USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 941 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 85 SER OG : rot -155:sc= 0.398 USER MOD Set 1.2: A 114 TYR OH : rot 180:sc= -0.473 USER MOD Set 2.1: A 8 SER OG : rot -124:sc= 1.85 USER MOD Set 2.2: A 105 TYR OH : rot -38:sc= -0.341 USER MOD Set 2.3: A 106 THR OG1 : rot 30:sc= 0.743 USER MOD Set 3.1: A 31 HIS : no HE2:sc= -0.155 K(o=-0.15,f=-0.97) USER MOD Set 3.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0 (180deg=-0.362) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 44:sc= 1.09 USER MOD Single : A 9 LYS NZ :NH3+ -120:sc=0.000266 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.157 USER MOD Single : A 13 MET CE :methyl -129:sc= -1.03 (180deg=-4.03!) USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= -0.909 (180deg=-1.45!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0585 USER MOD Single : A 27 ASN : amide:sc= -3.36 K(o=-3.4,f=-3.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 106:sc= -0.169 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0922 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0472 X(o=-0.047,f=-0.47) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.363 USER MOD Single : A 70 LYS NZ :NH3+ -116:sc= 0.312 (180deg=-1.1) USER MOD Single : A 75 THR OG1 : rot -110:sc= 0.00063 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0483 USER MOD Single : A 78 TYR OH : rot 30:sc= -0.798 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 173:sc= -1.59 (180deg=-1.73) USER MOD Single : A 88 HIS : no HD1:sc= -0.0701 X(o=-0.07,f=-0.23) USER MOD Single : A 90 HIS : no HE2:sc= -1.25 K(o=-1.3,f=-4.2!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.18) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -123:sc= -1.38 (180deg=-8.54!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -110:sc= -0.0113 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 30:sc= 0.131 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.05 USER MOD Single : A 124 ASN : amide:sc= -0.0219 K(o=-0.022,f=-1.7!) USER MOD Single : A 126 LYS NZ :NH3+ 150:sc= -0.318 (180deg=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.976 -8.192 -13.459 1.00 61.14 N ATOM 2 CA GLY A 1 5.221 -6.879 -12.890 1.00 32.12 C ATOM 3 C GLY A 1 5.874 -6.952 -11.525 1.00 34.20 C ATOM 4 O GLY A 1 5.229 -6.765 -10.493 1.00 34.12 O ATOM 0 H1 GLY A 1 5.073 -8.146 -14.493 1.00 61.14 H new ATOM 0 H2 GLY A 1 5.665 -8.870 -13.076 1.00 61.14 H new ATOM 0 H3 GLY A 1 4.014 -8.502 -13.215 1.00 61.14 H new ATOM 0 HA2 GLY A 1 5.859 -6.307 -13.564 1.00 32.12 H new ATOM 0 HA3 GLY A 1 4.277 -6.339 -12.810 1.00 32.12 H new ATOM 8 N PRO A 2 7.186 -7.232 -11.506 1.00 40.13 N ATOM 9 CA PRO A 2 7.956 -7.337 -10.263 1.00 12.23 C ATOM 10 C PRO A 2 8.135 -5.987 -9.576 1.00 60.11 C ATOM 11 O PRO A 2 7.528 -4.992 -9.972 1.00 13.32 O ATOM 12 CB PRO A 2 9.308 -7.883 -10.728 1.00 65.30 C ATOM 13 CG PRO A 2 9.420 -7.456 -12.151 1.00 53.50 C ATOM 14 CD PRO A 2 8.019 -7.466 -12.697 1.00 2.22 C ATOM 0 HA PRO A 2 7.457 -7.967 -9.527 1.00 12.23 H new ATOM 0 HB2 PRO A 2 10.125 -7.481 -10.129 1.00 65.30 H new ATOM 0 HB3 PRO A 2 9.349 -8.968 -10.636 1.00 65.30 H new ATOM 0 HG2 PRO A 2 9.861 -6.462 -12.227 1.00 53.50 H new ATOM 0 HG3 PRO A 2 10.063 -8.134 -12.713 1.00 53.50 H new ATOM 0 HD2 PRO A 2 7.875 -6.688 -13.447 1.00 2.22 H new ATOM 0 HD3 PRO A 2 7.780 -8.417 -13.174 1.00 2.22 H new ATOM 22 N THR A 3 8.971 -5.960 -8.543 1.00 14.22 N ATOM 23 CA THR A 3 9.230 -4.733 -7.801 1.00 30.12 C ATOM 24 C THR A 3 9.637 -3.599 -8.735 1.00 52.42 C ATOM 25 O THR A 3 10.120 -3.837 -9.842 1.00 64.13 O ATOM 26 CB THR A 3 10.333 -4.936 -6.746 1.00 60.14 C ATOM 27 OG1 THR A 3 11.597 -5.128 -7.391 1.00 65.23 O ATOM 28 CG2 THR A 3 10.023 -6.133 -5.860 1.00 54.24 C ATOM 0 H THR A 3 9.481 -6.775 -8.201 1.00 14.22 H new ATOM 0 HA THR A 3 8.301 -4.468 -7.297 1.00 30.12 H new ATOM 0 HB THR A 3 10.375 -4.044 -6.121 1.00 60.14 H new ATOM 0 HG1 THR A 3 12.294 -5.255 -6.714 1.00 65.23 H new ATOM 0 HG21 THR A 3 10.817 -6.255 -5.123 1.00 54.24 H new ATOM 0 HG22 THR A 3 9.074 -5.971 -5.348 1.00 54.24 H new ATOM 0 HG23 THR A 3 9.955 -7.032 -6.473 1.00 54.24 H new ATOM 36 N GLY A 4 9.442 -2.365 -8.282 1.00 41.43 N ATOM 37 CA GLY A 4 9.795 -1.213 -9.091 1.00 44.14 C ATOM 38 C GLY A 4 10.447 -0.111 -8.278 1.00 45.21 C ATOM 39 O GLY A 4 10.772 -0.303 -7.106 1.00 55.11 O ATOM 0 H GLY A 4 9.046 -2.142 -7.369 1.00 41.43 H new ATOM 0 HA2 GLY A 4 10.474 -1.525 -9.885 1.00 44.14 H new ATOM 0 HA3 GLY A 4 8.899 -0.823 -9.573 1.00 44.14 H new ATOM 43 N THR A 5 10.641 1.046 -8.902 1.00 31.41 N ATOM 44 CA THR A 5 11.260 2.182 -8.230 1.00 22.34 C ATOM 45 C THR A 5 10.207 3.145 -7.696 1.00 31.32 C ATOM 46 O THR A 5 9.738 4.027 -8.414 1.00 14.22 O ATOM 47 CB THR A 5 12.207 2.945 -9.175 1.00 73.45 C ATOM 48 OG1 THR A 5 11.474 3.462 -10.292 1.00 5.02 O ATOM 49 CG2 THR A 5 13.323 2.038 -9.672 1.00 64.33 C ATOM 0 H THR A 5 10.378 1.221 -9.872 1.00 31.41 H new ATOM 0 HA THR A 5 11.837 1.781 -7.396 1.00 22.34 H new ATOM 0 HB THR A 5 12.651 3.770 -8.618 1.00 73.45 H new ATOM 0 HG1 THR A 5 10.634 3.856 -9.978 1.00 5.02 H new ATOM 0 HG21 THR A 5 13.979 2.599 -10.338 1.00 64.33 H new ATOM 0 HG22 THR A 5 13.898 1.669 -8.822 1.00 64.33 H new ATOM 0 HG23 THR A 5 12.893 1.195 -10.213 1.00 64.33 H new ATOM 57 N GLY A 6 9.842 2.973 -6.430 1.00 71.40 N ATOM 58 CA GLY A 6 8.846 3.836 -5.820 1.00 40.22 C ATOM 59 C GLY A 6 8.208 3.211 -4.597 1.00 10.15 C ATOM 60 O GLY A 6 6.989 3.255 -4.434 1.00 53.20 O ATOM 0 H GLY A 6 10.218 2.251 -5.815 1.00 71.40 H new ATOM 0 HA2 GLY A 6 9.311 4.781 -5.540 1.00 40.22 H new ATOM 0 HA3 GLY A 6 8.072 4.066 -6.552 1.00 40.22 H new ATOM 64 N GLU A 7 9.033 2.626 -3.733 1.00 40.40 N ATOM 65 CA GLU A 7 8.540 1.988 -2.519 1.00 12.15 C ATOM 66 C GLU A 7 8.832 2.848 -1.293 1.00 51.21 C ATOM 67 O GLU A 7 8.543 2.457 -0.163 1.00 21.41 O ATOM 68 CB GLU A 7 9.175 0.606 -2.349 1.00 43.22 C ATOM 69 CG GLU A 7 8.427 -0.294 -1.381 1.00 35.11 C ATOM 70 CD GLU A 7 7.464 -1.233 -2.081 1.00 70.21 C ATOM 71 OE1 GLU A 7 7.011 -0.895 -3.195 1.00 72.12 O1- ATOM 72 OE2 GLU A 7 7.164 -2.305 -1.517 1.00 64.44 O ATOM 0 H GLU A 7 10.045 2.581 -3.852 1.00 40.40 H new ATOM 0 HA GLU A 7 7.460 1.875 -2.612 1.00 12.15 H new ATOM 0 HB2 GLU A 7 9.225 0.117 -3.322 1.00 43.22 H new ATOM 0 HB3 GLU A 7 10.200 0.727 -2.000 1.00 43.22 H new ATOM 0 HG2 GLU A 7 9.145 -0.879 -0.806 1.00 35.11 H new ATOM 0 HG3 GLU A 7 7.876 0.322 -0.670 1.00 35.11 H new ATOM 79 N SER A 8 9.409 4.023 -1.527 1.00 30.32 N ATOM 80 CA SER A 8 9.745 4.939 -0.443 1.00 50.54 C ATOM 81 C SER A 8 9.100 6.303 -0.665 1.00 74.54 C ATOM 82 O SER A 8 8.314 6.489 -1.595 1.00 32.03 O ATOM 83 CB SER A 8 11.262 5.092 -0.329 1.00 2.22 C ATOM 84 OG SER A 8 11.924 3.884 -0.667 1.00 41.42 O ATOM 0 H SER A 8 9.653 4.363 -2.457 1.00 30.32 H new ATOM 0 HA SER A 8 9.358 4.521 0.486 1.00 50.54 H new ATOM 0 HB2 SER A 8 11.600 5.892 -0.987 1.00 2.22 H new ATOM 0 HB3 SER A 8 11.526 5.383 0.688 1.00 2.22 H new ATOM 0 HG SER A 8 12.499 3.607 0.077 1.00 41.42 H new ATOM 90 N LYS A 9 9.439 7.257 0.196 1.00 25.14 N ATOM 91 CA LYS A 9 8.895 8.607 0.095 1.00 4.14 C ATOM 92 C LYS A 9 10.014 9.638 -0.005 1.00 50.55 C ATOM 93 O LYS A 9 9.888 10.638 -0.711 1.00 2.11 O ATOM 94 CB LYS A 9 8.010 8.914 1.306 1.00 2.34 C ATOM 95 CG LYS A 9 8.616 8.475 2.629 1.00 10.32 C ATOM 96 CD LYS A 9 7.984 7.186 3.130 1.00 40.34 C ATOM 97 CE LYS A 9 9.028 6.102 3.345 1.00 14.34 C ATOM 98 NZ LYS A 9 8.421 4.841 3.855 1.00 60.34 N1+ ATOM 0 H LYS A 9 10.088 7.121 0.971 1.00 25.14 H new ATOM 0 HA LYS A 9 8.292 8.662 -0.811 1.00 4.14 H new ATOM 0 HB2 LYS A 9 7.817 9.986 1.342 1.00 2.34 H new ATOM 0 HB3 LYS A 9 7.047 8.421 1.176 1.00 2.34 H new ATOM 0 HG2 LYS A 9 9.690 8.332 2.509 1.00 10.32 H new ATOM 0 HG3 LYS A 9 8.480 9.261 3.372 1.00 10.32 H new ATOM 0 HD2 LYS A 9 7.458 7.377 4.065 1.00 40.34 H new ATOM 0 HD3 LYS A 9 7.241 6.840 2.411 1.00 40.34 H new ATOM 0 HE2 LYS A 9 9.544 5.903 2.406 1.00 14.34 H new ATOM 0 HE3 LYS A 9 9.779 6.456 4.052 1.00 14.34 H new ATOM 0 HZ1 LYS A 9 8.836 4.605 4.779 1.00 60.34 H new ATOM 0 HZ2 LYS A 9 7.394 4.967 3.959 1.00 60.34 H new ATOM 0 HZ3 LYS A 9 8.609 4.069 3.184 1.00 60.34 H new ATOM 112 N CYS A 10 11.108 9.388 0.706 1.00 54.34 N ATOM 113 CA CYS A 10 12.250 10.294 0.696 1.00 63.03 C ATOM 114 C CYS A 10 13.239 9.912 -0.400 1.00 10.52 C ATOM 115 O CYS A 10 13.244 8.788 -0.902 1.00 12.21 O ATOM 116 CB CYS A 10 12.950 10.281 2.056 1.00 2.32 C ATOM 117 SG CYS A 10 12.535 11.688 3.114 1.00 4.01 S ATOM 0 H CYS A 10 11.228 8.565 1.297 1.00 54.34 H new ATOM 0 HA CYS A 10 11.881 11.300 0.494 1.00 63.03 H new ATOM 0 HB2 CYS A 10 12.691 9.359 2.577 1.00 2.32 H new ATOM 0 HB3 CYS A 10 14.028 10.265 1.897 1.00 2.32 H new ATOM 0 HG CYS A 10 13.174 11.586 4.242 1.00 4.01 H new ATOM 123 N PRO A 11 14.096 10.871 -0.785 1.00 53.44 N ATOM 124 CA PRO A 11 15.104 10.658 -1.828 1.00 54.45 C ATOM 125 C PRO A 11 16.212 9.711 -1.380 1.00 45.03 C ATOM 126 O PRO A 11 16.851 9.054 -2.202 1.00 23.34 O ATOM 127 CB PRO A 11 15.665 12.062 -2.069 1.00 72.55 C ATOM 128 CG PRO A 11 15.426 12.790 -0.791 1.00 3.34 C ATOM 129 CD PRO A 11 14.147 12.233 -0.231 1.00 61.21 C ATOM 0 HA PRO A 11 14.678 10.195 -2.718 1.00 54.45 H new ATOM 0 HB2 PRO A 11 16.727 12.028 -2.312 1.00 72.55 H new ATOM 0 HB3 PRO A 11 15.162 12.551 -2.903 1.00 72.55 H new ATOM 0 HG2 PRO A 11 16.253 12.642 -0.097 1.00 3.34 H new ATOM 0 HG3 PRO A 11 15.342 13.863 -0.963 1.00 3.34 H new ATOM 0 HD2 PRO A 11 14.156 12.223 0.859 1.00 61.21 H new ATOM 0 HD3 PRO A 11 13.284 12.824 -0.537 1.00 61.21 H new ATOM 137 N LEU A 12 16.433 9.644 -0.072 1.00 63.12 N ATOM 138 CA LEU A 12 17.463 8.775 0.486 1.00 52.33 C ATOM 139 C LEU A 12 16.978 8.109 1.769 1.00 2.43 C ATOM 140 O LEU A 12 16.628 8.785 2.737 1.00 13.02 O ATOM 141 CB LEU A 12 18.738 9.575 0.763 1.00 40.22 C ATOM 142 CG LEU A 12 20.001 8.755 1.025 1.00 11.33 C ATOM 143 CD1 LEU A 12 19.944 8.111 2.401 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.184 7.698 -0.054 1.00 15.23 C ATOM 0 H LEU A 12 15.913 10.181 0.622 1.00 63.12 H new ATOM 0 HA LEU A 12 17.681 7.996 -0.245 1.00 52.33 H new ATOM 0 HB2 LEU A 12 18.924 10.230 -0.088 1.00 40.22 H new ATOM 0 HB3 LEU A 12 18.560 10.217 1.626 1.00 40.22 H new ATOM 0 HG LEU A 12 20.859 9.426 0.997 1.00 11.33 H new ATOM 0 HD11 LEU A 12 20.852 7.531 2.569 1.00 73.42 H new ATOM 0 HD12 LEU A 12 19.862 8.887 3.163 1.00 73.42 H new ATOM 0 HD13 LEU A 12 19.077 7.453 2.459 1.00 73.42 H new ATOM 0 HD21 LEU A 12 21.088 7.124 0.149 1.00 15.23 H new ATOM 0 HD22 LEU A 12 19.323 7.030 -0.058 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.272 8.182 -1.027 1.00 15.23 H new ATOM 156 N MET A 13 16.962 6.780 1.772 1.00 61.20 N ATOM 157 CA MET A 13 16.523 6.023 2.937 1.00 22.34 C ATOM 158 C MET A 13 17.420 4.811 3.168 1.00 2.51 C ATOM 159 O MET A 13 17.959 4.237 2.222 1.00 53.15 O ATOM 160 CB MET A 13 15.071 5.573 2.763 1.00 74.34 C ATOM 161 CG MET A 13 14.867 4.622 1.595 1.00 62.10 C ATOM 162 SD MET A 13 13.579 3.400 1.912 1.00 31.34 S ATOM 163 CE MET A 13 14.351 2.419 3.197 1.00 60.31 C ATOM 0 H MET A 13 17.248 6.205 0.979 1.00 61.20 H new ATOM 0 HA MET A 13 16.591 6.674 3.809 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.737 5.087 3.680 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.441 6.451 2.621 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.607 5.196 0.705 1.00 62.10 H new ATOM 0 HG3 MET A 13 15.805 4.109 1.381 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.301 1.364 2.929 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.394 2.717 3.305 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.829 2.579 4.140 1.00 60.31 H new ATOM 173 N VAL A 14 17.575 4.428 4.431 1.00 21.22 N ATOM 174 CA VAL A 14 18.407 3.283 4.786 1.00 2.34 C ATOM 175 C VAL A 14 17.555 2.050 5.066 1.00 34.21 C ATOM 176 O VAL A 14 16.516 2.136 5.722 1.00 35.53 O ATOM 177 CB VAL A 14 19.278 3.583 6.020 1.00 44.00 C ATOM 178 CG1 VAL A 14 20.087 2.356 6.413 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.191 4.770 5.751 1.00 44.55 C ATOM 0 H VAL A 14 17.136 4.893 5.226 1.00 21.22 H new ATOM 0 HA VAL A 14 19.055 3.086 3.932 1.00 2.34 H new ATOM 0 HB VAL A 14 18.623 3.839 6.853 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.696 2.587 7.287 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.411 1.534 6.649 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.734 2.067 5.585 1.00 51.25 H new ATOM 0 HG21 VAL A 14 20.799 4.968 6.633 1.00 44.55 H new ATOM 0 HG22 VAL A 14 20.841 4.545 4.905 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.588 5.648 5.521 1.00 44.55 H new ATOM 189 N LYS A 15 18.000 0.903 4.565 1.00 20.03 N ATOM 190 CA LYS A 15 17.280 -0.349 4.762 1.00 34.30 C ATOM 191 C LYS A 15 18.208 -1.430 5.305 1.00 62.02 C ATOM 192 O LYS A 15 19.082 -1.927 4.594 1.00 61.44 O ATOM 193 CB LYS A 15 16.654 -0.814 3.445 1.00 53.00 C ATOM 194 CG LYS A 15 16.044 -2.203 3.518 1.00 15.14 C ATOM 195 CD LYS A 15 14.861 -2.245 4.470 1.00 41.01 C ATOM 196 CE LYS A 15 15.250 -2.832 5.818 1.00 63.11 C ATOM 197 NZ LYS A 15 14.164 -3.675 6.390 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.857 0.815 4.019 1.00 20.03 H new ATOM 0 HA LYS A 15 16.489 -0.174 5.491 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.883 -0.103 3.148 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.416 -0.802 2.666 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.723 -2.513 2.524 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.800 -2.916 3.845 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.470 -1.237 4.610 1.00 41.01 H new ATOM 0 HD3 LYS A 15 14.060 -2.840 4.031 1.00 41.01 H new ATOM 0 HE2 LYS A 15 16.154 -3.431 5.706 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.486 -2.025 