOM 777 CE2 PHE A 50 117.776 6.293 1.158 1.00 0.00 C ATOM 778 CZ PHE A 50 119.089 6.001 1.469 1.00 0.00 C ATOM 0 H PHE A 50 115.275 2.549 -0.500 1.00 0.00 H new ATOM 0 HA PHE A 50 117.375 1.440 1.185 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.117 3.417 1.568 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.980 2.755 2.942 1.00 0.00 H new ATOM 0 HD1 PHE A 50 118.724 2.782 2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 50 115.779 5.554 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.457 4.503 2.138 1.00 0.00 H new ATOM 0 HE2 PHE A 50 117.509 7.282 0.815 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.849 6.762 1.373 1.00 0.00 H new ATOM 788 N TYR A 51 116.073 -0.290 2.435 1.00 0.00 N ATOM 789 CA TYR A 51 115.346 -1.366 3.080 1.00 0.00 C ATOM 790 C TYR A 51 114.833 -0.900 4.434 1.00 0.00 C ATOM 791 O TYR A 51 115.553 -0.933 5.433 1.00 0.00 O ATOM 792 CB TYR A 51 116.237 -2.596 3.241 1.00 0.00 C ATOM 793 CG TYR A 51 115.541 -3.886 2.883 1.00 0.00 C ATOM 794 CD1 TYR A 51 115.520 -4.333 1.568 1.00 0.00 C ATOM 795 CD2 TYR A 51 114.908 -4.655 3.850 1.00 0.00 C ATOM 796 CE1 TYR A 51 114.888 -5.509 1.226 1.00 0.00 C ATOM 797 CE2 TYR A 51 114.273 -5.836 3.515 1.00 0.00 C ATOM 798 CZ TYR A 51 114.267 -6.257 2.200 1.00 0.00 C ATOM 799 OH TYR A 51 113.639 -7.429 1.857 1.00 0.00 O ATOM 0 H TYR A 51 117.078 -0.294 2.608 1.00 0.00 H new ATOM 0 HA TYR A 51 114.497 -1.642 2.455 1.00 0.00 H new ATOM 0 HB2 TYR A 51 117.121 -2.481 2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 51 116.584 -2.652 4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 51 116.007 -3.749 0.801 1.00 0.00 H new ATOM 0 HD2 TYR A 51 114.912 -4.326 4.879 1.00 0.00 H new ATOM 0 HE1 TYR A 51 114.880 -5.842 0.199 1.00 0.00 H new ATOM 0 HE2 TYR A 51 113.785 -6.426 4.277 1.00 0.00 H new ATOM 0 HH TYR A 51 113.480 -7.963 2.663 1.00 0.00 H new ATOM 809 N TYR A 52 113.596 -0.442 4.448 1.00 0.00 N ATOM 810 CA TYR A 52 112.991 0.107 5.647 1.00 0.00 C ATOM 811 C TYR A 52 112.091 -0.928 6.306 1.00 0.00 C ATOM 812 O TYR A 52 111.163 -1.445 5.686 1.00 0.00 O ATOM 813 CB TYR A 52 112.195 1.364 5.282 1.00 0.00 C ATOM 814 CG TYR A 52 111.497 2.052 6.439 1.00 0.00 C ATOM 815 CD1 TYR A 52 112.161 2.989 7.221 1.00 0.00 C ATOM 816 CD2 TYR A 52 110.164 1.782 6.733 1.00 0.00 C ATOM 817 CE1 TYR A 52 111.521 3.632 8.264 1.00 0.00 C ATOM 818 CE2 TYR A 52 109.517 2.425 7.771 1.00 0.00 C ATOM 819 CZ TYR A 52 110.200 3.347 8.532 1.00 0.00 C ATOM 820 OH TYR A 52 109.558 3.995 9.563 1.00 0.00 O ATOM 0 H TYR A 52 112.984 -0.440 3.632 1.00 0.00 H new ATOM 0 HA TYR A 52 113.772 0.375 6.358 1.00 0.00 H new ATOM 0 HB2 TYR A 52 112.871 2.078 4.812 1.00 0.00 H new ATOM 0 HB3 TYR A 52 111.447 1.096 4.536 1.00 0.00 H new ATOM 0 HD1 TYR A 52 113.195 3.219 7.010 1.00 0.00 H new ATOM 0 HD2 TYR A 52 109.626 1.058 6.140 1.00 0.00 H new ATOM 0 HE1 TYR A 52 112.054 4.354 8.865 1.00 0.00 H new ATOM 0 HE2 TYR A 52 108.481 2.206 7.984 1.00 0.00 H new ATOM 0 HH TYR A 52 108.631 3.682 9.620 1.00 0.00 H new ATOM 830 N HIS A 53 112.385 -1.248 7.553 1.00 0.00 N ATOM 831 CA HIS A 53 111.545 -2.151 8.318 1.00 0.00 C ATOM 832 C HIS A 53 110.482 -1.376 9.060 1.00 0.00 C ATOM 833 O HIS A 53 110.789 -0.622 9.969 1.00 0.00 O ATOM 834 CB HIS A 53 112.363 -2.980 9.308 1.00 0.00 C ATOM 835 CG HIS A 53 112.786 -4.308 8.757 1.00 0.00 C ATOM 836 ND1 HIS A 53 112.253 -5.061 7.765 1.00 0.00 N flip ATOM 837 CD2 HIS A 53 113.855 -5.025 9.243 1.00 0.00 C flip ATOM 838 CE1 HIS A 53 112.998 -6.210 7.672 1.00 0.00 C flip ATOM 839 NE2 HIS A 53 113.961 -6.159 8.575 1.00 0.00 N flip ATOM 0 H HIS A 53 113.199 -0.896 8.057 1.00 0.00 H new ATOM 0 HA HIS A 53 111.072 -2.835 7.613 1.00 0.00 H new ATOM 0 HB2 HIS A 53 113.249 -2.416 9.600 1.00 0.00 H new ATOM 0 HB3 HIS A 53 111.775 -3.139 10.212 1.00 0.00 H new ATOM 0 HD1 HIS A 53 111.445 -4.818 7.192 1.00 0.00 H new ATOM 0 HD2 HIS A 53 114.506 -4.710 10.045 1.00 0.00 H new ATOM 0 HE1 HIS A 53 112.826 -7.019 6.978 1.00 0.00 H new ATOM 848 N SER A 54 109.242 -1.558 8.663 1.00 0.00 N ATOM 849 CA SER A 54 108.131 -0.905 9.320 1.00 0.00 C ATOM 850 C SER A 54 107.650 -1.739 10.506 1.00 0.00 C ATOM 851 O SER A 54 108.115 -2.867 10.706 1.00 0.00 O ATOM 852 CB SER A 54 107.004 -0.676 8.313 1.00 0.00 C ATOM 853 OG SER A 54 106.848 -1.797 7.458 1.00 0.00 O ATOM 0 H SER A 54 108.976 -2.158 7.882 1.00 0.00 H new ATOM 0 HA SER A 54 108.455 0.062 9.704 1.00 0.00 H new ATOM 0 HB2 SER A 54 106.071 -0.487 8.844 1.00 0.00 H new ATOM 0 HB3 SER A 54 107.218 0.212 7.718 1.00 0.00 H new ATOM 0 HG SER A 54 106.120 -1.626 6.824 1.00 0.00 H new ATOM 859 N ASN A 55 106.740 -1.168 11.292 1.00 0.00 N ATOM 860 CA ASN A 55 106.170 -1.834 12.465 1.00 0.00 C ATOM 861 C ASN A 55 107.222 -2.060 13.553 1.00 0.00 C ATOM 862 O ASN A 55 107.388 -1.223 14.441 1.00 0.00 O ATOM 863 CB ASN A 55 105.503 -3.161 12.074 1.00 0.00 C ATOM 864 CG ASN A 55 104.886 -3.890 13.254 1.00 0.00 C ATOM 865 OD1 ASN A 55 104.451 -3.276 14.228 1.00 0.00 O ATOM 866 ND2 ASN A 55 104.835 -5.209 13.169 1.00 0.00 N ATOM 0 H ASN A 55 106.375 -0.229 11.135 1.00 0.00 H new ATOM 0 HA ASN A 55 105.407 -1.172 12.874 1.00 0.00 H new ATOM 0 HB2 ASN A 55 104.730 -2.967 11.331 1.00 0.00 H new ATOM 0 HB3 ASN A 55 106.243 -3.807 11.602 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.424 -5.753 13.928 1.00 0.00 H new ATOM 0 HD22 ASN A 55 105.206 -5.682 12.345 1.00 0.00 H new ATOM 873 N GLU A 56 107.951 -3.166 13.467 1.00 0.00 N ATOM 874 CA GLU A 56 108.904 -3.525 14.507 1.00 0.00 C ATOM 875 C GLU A 56 110.294 -2.999 14.187 1.00 0.00 C ATOM 876 O GLU A 56 111.175 -3.733 13.739 1.00 0.00 O ATOM 877 CB GLU A 56 108.936 -5.038 14.723 1.00 0.00 C ATOM 878 CG GLU A 56 107.616 -5.600 15.220 1.00 0.00 C ATOM 879 CD GLU A 56 107.716 -7.054 15.619 1.00 0.00 C ATOM 880 OE1 GLU A 56 108.310 -7.342 16.677 1.00 0.00 O ATOM 881 OE2 GLU A 56 107.191 -7.916 14.884 1.00 0.00 O ATOM 0 H GLU A 56 107.900 -3.826 12.691 1.00 0.00 H new ATOM 0 HA GLU A 56 108.572 -3.056 15.433 1.00 0.00 H new ATOM 0 HB2 GLU A 56 109.201 -5.527 13.786 1.00 0.00 H new ATOM 0 HB3 GLU A 56 109.720 -5.279 15.441 1.00 0.00 H new ATOM 0 HG2 GLU A 56 107.275 -5.015 16.075 1.00 0.00 H new ATOM 0 HG3 GLU A 56 106.863 -5.492 14.439 1.00 0.00 H new ATOM 888 N GLY A 57 110.458 -1.706 14.380 1.00 0.00 N ATOM 889 CA GLY A 57 111.744 -1.077 14.218 1.00 0.00 C ATOM 890 C GLY A 57 111.606 0.302 13.628 1.00 0.00 C ATOM 891 O GLY A 57 112.076 1.282 14.205 1.00 0.00 O ATOM 0 H GLY A 57 109.708 -1.070 14.651 1.00 0.00 H new ATOM 0 HA2 GLY A 57 112.245 -1.014 15.184 1.00 0.00 H new ATOM 0 HA3 GLY A 57 112.373 -1.690 13.573 1.00 0.00 H new ATOM 895 N LYS A 58 110.918 0.369 12.492 1.00 0.00 N ATOM 896 CA LYS A 58 110.770 1.603 11.731 1.00 0.00 C ATOM 897 C LYS A 58 112.140 2.208 11.477 1.00 0.00 C ATOM 898 O LYS A 58 112.484 3.265 12.003 1.00 0.00 O ATOM 899 CB LYS A 58 109.832 2.583 12.440 1.00 0.00 C ATOM 900 CG LYS A 58 108.444 2.003 12.675 1.00 0.00 C ATOM 901 CD LYS A 58 107.446 3.066 13.101 1.00 0.00 C ATOM 902 CE LYS A 58 107.176 4.058 11.982 1.00 0.00 C ATOM 903 NZ LYS A 58 106.143 5.056 12.365 1.00 0.00 N ATOM 0 H LYS A 58 110.447 -0.433 12.073 1.00 0.00 H new ATOM 0 HA LYS A 58 110.311 1.377 10.769 1.00 0.00 H new ATOM 0 HB2 LYS A 58 110.268 2.869 13.397 1.00 0.00 H new ATOM 0 HB3 LYS A 58 109.745 3.492 11.845 1.00 0.00 H new ATOM 0 HG2 LYS A 58 108.093 1.522 11.762 1.00 0.00 H new ATOM 0 HG3 LYS A 58 108.499 1.230 13.442 1.00 0.00 H new ATOM 0 HD2 LYS A 58 106.512 2.590 13.400 1.00 0.00 H new ATOM 0 HD3 LYS A 58 107.828 3.596 13.974 1.00 0.00 H new ATOM 0 HE2 LYS A 58 108.101 4.574 11.723 1.00 0.00 H new ATOM 0 HE3 LYS A 58 106.850 3.521 11.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 105.987 5.715 11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 105.253 4.566 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 106.465 5.586 13.200 1.00 0.00 H new ATOM 917 N GLU A 59 112.920 1.497 10.677 1.00 0.00 N ATOM 918 CA GLU A 59 114.324 1.812 10.480 1.00 0.00 C ATOM 919 C GLU A 59 114.808 1.320 9.119 1.00 0.00 C ATOM 920 O GLU A 59 114.316 0.318 8.598 1.00 0.00 O ATOM 921 CB GLU A 59 115.146 1.144 11.584 1.00 0.00 C ATOM 922 CG GLU A 59 114.898 -0.353 11.672 1.00 0.00 C ATOM 923 CD GLU A 59 115.653 -1.022 12.797 1.00 0.00 C ATOM 924 OE1 GLU A 59 115.554 -0.558 13.950 1.00 0.00 O ATOM 925 OE2 GLU A 59 116.325 -2.040 12.536 1.00 0.00 O ATOM 0 H GLU A 59 112.597 0.687 10.148 1.00 0.00 H new ATOM 0 HA GLU A 59 114.449 2.894 10.518 1.00 0.00 H new ATOM 0 HB2 GLU A 59 116.206 1.323 11.402 1.00 0.00 H new ATOM 0 HB3 GLU A 59 114.905 1.606 12.542 1.00 0.00 H new ATOM 0 HG2 GLU A 59 113.831 -0.530 11.805 1.00 0.00 H new ATOM 0 HG3 GLU A 59 115.182 -0.817 10.727 1.00 0.00 H new ATOM 932 N ILE A 60 115.762 2.035 8.547 1.00 0.00 N ATOM 933 CA ILE A 60 116.415 1.608 7.322 1.00 0.00 C ATOM 934 C ILE A 60 117.644 0.776 7.671 1.00 0.00 C ATOM 935 O ILE A 60 118.566 1.265 8.327 1.00 0.00 O ATOM 936 CB ILE A 60 116.835 2.812 6.452 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.621 3.696 6.146 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.487 2.330 5.164 1.00 0.00 C ATOM 939 CD1 ILE A 60 115.967 4.967 5.398 1.00 0.00 C ATOM 0 H ILE A 60 116.104 2.922 8.916 1.00 0.00 H new ATOM 0 HA ILE A 60 115.706 1.012 6.748 1.00 0.00 H new ATOM 0 HB ILE A 60 117.563 3.407 7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 60 114.904 3.123 5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.128 3.958 7.082 1.00 0.00 H new ATOM 0 HG21 ILE A 60 117.778 3.189 4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.371 1.738 5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 60 