USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 943 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 112 SER OG : rot 132:sc= 0.235 USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= -0.285 USER MOD Set 2.1: A 75 THR OG1 : rot 90:sc= 1.61 USER MOD Set 2.2: A 88 HIS : no HD1:sc= -0.243 X(o=1.4,f=1.5) USER MOD Set 3.1: A 31 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-0.31) USER MOD Set 3.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 8 SER OG : rot -118:sc= -0.156 USER MOD Set 4.2: A 10 CYS SG : rot 117:sc= 0.453 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0782 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 30:sc= 0.0496 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 141:sc= -2.82 (180deg=-8.69!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.39! K(o=-3.4!,f=-0.34) USER MOD Single : A 35 LYS NZ :NH3+ 167:sc=-0.00154 (180deg=-0.106) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 101:sc= 0.145 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0326 X(o=-0.033,f=-0.018) USER MOD Single : A 59 THR OG1 : rot -177:sc= 1.53 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 58:sc= 0.5 USER MOD Single : A 70 LYS NZ :NH3+ -133:sc= 0.709 (180deg=-0.0332) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 150:sc=-0.00272 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -172:sc= -0.161 (180deg=-0.36) USER MOD Single : A 90 HIS : no HD1:sc= -0.315 K(o=-0.31,f=-1.2) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.497 K(o=-0.5,f=-2.9!) USER MOD Single : A 100 SER OG : rot 120:sc= 0.0749 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -129:sc= 0.618 USER MOD Single : A 110 MET CE :methyl -167:sc= 0 (180deg=-0.382) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0.014 USER MOD Single : A 119 MET CE :methyl -173:sc= -2.44! (180deg=-2.86!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.17) USER MOD Single : A 126 LYS NZ :NH3+ -155:sc= -0.869 (180deg=-3.04!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 74.13 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 34.14 C ATOM 3 C GLY A 1 1.935 -1.305 -2.004 1.00 1.51 C ATOM 4 O GLY A 1 1.315 -2.259 -1.532 1.00 72.31 O ATOM 0 H1 GLY A 1 0.589 0.729 -0.036 1.00 74.13 H new ATOM 0 H2 GLY A 1 0.892 -0.932 0.143 1.00 74.13 H new ATOM 0 H3 GLY A 1 1.977 0.202 0.789 1.00 74.13 H new ATOM 0 HA2 GLY A 1 1.719 0.819 -1.875 1.00 34.14 H new ATOM 0 HA3 GLY A 1 3.124 0.189 -1.040 1.00 34.14 H new ATOM 8 N PRO A 2 2.523 -1.360 -3.208 1.00 21.03 N ATOM 9 CA PRO A 2 2.477 -2.554 -4.058 1.00 2.31 C ATOM 10 C PRO A 2 3.307 -3.701 -3.491 1.00 61.30 C ATOM 11 O PRO A 2 2.887 -4.858 -3.518 1.00 14.21 O ATOM 12 CB PRO A 2 3.070 -2.069 -5.383 1.00 23.42 C ATOM 13 CG PRO A 2 3.942 -0.920 -5.011 1.00 33.11 C ATOM 14 CD PRO A 2 3.279 -0.261 -3.833 1.00 34.03 C ATOM 0 HA PRO A 2 1.466 -2.952 -4.148 1.00 2.31 H new ATOM 0 HB2 PRO A 2 3.642 -2.857 -5.873 1.00 23.42 H new ATOM 0 HB3 PRO A 2 2.288 -1.763 -6.078 1.00 23.42 H new ATOM 0 HG2 PRO A 2 4.946 -1.259 -4.755 1.00 33.11 H new ATOM 0 HG3 PRO A 2 4.044 -0.222 -5.842 1.00 33.11 H new ATOM 0 HD2 PRO A 2 4.011 0.165 -3.146 1.00 34.03 H new ATOM 0 HD3 PRO A 2 2.623 0.552 -4.144 1.00 34.03 H new ATOM 22 N THR A 3 4.489 -3.373 -2.979 1.00 23.42 N ATOM 23 CA THR A 3 5.379 -4.376 -2.406 1.00 41.32 C ATOM 24 C THR A 3 5.855 -3.961 -1.019 1.00 20.13 C ATOM 25 O THR A 3 5.673 -2.816 -0.606 1.00 54.11 O ATOM 26 CB THR A 3 6.605 -4.618 -3.307 1.00 33.42 C ATOM 27 OG1 THR A 3 7.317 -3.392 -3.506 1.00 11.12 O ATOM 28 CG2 THR A 3 6.184 -5.191 -4.652 1.00 11.31 C ATOM 0 H THR A 3 4.853 -2.420 -2.949 1.00 23.42 H new ATOM 0 HA THR A 3 4.806 -5.300 -2.328 1.00 41.32 H new ATOM 0 HB THR A 3 7.256 -5.338 -2.811 1.00 33.42 H new ATOM 0 HG1 THR A 3 8.096 -3.555 -4.078 1.00 11.12 H new ATOM 0 HG21 THR A 3 7.067 -5.353 -5.271 1.00 11.31 H new ATOM 0 HG22 THR A 3 5.669 -6.139 -4.498 1.00 11.31 H new ATOM 0 HG23 THR A 3 5.514 -4.491 -5.152 1.00 11.31 H new ATOM 36 N GLY A 4 6.468 -4.899 -0.303 1.00 1.33 N ATOM 37 CA GLY A 4 6.962 -4.610 1.030 1.00 1.34 C ATOM 38 C GLY A 4 5.936 -4.907 2.106 1.00 45.41 C ATOM 39 O GLY A 4 5.339 -3.993 2.676 1.00 60.11 O ATOM 0 H GLY A 4 6.631 -5.854 -0.623 1.00 1.33 H new ATOM 0 HA2 GLY A 4 7.860 -5.198 1.217 1.00 1.34 H new ATOM 0 HA3 GLY A 4 7.251 -3.561 1.087 1.00 1.34 H new ATOM 43 N THR A 5 5.727 -6.191 2.384 1.00 12.54 N ATOM 44 CA THR A 5 4.764 -6.606 3.395 1.00 74.23 C ATOM 45 C THR A 5 5.259 -7.831 4.156 1.00 64.14 C ATOM 46 O THR A 5 5.620 -8.843 3.556 1.00 14.45 O ATOM 47 CB THR A 5 3.393 -6.925 2.769 1.00 71.41 C ATOM 48 OG1 THR A 5 3.562 -7.771 1.625 1.00 32.23 O ATOM 49 CG2 THR A 5 2.675 -5.648 2.360 1.00 53.45 C ATOM 0 H THR A 5 6.212 -6.960 1.923 1.00 12.54 H new ATOM 0 HA THR A 5 4.654 -5.771 4.087 1.00 74.23 H new ATOM 0 HB THR A 5 2.788 -7.440 3.515 1.00 71.41 H new ATOM 0 HG1 THR A 5 4.353 -8.337 1.750 1.00 32.23 H new ATOM 0 HG21 THR A 5 1.709 -5.898 1.921 1.00 53.45 H new ATOM 0 HG22 THR A 5 2.522 -5.019 3.237 1.00 53.45 H new ATOM 0 HG23 THR A 5 3.278 -5.110 1.629 1.00 53.45 H new ATOM 57 N GLY A 6 5.274 -7.732 5.482 1.00 24.13 N ATOM 58 CA GLY A 6 5.727 -8.840 6.303 1.00 71.40 C ATOM 59 C GLY A 6 7.081 -8.580 6.932 1.00 43.52 C ATOM 60 O GLY A 6 7.885 -7.818 6.396 1.00 52.21 O ATOM 0 H GLY A 6 4.981 -6.905 6.002 1.00 24.13 H new ATOM 0 HA2 GLY A 6 4.995 -9.029 7.088 1.00 71.40 H new ATOM 0 HA3 GLY A 6 5.780 -9.742 5.693 1.00 71.40 H new ATOM 64 N GLU A 7 7.334 -9.213 8.073 1.00 62.41 N ATOM 65 CA GLU A 7 8.600 -9.043 8.777 1.00 61.05 C ATOM 66 C GLU A 7 9.554 -10.192 8.465 1.00 62.33 C ATOM 67 O GLU A 7 9.178 -11.166 7.813 1.00 20.21 O ATOM 68 CB GLU A 7 8.363 -8.958 10.286 1.00 41.31 C ATOM 69 CG GLU A 7 7.695 -10.192 10.868 1.00 34.13 C ATOM 70 CD GLU A 7 6.182 -10.090 10.871 1.00 31.31 C ATOM 71 OE1 GLU A 7 5.640 -9.324 11.695 1.00 35.02 O1- ATOM 72 OE2 GLU A 7 5.540 -10.778 10.050 1.00 50.32 O ATOM 0 H GLU A 7 6.679 -9.848 8.530 1.00 62.41 H new ATOM 0 HA GLU A 7 9.054 -8.113 8.435 1.00 61.05 H new ATOM 0 HB2 GLU A 7 9.318 -8.802 10.787 1.00 41.31 H new ATOM 0 HB3 GLU A 7 7.745 -8.086 10.500 1.00 41.31 H new ATOM 0 HG2 GLU A 7 7.995 -11.068 10.293 1.00 34.13 H new ATOM 0 HG3 GLU A 7 8.047 -10.344 11.888 1.00 34.13 H new ATOM 79 N SER A 8 10.792 -10.070 8.934 1.00 11.13 N ATOM 80 CA SER A 8 11.802 -11.096 8.702 1.00 73.41 C ATOM 81 C SER A 8 13.092 -10.765 9.446 1.00 2.22 C ATOM 82 O SER A 8 13.223 -9.695 10.041 1.00 44.50 O ATOM 83 CB SER A 8 12.084 -11.234 7.205 1.00 62.10 C ATOM 84 OG SER A 8 12.624 -12.509 6.903 1.00 14.33 O ATOM 0 H SER A 8 11.120 -9.271 9.477 1.00 11.13 H new ATOM 0 HA SER A 8 11.417 -12.043 9.081 1.00 73.41 H new ATOM 0 HB2 SER A 8 11.162 -11.084 6.643 1.00 62.10 H new ATOM 0 HB3 SER A 8 12.780 -10.457 6.890 1.00 62.10 H new ATOM 0 HG SER A 8 13.525 -12.403 6.532 1.00 14.33 H new ATOM 90 N LYS A 9 14.044 -11.691 9.407 1.00 44.32 N ATOM 91 CA LYS A 9 15.326 -11.501 10.075 1.00 23.33 C ATOM 92 C LYS A 9 16.451 -11.341 9.058 1.00 33.34 C ATOM 93 O LYS A 9 17.209 -10.371 9.103 1.00 14.24 O ATOM 94 CB LYS A 9 15.623 -12.683 10.999 1.00 44.14 C ATOM 95 CG LYS A 9 17.032 -12.672 11.567 1.00 44.04 C ATOM 96 CD LYS A 9 17.293 -13.891 12.436 1.00 2.52 C ATOM 97 CE LYS A 9 16.496 -13.835 13.730 1.00 53.35 C ATOM 98 NZ LYS A 9 16.804 -14.987 14.622 1.00 32.34 N1+ ATOM 0 H LYS A 9 13.952 -12.582 8.919 1.00 44.32 H new ATOM 0 HA LYS A 9 15.266 -10.590 10.670 1.00 23.33 H new ATOM 0 HB2 LYS A 9 14.908 -12.678 11.822 1.00 44.14 H new ATOM 0 HB3 LYS A 9 15.469 -13.611 10.449 1.00 44.14 H new ATOM 0 HG2 LYS A 9 17.754 -12.645 10.751 1.00 44.04 H new ATOM 0 HG3 LYS A 9 17.181 -11.766 12.155 1.00 44.04 H new ATOM 0 HD2 LYS A 9 17.031 -14.794 11.885 1.00 2.52 H new ATOM 0 HD3 LYS A 9 18.357 -13.955 12.665 1.00 2.52 H new ATOM 0 HE2 LYS A 9 16.715 -12.903 14.251 1.00 53.35 H new ATOM 0 HE3 LYS A 9 15.431 -13.828 13.500 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 16.241 -14.912 15.493 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 16.571 -15.876 14.134 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 17.816 -14.979 14.862 1.00 32.34 H new ATOM 112 N CYS A 10 16.554 -12.298 8.141 1.00 72.52 N ATOM 113 CA CYS A 10 17.587 -12.263 7.112 1.00 50.34 C ATOM 114 C CYS A 10 17.589 -10.919 6.390 1.00 44.02 C ATOM 115 O CYS A 10 16.586 -10.207 6.348 1.00 44.02 O ATOM 116 CB CYS A 10 17.373 -13.395 6.107 1.00 33.40 C ATOM 117 SG CYS A 10 15.685 -13.505 5.467 1.00 22.45 S ATOM 0 H CYS A 10 15.935 -13.107 8.090 1.00 72.52 H new ATOM 0 HA CYS A 10 18.554 -12.396 7.597 1.00 50.34 H new ATOM 0 HB2 CYS A 10 18.059 -13.259 5.271 1.00 33.40 H new ATOM 0 HB3 CYS A 10 17.633 -14.341 6.581 1.00 33.40 H new ATOM 0 HG CYS A 10 15.693 -13.296 4.184 1.00 22.45 H new ATOM 123 N PRO A 11 18.744 -10.562 5.809 1.00 41.21 N ATOM 124 CA PRO A 11 18.906 -9.301 5.079 1.00 32.44 C ATOM 125 C PRO A 11 18.128 -9.286 3.767 1.00 33.11 C ATOM 126 O PRO A 11 17.906 -8.228 3.177 1.00 40.40 O ATOM 127 CB PRO A 11 20.412 -9.238 4.809 1.00 52.53 C ATOM 128 CG PRO A 11 20.858 -10.660 4.819 1.00 50.33 C ATOM 129 CD PRO A 11 19.981 -11.361 5.819 1.00 12.12 C ATOM 0 HA PRO A 11 18.525 -8.451 5.645 1.00 32.44 H new ATOM 0 HB2 PRO A 11 20.623 -8.764 3.851 1.00 52.53 H new ATOM 0 HB3 PRO A 11 20.927 -8.656 5.573 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.758 -11.108 3.830 1.00 50.33 H new ATOM 0 HG3 PRO A 11 21.909 -10.738 5.099 1.00 50.33 H new ATOM 0 HD2 PRO A 11 19.793 -12.396 5.533 1.00 12.12 H new ATOM 0 HD3 PRO A 11 20.438 -11.382 6.809 1.00 12.12 H new ATOM 137 N LEU A 12 17.717 -10.466 3.316 1.00 24.44 N ATOM 138 CA LEU A 12 16.963 -10.589 2.073 1.00 13.33 C ATOM 139 C LEU A 12 15.873 -11.649 2.201 1.00 62.23 C ATOM 140 O LEU A 12 16.162 -12.834 2.361 1.00 61.54 O ATOM 141 CB LEU A 12 17.900 -10.942 0.917 1.00 1.41 C ATOM 142 CG LEU A 12 17.329 -10.761 -0.489 1.00 23.13 C ATOM 143 CD1 LEU A 12 17.531 -9.332 -0.968 1.00 43.24 C ATOM 144 CD2 LEU A 12 17.971 -11.746 -1.456 1.00 3.34 C ATOM 0 H LEU A 12 17.893 -11.351 3.792 1.00 24.44 H new ATOM 0 HA LEU A 12 16.489 -9.629 1.868 1.00 13.33 H new ATOM 0 HB2 LEU A 12 18.798 -10.331 1.004 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.209 -11.981 1.031 1.00 1.41 H new ATOM 0 HG LEU A 12 16.258 -10.962 -0.454 1.00 23.13 H new ATOM 0 HD11 LEU A 12 17.118 -9.223 -1.971 1.00 43.24 H new ATOM 0 HD12 LEU A 12 17.024 -8.646 -0.290 1.00 43.24 H new ATOM 0 HD13 LEU A 12 18.596 -9.102 -0.987 1.00 43.24 H new ATOM 0 HD21 LEU A 12 17.553 -11.603 -2.452 1.00 3.34 H new ATOM 0 HD22 LEU A 12 19.047 -11.577 -1.487 1.00 3.34 H new ATOM 0 HD23 LEU A 12 17.773 -12.765 -1.122 1.00 3.34 H new ATOM 156 N MET A 13 14.620 -11.213 2.125 1.00 42.14 N ATOM 157 CA MET A 13 13.486 -12.125 2.228 1.00 33.41 C ATOM 158 C MET A 13 12.972 -12.512 0.845 1.00 40.04 C ATOM 159 O MET A 13 12.754 -11.654 -0.009 1.00 53.03 O ATOM 160 CB MET A 13 12.361 -11.484 3.042 1.00 72.22 C ATOM 161 CG MET A 13 11.430 -12.495 3.694 1.00 31.44 C ATOM 162 SD MET A 13 9.825 -11.790 4.115 1.00 1.33 S ATOM 163 CE MET A 13 8.727 -12.895 3.231 1.00 15.23 C ATOM 0 H MET A 13 14.364 -10.235 1.993 1.00 42.14 H new ATOM 0 HA MET A 13 13.823 -13.028 2.736 1.00 33.41 H new ATOM 0 HB2 MET A 13 12.798 -10.853 3.816 1.00 72.22 H new ATOM 0 HB3 MET A 13 11.778 -10.833 2.391 1.00 72.22 H new ATOM 0 HG2 MET A 13 11.286 -13.339 3.019 1.00 31.44 H new ATOM 0 HG3 MET A 13 11.899 -12.886 4.597 1.00 31.44 H new ATOM 0 HE1 MET A 13 7.842 -13.090 3.837 1.00 15.23 H new ATOM 0 HE2 MET A 13 8.428 -12.434 2.290 1.00 15.23 H new ATOM 0 HE3 MET A 13 9.242 -13.834 3.028 1.00 15.23 H new ATOM 173 N VAL A 14 12.782 -13.810 0.632 1.00 0.34 N ATOM 174 CA VAL A 14 12.293 -14.311 -0.647 1.00 54.11 C ATOM 175 C VAL A 14 10.901 -14.917 -0.505 1.00 75.31 C ATOM 176 O VAL A 14 10.714 -15.911 0.197 1.00 44.51 O ATOM 177 CB VAL A 14 13.244 -15.370 -1.237 1.00 71.42 C ATOM 178 CG1 VAL A 14 12.780 -15.792 -2.622 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.669 -14.839 -1.281 1.00 54.20 C ATOM 0 H VAL A 14 12.959 -14.534 1.329 1.00 0.34 H new ATOM 0 HA VAL A 14 12.247 -13.458 -1.323 1.00 54.11 H new ATOM 0 HB VAL A 14 13.227 -16.249 -0.592 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.464 -16.540 -3.023 1.00 65.25 H new ATOM 0 HG12 VAL A 14 11.777 -16.215 -2.557 1.00 65.25 H new ATOM 0 HG13 VAL A 14 12.766 -14.924 -3.281 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.328 -15.599 -1.700 1.00 54.20 H new ATOM 0 HG22 VAL A 14 14.705 -13.945 -1.903 1.00 54.20 H new ATOM 0 HG23 VAL A 14 14.997 -14.592 -0.271 1.00 54.20 H new ATOM 189 N LYS A 15 9.927 -14.312 -1.176 1.00 45.14 N ATOM 190 CA LYS A 15 8.551 -14.792 -1.126 1.00 34.42 C ATOM 191 C LYS A 15 8.171 -15.491 -2.428 1.00 3.44 C ATOM 192 O LYS A 15 8.177 -14.879 -3.497 1.00 33.44 O ATOM 193 CB LYS A 15 7.592 -13.629 -0.861 1.00 23.14 C ATOM 194 CG LYS A 15 6.204 -14.071 -0.432 1.00 20.51 C ATOM 195 CD LYS A 15 6.082 -14.134 1.082 1.00 21.44 C ATOM 196 CE LYS A 15 5.721 -12.778 1.669 1.00 61.00 C ATOM 197 NZ LYS A 15 4.256 -12.516 1.601 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.065 -13.488 -1.761 1.00 45.14 H new ATOM 0 HA LYS A 15 8.473 -15.512 -0.311 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.016 -12.989 -0.087 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.509 -13.025 -1.764 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.462 -13.379 -0.829 1.00 20.51 H new ATOM 0 HG3 LYS A 15 5.986 -15.051 -0.857 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.321 -14.865 1.357 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.024 -14.478 1.510 1.00 21.44 H new ATOM 0 HE2 LYS A 15 6.050 -12.732 2.707 1.00 61.00 H new ATOM 0 HE3 LYS A 15 6.255 -11.995 1.130 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.051 -11.582 2.011 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 3.946 -12.534 0.609 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 3.747 -13.248 2.136 1.00 31.20 H new ATOM 211 N VAL A 16 7.840 -16.774 -2.331 1.00 43.13 N ATOM 212 CA VAL A 16 7.454 -17.555 -3.501 1.00 14.13 C ATOM 213 C VAL A 16 5.946 -17.772 -3.544 1.00 22.53 C ATOM 214 O VAL A 16 5.408 -18.615 -2.824 1.00 43.30 O ATOM 215 CB VAL A 16 8.160 -18.924 -3.520 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.721 -19.734 -4.729 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.671 -18.744 -3.508 1.00 0.34 C ATOM 0 H VAL A 16 7.831 -17.295 -1.454 1.00 43.13 H new ATOM 0 HA VAL A 16 7.761 -16.984 -4.378 1.00 14.13 H new ATOM 0 HB VAL A 16 7.875 -19.473 -2.622 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.230 -20.698 -4.726 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.643 -19.893 -4.689 1.00 24.42 H