6.511 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.325 -3.804 7.409 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.247 -3.208 6.241 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 14.160 -4.603 5.920 1.00 53.54 H new ATOM 211 N VAL A 16 18.012 -1.794 6.569 1.00 25.51 N ATOM 212 CA VAL A 16 18.829 -2.818 7.206 1.00 72.30 C ATOM 213 C VAL A 16 17.966 -3.954 7.743 1.00 42.30 C ATOM 214 O VAL A 16 17.103 -3.743 8.597 1.00 53.32 O ATOM 215 CB VAL A 16 19.664 -2.232 8.360 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.488 -3.322 9.030 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.558 -1.111 7.855 1.00 21.20 C ATOM 0 H VAL A 16 17.293 -1.394 7.172 1.00 25.51 H new ATOM 0 HA VAL A 16 19.502 -3.207 6.442 1.00 72.30 H new ATOM 0 HB VAL A 16 18.983 -1.816 9.103 1.00 4.53 H new ATOM 0 HG11 VAL A 16 21.071 -2.889 9.843 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.823 -4.088 9.429 1.00 11.20 H new ATOM 0 HG13 VAL A 16 21.161 -3.771 8.299 1.00 11.20 H new ATOM 0 HG21 VAL A 16 21.141 -0.709 8.684 1.00 21.20 H new ATOM 0 HG22 VAL A 16 21.233 -1.499 7.092 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.943 -0.320 7.427 1.00 21.20 H new ATOM 227 N LEU A 17 18.205 -5.161 7.239 1.00 45.53 N ATOM 228 CA LEU A 17 17.450 -6.332 7.669 1.00 34.25 C ATOM 229 C LEU A 17 18.366 -7.542 7.828 1.00 35.30 C ATOM 230 O LEU A 17 19.371 -7.668 7.128 1.00 14.24 O ATOM 231 CB LEU A 17 16.342 -6.646 6.662 1.00 4.15 C ATOM 232 CG LEU A 17 16.764 -7.436 5.423 1.00 21.13 C ATOM 233 CD1 LEU A 17 16.262 -8.869 5.507 1.00 54.51 C ATOM 234 CD2 LEU A 17 16.248 -6.762 4.160 1.00 44.01 C ATOM 0 H LEU A 17 18.915 -5.353 6.533 1.00 45.53 H new ATOM 0 HA LEU A 17 17.001 -6.110 8.637 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.560 -7.205 7.176 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.899 -5.705 6.335 1.00 4.15 H new ATOM 0 HG LEU A 17 17.853 -7.456 5.382 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.572 -9.416 4.617 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.680 -9.350 6.392 1.00 54.51 H new ATOM 0 HD13 LEU A 17 15.174 -8.870 5.573 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.558 -7.338 3.288 1.00 44.01 H new ATOM 0 HD22 LEU A 17 15.160 -6.711 4.193 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.657 -5.754 4.093 1.00 44.01 H new ATOM 246 N ASP A 18 18.010 -8.429 8.750 1.00 35.22 N ATOM 247 CA ASP A 18 18.798 -9.631 8.998 1.00 62.01 C ATOM 248 C ASP A 18 18.556 -10.674 7.911 1.00 31.11 C ATOM 249 O ASP A 18 17.415 -11.055 7.646 1.00 73.51 O ATOM 250 CB ASP A 18 18.456 -10.217 10.369 1.00 12.00 C ATOM 251 CG ASP A 18 19.387 -9.720 11.459 1.00 12.43 C ATOM 252 OD1 ASP A 18 19.950 -8.617 11.301 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 19.551 -10.434 12.469 1.00 41.53 O ATOM 0 H ASP A 18 17.181 -8.339 9.338 1.00 35.22 H new ATOM 0 HA ASP A 18 19.852 -9.354 8.982 1.00 62.01 H new ATOM 0 HB2 ASP A 18 17.429 -9.958 10.626 1.00 12.00 H new ATOM 0 HB3 ASP A 18 18.507 -11.305 10.319 1.00 12.00 H new ATOM 258 N ALA A 19 19.635 -11.132 7.285 1.00 34.14 N ATOM 259 CA ALA A 19 19.539 -12.131 6.229 1.00 74.24 C ATOM 260 C ALA A 19 19.392 -13.532 6.810 1.00 42.11 C ATOM 261 O ALA A 19 19.292 -14.515 6.074 1.00 25.21 O ATOM 262 CB ALA A 19 20.759 -12.058 5.322 1.00 45.22 C ATOM 0 H ALA A 19 20.586 -10.827 7.491 1.00 34.14 H new ATOM 0 HA ALA A 19 18.648 -11.916 5.639 1.00 74.24 H new ATOM 0 HB1 ALA A 19 20.675 -12.810 4.537 1.00 45.22 H new ATOM 0 HB2 ALA A 19 20.818 -11.068 4.871 1.00 45.22 H new ATOM 0 HB3 ALA A 19 21.659 -12.244 5.907 1.00 45.22 H new ATOM 268 N VAL A 20 19.380 -13.620 8.137 1.00 34.04 N ATOM 269 CA VAL A 20 19.246 -14.902 8.817 1.00 21.35 C ATOM 270 C VAL A 20 17.779 -15.288 8.978 1.00 44.04 C ATOM 271 O VAL A 20 17.413 -16.453 8.826 1.00 43.12 O ATOM 272 CB VAL A 20 19.912 -14.874 10.206 1.00 5.35 C ATOM 273 CG1 VAL A 20 19.843 -16.245 10.860 1.00 34.41 C ATOM 274 CG2 VAL A 20 21.353 -14.399 10.095 1.00 3.13 C ATOM 0 H VAL A 20 19.462 -12.818 8.762 1.00 34.04 H new ATOM 0 HA VAL A 20 19.749 -15.643 8.196 1.00 21.35 H new ATOM 0 HB VAL A 20 19.368 -14.170 10.836 1.00 5.35 H new ATOM 0 HG11 VAL A 20 20.319 -16.205 11.840 1.00 34.41 H new ATOM 0 HG12 VAL A 20 18.800 -16.541 10.974 1.00 34.41 H new ATOM 0 HG13 VAL A 20 20.361 -16.973 10.235 1.00 34.41 H new ATOM 0 HG21 VAL A 20 21.809 -14.385 11.085 1.00 3.13 H new ATOM 0 HG22 VAL A 20 21.911 -15.076 9.448 1.00 3.13 H new ATOM 0 HG23 VAL A 20 21.373 -13.395 9.672 1.00 3.13 H new ATOM 284 N ARG A 21 16.943 -14.301 9.285 1.00 13.31 N ATOM 285 CA ARG A 21 15.516 -14.537 9.466 1.00 41.52 C ATOM 286 C ARG A 21 14.706 -13.824 8.387 1.00 40.44 C ATOM 287 O ARG A 21 13.586 -14.222 8.072 1.00 1.41 O ATOM 288 CB ARG A 21 15.072 -14.062 10.851 1.00 42.31 C ATOM 289 CG ARG A 21 16.044 -14.426 11.961 1.00 55.31 C ATOM 290 CD ARG A 21 17.035 -13.303 12.224 1.00 11.13 C ATOM 291 NE ARG A 21 17.845 -13.555 13.412 1.00 51.30 N ATOM 292 CZ ARG A 21 17.383 -13.448 14.653 1.00 13.52 C ATOM 293 NH1 ARG A 21 16.122 -13.096 14.866 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 18.182 -13.694 15.684 1.00 1.52 N ATOM 0 H ARG A 21 17.230 -13.331 9.413 1.00 13.31 H new ATOM 0 HA ARG A 21 15.336 -15.609 9.382 1.00 41.52 H new ATOM 0 HB2 ARG A 21 14.946 -12.980 10.831 1.00 42.31 H new ATOM 0 HB3 ARG A 21 14.097 -14.493 11.078 1.00 42.31 H new ATOM 0 HG2 ARG A 21 15.490 -14.645 12.874 1.00 55.31 H new ATOM 0 HG3 ARG A 21 16.584 -15.333 11.690 1.00 55.31 H new ATOM 0 HD2 ARG A 21 17.687 -13.185 11.359 1.00 11.13 H new ATOM 0 HD3 ARG A 21 16.495 -12.364 12.346 1.00 11.13 H new ATOM 0 HE ARG A 21 18.819 -13.828 13.282 1.00 51.30 H new ATOM 0 HH11 ARG A 21 15.505 -12.907 14.076 1.00 72.23 H new ATOM 0 HH12 ARG A 21 15.769 -13.014 15.820 1.00 72.23 H new ATOM 0 HH21 ARG A 21 19.152 -13.966 15.524 1.00 1.52 H new ATOM 0 HH22 ARG A 21 17.826 -13.611 16.636 1.00 1.52 H new ATOM 308 N GLY A 22 15.281 -12.765 7.825 1.00 74.32 N ATOM 309 CA GLY A 22 14.598 -12.012 6.789 1.00 71.21 C ATOM 310 C GLY A 22 13.824 -10.832 7.344 1.00 53.11 C ATOM 311 O GLY A 22 13.129 -10.135 6.605 1.00 34.42 O ATOM 0 H GLY A 22 16.208 -12.415 8.069 1.00 74.32 H new ATOM 0 HA2 GLY A 22 15.328 -11.654 6.063 1.00 71.21 H new ATOM 0 HA3 GLY A 22 13.914 -12.672 6.255 1.00 71.21 H new ATOM 315 N SER A 23 13.944 -10.609 8.648 1.00 51.51 N ATOM 316 CA SER A 23 13.245 -9.509 9.303 1.00 3.34 C ATOM 317 C SER A 23 14.154 -8.290 9.434 1.00 32.43 C ATOM 318 O SER A 23 15.376 -8.383 9.334 1.00 43.34 O ATOM 319 CB SER A 23 12.750 -9.942 10.684 1.00 71.44 C ATOM 320 OG SER A 23 13.203 -11.245 11.003 1.00 35.11 O ATOM 0 H SER A 23 14.519 -11.175 9.272 1.00 51.51 H new ATOM 0 HA SER A 23 12.388 -9.237 8.687 1.00 3.34 H new ATOM 0 HB2 SER A 23 13.102 -9.237 11.437 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.661 -9.917 10.708 1.00 71.44 H new ATOM 0 HG SER A 23 12.874 -11.497 11.891 1.00 35.11 H new ATOM 326 N PRO A 24 13.541 -7.119 9.662 1.00 34.11 N ATOM 327 CA PRO A 24 14.274 -5.859 9.812 1.00 75.01 C ATOM 328 C PRO A 24 15.075 -5.805 11.109 1.00 32.44 C ATOM 329 O PRO A 24 14.728 -6.459 12.091 1.00 65.23 O ATOM 330 CB PRO A 24 13.166 -4.802 9.824 1.00 55.43 C ATOM 331 CG PRO A 24 11.957 -5.528 10.307 1.00 2.33 C ATOM 332 CD PRO A 24 12.085 -6.935 9.793 1.00 25.13 C ATOM 0 HA PRO A 24 15.008 -5.718 9.018 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.418 -3.971 10.483 1.00 55.43 H new ATOM 0 HB3 PRO A 24 13.006 -4.384 8.830 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.902 -5.514 11.396 1.00 2.33 H new ATOM 0 HG3 PRO A 24 11.046 -5.059 9.936 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.649 -7.657 10.484 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.576 -7.062 8.837 1.00 25.13 H new ATOM 340 N ALA A 25 16.149 -5.021 11.103 1.00 41.01 N ATOM 341 CA ALA A 25 16.998 -4.880 12.279 1.00 63.44 C ATOM 342 C ALA A 25 16.669 -3.602 13.043 1.00 30.11 C ATOM 343 O ALA A 25 16.474 -2.544 12.445 1.00 75.14 O ATOM 344 CB ALA A 25 18.465 -4.895 11.876 1.00 64.11 C ATOM 0 H ALA A 25 16.451 -4.474 10.297 1.00 41.01 H new ATOM 0 HA ALA A 25 16.806 -5.726 12.939 1.00 63.44 H new ATOM 0 HB1 ALA A 25 19.087 -4.789 12.764 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.697 -5.838 11.381 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.663 -4.069 11.193 1.00 64.11 H new ATOM 350 N ILE A 26 16.609 -3.708 14.366 1.00 43.00 N ATOM 351 CA ILE A 26 16.304 -2.560 15.212 1.00 13.15 C ATOM 352 C ILE A 26 17.555 -2.050 15.918 1.00 11.44 C ATOM 353 O ILE A 26 18.380 -2.834 16.385 1.00 75.40 O ATOM 354 CB ILE A 26 15.237 -2.905 16.267 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.838 -2.611 15.723 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.488 -2.125 17.548 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.407 -1.173 15.910 1.00 11.12 C ATOM 0 H ILE A 26 16.768 -4.577 14.876 1.00 43.00 H new ATOM 0 HA ILE A 26 15.916 -1.780 14.557 1.00 13.15 H new ATOM 0 HB ILE A 26 15.302 -3.969 16.494 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.811 -2.855 14.661 1.00 52.34 H new ATOM 0 HG13 ILE A 26 13.120 -3.264 16.218 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.726 -2.380 18.284 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.472 -2.379 17.942 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.447 -1.056 17.337 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.406 -1.037 15.501 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.401 -0.930 16.973 1.00 11.12 H new ATOM 0 HD13 ILE A 26 14.103 -0.514 15.391 1.00 11.12 H new ATOM 369 N ASN A 27 17.690 -0.730 15.992 1.00 72.15 N ATOM 370 CA ASN A 27 18.841 -0.114 16.644 1.00 74.24 C ATOM 371 C ASN A 27 20.133 -0.474 15.918 1.00 65.44 C ATOM 372 O ASN A 27 21.049 -1.051 16.506 1.00 74.45 O ATOM 373 CB ASN A 27 18.923 -0.557 18.106 1.00 42.11 C ATOM 374 CG ASN A 27 17.616 -0.350 18.847 1.00 53.35 C ATOM 375 OD1 ASN A 27 17.214 -1.179 19.663 1.00 33.42 O ATOM 376 ND2 ASN A 27 16.947 0.763 18.567 1.00 65.05 N ATOM 0 H ASN A 27 17.017 -0.066 15.609 1.00 72.15 H new ATOM 0 HA ASN A 27 18.713 0.968 16.607 1.00 74.24 H new ATOM 0 HB2 ASN A 27 19.199 -1.611 18.149 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.714 0.000 18.608 1.00 42.11 H new ATOM 0 HD21 ASN A 27 16.062 0.958 19.036 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.318 1.423 17.883 1.00 65.05 H new ATOM 383 N VAL A 28 20.202 -0.130 14.636 1.00 63.23 N ATOM 384 CA VAL A 28 21.382 -0.415 13.830 1.00 64.00 C ATOM 385 C VAL A 28 22.117 0.869 13.459 1.00 62.33 C ATOM 386 O VAL A 28 21.625 1.672 12.669 1.00 75.42 O ATOM 387 CB VAL A 28 21.012 -1.172 12.540 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.256 -1.457 11.713 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.276 -2.461 12.873 1.00 70.12 C ATOM 0 H VAL A 28 19.454 0.347 14.133 1.00 63.23 H new ATOM 0 HA VAL A 28 22.035 -1.043 14.436 1.00 64.00 H new ATOM 0 HB VAL A 28 20.348 -0.543 11.947 1.00 51.21 H new ATOM 0 HG11 VAL A 28 21.975 -1.992 10.806 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.738 -0.517 11.445 1.00 23.21 H new ATOM 0 HG13 VAL A 28 22.948 -2.067 12.294 1.00 23.21 H new ATOM 0 HG21 VAL A 28 20.022 -2.984 11.951 1.00 70.12 H new ATOM 0 HG22 VAL A 28 20.915 -3.097 13.486 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.363 -2.228 13.421 1.00 70.12 H new ATOM 399 N ALA A 29 23.300 1.053 14.035 1.00 51.31 N ATOM 400 CA ALA A 29 24.106 2.238 13.764 1.00 14.44 C ATOM 401 C ALA A 29 24.376 2.387 12.271 1.00 34.01 C ATOM 402 O ALA A 29 24.821 1.447 11.613 1.00 1.50 O ATOM 403 CB ALA A 29 25.415 2.174 14.535 1.00 51.41 C ATOM 0 H ALA A 29 23.722 0.397 14.692 1.00 51.31 H new ATOM 0 HA ALA A 29 23.545 3.112 14.095 1.00 14.44 H new ATOM 0 HB1 ALA A 29 26.006 3.065 14.323 1.00 51.41 H new ATOM 0 HB2 ALA A 29 25.206 2.123 15.604 1.00 51.41 H new ATOM 0 HB3 ALA A 29 25.973 1.288 14.232 1.00 51.41 H new ATOM 409 N VAL A 30 24.102 3.575 11.741 1.00 53.05 N ATOM 410 CA VAL A 30 24.316 3.848 10.325 1.00 30.12 C ATOM 411 C VAL A 30 24.924 5.231 10.117 1.00 13.12 C ATOM 412 O VAL A 30 24.458 6.218 10.686 1.00 14.35 O ATOM 413 CB VAL A 30 23.001 3.754 9.529 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.270 3.859 8.036 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.271 2.460 9.859 1.00 21.10 C ATOM 0 H VAL A 30 23.731 4.364 12.271 1.00 53.05 H new ATOM 0 HA VAL A 30 25.009 3.090 9.959 1.00 30.12 H new ATOM 0 HB VAL A 30 22.362 4.589 9.817 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.329 3.790 7.491 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.746 4.815 7.818 1.00 20.24 H new ATOM 0 HG13 VAL A 30 23.928 3.047 7.727 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.344 2.409 9.288 1.00 21.10 H new ATOM 0 HG22 VAL A 30 22.903 1.610 9.601 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.043 2.433 10.924 1.00 21.10 H new ATOM 425 N HIS A 31 25.970 5.294 9.298 1.00 64.03 N ATOM 426 CA HIS A 31 26.642 6.558 9.014 1.00 64.42 C ATOM 427 C HIS A 31 26.713 6.809 7.510 1.00 32.44 C ATOM 428 O HIS A 31 27.282 6.013 6.763 1.00 61.22 O ATOM 429 CB HIS A 31 28.051 6.555 9.608 1.00 31.03 C ATOM 430 CG HIS A 31 28.106 6.041 11.014 1.00 51.53 C ATOM 431 ND1 HIS A 31 27.173 6.375 11.974 1.00 72.45 N ATOM 432 CD2 HIS A 31 28.988 5.213 11.620 1.00 62.03 C ATOM 433 CE1 HIS A 31 27.481 5.774 13.110 1.00 20.24 C ATOM 434 NE2 HIS A 31 28.578 5.062 12.922 1.00 41.10 N ATOM 0 H HIS A 31 26.370 4.486 8.820 1.00 64.03 H new ATOM 0 HA HIS A 31 26.064 7.360 9.472 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.700 5.944 8.981 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.449 7.570 9.585 1.00 31.03 H new ATOM 0 HD1 HIS A 31 26.372 6.989 11.830 1.00 72.45 H new ATOM 0 HD2 HIS A 31 29.854 4.756 11.164 1.00 