116.780 1.717 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 60 115.058 5.541 5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.660 5.562 5.993 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.432 4.713 4.445 1.00 0.00 H new ATOM 951 N VAL A 61 117.646 -0.480 7.249 1.00 0.00 N ATOM 952 CA VAL A 61 118.694 -1.412 7.650 1.00 0.00 C ATOM 953 C VAL A 61 119.740 -1.637 6.559 1.00 0.00 C ATOM 954 O VAL A 61 120.879 -2.002 6.856 1.00 0.00 O ATOM 955 CB VAL A 61 118.104 -2.773 8.075 1.00 0.00 C ATOM 956 CG1 VAL A 61 117.311 -2.628 9.363 1.00 0.00 C ATOM 957 CG2 VAL A 61 117.230 -3.357 6.973 1.00 0.00 C ATOM 0 H VAL A 61 116.938 -0.878 6.632 1.00 0.00 H new ATOM 0 HA VAL A 61 119.191 -0.946 8.501 1.00 0.00 H new ATOM 0 HB VAL A 61 118.931 -3.461 8.250 1.00 0.00 H new ATOM 0 HG11 VAL A 61 116.901 -3.597 9.649 1.00 0.00 H new ATOM 0 HG12 VAL A 61 117.966 -2.263 10.154 1.00 0.00 H new ATOM 0 HG13 VAL A 61 116.496 -1.920 9.211 1.00 0.00 H new ATOM 0 HG21 VAL A 61 116.827 -4.316 7.298 1.00 0.00 H new ATOM 0 HG22 VAL A 61 116.409 -2.672 6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 61 117.827 -3.501 6.073 1.00 0.00 H new ATOM 967 N GLY A 62 119.379 -1.421 5.302 1.00 0.00 N ATOM 968 CA GLY A 62 120.326 -1.686 4.239 1.00 0.00 C ATOM 969 C GLY A 62 119.884 -1.181 2.886 1.00 0.00 C ATOM 970 O GLY A 62 118.836 -0.544 2.757 1.00 0.00 O ATOM 0 H GLY A 62 118.467 -1.074 5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.281 -1.226 4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 62 120.496 -2.761 4.177 1.00 0.00 H new ATOM 974 N ILE A 63 120.697 -1.480 1.883 1.00 0.00 N ATOM 975 CA ILE A 63 120.460 -1.043 0.516 1.00 0.00 C ATOM 976 C ILE A 63 120.052 -2.223 -0.365 1.00 0.00 C ATOM 977 O ILE A 63 120.664 -3.290 -0.307 1.00 0.00 O ATOM 978 CB ILE A 63 121.741 -0.397 -0.060 1.00 0.00 C ATOM 979 CG1 ILE A 63 122.130 0.832 0.767 1.00 0.00 C ATOM 980 CG2 ILE A 63 121.556 -0.026 -1.526 1.00 0.00 C ATOM 981 CD1 ILE A 63 123.527 1.336 0.483 1.00 0.00 C ATOM 0 H ILE A 63 121.545 -2.036 1.996 1.00 0.00 H new ATOM 0 HA ILE A 63 119.651 -0.312 0.526 1.00 0.00 H new ATOM 0 HB ILE A 63 122.549 -1.126 -0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 63 121.417 1.633 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 63 122.050 0.587 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 63 122.472 0.426 -1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 63 121.328 -0.923 -2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 63 120.735 0.684 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 63 123.733 2.207 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 63 124.250 0.551 0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 63 123.607 1.613 -0.568 1.00 0.00 H new ATOM 993 N ALA A 64 119.018 -2.029 -1.171 1.00 0.00 N ATOM 994 CA ALA A 64 118.575 -3.048 -2.113 1.00 0.00 C ATOM 995 C ALA A 64 118.673 -2.517 -3.539 1.00 0.00 C ATOM 996 O ALA A 64 118.679 -1.307 -3.750 1.00 0.00 O ATOM 997 CB ALA A 64 117.151 -3.479 -1.799 1.00 0.00 C ATOM 0 H ALA A 64 118.467 -1.171 -1.192 1.00 0.00 H new ATOM 0 HA ALA A 64 119.223 -3.920 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 64 116.836 -4.241 -2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 64 117.109 -3.888 -0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.486 -2.618 -1.870 1.00 0.00 H new ATOM 1003 N GLU A 65 118.764 -3.413 -4.512 1.00 0.00 N ATOM 1004 CA GLU A 65 118.864 -3.004 -5.909 1.00 0.00 C ATOM 1005 C GLU A 65 117.900 -3.803 -6.778 1.00 0.00 C ATOM 1006 O GLU A 65 117.697 -5.000 -6.560 1.00 0.00 O ATOM 1007 CB GLU A 65 120.293 -3.194 -6.418 1.00 0.00 C ATOM 1008 CG GLU A 65 120.609 -2.428 -7.690 1.00 0.00 C ATOM 1009 CD GLU A 65 122.049 -2.607 -8.111 1.00 0.00 C ATOM 1010 OE1 GLU A 65 122.398 -3.704 -8.587 1.00 0.00 O ATOM 1011 OE2 GLU A 65 122.848 -1.664 -7.944 1.00 0.00 O ATOM 0 H GLU A 65 118.771 -4.422 -4.363 1.00 0.00 H new ATOM 0 HA GLU A 65 118.598 -1.949 -5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 65 120.988 -2.883 -5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.465 -4.256 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 65 119.952 -2.767 -8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 65 120.404 -1.368 -7.536 1.00 0.00 H new ATOM 1018 N ILE A 66 117.314 -3.128 -7.755 1.00 0.00 N ATOM 1019 CA ILE A 66 116.411 -3.757 -8.708 1.00 0.00 C ATOM 1020 C ILE A 66 117.217 -4.449 -9.805 1.00 0.00 C ATOM 1021 O ILE A 66 117.913 -3.789 -10.577 1.00 0.00 O ATOM 1022 CB ILE A 66 115.475 -2.712 -9.363 1.00 0.00 C ATOM 1023 CG1 ILE A 66 114.812 -1.823 -8.301 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.419 -3.397 -10.219 1.00 0.00 C ATOM 1025 CD1 ILE A 66 113.960 -2.579 -7.306 1.00 0.00 C ATOM 0 H ILE A 66 117.451 -2.129 -7.910 1.00 0.00 H new ATOM 0 HA ILE A 66 115.806 -4.484 -8.166 1.00 0.00 H new ATOM 0 HB ILE A 66 116.082 -2.076 -10.007 1.00 0.00 H new ATOM 0 HG12 ILE A 66 115.588 -1.281 -7.760 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.193 -1.078 -8.801 1.00 0.00 H new ATOM 0 HG21 ILE A 66 113.772 -2.645 -10.670 1.00 0.00 H new ATOM 0 HG22 ILE A 66 114.906 -3.975 -11.005 1.00 0.00 H new ATOM 0 HG23 ILE A 66 113.822 -4.063 -9.596 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.528 -1.879 -6.591 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.160 -3.099 -7.833 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.577 -3.305 -6.776 1.00 0.00 H new ATOM 1037 N ILE A 67 117.139 -5.770 -9.870 1.00 0.00 N ATOM 1038 CA ILE A 67 117.894 -6.520 -10.870 1.00 0.00 C ATOM 1039 C ILE A 67 116.984 -7.079 -11.953 1.00 0.00 C ATOM 1040 O ILE A 67 117.423 -7.832 -12.819 1.00 0.00 O ATOM 1041 CB ILE A 67 118.705 -7.670 -10.245 1.00 0.00 C ATOM 1042 CG1 ILE A 67 117.801 -8.591 -9.418 1.00 0.00 C ATOM 1043 CG2 ILE A 67 119.830 -7.110 -9.396 1.00 0.00 C ATOM 1044 CD1 ILE A 67 118.527 -9.773 -8.816 1.00 0.00 C ATOM 0 H ILE A 67 116.567 -6.343 -9.250 1.00 0.00 H new ATOM 0 HA ILE A 67 118.590 -5.810 -11.317 1.00 0.00 H new ATOM 0 HB ILE A 67 119.139 -8.266 -11.048 1.00 0.00 H new ATOM 0 HG12 ILE A 67 117.342 -8.011 -8.617 1.00 0.00 H new ATOM 0 HG13 ILE A 67 116.992 -8.956 -10.051 1.00 0.00 H new ATOM 0 HG21 ILE A 67 120.398 -7.930 -8.958 1.00 0.00 H new ATOM 0 HG22 ILE A 67 120.489 -6.504 -10.018 1.00 0.00 H new ATOM 0 HG23 ILE A 67 119.413 -6.492 -8.601 1.00 0.00 H new ATOM 0 HD11 ILE A 67 117.824 -10.380 -8.245 1.00 0.00 H new ATOM 0 HD12 ILE A 67 118.963 -10.376 -9.612 1.00 0.00 H new ATOM 0 HD13 ILE A 67 119.318 -9.417 -8.156 1.00 0.00 H new ATOM 1056 N ARG A 68 115.722 -6.697 -11.906 1.00 0.00 N ATOM 1057 CA ARG A 68 114.762 -7.094 -12.920 1.00 0.00 C ATOM 1058 C ARG A 68 113.631 -6.083 -12.946 1.00 0.00 C ATOM 1059 O ARG A 68 113.031 -5.796 -11.912 1.00 0.00 O ATOM 1060 CB ARG A 68 114.224 -8.501 -12.647 1.00 0.00 C ATOM 1061 CG ARG A 68 113.488 -9.109 -13.830 1.00 0.00 C ATOM 1062 CD ARG A 68 114.052 -10.477 -14.190 1.00 0.00 C ATOM 1063 NE ARG A 68 113.795 -11.474 -13.151 1.00 0.00 N ATOM 1064 CZ ARG A 68 114.745 -12.112 -12.466 1.00 0.00 C ATOM 1065 NH1 ARG A 68 116.025 -11.826 -12.657 1.00 0.00 N ATOM 1066 NH2 ARG A 68 114.410 -13.031 -11.573 1.00 0.00 N ATOM 0 H ARG A 68 115.335 -6.107 -11.170 1.00 0.00 H new ATOM 0 HA ARG A 68 115.255 -7.117 -13.892 1.00 0.00 H new ATOM 0 HB2 ARG A 68 115.054 -9.152 -12.372 1.00 0.00 H new ATOM 0 HB3 ARG A 68 113.551 -8.464 -11.790 1.00 0.00 H new ATOM 0 HG2 ARG A 68 112.428 -9.201 -13.593 1.00 0.00 H new ATOM 0 HG3 ARG A 68 113.565 -8.444 -14.690 1.00 0.00 H new ATOM 0 HD2 ARG A 68 113.613 -10.813 -15.129 1.00 0.00 H new ATOM 0 HD3 ARG A 68 115.127 -10.393 -14.352 1.00 0.00 H new ATOM 0 HE ARG A 68 112.823 -11.696 -12.936 1.00 0.00 H new ATOM 0 HH11 ARG A 68 116.292 -11.111 -13.334 1.00 0.00 H new ATOM 0 HH12 ARG A 68 116.743 -12.321 -12.127 1.00 0.00 H new ATOM 0 HH21 ARG A 68 113.427 -13.250 -11.410 1.00 0.00 H new ATOM 0 HH22 ARG A 68 115.135 -13.520 -11.048 1.00 0.00 H new ATOM 1080 N GLU A 69 113.364 -5.535 -14.121 1.00 0.00 N ATOM 1081 CA GLU A 69 112.394 -4.459 -14.262 1.00 0.00 C ATOM 1082 C GLU A 69 110.960 -4.974 -14.152 1.00 0.00 C ATOM 1083 O GLU A 69 110.730 -6.176 -14.010 1.00 0.00 O ATOM 1084 CB GLU A 69 112.634 -3.728 -15.583 1.00 0.00 C ATOM 1085 CG GLU A 69 113.977 -3.013 -15.607 1.00 0.00 C ATOM 1086 CD GLU A 69 114.433 -2.629 -16.997 1.00 0.00 C ATOM 1087 OE1 GLU A 69 115.004 -3.496 -17.693 1.00 0.00 O ATOM 1088 OE2 GLU A 69 114.259 -1.457 -17.384 1.00 0.00 O ATOM 0 H GLU A 69 113.807 -5.819 -14.995 1.00 0.00 H new ATOM 0 HA GLU A 69 112.530 -3.754 -13.442 1.00 0.00 H new ATOM 0 HB2 GLU A 69 112.590 -4.442 -16.405 1.00 0.00 H new ATOM 0 HB3 GLU A 69 111.836 -3.004 -15.746 1.00 0.00 H new ATOM 0 HG2 GLU A 69 113.912 -2.114 -14.994 1.00 0.00 H new ATOM 0 HG3 GLU A 69 114.730 -3.656 -15.151 1.00 0.00 H new ATOM 1095 N ALA A 70 110.010 -4.048 -14.224 1.00 0.00 N ATOM 1096 CA ALA A 70 108.608 -4.333 -13.927 1.00 0.00 C ATOM 1097 C ALA A 70 108.010 -5.403 -14.838 1.00 0.00 C ATOM 1098 O ALA A 70 107.727 -5.156 -16.014 1.00 0.00 O ATOM 1099 CB ALA A 70 107.788 -3.053 -14.009 1.00 0.00 C ATOM 0 H ALA A 70 110.188 -3.079 -14.489 1.00 0.00 H new ATOM 0 HA ALA A 70 108.573 -4.731 -12.913 1.00 0.00 H new ATOM 0 HB1 ALA A 70 106.744 -3.275 -13.786 1.00 0.00 H new ATOM 0 HB2 ALA A 70 108.168 -2.331 -13.286 1.00 0.00 H new ATOM 0 HB3 ALA A 70 107.864 -2.636 -15.013 1.00 0.00 H new ATOM 1105 N TYR A 71 107.831 -6.592 -14.278 1.00 0.00 N ATOM 1106 CA TYR A 71 107.122 -7.672 -14.950 1.00 0.00 C ATOM 1107 C TYR A 71 105.840 -7.972 -14.173 1.00 0.00 C ATOM 1108 O TYR A 71 105.740 -7.597 -13.012 1.00 0.00 O ATOM 1109 CB TYR A 71 108.009 -8.926 -15.041 1.00 0.00 C ATOM 1110 CG TYR A 71 108.384 -9.522 -13.697 1.00 0.00 C ATOM 1111 CD1 TYR A 71 107.575 -10.474 -13.089 1.00 0.00 C ATOM 1112 CD2 TYR A 71 109.545 -9.134 -13.040 1.00 0.00 C ATOM 1113 CE1 TYR A 71 107.908 -11.017 -11.865 1.00 0.00 C ATOM 1114 CE2 TYR A 71 109.885 -9.674 -11.816 1.00 0.00 C ATOM 1115 CZ TYR A 71 109.062 -10.615 -11.234 1.00 0.00 C ATOM 1116 OH TYR A 71 109.397 -11.159 -10.016 1.00 0.00 O ATOM 0 H TYR A 71 108.172 -6.834 -13.348 1.00 0.00 H new ATOM 0 HA TYR A 71 106.871 -7.371 -15.967 1.00 0.00 H new ATOM 0 HB2 TYR A 71 107.490 -9.683 -15.629 1.00 0.00 H new ATOM 0 HB3 TYR A 71 108.921 -8.673 -15.581 1.00 0.00 H new ATOM 0 HD1 TYR A 71 106.670 -10.795 -13.583 1.00 0.00 H new ATOM 0 HD2 TYR A 71 110.192 -8.398 -13.494 1.00 0.00 H new ATOM 0 HE1 TYR A 71 107.266 -11.754 -11.405 1.00 0.00 H new ATOM 0 HE2 TYR A 71 110.790 -9.361 -11.317 1.00 0.00 H new ATOM 0 HH TYR A 71 108.959 -10.653 -9.300 1.00 0.00 H new ATOM 1126 N PRO A 72 104.842 -8.628 -14.788 1.00 0.00 N ATOM 1127 CA PRO A 72 103.577 -8.954 -14.109 1.00 0.00 C ATOM 1128 C PRO A 72 103.781 -9.816 -12.860 1.00 0.00 C ATOM 1129 O PRO A 72 104.448 -10.851 -12.914 1.00 0.00 O ATOM 1130 CB PRO A 72 102.780 -9.731 -15.168 1.00 0.00 C ATOM 1131 CG PRO A 72 103.783 -10.154 -16.188 1.00 0.00 C ATOM 1132 CD PRO A 72 104.851 -9.099 -16.181 1.00 0.00 C ATOM 0 HA PRO A 72 103.074 -8.055 -13.754 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.279 -10.594 -14.728 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.006 -9.106 -15.614 1.00 0.00 H new ATOM 0 HG2 PRO A 72 104.199 -11.132 -15.944 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.325 -10.239 -17.174 1.00 0.00 H new ATOM 0 HD2 PRO A 72 105.822 -9.506 -16.463 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.627 -8.294 -16.881 1.00 0.00 H new ATOM 1140 N ASP A 73 103.204 -9.382 -11.741 1.00 0.00 N ATOM 1141 CA ASP A 73 103.316 -10.118 -10.481 1.00 0.00 C ATOM 1142 C ASP A 73 102.521 -11.418 -10.564 1.00 0.00 C ATOM 1143 O ASP A 73 101.360 -11.419 -10.979 1.00 0.00 O ATOM 1144 CB ASP A 73 102.811 -9.271 -9.300 1.00 0.00 C ATOM 1145 CG ASP A 73 103.077 -9.918 -7.942 1.00 0.00 C ATOM 1146 OD1 ASP A 73 102.540 -11.013 -7.680 1.00 0.00 O ATOM 1147 OD2 ASP A 73 103.811 -9.325 -7.123 1.00 0.00 O ATOM 0 H ASP A 73 102.654 -8.525 -11.680 1.00 0.00 H new ATOM 0 HA ASP A 73 104.368 -10.347 -10.313 1.00 0.00 H new ATOM 0 HB2 ASP A 73 103.291 -8.293 -9.330 1.00 0.00 H new ATOM 0 HB3 ASP A 73 101.740 -9.104 -9.412 1.00 0.00 H new ATOM 1152 N PRO A 74 103.144 -12.541 -10.173 1.00 0.00 N ATOM 1153 CA PRO A 74 102.521 -13.873 -10.214 1.00 0.00 C ATOM 1154 C PRO A 74 101.230 -13.980 -9.392 1.00 0.00 C ATOM 1155 O PRO A 74 100.500 -14.966 -9.510 1.00 0.00 O ATOM 1156 CB PRO A 74 103.599 -14.792 -9.629 1.00 0.00 C ATOM 1157 CG PRO A 74 104.876 -14.053 -9.818 1.00 0.00 C ATOM 1158 CD PRO A 74 104.528 -12.602 -9.677 1.00 0.00 C ATOM 0 HA PRO A 74 102.215 -14.126 -11.229 1.00 0.00 H new ATOM 0 HB2 PRO A 74 103.414 -14.997 -8.575 1.00 0.00 H new ATOM 0 HB3 PRO A 74 103.619 -15.754 -10.142 1.00 0.00 H new ATOM 0 HG2 PRO A 74 105.616 -14.352 -9.075 1.00 0.00 H new ATOM 0 HG3 PRO A 74 105.307 -14.259 -10.798 1.00 0.00 H new ATOM 0 HD2 PRO A 74 104.600 -12.269 -8.642 1.00 0.00 H new ATOM 0 HD3 PRO A 74 105.194 -11.969 -10.263 1.00 0.00 H new ATOM 1242 N PHE A 81 99.124 -5.962 -11.993 1.00 0.00 N ATOM 1243 CA PHE A 81 100.149 -5.493 -11.078 1.00 0.00 C ATOM 1244 C PHE A 81 101.509 -6.018 -11.503 1.00 0.00 C ATOM 1245 O PHE A 81 101.603 -7.032 -12.195 1.00 0.00 O ATOM 1246 CB PHE A 81 99.827 -5.928 -9.649 1.00 0.00 C ATOM 1247 CG PHE A 81 98.514 -5.391 -9.157 1.00 0.00 C ATOM 1248 CD1 PHE A 81 98.406 -4.075 -8.739 1.00 0.00 C ATOM 1249 CD2 PHE A 81 97.387 -6.196 -9.126 1.00 0.00 C ATOM 1250 CE1 PHE A 81 97.199 -3.572 -8.297 1.00 0.00 C ATOM 1251 CE2 PHE A 81 96.176 -5.698 -8.686 1.00 0.00 C ATOM 1252 CZ PHE A 81 96.082 -4.384 -8.271 1.00 0.00 C ATOM 0 HA PHE A 81 100.173 -4.404 -11.107 1.00 0.00 H new ATOM 0 HB2 PHE A 81 99.809 -7.017 -9.601 1.00 0.00 H new ATOM 0 HB3 PHE A 81 100.623 -5.593 -8.984 1.00 0.00 H new ATOM 0 HD1 PHE A 81 99.276 -3.435 -8.759 1.00 0.00 H new ATOM 0 HD2 PHE A 81 97.456 -7.224 -9.449 1.00 0.00 H new ATOM 0 HE1 PHE A 81 97.128 -2.545 -7.972 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.304 -6.335 -8.667 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.136 -3.992 -7.927 1.00 0.00 H new ATOM 1262 N VAL A 82 102.556 -5.324 -11.094 1.00 0.00 N ATOM 1263 CA VAL A 82 103.904 -5.689 -11.485 1.00 0.00 C ATOM 1264 C VAL A 82 104.756 -6.000 -10.265 1.00 0.00 C ATOM 1265 O VAL A 82 104.375 -5.691 -9.141 1.00 0.00 O ATOM 1266 CB VAL A 82 104.581 -4.580 -12.324 1.00 0.00 C ATOM 1267 CG1 VAL A 82 103.897 -4.438 -13.675 1.00 0.00 C ATOM 1268 CG2 VAL A 82 104.570 -3.254 -11.579 1.00 0.00 C ATOM 0 H VAL A 82 102.498 -4.504 -10.491 1.00 0.00 H new ATOM 0 HA VAL A 82 103.824 -6.582 -12.104 1.00 0.00 H new ATOM 0 HB VAL A 82 105.619 -4.868 -12.491 1.00 0.00 H new ATOM 0 HG11 VAL A 82 104.388 -3.653 -14.250 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.964 -5.381 -14.217 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.849 -4.178 -13.527 1.00 0.00 H new ATOM 0 HG21 VAL A 82 105.052 -2.490 -12.189 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.540 -2.960 -11.375 1.00 0.00 H new ATOM 0 HG23 VAL A 82 105.110 -3.361 -10.638 1.00 0.00 H new ATOM 1278 N CYS A 83 105.896 -6.616 -10.507 1.00 0.00 N ATOM 1279 CA CYS A 83 106.809 -7.012 -9.459 1.00 0.00 C ATOM 1280 C CYS A 83 108.242 -6.837 -9.943 1.00 0.00 C ATOM 1281 O CYS A 83 108.493 -6.805 -11.151 1.00 0.00 O ATOM 1282 CB CYS A 83 106.553 -8.472 -9.074 1.00 0.00 C ATOM 1283 SG CYS A 83 107.674 -9.120 -7.816 1.00 0.00 S ATOM 0 H CYS A 83 106.215 -6.857 -11.445 1.00 0.00 H new ATOM 0 HA CYS A 83 106.651 -6.386 -8.581 1.00 0.00 H new ATOM 0 HB2 CYS A 83 105.529 -8.565 -8.713 1.00 0.00 H new ATOM 0 HB3 CYS A 83 106.634 -9.090 -9.968 1.00 0.00 H new ATOM 0 HG CYS A 83 107.551 -8.424 -6.725 1.00 0.00 H new ATOM 1289 N VAL A 84 109.173 -6.717 -9.008 1.00 0.00 N ATOM 1290 CA VAL A 84 110.581 -6.565 -9.339 1.00 0.00 C ATOM 1291 C VAL A 84 111.440 -7.496 -8.487 1.00 0.00 C ATOM 1292 O VAL A 84 111.079 -7.834 -7.355 1.00 0.00 O ATOM 1293 CB VAL A 84 111.066 -5.107 -9.151 1.00 0.00 C ATOM 1294 CG1 VAL A 84 110.403 -4.180 -10.160 1.00 0.00 C ATOM 1295 CG2 VAL A 84 110.798 -4.626 -7.732 1.00 0.00 C ATOM 0 H VAL A 84 108.976 -6.722 -8.007 1.00 0.00 H new ATOM 0 HA VAL A 84 110.688 -6.829 -10.391 1.00 0.00 H new ATOM 0 HB VAL A 84 112.142 -5.087 -9.323 1.00 0.00 H new ATOM 0 HG11 VAL A 84 110.760 -3.161 -10.008 1.00 0.00 H new ATOM 0 HG12 VAL A 84 110.652 -4.504 -11.170 1.00 0.00 H new ATOM 0 HG13 VAL A 84 109.322 -4.209 -10.025 1.00 0.00 H new ATOM 0 HG21 VAL A 84 111.147 -3.599 -7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 84 109.728 -4.669 -7.529 1.00 0.00 H new ATOM 0 HG23 VAL A 84 111.327 -5.265 -7.025 1.00 0.00 H new ATOM 1305 N ASP A 85 112.561 -7.925 -9.045 1.00 0.00 N ATOM 1306 CA ASP A 85 113.518 -8.748 -8.313 1.00 0.00 C ATOM 1307 C ASP A 85 114.531 -7.854 -7.616 1.00 0.00 C ATOM 1308 O ASP A 85 115.222 -7.062 -8.263 1.00 0.00 O ATOM 1309 CB ASP A 85 114.240 -9.721 -9.252 1.00 0.00 C ATOM 1310 CG ASP A 85 113.722 -11.145 -9.151 1.00 0.00 C ATOM 1311 OD1 ASP A 85 112.580 -11.405 -9.588 1.00 0.00 O ATOM 1312 OD2 ASP A 85 114.468 -12.019 -8.651 1.00 0.00 O ATOM 0 H ASP A 85 112.833 -7.717 -10.006 1.00 0.00 H new ATOM 0 HA ASP A 85 112.974 -9.333 -7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 85 114.130 -9.373 -10.279 1.00 0.00 H new ATOM 0 HB3 ASP A 85 115.306 -9.712 -9.024 1.00 0.00 H new ATOM 1317 N ILE A 86 114.608 -7.972 -6.300 1.00 0.00 N ATOM 1318 CA ILE A 86 115.486 -7.124 -5.507 1.00 0.00 C ATOM 1319 C ILE A 86 116.600 -7.940 -4.861 1.00 0.00 C ATOM 1320 O ILE A 86 116.395 -9.090 -4.470 1.00 0.00 O ATOM 1321 CB ILE A 86 114.709 -6.373 -4.399 1.00 0.00 C ATOM 1322 CG1 ILE A 86 114.023 -7.364 -3.449 1.00 0.00 C ATOM 1323 CG2 ILE A 86 113.686 -5.429 -5.015 1.00 0.00 C ATOM 1324 CD1 ILE A 86 113.349 -6.709 -2.262 1.00 0.00 C ATOM 0 H ILE A 86 114.072 -8.648 -5.757 1.00 0.00 H new ATOM 0 HA ILE A 86 115.918 -6.395 -6.193 1.00 0.00 H new ATOM 0 HB ILE A 86 115.421 -5.784 -3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 86 113.280 -7.933 -4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 86 114.764 -8.077 -3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 86 113.148 -4.908 -4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 86 114.196 -4.701 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 86 112.980 -6.000 -5.618 1.00 0.00 H new ATOM 0 HD11 ILE A 86 112.887 -7.474 -1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 86 114.090 -6.163 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 86 112.584 -6.017 -2.614 1.00 0.00 H new ATOM 1336 N LYS A 87 117.781 -7.350 -4.764 1.00 0.00 N ATOM 1337 CA LYS A 87 118.890 -7.985 -4.067 1.00 0.00 C ATOM 1338 C LYS A 87 119.493 -7.029 -3.050 1.00 0.00 C ATOM 1339 O LYS A 87 119.674 -5.843 -3.334 1.00 0.00 O ATOM 1340 CB LYS A 87 119.978 -8.450 -5.047 1.00 0.00 C ATOM 1341 CG LYS A 87 120.660 -7.320 -5.808 1.00 0.00 C ATOM 1342 CD LYS A 87 121.910 -7.808 -6.530 1.00 0.00 C ATOM 1343 CE LYS A 87 122.539 -6.713 -7.384 1.00 0.00 C ATOM 1344 NZ LYS A 87 122.990 -5.547 -6.577 1.00 0.00 N ATOM 0 H LYS A 87 117.997 -6.434 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 87 118.496 -8.861 -3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 87 120.734 -9.008 -4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 87 119.534 -9.139 -5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 87 119.964 -6.895 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 87 120.927 -6.522 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 87 122.637 -8.160 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 87 121.655 -8.659 -7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 87 123.389 -7.125 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 87 121.817 -6.378 -8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 123.090 -4.716 -7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 122.289 -5.346 -5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 123.907 -5.763 -6.137 1.00 0.00 H new ATOM 1358 N ALA A 88 119.760 -7.536 -1.856 1.00 0.00 N ATOM 1359 CA ALA A 88 120.499 -6.784 -0.857 1.00 0.00 C ATOM 1360 C ALA A 88 121.907 -6.492 -1.360 1.00 0.00 C ATOM 1361 O ALA A 88 122.665 -7.409 -1.677 1.00 0.00 O ATOM 1362 CB ALA A 88 120.551 -7.552 0.454 1.00 0.00 C ATOM 0 H ALA A 88 119.474 -8.468 -1.556 1.00 0.00 H new ATOM 0 HA ALA A 88 119.987 -5.838 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 88 121.108 -6.975 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.537 -7.722 0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 88 121.045 -8.511 0.295 1.00 0.00 H new ATOM 1368 N ASP A 89 122.245 -5.218 -1.445 1.00 0.00 N ATOM 1369 CA ASP A 89 123.545 -4.805 -1.961 1.00 0.00 C ATOM 1370 C ASP A 89 124.551 -4.692 -0.826 1.00 0.00 C ATOM 1371 O ASP A 89 125.532 -5.438 -0.769 1.00 0.00 O ATOM 1372 CB ASP A 89 123.430 -3.462 -2.693 1.00 0.00 C ATOM 1373 CG ASP A 89 124.742 -3.016 -3.314 1.00 0.00 C ATOM 1374 OD1 ASP A 89 125.007 -3.392 -4.475 1.00 0.00 O ATOM 1375 OD2 ASP A 89 125.504 -2.279 -2.654 1.00 0.00 O ATOM 0 H ASP A 89 121.639 -4.448 -1.164 1.00 0.00 H new ATOM 0 HA ASP A 89 123.890 -5.560 -2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.673 -3.542 -3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 89 123.087 -2.700 -1.993 1.00 0.00 H new ATOM 1380 N LYS A 90 124.280 -3.776 0.088 1.00 0.00 N ATOM 1381 CA LYS A 90 125.159 -3.527 1.216 1.00 0.00 C ATOM 1382 C LYS A 90 124.346 -2.995 2.391 1.00 0.00 C ATOM 1383 O LYS A 90 123.544 -2.076 2.231 1.00 0.00 O ATOM 1384 CB LYS A 90 126.248 -2.528 0.813 1.00 0.00 C ATOM 1385 CG LYS A 90 127.171 -2.110 1.949 1.00 0.00 C ATOM 1386 CD LYS A 90 128.301 -1.221 1.450 1.00 0.00 C ATOM 1387 CE LYS A 90 127.770 -0.029 0.669 1.00 0.00 C ATOM 1388 NZ LYS A 90 128.864 0.846 0.175 1.00 0.00 N ATOM 0 H LYS A 90 123.448 -3.187 0.069 1.00 0.00 H new ATOM 0 HA LYS A 90 125.639 -4.458 1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 90 126.849 -2.966 0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 90 125.773 -1.638 0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 90 126.597 -1.579 2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 90 127.588 -2.997 2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 90 128.889 -0.869 2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 90 128.971 -1.803 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 90 127.180 -0.383 -0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 90 127.101 0.551 1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 128.458 1.646 -0.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 129.412 1.206 0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 129.489 0.300 -0.452 1.00 0.00 H new ATOM 1402 N PRO A 91 124.514 -3.589 3.577 1.00 0.00 N ATOM 1403 CA PRO A 91 123.773 -3.181 4.768 1.00 0.00 C ATOM 1404 C PRO A 91 124.366 -1.948 5.440 1.00 0.00 C ATOM 1405 O PRO A 91 125.557 -1.656 5.297 1.00 0.00 O ATOM 1406 CB PRO A 91 123.900 -4.400 5.677 1.00 0.00 C ATOM 1407 CG PRO A 91 125.215 -5.001 5.318 1.00 0.00 C ATOM 1408 CD PRO A 91 125.428 -4.715 3.852 1.00 0.00 C ATOM 0 HA PRO A 91 122.746 -2.899 4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 91 123.868 -4.115 6.729 1.00 0.00 H new ATOM 0 HB3 PRO A 91 123.084 -5.104 5.512 1.00 0.00 H new ATOM 0 HG2 PRO A 91 126.016 -4.570 5.918 1.00 0.00 H new ATOM 0 HG3 PRO A 91 125.217 -6.074 5.509 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.464 -4.450 3.643 1.00 0.00 H new ATOM 0 HD3 PRO A 91 125.191 -5.583 3.236 1.00 0.00 H new ATOM 1416 N LEU A 92 123.530 -1.230 6.175 1.00 0.00 N ATOM 1417 CA LEU A 92 123.979 -0.062 6.911 1.00 0.00 C ATOM 1418 C LEU A 92 124.525 -0.498 8.261 1.00 0.00 C ATOM 1419 O LEU A 92 123.935 -1.347 8.930 1.00 0.00 O ATOM 1420 CB LEU A 92 122.830 0.933 7.105 1.00 0.00 C ATOM 1421 CG LEU A 92 122.165 1.429 5.818 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.032 2.388 6.144 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.182 2.100 4.909 1.00 0.00 C ATOM 0 H LEU A 92 122.536 -1.437 6.276 1.00 0.00 H new ATOM 0 HA LEU A 92 124.765 0.434 6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.069 0.466 7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 92 123.208 1.795 7.654 1.00 0.00 H new ATOM 0 HG LEU A 92 121.753 0.568 5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 92 120.569 2.732 5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 92 120.287 1.877 6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 92 121.426 3.244 6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 92 122.687 2.444 4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 92 123.626 2.951 5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 92 123.963 1.386 4.648 1.00 0.00 H new ATOM 1435 N LYS A 93 125.653 0.069 8.656 1.00 0.00 N ATOM 1436 CA LYS A 93 126.294 -0.309 9.911 1.00 0.00 C ATOM 1437 C LYS A 93 125.632 0.391 11.088 1.00 0.00 C ATOM 1438 O LYS A 93 125.912 0.094 12.250 1.00 0.00 O ATOM 1439 CB LYS A 93 127.797 -0.015 9.862 1.00 0.00 C ATOM 1440 CG LYS A 93 128.609 -1.162 9.276 1.00 0.00 C ATOM 1441 CD LYS A 93 128.138 -1.535 7.878 1.00 0.00 C ATOM 1442 CE LYS A 93 128.331 -3.018 7.600 1.00 0.00 C ATOM 1443 NZ LYS A 93 127.528 -3.867 8.525 1.00 0.00 N ATOM 0 H LYS A 93 126.145 0.791 8.130 1.00 0.00 H new ATOM 0 HA LYS A 93 126.169 -1.383 10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 93 127.967 0.883 9.268 1.00 0.00 H new ATOM 0 HB3 LYS A 93 128.153 0.197 10.870 1.00 0.00 H new ATOM 0 HG2 LYS A 93 129.662 -0.881 9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 93 128.532 -2.032 9.929 1.00 0.00 H new ATOM 0 HD2 LYS A 93 127.085 -1.277 7.767 1.00 0.00 H new ATOM 0 HD3 LYS A 93 128.688 -0.951 7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 93 128.047 -3.234 6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 93 129.386 -3.271 7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 127.267 -4.752 8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 128.090 -4.086 9.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 126.666 -3.357 8.804 1.00 0.00 H new ATOM 1457 N THR A 94 124.759 1.326 10.773 1.00 0.00 N ATOM 1458 CA THR A 94 123.927 1.970 11.764 1.00 0.00 C ATOM 1459 C THR A 94 122.504 2.096 11.227 1.00 0.00 C ATOM 1460 O THR A 94 122.227 2.958 10.393 1.00 0.00 O ATOM 1461 CB THR A 94 124.472 3.364 12.130 1.00 0.00 C ATOM 1462 OG1 THR A 94 125.843 3.256 12.535 1.00 0.00 O ATOM 1463 CG2 THR A 94 123.658 3.991 13.252 1.00 0.00 C ATOM 0 H THR A 94 124.608 1.660 9.821 1.00 0.00 H new ATOM 0 HA THR A 94 123.930 1.359 12.667 1.00 0.00 H new ATOM 0 HB THR A 94 124.396 4.003 11.250 1.00 0.00 H new ATOM 0 HG1 THR A 94 126.187 4.144 12.766 1.00 0.00 H new ATOM 0 HG21 THR A 94 124.064 4.974 13.491 1.00 0.00 H new ATOM 0 HG22 THR A 94 122.620 4.094 12.935 1.00 0.00 H new ATOM 0 HG23 THR A 94 123.706 3.355 14.136 1.00 0.00 H new ATOM 1471 N PRO A 95 121.598 1.202 11.662 1.00 0.00 N ATOM 1472 CA PRO A 95 120.196 1.224 11.238 1.00 0.00 C ATOM 1473 C PRO A 95 119.566 2.594 11.455 1.00 0.00 C ATOM 1474 O PRO A 95 119.592 3.136 12.563 1.00 0.00 O ATOM 1475 CB PRO A 95 119.518 0.168 12.123 1.00 0.00 C ATOM 1476 CG PRO A 95 120.510 -0.157 13.191 1.00 0.00 C ATOM 1477 CD PRO A 95 121.864 0.104 12.597 1.00 0.00 C ATOM 0 HA PRO A 95 120.088 1.016 10.173 1.00 0.00 H new ATOM 0 HB2 PRO A 95 118.592 0.552 12.552 1.00 0.00 H new ATOM 0 HB3 PRO A 95 119.259 -0.719 11.546 1.00 0.00 H new ATOM 0 HG2 PRO A 95 120.347 0.460 14.075 1.00 0.00 H new ATOM 0 HG3 PRO A 95 120.417 -1.196 13.506 1.00 0.00 H new ATOM 0 HD2 PRO A 95 122.592 0.387 13.357 1.00 0.00 H new ATOM 0 HD3 PRO A 95 122.259 -0.775 12.088 1.00 0.00 H new ATOM 1485 N VAL A 96 119.009 3.151 10.393 1.00 0.00 N ATOM 1486 CA VAL A 96 118.463 4.495 10.438 1.00 0.00 C ATOM 1487 C VAL A 96 116.993 4.460 10.820 1.00 0.00 C ATOM 1488 O VAL A 96 116.124 4.265 9.972 1.00 0.00 O ATOM 1489 CB VAL A 96 118.630 5.221 9.085 1.00 0.00 C ATOM 1490 CG1 VAL A 96 118.045 6.624 9.146 1.00 0.00 C ATOM 1491 CG2 VAL A 96 120.098 5.270 8.687 1.00 0.00 C ATOM 0 H VAL A 96 118.923 2.691 9.487 1.00 0.00 H new ATOM 0 HA VAL A 96 119.021 5.048 11.194 1.00 0.00 H new ATOM 0 HB VAL A 96 118.083 4.660 8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 96 118.175 7.115 8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 96 116.983 6.565 9.383 1.00 0.00 H new ATOM 0 HG13 VAL A 96 118.558 7.199 9.917 1.00 0.00 H new ATOM 0 HG21 VAL A 96 120.199 5.785 7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 96 120.664 5.806 9.449 1.00 0.00 H new ATOM 0 HG23 VAL A 96 120.484 4.255 8.595 1.00 0.00 H new ATOM 1501 N THR A 97 116.724 4.625 12.104 1.00 0.00 N ATOM 1502 CA THR A 97 115.362 4.610 12.602 1.00 0.00 C ATOM 1503 C THR A 97 114.626 5.875 12.180 1.00 0.00 C ATOM 1504 O THR A 97 115.246 6.837 11.719 1.00 0.00 O ATOM 1505 CB THR A 97 115.333 4.487 14.139 1.00 0.00 C ATOM 1506 OG1 THR A 97 116.106 5.542 14.734 1.00 0.00 O ATOM 1507 CG2 THR A 97 115.882 3.140 14.582 1.00 0.00 C