new ATOM 0 HG13 VAL A 16 7.974 -19.193 -5.641 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.154 -19.721 -3.522 1.00 0.34 H new ATOM 0 HG22 VAL A 16 9.977 -18.176 -4.387 1.00 0.34 H new ATOM 0 HG23 VAL A 16 9.966 -18.206 -2.607 1.00 0.34 H new ATOM 227 N LEU A 17 5.268 -17.008 -4.393 1.00 52.23 N ATOM 228 CA LEU A 17 3.820 -17.118 -4.531 1.00 52.32 C ATOM 229 C LEU A 17 3.444 -17.669 -5.903 1.00 63.31 C ATOM 230 O LEU A 17 4.220 -17.578 -6.854 1.00 71.44 O ATOM 231 CB LEU A 17 3.163 -15.752 -4.321 1.00 44.04 C ATOM 232 CG LEU A 17 2.377 -15.579 -3.020 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.166 -14.740 -2.027 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.021 -14.946 -3.297 1.00 53.44 C ATOM 0 H LEU A 17 5.697 -16.306 -4.996 1.00 52.23 H new ATOM 0 HA LEU A 17 3.459 -17.810 -3.770 1.00 52.32 H new ATOM 0 HB2 LEU A 17 3.940 -14.988 -4.357 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.490 -15.562 -5.157 1.00 44.04 H new ATOM 0 HG LEU A 17 2.214 -16.564 -2.583 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.591 -14.628 -1.108 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.112 -15.233 -1.805 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.361 -13.757 -2.455 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.475 -14.830 -2.361 1.00 53.44 H new ATOM 0 HD22 LEU A 17 1.163 -13.968 -3.757 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.452 -15.585 -3.972 1.00 53.44 H new ATOM 246 N ASP A 18 2.248 -18.239 -5.998 1.00 52.03 N ATOM 247 CA ASP A 18 1.767 -18.802 -7.254 1.00 1.53 C ATOM 248 C ASP A 18 0.795 -17.848 -7.941 1.00 31.30 C ATOM 249 O ASP A 18 -0.122 -17.321 -7.312 1.00 2.31 O ATOM 250 CB ASP A 18 1.088 -20.150 -7.007 1.00 21.40 C ATOM 251 CG ASP A 18 1.110 -21.043 -8.231 1.00 31.11 C ATOM 252 OD1 ASP A 18 1.208 -20.507 -9.355 1.00 53.44 O ATOM 253 OD2 ASP A 18 1.031 -22.278 -8.066 1.00 31.41 O1- ATOM 0 H ASP A 18 1.594 -18.323 -5.220 1.00 52.03 H new ATOM 0 HA ASP A 18 2.626 -18.951 -7.909 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.586 -20.658 -6.181 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.055 -19.983 -6.702 1.00 21.40 H new ATOM 258 N ALA A 19 1.003 -17.629 -9.235 1.00 54.11 N ATOM 259 CA ALA A 19 0.146 -16.739 -10.008 1.00 4.04 C ATOM 260 C ALA A 19 -1.093 -17.471 -10.512 1.00 72.45 C ATOM 261 O ALA A 19 -2.112 -16.852 -10.817 1.00 54.10 O ATOM 262 CB ALA A 19 0.919 -16.141 -11.173 1.00 64.31 C ATOM 0 H ALA A 19 1.759 -18.056 -9.771 1.00 54.11 H new ATOM 0 HA ALA A 19 -0.182 -15.932 -9.353 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.266 -15.479 -11.741 1.00 64.31 H new ATOM 0 HB2 ALA A 19 1.769 -15.574 -10.793 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.277 -16.941 -11.821 1.00 64.31 H new ATOM 268 N VAL A 20 -0.998 -18.794 -10.599 1.00 1.32 N ATOM 269 CA VAL A 20 -2.112 -19.612 -11.066 1.00 4.11 C ATOM 270 C VAL A 20 -3.049 -19.971 -9.919 1.00 34.21 C ATOM 271 O VAL A 20 -4.258 -20.106 -10.111 1.00 24.34 O ATOM 272 CB VAL A 20 -1.615 -20.908 -11.734 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.785 -21.825 -12.057 1.00 42.40 C ATOM 274 CG2 VAL A 20 -0.816 -20.588 -12.989 1.00 1.33 C ATOM 0 H VAL A 20 -0.161 -19.323 -10.352 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.655 -19.018 -11.801 1.00 4.11 H new ATOM 0 HB VAL A 20 -0.959 -21.428 -11.036 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.414 -22.735 -12.528 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.311 -22.081 -11.137 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.469 -21.317 -12.737 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.473 -21.515 -13.448 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.447 -20.046 -13.694 1.00 1.33 H new ATOM 0 HG23 VAL A 20 0.045 -19.973 -12.725 1.00 1.33 H new ATOM 284 N ARG A 21 -2.484 -20.125 -8.726 1.00 70.43 N ATOM 285 CA ARG A 21 -3.269 -20.469 -7.547 1.00 40.24 C ATOM 286 C ARG A 21 -3.525 -19.237 -6.685 1.00 25.13 C ATOM 287 O ARG A 21 -4.482 -19.194 -5.913 1.00 25.45 O ATOM 288 CB ARG A 21 -2.551 -21.540 -6.725 1.00 54.04 C ATOM 289 CG ARG A 21 -1.968 -22.664 -7.565 1.00 23.13 C ATOM 290 CD ARG A 21 -1.267 -23.701 -6.700 1.00 70.24 C ATOM 291 NE ARG A 21 -2.168 -24.289 -5.713 1.00 32.25 N ATOM 292 CZ ARG A 21 -3.154 -25.124 -6.022 1.00 13.33 C ATOM 293 NH1 ARG A 21 -3.363 -25.468 -7.285 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -3.931 -25.618 -5.067 1.00 42.11 N ATOM 0 H ARG A 21 -1.485 -20.017 -8.551 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.229 -20.861 -7.883 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.749 -21.071 -6.154 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.251 -21.962 -6.004 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.763 -23.143 -8.136 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.261 -22.252 -8.286 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.861 -24.488 -7.335 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.423 -23.237 -6.190 1.00 70.24 H new ATOM 0 HE ARG A 21 -2.033 -24.045 -4.732 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -2.766 -25.091 -8.022 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -4.121 -26.109 -7.520 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -3.772 -25.357 -4.094 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -4.688 -26.259 -5.306 1.00 42.11 H new ATOM 308 N GLY A 22 -2.661 -18.235 -6.822 1.00 14.01 N ATOM 309 CA GLY A 22 -2.810 -17.016 -6.050 1.00 71.33 C ATOM 310 C GLY A 22 -2.471 -17.212 -4.585 1.00 55.30 C ATOM 311 O GLY A 22 -2.920 -16.450 -3.729 1.00 35.44 O ATOM 0 H GLY A 22 -1.861 -18.247 -7.454 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -2.165 -16.243 -6.469 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.836 -16.657 -6.138 1.00 71.33 H new ATOM 315 N SER A 23 -1.676 -18.237 -4.296 1.00 52.31 N ATOM 316 CA SER A 23 -1.280 -18.535 -2.925 1.00 31.20 C ATOM 317 C SER A 23 0.201 -18.894 -2.852 1.00 73.43 C ATOM 318 O SER A 23 0.828 -19.254 -3.848 1.00 43.22 O ATOM 319 CB SER A 23 -2.123 -19.683 -2.366 1.00 51.44 C ATOM 320 OG SER A 23 -3.290 -19.195 -1.727 1.00 24.23 O ATOM 0 H SER A 23 -1.293 -18.875 -4.993 1.00 52.31 H new ATOM 0 HA SER A 23 -1.449 -17.642 -2.323 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.403 -20.360 -3.174 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.531 -20.261 -1.657 1.00 51.44 H new ATOM 0 HG SER A 23 -3.812 -19.948 -1.380 1.00 24.23 H new ATOM 326 N PRO A 24 0.774 -18.795 -1.644 1.00 13.40 N ATOM 327 CA PRO A 24 2.188 -19.105 -1.410 1.00 34.35 C ATOM 328 C PRO A 24 2.482 -20.596 -1.535 1.00 53.53 C ATOM 329 O PRO A 24 1.726 -21.431 -1.041 1.00 40.42 O ATOM 330 CB PRO A 24 2.422 -18.632 0.027 1.00 12.41 C ATOM 331 CG PRO A 24 1.080 -18.695 0.670 1.00 62.31 C ATOM 332 CD PRO A 24 0.087 -18.372 -0.412 1.00 53.31 C ATOM 0 HA PRO A 24 2.837 -18.625 -2.142 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.138 -19.272 0.543 1.00 12.41 H new ATOM 0 HB3 PRO A 24 2.825 -17.619 0.050 1.00 12.41 H new ATOM 0 HG2 PRO A 24 0.894 -19.684 1.088 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.007 -17.983 1.492 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.851 -18.909 -0.270 1.00 53.31 H new ATOM 0 HD3 PRO A 24 -0.155 -17.309 -0.431 1.00 53.31 H new ATOM 340 N ALA A 25 3.586 -20.922 -2.199 1.00 24.51 N ATOM 341 CA ALA A 25 3.982 -22.313 -2.386 1.00 10.44 C ATOM 342 C ALA A 25 4.684 -22.856 -1.147 1.00 33.45 C ATOM 343 O ALA A 25 5.365 -22.117 -0.434 1.00 43.13 O ATOM 344 CB ALA A 25 4.882 -22.446 -3.606 1.00 61.41 C ATOM 0 H ALA A 25 4.222 -20.242 -2.616 1.00 24.51 H new ATOM 0 HA ALA A 25 3.080 -22.903 -2.547 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.170 -23.489 -3.734 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.346 -22.106 -4.492 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.776 -21.837 -3.467 1.00 61.41 H new ATOM 350 N ILE A 26 4.514 -24.149 -0.894 1.00 22.35 N ATOM 351 CA ILE A 26 5.132 -24.790 0.259 1.00 34.21 C ATOM 352 C ILE A 26 6.266 -25.716 -0.168 1.00 14.43 C ATOM 353 O ILE A 26 6.182 -26.381 -1.199 1.00 25.11 O ATOM 354 CB ILE A 26 4.104 -25.597 1.073 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.132 -24.655 1.786 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.810 -26.497 2.077 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.098 -25.375 2.624 1.00 11.52 C ATOM 0 H ILE A 26 3.953 -24.774 -1.473 1.00 22.35 H new ATOM 0 HA ILE A 26 5.534 -23.993 0.885 1.00 34.21 H new ATOM 0 HB ILE A 26 3.535 -26.226 0.388 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.698 -23.977 2.425 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.623 -24.041 1.043 1.00 3.20 H new ATOM 0 HG21 ILE A 26 4.069 -27.061 2.644 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.465 -27.189 1.548 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.402 -25.887 2.759 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.443 -24.645 3.100 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.506 -26.032 1.987 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.599 -25.967 3.390 1.00 11.52 H new ATOM 369 N ASN A 27 7.325 -25.755 0.634 1.00 12.42 N ATOM 370 CA ASN A 27 8.476 -26.600 0.340 1.00 73.32 C ATOM 371 C ASN A 27 9.085 -26.239 -1.012 1.00 13.34 C ATOM 372 O ASN A 27 9.326 -27.109 -1.849 1.00 65.22 O ATOM 373 CB ASN A 27 8.067 -28.075 0.349 1.00 73.52 C ATOM 374 CG ASN A 27 7.949 -28.633 1.755 1.00 73.20 C ATOM 375 OD1 ASN A 27 8.279 -29.792 2.004 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.476 -27.807 2.681 1.00 31.42 N ATOM 0 H ASN A 27 7.410 -25.211 1.493 1.00 12.42 H new ATOM 0 HA ASN A 27 9.226 -26.432 1.113 1.00 73.32 H new ATOM 0 HB2 ASN A 27 7.113 -28.188 -0.165 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.801 -28.656 -0.209 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.374 -28.126 3.645 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.215 -26.854 2.429 1.00 31.42 H new ATOM 383 N VAL A 28 9.334 -24.949 -1.217 1.00 10.34 N ATOM 384 CA VAL A 28 9.917 -24.472 -2.465 1.00 3.15 C ATOM 385 C VAL A 28 11.439 -24.458 -2.391 1.00 50.12 C ATOM 386 O VAL A 28 12.036 -23.528 -1.849 1.00 52.30 O ATOM 387 CB VAL A 28 9.418 -23.057 -2.813 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.075 -22.557 -4.090 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.902 -23.044 -2.944 1.00 33.20 C ATOM 0 H VAL A 28 9.141 -24.216 -0.535 1.00 10.34 H new ATOM 0 HA VAL A 28 9.601 -25.163 -3.246 1.00 3.15 H new ATOM 0 HB VAL A 28 9.696 -22.384 -2.002 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.710 -21.556 -4.319 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.156 -22.527 -3.955 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.831 -23.229 -4.912 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.567 -22.036 -3.190 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.599 -23.730 -3.735 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.453 -23.356 -2.001 1.00 33.20 H new ATOM 399 N ALA A 29 12.062 -25.496 -2.939 1.00 21.11 N ATOM 400 CA ALA A 29 13.516 -25.603 -2.937 1.00 13.43 C ATOM 401 C ALA A 29 14.158 -24.360 -3.544 1.00 73.30 C ATOM 402 O ALA A 29 14.080 -24.135 -4.752 1.00 24.22 O ATOM 403 CB ALA A 29 13.955 -26.848 -3.692 1.00 1.22 C ATOM 0 H ALA A 29 11.582 -26.275 -3.390 1.00 21.11 H new ATOM 0 HA ALA A 29 13.848 -25.684 -1.902 1.00 13.43 H new ATOM 0 HB1 ALA A 29 15.043 -26.915 -3.682 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.533 -27.732 -3.213 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.604 -26.791 -4.722 1.00 1.22 H new ATOM 409 N VAL A 30 14.793 -23.554 -2.698 1.00 52.51 N ATOM 410 CA VAL A 30 15.449 -22.334 -3.152 1.00 62.05 C ATOM 411 C VAL A 30 16.930 -22.339 -2.790 1.00 64.44 C ATOM 412 O VAL A 30 17.316 -22.803 -1.717 1.00 3.33 O ATOM 413 CB VAL A 30 14.788 -21.082 -2.545 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.423 -19.818 -3.105 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.289 -21.094 -2.803 1.00 50.55 C ATOM 0 H VAL A 30 14.867 -23.724 -1.695 1.00 52.51 H new ATOM 0 HA VAL A 30 15.343 -22.302 -4.236 1.00 62.05 H new ATOM 0 HB VAL A 30 14.949 -21.094 -1.467 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.943 -18.944 -2.665 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.486 -19.808 -2.865 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.295 -19.795 -4.187 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.838 -20.203 -2.368 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.105 -21.106 -3.877 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.849 -21.982 -2.349 1.00 50.55 H new ATOM 425 N HIS A 31 17.756 -21.819 -3.692 1.00 4.33 N ATOM 426 CA HIS A 31 19.196 -21.762 -3.467 1.00 20.44 C ATOM 427 C HIS A 31 19.735 -20.362 -3.745 1.00 70.41 C ATOM 428 O HIS A 31 19.202 -19.636 -4.585 1.00 62.13 O ATOM 429 CB HIS A 31 19.913 -22.782 -4.353 1.00 42.03 C ATOM 430 CG HIS A 31 19.183 -24.084 -4.478 1.00 51.24 C ATOM 431 ND1 HIS A 31 19.020 -24.743 -5.678 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.573 -24.850 -3.544 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.340 -25.858 -5.477 1.00 63.14 C ATOM 434 NE2 HIS A 31 18.057 -25.946 -4.190 1.00 23.04 N ATOM 0 H HIS A 31 17.453 -21.431 -4.585 1.00 4.33 H new ATOM 0 HA HIS A 31 19.385 -22.004 -2.421 1.00 20.44 H new ATOM 0 HB2 HIS A 31 20.051 -22.355 -5.346 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.907 -22.970 -3.946 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.505 -24.639 -2.487 1.00 21.01 H new ATOM 0 HE1 HIS A 31 18.063 -26.575 -6.236 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.539 -26.705 -3.748 1.00 23.04 H new ATOM 442 N VAL A 32 20.794 -19.988 -3.035 1.00 33.14 N ATOM 443 CA VAL A 32 21.405 -18.675 -3.205 1.00 13.25 C ATOM 444 C VAL A 32 22.916 -18.790 -3.375 1.00 62.02 C ATOM 445 O VAL A 32 23.603 -19.372 -2.535 1.00 63.22 O ATOM 446 CB VAL A 32 21.102 -17.756 -2.007 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.518 -16.325 -2.314 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.627 -17.825 -1.643 1.00 30.45 C ATOM 0 H VAL A 32 21.247 -20.576 -2.336 1.00 33.14 H new ATOM 0 HA VAL A 32 20.973 -18.239 -4.106 1.00 13.25 H new ATOM 0 HB VAL A 32 21.680 -18.101 -1.150 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.296 -15.690 -1.456 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.587 -16.294 -2.522 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.968 -15.965 -3.184 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.431 -17.170 -0.795 1.00 30.45 H new ATOM 0 HG22 VAL A 32 19.027 -17.506 -2.495 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.365 -18.849 -1.378 1.00 30.45 H new ATOM 458 N PHE