62.03 H new ATOM 0 HE1 HIS A 31 26.929 5.852 14.035 1.00 20.24 H new ATOM 442 N VAL A 32 26.129 7.921 7.073 1.00 24.00 N ATOM 443 CA VAL A 32 26.127 8.278 5.659 1.00 4.03 C ATOM 444 C VAL A 32 27.158 9.360 5.363 1.00 11.32 C ATOM 445 O VAL A 32 27.293 10.327 6.113 1.00 31.44 O ATOM 446 CB VAL A 32 24.739 8.769 5.208 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.676 8.873 3.692 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.649 7.846 5.732 1.00 32.45 C ATOM 0 H VAL A 32 25.652 8.590 7.678 1.00 24.00 H new ATOM 0 HA VAL A 32 26.384 7.376 5.104 1.00 4.03 H new ATOM 0 HB VAL A 32 24.573 9.762 5.625 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.688 9.221 3.392 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.431 9.578 3.344 1.00 52.25 H new ATOM 0 HG13 VAL A 32 24.864 7.894 3.252 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.675 8.209 5.403 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.809 6.839 5.348 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.680 7.828 6.821 1.00 32.45 H new ATOM 458 N PHE A 33 27.886 9.191 4.264 1.00 51.12 N ATOM 459 CA PHE A 33 28.907 10.154 3.868 1.00 51.45 C ATOM 460 C PHE A 33 28.749 10.542 2.402 1.00 55.55 C ATOM 461 O PHE A 33 28.033 9.884 1.648 1.00 10.22 O ATOM 462 CB PHE A 33 30.304 9.575 4.106 1.00 10.20 C ATOM 463 CG PHE A 33 30.703 9.546 5.553 1.00 4.40 C ATOM 464 CD1 PHE A 33 30.115 8.648 6.430 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.665 10.418 6.038 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.480 8.620 7.763 1.00 11.13 C ATOM 467 CE2 PHE A 33 32.033 10.395 7.370 1.00 73.04 C ATOM 468 CZ PHE A 33 31.441 9.494 8.234 1.00 5.30 C ATOM 0 H PHE A 33 27.788 8.396 3.632 1.00 51.12 H new ATOM 0 HA PHE A 33 28.783 11.049 4.478 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.341 8.561 3.707 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.032 10.164 3.548 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.363 7.962 6.068 1.00 34.41 H new ATOM 0 HD2 PHE A 33 32.132 11.124 5.367 1.00 65.40 H new ATOM 0 HE1 PHE A 33 30.014 7.915 8.436 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.783 11.081 7.735 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.729 9.473 9.275 1.00 5.30 H new ATOM 478 N ARG A 34 29.422 11.617 2.004 1.00 64.43 N ATOM 479 CA ARG A 34 29.356 12.096 0.628 1.00 65.22 C ATOM 480 C ARG A 34 30.755 12.307 0.057 1.00 15.34 C ATOM 481 O ARG A 34 31.651 12.796 0.746 1.00 10.42 O ATOM 482 CB ARG A 34 28.562 13.402 0.558 1.00 44.03 C ATOM 483 CG ARG A 34 28.370 13.923 -0.857 1.00 42.14 C ATOM 484 CD ARG A 34 29.461 14.911 -1.239 1.00 65.22 C ATOM 485 NE ARG A 34 29.196 15.549 -2.526 1.00 22.33 N ATOM 486 CZ ARG A 34 29.267 14.912 -3.689 1.00 13.23 C ATOM 487 NH1 ARG A 34 29.592 13.627 -3.727 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.012 15.560 -4.818 1.00 1.52 N ATOM 0 H ARG A 34 30.020 12.173 2.615 1.00 64.43 H new ATOM 0 HA ARG A 34 28.850 11.338 0.030 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.585 13.248 1.015 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.074 14.161 1.149 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.373 13.088 -1.557 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.396 14.405 -0.940 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.545 15.675 -0.466 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.420 14.394 -1.281 1.00 65.22 H new ATOM 0 HE ARG A 34 28.943 16.537 -2.532 1.00 22.33 H new ATOM 0 HH11 ARG A 34 29.788 13.125 -2.861 1.00 32.51 H new ATOM 0 HH12 ARG A 34 29.646 13.141 -4.622 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.761 16.548 -4.793 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.067 15.070 -5.711 1.00 1.52 H new ATOM 502 N LYS A 35 30.936 11.936 -1.206 1.00 52.41 N ATOM 503 CA LYS A 35 32.224 12.085 -1.870 1.00 13.50 C ATOM 504 C LYS A 35 32.639 13.552 -1.931 1.00 22.12 C ATOM 505 O LYS A 35 32.064 14.338 -2.683 1.00 23.40 O ATOM 506 CB LYS A 35 32.162 11.503 -3.284 1.00 52.13 C ATOM 507 CG LYS A 35 33.246 12.032 -4.208 1.00 14.31 C ATOM 508 CD LYS A 35 34.634 11.674 -3.703 1.00 53.52 C ATOM 509 CE LYS A 35 34.907 10.183 -3.835 1.00 23.31 C ATOM 510 NZ LYS A 35 35.758 9.879 -5.019 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.205 11.529 -1.790 1.00 52.41 H new ATOM 0 HA LYS A 35 32.968 11.539 -1.291 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.244 10.418 -3.225 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.187 11.726 -3.717 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.105 11.622 -5.208 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.157 13.115 -4.292 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.382 12.233 -4.265 1.00 53.52 H new ATOM 0 HD3 LYS A 35 34.731 11.972 -2.659 1.00 53.52 H new ATOM 0 HE2 LYS A 35 35.399 9.822 -2.932 1.00 23.31 H new ATOM 0 HE3 LYS A 35 33.962 9.647 -3.919 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 35.922 8.853 -5.075 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.278 10.200 -5.884 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 36.670 10.371 -4.927 1.00 21.52 H new ATOM 524 N ALA A 36 33.641 13.912 -1.135 1.00 11.43 N ATOM 525 CA ALA A 36 34.134 15.283 -1.102 1.00 5.53 C ATOM 526 C ALA A 36 34.891 15.626 -2.381 1.00 3.33 C ATOM 527 O ALA A 36 35.401 14.742 -3.068 1.00 43.41 O ATOM 528 CB ALA A 36 35.026 15.494 0.113 1.00 65.22 C ATOM 0 H ALA A 36 34.127 13.273 -0.505 1.00 11.43 H new ATOM 0 HA ALA A 36 33.275 15.950 -1.029 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.387 16.522 0.125 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.456 15.299 1.021 1.00 65.22 H new ATOM 0 HB3 ALA A 36 35.875 14.812 0.064 1.00 65.22 H new ATOM 534 N ALA A 37 34.957 16.915 -2.695 1.00 31.41 N ATOM 535 CA ALA A 37 35.651 17.375 -3.892 1.00 53.45 C ATOM 536 C ALA A 37 37.122 16.976 -3.860 1.00 42.42 C ATOM 537 O ALA A 37 37.788 16.937 -4.895 1.00 11.14 O ATOM 538 CB ALA A 37 35.515 18.883 -4.035 1.00 43.21 C ATOM 0 H ALA A 37 34.539 17.660 -2.138 1.00 31.41 H new ATOM 0 HA ALA A 37 35.190 16.896 -4.756 1.00 53.45 H new ATOM 0 HB1 ALA A 37 36.038 19.212 -4.933 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.460 19.148 -4.112 1.00 43.21 H new ATOM 0 HB3 ALA A 37 35.949 19.372 -3.163 1.00 43.21 H new ATOM 544 N ASP A 38 37.625 16.680 -2.666 1.00 21.45 N ATOM 545 CA ASP A 38 39.018 16.282 -2.500 1.00 71.21 C ATOM 546 C ASP A 38 39.156 14.763 -2.512 1.00 42.43 C ATOM 547 O ASP A 38 40.175 14.218 -2.089 1.00 64.32 O ATOM 548 CB ASP A 38 39.579 16.847 -1.194 1.00 40.43 C ATOM 549 CG ASP A 38 40.230 18.204 -1.381 1.00 61.52 C ATOM 550 OD1 ASP A 38 39.842 18.921 -2.326 1.00 35.52 O ATOM 551 OD2 ASP A 38 41.127 18.547 -0.583 1.00 52.21 O1- ATOM 0 H ASP A 38 37.088 16.708 -1.799 1.00 21.45 H new ATOM 0 HA ASP A 38 39.587 16.686 -3.337 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.775 16.931 -0.463 1.00 40.43 H new ATOM 0 HB3 ASP A 38 40.310 16.150 -0.785 1.00 40.43 H new ATOM 556 N ASP A 39 38.122 14.085 -2.999 1.00 23.33 N ATOM 557 CA ASP A 39 38.126 12.629 -3.066 1.00 64.41 C ATOM 558 C ASP A 39 38.165 12.019 -1.669 1.00 62.43 C ATOM 559 O ASP A 39 38.835 11.013 -1.435 1.00 42.41 O ATOM 560 CB ASP A 39 39.324 12.139 -3.883 1.00 53.30 C ATOM 561 CG ASP A 39 39.650 13.060 -5.041 1.00 11.54 C ATOM 562 OD1 ASP A 39 38.773 13.258 -5.909 1.00 1.24 O ATOM 563 OD2 ASP A 39 40.782 13.586 -5.081 1.00 73.02 O1- ATOM 0 H ASP A 39 37.271 14.521 -3.353 1.00 23.33 H new ATOM 0 HA ASP A 39 37.206 12.310 -3.555 1.00 64.41 H new ATOM 0 HB2 ASP A 39 40.194 12.056 -3.232 1.00 53.30 H new ATOM 0 HB3 ASP A 39 39.115 11.140 -4.265 1.00 53.30 H new ATOM 568 N THR A 40 37.443 12.638 -0.739 1.00 24.15 N ATOM 569 CA THR A 40 37.397 12.159 0.636 1.00 43.05 C ATOM 570 C THR A 40 35.970 11.821 1.054 1.00 61.51 C ATOM 571 O THR A 40 35.031 11.986 0.275 1.00 34.22 O ATOM 572 CB THR A 40 37.972 13.201 1.614 1.00 44.50 C ATOM 573 OG1 THR A 40 37.020 14.249 1.831 1.00 41.21 O ATOM 574 CG2 THR A 40 39.268 13.789 1.077 1.00 21.33 C ATOM 0 H THR A 40 36.883 13.472 -0.914 1.00 24.15 H new ATOM 0 HA THR A 40 38.008 11.257 0.676 1.00 43.05 H new ATOM 0 HB THR A 40 38.182 12.701 2.560 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.393 14.906 2.455 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.655 14.522 1.784 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.000 12.993 0.942 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.078 14.274 0.119 1.00 21.33 H new ATOM 582 N TRP A 41 35.815 11.349 2.285 1.00 45.03 N ATOM 583 CA TRP A 41 34.500 10.990 2.805 1.00 2.42 C ATOM 584 C TRP A 41 34.010 12.027 3.811 1.00 70.44 C ATOM 585 O TRP A 41 34.504 12.094 4.935 1.00 32.21 O ATOM 586 CB TRP A 41 34.549 9.609 3.460 1.00 70.13 C ATOM 587 CG TRP A 41 34.629 8.485 2.472 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.260 8.502 1.262 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.056 7.180 2.610 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.114 7.286 0.638 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.381 6.457 1.445 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.303 6.551 3.605 1.00 73.52 C ATOM 593 CZ2 TRP A 41 33.976 5.139 1.250 1.00 60.44 C ATOM 594 CZ3 TRP A 41 32.902 5.243 3.411 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.240 4.549 2.241 1.00 75.05 C ATOM 0 H TRP A 41 36.582 11.206 2.942 1.00 45.03 H new ATOM 0 HA TRP A 41 33.801 10.964 1.969 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.411 9.561 4.125 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.662 9.477 4.079 1.00 70.13 H new ATOM 0 HD1 TRP A 41 35.795 9.347 0.855 1.00 33.11 H new ATOM 0 HE1 TRP A 41 35.491 7.041 -0.278 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.039 7.078 4.510 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.234 4.602 0.349 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.319 4.747 4.173 1.00 61.10 H new ATOM 0 HH2 TRP A 41 32.913 3.527 2.119 1.00 75.05 H new ATOM 606 N GLU A 42 33.036 12.831 3.398 1.00 73.10 N ATOM 607 CA GLU A 42 32.480 13.864 4.264 1.00 54.20 C ATOM 608 C GLU A 42 31.215 13.370 4.958 1.00 4.34 C ATOM 609 O GLU A 42 30.474 12.538 4.434 1.00 73.22 O ATOM 610 CB GLU A 42 32.172 15.127 3.456 1.00 31.41 C ATOM 611 CG GLU A 42 33.410 15.925 3.079 1.00 53.13 C ATOM 612 CD GLU A 42 33.746 16.996 4.098 1.00 51.31 C ATOM 613 OE1 GLU A 42 32.812 17.675 4.574 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.942 17.154 4.420 1.00 64.44 O ATOM 0 H GLU A 42 32.616 12.787 2.470 1.00 73.10 H new ATOM 0 HA GLU A 42 33.222 14.101 5.026 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.640 14.846 2.547 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.502 15.763 4.034 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.257 15.247 2.977 1.00 53.13 H new ATOM 0 HG3 GLU A 42 33.255 16.391 2.106 1.00 53.13 H new ATOM 621 N PRO A 43 30.960 13.893 6.166 1.00 54.34 N ATOM 622 CA PRO A 43 29.784 13.520 6.959 1.00 24.43 C ATOM 623 C PRO A 43 28.487 14.041 6.351 1.00 42.40 C ATOM 624 O PRO A 43 28.278 15.251 6.253 1.00 63.02 O ATOM 625 CB PRO A 43 30.046 14.183 8.313 1.00 15.11 C ATOM 626 CG PRO A 43 30.944 15.331 8.007 1.00 23.24 C ATOM 627 CD PRO A 43 31.800 14.889 6.852 1.00 63.44 C ATOM 0 HA PRO A 43 29.656 12.439 7.016 1.00 24.43 H new ATOM 0 HB2 PRO A 43 29.118 14.519 8.775 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.515 13.488 9.009 1.00 15.11 H new ATOM 0 HG2 PRO A 43 30.368 16.219 7.748 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.557 15.589 8.871 1.00 23.24 H new ATOM 0 HD2 PRO A 43 32.051 15.723 6.196 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.741 14.456 7.192 1.00 63.44 H new ATOM 635 N PHE A 44 27.617 13.122 5.946 1.00 23.33 N ATOM 636 CA PHE A 44 26.339 13.490 5.348 1.00 30.03 C ATOM 637 C PHE A 44 25.203 13.335 6.354 1.00 11.52 C ATOM 638 O PHE A 44 24.373 14.229 6.512 1.00 21.02 O ATOM 639 CB PHE A 44 26.063 12.629 4.113 1.00 54.34 C ATOM 640 CG PHE A 44 24.838 13.047 3.353 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.593 12.536 3.686 1.00 23.01 C ATOM 642 CD2 PHE A 44 24.930 13.949 2.305 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.463 12.919 2.988 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.803 14.335 1.605 1.00 24.11 C ATOM 645 CZ PHE A 44 22.568 13.818 1.945 1.00 75.12 C ATOM 0 H PHE A 44 27.774 12.117 6.021 1.00 23.33 H new ATOM 0 HA PHE A 44 26.395 14.536 5.048 1.00 30.03 H new ATOM 0 HB2 PHE A 44 26.926 12.674 3.449 1.00 54.34 H new ATOM 0 HB3 PHE A 44 25.952 11.590 4.422 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.505 11.831 4.500 1.00 23.01 H new ATOM 0 HD2 PHE A 44 25.893 14.355 2.032 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.498 12.515 3.258 1.00 44.13 H new ATOM 0 HE2 PHE A 44 23.888 15.041 0.792 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.687 14.116 1.396 1.00 75.12 H new ATOM 655 N ALA A 45 25.173 12.192 7.032 1.00 71.23 N ATOM 656 CA ALA A 45 24.140 11.919 8.024 1.00 64.43 C ATOM 657 C ALA A 45 24.509 10.713 8.882 1.00 24.31 C ATOM 658 O ALA A 45 25.527 10.062 8.651 1.00 5.31 O ATOM 659 CB ALA A 45 22.799 11.693 7.341 1.00 55.21 C ATOM 0 H ALA A 45 25.852 11.440 6.912 1.00 71.23 H new ATOM 0 HA ALA A 45 24.060 12.787 8.678 1.00 64.43 H new ATOM 0 HB1 ALA A 45 22.037 11.490 8.094 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.524 12.584 6.776 1.00 55.21 H new ATOM 0 HB3 ALA A 45 22.875 10.843 6.663 1.00 55.21 H new ATOM 665 N SER A 46 23.674 10.423 9.875 1.00 61.42 N ATOM 666 CA SER A 46 23.914 9.298 10.771 1.00 20.23 C ATOM 667 C SER A 46 22.704 9.048 11.666 1.00 55.20 C ATOM 668 O SER A 46 21.995 9.979 12.044 1.00 65.33 O ATOM 669 CB SER A 46 25.153 9.558 11.630 1.00 30.24 C ATOM 670 OG SER A 46 25.019 8.966 12.910 1.00 45.23 O ATOM 0 H SER