ATOM 0 H THR A 97 117.434 4.771 12.821 1.00 0.00 H new ATOM 0 HA THR A 97 114.863 3.741 12.173 1.00 0.00 H new ATOM 0 HB THR A 97 114.297 4.568 14.468 1.00 0.00 H new ATOM 0 HG1 THR A 97 116.080 5.456 15.710 1.00 0.00 H new ATOM 0 HG21 THR A 97 115.852 3.075 15.670 1.00 0.00 H new ATOM 0 HG22 THR A 97 115.276 2.341 14.154 1.00 0.00 H new ATOM 0 HG23 THR A 97 116.912 3.037 14.240 1.00 0.00 H new ATOM 1515 N LEU A 98 113.310 5.876 12.341 1.00 0.00 N ATOM 1516 CA LEU A 98 112.506 7.044 12.018 1.00 0.00 C ATOM 1517 C LEU A 98 112.912 8.216 12.908 1.00 0.00 C ATOM 1518 O LEU A 98 112.777 9.379 12.529 1.00 0.00 O ATOM 1519 CB LEU A 98 111.018 6.732 12.188 1.00 0.00 C ATOM 1520 CG LEU A 98 110.068 7.772 11.593 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.185 7.788 10.076 1.00 0.00 C ATOM 1522 CD2 LEU A 98 108.637 7.495 12.018 1.00 0.00 C ATOM 0 H LEU A 98 112.777 5.081 12.693 1.00 0.00 H new ATOM 0 HA LEU A 98 112.681 7.316 10.977 1.00 0.00 H new ATOM 0 HB2 LEU A 98 110.810 5.766 11.728 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.802 6.631 13.252 1.00 0.00 H new ATOM 0 HG LEU A 98 110.350 8.755 11.971 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.503 8.533 9.666 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.208 8.037 9.793 1.00 0.00 H new ATOM 0 HD13 LEU A 98 109.928 6.805 9.681 1.00 0.00 H new ATOM 0 HD21 LEU A 98 107.977 8.246 11.584 1.00 0.00 H new ATOM 0 HD22 LEU A 98 108.339 6.506 11.670 1.00 0.00 H new ATOM 0 HD23 LEU A 98 108.566 7.534 13.105 1.00 0.00 H new ATOM 1534 N ALA A 99 113.434 7.891 14.086 1.00 0.00 N ATOM 1535 CA ALA A 99 113.949 8.896 15.002 1.00 0.00 C ATOM 1536 C ALA A 99 115.209 9.540 14.433 1.00 0.00 C ATOM 1537 O ALA A 99 115.439 10.738 14.602 1.00 0.00 O ATOM 1538 CB ALA A 99 114.236 8.273 16.359 1.00 0.00 C ATOM 0 H ALA A 99 113.511 6.933 14.428 1.00 0.00 H new ATOM 0 HA ALA A 99 113.194 9.672 15.128 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.621 9.036 17.036 1.00 0.00 H new ATOM 0 HB2 ALA A 99 113.317 7.855 16.769 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.976 7.481 16.246 1.00 0.00 H new ATOM 1544 N ALA A 100 116.014 8.739 13.744 1.00 0.00 N ATOM 1545 CA ALA A 100 117.231 9.235 13.114 1.00 0.00 C ATOM 1546 C ALA A 100 116.895 10.079 11.892 1.00 0.00 C ATOM 1547 O ALA A 100 117.604 11.029 11.568 1.00 0.00 O ATOM 1548 CB ALA A 100 118.143 8.080 12.733 1.00 0.00 C ATOM 0 H ALA A 100 115.845 7.742 13.608 1.00 0.00 H new ATOM 0 HA ALA A 100 117.757 9.865 13.831 1.00 0.00 H new ATOM 0 HB1 ALA A 100 119.047 8.469 12.264 1.00 0.00 H new ATOM 0 HB2 ALA A 100 118.412 7.518 13.628 1.00 0.00 H new ATOM 0 HB3 ALA A 100 117.625 7.423 12.034 1.00 0.00 H new ATOM 1554 N VAL A 101 115.804 9.728 11.221 1.00 0.00 N ATOM 1555 CA VAL A 101 115.313 10.513 10.095 1.00 0.00 C ATOM 1556 C VAL A 101 114.889 11.898 10.575 1.00 0.00 C ATOM 1557 O VAL A 101 115.157 12.908 9.926 1.00 0.00 O ATOM 1558 CB VAL A 101 114.119 9.821 9.400 1.00 0.00 C ATOM 1559 CG1 VAL A 101 113.620 10.642 8.220 1.00 0.00 C ATOM 1560 CG2 VAL A 101 114.502 8.421 8.947 1.00 0.00 C ATOM 0 H VAL A 101 115.242 8.904 11.437 1.00 0.00 H new ATOM 0 HA VAL A 101 116.123 10.602 9.372 1.00 0.00 H new ATOM 0 HB VAL A 101 113.309 9.744 10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 101 112.780 10.131 7.750 1.00 0.00 H new ATOM 0 HG12 VAL A 101 113.298 11.623 8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 101 114.424 10.761 7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 101 113.648 7.950 8.460 1.00 0.00 H new ATOM 0 HG22 VAL A 101 115.333 8.481 8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 101 114.800 7.828 9.811 1.00 0.00 H new ATOM 1570 N LYS A 102 114.252 11.936 11.740 1.00 0.00 N ATOM 1571 CA LYS A 102 113.814 13.192 12.337 1.00 0.00 C ATOM 1572 C LYS A 102 114.978 13.941 12.985 1.00 0.00 C ATOM 1573 O LYS A 102 114.813 15.064 13.466 1.00 0.00 O ATOM 1574 CB LYS A 102 112.715 12.942 13.372 1.00 0.00 C ATOM 1575 CG LYS A 102 111.367 12.601 12.761 1.00 0.00 C ATOM 1576 CD LYS A 102 110.297 12.441 13.829 1.00 0.00 C ATOM 1577 CE LYS A 102 108.903 12.384 13.225 1.00 0.00 C ATOM 1578 NZ LYS A 102 108.547 13.649 12.524 1.00 0.00 N ATOM 0 H LYS A 102 114.027 11.108 12.291 1.00 0.00 H new ATOM 0 HA LYS A 102 113.415 13.813 11.535 1.00 0.00 H new ATOM 0 HB2 LYS A 102 113.024 12.127 14.027 1.00 0.00 H new ATOM 0 HB3 LYS A 102 112.607 13.829 13.996 1.00 0.00 H new ATOM 0 HG2 LYS A 102 111.073 13.386 12.064 1.00 0.00 H new ATOM 0 HG3 LYS A 102 111.450 11.679 12.186 1.00 0.00 H new ATOM 0 HD2 LYS A 102 110.484 11.530 14.398 1.00 0.00 H new ATOM 0 HD3 LYS A 102 110.356 13.273 14.530 1.00 0.00 H new ATOM 0 HE2 LYS A 102 108.846 11.552 12.523 1.00 0.00 H new ATOM 0 HE3 LYS A 102 108.175 12.188 14.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 107.548 13.876 12.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 109.146 14.422 12.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 108.698 13.534 11.501 1.00 0.00 H new ATOM 1592 N ALA A 103 116.151 13.320 12.999 1.00 0.00 N ATOM 1593 CA ALA A 103 117.338 13.946 13.566 1.00 0.00 C ATOM 1594 C ALA A 103 118.007 14.853 12.538 1.00 0.00 C ATOM 1595 O ALA A 103 118.926 15.607 12.860 1.00 0.00 O ATOM 1596 CB ALA A 103 118.316 12.891 14.064 1.00 0.00 C ATOM 0 H ALA A 103 116.305 12.384 12.624 1.00 0.00 H new ATOM 0 HA ALA A 103 117.031 14.556 14.416 1.00 0.00 H new ATOM 0 HB1 ALA A 103 119.196 13.379 14.484 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.837 12.284 14.832 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.617 12.253 13.233 1.00 0.00 H new ATOM 1602 N GLU A 104 117.535 14.770 11.301 1.00 0.00 N ATOM 1603 CA GLU A 104 118.038 15.606 10.225 1.00 0.00 C ATOM 1604 C GLU A 104 116.868 16.210 9.452 1.00 0.00 C ATOM 1605 O GLU A 104 116.179 15.513 8.710 1.00 0.00 O ATOM 1606 CB GLU A 104 118.944 14.786 9.298 1.00 0.00 C ATOM 1607 CG GLU A 104 119.496 15.566 8.112 1.00 0.00 C ATOM 1608 CD GLU A 104 120.221 16.831 8.521 1.00 0.00 C ATOM 1609 OE1 GLU A 104 121.330 16.733 9.092 1.00 0.00 O ATOM 1610 OE2 GLU A 104 119.678 17.929 8.278 1.00 0.00 O ATOM 0 H GLU A 104 116.797 14.125 11.019 1.00 0.00 H new ATOM 0 HA GLU A 104 118.631 16.418 10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 104 119.778 14.392 9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 104 118.383 13.929 8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 104 120.179 14.928 7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 104 118.677 15.824 7.441 1.00 0.00 H new ATOM 1617 N PRO A 105 116.624 17.517 9.636 1.00 0.00 N ATOM 1618 CA PRO A 105 115.511 18.230 8.992 1.00 0.00 C ATOM 1619 C PRO A 105 115.527 18.126 7.465 1.00 0.00 C ATOM 1620 O PRO A 105 114.492 18.281 6.816 1.00 0.00 O ATOM 1621 CB PRO A 105 115.703 19.689 9.428 1.00 0.00 C ATOM 1622 CG PRO A 105 117.090 19.766 9.968 1.00 0.00 C ATOM 1623 CD PRO A 105 117.405 18.405 10.507 1.00 0.00 C ATOM 0 HA PRO A 105 114.553 17.803 9.288 1.00 0.00 H new ATOM 0 HB2 PRO A 105 115.571 20.370 8.587 1.00 0.00 H new ATOM 0 HB3 PRO A 105 114.971 19.972 10.185 1.00 0.00 H new ATOM 0 HG2 PRO A 105 117.796 20.049 9.187 1.00 0.00 H new ATOM 0 HG3 PRO A 105 117.161 20.521 10.751 1.00 0.00 H new ATOM 0 HD2 PRO A 105 118.472 18.187 10.454 1.00 0.00 H new ATOM 0 HD3 PRO A 105 117.111 18.307 11.552 1.00 0.00 H new ATOM 1631 N ARG A 106 116.695 17.858 6.887 1.00 0.00 N ATOM 1632 CA ARG A 106 116.793 17.696 5.438 1.00 0.00 C ATOM 1633 C ARG A 106 116.199 16.358 5.009 1.00 0.00 C ATOM 1634 O ARG A 106 115.794 16.184 3.859 1.00 0.00 O ATOM 1635 CB ARG A 106 118.246 17.806 4.964 1.00 0.00 C ATOM 1636 CG ARG A 106 118.923 19.102 5.377 1.00 0.00 C ATOM 1637 CD ARG A 106 120.189 19.368 4.575 1.00 0.00 C ATOM 1638 NE ARG A 106 121.132 18.250 4.610 1.00 0.00 N ATOM 1639 CZ ARG A 106 122.249 18.238 5.337 1.00 0.00 C ATOM 1640 NH1 ARG A 106 122.530 19.247 6.150 1.00 0.00 N ATOM 1641 NH2 ARG A 106 123.085 17.213 5.247 1.00 0.00 N ATOM 0 H ARG A 106 117.575 17.750 7.390 1.00 0.00 H new ATOM 0 HA ARG A 106 116.223 18.501 4.973 1.00 0.00 H new ATOM 0 HB2 ARG A 106 118.814 16.966 5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 106 118.273 17.722 3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 106 118.229 19.932 5.243 1.00 0.00 H new ATOM 0 HG3 ARG A 106 119.169 19.060 6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 106 119.920 19.577 3.540 1.00 0.00 H new ATOM 0 HD3 ARG A 106 120.678 20.261 4.964 1.00 0.00 H new ATOM 0 HE ARG A 106 120.922 17.429 4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 106 121.890 20.038 6.221 1.00 0.00 H new ATOM 0 HH12 ARG A 106 123.386 19.232 6.704 1.00 0.00 H new ATOM 0 HH21 ARG A 106 122.873 16.435 4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 106 123.940 17.202 5.803 1.00 0.00 H new ATOM 1655 N LEU A 107 116.139 15.420 5.945 1.00 0.00 N ATOM 1656 CA LEU A 107 115.574 14.103 5.681 1.00 0.00 C ATOM 1657 C LEU A 107 114.129 14.040 6.155 1.00 0.00 C ATOM 1658 O LEU A 107 113.346 13.210 5.696 1.00 0.00 O ATOM 1659 CB LEU A 107 116.400 13.024 6.377 1.00 0.00 C ATOM 1660 CG LEU A 107 117.855 12.932 5.916 1.00 0.00 C ATOM 1661 CD1 LEU A 107 118.605 11.888 6.724 1.00 0.00 C ATOM 1662 CD2 LEU A 107 117.922 12.610 4.429 1.00 0.00 C ATOM 0 H LEU A 107 116.477 15.548 6.899 1.00 0.00 H new ATOM 0 HA LEU A 107 115.597 13.927 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 107 116.385 13.211 7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 107 115.921 12.059 6.215 1.00 0.00 H new ATOM 0 HG LEU A 107 118.332 13.898 6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 107 119.639 11.837 6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 107 118.585 