A 33 23.427 -18.231 -4.466 1.00 14.51 N ATOM 459 CA PHE A 33 24.857 -18.270 -4.747 1.00 10.33 C ATOM 460 C PHE A 33 25.429 -16.860 -4.861 1.00 51.44 C ATOM 461 O PHE A 33 24.688 -15.891 -5.029 1.00 61.13 O ATOM 462 CB PHE A 33 25.124 -19.046 -6.039 1.00 54.22 C ATOM 463 CG PHE A 33 24.714 -20.490 -5.966 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.377 -20.848 -6.027 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.666 -21.488 -5.836 1.00 63.43 C ATOM 466 CE1 PHE A 33 22.996 -22.175 -5.961 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.291 -22.817 -5.769 1.00 51.24 C ATOM 468 CZ PHE A 33 23.955 -23.160 -5.831 1.00 15.51 C ATOM 0 H PHE A 33 22.872 -17.745 -5.171 1.00 14.51 H new ATOM 0 HA PHE A 33 25.350 -18.777 -3.918 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.590 -18.566 -6.859 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.187 -18.990 -6.274 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.623 -20.081 -6.127 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.712 -21.225 -5.786 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.950 -22.441 -6.011 1.00 31.23 H new ATOM 0 HE2 PHE A 33 26.042 -23.586 -5.668 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.660 -24.198 -5.778 1.00 15.51 H new ATOM 478 N ARG A 34 26.750 -16.754 -4.769 1.00 32.15 N ATOM 479 CA ARG A 34 27.421 -15.463 -4.860 1.00 13.44 C ATOM 480 C ARG A 34 28.467 -15.470 -5.971 1.00 21.02 C ATOM 481 O ARG A 34 29.106 -16.490 -6.230 1.00 3.34 O ATOM 482 CB ARG A 34 28.082 -15.112 -3.525 1.00 72.25 C ATOM 483 CG ARG A 34 29.381 -15.860 -3.274 1.00 3.34 C ATOM 484 CD ARG A 34 29.807 -15.763 -1.818 1.00 53.42 C ATOM 485 NE ARG A 34 31.209 -16.128 -1.632 1.00 31.04 N ATOM 486 CZ ARG A 34 32.223 -15.308 -1.885 1.00 34.30 C ATOM 487 NH1 ARG A 34 31.991 -14.081 -2.331 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 33.471 -15.713 -1.691 1.00 2.43 N ATOM 0 H ARG A 34 27.377 -17.547 -4.631 1.00 32.15 H new ATOM 0 HA ARG A 34 26.671 -14.708 -5.096 1.00 13.44 H new ATOM 0 HB2 ARG A 34 28.278 -14.040 -3.497 1.00 72.25 H new ATOM 0 HB3 ARG A 34 27.385 -15.330 -2.716 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.258 -16.907 -3.549 1.00 3.34 H new ATOM 0 HG3 ARG A 34 30.166 -15.453 -3.912 1.00 3.34 H new ATOM 0 HD2 ARG A 34 29.647 -14.746 -1.461 1.00 53.42 H new ATOM 0 HD3 ARG A 34 29.179 -16.416 -1.212 1.00 53.42 H new ATOM 0 HE ARG A 34 31.421 -17.065 -1.289 1.00 31.04 H new ATOM 0 HH11 ARG A 34 31.033 -13.765 -2.480 1.00 44.53 H new ATOM 0 HH12 ARG A 34 32.771 -13.453 -2.525 1.00 44.53 H new ATOM 0 HH21 ARG A 34 33.654 -16.656 -1.347 1.00 2.43 H new ATOM 0 HH22 ARG A 34 34.248 -15.082 -1.886 1.00 2.43 H new ATOM 502 N LYS A 35 28.636 -14.326 -6.625 1.00 54.20 N ATOM 503 CA LYS A 35 29.604 -14.200 -7.708 1.00 73.31 C ATOM 504 C LYS A 35 31.030 -14.282 -7.175 1.00 71.34 C ATOM 505 O LYS A 35 31.454 -13.446 -6.377 1.00 63.22 O ATOM 506 CB LYS A 35 29.400 -12.876 -8.449 1.00 24.12 C ATOM 507 CG LYS A 35 30.553 -12.510 -9.367 1.00 14.42 C ATOM 508 CD LYS A 35 30.766 -13.562 -10.443 1.00 34.13 C ATOM 509 CE LYS A 35 29.633 -13.557 -11.458 1.00 42.22 C ATOM 510 NZ LYS A 35 29.668 -12.345 -12.323 1.00 53.31 N1+ ATOM 0 H LYS A 35 28.115 -13.472 -6.424 1.00 54.20 H new ATOM 0 HA LYS A 35 29.446 -15.026 -8.402 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.484 -12.935 -9.036 1.00 24.12 H new ATOM 0 HB3 LYS A 35 29.260 -12.078 -7.719 1.00 24.12 H new ATOM 0 HG2 LYS A 35 30.355 -11.545 -9.834 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.465 -12.399 -8.780 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.712 -13.378 -10.951 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.838 -14.547 -9.982 1.00 34.13 H new ATOM 0 HE2 LYS A 35 29.699 -14.449 -12.080 1.00 42.22 H new ATOM 0 HE3 LYS A 35 28.677 -13.603 -10.936 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 29.029 -12.478 -13.133 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 29.362 -11.517 -11.773 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.637 -12.193 -12.668 1.00 53.31 H new ATOM 524 N ALA A 36 31.767 -15.293 -7.623 1.00 33.44 N ATOM 525 CA ALA A 36 33.147 -15.482 -7.193 1.00 70.02 C ATOM 526 C ALA A 36 34.103 -14.637 -8.029 1.00 20.11 C ATOM 527 O ALA A 36 33.676 -13.871 -8.892 1.00 35.22 O ATOM 528 CB ALA A 36 33.530 -16.952 -7.276 1.00 3.22 C ATOM 0 H ALA A 36 31.431 -15.994 -8.284 1.00 33.44 H new ATOM 0 HA ALA A 36 33.226 -15.155 -6.156 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.563 -17.078 -6.952 1.00 3.22 H new ATOM 0 HB2 ALA A 36 32.874 -17.536 -6.631 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.428 -17.297 -8.305 1.00 3.22 H new ATOM 534 N ALA A 37 35.397 -14.781 -7.765 1.00 24.23 N ATOM 535 CA ALA A 37 36.413 -14.031 -8.494 1.00 41.33 C ATOM 536 C ALA A 37 36.703 -14.672 -9.847 1.00 62.24 C ATOM 537 O ALA A 37 37.395 -14.092 -10.684 1.00 15.13 O ATOM 538 CB ALA A 37 37.689 -13.933 -7.671 1.00 20.34 C ATOM 0 H ALA A 37 35.767 -15.410 -7.052 1.00 24.23 H new ATOM 0 HA ALA A 37 36.030 -13.026 -8.671 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.439 -13.371 -8.228 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.477 -13.424 -6.731 1.00 20.34 H new ATOM 0 HB3 ALA A 37 38.066 -14.934 -7.464 1.00 20.34 H new ATOM 544 N ASP A 38 36.170 -15.871 -10.055 1.00 62.14 N ATOM 545 CA ASP A 38 36.371 -16.591 -11.307 1.00 4.12 C ATOM 546 C ASP A 38 35.130 -16.503 -12.190 1.00 0.42 C ATOM 547 O ASP A 38 34.863 -17.396 -12.994 1.00 23.13 O ATOM 548 CB ASP A 38 36.712 -18.056 -11.029 1.00 0.10 C ATOM 549 CG ASP A 38 37.483 -18.696 -12.166 1.00 65.21 C ATOM 550 OD1 ASP A 38 38.694 -18.418 -12.292 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 36.876 -19.475 -12.931 1.00 5.41 O ATOM 0 H ASP A 38 35.595 -16.365 -9.372 1.00 62.14 H new ATOM 0 HA ASP A 38 37.204 -16.126 -11.835 1.00 4.12 H new ATOM 0 HB2 ASP A 38 37.299 -18.122 -10.113 1.00 0.10 H new ATOM 0 HB3 ASP A 38 35.792 -18.614 -10.858 1.00 0.10 H new ATOM 556 N ASP A 39 34.375 -15.421 -12.034 1.00 22.23 N ATOM 557 CA ASP A 39 33.162 -15.216 -12.816 1.00 13.11 C ATOM 558 C ASP A 39 32.196 -16.384 -12.639 1.00 31.25 C ATOM 559 O ASP A 39 31.386 -16.674 -13.520 1.00 44.13 O ATOM 560 CB ASP A 39 33.507 -15.044 -14.297 1.00 2.13 C ATOM 561 CG ASP A 39 34.232 -13.742 -14.575 1.00 55.52 C ATOM 562 OD1 ASP A 39 33.550 -12.718 -14.787 1.00 75.13 O1- ATOM 563 OD2 ASP A 39 35.481 -13.748 -14.581 1.00 22.43 O ATOM 0 H ASP A 39 34.582 -14.672 -11.373 1.00 22.23 H new ATOM 0 HA ASP A 39 32.677 -14.309 -12.456 1.00 13.11 H new ATOM 0 HB2 ASP A 39 34.128 -15.879 -14.622 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.591 -15.080 -14.887 1.00 2.13 H new ATOM 568 N THR A 40 32.288 -17.052 -11.493 1.00 30.11 N ATOM 569 CA THR A 40 31.426 -18.190 -11.200 1.00 25.33 C ATOM 570 C THR A 40 30.468 -17.873 -10.057 1.00 51.15 C ATOM 571 O THR A 40 30.440 -16.751 -9.551 1.00 63.30 O ATOM 572 CB THR A 40 32.249 -19.439 -10.835 1.00 62.55 C ATOM 573 OG1 THR A 40 32.965 -19.215 -9.615 1.00 73.04 O ATOM 574 CG2 THR A 40 33.226 -19.788 -11.947 1.00 33.22 C ATOM 0 H THR A 40 32.951 -16.824 -10.752 1.00 30.11 H new ATOM 0 HA THR A 40 30.853 -18.394 -12.104 1.00 25.33 H new ATOM 0 HB THR A 40 31.561 -20.274 -10.703 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.484 -20.015 -9.389 1.00 73.04 H new ATOM 0 HG21 THR A 40 33.796 -20.674 -11.666 1.00 33.22 H new ATOM 0 HG22 THR A 40 32.675 -19.988 -12.866 1.00 33.22 H new ATOM 0 HG23 THR A 40 33.908 -18.953 -12.107 1.00 33.22 H new ATOM 582 N TRP A 41 29.687 -18.869 -9.654 1.00 51.02 N ATOM 583 CA TRP A 41 28.728 -18.696 -8.569 1.00 63.44 C ATOM 584 C TRP A 41 28.970 -19.715 -7.461 1.00 42.43 C ATOM 585 O TRP A 41 28.797 -20.916 -7.663 1.00 72.23 O ATOM 586 CB TRP A 41 27.299 -18.829 -9.097 1.00 61.33 C ATOM 587 CG TRP A 41 26.971 -17.843 -10.178 1.00 74.13 C ATOM 588 CD1 TRP A 41 26.913 -18.088 -11.520 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.659 -16.456 -10.007 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.583 -16.936 -12.194 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.421 -15.922 -11.288 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.554 -15.615 -8.896 1.00 51.42 C ATOM 593 CZ2 TRP A 41 26.087 -14.585 -11.486 1.00 72.03 C ATOM 594 CZ3 TRP A 41 26.223 -14.288 -9.095 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.992 -13.783 -10.381 1.00 4.00 C ATOM 0 H TRP A 41 29.699 -19.804 -10.062 1.00 51.02 H new ATOM 0 HA TRP A 41 28.863 -17.697 -8.155 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.153 -19.839 -9.480 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.600 -18.697 -8.271 1.00 61.33 H new ATOM 0 HD1 TRP A 41 27.099 -19.046 -11.984 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.476 -16.851 -13.205 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.728 -15.995 -7.900 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.909 -14.194 -12.477 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 26.141 -13.629 -8.244 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.734 -12.741 -10.503 1.00 4.00 H new ATOM 606 N GLU A 42 29.370 -19.227 -6.291 1.00 14.31 N ATOM 607 CA GLU A 42 29.636 -20.098 -5.152 1.00 22.31 C ATOM 608 C GLU A 42 28.400 -20.228 -4.266 1.00 30.22 C ATOM 609 O GLU A 42 27.508 -19.380 -4.273 1.00 23.11 O ATOM 610 CB GLU A 42 30.810 -19.558 -4.332 1.00 42.11 C ATOM 611 CG GLU A 42 32.168 -20.002 -4.849 1.00 72.32 C ATOM 612 CD GLU A 42 33.213 -20.079 -3.752 1.00 0.20 C ATOM 613 OE1 GLU A 42 32.912 -19.662 -2.615 1.00 22.10 O1- ATOM 614 OE2 GLU A 42 34.332 -20.557 -4.033 1.00 22.45 O ATOM 0 H GLU A 42 29.517 -18.235 -6.107 1.00 14.31 H new ATOM 0 HA GLU A 42 29.893 -21.086 -5.535 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.770 -18.469 -4.329 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.700 -19.884 -3.298 1.00 42.11 H new ATOM 0 HG2 GLU A 42 32.071 -20.979 -5.322 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.505 -19.307 -5.618 1.00 72.32 H new ATOM 621 N PRO A 43 28.345 -21.316 -3.484 1.00 55.32 N ATOM 622 CA PRO A 43 27.224 -21.584 -2.578 1.00 0.45 C ATOM 623 C PRO A 43 27.187 -20.616 -1.401 1.00 61.23 C ATOM 624 O PRO A 43 28.130 -20.544 -0.613 1.00 55.41 O ATOM 625 CB PRO A 43 27.495 -23.010 -2.090 1.00 61.34 C ATOM 626 CG PRO A 43 28.969 -23.182 -2.225 1.00 40.42 C ATOM 627 CD PRO A 43 29.373 -22.369 -3.424 1.00 75.22 C ATOM 0 HA PRO A 43 26.261 -21.465 -3.074 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.174 -23.143 -1.057 1.00 61.34 H new ATOM 0 HB3 PRO A 43 26.954 -23.743 -2.689 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.486 -22.839 -1.329 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.229 -24.232 -2.360 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.372 -21.949 -3.307 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.385 -22.971 -4.332 1.00 75.22 H new ATOM 635 N PHE A 44 26.091 -19.874 -1.286 1.00 1.12 N ATOM 636 CA PHE A 44 25.931 -18.909 -0.204 1.00 62.35 C ATOM 637 C PHE A 44 24.931 -19.415 0.832 1.00 72.22 C ATOM 638 O PHE A 44 25.245 -19.513 2.017 1.00 41.04 O ATOM 639 CB PHE A 44 25.469 -17.560 -0.759 1.00 22.21 C ATOM 640 CG PHE A 44 25.280 -16.510 0.298 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.367 -15.820 0.810 1.00 54.50 C ATOM 642 CD2 PHE A 44 24.015 -16.212 0.779 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.197 -14.853 1.783 1.00 13.33 C ATOM 644 CE2 PHE A 44 23.839 -15.246 1.751 1.00 23.30 C ATOM 645 CZ PHE A 44 24.931 -14.566 2.255 1.00 2.44 C ATOM 0 H PHE A 44 25.300 -19.922 -1.929 1.00 1.12 H new ATOM 0 HA PHE A 44 26.898 -18.782 0.282 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.200 -17.205 -1.485 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.530 -17.699 -1.294 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.359 -16.040 0.444 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.157 -16.741 0.390 1.00 44.44 H new ATOM 0 HE1 PHE A 44 27.053 -14.323 2.174 1.00 13.33 H new ATOM 0 HE2 PHE A 44 22.848 -15.022 2.117 1.00 23.30 H new ATOM 0 HZ PHE A 44 24.795 -13.812 3.016 1.00 2.44 H new ATOM 655 N ALA A 45 23.724 -19.733 0.375 1.00 74.54 N ATOM 656 CA ALA A 45 22.678 -20.230 1.260 1.00 71.13 C ATOM 657 C ALA A 45 21.648 -21.048 0.488 1.00 63.11 C ATOM 658 O ALA A 45 21.719 -21.157 -0.736 1.00 0.42 O ATOM 659 CB ALA A 45 22.003 -19.072 1.981 1.00 14.12 C ATOM 0 H ALA A 45 23.447 -19.655 -0.603 1.00 74.54 H new ATOM 0 HA ALA A 45 23.142 -20.883 1.999 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.224 -19.457 2.639 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.742 -18.531 2.572 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.559 -18.397 1.249 1.00 14.12 H new ATOM 665 N SER A 46 20.693 -21.622 1.212 1.00 60.52 N ATOM 666 CA SER A 46 19.651 -22.434 0.596 1.00 52.32 C ATOM 667 C SER A 46 18.573 -22.798 1.612 1.00 40.50 C ATOM 668 O SER A 46 18.840 -22.899 2.809 1.00 65.02 O ATOM 669 CB SER A 46 20.253 -23.707 -0.003 1.00 70.12 C ATOM 670 OG SER A 46 19.309 -24.763 -0.012 1.00 13.53 O ATOM 0 H SER A 46 20.619 -21.540 2.226 1.00 60.52 H new ATOM 0 HA SER A 46 19.192 -21.848 -0.200 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.591 -23.509 -1.020 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.130 -24.004 0.573 1.00 70.12 H new ATOM 0 HG SER A 46 19.718 -25.564 -0.401 1.00 13.53 H new ATOM 676 N GLY A 47 17.351 -22.994 1.125 1.00 11.14 N ATOM 677 CA GLY A 47 16.250 -23.344 2.004 1.00 1.53 C ATOM 678 C GLY A 47 14.941 -23.504 1.257 1.00 63.12 C ATOM 679 O GLY A 47 14.888 -23.339 0.038 1.00 62.23 O ATOM 0 H GLY A 47 17.104 -22.917 0.138 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.485 -24.273 2.523 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.138 -22.573 2.766 1.00 1.53 H new ATOM 683 N LYS A 48 13.880 -23.829 1.988 1.00 51.41 N ATOM 684 CA LYS A 48 12.564 -24.013 1.388 1.00 3.33 C ATOM 685 C LYS A 48 11.544 -23.066 2.012 1.00 14.54 C ATOM 686 O LYS A 48 11.739 -22.571 3.123 1.00 53.10 O ATOM 687 CB LYS A 48 12.101 -25.462 1.558 1.00 54.50 C ATOM 688 CG LYS A 48 12.986 -26.471 0.847 1.00 35.21 C ATOM 689 CD LYS A 48 12.589 -27.898 1.186 1.00 13.00 C ATOM 690 CE LYS A 48 13.601 -28.900 0.652 1.00 55.05 C ATOM 691 NZ LYS A 48 13.183 -30.304 0.916 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.906 -23.970 2.998 1.00 51.41 H new ATOM 0 HA LYS A 48 12.642 -23.785 0.325 1.00 3.33 H new ATOM 0 HB2 LYS A 48 12.071 -25.703 2.621 1.00 54.50 H new ATOM 0 HB3 LYS A 48 11.082 -25.556 1.181 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.919 -26.320 -0.230 1.00 35.21 H new ATOM 0 HG3 LYS A 48 14.026 -26.305 1.128 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.504 -28.006 2.267 