A 46 22.826 10.951 10.079 1.00 61.42 H new ATOM 0 HA SER A 46 24.083 8.410 10.162 1.00 20.23 H new ATOM 0 HB2 SER A 46 26.036 9.158 11.131 1.00 30.24 H new ATOM 0 HB3 SER A 46 25.307 10.632 11.737 1.00 30.24 H new ATOM 0 HG SER A 46 25.824 9.145 13.439 1.00 45.23 H new ATOM 676 N GLY A 47 22.474 7.782 12.000 1.00 22.52 N ATOM 677 CA GLY A 47 21.350 7.431 12.848 1.00 13.24 C ATOM 678 C GLY A 47 21.229 5.935 13.060 1.00 23.24 C ATOM 679 O GLY A 47 22.180 5.187 12.830 1.00 53.34 O ATOM 0 H GLY A 47 23.046 6.993 11.698 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.460 7.924 13.814 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.430 7.807 12.401 1.00 13.24 H new ATOM 683 N LYS A 48 20.055 5.494 13.501 1.00 71.53 N ATOM 684 CA LYS A 48 19.812 4.078 13.745 1.00 65.33 C ATOM 685 C LYS A 48 18.551 3.610 13.023 1.00 1.25 C ATOM 686 O LYS A 48 17.499 4.245 13.114 1.00 42.23 O ATOM 687 CB LYS A 48 19.681 3.813 15.246 1.00 75.34 C ATOM 688 CG LYS A 48 20.986 3.408 15.908 1.00 22.40 C ATOM 689 CD LYS A 48 20.809 3.191 17.401 1.00 43.34 C ATOM 690 CE LYS A 48 20.461 4.487 18.117 1.00 30.21 C ATOM 691 NZ LYS A 48 21.022 4.529 19.496 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.257 6.098 13.697 1.00 71.53 H new ATOM 0 HA LYS A 48 20.662 3.517 13.356 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.300 4.710 15.733 1.00 75.34 H new ATOM 0 HB3 LYS A 48 18.943 3.026 15.405 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.360 2.493 15.448 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.736 4.180 15.738 1.00 22.40 H new ATOM 0 HD2 LYS A 48 20.021 2.457 17.572 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.726 2.778 17.821 1.00 43.34 H new ATOM 0 HE2 LYS A 48 20.843 5.332 17.544 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.377 4.597 18.163 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 20.762 5.428 19.949 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 20.638 3.738 20.051 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 22.058 4.450 19.452 1.00 35.43 H new ATOM 705 N THR A 49 18.663 2.497 12.307 1.00 51.42 N ATOM 706 CA THR A 49 17.533 1.944 11.570 1.00 70.12 C ATOM 707 C THR A 49 16.348 1.685 12.494 1.00 10.11 C ATOM 708 O THR A 49 16.458 1.823 13.713 1.00 53.44 O ATOM 709 CB THR A 49 17.912 0.631 10.861 1.00 52.42 C ATOM 710 OG1 THR A 49 18.137 -0.401 11.827 1.00 74.22 O ATOM 711 CG2 THR A 49 19.160 0.816 10.010 1.00 34.12 C ATOM 0 H THR A 49 19.526 1.960 12.221 1.00 51.42 H new ATOM 0 HA THR A 49 17.252 2.684 10.821 1.00 70.12 H new ATOM 0 HB THR A 49 17.086 0.345 10.210 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.385 -1.029 11.815 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.408 -0.125 9.519 1.00 34.12 H new ATOM 0 HG22 THR A 49 18.976 1.581 9.256 1.00 34.12 H new ATOM 0 HG23 THR A 49 19.991 1.124 10.645 1.00 34.12 H new ATOM 719 N SER A 50 15.216 1.309 11.907 1.00 34.50 N ATOM 720 CA SER A 50 14.011 1.034 12.678 1.00 20.42 C ATOM 721 C SER A 50 13.446 -0.341 12.332 1.00 73.51 C ATOM 722 O SER A 50 13.934 -1.012 11.424 1.00 35.41 O ATOM 723 CB SER A 50 12.955 2.111 12.416 1.00 43.22 C ATOM 724 OG SER A 50 11.880 2.005 13.334 1.00 64.44 O ATOM 0 H SER A 50 15.109 1.188 10.900 1.00 34.50 H new ATOM 0 HA SER A 50 14.276 1.044 13.735 1.00 20.42 H new ATOM 0 HB2 SER A 50 13.410 3.098 12.496 1.00 43.22 H new ATOM 0 HB3 SER A 50 12.578 2.016 11.398 1.00 43.22 H new ATOM 0 HG SER A 50 11.220 2.705 13.147 1.00 64.44 H new ATOM 730 N GLU A 51 12.415 -0.752 13.063 1.00 30.32 N ATOM 731 CA GLU A 51 11.785 -2.047 12.835 1.00 23.23 C ATOM 732 C GLU A 51 11.055 -2.068 11.495 1.00 40.22 C ATOM 733 O GLU A 51 10.611 -3.119 11.034 1.00 52.42 O ATOM 734 CB GLU A 51 10.807 -2.370 13.966 1.00 74.31 C ATOM 735 CG GLU A 51 9.874 -1.222 14.310 1.00 31.32 C ATOM 736 CD GLU A 51 8.411 -1.620 14.250 1.00 73.14 C ATOM 737 OE1 GLU A 51 8.091 -2.762 14.642 1.00 52.03 O ATOM 738 OE2 GLU A 51 7.588 -0.791 13.810 1.00 65.12 O1- ATOM 0 H GLU A 51 11.998 -0.207 13.818 1.00 30.32 H new ATOM 0 HA GLU A 51 12.568 -2.805 12.815 1.00 23.23 H new ATOM 0 HB2 GLU A 51 10.212 -3.238 13.683 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.372 -2.647 14.856 1.00 74.31 H new ATOM 0 HG2 GLU A 51 10.107 -0.857 15.310 1.00 31.32 H new ATOM 0 HG3 GLU A 51 10.051 -0.396 13.621 1.00 31.32 H new ATOM 745 N SER A 52 10.935 -0.898 10.875 1.00 1.54 N ATOM 746 CA SER A 52 10.256 -0.781 9.590 1.00 44.12 C ATOM 747 C SER A 52 11.263 -0.684 8.450 1.00 3.03 C ATOM 748 O SER A 52 10.894 -0.480 7.294 1.00 54.51 O ATOM 749 CB SER A 52 9.341 0.446 9.584 1.00 55.52 C ATOM 750 OG SER A 52 8.207 0.234 8.761 1.00 34.12 O ATOM 0 H SER A 52 11.299 -0.019 11.242 1.00 1.54 H new ATOM 0 HA SER A 52 9.653 -1.677 9.442 1.00 44.12 H new ATOM 0 HB2 SER A 52 9.019 0.668 10.601 1.00 55.52 H new ATOM 0 HB3 SER A 52 9.895 1.315 9.228 1.00 55.52 H new ATOM 0 HG SER A 52 7.638 1.032 8.776 1.00 34.12 H new ATOM 756 N GLY A 53 12.542 -0.832 8.783 1.00 14.45 N ATOM 757 CA GLY A 53 13.585 -0.759 7.776 1.00 40.03 C ATOM 758 C GLY A 53 13.799 0.652 7.265 1.00 14.23 C ATOM 759 O GLY A 53 14.304 0.848 6.160 1.00 21.34 O ATOM 0 H GLY A 53 12.874 -1.001 9.732 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.518 -1.136 8.195 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.326 -1.409 6.941 1.00 40.03 H new ATOM 763 N GLU A 54 13.412 1.637 8.071 1.00 31.13 N ATOM 764 CA GLU A 54 13.562 3.036 7.690 1.00 52.11 C ATOM 765 C GLU A 54 14.223 3.836 8.810 1.00 0.31 C ATOM 766 O GLU A 54 13.792 3.786 9.963 1.00 51.32 O ATOM 767 CB GLU A 54 12.200 3.644 7.351 1.00 40.52 C ATOM 768 CG GLU A 54 11.235 3.668 8.524 1.00 10.03 C ATOM 769 CD GLU A 54 9.787 3.787 8.085 1.00 73.01 C ATOM 770 OE1 GLU A 54 9.523 3.672 6.871 1.00 75.13 O1- ATOM 771 OE2 GLU A 54 8.919 3.998 8.958 1.00 31.31 O ATOM 0 H GLU A 54 12.993 1.492 8.990 1.00 31.13 H new ATOM 0 HA GLU A 54 14.201 3.080 6.808 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.346 4.662 6.991 1.00 40.52 H new ATOM 0 HB3 GLU A 54 11.752 3.078 6.534 1.00 40.52 H new ATOM 0 HG2 GLU A 54 11.359 2.758 9.111 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.483 4.505 9.177 1.00 10.03 H new ATOM 778 N LEU A 55 15.272 4.572 8.462 1.00 5.54 N ATOM 779 CA LEU A 55 15.995 5.383 9.436 1.00 34.15 C ATOM 780 C LEU A 55 15.369 6.768 9.562 1.00 70.31 C ATOM 781 O LEU A 55 14.604 7.197 8.698 1.00 34.41 O ATOM 782 CB LEU A 55 17.465 5.510 9.034 1.00 4.21 C ATOM 783 CG LEU A 55 18.473 5.558 10.182 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.761 4.847 9.793 1.00 50.42 C ATOM 785 CD2 LEU A 55 18.757 6.998 10.583 1.00 14.12 C ATOM 0 H LEU A 55 15.641 4.624 7.513 1.00 5.54 H new ATOM 0 HA LEU A 55 15.932 4.886 10.404 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.719 4.668 8.389 1.00 4.21 H new ATOM 0 HB3 LEU A 55 17.581 6.415 8.437 1.00 4.21 H new ATOM 0 HG LEU A 55 18.042 5.041 11.040 1.00 2.23 H new ATOM 0 HD11 LEU A 55 20.466 4.892 10.623 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.544 3.805 9.557 1.00 50.42 H new ATOM 0 HD13 LEU A 55 20.196 5.334 8.920 1.00 50.42 H new ATOM 0 HD21 LEU A 55 19.477 7.013 11.402 1.00 14.12 H new ATOM 0 HD22 LEU A 55 19.167 7.539 9.730 1.00 14.12 H new ATOM 0 HD23 LEU A 55 17.831 7.475 10.905 1.00 14.12 H new ATOM 797 N HIS A 56 15.702 7.466 10.644 1.00 5.15 N ATOM 798 CA HIS A 56 15.175 8.805 10.882 1.00 13.42 C ATOM 799 C HIS A 56 15.521 9.739 9.726 1.00 51.22 C ATOM 800 O HIS A 56 16.097 9.316 8.725 1.00 34.12 O ATOM 801 CB HIS A 56 15.729 9.368 12.191 1.00 32.12 C ATOM 802 CG HIS A 56 15.148 8.727 13.413 1.00 53.30 C ATOM 803 ND1 HIS A 56 14.496 7.511 13.388 1.00 23.11 N ATOM 804 CD2 HIS A 56 15.125 9.137 14.702 1.00 72.43 C ATOM 805 CE1 HIS A 56 14.096 7.203 14.608 1.00 1.32 C ATOM 806 NE2 HIS A 56 14.465 8.173 15.425 1.00 3.25 N ATOM 0 H HIS A 56 16.334 7.126 11.369 1.00 5.15 H new ATOM 0 HA HIS A 56 14.090 8.734 10.956 1.00 13.42 H new ATOM 0 HB2 HIS A 56 16.811 9.239 12.203 1.00 32.12 H new ATOM 0 HB3 HIS A 56 15.535 10.440 12.226 1.00 32.12 H new ATOM 0 HD2 HIS A 56 15.547 10.052 15.091 1.00 72.43 H new ATOM 0 HE1 HIS A 56 13.558 6.310 14.890 1.00 1.32 H new ATOM 0 HE2 HIS A 56 14.289 8.202 16.429 1.00 3.25 H new ATOM 814 N GLY A 57 15.163 11.011 9.871 1.00 61.41 N ATOM 815 CA GLY A 57 15.443 11.984 8.832 1.00 74.22 C ATOM 816 C GLY A 57 16.929 12.206 8.629 1.00 32.15 C ATOM 817 O GLY A 57 17.529 13.066 9.275 1.00 74.24 O ATOM 0 H GLY A 57 14.684 11.385 10.690 1.00 61.41 H new ATOM 0 HA2 GLY A 57 14.998 11.649 7.895 1.00 74.22 H new ATOM 0 HA3 GLY A 57 14.969 12.931 9.089 1.00 74.22 H new ATOM 821 N LEU A 58 17.525 11.427 7.733 1.00 71.24 N ATOM 822 CA LEU A 58 18.951 11.541 7.449 1.00 13.14 C ATOM 823 C LEU A 58 19.200 12.490 6.282 1.00 72.13 C ATOM 824 O LEU A 58 20.278 13.073 6.158 1.00 54.40 O ATOM 825 CB LEU A 58 19.540 10.164 7.136 1.00 52.25 C ATOM 826 CG LEU A 58 19.743 9.233 8.330 1.00 45.12 C ATOM 827 CD1 LEU A 58 20.277 7.885 7.873 1.00 71.41 C ATOM 828 CD2 LEU A 58 20.684 9.865 9.346 1.00 33.14 C ATOM 0 H LEU A 58 17.043 10.710 7.191 1.00 71.24 H new ATOM 0 HA LEU A 58 19.441 11.947 8.334 1.00 13.14 H new ATOM 0 HB2 LEU A 58 18.886 9.666 6.420 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.502 10.306 6.644 1.00 52.25 H new ATOM 0 HG LEU A 58 18.777 9.074 8.809 1.00 45.12 H new ATOM 0 HD11 LEU A 58 20.415 7.236 8.738 1.00 71.41 H new ATOM 0 HD12 LEU A 58 19.567 7.427 7.185 1.00 71.41 H new ATOM 0 HD13 LEU A 58 21.233 8.025 7.368 1.00 71.41 H new ATOM 0 HD21 LEU A 58 20.817 9.188 10.190 1.00 33.14 H new ATOM 0 HD22 LEU A 58 21.650 10.056 8.878 1.00 33.14 H new ATOM 0 HD23 LEU A 58 20.260 10.805 9.699 1.00 33.14 H new ATOM 840 N THR A 59 18.193 12.645 5.426 1.00 63.43 N ATOM 841 CA THR A 59 18.302 13.526 4.270 1.00 22.11 C ATOM 842 C THR A 59 18.530 14.970 4.698 1.00 64.24 C ATOM 843 O THR A 59 18.081 15.393 5.764 1.00 72.41 O ATOM 844 CB THR A 59 17.038 13.456 3.392 1.00 73.42 C ATOM 845 OG1 THR A 59 15.948 14.113 4.048 1.00 35.32 O ATOM 846 CG2 THR A 59 16.663 12.012 3.096 1.00 74.22 C ATOM 0 H THR A 59 17.294 12.172 5.512 1.00 63.43 H new ATOM 0 HA THR A 59 19.159 13.183 3.690 1.00 22.11 H new ATOM 0 HB THR A 59 17.250 13.960 2.449 1.00 73.42 H new ATOM 0 HG1 THR A 59 15.149 14.065 3.482 1.00 35.32 H new ATOM 0 HG21 THR A 59 15.768 11.989 2.475 1.00 74.22 H new ATOM 0 HG22 THR A 59 17.483 11.524 2.569 1.00 74.22 H new ATOM 0 HG23 THR A 59 16.469 11.487 4.032 1.00 74.22 H new ATOM 854 N THR A 60 19.232 15.728 3.860 1.00 12.24 N ATOM 855 CA THR A 60 19.522 17.126 4.152 1.00 43.44 C ATOM 856 C THR A 60 19.664 17.937 2.869 1.00 34.10 C ATOM 857 O THR A 60 19.445 17.424 1.772 1.00 22.23 O ATOM 858 CB THR A 60 20.809 17.271 4.984 1.00 21.12 C ATOM 859 OG1 THR A 60 21.926 16.752 4.254 1.00 74.34 O ATOM 860 CG2 THR A 60 20.680 16.539 6.312 1.00 41.12 C ATOM 0 H THR A 60 19.610 15.396 2.973 1.00 12.24 H new ATOM 0 HA THR A 60 18.681 17.510 4.730 1.00 43.44 H new ATOM 0 HB THR A 60 20.968 18.330 5.185 1.00 21.12 H new ATOM 0 HG1 THR A 60 22.741 16.850 4.790 1.00 74.34 H new ATOM 0 HG21 THR A 60 21.601 16.655 6.883 1.00 41.12 H new ATOM 0 HG22 THR A 60 19.847 16.956 6.878 1.00 41.12 H new ATOM 0 HG23 THR A 60 20.499 15.480 6.128 1.00 41.12 H new ATOM 868 N GLU A 61 20.035 19.205 3.014 1.00 14.50 N ATOM 869 CA GLU A 61 20.207 20.086 1.866 1.00 24.54 C ATOM 870 C GLU A 61 21.353 19.607 0.980 1.00 54.52 C ATOM 871 O GLU A 61 21.494 20.047 -0.161 1.00 63.11 O ATOM 872 CB GLU A 61 20.472 21.520 2.330 1.00 35.23 C ATOM 873 CG GLU A 61 21.612 21.636 3.327 1.00 25.21 C ATOM 874 CD GLU A 61 22.143 23.052 3.444 1.00 70.35 C ATOM 875 OE1 GLU A 61 21.332 23.972 3.677 1.00 33.30 O ATOM 876 OE2 GLU A 61 23.370 23.239 3.302 1.00 13.54 O1- ATOM 0 H GLU A 61 20.222 19.645 3.915 1.00 14.50 H new ATOM 0 HA GLU A 61 19.286 20.065 1.283 1.00 24.54 H new ATOM 0 HB2 GLU A 61 20.696 22.139 1.461 1.00 35.23 H new ATOM 0 HB3 GLU A 61 19.564 21.921 2.781 1.00 35.23 H new ATOM 0 HG2 GLU A 61 21.270 21.298 4.305 1.00 25.21 H new ATOM 0 HG3 GLU A 61 22.422 20.972 3.026 1.00 25.21 H new ATOM 883 N GLU A 62 22.169 18.704 1.514 1.00 72.32 N ATOM 884 CA GLU A 62 23.304 18.168 0.772 1.00 31.42 C ATOM 885 C GLU A 62 22.851 17.090 -0.209 1.00 1.45 C ATOM 886 O GLU A 62 23.661 16.525 -0.942 1.00 71.41 O ATOM 887 CB GLU A 62 24.345 17.590 1.734 1.00 1.21 C ATOM 888 CG GLU A 62 25.220 18.647 2.387 1.00 10.03 C ATOM 889 CD GLU A 62 26.098 19.376 1.387 1.00 2.43 C ATOM 890 OE1 GLU A 62 26.832 18.698 0.639 1.00 32.10 O1- ATOM 891 OE2 GLU A 62 26.050 20.623 1.354 1.00 75.13 O ATOM 0 H GLU A 62 22.066 18.329 2.457 1.00 72.32 H new ATOM 0 HA GLU A 62 23.755 18.985 0.208 1.00 31.42 H new ATOM 0 HB2 GLU A 62 23.834 17.022 2.511 1.00 1.21 H new ATOM 0 HB3 GLU A 62 24.979 16.889 1.192 1.00 1.21 H new ATOM 0 HG2 GLU A 62 24.587 19.369 2.904 1.00 10.03 H new ATOM 0 HG3 GLU A 62 25.849 18.177 3.142 1.00 10.03 H new ATOM 898 N GLU A 63 21.551 16.813 -0.216 1.00 1.55 N ATOM 899 CA GLU A 63 20.991 15.803 -1.107 1.00 2.15 C ATOM 900 C GLU A 63 20.993 16.291 -2.553 1.00 33.05 C ATOM 901 O GLU A 63 20.701 15.531 -3.476 1.00 33.04 O ATOM 902 CB GLU A 63 19.565 15.449 -0.679 1.00 4.33 C ATOM 903 CG GLU A 63 18.557 16.554 -0.942 1.00 54.34 C ATOM 904 CD GLU A 63 17.238 16.323 -0.232 1.00 22.40 C ATOM 905 OE1 GLU A 63 17.202 15.493 0.700 1.00 61.14 O ATOM 906 OE2 GLU A 63 16.241 16.974 -0.609 1.00 12.13 O1- ATOM 0 H GLU A 63 20.867 17.273 0.384 1.00 1.55 H new ATOM 0 HA GLU A 63 21.615 14.912 -1.042 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.250 14.549 -1.206 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.562 15.213 0.385 1.00 4.33 H new ATOM 0 HG2 GLU A 63 18.976 17.507 -0.620 1.00 54.34 H new ATOM 0 HG3 GLU A 63 18.379 16.630 -2.015 1.00 54.34 H new ATOM 913 N PHE A 64 