12.161 7.779 1.00 0.00 H new ATOM 0 HD13 LEU A 107 118.130 10.916 6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 107 118.964 12.548 4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 107 117.429 11.656 4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 107 117.420 13.395 3.864 1.00 0.00 H new ATOM 1674 N ALA A 108 113.777 14.946 7.059 1.00 0.00 N ATOM 1675 CA ALA A 108 112.425 15.019 7.601 1.00 0.00 C ATOM 1676 C ALA A 108 111.452 15.606 6.580 1.00 0.00 C ATOM 1677 O ALA A 108 110.281 15.841 6.879 1.00 0.00 O ATOM 1678 CB ALA A 108 112.418 15.844 8.880 1.00 0.00 C ATOM 0 H ALA A 108 114.416 15.647 7.435 1.00 0.00 H new ATOM 0 HA ALA A 108 112.095 14.006 7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 108 111.404 15.892 9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 108 113.074 15.379 9.616 1.00 0.00 H new ATOM 0 HB3 ALA A 108 112.772 16.852 8.665 1.00 0.00 H new ATOM 1684 N ASP A 109 111.943 15.847 5.375 1.00 0.00 N ATOM 1685 CA ASP A 109 111.111 16.362 4.300 1.00 0.00 C ATOM 1686 C ASP A 109 110.800 15.254 3.296 1.00 0.00 C ATOM 1687 O ASP A 109 109.992 15.430 2.384 1.00 0.00 O ATOM 1688 CB ASP A 109 111.812 17.533 3.607 1.00 0.00 C ATOM 1689 CG ASP A 109 110.911 18.253 2.625 1.00 0.00 C ATOM 1690 OD1 ASP A 109 109.885 18.816 3.062 1.00 0.00 O ATOM 1691 OD2 ASP A 109 111.222 18.261 1.417 1.00 0.00 O ATOM 0 H ASP A 109 112.918 15.693 5.116 1.00 0.00 H new ATOM 0 HA ASP A 109 110.171 16.720 4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 109 112.161 18.240 4.360 1.00 0.00 H new ATOM 0 HB3 ASP A 109 112.694 17.165 3.083 1.00 0.00 H new ATOM 1696 N MET A 110 111.430 14.101 3.495 1.00 0.00 N ATOM 1697 CA MET A 110 111.251 12.950 2.610 1.00 0.00 C ATOM 1698 C MET A 110 109.828 12.400 2.730 1.00 0.00 C ATOM 1699 O MET A 110 109.143 12.646 3.728 1.00 0.00 O ATOM 1700 CB MET A 110 112.261 11.853 2.973 1.00 0.00 C ATOM 1701 CG MET A 110 112.314 10.704 1.977 1.00 0.00 C ATOM 1702 SD MET A 110 113.092 9.224 2.653 1.00 0.00 S ATOM 1703 CE MET A 110 114.729 9.837 3.040 1.00 0.00 C ATOM 0 H MET A 110 112.075 13.936 4.268 1.00 0.00 H new ATOM 0 HA MET A 110 111.418 13.271 1.582 1.00 0.00 H new ATOM 0 HB2 MET A 110 113.253 12.298 3.051 1.00 0.00 H new ATOM 0 HB3 MET A 110 112.012 11.456 3.957 1.00 0.00 H new ATOM 0 HG2 MET A 110 111.301 10.461 1.656 1.00 0.00 H new ATOM 0 HG3 MET A 110 112.862 11.023 1.090 1.00 0.00 H new ATOM 0 HE1 MET A 110 115.463 9.050 2.865 1.00 0.00 H new ATOM 0 HE2 MET A 110 114.956 10.694 2.405 1.00 0.00 H new ATOM 0 HE3 MET A 110 114.766 10.141 4.086 1.00 0.00 H new ATOM 1713 N ALA A 111 109.390 11.646 1.721 1.00 0.00 N ATOM 1714 CA ALA A 111 108.062 11.032 1.732 1.00 0.00 C ATOM 1715 C ALA A 111 107.894 10.093 2.925 1.00 0.00 C ATOM 1716 O ALA A 111 106.778 9.797 3.338 1.00 0.00 O ATOM 1717 CB ALA A 111 107.811 10.278 0.432 1.00 0.00 C ATOM 0 H ALA A 111 109.937 11.446 0.884 1.00 0.00 H new ATOM 0 HA ALA A 111 107.328 11.832 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 111 106.819 9.828 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 111 107.874 10.970 -0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 111 108.561 9.496 0.314 1.00 0.00 H new ATOM 1723 N LEU A 112 109.012 9.654 3.493 1.00 0.00 N ATOM 1724 CA LEU A 112 109.000 8.749 4.640 1.00 0.00 C ATOM 1725 C LEU A 112 108.430 9.444 5.875 1.00 0.00 C ATOM 1726 O LEU A 112 107.973 8.794 6.818 1.00 0.00 O ATOM 1727 CB LEU A 112 110.425 8.259 4.926 1.00 0.00 C ATOM 1728 CG LEU A 112 110.555 7.213 6.037 1.00 0.00 C ATOM 1729 CD1 LEU A 112 109.865 5.920 5.636 1.00 0.00 C ATOM 1730 CD2 LEU A 112 112.020 6.958 6.358 1.00 0.00 C ATOM 0 H LEU A 112 109.946 9.912 3.175 1.00 0.00 H new ATOM 0 HA LEU A 112 108.363 7.897 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 112 110.837 7.841 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 112 111.040 9.120 5.188 1.00 0.00 H new ATOM 0 HG LEU A 112 110.067 7.599 6.932 1.00 0.00 H new ATOM 0 HD11 LEU A 112 109.968 5.189 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 112 108.808 6.113 5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 112 110.324 5.529 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 112 112.095 6.212 7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 112 112.530 6.593 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 112 112.487 7.886 6.689 1.00 0.00 H new ATOM 1742 N MET A 113 108.447 10.768 5.855 1.00 0.00 N ATOM 1743 CA MET A 113 108.003 11.555 6.994 1.00 0.00 C ATOM 1744 C MET A 113 106.551 11.991 6.829 1.00 0.00 C ATOM 1745 O MET A 113 105.863 12.288 7.807 1.00 0.00 O ATOM 1746 CB MET A 113 108.891 12.792 7.145 1.00 0.00 C ATOM 1747 CG MET A 113 108.715 13.526 8.466 1.00 0.00 C ATOM 1748 SD MET A 113 109.865 12.970 9.741 1.00 0.00 S ATOM 1749 CE MET A 113 109.507 11.217 9.817 1.00 0.00 C ATOM 0 H MET A 113 108.765 11.321 5.059 1.00 0.00 H new ATOM 0 HA MET A 113 108.078 10.933 7.886 1.00 0.00 H new ATOM 0 HB2 MET A 113 109.934 12.492 7.045 1.00 0.00 H new ATOM 0 HB3 MET A 113 108.678 13.481 6.328 1.00 0.00 H new ATOM 0 HG2 MET A 113 108.852 14.595 8.302 1.00 0.00 H new ATOM 0 HG3 MET A 113 107.694 13.386 8.820 1.00 0.00 H new ATOM 0 HE1 MET A 113 109.982 10.786 10.698 1.00 0.00 H new ATOM 0 HE2 MET A 113 108.429 11.068 9.877 1.00 0.00 H new ATOM 0 HE3 MET A 113 109.892 10.728 8.922 1.00 0.00 H new ATOM 1759 N LYS A 114 106.086 12.024 5.587 1.00 0.00 N ATOM 1760 CA LYS A 114 104.777 12.591 5.287 1.00 0.00 C ATOM 1761 C LYS A 114 103.806 11.532 4.771 1.00 0.00 C ATOM 1762 O LYS A 114 102.603 11.608 5.019 1.00 0.00 O ATOM 1763 CB LYS A 114 104.925 13.713 4.252 1.00 0.00 C ATOM 1764 CG LYS A 114 105.984 14.741 4.622 1.00 0.00 C ATOM 1765 CD LYS A 114 106.096 15.841 3.579 1.00 0.00 C ATOM 1766 CE LYS A 114 107.276 16.756 3.868 1.00 0.00 C ATOM 1767 NZ LYS A 114 107.369 17.877 2.896 1.00 0.00 N ATOM 0 H LYS A 114 106.591 11.668 4.776 1.00 0.00 H new ATOM 0 HA LYS A 114 104.366 12.994 6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 114 105.176 13.275 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 114 103.966 14.217 4.134 1.00 0.00 H new ATOM 0 HG2 LYS A 114 105.740 15.181 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 114 106.948 14.245 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 114 106.210 15.397 2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 114 105.176 16.425 3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 114 107.183 17.159 4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 114 108.198 16.176 3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 108.342 18.244 2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 107.113 17.536 1.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 106.717 18.637 3.179 1.00 0.00 H new ATOM 1781 N TYR A 115 104.325 10.544 4.056 1.00 0.00 N ATOM 1782 CA TYR A 115 103.484 9.535 3.428 1.00 0.00 C ATOM 1783 C TYR A 115 103.881 8.139 3.900 1.00 0.00 C ATOM 1784 O TYR A 115 104.702 7.462 3.277 1.00 0.00 O ATOM 1785 CB TYR A 115 103.589 9.632 1.903 1.00 0.00 C ATOM 1786 CG TYR A 115 103.426 11.043 1.374 1.00 0.00 C ATOM 1787 CD1 TYR A 115 102.184 11.667 1.364 1.00 0.00 C ATOM 1788 CD2 TYR A 115 104.519 11.751 0.890 1.00 0.00 C ATOM 1789 CE1 TYR A 115 102.038 12.956 0.888 1.00 0.00 C ATOM 1790 CE2 TYR A 115 104.381 13.040 0.414 1.00 0.00 C ATOM 1791 CZ TYR A 115 103.139 13.638 0.414 1.00 0.00 C ATOM 1792 OH TYR A 115 102.999 14.922 -0.061 1.00 0.00 O ATOM 0 H TYR A 115 105.325 10.420 3.896 1.00 0.00 H new ATOM 0 HA TYR A 115 102.449 9.716 3.719 1.00 0.00 H new ATOM 0 HB2 TYR A 115 104.558 9.244 1.588 1.00 0.00 H new ATOM 0 HB3 TYR A 115 102.829 8.994 1.453 1.00 0.00 H new ATOM 0 HD1 TYR A 115 101.319 11.136 1.734 1.00 0.00 H new ATOM 0 HD2 TYR A 115 105.493 11.285 0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 115 101.066 13.427 0.887 1.00 0.00 H new ATOM 0 HE2 TYR A 115 105.242 13.577 0.044 1.00 0.00 H new ATOM 0 HH TYR A 115 103.871 15.259 -0.356 1.00 0.00 H new ATOM 1802 N SER A 116 103.309 7.721 5.018 1.00 0.00 N ATOM 1803 CA SER A 116 103.631 6.428 5.604 1.00 0.00 C ATOM 1804 C SER A 116 102.983 5.286 4.825 1.00 0.00 C ATOM 1805 O SER A 116 103.558 4.205 4.694 1.00 0.00 O ATOM 1806 CB SER A 116 103.172 6.397 7.062 1.00 0.00 C ATOM 1807 OG SER A 116 103.637 7.542 7.757 1.00 0.00 O ATOM 0 H SER A 116 102.617 8.260 5.540 1.00 0.00 H new ATOM 0 HA SER A 116 104.711 6.291 5.557 1.00 0.00 H new ATOM 0 HB2 SER A 116 102.084 6.356 7.105 1.00 0.00 H new ATOM 0 HB3 SER A 116 103.544 5.495 7.547 1.00 0.00 H new ATOM 0 HG SER A 116 103.332 7.506 8.688 1.00 0.00 H new ATOM 1813 N ARG A 117 101.799 5.544 4.282 1.00 0.00 N ATOM 1814 CA ARG A 117 101.027 4.509 3.600 1.00 0.00 C ATOM 1815 C ARG A 117 101.589 4.209 2.216 1.00 0.00 C ATOM 1816 O ARG A 117 101.174 3.250 1.565 1.00 0.00 O ATOM 1817 CB ARG A 117 99.557 4.917 3.500 1.00 0.00 C ATOM 1818 CG ARG A 117 98.907 5.125 4.855 1.00 0.00 C ATOM 1819 CD ARG A 117 97.415 5.374 4.737 1.00 0.00 C ATOM 1820 NE ARG A 117 96.806 5.637 6.038 1.00 0.00 N ATOM 1821 CZ ARG A 117 95.671 5.079 6.456 1.00 0.00 C ATOM 1822 NH1 ARG A 117 95.056 4.173 5.705 1.00 0.00 N ATOM 1823 NH2 ARG A 117 95.164 5.410 7.637 1.00 0.00 N ATOM 0 H ARG A 117 101.352 6.460 4.300 1.00 0.00 H new ATOM 0 HA ARG A 117 101.102 3.598 4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 117 99.479 5.837 2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 117 99.009 4.149 2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 117 99.080 4.248 5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 117 99.377 5.971 5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 117 97.239 6.222 4.075 1.00 0.00 H new ATOM 0 HD3 ARG A 