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.606 -28.113 0.766 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.725 -28.754 -0.421 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.571 -28.717 1.113 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.899 -30.956 0.537 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 13.089 -30.451 1.941 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.269 -30.487 0.455 1.00 60.34 H new ATOM 705 N THR A 49 10.454 -22.818 1.292 1.00 35.43 N ATOM 706 CA THR A 49 9.404 -21.931 1.776 1.00 51.31 C ATOM 707 C THR A 49 8.370 -22.697 2.592 1.00 3.20 C ATOM 708 O THR A 49 8.381 -23.927 2.628 1.00 55.41 O ATOM 709 CB THR A 49 8.695 -21.213 0.612 1.00 40.10 C ATOM 710 OG1 THR A 49 7.977 -22.163 -0.184 1.00 34.44 O ATOM 711 CG2 THR A 49 9.697 -20.471 -0.258 1.00 72.54 C ATOM 0 H THR A 49 10.276 -23.219 0.371 1.00 35.43 H new ATOM 0 HA THR A 49 9.886 -21.188 2.412 1.00 51.31 H new ATOM 0 HB THR A 49 7.997 -20.489 1.032 1.00 40.10 H new ATOM 0 HG1 THR A 49 7.027 -22.137 0.054 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.172 -19.972 -1.073 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.222 -19.729 0.344 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.416 -21.179 -0.669 1.00 72.54 H new ATOM 719 N SER A 50 7.476 -21.962 3.246 1.00 13.14 N ATOM 720 CA SER A 50 6.435 -22.573 4.065 1.00 23.01 C ATOM 721 C SER A 50 5.049 -22.165 3.575 1.00 61.40 C ATOM 722 O SER A 50 4.902 -21.616 2.484 1.00 4.13 O ATOM 723 CB SER A 50 6.610 -22.172 5.531 1.00 14.25 C ATOM 724 OG SER A 50 7.971 -22.238 5.919 1.00 22.21 O ATOM 0 H SER A 50 7.452 -20.943 3.225 1.00 13.14 H new ATOM 0 HA SER A 50 6.527 -23.656 3.979 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.234 -21.160 5.682 1.00 14.25 H new ATOM 0 HB3 SER A 50 6.016 -22.830 6.165 1.00 14.25 H new ATOM 0 HG SER A 50 8.056 -21.975 6.859 1.00 22.21 H new ATOM 730 N GLU A 51 4.036 -22.438 4.392 1.00 40.23 N ATOM 731 CA GLU A 51 2.661 -22.100 4.042 1.00 60.32 C ATOM 732 C GLU A 51 2.514 -20.600 3.804 1.00 42.55 C ATOM 733 O GLU A 51 1.554 -20.152 3.175 1.00 73.13 O ATOM 734 CB GLU A 51 1.705 -22.549 5.148 1.00 71.34 C ATOM 735 CG GLU A 51 2.186 -22.201 6.547 1.00 5.20 C ATOM 736 CD GLU A 51 1.126 -21.495 7.370 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.966 -20.268 7.205 1.00 51.42 O1- ATOM 738 OE2 GLU A 51 0.455 -22.171 8.178 1.00 12.23 O ATOM 0 H GLU A 51 4.141 -22.892 5.299 1.00 40.23 H new ATOM 0 HA GLU A 51 2.408 -22.623 3.120 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.731 -22.089 4.983 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.564 -23.628 5.079 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.491 -23.113 7.060 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.069 -21.565 6.476 1.00 5.20 H new ATOM 745 N SER A 52 3.470 -19.829 4.311 1.00 0.31 N ATOM 746 CA SER A 52 3.445 -18.379 4.158 1.00 24.21 C ATOM 747 C SER A 52 4.199 -17.952 2.902 1.00 24.50 C ATOM 748 O SER A 52 4.068 -16.820 2.441 1.00 12.24 O ATOM 749 CB SER A 52 4.056 -17.705 5.388 1.00 63.01 C ATOM 750 OG SER A 52 3.070 -17.451 6.373 1.00 15.33 O ATOM 0 H SER A 52 4.272 -20.184 4.832 1.00 0.31 H new ATOM 0 HA SER A 52 2.405 -18.066 4.060 1.00 24.21 H new ATOM 0 HB2 SER A 52 4.836 -18.342 5.806 1.00 63.01 H new ATOM 0 HB3 SER A 52 4.531 -16.769 5.095 1.00 63.01 H new ATOM 0 HG SER A 52 3.486 -17.022 7.149 1.00 15.33 H new ATOM 756 N GLY A 53 4.990 -18.870 2.354 1.00 45.14 N ATOM 757 CA GLY A 53 5.754 -18.570 1.157 1.00 60.22 C ATOM 758 C GLY A 53 7.027 -17.804 1.458 1.00 74.10 C ATOM 759 O GLY A 53 7.803 -17.498 0.553 1.00 12.51 O ATOM 0 H GLY A 53 5.115 -19.815 2.717 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.005 -19.500 0.648 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.137 -17.988 0.472 1.00 60.22 H new ATOM 763 N GLU A 54 7.241 -17.493 2.733 1.00 43.33 N ATOM 764 CA GLU A 54 8.428 -16.755 3.149 1.00 51.21 C ATOM 765 C GLU A 54 9.553 -17.710 3.539 1.00 32.34 C ATOM 766 O GLU A 54 9.313 -18.760 4.136 1.00 45.34 O ATOM 767 CB GLU A 54 8.097 -15.834 4.324 1.00 52.21 C ATOM 768 CG GLU A 54 7.709 -16.578 5.591 1.00 3.13 C ATOM 769 CD GLU A 54 7.127 -15.662 6.650 1.00 12.04 C ATOM 770 OE1 GLU A 54 7.521 -14.478 6.694 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 6.276 -16.131 7.436 1.00 3.21 O ATOM 0 H GLU A 54 6.609 -17.740 3.494 1.00 43.33 H new ATOM 0 HA GLU A 54 8.763 -16.151 2.306 1.00 51.21 H new ATOM 0 HB2 GLU A 54 8.960 -15.202 4.534 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.280 -15.172 4.037 1.00 52.21 H new ATOM 0 HG2 GLU A 54 6.981 -17.352 5.345 1.00 3.13 H new ATOM 0 HG3 GLU A 54 8.587 -17.083 5.995 1.00 3.13 H new ATOM 778 N LEU A 55 10.782 -17.339 3.196 1.00 2.41 N ATOM 779 CA LEU A 55 11.945 -18.161 3.509 1.00 22.44 C ATOM 780 C LEU A 55 13.055 -17.320 4.131 1.00 75.42 C ATOM 781 O LEU A 55 13.732 -16.557 3.441 1.00 42.00 O ATOM 782 CB LEU A 55 12.461 -18.852 2.245 1.00 1.43 C ATOM 783 CG LEU A 55 13.845 -19.494 2.348 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.914 -20.424 3.549 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.180 -20.246 1.069 1.00 12.22 C ATOM 0 H LEU A 55 10.998 -16.474 2.701 1.00 2.41 H new ATOM 0 HA LEU A 55 11.640 -18.918 4.231 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.745 -19.623 1.959 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.481 -18.120 1.438 1.00 1.43 H new ATOM 0 HG LEU A 55 14.582 -18.703 2.484 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.906 -20.872 3.606 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.719 -19.858 4.460 1.00 65.40 H new ATOM 0 HD13 LEU A 55 13.167 -21.210 3.444 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.168 -20.696 1.160 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.439 -21.028 0.902 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.173 -19.553 0.227 1.00 12.22 H new ATOM 797 N HIS A 56 13.238 -17.466 5.440 1.00 62.22 N ATOM 798 CA HIS A 56 14.268 -16.722 6.156 1.00 52.21 C ATOM 799 C HIS A 56 15.196 -17.669 6.911 1.00 65.14 C ATOM 800 O HIS A 56 14.954 -18.873 6.974 1.00 61.43 O ATOM 801 CB HIS A 56 13.629 -15.731 7.129 1.00 44.24 C ATOM 802 CG HIS A 56 12.503 -16.316 7.925 1.00 31.34 C ATOM 803 ND1 HIS A 56 12.669 -16.839 9.191 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.190 -16.457 7.631 1.00 65.14 C ATOM 805 CE1 HIS A 56 11.507 -17.278 9.639 1.00 13.10 C ATOM 806 NE2 HIS A 56 10.592 -17.058 8.711 1.00 75.35 N ATOM 0 H HIS A 56 12.686 -18.093 6.026 1.00 62.22 H new ATOM 0 HA HIS A 56 14.858 -16.170 5.424 1.00 52.21 H new ATOM 0 HB2 HIS A 56 14.393 -15.362 7.813 1.00 44.24 H new ATOM 0 HB3 HIS A 56 13.260 -14.872 6.569 1.00 44.24 H new ATOM 0 HD2 HIS A 56 10.703 -16.153 6.716 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.334 -17.739 10.600 1.00 13.10 H new ATOM 0 HE2 HIS A 56 9.603 -17.296 8.785 1.00 75.35 H new ATOM 814 N GLY A 57 16.261 -17.114 7.484 1.00 54.50 N ATOM 815 CA GLY A 57 17.209 -17.924 8.227 1.00 51.11 C ATOM 816 C GLY A 57 18.278 -18.527 7.337 1.00 44.14 C ATOM 817 O GLY A 57 18.940 -19.493 7.718 1.00 3.50 O ATOM 0 H GLY A 57 16.483 -16.119 7.447 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.682 -17.312 8.995 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.675 -18.723 8.741 1.00 51.11 H new ATOM 821 N LEU A 58 18.447 -17.958 6.149 1.00 1.11 N ATOM 822 CA LEU A 58 19.442 -18.447 5.201 1.00 53.45 C ATOM 823 C LEU A 58 20.855 -18.192 5.716 1.00 62.15 C ATOM 824 O LEU A 58 21.644 -19.123 5.886 1.00 35.35 O ATOM 825 CB LEU A 58 19.254 -17.773 3.841 1.00 64.24 C ATOM 826 CG LEU A 58 18.235 -18.424 2.905 1.00 4.24 C ATOM 827 CD1 LEU A 58 18.103 -17.623 1.619 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.631 -19.862 2.602 1.00 62.04 C ATOM 0 H LEU A 58 17.908 -17.157 5.819 1.00 1.11 H new ATOM 0 HA LEU A 58 19.304 -19.522 5.089 1.00 53.45 H new ATOM 0 HB2 LEU A 58 18.954 -16.739 4.009 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.219 -17.747 3.334 1.00 64.24 H new ATOM 0 HG LEU A 58 17.266 -18.433 3.404 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.374 -18.102 0.966 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.772 -16.611 1.853 1.00 55.53 H new ATOM 0 HD13 LEU A 58 19.069 -17.581 1.116 1.00 55.53 H new ATOM 0 HD21 LEU A 58 17.894 -20.309 1.935 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.610 -19.877 2.124 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.672 -20.431 3.531 1.00 62.04 H new ATOM 840 N THR A 59 21.170 -16.925 5.965 1.00 11.10 N ATOM 841 CA THR A 59 22.487 -16.547 6.461 1.00 32.02 C ATOM 842 C THR A 59 22.386 -15.431 7.495 1.00 65.34 C ATOM 843 O THR A 59 21.291 -14.984 7.837 1.00 12.31 O ATOM 844 CB THR A 59 23.409 -16.089 5.316 1.00 50.44 C ATOM 845 OG1 THR A 59 22.712 -15.176 4.461 1.00 55.13 O ATOM 846 CG2 THR A 59 23.897 -17.280 4.504 1.00 44.44 C ATOM 0 H THR A 59 20.530 -16.142 5.831 1.00 11.10 H new ATOM 0 HA THR A 59 22.915 -17.434 6.929 1.00 32.02 H new ATOM 0 HB THR A 59 24.273 -15.589 5.753 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.288 -14.929 3.708 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.547 -16.931 3.701 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.452 -17.959 5.151 1.00 44.44 H new ATOM 0 HG23 THR A 59 23.042 -17.804 4.077 1.00 44.44 H new ATOM 854 N THR A 60 23.536 -14.983 7.989 1.00 54.44 N ATOM 855 CA THR A 60 23.577 -13.919 8.984 1.00 13.13 C ATOM 856 C THR A 60 24.103 -12.622 8.381 1.00 21.15 C ATOM 857 O THR A 60 24.524 -12.591 7.225 1.00 14.52 O ATOM 858 CB THR A 60 24.458 -14.307 10.186 1.00 25.41 C ATOM 859 OG1 THR A 60 25.755 -14.711 9.733 1.00 64.13 O ATOM 860 CG2 THR A 60 23.820 -15.435 10.984 1.00 52.01 C ATOM 0 H THR A 60 24.451 -15.341 7.716 1.00 54.44 H new ATOM 0 HA THR A 60 22.553 -13.768 9.327 1.00 13.13 H new ATOM 0 HB THR A 60 24.555 -13.435 10.833 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.309 -14.954 10.504 1.00 64.13 H new ATOM 0 HG21 THR A 60 24.461 -15.691 11.828 1.00 52.01 H new ATOM 0 HG22 THR A 60 22.846 -15.114 11.353 1.00 52.01 H new ATOM 0 HG23 THR A 60 23.696 -16.309 10.344 1.00 52.01 H new ATOM 868 N GLU A 61 24.077 -11.553 9.171 1.00 22.20 N ATOM 869 CA GLU A 61 24.552 -10.253 8.712 1.00 34.44 C ATOM 870 C GLU A 61 26.076 -10.225 8.641 1.00 75.15 C ATOM 871 O GLU A 61 26.656 -9.484 7.848 1.00 20.20 O ATOM 872 CB GLU A 61 24.054 -9.146 9.644 1.00 63.34 C ATOM 873 CG GLU A 61 22.693 -8.592 9.257 1.00 15.31 C ATOM 874 CD GLU A 61 22.212 -7.512 10.206 1.00 74.31 C ATOM 875 OE1 GLU A 61 21.964 -7.829 11.389 1.00 31.33 O ATOM 876 OE2 GLU A 61 22.082 -6.350 9.768 1.00 53.10 O1- ATOM 0 H GLU A 61 23.732 -11.562 10.131 1.00 22.20 H new ATOM 0 HA GLU A 61 24.155 -10.082 7.711 1.00 34.44 H new ATOM 0 HB2 GLU A 61 24.003 -9.534 10.661 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.780 -8.333 9.649 1.00 63.34 H new ATOM 0 HG2 GLU A 61 22.744 -8.186 8.247 1.00 15.31 H new ATOM 0 HG3 GLU A 61 21.966 -9.404 9.238 1.00 15.31 H new ATOM 883 N GLU A 62 26.717 -11.038 9.475 1.00 42.53 N ATOM 884 CA GLU A 62 28.173 -11.105 9.507 1.00 43.33 C ATOM 885 C GLU A 62 28.707 -11.907 8.324 1.00 65.32 C ATOM 886 O GLU A 62 29.837 -11.701 7.882 1.00 62.24 O ATOM 887 CB GLU A 62 28.648 -11.733 10.819 1.00 54.13 C ATOM 888 CG GLU A 62 27.935 -11.192 12.047 1.00 32.32 C ATOM 889 CD GLU A 62 28.896 -10.725 13.122 1.00 63.21 C ATOM 890 OE1 GLU A 62 29.963 -11.355 13.279 1.00 22.34 O1- ATOM 891 OE2 GLU A 62 28.582 -9.728 13.806 1.00 12.42 O ATOM 0 H GLU A 62 26.251 -11.659 10.137 1.00 42.53 H new ATOM 0 HA GLU A 62 28.559 -10.088 9.438 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.501 -12.812 10.770 1.00 54.13 H new ATOM 0 HB3 GLU A 62 29.719 -11.562 10.927 1.00 54.13 H new ATOM 0 HG2 GLU A 62 27.293 -10.361 11.753 1.00 32.32 H new ATOM 0 HG3 GLU A 62 27.287 -11.967 12.456 1.00 32.32 H new ATOM 898 N GLU A 63 27.886 -12.821 7.817 1.00 72.05 N ATOM 899 CA GLU A 63 28.276 -13.654 6.686 1.00 4.24 C ATOM 900 C GLU A 63 27.818 -13.034 5.369 1.00 63.22 C ATOM 901 O GLU A 63 28.452 -13.217 4.330 1.00 24.32 O ATOM 902 CB GLU A 63 27.688 -15.059 6.832 1.00 2.20 C ATOM 903 CG GLU A 63 27.893 -15.936 5.608 1.00 63.03 C ATOM 904 CD GLU A 63 29.354 -16.069 5.225 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.219 -15.865 6.102 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 29.632 -16.378 4.048 1.00 13.21 O ATOM 0 H GLU A 63 26.947 -13.003 8.171 1.00 72.05 H new ATOM 0 HA GLU A 63 29.364 -13.722 6.677 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.141 -15.545 7.696 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.620 -14.977 7.035 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.480 -16.926 5.802 1.00 63.03 H new ATOM 0 HG3 GLU A 63 27.338 -15.518 4.769 1.00 63.03 H new ATOM 913 N PHE A 64 26.712 -12.299 5.421 1.00 65.55 N ATOM 914 CA PHE A 64 26.167 -11.652 4.233 1.00 2.44 C ATOM 915 C PHE A 64 27.055 -10.495 3.788 1.00 64.41 C ATOM 916 O PHE A 64 26.985 -9.396 4.340 1.00 23.03 O ATOM 917 CB PHE A 64 24.749 -11.146 4.507 1.00 11.52 C ATOM 918 CG PHE A 64 24.065 -10.591 3.291 1.00 62.32 C ATOM 919 CD1 PHE A 64 24.305 -9.290 2.878 1.00 2.21 C ATOM 920 CD2 PHE A 64 23.183 -11.370 2.559 1.00 23.14 C ATOM 921 CE1 PHE A 64 23.676 -8.777 1.759 1.00 22.10 C ATOM 922 CE2 PHE A 64 22.552 -10.862 1.440 1.00 23.23 C ATOM 923 CZ PHE A 64 22.800 -9.564 1.039 1.00 20.10 C ATOM 0 H PHE A 64 26.176 -12.137 6.273 1.00 65.55 H new ATOM 0 HA PHE A 64 26.133 -12.390 3.431 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.151 -11.964 4.909 1.00 11.52 H new ATOM 0 HB3 PHE A 64 24.790 -10.374 5.275 1.00 11.52 H new ATOM 0 HD1 PHE A 64 24.991 -8.670 3.436 1.00 2.21 H new ATOM 0 HD2 PHE A 64 22.987 -12.386 2.867 1.00 23.14 H new ATOM 0 HE1 PHE A 64 23.870 -7.761 1.448 1.00 22.10 H new ATOM 0 HE2 PHE A 64 21.866 -11.479 0.879 1.00 23.23 H new ATOM 0 HZ PHE A 64 22.309 -9.165 0.163 1.00 20.10 H new ATOM 933 N VAL A 65 27.892 -10.749 2.787 1.00 21.05 N ATOM 934 CA VAL A 65 28.794 -9.729 2.267 1.00 15.40 C ATOM 935 C VAL A 65 28.199 -9.041 1.043 1.00 44.42 C ATOM 936 O VAL A 65 27.090 -9.361 0.618 1.00 15.41 O ATOM 937 CB VAL A 65 30.162 -10.329 1.890 1.00 4.22 C ATOM 938 CG1 VAL A 65 30.843 -10.917 3.117 1.00 44.35 C ATOM 939 CG2 VAL A 65 30.000 -11.382 0.804 1.00 3.14 C ATOM 0 H VAL A 65 27.964 -11.653 2.320 1.00 21.05 H new ATOM 0 HA VAL A 65 28.933 -8.995 3.061 1.00 15.40 H new ATOM 0 HB VAL A 65 30.795 -9.532 1.500 1.00 4.22 H new ATOM 0 HG11 VAL A 65 31.808 -11.336 2.832 1.00 44.35 H new ATOM 0 HG12 VAL A 65 30.993 -10.134 3.860 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.217 -11.703 3.539 1.00 44.35 H new ATOM 0 HG21 VAL A 65 30.976 -11.795 0.550 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.351 -12.180 1.165 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.557 -10.926 -0.082 1.00 3.14 H new ATOM 949 N GLU A 66 28.946 -8.095 0.481 1.00 71.12 N ATOM 950 CA GLU A 66 28.491 -7.362 -0.694 1.00 72.12 C ATOM 951 C GLU A 66 28.851 -8.109 -1.975 1.00 23.14 C ATOM 952 O GLU A 66 29.695 -9.004 -1.968 1.00 1.30 O ATOM 953 CB GLU A 66 29.106 -5.961 -0.718 1.00 3.54 C ATOM 954 CG GLU A 66 28.360 -4.984 -1.611 1.00 73.15 C ATOM 955 CD GLU A 66 28.904 -3.572 -1.514 1.00 11.41 C ATOM 956 OE1 GLU A 66 28.842 -2.987 -0.413 1.00 4.44 O1- ATOM 957 OE2 GLU A 66 29.392 -3.053 -2.539 1.00 63.51 O ATOM 0 H GLU A 66 29.867 -7.819 0.820 1.00 71.12 H new ATOM 0 HA GLU A 66 27.406 -7.274 -0.638 1.00 72.12 H new ATOM 0 HB2 GLU A 66 29.130 -5.566 0.298 1.00 3.54 H new ATOM 0 HB3 GLU A 66 30.140 -6.033 -1.056 1.00 3.54 H new ATOM 0 HG2 GLU A 66 28.422 -5.323 -2.645 1.00 73.15 H new ATOM 0 HG3 GLU A 66 27.305 -4.982 -1.339 1.00 73.15 H new ATOM 964 N GLY A 67 28.203 -7.735 -3.074 1.00 24.52 N ATOM 965 CA GLY A 67 28.467 -8.380 -4.347 1.00 43.11 C ATOM 966 C GLY A 67 27.206 -8.903 -5.004 1.00 53.01 C ATOM 967 O GLY A 67 26.105 -8.721 -4.484 1.00 30.33 O ATOM 0 H GLY A 67 27.500 -6.997 -3.105 1.00 24.52 H new ATOM 0 HA2 GLY A 67 28.954 -7.671 -5.016 1.00 43.11 H new ATOM 0 HA3 GLY A 67 29.163 -9.205 -4.195 1.00 43.11 H new ATOM 971 N ILE A 68 27.365 -9.555 -6.151 1.00 63.14 N ATOM 972 CA ILE A 68 26.230 -10.106 -6.881 1.00 74.20 C ATOM 973 C ILE A 68 25.855 -11.486 -6.353 1.00 31.45 C ATOM 974 O ILE A 68 26.714 -12.244 -5.901 1.00 12.54 O ATOM 975 CB ILE A 68 26.525 -10.208 -8.389 1.00 73.34 C ATOM 976 CG1 ILE A 68 27.115 -8.894 -8.905 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.259 -10.563 -9.154 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.622 -8.916 -9.030 1.00 72.12 C ATOM 0 H ILE A 68 28.269 -9.715 -6.595 1.00 63.14 H new ATOM 0 HA ILE A 68 25.395 -9.422 -6.729 1.00 74.20 H new ATOM 0 HB ILE A 68 27.256 -11.000 -8.548 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.681 -8.668 -9.879 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.826 -8.086 -8.232 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.484 -10.631 -10.218 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.878 -11.521 -8.802 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.507 -9.791 -8.991 1.00 20.00 H new ATOM 0 HD11 ILE A 68 28.970 -7.952 -9.401 1.00 72.12 H new ATOM 0 HD12 ILE A 68 29.065 -9.111 -8.053 1.00 72.12 H new ATOM 0 HD13 ILE A 68 28.918 -9.701 -9.726 1.00 72.12 H new ATOM 990 N TYR A 69 24.567 -11.808 -6.416 1.00 70.53 N ATOM 991 CA TYR A 69 24.078 -13.098 -5.944 1.00 5.55 C ATOM 992 C TYR A 69 23.005 -13.648 -6.878 1.00 31.10 C ATOM 993 O TYR A 69 22.165 -12.905 -7.385 1.00 43.33 O ATOM 994 CB TYR A 69 23.518 -12.967 -4.526 1.00 75.15 C ATOM 995 CG TYR A 69 24.563 -12.611 -3.493 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.941 -11.291 -3.284 1.00 43.05 C ATOM 997 CD2 TYR A 69 25.173 -13.596 -2.725 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.896 -10.961 -2.342 1.00 42.14 C ATOM 999 CE2 TYR A 69 26.127 -13.276 -1.779 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.486 -11.958 -1.591 1.00 12.51 C ATOM 1001 OH TYR A 69 27.437 -11.635 -0.651 1.00 52.05 O ATOM 0 H TYR A 69 23.843 -11.193 -6.789 1.00 70.53 H new ATOM 0 HA TYR A 69 24.916 -13.794 -5.933 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.739 -12.204 -4.521 1.00 75.15 H new ATOM 0 HB3 TYR A 69 23.045 -13.907 -4.243 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.480 -10.508 -3.868 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.896 -14.630 -2.871 1.00 31.25 H new ATOM 0 HE1 TYR A 69 26.179 -9.929 -2.194 1.00 42.14 H new ATOM 0 HE2 TYR A 69 26.589 -14.054 -1.190 1.00 72.34 H new ATOM 0 HH TYR A 69 27.056 -11.006 -0.003 1.00 52.05 H new ATOM 1011 N LYS A 70 23.038 -14.958 -7.100 1.00 53.33 N ATOM 1012 CA LYS A 70 22.069 -15.612 -7.971 1.00 53.10 C ATOM 1013 C LYS A 70 21.161 -16.541 -7.173 1.00 14.23 C ATOM 1014 O LYS A 70 21.631 -17.345 -6.368 1.00 71.33 O ATOM 1015 CB LYS A 70 22.788 -16.401 -9.067 1.00 4.23 C ATOM 1016 CG LYS A 70 21.857 -16.938 -10.140 1.00 73.02 C ATOM 1017 CD LYS A 70 22.519 -18.038 -10.953 1.00 24.44 C ATOM 1018 CE LYS A 70 22.602 -19.338 -10.168 1.00 24.25 C ATOM 1019 NZ LYS A 70 23.363 -20.384 -10.906 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.726 -15.588 -6.688 1.00 53.33 H new ATOM 0 HA LYS A 70 21.454 -14.840 -8.433 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.535 -15.760 -9.534 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.323 -17.234 -8.612 1.00 4.23 H new ATOM 0 HG2 LYS A 70 20.949 -17.324 -9.676 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.556 -16.126 -10.802 1.00 73.02 H new ATOM 0 HD2 LYS A 70 21.956 -18.202 -11.872 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.521 -17.723 -11.245 1.00 24.44 H new ATOM 0 HE2 LYS A 70 23.080 -19.152 -9.206 1.00 24.25 H new ATOM 0 HE3 LYS A 70 21.596 -19.701 -9.959 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 22.835 -21.280 -10.881 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 23.493 -20.086 -11.894 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 24.293 -20.517 -10.459 1.00 5.14 H new ATOM 1033 N VAL A 71 19.856 -16.427 -7.402 1.00 73.11 N ATOM 1034 CA VAL A 71 18.882 -17.259 -6.706 1.00 34.45 C ATOM 1035 C VAL A 71 18.202 -18.229 -7.666 1.00 63.22 C ATOM 1036 O VAL A 71 17.849 -17.863 -8.786 1.00 63.42 O ATOM 1037 CB VAL A 71 17.807 -16.403 -6.011 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.731 -17.289 -5.400 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.438 -15.510 -4.954 1.00 13.51 C ATOM 0 H VAL A 71 19.449 -15.766 -8.064 1.00 73.11 H new ATOM 0 HA VAL A 71 19.430 -17.823 -5.951 1.00 34.45 H new ATOM 0 HB VAL A 71 17.336 -15.765 -6.759 1.00 32.41 H new ATOM 0 HG11 VAL A 71 15.980 -16.667 -4.913 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.259 -17.881 -6.184 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.182 -17.955 -4.664 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.664 -14.912 -4.473 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.936 -16.127 -4.207 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.167 -14.850 -5.424 1.00 13.51 H new ATOM 1049 N GLU A 72 18.022 -19.468 -7.218 1.00 52.24 N ATOM 1050 CA GLU A 72 17.384 -20.490 -8.039 1.00 34.02 C ATOM 1051 C GLU A 72 16.193 -21.107 -7.311 1.00 45.41 C ATOM 1052 O GLU A 72 16.342 -21.683 -6.232 1.00 32.53 O ATOM 1053 CB GLU A 72 18.391 -21.582 -8.408 1.00 24.24 C ATOM 1054 CG GLU A 72 19.494 -21.103 -9.337 1.00 50.22 C ATOM 1055 CD GLU A 72 20.060 -22.219 -10.194 1.00 65.25 C ATOM 1056 OE1 GLU A 72 19.261 -23.000 -10.752 1.00 13.41 O ATOM 1057 OE2 GLU A 72 21.300 -22.310 -10.306 1.00 24.10 O1- ATOM 0 H GLU A 72 18.309 -19.787 -6.293 1.00 52.24 H new ATOM 0 HA GLU A 72 17.024 -20.014 -8.951 1.00 34.02 H new ATOM 0 HB2 GLU A 72 18.840 -21.974 -7.495 1.00 24.24 H new ATOM 0 HB3 GLU A 72 17.861 -22.408 -8.882 1.00 24.24 H new ATOM 0 HG2 GLU A 72 19.104 -20.316 -9.983 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.296 -20.662 -8.745 1.00 50.22 H new ATOM 1064 N ILE A 73 15.012 -20.983 -7.908 1.00 61.12 N ATOM 1065 CA ILE A 73 13.797 -21.528 -7.317 1.00 75.21 C ATOM 1066 C ILE A 73 13.347 -22.788 -8.049 1.00 61.50 C ATOM 1067 O ILE A 73 13.291 -22.817 -9.279 1.00 61.15 O ATOM 1068 CB ILE A 73 12.650 -20.499 -7.338 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.142 -19.145 -6.825 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.479 -20.995 -6.503 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.074 -18.074 -6.826 1.00 64.32 C ATOM 0 H ILE A 73 14.871 -20.510 -8.801 1.00 61.12 H new ATOM 0 HA ILE A 73 14.033 -21.776 -6.282 1.00 75.21 H new ATOM 0 HB ILE A 73 12.311 -20.375 -8.366 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.522 -19.266 -5.811 1.00 2.24 H new ATOM 0 HG13 ILE A 73 13.978 -18.814 -7.441 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.677 -20.258 -6.527 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.117 -21.939 -6.909 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.804 -21.144 -5.473 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.494 -17.141 -6.450 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.710 -17.924 -7.842 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.248 -18.384 -6.186 1.00 64.32 H new ATOM 1083 N ASP A 74 13.027 -23.827 -7.285 1.00 20.43 N ATOM 1084 CA ASP A 74 12.579 -25.090 -7.861 1.00 51.21 C ATOM 1085 C ASP A 74 11.058 -25.195 -7.823 1.00 25.22 C ATOM 1086 O ASP A 74 10.489 -25.824 -6.930 1.00 75.54 O ATOM 1087 CB ASP A 74 13.203 -26.266 -7.109 1.00 1.22 C ATOM 1088 CG ASP A 74 14.546 -26.674 -7.683 1.00 72.00 C ATOM 1089 OD1 ASP A 74 15.011 -26.009 -8.631 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 15.130 -27.658 -7.184 1.00 5.22 O ATOM 0 H ASP A 74 13.069 -23.820 -6.266 1.00 20.43 H new ATOM 0 HA ASP A 74 12.901 -25.122 -8.902 1.00 51.21 H new ATOM 0 HB2 ASP A 74 13.326 -25.998 -6.060 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.523 -27.117 -7.143 1.00 1.22 H new ATOM 1095 N THR A 75 10.402 -24.572 -8.798 1.00 25.23 N ATOM 1096 CA THR A 75 8.947 -24.594 -8.876 1.00 73.01 C ATOM 1097 C THR A 75 8.432 -26.001 -9.153 1.00 65.31 C ATOM 1098 O THR A 75 7.311 -26.349 -8.780 1.00 53.44 O ATOM 1099 CB THR A 75 8.429 -23.644 -9.972 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.635 -24.228 -11.263 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.134 -22.298 -9.900 1.00 30.20 C ATOM 0 H THR A 75 10.856 -24.046 -9.545 1.00 25.23 H new ATOM 0 HA THR A 75 8.574 -24.258 -7.909 1.00 73.01 H new ATOM 0 HB THR A 75 7.363 -23.486 -9.811 1.00 32.14 H new ATOM 0 HG1 THR A 75 7.852 -24.765 -11.508 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.751 -21.644 -10.684 1.00 30.20 H new ATOM 0 HG22 THR A 75 8.951 -21.843 -8.927 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.206 -22.441 -10.038 1.00 30.20 H new ATOM 1109 N LYS A 76 9.257 -26.810 -9.810 1.00 33.31 N ATOM 1110 CA LYS A 76 8.886 -28.181 -10.137 1.00 53.53 C ATOM 1111 C LYS A 76 8.403 -28.925 -8.895 1.00 52.22 C ATOM 1112 O LYS A 76 7.416 -29.658 -8.944 1.00 33.40 O ATOM 1113 CB LYS A 76 10.076 -28.919 -10.755 1.00 42.11 C ATOM 1114 CG LYS A 76 11.316 -28.918 -9.878 1.00 35.11 C ATOM 1115 CD LYS A 76 11.441 -30.209 -9.087 1.00 64.45 C ATOM 1116 CE LYS A 76 12.273 -31.241 -9.832 1.00 4.34 C ATOM 1117 NZ LYS A 76 12.153 -32.595 -9.225 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.188 -26.539 -10.127 1.00 33.31 H new ATOM 0 HA LYS A 76 8.071 -28.148 -10.860 1.00 53.53 H new ATOM 0 HB2 LYS A 76 9.787 -29.950 -10.959 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.319 -28.460 -11.713 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.202 -28.784 -10.499 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.277 -28.072 -9.192 1.00 35.11 H new ATOM 0 HD2 LYS A 76 11.898 -30.001 -8.120 1.00 64.45 H new ATOM 0 HD3 LYS A 76 10.448 -30.614 -8.890 1.00 64.45 H new ATOM 0 HE2 LYS A 76 11.954 -31.281 -10.874 1.00 4.34 H new ATOM 0 HE3 LYS A 76 13.319 -30.934 -9.830 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 12.735 -33.269 -9.762 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 12.481 -32.564 -8.239 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 11.159 -32.900 -9.250 1.00 11.00 H new ATOM 1131 N SER A 77 9.104 -28.729 -7.783 1.00 50.35 N ATOM 1132 CA SER A 77 8.748 -29.383 -6.530 1.00 24.21 C ATOM 1133 C SER A 77 7.325 -29.022 -6.115 1.00 74.33 C ATOM 1134 O SER A 77 6.612 -29.837 -5.527 1.00 24.13 O ATOM 1135 CB SER A 77 9.729 -28.985 -5.425 1.00 2.11 C ATOM 1136 OG SER A 77 11.065 -29.274 -5.802 1.00 64.04 O ATOM 0 H SER A 77 9.922 -28.122 -7.725 1.00 50.35 H new ATOM 0 HA SER A 77 8.802 -30.461 -6.683 1.00 24.21 H new ATOM 0 HB2 SER A 77 9.630 -27.921 -5.212 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.483 -29.518 -4.507 1.00 2.11 H new ATOM 0 HG SER A 77 11.673 -29.009 -5.081 1.00 64.04 H new ATOM 1142 N TYR A 78 6.918 -27.796 -6.424 1.00 62.35 N ATOM 1143 CA TYR A 78 5.581 -27.326 -6.082 1.00 72.42 C ATOM 1144 C TYR A 78 4.566 -27.752 -7.138 1.00 51.41 C ATOM 1145 O TYR A 78 3.380 -27.912 -6.847 1.00 23.54 O ATOM 1146 CB TYR A 78 5.574 -25.803 -5.939 1.00 12.14 C ATOM 1147 CG TYR A 78 4.271 -25.250 -5.407 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.675 -25.792 -4.275 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.636 -24.187 -6.037 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.484 -25.291 -3.785 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.446 -23.679 -5.554 1.00 34.34 C ATOM 1152 CZ TYR A 78 1.874 -24.234 -4.428 1.00 21.50 C ATOM 1153 OH TYR A 78 0.688 -23.731 -3.945 1.00 72.23 O ATOM 0 H TYR A 78 7.495 -27.110 -6.911 1.00 62.35 H new ATOM 0 HA TYR A 78 5.299 -27.776 -5.130 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.384 -25.505 -5.273 1.00 12.14 H new ATOM 0 HB3 TYR A 78 5.779 -25.354 -6.911 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.151 -26.619 -3.769 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.080 -23.751 -6.919 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.034 -25.724 -2.904 1.00 24.52 H new ATOM 0 HE2 TYR A 78 1.966 -22.852 -6.055 1.00 34.34 H new ATOM 0 HH TYR A 78 0.628 -22.776 -4.156 1.00 72.23 H new ATOM 1163 N TRP A 79 5.041 -27.936 -8.365 1.00 73.24 N ATOM 1164 CA TRP A 79 4.176 -28.344 -9.466 1.00 62.55 C ATOM 1165 C TRP A 79 3.894 -29.842 -9.410 1.00 11.32 C ATOM 1166 O TRP A 79 2.871 -30.311 -9.909 1.00 34.45 O ATOM 1167 CB TRP A 79 4.817 -27.983 -10.807 1.00 35.20 C ATOM 1168 CG TRP A 79 4.973 -26.507 -11.012 1.00 34.11 C ATOM 1169 CD1 TRP A 79 6.112 -25.846 -11.373 1.00 52.43 C ATOM 1170 CD2 TRP A 79 3.957 -25.509 -10.866 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.865 -24.497 -11.461 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.550 -24.265 -11.156 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.603 -25.546 -10.522 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.835 -23.071 -11.109 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 1.895 -24.361 -10.476 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.511 -23.137 -10.769 1.00 2.41 C ATOM 0 H TRP A 79 6.020 -27.809 -8.622 1.00 73.24 H new ATOM 0 HA TRP A 79 3.230 -27.811 -9.369 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.796 -28.457 -10.873 1.00 35.20 H new ATOM 0 HB3 TRP A 79 4.209 -28.393 -11.614 1.00 35.20 H new ATOM 0 HD1 TRP A 79 7.067 -26.314 -11.562 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.550 -23.784 -11.713 1.00 13.12 H new ATOM 0 HE3 TRP A 79 2.119 -26.485 -10.296 