21.323 17.563 -2.741 1.00 14.24 N ATOM 914 CA PHE A 64 21.363 18.154 -4.074 1.00 42.31 C ATOM 915 C PHE A 64 22.735 17.963 -4.713 1.00 11.50 C ATOM 916 O PHE A 64 23.033 18.547 -5.755 1.00 32.43 O ATOM 917 CB PHE A 64 21.022 19.644 -4.004 1.00 12.40 C ATOM 918 CG PHE A 64 22.221 20.525 -3.794 1.00 41.53 C ATOM 919 CD1 PHE A 64 23.042 20.347 -2.692 1.00 43.22 C ATOM 920 CD2 PHE A 64 22.527 21.528 -4.699 1.00 45.43 C ATOM 921 CE1 PHE A 64 24.145 21.156 -2.496 1.00 2.15 C ATOM 922 CE2 PHE A 64 23.630 22.340 -4.508 1.00 42.01 C ATOM 923 CZ PHE A 64 24.440 22.152 -3.405 1.00 13.33 C ATOM 0 H PHE A 64 21.567 18.206 -1.987 1.00 14.24 H new ATOM 0 HA PHE A 64 20.621 17.647 -4.692 1.00 42.31 H new ATOM 0 HB2 PHE A 64 20.523 19.938 -4.927 1.00 12.40 H new ATOM 0 HB3 PHE A 64 20.314 19.809 -3.192 1.00 12.40 H new ATOM 0 HD1 PHE A 64 22.817 19.568 -1.979 1.00 43.22 H new ATOM 0 HD2 PHE A 64 21.897 21.678 -5.563 1.00 45.43 H new ATOM 0 HE1 PHE A 64 24.776 21.009 -1.632 1.00 2.15 H new ATOM 0 HE2 PHE A 64 23.858 23.120 -5.220 1.00 42.01 H new ATOM 0 HZ PHE A 64 25.303 22.783 -3.254 1.00 13.33 H new ATOM 933 N VAL A 65 23.568 17.143 -4.080 1.00 14.35 N ATOM 934 CA VAL A 65 24.908 16.875 -4.586 1.00 53.13 C ATOM 935 C VAL A 65 24.860 15.996 -5.830 1.00 62.20 C ATOM 936 O VAL A 65 23.784 15.648 -6.314 1.00 61.02 O ATOM 937 CB VAL A 65 25.784 16.189 -3.519 1.00 52.31 C ATOM 938 CG1 VAL A 65 26.071 17.144 -2.370 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.112 14.922 -3.015 1.00 75.10 C ATOM 0 H VAL A 65 23.338 16.653 -3.216 1.00 14.35 H new ATOM 0 HA VAL A 65 25.348 17.839 -4.843 1.00 53.13 H new ATOM 0 HB VAL A 65 26.734 15.912 -3.975 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.690 16.643 -1.626 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.596 18.021 -2.748 1.00 53.55 H new ATOM 0 HG13 VAL A 65 25.132 17.454 -1.911 1.00 53.55 H new ATOM 0 HG21 VAL A 65 25.744 14.450 -2.262 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.147 15.173 -2.574 1.00 75.10 H new ATOM 0 HG23 VAL A 65 24.963 14.234 -3.847 1.00 75.10 H new ATOM 949 N GLU A 66 26.034 15.640 -6.342 1.00 2.51 N ATOM 950 CA GLU A 66 26.125 14.801 -7.531 1.00 74.43 C ATOM 951 C GLU A 66 25.262 13.552 -7.382 1.00 23.21 C ATOM 952 O GLU A 66 24.478 13.217 -8.270 1.00 2.04 O ATOM 953 CB GLU A 66 27.580 14.401 -7.790 1.00 20.43 C ATOM 954 CG GLU A 66 28.479 15.572 -8.148 1.00 34.14 C ATOM 955 CD GLU A 66 28.558 15.811 -9.644 1.00 41.54 C ATOM 956 OE1 GLU A 66 28.693 14.822 -10.395 1.00 71.33 O ATOM 957 OE2 GLU A 66 28.486 16.985 -10.062 1.00 10.42 O1- ATOM 0 H GLU A 66 26.934 15.919 -5.952 1.00 2.51 H new ATOM 0 HA GLU A 66 25.757 15.377 -8.380 1.00 74.43 H new ATOM 0 HB2 GLU A 66 27.976 13.908 -6.902 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.609 13.671 -8.599 1.00 20.43 H new ATOM 0 HG2 GLU A 66 28.108 16.473 -7.659 1.00 34.14 H new ATOM 0 HG3 GLU A 66 29.481 15.388 -7.760 1.00 34.14 H new ATOM 964 N GLY A 67 25.413 12.865 -6.255 1.00 71.33 N ATOM 965 CA GLY A 67 24.642 11.660 -6.010 1.00 61.34 C ATOM 966 C GLY A 67 25.434 10.608 -5.259 1.00 70.12 C ATOM 967 O GLY A 67 24.873 9.614 -4.795 1.00 52.23 O ATOM 0 H GLY A 67 26.056 13.121 -5.506 1.00 71.33 H new ATOM 0 HA2 GLY A 67 23.748 11.914 -5.440 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.306 11.247 -6.961 1.00 61.34 H new ATOM 971 N ILE A 68 26.739 10.824 -5.140 1.00 31.34 N ATOM 972 CA ILE A 68 27.607 9.885 -4.441 1.00 24.21 C ATOM 973 C ILE A 68 27.304 9.864 -2.947 1.00 41.21 C ATOM 974 O ILE A 68 27.349 10.896 -2.278 1.00 52.24 O ATOM 975 CB ILE A 68 29.094 10.234 -4.646 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.439 10.237 -6.137 1.00 53.05 C ATOM 977 CG2 ILE A 68 29.978 9.249 -3.895 1.00 43.11 C ATOM 978 CD1 ILE A 68 30.593 11.149 -6.488 1.00 24.51 C ATOM 0 H ILE A 68 27.219 11.641 -5.518 1.00 31.34 H new ATOM 0 HA ILE A 68 27.411 8.899 -4.863 1.00 24.21 H new ATOM 0 HB ILE A 68 29.276 11.232 -4.248 1.00 2.11 H new ATOM 0 HG12 ILE A 68 29.682 9.221 -6.447 1.00 53.05 H new ATOM 0 HG13 ILE A 68 28.560 10.542 -6.705 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.025 9.509 -4.050 1.00 43.11 H new ATOM 0 HG22 ILE A 68 29.747 9.291 -2.831 1.00 43.11 H new ATOM 0 HG23 ILE A 68 29.796 8.240 -4.266 1.00 43.11 H new ATOM 0 HD11 ILE A 68 30.782 11.101 -7.560 1.00 24.51 H new ATOM 0 HD12 ILE A 68 30.345 12.173 -6.209 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.485 10.831 -5.948 1.00 24.51 H new ATOM 990 N TYR A 69 26.995 8.680 -2.429 1.00 43.21 N ATOM 991 CA TYR A 69 26.682 8.523 -1.013 1.00 1.03 C ATOM 992 C TYR A 69 27.271 7.227 -0.466 1.00 42.24 C ATOM 993 O TYR A 69 27.016 6.144 -0.993 1.00 25.42 O ATOM 994 CB TYR A 69 25.168 8.540 -0.798 1.00 41.35 C ATOM 995 CG TYR A 69 24.500 9.800 -1.297 1.00 60.55 C ATOM 996 CD1 TYR A 69 24.869 11.047 -0.807 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.499 9.746 -2.261 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.260 12.202 -1.260 1.00 61.22 C ATOM 999 CE2 TYR A 69 22.886 10.895 -2.719 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.269 12.120 -2.216 1.00 22.23 C ATOM 1001 OH TYR A 69 22.662 13.269 -2.671 1.00 34.52 O ATOM 0 H TYR A 69 26.955 7.815 -2.968 1.00 43.21 H new ATOM 0 HA TYR A 69 27.127 9.359 -0.474 1.00 1.03 H new ATOM 0 HB2 TYR A 69 24.728 7.681 -1.304 1.00 41.35 H new ATOM 0 HB3 TYR A 69 24.959 8.425 0.266 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.645 11.115 -0.059 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.196 8.789 -2.658 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.558 13.163 -0.868 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.110 10.834 -3.468 1.00 73.53 H new ATOM 0 HH TYR A 69 21.987 13.038 -3.343 1.00 34.52 H new ATOM 1011 N LYS A 70 28.060 7.345 0.597 1.00 53.02 N ATOM 1012 CA LYS A 70 28.685 6.184 1.219 1.00 22.35 C ATOM 1013 C LYS A 70 28.068 5.901 2.585 1.00 44.40 C ATOM 1014 O LYS A 70 28.357 6.592 3.562 1.00 32.24 O ATOM 1015 CB LYS A 70 30.192 6.407 1.364 1.00 11.12 C ATOM 1016 CG LYS A 70 30.907 6.609 0.040 1.00 64.32 C ATOM 1017 CD LYS A 70 30.875 8.065 -0.394 1.00 64.11 C ATOM 1018 CE LYS A 70 32.220 8.742 -0.177 1.00 50.51 C ATOM 1019 NZ LYS A 70 33.112 8.594 -1.359 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.282 8.234 1.046 1.00 53.02 H new ATOM 0 HA LYS A 70 28.512 5.321 0.576 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.363 7.278 1.996 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.630 5.551 1.877 1.00 11.12 H new ATOM 0 HG2 LYS A 70 31.942 6.278 0.130 1.00 64.32 H new ATOM 0 HG3 LYS A 70 30.439 5.990 -0.725 1.00 64.32 H new ATOM 0 HD2 LYS A 70 30.602 8.126 -1.447 1.00 64.11 H new ATOM 0 HD3 LYS A 70 30.105 8.596 0.166 1.00 64.11 H new ATOM 0 HE2 LYS A 70 32.064 9.801 0.030 1.00 50.51 H new ATOM 0 HE3 LYS A 70 32.705 8.313 0.700 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 33.948 8.035 -1.095 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 32.599 8.110 -2.123 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 33.413 9.534 -1.686 1.00 34.32 H new ATOM 1033 N VAL A 71 27.219 4.881 2.647 1.00 65.12 N ATOM 1034 CA VAL A 71 26.564 4.505 3.893 1.00 43.30 C ATOM 1035 C VAL A 71 27.272 3.327 4.554 1.00 4.12 C ATOM 1036 O VAL A 71 27.591 2.336 3.898 1.00 32.12 O ATOM 1037 CB VAL A 71 25.086 4.138 3.663 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.439 3.682 4.962 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.331 5.316 3.066 1.00 13.51 C ATOM 0 H VAL A 71 26.968 4.299 1.847 1.00 65.12 H new ATOM 0 HA VAL A 71 26.617 5.372 4.551 1.00 43.30 H new ATOM 0 HB VAL A 71 25.042 3.311 2.954 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.395 3.427 4.779 1.00 72.13 H new ATOM 0 HG12 VAL A 71 24.965 2.806 5.343 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.493 4.485 5.697 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.288 5.039 2.910 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.383 6.165 3.748 1.00 13.51 H new ATOM 0 HG23 VAL A 71 24.780 5.590 2.111 1.00 13.51 H new ATOM 1049 N GLU A 72 27.514 3.444 5.856 1.00 21.11 N ATOM 1050 CA GLU A 72 28.186 2.388 6.605 1.00 23.21 C ATOM 1051 C GLU A 72 27.322 1.916 7.771 1.00 64.10 C ATOM 1052 O GLU A 72 26.672 2.719 8.440 1.00 4.11 O ATOM 1053 CB GLU A 72 29.538 2.881 7.123 1.00 23.23 C ATOM 1054 CG GLU A 72 29.904 2.328 8.490 1.00 11.22 C ATOM 1055 CD GLU A 72 31.390 2.420 8.778 1.00 2.12 C ATOM 1056 OE1 GLU A 72 32.191 2.084 7.880 1.00 13.44 O ATOM 1057 OE2 GLU A 72 31.751 2.829 9.902 1.00 15.25 O1- ATOM 0 H GLU A 72 27.255 4.258 6.413 1.00 21.11 H new ATOM 0 HA GLU A 72 28.349 1.546 5.932 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.314 2.605 6.409 1.00 23.23 H new ATOM 0 HB3 GLU A 72 29.524 3.970 7.173 1.00 23.23 H new ATOM 0 HG2 GLU A 72 29.355 2.873 9.257 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.589 1.286 8.552 1.00 11.22 H new ATOM 1064 N ILE A 73 27.322 0.609 8.009 1.00 64.22 N ATOM 1065 CA ILE A 73 26.541 0.029 9.094 1.00 54.32 C ATOM 1066 C ILE A 73 27.444 -0.636 10.128 1.00 14.42 C ATOM 1067 O ILE A 73 28.393 -1.339 9.777 1.00 11.03 O ATOM 1068 CB ILE A 73 25.530 -1.008 8.569 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.583 -0.361 7.556 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.747 -1.615 9.723 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.725 -0.914 6.156 1.00 1.34 C ATOM 0 H ILE A 73 27.855 -0.069 7.464 1.00 64.22 H new ATOM 0 HA ILE A 73 25.997 0.849 9.564 1.00 54.32 H new ATOM 0 HB ILE A 73 26.077 -1.806 8.068 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.555 -0.502 7.891 1.00 2.33 H new ATOM 0 HG13 ILE A 73 24.767 0.713 7.534 1.00 2.33 H new ATOM 0 HG21 ILE A 73 24.037 -2.346 9.336 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.435 -2.107 10.411 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.207 -0.828 10.250 1.00 24.31 H new ATOM 0 HD11 ILE A 73 24.023 -0.409 5.492 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.742 -0.749 5.801 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.512 -1.983 6.164 1.00 1.34 H new ATOM 1083 N ASP A 74 27.142 -0.410 11.401 1.00 44.44 N ATOM 1084 CA ASP A 74 27.924 -0.990 12.487 1.00 10.11 C ATOM 1085 C ASP A 74 27.181 -2.157 13.129 1.00 13.42 C ATOM 1086 O ASP A 74 26.212 -1.963 13.864 1.00 64.24 O ATOM 1087 CB ASP A 74 28.239 0.072 13.541 1.00 20.22 C ATOM 1088 CG ASP A 74 29.718 0.397 13.612 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.481 -0.425 14.160 1.00 62.12 O1- ATOM 1090 OD2 ASP A 74 30.113 1.476 13.119 1.00 11.04 O ATOM 0 H ASP A 74 26.361 0.171 11.707 1.00 44.44 H new ATOM 0 HA ASP A 74 28.859 -1.364 12.069 1.00 10.11 H new ATOM 0 HB2 ASP A 74 27.681 0.981 13.315 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.899 -0.276 14.516 1.00 20.22 H new ATOM 1095 N THR A 75 27.640 -3.373 12.846 1.00 2.21 N ATOM 1096 CA THR A 75 27.018 -4.571 13.394 1.00 43.11 C ATOM 1097 C THR A 75 27.686 -4.989 14.700 1.00 52.03 C ATOM 1098 O THR A 75 27.528 -6.123 15.155 1.00 42.55 O ATOM 1099 CB THR A 75 27.086 -5.745 12.398 1.00 63.11 C ATOM 1100 OG1 THR A 75 28.451 -6.115 12.169 1.00 13.12 O ATOM 1101 CG2 THR A 75 26.429 -5.372 11.078 1.00 71.34 C ATOM 0 H THR A 75 28.441 -3.553 12.240 1.00 2.21 H new ATOM 0 HA THR A 75 25.973 -4.326 13.585 1.00 43.11 H new ATOM 0 HB THR A 75 26.548 -6.590 12.828 1.00 63.11 H new ATOM 0 HG1 THR A 75 28.709 -5.865 11.257 1.00 13.12 H new ATOM 0 HG21 THR A 75 26.489 -6.216 10.391 1.00 71.34 H new ATOM 0 HG22 THR A 75 25.383 -5.118 11.251 1.00 71.34 H new ATOM 0 HG23 THR A 75 26.943 -4.514 10.645 1.00 71.34 H new ATOM 1109 N LYS A 76 28.431 -4.067 15.299 1.00 11.51 N ATOM 1110 CA LYS A 76 29.121 -4.339 16.555 1.00 2.32 C ATOM 1111 C LYS A 76 28.189 -4.127 17.744 1.00 63.31 C ATOM 1112 O LYS A 76 28.202 -4.903 18.700 1.00 10.13 O ATOM 1113 CB LYS A 76 30.350 -3.436 16.690 1.00 70.33 C ATOM 1114 CG LYS A 76 30.019 -1.954 16.705 1.00 30.31 C ATOM 1115 CD LYS A 76 29.859 -1.432 18.122 1.00 0.13 C ATOM 1116 CE LYS A 76 31.199 -1.036 18.724 1.00 10.32 C ATOM 1117 NZ LYS A 76 31.596 0.345 18.335 1.00 64.52 N1+ ATOM 0 H LYS A 76 28.573 -3.125 14.935 1.00 11.51 H new ATOM 0 HA LYS A 76 29.441 -5.381 16.548 1.00 2.32 H new ATOM 0 HB2 LYS A 76 30.878 -3.691 17.609 1.00 70.33 H new ATOM 0 HB3 LYS A 76 31.032 -3.639 15.864 1.00 70.33 H new ATOM 0 HG2 LYS A 76 30.809 -1.399 16.199 1.00 30.31 H new ATOM 0 HG3 LYS A 76 29.099 -1.780 16.146 1.00 30.31 H new ATOM 0 HD2 LYS A 76 29.191 -0.571 18.121 1.00 0.13 H new ATOM 0 HD3 LYS A 76 29.392 -2.197 18.742 1.00 0.13 H new ATOM 0 HE2 LYS A 76 31.144 -1.105 19.810 1.00 10.32 H new ATOM 0 HE3 LYS A 76 31.965 -1.739 18.398 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 32.514 0.577 18.765 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 31.674 0.405 17.300 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 30.878 1.019 18.668 1.00 64.52 H new ATOM 1131 N SER A 77 27.381 -3.074 17.678 1.00 12.32 N ATOM 1132 CA SER A 77 26.445 -2.760 18.750 1.00 40.54 C ATOM 1133 C SER A 77 25.098 -3.434 18.510 1.00 72.24 C ATOM 1134 O SER A 77 24.258 -3.508 19.408 1.00 3.31 O ATOM 1135 CB SER A 77 26.257 -1.246 18.867 1.00 24.54 C ATOM 1136 OG SER A 77 26.314 -0.626 17.593 1.00 62.42 O ATOM 0 H SER A 77 27.356 -2.424 16.893 1.00 12.32 H new ATOM 0 HA SER A 77 26.861 -3.140 19.683 1.00 40.54 H new ATOM 0 HB2 SER A 77 25.298 -1.031 19.337 1.00 24.54 H new ATOM 0 HB3 SER A 77 27.030 -0.829 19.513 1.00 24.54 H new ATOM 0 HG SER A 77 26.190 0.341 17.694 1.00 62.42 H new ATOM 1142 N TYR A 78 24.898 -3.923 17.292 1.00 33.14 N ATOM 1143 CA TYR A 78 23.652 -4.589 16.930 1.00 43.04 C ATOM 1144 C TYR A 78 23.575 -5.979 17.555 1.00 22.45 C ATOM 1145 O TYR A 78 22.534 -6.383 18.070 1.00 1.02 O ATOM 1146 CB TYR A 78 23.527 -4.694 15.410 1.00 