117 96.937 4.508 4.280 1.00 0.00 H new ATOM 0 HE ARG A 117 97.279 6.288 6.665 1.00 0.00 H new ATOM 0 HH11 ARG A 117 95.453 3.902 4.805 1.00 0.00 H new ATOM 0 HH12 ARG A 117 94.187 3.748 6.028 1.00 0.00 H new ATOM 0 HH21 ARG A 117 95.643 6.092 8.225 1.00 0.00 H new ATOM 0 HH22 ARG A 117 94.295 4.983 7.957 1.00 0.00 H new ATOM 1837 N LEU A 118 102.522 5.033 1.764 1.00 0.00 N ATOM 1838 CA LEU A 118 103.213 4.778 0.513 1.00 0.00 C ATOM 1839 C LEU A 118 104.339 3.781 0.761 1.00 0.00 C ATOM 1840 O LEU A 118 105.388 4.138 1.295 1.00 0.00 O ATOM 1841 CB LEU A 118 103.763 6.080 -0.076 1.00 0.00 C ATOM 1842 CG LEU A 118 104.356 5.962 -1.481 1.00 0.00 C ATOM 1843 CD1 LEU A 118 103.310 5.462 -2.467 1.00 0.00 C ATOM 1844 CD2 LEU A 118 104.916 7.302 -1.934 1.00 0.00 C ATOM 0 H LEU A 118 102.817 5.883 2.245 1.00 0.00 H new ATOM 0 HA LEU A 118 102.512 4.359 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 118 102.960 6.817 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.531 6.466 0.594 1.00 0.00 H new ATOM 0 HG LEU A 118 105.170 5.237 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 118 103.753 5.386 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 118 102.953 4.481 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.474 6.161 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 118 105.334 7.202 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 118 104.118 8.044 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 118 105.698 7.621 -1.245 1.00 0.00 H new ATOM 1856 N SER A 119 104.092 2.525 0.412 1.00 0.00 N ATOM 1857 CA SER A 119 105.040 1.447 0.671 1.00 0.00 C ATOM 1858 C SER A 119 106.267 1.548 -0.233 1.00 0.00 C ATOM 1859 O SER A 119 107.361 1.124 0.139 1.00 0.00 O ATOM 1860 CB SER A 119 104.345 0.103 0.467 1.00 0.00 C ATOM 1861 OG SER A 119 103.101 0.076 1.149 1.00 0.00 O ATOM 0 H SER A 119 103.236 2.225 -0.055 1.00 0.00 H new ATOM 0 HA SER A 119 105.384 1.533 1.702 1.00 0.00 H new ATOM 0 HB2 SER A 119 104.187 -0.073 -0.597 1.00 0.00 H new ATOM 0 HB3 SER A 119 104.983 -0.702 0.832 1.00 0.00 H new ATOM 0 HG SER A 119 102.668 -0.792 1.006 1.00 0.00 H new ATOM 1867 N VAL A 120 106.076 2.104 -1.421 1.00 0.00 N ATOM 1868 CA VAL A 120 107.169 2.292 -2.361 1.00 0.00 C ATOM 1869 C VAL A 120 107.296 3.767 -2.714 1.00 0.00 C ATOM 1870 O VAL A 120 106.551 4.285 -3.546 1.00 0.00 O ATOM 1871 CB VAL A 120 106.971 1.465 -3.652 1.00 0.00 C ATOM 1872 CG1 VAL A 120 108.139 1.664 -4.605 1.00 0.00 C ATOM 1873 CG2 VAL A 120 106.793 -0.012 -3.327 1.00 0.00 C ATOM 0 H VAL A 120 105.171 2.433 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 120 108.082 1.943 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 120 106.064 1.819 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 120 107.978 1.073 -5.506 1.00 0.00 H new ATOM 0 HG12 VAL A 120 108.216 2.718 -4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 120 109.062 1.344 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 120 106.655 -0.574 -4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 120 107.678 -0.379 -2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 120 105.918 -0.141 -2.690 1.00 0.00 H new ATOM 1883 N GLN A 121 108.223 4.440 -2.056 1.00 0.00 N ATOM 1884 CA GLN A 121 108.409 5.873 -2.241 1.00 0.00 C ATOM 1885 C GLN A 121 109.737 6.164 -2.932 1.00 0.00 C ATOM 1886 O GLN A 121 110.677 5.377 -2.833 1.00 0.00 O ATOM 1887 CB GLN A 121 108.357 6.581 -0.887 1.00 0.00 C ATOM 1888 CG GLN A 121 109.285 5.962 0.138 1.00 0.00 C ATOM 1889 CD GLN A 121 109.395 6.776 1.406 1.00 0.00 C ATOM 1890 OE1 GLN A 121 108.609 6.609 2.340 1.00 0.00 O ATOM 1891 NE2 GLN A 121 110.385 7.653 1.454 1.00 0.00 N ATOM 0 H GLN A 121 108.863 4.017 -1.384 1.00 0.00 H new ATOM 0 HA GLN A 121 107.605 6.247 -2.875 1.00 0.00 H new ATOM 0 HB2 GLN A 121 108.620 7.630 -1.021 1.00 0.00 H new ATOM 0 HB3 GLN A 121 107.335 6.554 -0.508 1.00 0.00 H new ATOM 0 HG2 GLN A 121 108.928 4.962 0.385 1.00 0.00 H new ATOM 0 HG3 GLN A 121 110.276 5.848 -0.300 1.00 0.00 H new ATOM 0 HE21 GLN A 121 111.012 7.758 0.657 1.00 0.00 H new ATOM 0 HE22 GLN A 121 110.521 8.224 2.288 1.00 0.00 H new ATOM 1900 N PRO A 122 109.823 7.289 -3.660 1.00 0.00 N ATOM 1901 CA PRO A 122 111.051 7.718 -4.324 1.00 0.00 C ATOM 1902 C PRO A 122 111.978 8.494 -3.387 1.00 0.00 C ATOM 1903 O PRO A 122 111.522 9.188 -2.475 1.00 0.00 O ATOM 1904 CB PRO A 122 110.549 8.635 -5.454 1.00 0.00 C ATOM 1905 CG PRO A 122 109.057 8.706 -5.311 1.00 0.00 C ATOM 1906 CD PRO A 122 108.733 8.226 -3.925 1.00 0.00 C ATOM 0 HA PRO A 122 111.639 6.869 -4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 122 110.994 9.627 -5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 122 110.827 8.237 -6.430 1.00 0.00 H new ATOM 0 HG2 PRO A 122 108.702 9.726 -5.460 1.00 0.00 H new ATOM 0 HG3 PRO A 122 108.566 8.085 -6.060 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.715 9.044 -3.205 1.00 0.00 H new ATOM 0 HD3 PRO A 122 107.758 7.740 -3.880 1.00 0.00 H new ATOM 1914 N VAL A 123 113.277 8.364 -3.614 1.00 0.00 N ATOM 1915 CA VAL A 123 114.282 9.089 -2.848 1.00 0.00 C ATOM 1916 C VAL A 123 115.283 9.737 -3.799 1.00 0.00 C ATOM 1917 O VAL A 123 115.745 9.099 -4.744 1.00 0.00 O ATOM 1918 CB VAL A 123 115.040 8.152 -1.875 1.00 0.00 C ATOM 1919 CG1 VAL A 123 116.122 8.906 -1.120 1.00 0.00 C ATOM 1920 CG2 VAL A 123 114.084 7.492 -0.896 1.00 0.00 C ATOM 0 H VAL A 123 113.664 7.754 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 123 113.769 9.851 -2.262 1.00 0.00 H new ATOM 0 HB VAL A 123 115.514 7.374 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.637 8.223 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 123 116.837 9.323 -1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.669 9.713 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 123 114.643 6.840 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.572 8.259 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 123 113.349 6.903 -1.446 1.00 0.00 H new ATOM 1930 N THR A 124 115.605 11.003 -3.569 1.00 0.00 N ATOM 1931 CA THR A 124 116.574 11.693 -4.409 1.00 0.00 C ATOM 1932 C THR A 124 117.996 11.343 -3.977 1.00 0.00 C ATOM 1933 O THR A 124 118.204 10.820 -2.884 1.00 0.00 O ATOM 1934 CB THR A 124 116.373 13.220 -4.367 1.00 0.00 C ATOM 1935 OG1 THR A 124 116.445 13.690 -3.017 1.00 0.00 O ATOM 1936 CG2 THR A 124 115.032 13.608 -4.973 1.00 0.00 C ATOM 0 H THR A 124 115.214 11.568 -2.815 1.00 0.00 H new ATOM 0 HA THR A 124 116.417 11.360 -5.435 1.00 0.00 H new ATOM 0 HB THR A 124 117.167 13.682 -4.954 1.00 0.00 H new ATOM 0 HG1 THR A 124 115.590 13.524 -2.567 1.00 0.00 H new ATOM 0 HG21 THR A 124 114.914 14.691 -4.932 1.00 0.00 H new ATOM 0 HG22 THR A 124 114.993 13.278 -6.011 1.00 0.00 H new ATOM 0 HG23 THR A 124 114.228 13.133 -4.411 1.00 0.00 H new ATOM 1944 N ALA A 125 118.971 11.638 -4.829 1.00 0.00 N ATOM 1945 CA ALA A 125 120.360 11.263 -4.573 1.00 0.00 C ATOM 1946 C ALA A 125 120.923 11.976 -3.348 1.00 0.00 C ATOM 1947 O ALA A 125 121.716 11.401 -2.603 1.00 0.00 O ATOM 1948 CB ALA A 125 121.215 11.548 -5.797 1.00 0.00 C ATOM 0 H ALA A 125 118.826 12.137 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 125 120.382 10.193 -4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 125 122.248 11.264 -5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 125 120.841 10.973 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 125 121.170 12.611 -6.032 1.00 0.00 H new ATOM 1954 N GLU A 126 120.510 13.220 -3.139 1.00 0.00 N ATOM 1955 CA GLU A 126 120.954 13.987 -1.980 1.00 0.00 C ATOM 1956 C GLU A 126 120.487 13.327 -0.685 1.00 0.00 C ATOM 1957 O GLU A 126 121.261 13.190 0.264 1.00 0.00 O ATOM 1958 CB GLU A 126 120.463 15.442 -2.050 1.00 0.00 C ATOM 1959 CG GLU A 126 119.011 15.598 -2.474 1.00 0.00 C ATOM 1960 CD GLU A 126 118.855 15.820 -3.967 1.00 0.00 C ATOM 1961 OE1 GLU A 126 119.337 14.981 -4.759 1.00 0.00 O ATOM 1962 OE2 GLU A 126 118.269 16.846 -4.359 1.00 0.00 O ATOM 0 H GLU A 126 119.869 13.719 -3.756 1.00 0.00 H new ATOM 0 HA GLU A 126 122.044 14.000 -1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 126 120.594 15.904 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 126 121.093 15.992 -2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 126 118.455 14.707 -2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 126 118.569 16.438 -1.938 1.00 0.00 H new ATOM 1969 N GLU A 127 119.230 12.903 -0.664 1.00 0.00 N ATOM 1970 CA GLU A 127 118.673 12.210 0.490 1.00 0.00 C ATOM 1971 C GLU A 127 119.321 10.838 0.635 1.00 0.00 C ATOM 1972 O GLU A 127 119.763 10.457 1.722 1.00 0.00 O ATOM 1973 CB GLU A 127 117.158 12.060 0.333 1.00 0.00 C ATOM 1974 CG GLU A 127 116.436 13.382 0.136 1.00 0.00 C ATOM 1975 CD GLU A 127 114.982 13.204 -0.250 1.00 0.00 C ATOM 1976 OE1 GLU A 127 114.716 12.662 -1.349 1.00 0.00 O ATOM 1977 OE2 GLU A 127 114.100 13.630 0.524 1.00 0.00 O ATOM 0 H GLU A 127 118.575 13.028 -1.436 1.00 0.00 H new ATOM 0 HA GLU A 127 118.877 12.796 1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 127 116.951 11.412 -0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 127 116.756 11.564 1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 127 116.495 13.964 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 127 116.945 13.957 -0.638 1.00 0.00 H new ATOM 1984 N TRP A 128 119.373 10.113 -0.480 1.00 0.00 N ATOM 1985 CA TRP A 128 119.994 8.795 -0.545 1.00 0.00 C ATOM 1986 C TRP A 128 121.388 8.796 0.076 1.00 0.00 C ATOM 1987 O TRP A 128 121.650 8.070 1.039 1.00 0.00 O ATOM 1988 CB TRP A 128 120.080 8.335 -2.006 1.00 0.00 C ATOM 1989 CG TRP A 128 120.785 7.025 -2.181 1.00 0.00 C ATOM 1990 CD1 TRP A 128 122.108 6.834 -2.461 1.00 0.00 C ATOM 1991 CD2 TRP A 128 120.202 5.725 -2.088 1.00 0.00 C ATOM 1992 NE1 TRP A 128 122.383 5.491 -2.537 1.00 0.00 N ATOM 1993 CE2 TRP A 128 121.228 4.790 -2.312 1.00 0.00 C ATOM 1994 CE3 TRP A 128 118.911 5.263 -1.832 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 120.999 3.419 -2.285 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 118.684 3.904 -1.808 1.00 0.00 C ATOM 1997 CH2 TRP A 128 119.723 2.995 -2.032 1.00 0.00 C ATOM 0 H TRP A 128 118.983 10.427 -1.369 1.00 0.00 H new ATOM 0 HA TRP A 128 119.373 8.105 0.027 1.00 0.00 H new ATOM 0 HB2 TRP A 128 119.072 8.253 -2.412 1.00 0.00 H new ATOM 0 HB3 TRP A 128 120.597 9.097 -2.588 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.832 7.623 -2.602 1.00 0.00 H new ATOM 0 HE1 TRP A 128 123.298 5.082 -2.729 1.00 0.00 H new ATOM 0 HE3 TRP A 128 118.104 5.958 -1.