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.308 -22.126 -11.333 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.849 -24.378 -10.210 1.00 34.34 H new ATOM 0 HH2 TRP A 79 1.930 -22.228 -10.726 1.00 2.41 H new ATOM 1187 N LYS A 80 4.808 -30.589 -8.799 1.00 14.35 N ATOM 1188 CA LYS A 80 4.658 -32.034 -8.676 1.00 74.13 C ATOM 1189 C LYS A 80 3.707 -32.387 -7.537 1.00 72.35 C ATOM 1190 O LYS A 80 3.151 -33.484 -7.497 1.00 42.42 O ATOM 1191 CB LYS A 80 6.020 -32.691 -8.440 1.00 2.35 C ATOM 1192 CG LYS A 80 6.518 -32.560 -7.011 1.00 11.13 C ATOM 1193 CD LYS A 80 6.385 -33.869 -6.252 1.00 4.54 C ATOM 1194 CE LYS A 80 7.622 -34.739 -6.419 1.00 14.23 C ATOM 1195 NZ LYS A 80 8.675 -34.404 -5.420 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.661 -30.217 -8.381 1.00 14.35 H new ATOM 0 HA LYS A 80 4.237 -32.411 -9.608 1.00 74.13 H new ATOM 0 HB2 LYS A 80 5.954 -33.748 -8.698 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.751 -32.244 -9.113 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.562 -32.246 -7.016 1.00 11.13 H new ATOM 0 HG3 LYS A 80 5.953 -31.782 -6.498 1.00 11.13 H new ATOM 0 HD2 LYS A 80 6.224 -33.662 -5.194 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.508 -34.410 -6.608 1.00 4.54 H new ATOM 0 HE2 LYS A 80 7.345 -35.788 -6.316 1.00 14.23 H new ATOM 0 HE3 LYS A 80 8.022 -34.612 -7.425 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 9.501 -35.018 -5.567 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 8.958 -33.410 -5.534 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 8.302 -34.549 -4.460 1.00 15.12 H new ATOM 1209 N ALA A 81 3.523 -31.449 -6.613 1.00 25.24 N ATOM 1210 CA ALA A 81 2.637 -31.661 -5.475 1.00 60.14 C ATOM 1211 C ALA A 81 1.189 -31.816 -5.929 1.00 25.04 C ATOM 1212 O ALA A 81 0.426 -32.589 -5.349 1.00 75.40 O ATOM 1213 CB ALA A 81 2.763 -30.510 -4.487 1.00 62.23 C ATOM 0 H ALA A 81 3.976 -30.535 -6.631 1.00 25.24 H new ATOM 0 HA ALA A 81 2.936 -32.585 -4.979 1.00 60.14 H new ATOM 0 HB1 ALA A 81 2.096 -30.681 -3.642 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.791 -30.447 -4.131 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.492 -29.576 -4.980 1.00 62.23 H new ATOM 1219 N LEU A 82 0.817 -31.075 -6.967 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.540 -31.130 -7.498 1.00 42.14 C ATOM 1221 C LEU A 82 -0.568 -31.834 -8.851 1.00 63.11 C ATOM 1222 O LEU A 82 -1.600 -32.356 -9.270 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.113 -29.718 -7.634 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.101 -28.574 -7.566 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.825 -28.609 -8.772 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.817 -27.233 -7.480 1.00 52.23 C ATOM 0 H LEU A 82 1.436 -30.429 -7.457 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.154 -31.700 -6.800 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.642 -29.652 -8.585 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -1.852 -29.570 -6.847 1.00 1.31 H new ATOM 0 HG LEU A 82 0.502 -28.700 -6.667 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.539 -27.788 -8.707 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.363 -29.557 -8.790 1.00 30.23 H new ATOM 0 HD13 LEU A 82 0.238 -28.508 -9.685 1.00 30.23 H new ATOM 0 HD21 LEU A 82 -0.081 -26.430 -7.432 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.444 -27.098 -8.361 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.439 -27.209 -6.585 1.00 52.23 H new ATOM 1238 N GLY A 83 0.576 -31.846 -9.530 1.00 74.15 N ATOM 1239 CA GLY A 83 0.661 -32.491 -10.827 1.00 24.44 C ATOM 1240 C GLY A 83 0.393 -31.532 -11.970 1.00 53.33 C ATOM 1241 O GLY A 83 -0.365 -31.847 -12.888 1.00 44.53 O ATOM 0 H GLY A 83 1.444 -31.421 -9.205 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.652 -32.928 -10.948 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.056 -33.311 -10.869 1.00 24.44 H new ATOM 1245 N ILE A 84 1.013 -30.359 -11.914 1.00 11.52 N ATOM 1246 CA ILE A 84 0.837 -29.351 -12.952 1.00 73.53 C ATOM 1247 C ILE A 84 1.893 -29.494 -14.042 1.00 73.31 C ATOM 1248 O ILE A 84 3.061 -29.760 -13.758 1.00 12.13 O ATOM 1249 CB ILE A 84 0.904 -27.926 -12.371 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.505 -27.400 -12.089 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.640 -26.999 -13.326 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.384 -28.390 -11.357 1.00 31.45 C ATOM 0 H ILE A 84 1.642 -30.083 -11.160 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.151 -29.512 -13.383 1.00 73.53 H new ATOM 0 HB ILE A 84 1.454 -27.958 -11.431 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.432 -26.486 -11.499 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -0.980 -27.133 -13.033 1.00 42.11 H new ATOM 0 HG21 ILE A 84 1.679 -25.996 -12.902 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.654 -27.367 -13.481 1.00 54.52 H new ATOM 0 HG23 ILE A 84 1.115 -26.969 -14.281 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.367 -27.950 -11.191 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.488 -29.296 -11.955 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -0.931 -28.639 -10.397 1.00 31.45 H new ATOM 1264 N SER A 85 1.475 -29.314 -15.291 1.00 52.21 N ATOM 1265 CA SER A 85 2.385 -29.424 -16.425 1.00 24.12 C ATOM 1266 C SER A 85 3.606 -28.531 -16.231 1.00 3.33 C ATOM 1267 O SER A 85 3.526 -27.304 -16.291 1.00 53.24 O ATOM 1268 CB SER A 85 1.665 -29.049 -17.722 1.00 54.52 C ATOM 1269 OG SER A 85 2.363 -29.541 -18.853 1.00 23.32 O ATOM 0 H SER A 85 0.512 -29.091 -15.543 1.00 52.21 H new ATOM 0 HA SER A 85 2.721 -30.459 -16.490 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.653 -29.454 -17.710 1.00 54.52 H new ATOM 0 HB3 SER A 85 1.573 -27.965 -17.790 1.00 54.52 H new ATOM 0 HG SER A 85 1.882 -29.290 -19.669 1.00 23.32 H new ATOM 1275 N PRO A 86 4.766 -29.160 -15.992 1.00 42.12 N ATOM 1276 CA PRO A 86 6.028 -28.443 -15.784 1.00 71.24 C ATOM 1277 C PRO A 86 6.536 -27.782 -17.061 1.00 40.35 C ATOM 1278 O PRO A 86 7.451 -28.288 -17.711 1.00 12.43 O ATOM 1279 CB PRO A 86 6.991 -29.543 -15.332 1.00 45.12 C ATOM 1280 CG PRO A 86 6.429 -30.798 -15.905 1.00 24.31 C ATOM 1281 CD PRO A 86 4.936 -30.621 -15.907 1.00 65.12 C ATOM 0 HA PRO A 86 5.921 -27.630 -15.066 1.00 71.24 H new ATOM 0 HB2 PRO A 86 8.001 -29.359 -15.697 1.00 45.12 H new ATOM 0 HB3 PRO A 86 7.049 -29.596 -14.245 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.803 -30.968 -16.915 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.718 -31.663 -15.308 1.00 24.31 H new ATOM 0 HD2 PRO A 86 4.472 -31.129 -16.752 1.00 65.12 H new ATOM 0 HD3 PRO A 86 4.482 -31.027 -15.003 1.00 65.12 H new ATOM 1289 N MET A 87 5.937 -26.650 -17.415 1.00 43.33 N ATOM 1290 CA MET A 87 6.331 -25.920 -18.615 1.00 1.42 C ATOM 1291 C MET A 87 7.836 -25.675 -18.632 1.00 55.04 C ATOM 1292 O MET A 87 8.495 -25.868 -19.654 1.00 10.13 O ATOM 1293 CB MET A 87 5.585 -24.587 -18.694 1.00 20.04 C ATOM 1294 CG MET A 87 4.337 -24.640 -19.561 1.00 72.24 C ATOM 1295 SD MET A 87 3.170 -25.904 -19.022 1.00 22.31 S ATOM 1296 CE MET A 87 1.934 -25.796 -20.314 1.00 35.42 C ATOM 0 H MET A 87 5.177 -26.218 -16.889 1.00 43.33 H new ATOM 0 HA MET A 87 6.070 -26.527 -19.482 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.305 -24.276 -17.687 1.00 20.04 H new ATOM 0 HB3 MET A 87 6.259 -23.826 -19.087 1.00 20.04 H new ATOM 0 HG2 MET A 87 3.846 -23.667 -19.544 1.00 72.24 H new ATOM 0 HG3 MET A 87 4.625 -24.834 -20.594 1.00 72.24 H new ATOM 0 HE1 MET A 87 1.076 -26.414 -20.049 1.00 35.42 H new ATOM 0 HE2 MET A 87 1.614 -24.760 -20.426 1.00 35.42 H new ATOM 0 HE3 MET A 87 2.359 -26.148 -21.254 1.00 35.42 H new ATOM 1306 N HIS A 88 8.375 -25.250 -17.494 1.00 0.52 N ATOM 1307 CA HIS A 88 9.804 -24.979 -17.378 1.00 51.21 C ATOM 1308 C HIS A 88 10.424 -25.800 -16.252 1.00 23.12 C ATOM 1309 O HIS A 88 9.723 -26.509 -15.531 1.00 50.35 O ATOM 1310 CB HIS A 88 10.044 -23.489 -17.130 1.00 24.12 C ATOM 1311 CG HIS A 88 9.388 -22.976 -15.886 1.00 62.11 C ATOM 1312 ND1 HIS A 88 10.093 -22.616 -14.757 1.00 74.54 N ATOM 1313 CD2 HIS A 88 8.083 -22.761 -15.597 1.00 20.22 C ATOM 1314 CE1 HIS A 88 9.250 -22.204 -13.826 1.00 21.10 C ATOM 1315 NE2 HIS A 88 8.024 -22.282 -14.311 1.00 3.14 N ATOM 0 H HIS A 88 7.844 -25.086 -16.639 1.00 0.52 H new ATOM 0 HA HIS A 88 10.279 -25.265 -18.316 1.00 51.21 H new ATOM 0 HB2 HIS A 88 11.117 -23.308 -17.066 1.00 24.12 H new ATOM 0 HB3 HIS A 88 9.675 -22.923 -17.985 1.00 24.12 H new ATOM 0 HD2 HIS A 88 7.244 -22.934 -16.255 1.00 20.22 H new ATOM 0 HE1 HIS A 88 9.518 -21.862 -12.837 1.00 21.10 H new ATOM 0 HE2 HIS A 88 7.172 -22.028 -13.812 1.00 3.14 H new ATOM 1323 N GLU A 89 11.742 -25.700 -16.109 1.00 53.32 N ATOM 1324 CA GLU A 89 12.455 -26.436 -15.071 1.00 13.34 C ATOM 1325 C GLU A 89 12.465 -25.655 -13.760 1.00 2.34 C ATOM 1326 O GLU A 89 11.747 -25.993 -12.818 1.00 33.31 O ATOM 1327 CB GLU A 89 13.890 -26.726 -15.515 1.00 13.54 C ATOM 1328 CG GLU A 89 14.042 -28.044 -16.257 1.00 22.51 C ATOM 1329 CD GLU A 89 13.222 -28.095 -17.531 1.00 44.10 C ATOM 1330 OE1 GLU A 89 11.984 -28.228 -17.433 1.00 63.34 O ATOM 1331 OE2 GLU A 89 13.816 -28.002 -18.625 1.00 31.10 O1- ATOM 0 H GLU A 89 12.337 -25.117 -16.698 1.00 53.32 H new ATOM 0 HA GLU A 89 11.935 -27.380 -14.908 1.00 13.34 H new ATOM 0 HB2 GLU A 89 14.234 -25.915 -16.157 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.538 -26.735 -14.639 1.00 13.54 H new ATOM 0 HG2 GLU A 89 15.093 -28.201 -16.500 1.00 22.51 H new ATOM 0 HG3 GLU A 89 13.740 -28.862 -15.602 1.00 22.51 H new ATOM 1338 N HIS A 90 13.284 -24.610 -13.707 1.00 12.33 N ATOM 1339 CA HIS A 90 13.388 -23.780 -12.511 1.00 64.04 C ATOM 1340 C HIS A 90 13.549 -22.309 -12.883 1.00 64.34 C ATOM 1341 O HIS A 90 13.769 -21.974 -14.047 1.00 61.10 O ATOM 1342 CB HIS A 90 14.569 -24.233 -11.652 1.00 14.33 C ATOM 1343 CG HIS A 90 15.827 -24.459 -12.433 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.535 -25.642 -12.395 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.502 -23.646 -13.279 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.592 -25.545 -13.181 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.595 -24.344 -13.730 1.00 64.31 N ATOM 0 H HIS A 90 13.885 -24.317 -14.477 1.00 12.33 H new ATOM 0 HA HIS A 90 12.467 -23.893 -11.939 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.758 -23.483 -10.884 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.300 -25.155 -11.137 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.231 -22.636 -13.549 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.329 -26.317 -13.347 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.295 -23.992 -14.383 1.00 64.31 H new ATOM 1355 N ALA A 91 13.437 -21.437 -11.887 1.00 30.43 N ATOM 1356 CA ALA A 91 13.572 -20.002 -12.110 1.00 4.31 C ATOM 1357 C ALA A 91 14.867 -19.472 -11.504 1.00 13.54 C ATOM 1358 O ALA A 91 15.071 -19.545 -10.293 1.00 55.12 O ATOM 1359 CB ALA A 91 12.374 -19.264 -11.530 1.00 53.12 C ATOM 0 H ALA A 91 13.253 -21.698 -10.918 1.00 30.43 H new ATOM 0 HA ALA A 91 13.607 -19.827 -13.185 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.487 -18.194 -11.703 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.462 -19.615 -12.012 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.314 -19.454 -10.458 1.00 53.12 H new ATOM 1365 N GLU A 92 15.738 -18.938 -12.355 1.00 71.53 N ATOM 1366 CA GLU A 92 17.014 -18.397 -11.902 1.00 22.11 C ATOM 1367 C GLU A 92 17.098 -16.899 -12.177 1.00 21.04 C ATOM 1368 O GLU A 92 16.851 -16.447 -13.296 1.00 35.42 O ATOM 1369 CB GLU A 92 18.173 -19.120 -12.591 1.00 20.12 C ATOM 1370 CG GLU A 92 18.013 -20.630 -12.629 1.00 3.34 C ATOM 1371 CD GLU A 92 19.174 -21.323 -13.316 1.00 5.13 C ATOM 1372 OE1 GLU A 92 20.309 -21.223 -12.805 1.00 51.43 O ATOM 1373 OE2 GLU A 92 18.947 -21.964 -14.363 1.00 1.44 O1- ATOM 0 H GLU A 92 15.583 -18.869 -13.361 1.00 71.53 H new ATOM 0 HA GLU A 92 17.085 -18.555 -10.826 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.267 -18.748 -13.611 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.101 -18.874 -12.075 1.00 20.12 H new ATOM 0 HG2 GLU A 92 17.921 -21.007 -11.611 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.087 -20.881 -13.147 1.00 3.34 H new ATOM 1380 N VAL A 93 17.448 -16.133 -11.149 1.00 13.33 N ATOM 1381 CA VAL A 93 17.566 -14.685 -11.279 1.00 70.50 C ATOM 1382 C VAL A 93 18.833 -14.174 -10.605 1.00 3.53 C ATOM 1383 O VAL A 93 19.255 -14.696 -9.573 1.00 12.13 O ATOM 1384 CB VAL A 93 16.347 -13.966 -10.670 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.482 -12.459 -10.828 1.00 23.41 C ATOM 1386 CG2 VAL A 93 15.060 -14.464 -11.310 1.00 45.53 C ATOM 0 H VAL A 93 17.655 -16.491 -10.216 1.00 13.33 H new ATOM 0 HA VAL A 93 17.612 -14.466 -12.346 1.00 70.50 H new ATOM 0 HB VAL A 93 16.308 -14.194 -9.605 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.612 -11.968 -10.392 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.384 -12.119 -10.319 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.547 -12.209 -11.887 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.209 -13.945 -10.868 1.00 45.53 H new ATOM 0 HG22 VAL A 93 15.087 -14.268 -12.382 1.00 45.53 H new ATOM 0 HG23 VAL A 93 14.960 -15.536 -11.140 1.00 45.53 H new ATOM 1396 N VAL A 94 19.438 -13.148 -11.195 1.00 2.22 N ATOM 1397 CA VAL A 94 20.658 -12.563 -10.650 1.00 2.02 C ATOM 1398 C VAL A 94 20.394 -11.177 -10.074 1.00 12.31 C ATOM 1399 O VAL A 94 19.721 -10.353 -10.695 1.00 50.11 O ATOM 1400 CB VAL A 94 21.759 -12.461 -11.723 1.00 14.01 C ATOM 1401 CG1 VAL A 94 23.010 -11.818 -11.144 1.00 20.21 C ATOM 1402 CG2 VAL A 94 22.072 -13.834 -12.297 1.00 30.43 C ATOM 0 H VAL A 94 19.103 -12.705 -12.050 1.00 2.22 H new ATOM 0 HA VAL A 94 20.998 -13.225 -9.853 1.00 2.02 H new ATOM 0 HB VAL A 94 21.396 -11.828 -12.533 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.777 -11.754 -11.916 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.772 -10.817 -10.786 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.379 -12.422 -10.315 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.852 -13.743 -13.053 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.415 -14.492 -11.499 1.00 30.43 H new ATOM 0 HG23 VAL A 94 21.173 -14.252 -12.751 1.00 30.43 H new ATOM 1412 N PHE A 95 20.929 -10.924 -8.884 1.00 1.21 N ATOM 1413 CA PHE A 95 20.751 -9.637 -8.224 1.00 71.43 C ATOM 1414 C PHE A 95 22.098 -9.025 -7.851 1.00 71.25 C ATOM 1415 O PHE A 95 22.921 -9.662 -7.192 1.00 40.21 O ATOM 1416 CB PHE A 95 19.887 -9.797 -6.971 1.00 71.11 C ATOM 1417 CG PHE A 95 18.622 -10.570 -7.211 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.623 -11.956 -7.176 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.430 -9.912 -7.470 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.461 -12.669 -7.397 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.264 -10.620 -7.691 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.279 -12.001 -7.653 1.00 23.11 C ATOM 0 H PHE A 95 21.490 -11.594 -8.357 1.00 1.21 H new ATOM 0 HA PHE A 95 20.248 -8.967 -8.921 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.470 -10.300 -6.199 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.633 -8.809 -6.586 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.543 -12.484 -6.974 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.412 -8.833 -7.499 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.476 -13.749 -7.370 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.342 -10.095 -7.893 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.369 -12.557 -7.823 1.00 23.11 H new ATOM 1432 N THR A 96 22.318 -7.786 -8.278 1.00 53.44 N ATOM 1433 CA THR A 96 23.565 -7.088 -7.992 1.00 53.12 C ATOM 1434 C THR A 96 23.412 -6.158 -6.794 1.00 30.54 C ATOM 1435 O THR A 96 22.473 -5.366 -6.727 1.00 64.13 O ATOM 1436 CB THR A 96 24.042 -6.269 -9.206 1.00 32.55 C ATOM 1437 OG1 THR A 96 24.006 -7.077 -10.387 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.453 -5.746 -8.985 1.00 22.52 C ATOM 0 H THR A 96 21.648 -7.245 -8.824 1.00 53.44 H new ATOM 0 HA THR A 96 24.309 -7.851 -7.763 1.00 53.12 H new ATOM 0 HB THR A 96 23.372 -5.418 -9.329 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.309 -6.548 -11.154 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.768 -5.171 -9.855 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.470 -5.107 -8.102 1.00 22.52 H new ATOM 0 HG23 THR A 96 26.133 -6.585 -8.839 1.00 22.52 H new ATOM 1446 N ALA A 97 24.342 -6.259 -5.850 1.00 62.01 N ATOM 1447 CA ALA A 97 24.312 -5.425 -4.655 1.00 43.35 C ATOM 1448 C ALA A 97 25.413 -4.371 -4.693 1.00 12.42 C ATOM 1449 O ALA A 97 26.510 -4.624 -5.190 1.00 52.21 O ATOM 1450 CB ALA A 97 24.445 -6.285 -3.407 1.00 10.43 C ATOM 0 H ALA A 97 25.126 -6.911 -5.890 1.00 62.01 H new ATOM 0 HA ALA A 97 23.352 -4.909 -4.627 1.00 43.35 H new ATOM 0 HB1 ALA A 97 24.421 -5.649 -2.522 1.00 10.43 H new ATOM 0 HB2 ALA A 97 23.620 -6.996 -3.365 1.00 10.43 H new ATOM 0 HB3 ALA A 97 25.390 -6.828 -3.438 1.00 10.43 H new ATOM 1456 N ASN A 98 25.113 -3.188 -4.167 1.00 22.42 N ATOM 1457 CA ASN A 98 26.078 -2.095 -4.142 1.00 70.24 C ATOM 1458 C ASN A 98 26.435 -1.717 -2.708 1.00 0.21 C ATOM 1459 O ASN A 98 27.521 -1.200 -2.444 1.00 44.32 O ATOM 1460 CB ASN A 98 25.517 -0.876 -4.878 1.00 53.32 C ATOM 1461 CG ASN A 98 26.604 -0.049 -5.538 1.00 65.42 C ATOM 1462 OD1 ASN A 98 26.798 1.120 -5.205 1.00 61.01 O ATOM 1463 ND2 ASN A 98 27.319 -0.655 -6.480 1.00 50.32 N ATOM 0 H ASN A 98 24.209 -2.962 -3.752 1.00 22.42 H new ATOM 0 HA ASN A 98 26.984 -2.431 -4.646 1.00 70.24 H new ATOM 0 HB2 ASN A 98 24.806 -1.207 -5.635 1.00 53.32 H new ATOM 0 HB3 ASN A 98 24.966 -0.252 -4.174 1.00 53.32 H new ATOM 0 HD21 ASN A 98 28.064 -0.149 -6.959 1.00 50.32 H new ATOM 0 HD22 ASN A 98 27.123 -1.626 -6.724 1.00 50.32 H new ATOM 1470 N ASP A 99 25.515 -1.979 -1.786 1.00 15.12 N ATOM 1471 CA ASP A 99 25.734 -1.668 -0.378 1.00 4.24 C ATOM 1472 C ASP A 99 24.635 -2.275 0.489 1.00 73.21 C ATOM 1473 O ASP A 99 23.464 -2.280 0.110 1.00 53.11 O ATOM 1474 CB ASP A 99 25.787 -0.154 -0.171 1.00 62.12 C ATOM 1475 CG ASP A 99 26.066 0.223 1.271 1.00 13.14 C ATOM 1476 OD1 ASP A 99 27.036 -0.312 1.848 1.00 55.13 O ATOM 1477 OD2 ASP A 99 25.315 1.055 1.822 1.00 52.50 O1- ATOM 0 H ASP A 99 24.611 -2.406 -1.988 1.00 15.12 H new ATOM 0 HA ASP A 99 26.689 -2.101 -0.079 1.00 4.24 H new ATOM 0 HB2 ASP A 99 26.561 0.271 -0.811 1.00 62.12 H new ATOM 0 HB3 ASP A 99 24.839 0.286 -0.482 1.00 62.12 H new ATOM 1482 N SER A 100 25.022 -2.787 1.653 1.00 64.11 N ATOM 1483 CA SER A 100 24.070 -3.400 2.572 1.00 51.44 C ATOM 1484 C SER A 100 23.717 -2.444 3.707 1.00 2.13 C ATOM 1485 O SER A 100 24.114 -1.280 3.699 1.00 24.13 O ATOM 1486 CB SER A 100 24.645 -4.698 3.144 1.00 72.33 C ATOM 1487 OG SER A 100 23.612 -5.580 3.545 1.00 61.25 O ATOM 0 H SER A 100 25.988 -2.790 1.982 1.00 64.11 H new ATOM 0 HA SER A 100 23.161 -3.627 2.016 1.00 51.44 H new ATOM 0 HB2 SER A 100 25.271 -5.183 2.395 1.00 72.33 H new ATOM 0 HB3 SER A 100 25.285 -4.471 3.997 1.00 72.33 H new ATOM 0 HG SER A 100 23.678 -6.414 3.035 1.00 61.25 H new ATOM 1493 N GLY A 101 22.966 -2.946 4.683 1.00 42.21 N ATOM 1494 CA GLY A 101 22.570 -2.124 5.812 1.00 53.22 C ATOM 1495 C GLY A 101 21.148 -2.397 6.258 1.00 10.13 C ATOM 1496 O GLY A 101 20.534 -3.393 5.874 1.00 41.01 O ATOM 0 H GLY A 101 22.625 -3.907 4.712 1.00 42.21 H new ATOM 0 HA2 GLY A 101 23.250 -2.305 6.645 1.00 53.22 H new ATOM 0 HA3 GLY A 101 22.668 -1.072 5.543 1.00 53.22 H new ATOM 1500 N PRO A 102 20.601 -1.499 7.090 1.00 72.31 N ATOM 1501 CA PRO A 102 19.236 -1.627 7.608 1.00 62.41 C ATOM 1502 C PRO A 102 18.183 -1.411 6.527 1.00 55.41 C ATOM 1503 O PRO A 102 18.507 -1.299 5.345 1.00 30.03 O ATOM 1504 CB PRO A 102 19.152 -0.522 8.665 1.00 3.05 C ATOM 1505 CG PRO A 102 20.160 0.488 8.238 1.00 21.03 C ATOM 1506 CD PRO A 102 21.274 -0.288 7.589 1.00 22.35 C ATOM 0 HA PRO A 102 19.041 -2.626 7.999 1.00 62.41 H new ATOM 0 HB2 PRO A 102 18.152 -0.090 8.707 1.00 3.05 H new ATOM 0 HB3 PRO A 102 19.375 -0.908 9.660 1.00 3.05 H new ATOM 0 HG2 PRO A 102 19.725 1.203 7.540 1.00 21.03 H new ATOM 0 HG3 PRO A 102 20.527 1.058 9.091 1.00 21.03 H new ATOM 0 HD2 PRO A 102 21.738 0.276 6.780 1.00 22.35 H new ATOM 0 HD3 PRO A 102 22.062 -0.531 8.301 1.00 22.35 H new ATOM 1514 N ARG A 103 16.921 -1.354 6.940 1.00 52.42 N ATOM 1515 CA ARG A 103 15.820 -1.153 6.005 1.00 64.24 C ATOM 1516 C ARG A 103 15.768 -2.277 4.975 1.00 1.20 C ATOM 1517 O ARG A 103 15.679 -2.028 3.773 1.00 43.01 O ATOM 1518 CB ARG A 103 15.964 0.196 5.297 1.00 21.14 C ATOM 1519 CG ARG A 103 14.644 0.779 4.823 1.00 71.15 C ATOM 1520 CD ARG A 103 13.955 1.568 5.926 1.00 40.02 C ATOM 1521 NE ARG A 103 12.584 1.925 5.569 1.00 23.44 N ATOM 1522 CZ ARG A 103 11.826 2.742 6.292 1.00 72.30 C ATOM 1523 NH1 ARG A 103 12.303 3.284 7.404 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 10.588 3.019 5.902 1.00 23.55 N ATOM 0 H ARG A 103 16.636 -1.444 7.915 1.00 52.42 H new ATOM 0 HA ARG A 103 14.889 -1.161 6.572 1.00 64.24 H new ATOM 0 HB2 ARG A 103 16.441 0.903 5.975 1.00 21.14 H new ATOM 0 HB3 ARG A 103 16.628 0.078 4.441 1.00 21.14 H new ATOM 0 HG2 ARG A 103 14.819 1.428 3.965 1.00 71.15 H new ATOM 0 HG3 ARG A 103 13.990 -0.025 4.486 1.00 71.15 H new ATOM 0 HD2 ARG A 103 13.949 0.979 6.843 1.00 40.02 H new ATOM 0 HD3 ARG A 103 14.524 2.475 6.133 1.00 40.02 H new ATOM 0 HE ARG A 103 12.187 1.525 4.719 1.00 23.44 H new ATOM 0 HH11 ARG A 103 13.254 3.074 7.706 1.00 12.31 H new ATOM 0 HH12 ARG A 103 11.719 3.911 7.957 1.00 12.31 H new ATOM 0 HH21 ARG A 103 10.218 2.604 5.047 1.00 23.55 H new ATOM 0 HH22 ARG A 103 10.007 3.646 6.458 1.00 23.55 H new ATOM 1538 N ARG A 104 15.824 -3.515 5.455 1.00 42.23 N ATOM 1539 CA ARG A 104 15.786 -4.678 4.576 1.00 3.34 C ATOM 1540 C ARG A 104 14.490 -4.708 3.771 1.00 11.24 C ATOM 1541 O ARG A 104 13.463 -4.188 4.208 1.00 3.33 O ATOM 1542 CB ARG A 104 15.921 -5.965 5.392 1.00 1.21 C ATOM 1543 CG ARG A 104 17.248 -6.085 6.124 1.00 52.32 C ATOM 1544 CD ARG A 104 17.111 -6.913 7.393 1.00 23.35 C ATOM 1545 NE ARG A 104 16.227 -6.279 8.367 1.00 23.43 N ATOM 1546 CZ ARG A 104 16.080 -6.709 9.615 1.00 61.22 C ATOM 1547 NH1 ARG A 104 16.756 -7.768 10.038 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 15.257 -6.078 10.443 1.00 61.40 N ATOM 0 H ARG A 104 15.896 -3.739 6.448 1.00 42.23 H new ATOM 0 HA ARG A 104 16.624 -4.606 3.882 1.00 3.34 H new ATOM 0 HB2 ARG A 104 15.109 -6.012 6.118 1.00 1.21 H new ATOM 0 HB3 ARG A 104 15.804 -6.821 4.727 1.00 1.21 H new ATOM 0 HG2 ARG A 104 17.987 -6.543 5.467 1.00 52.32 H new ATOM 0 HG3 ARG A 104 17.618 -5.091 6.375 1.00 52.32 H new ATOM 0 HD2 ARG A 104 16.724 -7.901 7.142 1.00 23.35 H new ATOM 0 HD3 ARG A 104 18.095 -7.060 7.838 1.00 23.35 H new ATOM 0 HE ARG A 104 15.693 -5.461 8.073 1.00 23.43 H new ATOM 0 HH11 ARG A 104 17.391 -8.254 9.405 1.00 21.23 H new ATOM 0 HH12 ARG A 104 16.642 -8.096 10.997 1.00 21.23 H new ATOM 0 HH21 ARG A 104 14.737 -5.262 10.121 1.00 61.40 H new ATOM 0 HH22 ARG A 104 15.145 -6.409 11.401 1.00 61.40 H new ATOM 1562 N TYR A 105 14.546 -5.318 2.593 1.00 64.52 N ATOM 1563 CA TYR A 105 13.379 -5.413 1.725 1.00 43.23 C ATOM 1564 C TYR A 105 13.081 -6.866 1.369 1.00 12.34 C ATOM 1565 O TYR A 105 13.947 -7.735 1.478 1.00 73.32 O ATOM 1566 CB TYR A 105 13.598 -4.598 0.449 1.00 4.01 C ATOM 1567 CG TYR A 105 13.184 -3.150 0.576 1.00 12.10 C ATOM 1568 CD1 TYR A 105 11.891 -2.808 0.954 1.00 71.31 C ATOM 1569 CD2 TYR A 105 14.084 -2.124 0.318 1.00 32.04 C ATOM 1570 CE1 TYR A 105 11.508 -1.485 1.071 1.00 24.24 C ATOM 1571 CE2 TYR A 105 13.710 -0.799 0.434 1.00 72.42 C ATOM 1572 CZ TYR A 105 12.421 -0.485 0.810 1.00 22.41 C ATOM 1573 OH TYR A 105 12.044 0.833 0.926 1.00 41.31 O ATOM 0 H TYR A 105 15.388 -5.754 2.217 1.00 64.52 H new ATOM 0 HA TYR A 105 12.523 -5.007 2.265 1.00 43.23 H new ATOM 0 HB2 TYR A 105 14.652 -4.643 0.176 1.00 4.01 H new ATOM 0 HB3 TYR A 105 13.038 -5.057 -0.366 1.00 4.01 H new ATOM 0 HD1 TYR A 105 11.174 -3.589 1.160 1.00 71.31 H new ATOM 0 HD2 TYR A 105 15.094 -2.366 0.022 1.00 32.04 H new ATOM 0 HE1 TYR A 105 10.499 -1.236 1.365 1.00 24.24 H new ATOM 0 HE2 TYR A 105 14.423 -0.014 0.231 1.00 72.42 H new ATOM 0 HH TYR A 105 12.805 1.411 0.709 1.00 41.31 H new ATOM 1583 N THR A 106 11.849 -7.124 0.941 1.00 61.33 N ATOM 1584 CA THR A 106 11.435 -8.470 0.569 1.00 12.11 C ATOM 1585 C THR A 106 11.151 -8.565 -0.926 1.00 32.31 C ATOM 1586 O THR A 106 10.528 -7.676 -1.507 1.00 11.53 O ATOM 1587 CB THR A 106 10.179 -8.907 1.346 1.00 42.34 C ATOM 1588 OG1 THR A 106 10.452 -8.917 2.752 1.00 34.34 O ATOM 1589 CG2 THR A 106 9.721 -10.288 0.904 1.00 20.22 C ATOM 0 H THR A 106 11.120 -6.417 0.844 1.00 61.33 H new ATOM 0 HA THR A 106 12.260 -9.135 0.823 1.00 12.11 H new ATOM 0 HB THR A 106 9.382 -8.193 1.135 1.00 42.34 H new ATOM 0 HG1 THR A 106 10.172 -9.775 3.133 1.00 34.34 H new ATOM 0 HG21 THR A 106 8.833 -10.574 1.467 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.486 -10.270 -0.160 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.516 -11.011 1.088 1.00 20.22 H new ATOM 1597 N ILE A 107 11.612 -9.648 -1.543 1.00 71.42 N ATOM 1598 CA ILE A 107 11.405 -9.859 -2.971 1.00 74.04 C ATOM 1599 C ILE A 107 10.152 -10.688 -3.228 1.00 33.14 C ATOM 1600 O ILE A 107 10.061 -11.842 -2.810 1.00 43.14 O ATOM 1601 CB ILE A 107 12.614 -10.562 -3.616 1.00 63.22 C ATOM 1602 CG1 ILE A 107 13.904 -9.807 -3.292 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.421 -10.671 -5.121 1.00 32.41 C ATOM 1604 CD1 ILE A 107 13.886 -8.361 -3.736 1.00 2.32 C ATOM 0 H ILE A 107 12.131 -10.392 -1.077 1.00 71.42 H new ATOM 0 HA ILE A 107 11.284 -8.874 -3.422 1.00 74.04 H new ATOM 0 HB ILE A 107 12.692 -11.569 -3.205 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.078 -9.846 -2.217 1.00 62.44 H new ATOM 0 HG13 ILE A 107 14.742 -10.315 -3.769 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.283 -11.170 -5.563 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.521 -11.248 -5.332 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.321 -9.673 -5.548 1.00 32.41 H new ATOM 0 HD11 ILE A 107 14.832 -7.888 -3.474 1.00 2.32 H new ATOM 0 HD12 ILE A 107 13.743 -8.314 -4.816 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.069 -7.838 -3.239 1.00 2.32 H new ATOM 1616 N ALA A 108 9.187 -10.092 -3.922 1.00 44.40 N ATOM 1617 CA ALA A 108 7.940 -10.777 -4.239 1.00 61.41 C ATOM 1618 C ALA A 108 7.983 -11.374 -5.642 1.00 62.14 C ATOM 1619 O ALA A 108 8.027 -10.648 -6.634 1.00 70.45 O ATOM 1620 CB ALA A 108 6.764 -9.820 -4.106 1.00 74.04 C ATOM 0 H ALA A 108 9.245 -9.137 -4.275 1.00 44.40 H new ATOM 0 HA ALA A 108 7.812 -11.594 -3.529 1.00 61.41 H new ATOM 0 HB1 ALA A 108 5.839 -10.345 -4.346 1.00 74.04 H new ATOM 0 HB2 ALA A 108 6.714 -9.445 -3.084 1.00 74.04 H new ATOM 0 HB3 ALA A 108 6.896 -8.984 -4.793 1.00 74.04 H new ATOM 1626 N ALA A 109 7.971 -12.701 -5.716 1.00 63.14 N ATOM 1627 CA ALA A 109 8.007 -13.395 -6.997 1.00 74.21 C ATOM 1628 C ALA A 109 6.778 -14.279 -7.177 1.00 35.54 C ATOM 1629 O ALA A 109 6.330 -14.934 -6.237 1.00 62.10 O ATOM 1630 CB ALA A 109 9.278 -14.223 -7.113 1.00 25.13 C ATOM 0 H ALA A 109 7.937 -13.317 -4.904 1.00 63.14 H new ATOM 0 HA ALA A 109 8.002 -12.646 -7.789 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.292 -14.736 -8.075 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.147 -13.569 -7.038 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.308 -14.958 -6.309 1.00 25.13 H new ATOM 1636 N MET A 110 6.237 -14.292 -8.391 1.00 70.32 N ATOM 1637 CA MET A 110 5.060 -15.098 -8.694 1.00 45.12 C ATOM 1638 C MET A 110 5.401 -16.210 -9.680 1.00 15.33 C ATOM 1639 O MET A 110 6.252 -16.040 -10.553 1.00 41.41 O ATOM 1640 CB MET A 110 3.947 -14.217 -9.266 1.00 74.03 C ATOM 1641 CG MET A 110 3.159 -13.468 -8.203 1.00 13.10 C ATOM 1642 SD MET A 110 1.413 -13.300 -8.623 1.00 31.04 S ATOM 1643 CE MET A 110 0.651 -14.163 -7.251 1.00 0.14 C ATOM 0 H MET A 110 6.595 -13.754 -9.180 1.00 70.32 H new ATOM 0 HA MET A 110 4.714 -15.554 -7.766 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.384 -13.497 -9.958 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.263 -14.839 -9.843 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.251 -13.992 -7.251 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.593 -12.478 -8.065 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.399 -14.349 -7.476 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.161 -15.113 -7.090 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.727 -13.553 -6.351 1.00 0.14 H new ATOM 1653 N LEU A 111 4.732 -17.349 -9.535 1.00 31.10 N ATOM 1654 CA LEU A 111 4.964 -18.490 -10.413 1.00 3.04 C ATOM 1655 C LEU A 111 3.831 -18.640 -11.423 1.00 63.32 C ATOM 1656 O LEU A 111 2.671 -18.813 -11.048 1.00 10.01 O ATOM 1657 CB LEU A 111 5.102 -19.772 -9.590 1.00 34.42 C ATOM 1658 CG LEU A 111 6.531 -20.220 -9.278 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.373 -19.038 -8.824 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.529 -21.313 -8.221 1.00 11.55 C ATOM 0 H LEU A 111 4.024 -17.506 -8.817 1.00 31.10 H new ATOM 0 HA LEU A 111 5.891 -18.314 -10.959 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.572 -19.634 -8.648 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.598 -20.578 -10.123 1.00 34.42 H new ATOM 0 HG LEU A 111 6.971 -20.625 -10.189 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.386 -19.375 -8.606 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.402 -18.287 -9.614 1.00 40.44 H new ATOM 0 HD13 LEU A 111 6.935 -18.603 -7.926 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.554 -21.619 -8.012 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.070 -20.935 -7.308 1.00 11.55 H new ATOM 0 HD23 LEU A 111 5.962 -22.170 -8.585 1.00 11.55 H new ATOM 1672 N SER A 112 4.175 -18.575 -12.705 1.00 73.51 N ATOM 1673 CA SER A 112 3.187 -18.702 -13.769 1.00 51.32 C ATOM 1674 C SER A 112 3.803 -19.342 -15.010 1.00 24.21 C ATOM 1675 O SER A 112 4.396 -18.672 -15.855 1.00 14.52 O ATOM 1676 CB SER A 112 2.608 -17.331 -14.123 1.00 2.41 C ATOM 1677 OG SER A 112 3.474 -16.289 -13.707 1.00 5.42 O ATOM 0 H SER A 112 5.131 -18.435 -13.032 1.00 73.51 H new ATOM 0 HA SER A 112 2.384 -19.346 -13.410 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.448 -17.267 -15.199 1.00 2.41 H new ATOM 0 HB3 SER A 112 1.634 -17.210 -13.648 1.00 2.41 H new ATOM 0 HG SER A 112 3.602 -15.656 -14.444 1.00 5.42 H new ATOM 1683 N PRO A 113 3.660 -20.671 -15.122 1.00 54.43 N ATOM 1684 CA PRO A 113 4.195 -21.432 -16.255 1.00 23.13 C ATOM 1685 C PRO A 113 3.447 -21.143 -17.552 1.00 42.52 C ATOM 1686 O PRO A 113 4.051 -21.044 -18.620 1.00 32.13 O ATOM 1687 CB PRO A 113 3.991 -22.889 -15.832 1.00 11.42 C ATOM 1688 CG PRO A 113 2.853 -22.848 -14.872 1.00 14.31 C ATOM 1689 CD PRO A 113 2.965 -21.533 -14.152 1.00 11.21 C ATOM 0 HA PRO A 113 5.234 -21.177 -16.464 1.00 23.13 H new ATOM 0 HB2 PRO A 113 3.763 -23.522 -16.690 1.00 11.42 H new ATOM 0 HB3 PRO A 113 4.888 -23.295 -15.365 1.00 11.42 H new ATOM 0 HG2 PRO A 113 1.899 -22.927 -15.394 1.00 14.31 H new ATOM 0 HG3 PRO A 113 2.903 -23.682 -14.172 1.00 14.31 H new ATOM 0 HD2 PRO A 113 1.985 -21.134 -13.890 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.529 -21.630 -13.224 1.00 11.21 H new ATOM 1697 N TYR A 114 2.129 -21.009 -17.452 1.00 23.21 N ATOM 1698 CA TYR A 114 1.298 -20.734 -18.618 1.00 4.41 C ATOM 1699 C TYR A 114 1.376 -19.261 -19.007 1.00 5.12 C ATOM 1700 O TYR A 114 1.756 -18.923 -20.128 1.00 62.34 O ATOM 1701 CB TYR A 114 -0.155 -21.122 -18.338 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.311 -22.517 -17.775 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.298 -23.629 -18.608 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.473 -22.723 -16.410 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.441 -24.905 -18.098 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.615 -23.995 -15.891 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.598 -25.083 -16.739 1.00 23.21 C ATOM 1708 OH TYR A 114 -0.741 -26.352 -16.227 1.00 44.10 O ATOM 0 H TYR A 114 1.613 -21.086 -16.575 1.00 23.21 H new ATOM 0 HA TYR A 114 1.673 -21.331 -19.449 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.585 -20.406 -17.637 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.727 -21.046 -19.263 1.00 10.22 H new ATOM 0 HD1 TYR A 114 -0.174 -23.494 -19.672 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -0.488 -21.873 -15.743 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -0.430 -25.759 -18.760 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -0.739 -24.137 -14.828 1.00 70.43 H new ATOM 0 HH TYR A 114 -0.840 -26.303 -15.253 1.00 44.10 H new ATOM 1718 N SER A 115 1.014 -18.388 -18.072 1.00 54.30 N ATOM 1719 CA SER A 115 1.040 -16.951 -18.316 1.00 50.32 C ATOM 1720 C SER A 115 2.454 -16.399 -18.161 1.00 24.11 C ATOM 1721 O SER A 115 3.332 -17.058 -17.604 1.00 43.12 O ATOM 1722 CB SER A 115 0.091 -16.232 -17.356 1.00 73.32 C ATOM 1723 OG SER A 115 -0.333 -14.991 -17.892 1.00 23.24 O ATOM 0 H SER A 115 0.699 -18.651 -17.138 1.00 54.30 H new ATOM 0 HA SER A 115 0.711 -16.775 -19.340 1.00 50.32 H new ATOM 0 HB2 SER A 115 -0.777 -16.861 -17.158 1.00 73.32 H new ATOM 0 HB3 SER A 115 0.590 -16.068 -16.401 1.00 73.32 H new ATOM 0 HG SER A 115 -0.940 -14.552 -17.260 1.00 23.24 H new ATOM 1729 N TYR A 116 2.665 -15.185 -18.657 1.00 51.11 N ATOM 1730 CA TYR A 116 3.972 -14.544 -18.576 1.00 44.22 C ATOM 1731 C TYR A 116 4.489 -14.538 -17.141 1.00 31.31 C ATOM 1732 O TYR A 116 3.713 -14.437 -16.190 1.00 23.43 O ATOM 1733 CB TYR A 116 3.895 -13.111 -19.108 1.00 65.40 C ATOM 1734 CG TYR A 116 3.194 -12.154 -18.170 1.00 71.35 C ATOM 1735 CD1 TYR A 116 1.821 -12.226 -17.970 1.00 11.14 C ATOM 1736 CD2 TYR A 116 3.906 -11.179 -17.483 1.00 61.42 C ATOM 1737 CE1 TYR A 116 1.178 -11.353 -17.115 1.00 2.33 C ATOM 1738 CE2 TYR A 116 3.271 -10.303 -16.624 1.00 43.15 C ATOM 1739 CZ TYR A 116 1.907 -10.394 -16.444 1.00 73.22 C ATOM 1740 OH TYR A 116 1.269 -9.523 -15.590 1.00 0.32 O ATOM 0 H TYR A 116 1.948 -14.625 -19.119 1.00 51.11 H new ATOM 0 HA TYR A 116 4.667 -15.116 -19.191 1.00 44.22 H new ATOM 0 HB2 TYR A 116 4.905 -12.747 -19.296 1.00 65.40 H new ATOM 0 HB3 TYR A 116 3.374 -13.115 -20.065 1.00 65.40 H new ATOM 0 HD1 TYR A 116 1.247 -12.977 -18.492 1.00 11.14 H new ATOM 0 HD2 TYR A 116 4.974 -11.104 -17.623 1.00 61.42 H new ATOM 0 HE1 TYR A 116 0.110 -11.421 -16.973 1.00 2.33 H new ATOM 0 HE2 TYR A 116 3.840 -9.551 -16.097 1.00 43.15 H new ATOM 0 HH TYR A 116 1.925 -8.911 -15.196 1.00 0.32 H new ATOM 1750 N SER A 117 5.805 -14.646 -16.992 1.00 62.40 N ATOM 1751 CA SER A 117 6.427 -14.656 -15.673 1.00 41.11 C ATOM 1752 C SER A 117 6.094 -13.380 -14.905 1.00 1.43 C ATOM 1753 O SER A 117 5.624 -12.399 -15.482 1.00 74.14 O ATOM 1754 CB SER A 117 7.944 -14.807 -15.802 1.00 43.31 C ATOM 1755 OG SER A 117 8.280 -15.731 -16.822 1.00 60.44 O ATOM 0 H SER A 117 6.461 -14.728 -17.768 1.00 62.40 H new ATOM 0 HA SER A 117 6.031 -15.506 -15.118 1.00 41.11 H new ATOM 0 HB2 SER A 117 8.391 -13.838 -16.023 1.00 43.31 H new ATOM 0 HB3 SER A 117 8.361 -15.141 -14.852 1.00 43.31 H new ATOM 0 HG SER A 117 9.255 -15.808 -16.885 1.00 60.44 H new ATOM 1761 N THR A 118 6.342 -13.401 -13.599 1.00 44.23 N ATOM 1762 CA THR A 118 6.068 -12.248 -12.751 1.00 62.12 C ATOM 1763 C THR A 118 7.025 -12.198 -11.565 1.00 51.22 C ATOM 1764 O THR A 118 7.068 -13.121 -10.752 1.00 52.03 O ATOM 1765 CB THR A 118 4.620 -12.267 -12.227 1.00 41.11 C ATOM 1766 OG1 THR A 118 4.086 -13.593 -12.311 1.00 53.34 O ATOM 1767 CG2 THR A 118 3.744 -11.310 -13.022 1.00 30.23 C ATOM 0 H THR A 118 6.732 -14.204 -13.106 1.00 44.23 H new ATOM 0 HA THR A 118 6.211 -11.361 -13.368 1.00 62.12 H new ATOM 0 HB THR A 118 4.629 -11.945 -11.186 1.00 41.11 H new ATOM 0 HG1 THR A 118 3.166 -13.597 -11.975 1.00 53.34 H new ATOM 0 HG21 THR A 118 2.726 -11.341 -12.634 1.00 30.23 H new ATOM 0 HG22 THR A 118 4.136 -10.297 -12.932 1.00 30.23 H new ATOM 0 HG23 THR A 118 3.741 -11.606 -14.071 1.00 30.23 H new ATOM 1775 N MET A 119 7.790 -11.116 -11.473 1.00 51.10 N ATOM 1776 CA MET A 119 8.746 -10.946 -10.384 1.00 43.42 C ATOM 1777 C MET A 119 8.902 -9.472 -10.023 1.00 2.14 C ATOM 1778 O MET A 119 8.843 -8.601 -10.890 1.00 61.44 O ATOM 1779 CB MET A 119 10.104 -11.534 -10.772 1.00 20.41 C ATOM 1780 CG MET A 119 11.136 -11.466 -9.659 1.00 61.24 C ATOM 1781 SD MET A 119 12.754 -12.072 -10.174 1.00 43.35 S ATOM 1782 CE MET A 119 13.087 -13.280 -8.894 1.00 1.53 C ATOM 0 H MET A 119 7.767 -10.344 -12.139 1.00 51.10 H new ATOM 0 HA MET A 119 8.364 -11.477 -9.512 1.00 43.42 H new ATOM 0 HB2 MET A 119 9.969 -12.574 -11.068 1.00 20.41 H new ATOM 0 HB3 MET A 119 10.486 -11.002 -11.643 1.00 20.41 H new ATOM 0 HG2 MET A 119 11.230 -10.435 -9.319 1.00 61.24 H new ATOM 0 HG3 MET A 119 10.787 -12.052 -8.809 1.00 61.24 H new ATOM 0 HE1 MET A 119 14.105 -13.653 -9.002 1.00 1.53 H new ATOM 0 HE2 MET A 119 12.973 -12.814 -7.915 1.00 1.53 H new ATOM 0 HE3 MET A 119 12.385 -14.109 -8.985 1.00 1.53 H new ATOM 1792 N ALA A 120 9.100 -9.201 -8.737 1.00 51.45 N ATOM 1793 CA ALA A 120 9.266 -7.833 -8.262 1.00 71.34 C ATOM 1794 C ALA A 120 10.516 -7.699 -7.399 1.00 72.32 C ATOM 1795 O ALA A 120 10.696 -8.438 -6.431 1.00 32.22 O ATOM 1796 CB ALA A 120 8.035 -7.391 -7.484 1.00 12.35 C ATOM 0 H ALA A 120 9.149 -9.911 -8.006 1.00 51.45 H new ATOM 0 HA ALA A 120 9.385 -7.185 -9.131 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.173 -6.368 -7.135 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.159 -7.439 -8.131 1.00 12.35 H new ATOM 0 HB3 ALA A 120 7.890 -8.050 -6.628 1.00 12.35 H new ATOM 1802 N VAL A 121 11.378 -6.752 -7.756 1.00 53.02 N ATOM 1803 CA VAL A 121 12.611 -6.521 -7.013 1.00 21.22 C ATOM 1804 C VAL A 121 12.642 -5.117 -6.421 1.00 45.24 C ATOM 1805 O VAL A 121 12.264 -4.146 -7.077 1.00 55.42 O ATOM 1806 CB VAL A 121 13.850 -6.716 -7.908 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.124 -6.646 -7.080 1.00 73.31 C ATOM 1808 CG2 VAL A 121 13.763 -8.038 -8.657 1.00 33.42 C ATOM 0 H VAL A 121 11.245 -6.132 -8.555 1.00 53.02 H new ATOM 0 HA VAL A 121 12.635 -7.253 -6.206 1.00 21.22 H new ATOM 0 HB VAL A 121 13.877 -5.910 -8.641 1.00 74.22 H new ATOM 0 HG11 VAL A 121 15.988 -6.786 -7.729 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.189 -5.672 -6.594 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.109 -7.429 -6.322 1.00 73.31 H new ATOM 0 HG21 VAL A 121 14.646 -8.160 -9.284 1.00 33.42 H new ATOM 0 HG22 VAL A 121 13.710 -8.859 -7.942 1.00 33.42 H new ATOM 0 HG23 VAL A 121 12.870 -8.044 -9.282 1.00 33.42 H new ATOM 1818 N VAL A 122 13.095 -5.016 -5.175 1.00 24.04 N ATOM 1819 CA VAL A 122 13.176 -3.730 -4.494 1.00 52.24 C ATOM 1820 C VAL A 122 14.626 -3.288 -4.325 1.00 2.02 C ATOM 1821 O VAL A 122 15.515 -4.110 -4.100 1.00 64.54 O ATOM 1822 CB VAL A 122 12.503 -3.784 -3.109 1.00 41.24 C ATOM 1823 CG1 VAL A 122 12.428 -2.394 -2.497 1.00 71.54 C ATOM 1824 CG2 VAL A 122 11.118 -4.404 -3.215 1.00 53.13 C ATOM 0 H VAL A 122 13.411 -5.809 -4.617 1.00 24.04 H new ATOM 0 HA VAL A 122 12.649 -3.008 -5.118 1.00 52.24 H new ATOM 0 HB VAL A 122 13.108 -4.411 -2.454 1.00 41.24 H new ATOM 0 HG11 VAL A 122 11.950 -2.452 -1.519 1.00 71.54 H new ATOM 0 HG12 VAL A 122 13.435 -1.991 -2.385 1.00 71.54 H new ATOM 0 HG13 VAL A 122 11.846 -1.741 -3.147 1.00 71.54 H new ATOM 0 HG21 VAL A 122 10.657 -4.435 -2.228 1.00 53.13 H new ATOM 0 HG22 VAL A 122 10.502 -3.805 -3.885 1.00 53.13 H new ATOM 0 HG23 VAL A 122 11.202 -5.417 -3.608 1.00 53.13 H new ATOM 1834 N THR A 123 14.858 -1.984 -4.434 1.00 65.41 N ATOM 1835 CA THR A 123 16.200 -1.432 -4.294 1.00 45.23 C ATOM 1836 C THR A 123 16.316 -0.581 -3.035 1.00 73.22 C ATOM 1837 O THR A 123 15.346 0.041 -2.603 1.00 50.41 O ATOM 1838 CB THR A 123 16.586 -0.577 -5.515 1.00 11.34 C ATOM 1839 OG1 THR A 123 15.693 0.536 -5.636 1.00 23.43 O ATOM 1840 CG2 THR A 123 16.546 -1.405 -6.791 1.00 1.51 C ATOM 0 H THR A 123 14.134 -1.290 -4.619 1.00 65.41 H new ATOM 0 HA THR A 123 16.883 -2.278 -4.222 1.00 45.23 H new ATOM 0 HB THR A 123 17.603 -0.213 -5.368 1.00 11.34 H new ATOM 0 HG1 THR A 123 15.946 1.076 -6.414 1.00 23.43 H new ATOM 0 HG21 THR A 123 16.822 -0.779 -7.640 1.00 1.51 H new ATOM 0 HG22 THR A 123 17.248 -2.235 -6.708 1.00 1.51 H new ATOM 0 HG23 THR A 123 15.539 -1.795 -6.940 1.00 1.51 H new ATOM 1848 N ASN A 124 17.509 -0.557 -2.450 1.00 2.14 N ATOM 1849 CA ASN A 124 17.751 0.219 -1.239 1.00 14.35 C ATOM 1850 C ASN A 124 18.701 1.380 -1.518 1.00 21.24 C ATOM 1851 O ASN A 124 19.441 1.387 -2.502 1.00 34.35 O ATOM 1852 CB ASN A 124 18.332 -0.676 -0.142 1.00 43.11 C ATOM 1853 CG ASN A 124 19.235 -1.760 -0.698 1.00 33.41 C ATOM 1854 OD1 ASN A 124 18.890 -2.942 -0.678 1.00 65.11 O ATOM 1855 ND2 ASN A 124 20.399 -1.361 -1.197 1.00 53.22 N ATOM 0 H ASN A 124 18.323 -1.066 -2.795 1.00 2.14 H new ATOM 0 HA ASN A 124 16.797 0.625 -0.901 1.00 14.35 H new ATOM 0 HB2 ASN A 124 18.895 -0.064 0.562 1.00 43.11 H new ATOM 0 HB3 ASN A 124 17.517 -1.137 0.417 1.00 43.11 H new ATOM 0 HD21 ASN A 124 21.049 -2.045 -1.585 1.00 53.22 H new ATOM 0 HD22 ASN A 124 20.643 -0.371 -1.193 1.00 53.22 H new ATOM 1862 N PRO A 125 18.681 2.387 -0.632 1.00 1.24 N ATOM 1863 CA PRO A 125 19.534 3.572 -0.760 1.00 4.12 C ATOM 1864 C PRO A 125 21.006 3.255 -0.516 1.00 22.32 C ATOM 1865 O PRO A 125 21.399 2.898 0.595 1.00 40.34 O ATOM 1866 CB PRO A 125 19.002 4.512 0.324 1.00 23.43 C ATOM 1867 CG PRO A 125 18.381 3.610 1.335 1.00 21.31 C ATOM 1868 CD PRO A 125 17.824 2.445 0.564 1.00 10.43 C ATOM 0 HA PRO A 125 19.497 3.994 -1.764 1.00 4.12 H new ATOM 0 HB2 PRO A 125 19.804 5.105 0.762 1.00 23.43 H new ATOM 0 HB3 PRO A 125 18.273 5.213 -0.082 1.00 23.43 H new ATOM 0 HG2 PRO A 125 19.118 3.278 2.066 1.00 21.31 H new ATOM 0 HG3 PRO A 125 17.594 4.125 1.887 1.00 21.31 H new ATOM 0 HD2 PRO A 125 17.875 1.521 1.140 1.00 10.43 H new ATOM 0 HD3 PRO A 125 16.778 2.600 0.301 1.00 10.43 H new ATOM 1876 N LYS A 126 21.816 3.389 -1.560 1.00 1.50 N ATOM 1877 CA LYS A 126 23.246 3.119 -1.459 1.00 65.42 C ATOM 1878 C LYS A 126 24.059 4.374 -1.763 1.00 33.33 C ATOM 1879 O LYS A 126 25.286 4.326 -1.833 1.00 12.21 O ATOM 1880 CB LYS A 126 23.643 1.996 -2.420 1.00 4.33 C ATOM 1881 CG LYS A 126 22.833 1.980 -3.705 1.00 21.32 C ATOM 1882 CD LYS A 126 23.021 3.262 -4.499 1.00 73.25 C ATOM 1883 CE LYS A 126 24.453 3.406 -4.994 1.00 21.43 C ATOM 1884 NZ LYS A 126 25.051 4.708 -4.588 1.00 72.12 N1+ ATOM 0 H LYS A 126 21.507 3.683 -2.487 1.00 1.50 H new ATOM 0 HA LYS A 126 23.460 2.807 -0.437 1.00 65.42 H new ATOM 0 HB2 LYS A 126 24.700 2.098 -2.668 1.00 4.33 H new ATOM 0 HB3 LYS A 126 23.525 1.038 -1.914 1.00 4.33 H new ATOM 0 HG2 LYS A 126 23.132 1.127 -4.314 1.00 21.32 H new ATOM 0 HG3 LYS A 126 21.777 1.849 -3.469 1.00 21.32 H new ATOM 0 HD2 LYS A 126 22.339 3.268 -5.349 1.00 73.25 H new ATOM 0 HD3 LYS A 126 22.762 4.118 -3.876 1.00 73.25 H new ATOM 0 HE2 LYS A 126 25.058 2.590 -4.599 1.00 21.43 H new ATOM 0 HE3 LYS A 126 24.472 3.320 -6.080 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 25.810 4.964 -5.252 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 24.318 5.445 -4.599 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 25.444 4.625 -3.629 1.00 72.12 H new ATOM 1898 N GLU A 127 23.366 5.494 -1.940 1.00 63.52 N ATOM 1899 CA GLU A 127 24.025 6.761 -2.235 1.00 4.22 C ATOM 1900 C GLU A 127 24.526 7.424 -0.955 1.00 54.22 C ATOM 1901 O GLU A 127 24.333 8.622 -0.749 1.00 33.32 O ATOM 1902 CB GLU A 127 23.067 7.701 -2.969 1.00 12.12 C ATOM 1903 CG GLU A 127 22.372 7.057 -4.157 1.00 23.42 C ATOM 1904 CD GLU A 127 21.266 7.924 -4.726 1.00 72.31 C ATOM 1905 OE1 GLU A 127 20.779 8.817 -4.002 1.00 44.44 O1- ATOM 1906 OE2 GLU A 127 20.888 7.708 -5.897 1.00 54.12 O ATOM 0 H GLU A 127 22.349 5.550 -1.884 1.00 63.52 H new ATOM 0 HA GLU A 127 24.882 6.555 -2.876 1.00 4.22 H new ATOM 0 HB2 GLU A 127 22.313 8.058 -2.267 1.00 12.12 H new ATOM 0 HB3 GLU A 127 23.621 8.575 -3.313 1.00 12.12 H new ATOM 0 HG2 GLU A 127 23.106 6.854 -4.936 1.00 23.42 H new ATOM 0 HG3 GLU A 127 21.956 6.097 -3.853 1.00 23.42 H new TER 1913 GLU A 127