4.32 C ATOM 1147 CG TYR A 78 22.371 -5.554 14.954 1.00 61.13 C ATOM 1148 CD1 TYR A 78 21.064 -5.238 15.303 1.00 50.52 C ATOM 1149 CD2 TYR A 78 22.584 -6.683 14.173 1.00 52.42 C ATOM 1150 CE1 TYR A 78 20.003 -6.021 14.890 1.00 70.55 C ATOM 1151 CE2 TYR A 78 21.531 -7.472 13.754 1.00 61.52 C ATOM 1152 CZ TYR A 78 20.243 -7.138 14.116 1.00 70.05 C ATOM 1153 OH TYR A 78 19.189 -7.920 13.701 1.00 34.34 O ATOM 0 H TYR A 78 25.583 -3.871 16.538 1.00 33.14 H new ATOM 0 HA TYR A 78 22.826 -3.991 17.315 1.00 43.04 H new ATOM 0 HB2 TYR A 78 23.410 -3.693 14.994 1.00 4.32 H new ATOM 0 HB3 TYR A 78 24.453 -5.102 15.005 1.00 4.32 H new ATOM 0 HD1 TYR A 78 20.874 -4.364 15.908 1.00 50.52 H new ATOM 0 HD2 TYR A 78 23.591 -6.948 13.888 1.00 52.42 H new ATOM 0 HE1 TYR A 78 18.993 -5.761 15.171 1.00 70.55 H new ATOM 0 HE2 TYR A 78 21.715 -8.346 13.146 1.00 61.52 H new ATOM 0 HH TYR A 78 18.389 -7.364 13.600 1.00 34.34 H new ATOM 1163 N TRP A 79 24.687 -6.704 17.504 1.00 42.11 N ATOM 1164 CA TRP A 79 24.748 -8.050 18.065 1.00 34.33 C ATOM 1165 C TRP A 79 24.793 -8.002 19.588 1.00 45.25 C ATOM 1166 O TRP A 79 24.290 -8.900 20.262 1.00 50.44 O ATOM 1167 CB TRP A 79 25.973 -8.793 17.529 1.00 11.24 C ATOM 1168 CG TRP A 79 27.010 -9.061 18.577 1.00 33.12 C ATOM 1169 CD1 TRP A 79 26.905 -9.923 19.631 1.00 13.21 C ATOM 1170 CD2 TRP A 79 28.307 -8.463 18.672 1.00 23.44 C ATOM 1171 NE1 TRP A 79 28.060 -9.897 20.376 1.00 13.32 N ATOM 1172 CE2 TRP A 79 28.936 -9.009 19.808 1.00 40.35 C ATOM 1173 CE3 TRP A 79 29.000 -7.520 17.907 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 30.222 -8.642 20.196 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 30.276 -7.157 18.293 1.00 22.15 C ATOM 1176 CH2 TRP A 79 30.876 -7.717 19.429 1.00 55.42 C ATOM 0 H TRP A 79 25.558 -6.383 17.081 1.00 42.11 H new ATOM 0 HA TRP A 79 23.847 -8.585 17.763 1.00 34.33 H new ATOM 0 HB2 TRP A 79 25.653 -9.740 17.094 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.421 -8.208 16.726 1.00 11.24 H new ATOM 0 HD1 TRP A 79 26.042 -10.535 19.847 1.00 13.21 H new ATOM 0 HE1 TRP A 79 28.236 -10.449 21.215 1.00 13.32 H new ATOM 0 HE3 TRP A 79 28.546 -7.083 17.030 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 30.686 -9.072 21.071 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 30.820 -6.429 17.709 1.00 22.15 H new ATOM 0 HH2 TRP A 79 31.875 -7.412 19.704 1.00 55.42 H new ATOM 1187 N LYS A 80 25.397 -6.948 20.126 1.00 50.41 N ATOM 1188 CA LYS A 80 25.507 -6.782 21.570 1.00 54.32 C ATOM 1189 C LYS A 80 24.228 -6.186 22.148 1.00 54.00 C ATOM 1190 O LYS A 80 23.985 -6.261 23.352 1.00 50.04 O ATOM 1191 CB LYS A 80 26.700 -5.888 21.912 1.00 61.21 C ATOM 1192 CG LYS A 80 26.381 -4.403 21.864 1.00 73.40 C ATOM 1193 CD LYS A 80 26.049 -3.859 23.244 1.00 71.12 C ATOM 1194 CE LYS A 80 27.305 -3.469 24.006 1.00 24.41 C ATOM 1195 NZ LYS A 80 26.997 -3.017 25.391 1.00 51.34 N1+ ATOM 0 H LYS A 80 25.818 -6.195 19.582 1.00 50.41 H new ATOM 0 HA LYS A 80 25.660 -7.766 22.013 1.00 54.32 H new ATOM 0 HB2 LYS A 80 27.059 -6.142 22.909 1.00 61.21 H new ATOM 0 HB3 LYS A 80 27.513 -6.099 21.217 1.00 61.21 H new ATOM 0 HG2 LYS A 80 27.232 -3.860 21.453 1.00 73.40 H new ATOM 0 HG3 LYS A 80 25.540 -4.232 21.192 1.00 73.40 H new ATOM 0 HD2 LYS A 80 25.397 -2.991 23.147 1.00 71.12 H new ATOM 0 HD3 LYS A 80 25.498 -4.610 23.809 1.00 71.12 H new ATOM 0 HE2 LYS A 80 27.985 -4.320 24.045 1.00 24.41 H new ATOM 0 HE3 LYS A 80 27.822 -2.672 23.471 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 27.880 -2.760 25.877 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 26.369 -2.189 25.354 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 26.527 -3.786 25.911 1.00 51.34 H new ATOM 1209 N ALA A 81 23.413 -5.593 21.281 1.00 25.51 N ATOM 1210 CA ALA A 81 22.157 -4.988 21.705 1.00 23.43 C ATOM 1211 C ALA A 81 21.072 -6.043 21.890 1.00 74.11 C ATOM 1212 O ALA A 81 20.342 -6.031 22.882 1.00 11.21 O ATOM 1213 CB ALA A 81 21.709 -3.940 20.696 1.00 4.11 C ATOM 0 H ALA A 81 23.601 -5.519 20.281 1.00 25.51 H new ATOM 0 HA ALA A 81 22.323 -4.504 22.667 1.00 23.43 H new ATOM 0 HB1 ALA A 81 20.769 -3.496 21.025 1.00 4.11 H new ATOM 0 HB2 ALA A 81 22.469 -3.163 20.617 1.00 4.11 H new ATOM 0 HB3 ALA A 81 21.567 -4.409 19.723 1.00 4.11 H new ATOM 1219 N LEU A 82 20.971 -6.955 20.929 1.00 72.45 N ATOM 1220 CA LEU A 82 19.974 -8.019 20.986 1.00 71.44 C ATOM 1221 C LEU A 82 20.612 -9.341 21.398 1.00 25.04 C ATOM 1222 O LEU A 82 19.926 -10.350 21.556 1.00 54.03 O ATOM 1223 CB LEU A 82 19.286 -8.172 19.628 1.00 34.13 C ATOM 1224 CG LEU A 82 18.648 -6.908 19.052 1.00 12.53 C ATOM 1225 CD1 LEU A 82 17.986 -6.094 20.154 1.00 33.35 C ATOM 1226 CD2 LEU A 82 19.688 -6.071 18.320 1.00 33.50 C ATOM 0 H LEU A 82 21.567 -6.979 20.101 1.00 72.45 H new ATOM 0 HA LEU A 82 19.230 -7.748 21.735 1.00 71.44 H new ATOM 0 HB2 LEU A 82 20.019 -8.543 18.912 1.00 34.13 H new ATOM 0 HB3 LEU A 82 18.514 -8.936 19.719 1.00 34.13 H new ATOM 0 HG LEU A 82 17.881 -7.205 18.337 1.00 12.53 H new ATOM 0 HD11 LEU A 82 17.537 -5.198 19.725 1.00 33.35 H new ATOM 0 HD12 LEU A 82 17.212 -6.693 20.634 1.00 33.35 H new ATOM 0 HD13 LEU A 82 18.734 -5.807 20.893 1.00 33.35 H new ATOM 0 HD21 LEU A 82 19.216 -5.175 17.917 1.00 33.50 H new ATOM 0 HD22 LEU A 82 20.478 -5.784 19.014 1.00 33.50 H new ATOM 0 HD23 LEU A 82 20.116 -6.654 17.505 1.00 33.50 H new ATOM 1238 N GLY A 83 21.930 -9.329 21.572 1.00 74.52 N ATOM 1239 CA GLY A 83 22.639 -10.532 21.967 1.00 61.44 C ATOM 1240 C GLY A 83 22.565 -11.619 20.912 1.00 64.05 C ATOM 1241 O GLY A 83 22.278 -12.776 21.223 1.00 12.21 O ATOM 0 H GLY A 83 22.520 -8.506 21.446 1.00 74.52 H new ATOM 0 HA2 GLY A 83 23.684 -10.288 22.161 1.00 61.44 H new ATOM 0 HA3 GLY A 83 22.221 -10.907 22.901 1.00 61.44 H new ATOM 1245 N ILE A 84 22.824 -11.248 19.663 1.00 55.22 N ATOM 1246 CA ILE A 84 22.786 -12.200 18.561 1.00 13.14 C ATOM 1247 C ILE A 84 24.148 -12.854 18.350 1.00 55.44 C ATOM 1248 O ILE A 84 25.182 -12.284 18.700 1.00 14.52 O ATOM 1249 CB ILE A 84 22.346 -11.525 17.248 1.00 32.24 C ATOM 1250 CG1 ILE A 84 21.119 -10.644 17.490 1.00 51.22 C ATOM 1251 CG2 ILE A 84 22.052 -12.573 16.186 1.00 0.21 C ATOM 1252 CD1 ILE A 84 19.933 -11.399 18.048 1.00 63.44 C ATOM 0 H ILE A 84 23.062 -10.295 19.389 1.00 55.22 H new ATOM 0 HA ILE A 84 22.057 -12.964 18.831 1.00 13.14 H new ATOM 0 HB ILE A 84 23.159 -10.893 16.890 1.00 32.24 H new ATOM 0 HG12 ILE A 84 21.387 -9.844 18.180 1.00 51.22 H new ATOM 0 HG13 ILE A 84 20.830 -10.172 16.551 1.00 51.22 H new ATOM 0 HG21 ILE A 84 21.742 -12.080 15.264 1.00 0.21 H new ATOM 0 HG22 ILE A 84 22.949 -13.163 15.998 1.00 0.21 H new ATOM 0 HG23 ILE A 84 21.253 -13.228 16.533 1.00 0.21 H new ATOM 0 HD11 ILE A 84 19.100 -10.711 18.194 1.00 63.44 H new ATOM 0 HD12 ILE A 84 19.639 -12.182 17.349 1.00 63.44 H new ATOM 0 HD13 ILE A 84 20.204 -11.848 19.003 1.00 63.44 H new ATOM 1264 N SER A 85 24.141 -14.052 17.777 1.00 21.13 N ATOM 1265 CA SER A 85 25.375 -14.785 17.521 1.00 50.52 C ATOM 1266 C SER A 85 26.397 -13.899 16.814 1.00 44.03 C ATOM 1267 O SER A 85 26.059 -12.889 16.197 1.00 31.33 O ATOM 1268 CB SER A 85 25.090 -16.029 16.677 1.00 54.22 C ATOM 1269 OG SER A 85 24.686 -17.116 17.491 1.00 53.22 O ATOM 0 H SER A 85 23.294 -14.537 17.481 1.00 21.13 H new ATOM 0 HA SER A 85 25.790 -15.094 18.480 1.00 50.52 H new ATOM 0 HB2 SER A 85 24.310 -15.807 15.948 1.00 54.22 H new ATOM 0 HB3 SER A 85 25.983 -16.303 16.115 1.00 54.22 H new ATOM 0 HG SER A 85 24.882 -17.959 17.032 1.00 53.22 H new ATOM 1275 N PRO A 86 27.678 -14.285 16.905 1.00 0.11 N ATOM 1276 CA PRO A 86 28.775 -13.541 16.280 1.00 54.45 C ATOM 1277 C PRO A 86 28.751 -13.642 14.759 1.00 45.13 C ATOM 1278 O PRO A 86 28.644 -14.733 14.201 1.00 52.05 O ATOM 1279 CB PRO A 86 30.028 -14.220 16.841 1.00 32.51 C ATOM 1280 CG PRO A 86 29.588 -15.599 17.190 1.00 54.43 C ATOM 1281 CD PRO A 86 28.153 -15.479 17.625 1.00 54.42 C ATOM 0 HA PRO A 86 28.719 -12.474 16.495 1.00 54.45 H new ATOM 0 HB2 PRO A 86 30.833 -14.235 16.106 1.00 32.51 H new ATOM 0 HB3 PRO A 86 30.406 -13.692 17.716 1.00 32.51 H new ATOM 0 HG2 PRO A 86 29.682 -16.267 16.334 1.00 54.43 H new ATOM 0 HG3 PRO A 86 30.204 -16.015 17.987 1.00 54.43 H new ATOM 0 HD2 PRO A 86 27.577 -16.365 17.358 1.00 54.42 H new ATOM 0 HD3 PRO A 86 28.069 -15.357 18.705 1.00 54.42 H new ATOM 1289 N MET A 87 28.853 -12.496 14.094 1.00 52.20 N ATOM 1290 CA MET A 87 28.845 -12.456 12.636 1.00 11.03 C ATOM 1291 C MET A 87 28.985 -11.023 12.131 1.00 60.21 C ATOM 1292 O MET A 87 27.990 -10.326 11.929 1.00 33.13 O ATOM 1293 CB MET A 87 27.555 -13.076 12.095 1.00 52.31 C ATOM 1294 CG MET A 87 26.310 -12.652 12.857 1.00 30.23 C ATOM 1295 SD MET A 87 24.811 -13.426 12.224 1.00 71.42 S ATOM 1296 CE MET A 87 25.253 -15.159 12.335 1.00 23.32 C ATOM 0 H MET A 87 28.942 -11.583 14.541 1.00 52.20 H new ATOM 0 HA MET A 87 29.696 -13.034 12.276 1.00 11.03 H new ATOM 0 HB2 MET A 87 27.441 -12.800 11.047 1.00 52.31 H new ATOM 0 HB3 MET A 87 27.641 -14.162 12.131 1.00 52.31 H new ATOM 0 HG2 MET A 87 26.429 -12.907 13.910 1.00 30.23 H new ATOM 0 HG3 MET A 87 26.206 -11.568 12.801 1.00 30.23 H new ATOM 0 HE1 MET A 87 24.384 -15.772 12.097 1.00 23.32 H new ATOM 0 HE2 MET A 87 26.055 -15.376 11.629 1.00 23.32 H new ATOM 0 HE3 MET A 87 25.590 -15.385 13.347 1.00 23.32 H new ATOM 1306 N HIS A 88 30.226 -10.590 11.930 1.00 53.41 N ATOM 1307 CA HIS A 88 30.495 -9.240 11.448 1.00 33.42 C ATOM 1308 C HIS A 88 30.051 -9.082 9.996 1.00 73.05 C ATOM 1309 O HIS A 88 30.662 -9.641 9.087 1.00 73.13 O ATOM 1310 CB HIS A 88 31.984 -8.918 11.575 1.00 42.20 C ATOM 1311 CG HIS A 88 32.564 -9.282 12.907 1.00 1.22 C ATOM 1312 ND1 HIS A 88 31.860 -9.181 14.087 1.00 11.32 N ATOM 1313 CD2 HIS A 88 33.789 -9.752 13.240 1.00 14.24 C ATOM 1314 CE1 HIS A 88 32.626 -9.571 15.090 1.00 62.14 C ATOM 1315 NE2 HIS A 88 33.803 -9.923 14.602 1.00 62.24 N ATOM 0 H HIS A 88 31.060 -11.154 12.093 1.00 53.41 H new ATOM 0 HA HIS A 88 29.926 -8.542 12.062 1.00 33.42 H new ATOM 0 HB2 HIS A 88 32.530 -9.447 10.794 1.00 42.20 H new ATOM 0 HB3 HIS A 88 32.133 -7.852 11.402 1.00 42.20 H new ATOM 0 HD2 HIS A 88 34.604 -9.955 12.561 1.00 14.24 H new ATOM 0 HE1 HIS A 88 32.340 -9.598 16.131 1.00 62.14 H new ATOM 0 HE2 HIS A 88 34.593 -10.266 15.149 1.00 62.24 H new ATOM 1323 N GLU A 89 28.983 -8.318 9.789 1.00 70.23 N ATOM 1324 CA GLU A 89 28.457 -8.089 8.449 1.00 14.34 C ATOM 1325 C GLU A 89 28.102 -6.618 8.248 1.00 75.32 C ATOM 1326 O GLU A 89 26.931 -6.239 8.291 1.00 72.42 O ATOM 1327 CB GLU A 89 27.223 -8.961 8.205 1.00 53.11 C ATOM 1328 CG GLU A 89 27.527 -10.251 7.462 1.00 61.24 C ATOM 1329 CD GLU A 89 28.463 -11.162 8.232 1.00 1.31 C ATOM 1330 OE1 GLU A 89 28.235 -11.361 9.444 1.00 4.11 O ATOM 1331 OE2 GLU A 89 29.425 -11.674 7.622 1.00 3.31 O1- ATOM 0 H GLU A 89 28.466 -7.848 10.532 1.00 70.23 H new ATOM 0 HA GLU A 89 29.231 -8.360 7.731 1.00 14.34 H new ATOM 0 HB2 GLU A 89 26.764 -9.203 9.164 1.00 53.11 H new ATOM 0 HB3 GLU A 89 26.490 -8.388 7.637 1.00 53.11 H new ATOM 0 HG2 GLU A 89 26.595 -10.779 7.263 1.00 61.24 H new ATOM 0 HG3 GLU A 89 27.971 -10.013 6.496 1.00 61.24 H new ATOM 1338 N HIS A 90 29.122 -5.794 8.027 1.00 74.52 N ATOM 1339 CA HIS A 90 28.918 -4.365 7.818 1.00 55.24 C ATOM 1340 C HIS A 90 29.094 -4.000 6.348 1.00 4.33 C ATOM 1341 O HIS A 90 30.101 -3.406 5.962 1.00 31.43 O ATOM 1342 CB HIS A 90 29.894 -3.559 8.677 1.00 13.21 C ATOM 1343 CG HIS A 90 31.312 -4.030 8.573 1.00 63.34 C ATOM 1344 ND1 HIS A 90 31.814 -5.078 9.315 1.00 35.31 N ATOM 1345 CD2 HIS A 90 32.337 -3.588 7.806 1.00 64.40 C ATOM 1346 CE1 HIS A 90 33.087 -5.260 9.010 1.00 72.11 C ATOM 1347 NE2 HIS A 90 33.428 -4.369 8.098 1.00 23.52 N ATOM 0 H HIS A 90 30.097 -6.091 7.988 1.00 74.52 H new ATOM 0 HA HIS A 90 27.898 -4.121 8.114 1.00 55.24 H new ATOM 0 HB2 HIS A 90 29.845 -2.511 8.382 1.00 13.21 H new ATOM 0 HB3 HIS A 90 29.578 -3.612 9.719 1.00 13.21 H new ATOM 0 HD1 HIS A 90 31.286 -5.627 9.993 1.00 35.31 H new ATOM 0 HD2 HIS A 90 32.303 -2.774 7.097 1.00 64.40 H new ATOM 0 HE1 HIS A 90 33.738 -6.010 9.435 1.00 72.11 H new ATOM 1355 N ALA A 91 28.110 -4.360 5.532 1.00 73.52 N ATOM 1356 CA ALA A 91 28.156 -4.069 4.104 1.00 22.23 C ATOM 1357 C ALA A 91 27.777 -2.619 3.827 1.00 61.21 C ATOM 1358 O ALA A 91 26.742 -2.140 4.288 1.00 23.03 O ATOM 1359 CB ALA A 91 27.236 -5.013 3.343 1.00 3.52 C ATOM 0 H ALA A 91 27.271 -4.854 5.835 1.00 73.52 H new ATOM 0 HA ALA A 91 29.179 -4.221 3.760 1.00 22.23 H new ATOM 0 HB1 ALA A 91 27.280 -4.784 2.278 1.00 3.52 H new ATOM 0 HB2 ALA A 91 27.555 -6.042 3.507 1.00 3.52 H new ATOM 0 HB3 ALA A 91 26.213 -4.889 3.698 1.00 3.52 H new ATOM 1365 N GLU A 92 28.623 -1.924 3.071 1.00 73.32 N ATOM 1366 CA GLU A 92 28.375 -0.528 2.734 1.00 2.25 C ATOM 1367 C GLU A 92 27.934 -0.389 1.280 1.00 25.30 C ATOM 1368 O GLU A 92 28.258 -1.226 0.438 1.00 13.50 O ATOM 1369 CB GLU A 92 29.631 0.310 2.981 1.00 43.31 C ATOM 1370 CG GLU A 92 30.896 -0.305 2.404 1.00 22.11 C ATOM 1371 CD GLU A 92 32.071 0.651 2.423 1.00 21.31 C ATOM 1372 OE1 GLU A 92 32.337 1.244 3.489 1.00 61.05 O ATOM 1373 OE2 GLU A 92 32.726 0.808 1.371 1.00 32.20 O1- ATOM 0 H GLU A 92 29.485 -2.306 2.681 1.00 73.32 H new ATOM 0 HA GLU A 92 27.572 -0.163 3.375 1.00 2.25 H new ATOM 0 HB2 GLU A 92 29.488 1.300 2.548 1.00 43.31 H new ATOM 0 HB3 GLU A 92 29.761 0.447 4.054 1.00 43.31 H new ATOM 0 HG2 GLU A 92 31.152 -1.200 2.971 1.00 22.11 H new ATOM 0 HG3 GLU A 92 30.706 -0.621 1.378 1.00 22.11 H new ATOM 1380 N VAL A 93 27.193 0.677 0.991 1.00 70.21 N ATOM 1381 CA VAL A 93 26.709 0.928 -0.361 1.00 61.32 C ATOM 1382 C VAL A 93 27.321 2.199 -0.937 1.00 43.24 C ATOM 1383 O VAL A 93 27.012 3.306 -0.495 1.00 3.54 O ATOM 1384 CB VAL A 93 25.173 1.051 -0.392 1.00 40.32 C ATOM 1385 CG1 VAL A 93 24.691 1.343 -1.805 