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 121.799 2.714 -2.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 117.688 3.535 -1.613 1.00 0.00 H new ATOM 0 HH2 TRP A 128 119.514 1.936 -2.005 1.00 0.00 H new ATOM 2008 N LYS A 129 122.273 9.621 -0.473 1.00 0.00 N ATOM 2009 CA LYS A 129 123.664 9.647 -0.041 1.00 0.00 C ATOM 2010 C LYS A 129 123.786 10.082 1.414 1.00 0.00 C ATOM 2011 O LYS A 129 124.644 9.586 2.146 1.00 0.00 O ATOM 2012 CB LYS A 129 124.493 10.574 -0.932 1.00 0.00 C ATOM 2013 CG LYS A 129 124.588 10.115 -2.378 1.00 0.00 C ATOM 2014 CD LYS A 129 125.647 10.901 -3.131 1.00 0.00 C ATOM 2015 CE LYS A 129 125.866 10.353 -4.532 1.00 0.00 C ATOM 2016 NZ LYS A 129 124.671 10.518 -5.398 1.00 0.00 N ATOM 0 H LYS A 129 122.051 10.281 -1.219 1.00 0.00 H new ATOM 0 HA LYS A 129 124.051 8.632 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 129 124.057 11.573 -0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 129 125.499 10.654 -0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 129 124.827 9.052 -2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 129 123.622 10.239 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 129 125.348 11.947 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 129 126.585 10.870 -2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 129 126.715 10.861 -4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 129 126.123 9.296 -4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 124.907 10.239 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 123.900 9.918 -5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 124.369 11.513 -5.386 1.00 0.00 H new ATOM 2030 N LEU A 130 122.920 10.995 1.832 1.00 0.00 N ATOM 2031 CA LEU A 130 122.957 11.509 3.192 1.00 0.00 C ATOM 2032 C LEU A 130 122.643 10.405 4.199 1.00 0.00 C ATOM 2033 O LEU A 130 123.366 10.230 5.177 1.00 0.00 O ATOM 2034 CB LEU A 130 121.976 12.673 3.353 1.00 0.00 C ATOM 2035 CG LEU A 130 122.000 13.366 4.719 1.00 0.00 C ATOM 2036 CD1 LEU A 130 123.389 13.905 5.028 1.00 0.00 C ATOM 2037 CD2 LEU A 130 120.978 14.490 4.757 1.00 0.00 C ATOM 0 H LEU A 130 122.184 11.394 1.249 1.00 0.00 H new ATOM 0 HA LEU A 130 123.965 11.874 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 130 122.189 13.415 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 130 120.967 12.304 3.169 1.00 0.00 H new ATOM 0 HG LEU A 130 121.742 12.630 5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 130 123.381 14.393 6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 130 124.104 13.083 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 130 123.678 14.626 4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 130 121.006 14.974 5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 130 121.212 15.221 3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.982 14.082 4.582 1.00 0.00 H new ATOM 2049 N VAL A 131 121.581 9.651 3.942 1.00 0.00 N ATOM 2050 CA VAL A 131 121.170 8.575 4.841 1.00 0.00 C ATOM 2051 C VAL A 131 122.195 7.445 4.845 1.00 0.00 C ATOM 2052 O VAL A 131 122.508 6.896 5.897 1.00 0.00 O ATOM 2053 CB VAL A 131 119.785 8.001 4.452 1.00 0.00 C ATOM 2054 CG1 VAL A 131 119.372 6.885 5.400 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.732 9.096 4.433 1.00 0.00 C ATOM 0 H VAL A 131 120.988 9.763 3.120 1.00 0.00 H new ATOM 0 HA VAL A 131 121.102 9.008 5.839 1.00 0.00 H new ATOM 0 HB VAL A 131 119.867 7.584 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.396 6.499 5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 131 120.107 6.082 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.316 7.273 6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.768 8.669 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.659 9.548 5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 131 119.013 9.858 3.706 1.00 0.00 H new ATOM 2065 N CYS A 132 122.720 7.105 3.671 1.00 0.00 N ATOM 2066 CA CYS A 132 123.738 6.062 3.568 1.00 0.00 C ATOM 2067 C CYS A 132 124.967 6.437 4.391 1.00 0.00 C ATOM 2068 O CYS A 132 125.463 5.644 5.191 1.00 0.00 O ATOM 2069 CB CYS A 132 124.132 5.838 2.108 1.00 0.00 C ATOM 2070 SG CYS A 132 122.775 5.276 1.055 1.00 0.00 S ATOM 0 H CYS A 132 122.460 7.533 2.782 1.00 0.00 H new ATOM 0 HA CYS A 132 123.320 5.135 3.961 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.530 6.769 1.703 1.00 0.00 H new ATOM 0 HB3 CYS A 132 124.936 5.103 2.069 1.00 0.00 H new ATOM 0 HG CYS A 132 121.986 6.275 0.794 1.00 0.00 H new ATOM 2076 N LYS A 133 125.434 7.663 4.200 1.00 0.00 N ATOM 2077 CA LYS A 133 126.578 8.187 4.936 1.00 0.00 C ATOM 2078 C LYS A 133 126.269 8.248 6.429 1.00 0.00 C ATOM 2079 O LYS A 133 127.140 8.010 7.266 1.00 0.00 O ATOM 2080 CB LYS A 133 126.925 9.572 4.395 1.00 0.00 C ATOM 2081 CG LYS A 133 128.125 10.225 5.057 1.00 0.00 C ATOM 2082 CD LYS A 133 128.482 11.542 4.382 1.00 0.00 C ATOM 2083 CE LYS A 133 127.374 12.573 4.523 1.00 0.00 C ATOM 2084 NZ LYS A 133 127.732 13.858 3.866 1.00 0.00 N ATOM 0 H LYS A 133 125.032 8.321 3.533 1.00 0.00 H new ATOM 0 HA LYS A 133 127.434 7.525 4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 133 127.115 9.493 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 133 126.060 10.223 4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 133 127.910 10.401 6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 133 128.979 9.549 5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 133 129.401 11.935 4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 133 128.681 11.365 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 133 126.456 12.183 4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 133 127.172 12.748 5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 126.953 14.537 3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 128.594 14.243 4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 127.900 13.695 2.853 1.00 0.00 H new ATOM 2098 N MET A 134 125.015 8.541 6.746 1.00 0.00 N ATOM 2099 CA MET A 134 124.560 8.629 8.127 1.00 0.00 C ATOM 2100 C MET A 134 124.420 7.235 8.740 1.00 0.00 C ATOM 2101 O MET A 134 124.445 7.073 9.958 1.00 0.00 O ATOM 2102 CB MET A 134 123.217 9.364 8.179 1.00 0.00 C ATOM 2103 CG MET A 134 122.808 9.796 9.574 1.00 0.00 C ATOM 2104 SD MET A 134 121.247 10.699 9.603 1.00 0.00 S ATOM 2105 CE MET A 134 120.132 9.461 8.948 1.00 0.00 C ATOM 0 H MET A 134 124.287 8.724 6.056 1.00 0.00 H new ATOM 0 HA MET A 134 125.299 9.184 8.705 1.00 0.00 H new ATOM 0 HB2 MET A 134 123.270 10.244 7.538 1.00 0.00 H new ATOM 0 HB3 MET A 134 122.443 8.716 7.768 1.00 0.00 H new ATOM 0 HG2 MET A 134 122.724 8.915 10.211 1.00 0.00 H new ATOM 0 HG3 MET A 134 123.592 10.423 9.999 1.00 0.00 H new ATOM 0 HE1 MET A 134 119.141 9.598 9.381 1.00 0.00 H new ATOM 0 HE2 MET A 134 120.072 9.562 7.864 1.00 0.00 H new ATOM 0 HE3 MET A 134 120.503 8.467 9.199 1.00 0.00 H new ATOM 2115 N GLY A 135 124.293 6.232 7.881 1.00 0.00 N ATOM 2116 CA GLY A 135 124.105 4.868 8.338 1.00 0.00 C ATOM 2117 C GLY A 135 125.412 4.132 8.558 1.00 0.00 C ATOM 2118 O GLY A 135 125.462 2.904 8.482 1.00 0.00 O ATOM 0 H GLY A 135 124.317 6.340 6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 135 123.538 4.877 9.269 1.00 0.00 H new ATOM 0 HA3 GLY A 135 123.507 4.325 7.606 1.00 0.00 H new ATOM 2122 N GLY A 136 126.475 4.880 8.823 1.00 0.00 N ATOM 2123 CA GLY A 136 127.752 4.271 9.135 1.00 0.00 C ATOM 2124 C GLY A 136 128.628 4.051 7.917 1.00 0.00 C ATOM 2125 O GLY A 136 129.655 3.381 8.005 1.00 0.00 O ATOM 0 H GLY A 136 126.475 5.900 8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 136 128.284 4.903 9.846 1.00 0.00 H new ATOM 0 HA3 GLY A 136 127.579 3.314 9.627 1.00 0.00 H new ATOM 2129 N LEU A 137 128.237 4.618 6.782 1.00 0.00 N ATOM 2130 CA LEU A 137 129.020 4.478 5.557 1.00 0.00 C ATOM 2131 C LEU A 137 129.970 5.656 5.389 1.00 0.00 C ATOM 2132 O LEU A 137 130.682 5.760 4.387 1.00 0.00 O ATOM 2133 CB LEU A 137 128.109 4.364 4.329 1.00 0.00 C ATOM 2134 CG LEU A 137 127.546 2.967 4.036 1.00 0.00 C ATOM 2135 CD1 LEU A 137 126.744 2.428 5.211 1.00 0.00 C ATOM 2136 CD2 LEU A 137 126.685 3.006 2.785 1.00 0.00 C ATOM 0 H LEU A 137 127.389 5.176 6.683 1.00 0.00 H new ATOM 0 HA LEU A 137 129.604 3.561 5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 137 127.273 5.051 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 137 128.667 4.700 3.455 1.00 0.00 H new ATOM 0 HG LEU A 137 128.388 2.293 3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 137 126.361 1.437 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 137 127.385 2.363 6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 137 125.910 3.098 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 137 126.289 2.010 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 137 125.859 3.702 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 137 127.288 3.334 1.938 1.00 0.00 H new