1.00 24.13 C ATOM 1386 CG2 VAL A 93 24.527 -0.215 0.150 1.00 41.15 C ATOM 0 H VAL A 93 26.915 1.380 1.676 1.00 70.21 H new ATOM 0 HA VAL A 93 27.011 0.076 -0.969 1.00 61.32 H new ATOM 0 HB VAL A 93 24.878 1.884 0.247 1.00 40.32 H new ATOM 0 HG11 VAL A 93 23.604 1.427 -1.809 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.128 2.279 -2.152 1.00 24.13 H new ATOM 0 HG13 VAL A 93 24.995 0.533 -2.468 1.00 24.13 H new ATOM 0 HG21 VAL A 93 23.442 -0.111 0.121 1.00 41.15 H new ATOM 0 HG22 VAL A 93 24.826 -1.067 -0.461 1.00 41.15 H new ATOM 0 HG23 VAL A 93 24.849 -0.376 1.179 1.00 41.15 H new ATOM 1396 N VAL A 94 28.192 2.033 -1.928 1.00 55.22 N ATOM 1397 CA VAL A 94 28.848 3.168 -2.567 1.00 54.44 C ATOM 1398 C VAL A 94 28.527 3.220 -4.057 1.00 72.33 C ATOM 1399 O VAL A 94 29.003 2.393 -4.835 1.00 31.22 O ATOM 1400 CB VAL A 94 30.376 3.110 -2.384 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.043 4.289 -3.075 1.00 44.32 C ATOM 1402 CG2 VAL A 94 30.734 3.076 -0.905 1.00 32.44 C ATOM 0 H VAL A 94 28.459 1.124 -2.305 1.00 55.22 H new ATOM 0 HA VAL A 94 28.466 4.067 -2.084 1.00 54.44 H new ATOM 0 HB VAL A 94 30.745 2.194 -2.846 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.122 4.230 -2.934 1.00 44.32 H new ATOM 0 HG12 VAL A 94 30.814 4.263 -4.140 1.00 44.32 H new ATOM 0 HG13 VAL A 94 30.671 5.220 -2.646 1.00 44.32 H new ATOM 0 HG21 VAL A 94 31.818 3.035 -0.794 1.00 32.44 H new ATOM 0 HG22 VAL A 94 30.353 3.973 -0.418 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.288 2.195 -0.443 1.00 32.44 H new ATOM 1412 N PHE A 95 27.718 4.199 -4.448 1.00 74.21 N ATOM 1413 CA PHE A 95 27.332 4.360 -5.845 1.00 3.42 C ATOM 1414 C PHE A 95 27.547 5.798 -6.307 1.00 14.12 C ATOM 1415 O PHE A 95 27.183 6.747 -5.611 1.00 41.52 O ATOM 1416 CB PHE A 95 25.868 3.962 -6.041 1.00 1.11 C ATOM 1417 CG PHE A 95 25.668 2.487 -6.238 1.00 21.10 C ATOM 1418 CD1 PHE A 95 26.019 1.880 -7.434 1.00 70.40 C ATOM 1419 CD2 PHE A 95 25.131 1.706 -5.227 1.00 44.02 C ATOM 1420 CE1 PHE A 95 25.835 0.522 -7.617 1.00 25.12 C ATOM 1421 CE2 PHE A 95 24.946 0.347 -5.405 1.00 24.42 C ATOM 1422 CZ PHE A 95 25.300 -0.245 -6.601 1.00 43.33 C ATOM 0 H PHE A 95 27.317 4.893 -3.817 1.00 74.21 H new ATOM 0 HA PHE A 95 27.962 3.706 -6.448 1.00 3.42 H new ATOM 0 HB2 PHE A 95 25.293 4.286 -5.174 1.00 1.11 H new ATOM 0 HB3 PHE A 95 25.468 4.493 -6.905 1.00 1.11 H new ATOM 0 HD1 PHE A 95 26.441 2.474 -8.231 1.00 70.40 H new ATOM 0 HD2 PHE A 95 24.854 2.164 -4.289 1.00 44.02 H new ATOM 0 HE1 PHE A 95 26.110 0.061 -8.554 1.00 25.12 H new ATOM 0 HE2 PHE A 95 24.525 -0.250 -4.610 1.00 24.42 H new ATOM 0 HZ PHE A 95 25.159 -1.306 -6.742 1.00 43.33 H new ATOM 1432 N THR A 96 28.141 5.952 -7.486 1.00 44.40 N ATOM 1433 CA THR A 96 28.406 7.275 -8.041 1.00 34.31 C ATOM 1434 C THR A 96 27.348 7.662 -9.066 1.00 25.23 C ATOM 1435 O THR A 96 26.926 6.839 -9.879 1.00 11.30 O ATOM 1436 CB THR A 96 29.796 7.337 -8.704 1.00 71.34 C ATOM 1437 OG1 THR A 96 29.973 8.601 -9.352 1.00 53.43 O ATOM 1438 CG2 THR A 96 29.962 6.214 -9.717 1.00 41.12 C ATOM 0 H THR A 96 28.448 5.178 -8.075 1.00 44.40 H new ATOM 0 HA THR A 96 28.377 7.979 -7.210 1.00 34.31 H new ATOM 0 HB THR A 96 30.551 7.219 -7.927 1.00 71.34 H new ATOM 0 HG1 THR A 96 30.859 8.633 -9.770 1.00 53.43 H new ATOM 0 HG21 THR A 96 30.950 6.278 -10.172 1.00 41.12 H new ATOM 0 HG22 THR A 96 29.855 5.252 -9.215 1.00 41.12 H new ATOM 0 HG23 THR A 96 29.200 6.306 -10.491 1.00 41.12 H new ATOM 1446 N ALA A 97 26.924 8.921 -9.025 1.00 2.00 N ATOM 1447 CA ALA A 97 25.917 9.418 -9.955 1.00 54.14 C ATOM 1448 C ALA A 97 26.549 9.832 -11.280 1.00 75.12 C ATOM 1449 O ALA A 97 27.731 10.170 -11.335 1.00 3.52 O ATOM 1450 CB ALA A 97 25.163 10.588 -9.339 1.00 3.33 C ATOM 0 H ALA A 97 27.262 9.615 -8.358 1.00 2.00 H new ATOM 0 HA ALA A 97 25.213 8.610 -10.156 1.00 54.14 H new ATOM 0 HB1 ALA A 97 24.414 10.950 -10.044 1.00 3.33 H new ATOM 0 HB2 ALA A 97 24.671 10.262 -8.422 1.00 3.33 H new ATOM 0 HB3 ALA A 97 25.863 11.391 -9.109 1.00 3.33 H new ATOM 1456 N ASN A 98 25.753 9.804 -12.344 1.00 61.44 N ATOM 1457 CA ASN A 98 26.236 10.175 -13.668 1.00 5.53 C ATOM 1458 C ASN A 98 27.344 9.233 -14.128 1.00 5.21 C ATOM 1459 O ASN A 98 28.335 9.665 -14.718 1.00 32.32 O ATOM 1460 CB ASN A 98 26.746 11.617 -13.663 1.00 33.23 C ATOM 1461 CG ASN A 98 25.895 12.528 -12.800 1.00 11.24 C ATOM 1462 OD1 ASN A 98 26.374 13.104 -11.824 1.00 54.42 O ATOM 1463 ND2 ASN A 98 24.623 12.662 -13.158 1.00 42.15 N ATOM 0 H ASN A 98 24.771 9.528 -12.315 1.00 61.44 H new ATOM 0 HA ASN A 98 25.403 10.094 -14.366 1.00 5.53 H new ATOM 0 HB2 ASN A 98 27.774 11.635 -13.301 1.00 33.23 H new ATOM 0 HB3 ASN A 98 26.761 11.998 -14.684 1.00 33.23 H new ATOM 0 HD21 ASN A 98 24.001 13.262 -12.616 1.00 42.15 H new ATOM 0 HD22 ASN A 98 24.268 12.165 -13.975 1.00 42.15 H new ATOM 1470 N ASP A 99 27.170 7.945 -13.853 1.00 51.43 N ATOM 1471 CA ASP A 99 28.156 6.941 -14.238 1.00 34.13 C ATOM 1472 C ASP A 99 27.567 5.965 -15.252 1.00 63.24 C ATOM 1473 O ASP A 99 28.089 5.813 -16.358 1.00 54.14 O ATOM 1474 CB ASP A 99 28.649 6.181 -13.006 1.00 61.02 C ATOM 1475 CG ASP A 99 29.342 4.881 -13.368 1.00 31.11 C ATOM 1476 OD1 ASP A 99 30.432 4.937 -13.974 1.00 64.44 O ATOM 1477 OD2 ASP A 99 28.792 3.808 -13.044 1.00 41.04 O1- ATOM 0 H ASP A 99 26.356 7.571 -13.365 1.00 51.43 H new ATOM 0 HA ASP A 99 29.000 7.453 -14.700 1.00 34.13 H new ATOM 0 HB2 ASP A 99 29.337 6.812 -12.444 1.00 61.02 H new ATOM 0 HB3 ASP A 99 27.804 5.969 -12.351 1.00 61.02 H new ATOM 1482 N SER A 100 26.480 5.304 -14.868 1.00 31.43 N ATOM 1483 CA SER A 100 25.824 4.338 -15.742 1.00 54.41 C ATOM 1484 C SER A 100 24.315 4.562 -15.763 1.00 0.22 C ATOM 1485 O SER A 100 23.709 4.686 -16.827 1.00 0.22 O ATOM 1486 CB SER A 100 26.133 2.911 -15.284 1.00 62.41 C ATOM 1487 OG SER A 100 25.506 1.958 -16.124 1.00 71.24 O ATOM 0 H SER A 100 26.035 5.419 -13.958 1.00 31.43 H new ATOM 0 HA SER A 100 26.209 4.479 -16.752 1.00 54.41 H new ATOM 0 HB2 SER A 100 27.211 2.750 -15.288 1.00 62.41 H new ATOM 0 HB3 SER A 100 25.794 2.774 -14.257 1.00 62.41 H new ATOM 0 HG SER A 100 25.720 1.055 -15.811 1.00 71.24 H new ATOM 1493 N GLY A 101 23.713 4.613 -14.579 1.00 34.22 N ATOM 1494 CA GLY A 101 22.281 4.821 -14.482 1.00 51.22 C ATOM 1495 C GLY A 101 21.651 4.012 -13.366 1.00 34.21 C ATOM 1496 O GLY A 101 20.887 3.076 -13.605 1.00 62.14 O ATOM 0 H GLY A 101 24.193 4.514 -13.684 1.00 34.22 H new ATOM 0 HA2 GLY A 101 22.081 5.880 -14.316 1.00 51.22 H new ATOM 0 HA3 GLY A 101 21.813 4.553 -15.429 1.00 51.22 H new ATOM 1500 N PRO A 102 21.973 4.371 -12.114 1.00 21.34 N ATOM 1501 CA PRO A 102 21.445 3.683 -10.933 1.00 0.44 C ATOM 1502 C PRO A 102 19.956 3.942 -10.729 1.00 41.02 C ATOM 1503 O PRO A 102 19.519 5.091 -10.676 1.00 2.14 O ATOM 1504 CB PRO A 102 22.256 4.283 -9.782 1.00 64.03 C ATOM 1505 CG PRO A 102 22.678 5.623 -10.274 1.00 43.03 C ATOM 1506 CD PRO A 102 22.878 5.476 -11.757 1.00 62.14 C ATOM 0 HA PRO A 102 21.535 2.600 -11.017 1.00 0.44 H new ATOM 0 HB2 PRO A 102 21.656 4.365 -8.876 1.00 64.03 H new ATOM 0 HB3 PRO A 102 23.118 3.661 -9.539 1.00 64.03 H new ATOM 0 HG2 PRO A 102 21.920 6.375 -10.055 1.00 43.03 H new ATOM 0 HG3 PRO A 102 23.598 5.946 -9.786 1.00 43.03 H new ATOM 0 HD2 PRO A 102 22.624 6.392 -12.290 1.00 62.14 H new ATOM 0 HD3 PRO A 102 23.914 5.242 -12.002 1.00 62.14 H new ATOM 1514 N ARG A 103 19.184 2.866 -10.612 1.00 23.34 N ATOM 1515 CA ARG A 103 17.744 2.978 -10.414 1.00 62.04 C ATOM 1516 C ARG A 103 17.365 2.638 -8.976 1.00 14.33 C ATOM 1517 O ARG A 103 16.246 2.200 -8.705 1.00 52.44 O ATOM 1518 CB ARG A 103 17.001 2.055 -11.381 1.00 30.24 C ATOM 1519 CG ARG A 103 16.843 2.636 -12.777 1.00 22.53 C ATOM 1520 CD ARG A 103 15.668 2.010 -13.512 1.00 52.13 C ATOM 1521 NE ARG A 103 15.661 2.356 -14.930 1.00 1.11 N ATOM 1522 CZ ARG A 103 14.813 1.836 -15.810 1.00 54.03 C ATOM 1523 NH1 ARG A 103 13.906 0.951 -15.418 1.00 3.14 N1+ ATOM 1524 NH2 ARG A 103 14.869 2.201 -17.084 1.00 64.44 N ATOM 0 H ARG A 103 19.532 1.908 -10.651 1.00 23.34 H new ATOM 0 HA ARG A 103 17.454 4.010 -10.613 1.00 62.04 H new ATOM 0 HB2 ARG A 103 17.536 1.108 -11.449 1.00 30.24 H new ATOM 0 HB3 ARG A 103 16.014 1.835 -10.974 1.00 30.24 H new ATOM 0 HG2 ARG A 103 16.698 3.714 -12.709 1.00 22.53 H new ATOM 0 HG3 ARG A 103 17.758 2.472 -13.346 1.00 22.53 H new ATOM 0 HD2 ARG A 103 15.709 0.926 -13.404 1.00 52.13 H new ATOM 0 HD3 ARG A 103 14.736 2.341 -13.054 1.00 52.13 H new ATOM 0 HE ARG A 103 16.345 3.035 -15.264 1.00 1.11 H new ATOM 0 HH11 ARG A 103 13.859 0.669 -14.439 1.00 3.14 H new ATOM 0 HH12 ARG A 103 13.256 0.553 -16.096 1.00 3.14 H new ATOM 0 HH21 ARG A 103 15.564 2.882 -17.389 1.00 64.44 H new ATOM 0 HH22 ARG A 103 14.217 1.801 -17.758 1.00 64.44 H new ATOM 1538 N ARG A 104 18.304 2.840 -8.058 1.00 24.02 N ATOM 1539 CA ARG A 104 18.069 2.551 -6.649 1.00 24.20 C ATOM 1540 C ARG A 104 18.630 3.663 -5.765 1.00 1.51 C ATOM 1541 O ARG A 104 19.794 4.042 -5.892 1.00 72.24 O ATOM 1542 CB ARG A 104 18.705 1.213 -6.266 1.00 25.22 C ATOM 1543 CG ARG A 104 20.113 1.032 -6.807 1.00 31.23 C ATOM 1544 CD ARG A 104 20.105 0.345 -8.164 1.00 34.05 C ATOM 1545 NE ARG A 104 20.089 -1.110 -8.041 1.00 31.23 N ATOM 1546 CZ ARG A 104 20.157 -1.936 -9.080 1.00 4.22 C ATOM 1547 NH1 ARG A 104 20.246 -1.452 -10.311 1.00 33.51 N1+ ATOM 1548 NH2 ARG A 104 20.137 -3.249 -8.886 1.00 33.42 N ATOM 0 H ARG A 104 19.235 3.203 -8.265 1.00 24.02 H new ATOM 0 HA ARG A 104 16.992 2.492 -6.492 1.00 24.20 H new ATOM 0 HB2 ARG A 104 18.729 1.129 -5.179 1.00 25.22 H new ATOM 0 HB3 ARG A 104 18.076 0.403 -6.635 1.00 25.22 H new ATOM 0 HG2 ARG A 104 20.599 2.004 -6.893 1.00 31.23 H new ATOM 0 HG3 ARG A 104 20.701 0.443 -6.103 1.00 31.23 H new ATOM 0 HD2 ARG A 104 19.232 0.671 -8.730 1.00 34.05 H new ATOM 0 HD3 ARG A 104 20.984 0.651 -8.730 1.00 34.05 H new ATOM 0 HE ARG A 104 20.022 -1.514 -7.107 1.00 31.23 H new ATOM 0 HH11 ARG A 104 20.262 -0.443 -10.463 1.00 33.51 H new ATOM 0 HH12 ARG A 104 20.298 -2.088 -11.107 1.00 33.51 H new ATOM 0 HH21 ARG A 104 20.069 -3.624 -7.940 1.00 33.42 H new ATOM 0 HH22 ARG A 104 20.189 -3.883 -9.683 1.00 33.42 H new ATOM 1562 N TYR A 105 17.792 4.180 -4.873 1.00 3.31 N ATOM 1563 CA TYR A 105 18.203 5.250 -3.972 1.00 51.11 C ATOM 1564 C TYR A 105 18.250 4.758 -2.529 1.00 4.42 C ATOM 1565 O TYR A 105 18.857 5.392 -1.664 1.00 2.22 O ATOM 1566 CB TYR A 105 17.245 6.438 -4.086 1.00 3.13 C ATOM 1567 CG TYR A 105 15.797 6.072 -3.857 1.00 74.50 C ATOM 1568 CD1 TYR A 105 15.326 5.780 -2.583 1.00 12.00 C ATOM 1569 CD2 TYR A 105 14.898 6.019 -4.915 1.00 22.34 C ATOM 1570 CE1 TYR A 105 14.003 5.443 -2.370 1.00 50.15 C ATOM 1571 CE2 TYR A 105 13.573 5.684 -4.712 1.00 51.10 C ATOM 1572 CZ TYR A 105 13.131 5.397 -3.436 1.00 33.34 C ATOM 1573 OH TYR A 105 11.812 5.065 -3.228 1.00 22.10 O ATOM 0 H TYR A 105 16.826 3.876 -4.755 1.00 3.31 H new ATOM 0 HA TYR A 105 19.204 5.570 -4.261 1.00 51.11 H new ATOM 0 HB2 TYR A 105 17.537 7.200 -3.363 1.00 3.13 H new ATOM 0 HB3 TYR A 105 17.347 6.882 -5.076 1.00 3.13 H new ATOM 0 HD1 TYR A 105 16.006 5.817 -1.745 1.00 12.00 H new ATOM 0 HD2 TYR A 105 15.241 6.244 -5.914 1.00 22.34 H new ATOM 0 HE1 TYR A 105 13.654 5.217 -1.373 1.00 50.15 H new ATOM 0 HE2 TYR A 105 12.888 5.647 -5.546 1.00 51.10 H new ATOM 0 HH TYR A 105 11.755 4.364 -2.546 1.00 22.10 H new ATOM 1583 N THR A 106 17.606 3.624 -2.276 1.00 40.24 N ATOM 1584 CA THR A 106 17.574 3.045 -0.938 1.00 32.41 C ATOM 1585 C THR A 106 18.780 2.142 -0.700 1.00 71.02 C ATOM 1586 O THR A 106 19.177 1.378 -1.580 1.00 75.23 O ATOM 1587 CB THR A 106 16.286 2.232 -0.709 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.141 3.081 -0.846 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.288 1.593 0.671 1.00 12.31 C ATOM 0 H THR A 106 17.099 3.087 -2.980 1.00 40.24 H new ATOM 0 HA THR A 106 17.601 3.876 -0.233 1.00 32.41 H new ATOM 0 HB THR A 106 16.243 1.441 -1.458 1.00 75.32 H new ATOM 0 HG1 THR A 106 15.342 3.802 -1.478 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.369 1.024 0.810 1.00 12.31 H new ATOM 0 HG22 THR A 106 17.145 0.926 0.762 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.352 2.371 1.432 1.00 12.31 H new ATOM 1597 N ILE A 107 19.356 2.236 0.494 1.00 54.05 N ATOM 1598 CA ILE A 107 20.515 1.426 0.848 1.00 74.20 C ATOM 1599 C ILE A 107 20.089 0.070 1.399 1.00 63.32 C ATOM 1600 O ILE A 107 19.547 -0.022 2.500 1.00 31.52 O ATOM 1601 CB ILE A 107 21.401 2.136 1.887 1.00 44.44 C ATOM 1602 CG1 ILE A 107 21.929 3.456 1.324 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.553 1.234 2.306 1.00 44.24 C ATOM 1604 CD1 ILE A 107 21.093 4.656 1.709 1.00 32.11 C ATOM 0 H ILE A 107 19.039 2.865 1.232 1.00 54.05 H new ATOM 0 HA ILE A 107 21.090 1.279 -0.066 1.00 74.20 H new ATOM 0 HB ILE A 107 20.797 2.355 2.768 1.00 44.44 H new ATOM 0 HG12 ILE A 107 22.950 3.608 1.674 1.00 42.14 H new ATOM 0 HG13 ILE A 107 21.971 3.387 0.237 1.00 42.14 H new ATOM 0 HG21 ILE A 107 23.171 1.750 3.041 1.00 44.24 H new ATOM 0 HG22 ILE A 107 22.157 0.318 2.744 1.00 44.24 H new ATOM 0 HG23 ILE A 107 23.158 0.987 1.433 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.527 5.556 1.275 1.00 32.11 H new ATOM 0 HD12 ILE A 107 20.077 4.527 1.336 1.00 32.11 H new ATOM 0 HD13 ILE A 107 21.071 4.751 2.795 1.00 32.11 H new ATOM 1616 N ALA A 108 20.342 -0.983 0.627 1.00 21.23 N ATOM 1617 CA ALA A 108 19.989 -2.335 1.039 1.00 2.35 C ATOM 1618 C ALA A 108 21.148 -3.006 1.769 1.00 63.45 C ATOM 1619 O ALA A 108 22.179 -3.308 1.170 1.00 51.45 O ATOM 1620 CB ALA A 108 19.572 -3.163 -0.167 1.00 32.14 C ATOM 0 H ALA A 108 20.790 -0.924 -0.287 1.00 21.23 H new ATOM 0 HA ALA A 108 19.148 -2.270 1.729 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.311 -4.171 0.156 1.00 32.14 H new ATOM 0 HB2 ALA A 108 18.709 -2.700 -0.645 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.397 -3.212 -0.878 1.00 32.14 H new ATOM 1626 N ALA A 109 20.970 -3.236 3.067 1.00 63.22 N ATOM 1627 CA ALA A 109 22.001 -3.873 3.877 1.00 54.44 C ATOM 1628 C ALA A 109 21.460 -5.117 4.573 1.00 42.04 C ATOM 1629 O ALA A 109 20.615 -5.025 5.462 1.00 35.23 O ATOM 1630 CB ALA A 109 22.549 -2.890 4.900 1.00 2.42 C ATOM 0 H ALA A 109 20.122 -2.991 3.579 1.00 63.22 H new ATOM 0 HA ALA A 109 22.811 -4.181 3.216 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.318 -3.378 5.498 1.00 2.42 H new ATOM 0 HB2 ALA A 109 22.980 -2.032 4.385 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.742 -2.554 5.551 1.00 2.42 H new ATOM 1636 N MET A 110 21.954 -6.280 4.163 1.00 0.21 N ATOM 1637 CA MET A 110 21.521 -7.544 4.748 1.00 34.20 C ATOM 1638 C MET A 110 22.603 -8.121 5.656 1.00 44.24 C ATOM 1639 O MET A 110 23.758 -8.259 5.253 1.00 31.10 O ATOM 1640 CB MET A 110 21.174 -8.548 3.648 1.00 34.11 C ATOM 1641 CG MET A 110 19.880 -8.225 2.918 1.00 44.03 C ATOM 1642 SD MET A 110 19.250 -9.623 1.970 1.00 11.42 S ATOM 1643 CE MET A 110 18.398 -10.543 3.248 1.00 12.22 C ATOM 0 H MET A 110 22.655 -6.374 3.428 1.00 0.21 H new ATOM 0 HA MET A 110 20.631 -7.352 5.348 1.00 34.20 H new ATOM 0 HB2 MET A 110 21.990 -8.581 2.927 1.00 34.11 H new ATOM 0 HB3 MET A 110 21.096 -9.543 4.087 1.00 34.11 H new ATOM 0 HG2 MET A 110 19.127 -7.913 3.642 1.00 44.03 H new ATOM 0 HG3 MET A 110 20.046 -7.382 2.248 1.00 44.03 H new ATOM 0 HE1 MET A 110 18.800 -11.555 3.297 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.541 -10.049 4.209 1.00 12.22 H new ATOM 0 HE3 MET A 110 17.334 -10.586 3.017 1.00 12.22 H new ATOM 1653 N LEU A 111 22.220 -8.457 6.884 1.00 51.13 N ATOM 1654 CA LEU A 111 23.158 -9.020 7.850 1.00 21.14 C ATOM 1655 C LEU A 111 23.261 -10.534 7.690 1.00 54.03 C ATOM 1656 O LEU A 111 22.750 -11.291 8.515 1.00 63.05 O ATOM 1657 CB LEU A 111 22.722 -8.675 9.275 1.00 12.44 C ATOM 1658 CG LEU A 111 22.568 -7.187 9.588 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.711 -6.391 8.976 1.00 71.33 C ATOM 1660 CD2 LEU A 111 21.228 -6.670 9.083 1.00 62.42 C ATOM 0 H LEU A 111 21.268 -8.349 7.234 1.00 51.13 H new ATOM 0 HA LEU A 111 24.140 -8.585 7.662 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.770 -9.168 9.471 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.449 -9.098 9.968 1.00 12.44 H new ATOM 0 HG LEU A 111 22.600 -7.059 10.670 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.584 -5.334 9.209 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.659 -6.742 9.385 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.710 -6.526 7.894 1.00 71.33 H new ATOM 0 HD21 LEU A 111 21.137 -5.609 9.315 1.00 62.42 H new ATOM 0 HD22 LEU A 111 21.166 -6.812 8.004 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.420 -7.218 9.568 1.00 62.42 H new ATOM 1672 N SER A 112 23.928 -10.966 6.624 1.00 54.12 N ATOM 1673 CA SER A 112 24.098 -12.389 6.355 1.00 12.24 C ATOM 1674 C SER A 112 24.641 -13.114 7.583 1.00 22.43 C ATOM 1675 O SER A 112 25.208 -12.507 8.492 1.00 1.40 O ATOM 1676 CB SER A 112 25.039 -12.597 5.168 1.00 43.45 C ATOM 1677 OG SER A 112 26.321 -13.017 5.601 1.00 13.22 O ATOM 0 H SER A 112 24.359 -10.351 5.933 1.00 54.12 H new ATOM 0 HA SER A 112 23.121 -12.806 6.112 1.00 12.24 H new ATOM 0 HB2 SER A 112 24.618 -13.341 4.492 1.00 43.45 H new ATOM 0 HB3 SER A 112 25.128 -11.669 4.604 1.00 43.45 H new ATOM 0 HG SER A 112 26.903 -13.145 4.823 1.00 13.22 H new ATOM 1683 N PRO A 113 24.464 -14.442 7.611 1.00 22.02 N ATOM 1684 CA PRO A 113 24.930 -15.280 8.721 1.00 43.14 C ATOM 1685 C PRO A 113 26.451 -15.382 8.772 1.00 2.12 C ATOM 1686 O PRO A 113 27.156 -14.607 8.126 1.00 12.34 O ATOM 1687 CB PRO A 113 24.311 -16.646 8.418 1.00 50.43 C ATOM 1688 CG PRO A 113 24.108 -16.653 6.943 1.00 10.11 C ATOM 1689 CD PRO A 113 23.797 -15.232 6.563 1.00 23.20 C ATOM 0 HA PRO A 113 24.641 -14.872 9.689 1.00 43.14 H new ATOM 0 HB2 PRO A 113 24.969 -17.457 8.731 1.00 50.43 H new ATOM 0 HB3 PRO A 113 23.368 -16.779 8.948 1.00 50.43 H new ATOM 0 HG2 PRO A 113 25.000 -17.009 6.428 1.00 10.11 H new ATOM 0 HG3 PRO A 113 23.292 -17.319 6.664 1.00 10.11 H new ATOM 0 HD2 PRO A 113 24.180 -14.989 5.572 1.00 23.20 H new ATOM 0 HD3 PRO A 113 22.723 -15.048 6.544 1.00 23.20 H new ATOM 1697 N TYR A 114 26.949 -16.343 9.541 1.00 23.50 N ATOM 1698 CA TYR A 114 28.386 -16.547 9.676 1.00 1.14 C ATOM 1699 C TYR A 114 29.066 -16.560 8.310 1.00 43.00 C ATOM 1700 O TYR A 114 28.896 -17.497 7.529 1.00 5.21 O ATOM 1701 CB TYR A 114 28.671 -17.856 10.414 1.00 52.22 C ATOM 1702 CG TYR A 114 27.884 -18.013 11.695 1.00 0.42 C ATOM 1703 CD1 TYR A 114 28.168 -17.229 12.807 1.00 13.42 C ATOM 1704 CD2 TYR A 114 26.859 -18.944 11.794 1.00 43.22 C ATOM 1705 CE1 TYR A 114 27.452 -17.369 13.980 1.00 52.31 C ATOM 1706 CE2 TYR A 114 26.137 -19.090 12.964 1.00 31.41 C ATOM 1707 CZ TYR A 114 26.438 -18.301 14.054 1.00 63.53 C ATOM 1708 OH TYR A 114 25.722 -18.445 15.221 1.00 74.32 O ATOM 0 H TYR A 114 26.378 -16.994 10.081 1.00 23.50 H new ATOM 0 HA TYR A 114 28.791 -15.717 10.255 1.00 1.14 H new ATOM 0 HB2 TYR A 114 28.444 -18.693 9.753 1.00 52.22 H new ATOM 0 HB3 TYR A 114 29.735 -17.910 10.643 1.00 52.22 H new ATOM 0 HD1 TYR A 114 28.962 -16.498 12.753 1.00 13.42 H new ATOM 0 HD2 TYR A 114 26.622 -19.565 10.943 1.00 43.22 H new ATOM 0 HE1 TYR A 114 27.685 -16.752 14.835 1.00 52.31 H new ATOM 0 HE2 TYR A 114 25.342 -19.818 13.024 1.00 31.41 H new ATOM 0 HH TYR A 114 25.044 -19.143 15.105 1.00 74.32 H new ATOM 1718 N SER A 115 29.838 -15.514 8.030 1.00 75.00 N ATOM 1719 CA SER A 115 30.540 -15.403 6.757 1.00 11.22 C ATOM 1720 C SER A 115 31.501 -16.573 6.564 1.00 71.44 C ATOM 1721 O SER A 115 32.588 -16.600 7.142 1.00 23.43 O ATOM 1722 CB SER A 115 31.308 -14.082 6.689 1.00 64.23 C ATOM 1723 OG SER A 115 32.468 -14.206 5.883 1.00 63.14 O ATOM 0 H SER A 115 29.993 -14.733 8.667 1.00 75.00 H new ATOM 0 HA SER A 115 29.800 -15.427 5.957 1.00 11.22 H new ATOM 0 HB2 SER A 115 30.662 -13.303 6.284 1.00 64.23 H new ATOM 0 HB3 SER A 115 31.592 -13.771 7.694 1.00 64.23 H new ATOM 0 HG SER A 115 33.266 -14.162 6.450 1.00 63.14 H new ATOM 1729 N TYR A 116 31.092 -17.538 5.748 1.00 41.15 N ATOM 1730 CA TYR A 116 31.914 -18.712 5.479 1.00 60.33 C ATOM 1731 C TYR A 116 33.034 -18.379 4.496 1.00 73.11 C ATOM 1732 O TYR A 116 34.083 -19.023 4.492 1.00 43.34 O ATOM 1733 CB TYR A 116 31.053 -19.847 4.924 1.00 52.20 C ATOM 1734 CG TYR A 116 30.257 -19.459 3.698 1.00 62.23 C ATOM 1735 CD1 TYR A 116 30.855 -19.404 2.445 1.00 50.21 C ATOM 1736 CD2 TYR A 116 28.906 -19.149 3.794 1.00 64.02 C ATOM 1737 CE1 TYR A 116 30.130 -19.050 1.323 1.00 70.32 C ATOM 1738 CE2 TYR A 116 28.173 -18.795 2.677 1.00 12.14 C ATOM 1739 CZ TYR A 116 28.790 -18.746 1.444 1.00 0.53 C ATOM 1740 OH TYR A 116 28.065 -18.394 0.329 1.00 30.40 O ATOM 0 H TYR A 116 30.196 -17.530 5.261 1.00 41.15 H new ATOM 0 HA TYR A 116 32.364 -19.033 6.419 1.00 60.33 H new ATOM 0 HB2 TYR A 116 31.696 -20.692 4.677 1.00 52.20 H new ATOM 0 HB3 TYR A 116 30.367 -20.185 5.701 1.00 52.20 H new ATOM 0 HD1 TYR A 116 31.904 -19.642 2.346 1.00 50.21 H new ATOM 0 HD2 TYR A 116 28.420 -19.185 4.758 1.00 64.02 H new ATOM 0 HE1 TYR A 116 30.610 -19.012 0.356 1.00 70.32 H new ATOM 0 HE2 TYR A 116 27.123 -18.558 2.769 1.00 12.14 H new ATOM 0 HH TYR A 116 27.137 -18.212 0.586 1.00 30.40 H new ATOM 1750 N SER A 117 32.802 -17.369 3.664 1.00 25.22 N ATOM 1751 CA SER A 117 33.788 -16.952 2.674 1.00 25.44 C ATOM 1752 C SER A 117 33.586 -15.489 2.291 1.00 44.43 C ATOM 1753 O SER A 117 32.627 -15.141 1.602 1.00 74.44 O ATOM 1754 CB SER A 117 33.695 -17.835 1.428 1.00 52.34 C ATOM 1755 OG SER A 117 34.787 -17.601 0.555 1.00 35.54 O ATOM 0 H SER A 117 31.940 -16.824 3.656 1.00 25.22 H new ATOM 0 HA SER A 117 34.779 -17.061 3.115 1.00 25.44 H new ATOM 0 HB2 SER A 117 33.679 -18.884 1.722 1.00 52.34 H new ATOM 0 HB3 SER A 117 32.759 -17.636 0.906 1.00 52.34 H new ATOM 0 HG SER A 117 34.706 -18.178 -0.233 1.00 35.54 H new ATOM 1761 N THR A 118 34.500 -14.634 2.741 1.00 33.43 N ATOM 1762 CA THR A 118 34.424 -13.209 2.447 1.00 53.23 C ATOM 1763 C THR A 118 34.847 -12.920 1.011 1.00 74.11 C ATOM 1764 O THR A 118 35.901 -13.370 0.560 1.00 53.14 O ATOM 1765 CB THR A 118 35.310 -12.390 3.405 1.00 13.15 C ATOM 1766 OG1 THR A 118 36.680 -12.778 3.259 1.00 55.10 O ATOM 1767 CG2 THR A 118 34.872 -12.589 4.849 1.00 63.23 C ATOM 0 H THR A 118 35.302 -14.905 3.311 1.00 33.43 H new ATOM 0 HA THR A 118 33.384 -12.914 2.583 1.00 53.23 H new ATOM 0 HB THR A 118 35.203 -11.335 3.151 1.00 13.15 H new ATOM 0 HG1 THR A 118 36.840 -13.072 2.338 1.00 55.10 H new ATOM 0 HG21 THR A 118 35.512 -12.001 5.508 1.00 63.23 H new ATOM 0 HG22 THR A 118 33.838 -12.265 4.963 1.00 63.23 H new ATOM 0 HG23 THR A 118 34.953 -13.644 5.112 1.00 63.23 H new ATOM 1775 N THR A 119 34.018 -12.166 0.295 1.00 11.45 N ATOM 1776 CA THR A 119 34.306 -11.817 -1.090 1.00 25.02 C ATOM 1777 C THR A 119 34.645 -10.338 -1.226 1.00 41.31 C ATOM 1778 O THR A 119 35.427 -9.948 -2.092 1.00 44.13 O ATOM 1779 CB THR A 119 33.117 -12.147 -2.011 1.00 11.34 C ATOM 1780 OG1 THR A 119 31.954 -11.427 -1.586 1.00 72.04 O ATOM 1781 CG2 THR A 119 32.825 -13.641 -2.004 1.00 25.02 C ATOM 0 H THR A 119 33.142 -11.786 0.652 1.00 11.45 H new ATOM 0 HA THR A 119 35.167 -12.413 -1.393 1.00 25.02 H new ATOM 0 HB THR A 119 33.378 -11.849 -3.026 1.00 11.34 H new ATOM 0 HG1 THR A 119 31.203 -11.641 -2.178 1.00 72.04 H new ATOM 0 HG21 THR A 119 31.981 -13.850 -2.662 1.00 25.02 H new ATOM 0 HG22 THR A 119 33.702 -14.185 -2.355 1.00 25.02 H new ATOM 0 HG23 THR A 119 32.582 -13.960 -0.990 1.00 25.02 H new ATOM 1789 N ALA A 120 34.050 -9.518 -0.365 1.00 13.22 N ATOM 1790 CA ALA A 120 34.291 -8.081 -0.388 1.00 52.22 C ATOM 1791 C ALA A 120 34.199 -7.486 1.013 1.00 55.15 C ATOM 1792 O ALA A 120 33.112 -7.373 1.581 1.00 65.21 O ATOM 1793 CB ALA A 120 33.303 -7.395 -1.320 1.00 42.50 C ATOM 0 H ALA A 120 33.398 -9.825 0.357 1.00 13.22 H new ATOM 0 HA ALA A 120 35.302 -7.913 -0.760 1.00 52.22 H new ATOM 0 HB1 ALA A 120 33.495 -6.322 -1.327 1.00 42.50 H new ATOM 0 HB2 ALA A 120 33.419 -7.791 -2.329 1.00 42.50 H new ATOM 0 HB3 ALA A 120 32.287 -7.580 -0.972 1.00 42.50 H new ATOM 1799 N VAL A 121 35.346 -7.109 1.568 1.00 4.12 N ATOM 1800 CA VAL A 121 35.394 -6.525 2.904 1.00 43.11 C ATOM 1801 C VAL A 121 35.943 -5.103 2.863 1.00 30.44 C ATOM 1802 O VAL A 121 36.260 -4.579 1.795 1.00 24.04 O ATOM 1803 CB VAL A 121 36.262 -7.371 3.854 1.00 72.25 C ATOM 1804 CG1 VAL A 121 35.652 -8.751 4.049 1.00 1.23 C ATOM 1805 CG2 VAL A 121 37.684 -7.478 3.324 1.00 33.31 C ATOM 0 H VAL A 121 36.255 -7.197 1.114 1.00 4.12 H new ATOM 0 HA VAL A 121 34.370 -6.505 3.278 1.00 43.11 H new ATOM 0 HB VAL A 121 36.297 -6.875 4.824 1.00 72.25 H new ATOM 0 HG11 VAL A 121 36.279 -9.334 4.723 1.00 1.23 H new ATOM 0 HG12 VAL A 121 34.655 -8.651 4.477 1.00 1.23 H new ATOM 0 HG13 VAL A 121 35.584 -9.258 3.087 1.00 1.23 H new ATOM 0 HG21 VAL A 121 38.283 -8.079 4.008 1.00 33.31 H new ATOM 0 HG22 VAL A 121 37.672 -7.950 2.342 1.00 33.31 H new ATOM 0 HG23 VAL A 121 38.118 -6.481 3.242 1.00 33.31 H new ATOM 1815 N VAL A 122 36.054 -4.483 4.033 1.00 21.23 N ATOM 1816 CA VAL A 122 36.565 -3.122 4.132 1.00 51.40 C ATOM 1817 C VAL A 122 37.892 -3.087 4.884 1.00 21.04 C ATOM 1818 O VAL A 122 38.760 -2.263 4.596 1.00 52.34 O ATOM 1819 CB VAL A 122 35.561 -2.195 4.841 1.00 74.35 C ATOM 1820 CG1 VAL A 122 35.304 -2.673 6.263 1.00 52.43 C ATOM 1821 CG2 VAL A 122 36.067 -0.760 4.838 1.00 10.13 C ATOM 0 H VAL A 122 35.796 -4.902 4.926 1.00 21.23 H new ATOM 0 HA VAL A 122 36.718 -2.767 3.113 1.00 51.40 H new ATOM 0 HB VAL A 122 34.618 -2.226 4.296 1.00 74.35 H new ATOM 0 HG11 VAL A 122 34.592 -2.005 6.748 1.00 52.43 H new ATOM 0 HG12 VAL A 122 34.896 -3.683 6.239 1.00 52.43 H new ATOM 0 HG13 VAL A 122 36.240 -2.673 6.822 1.00 52.43 H new ATOM 0 HG21 VAL A 122 35.345 -0.119 5.343 1.00 10.13 H new ATOM 0 HG22 VAL A 122 37.023 -0.710 5.359 1.00 10.13 H new ATOM 0 HG23 VAL A 122 36.196 -0.422 3.810 1.00 10.13 H new ATOM 1831 N THR A 123 38.042 -3.989 5.850 1.00 54.15 N ATOM 1832 CA THR A 123 39.262 -4.061 6.644 1.00 30.41 C ATOM 1833 C THR A 123 40.284 -4.991 5.999 1.00 22.22 C ATOM 1834 O THR A 123 39.922 -5.980 5.363 1.00 52.11 O ATOM 1835 CB THR A 123 38.972 -4.549 8.076 1.00 20.34 C ATOM 1836 OG1 THR A 123 37.906 -5.505 8.061 1.00 33.22 O ATOM 1837 CG2 THR A 123 38.601 -3.384 8.981 1.00 21.05 C ATOM 0 H THR A 123 37.334 -4.679 6.101 1.00 54.15 H new ATOM 0 HA THR A 123 39.671 -3.051 6.688 1.00 30.41 H new ATOM 0 HB THR A 123 39.876 -5.018 8.466 1.00 20.34 H new ATOM 0 HG1 THR A 123 37.729 -5.812 8.975 1.00 33.22 H new ATOM 0 HG21 THR A 123 38.401 -3.754 9.987 1.00 21.05 H new ATOM 0 HG22 THR A 123 39.426 -2.672 9.014 1.00 21.05 H new ATOM 0 HG23 THR A 123 37.710 -2.890 8.592 1.00 21.05 H new ATOM 1845 N ASN A 124 41.561 -4.667 6.169 1.00 75.41 N ATOM 1846 CA ASN A 124 42.636 -5.475 5.604 1.00 53.22 C ATOM 1847 C ASN A 124 42.492 -5.587 4.088 1.00 22.31 C ATOM 1848 O ASN A 124 42.185 -6.648 3.546 1.00 32.20 O ATOM 1849 CB ASN A 124 42.638 -6.870 6.231 1.00 13.12 C ATOM 1850 CG ASN A 124 43.138 -6.859 7.663 1.00 63.22 C ATOM 1851 OD1 ASN A 124 42.884 -5.916 8.413 1.00 54.42 O ATOM 1852 ND2 ASN A 124 43.851 -7.910 8.049 1.00 64.04 N ATOM 0 H ASN A 124 41.877 -3.851 6.693 1.00 75.41 H new ATOM 0 HA ASN A 124 43.583 -4.983 5.827 1.00 53.22 H new ATOM 0 HB2 ASN A 124 41.628 -7.279 6.205 1.00 13.12 H new ATOM 0 HB3 ASN A 124 43.266 -7.533 5.635 1.00 13.12 H new ATOM 0 HD21 ASN A 124 44.213 -7.959 9.001 1.00 64.04 H new ATOM 0 HD22 ASN A 124 44.037 -8.669 7.393 1.00 64.04 H new ATOM 1859 N PRO A 125 42.720 -4.465 3.388 1.00 24.52 N ATOM 1860 CA PRO A 125 42.624 -4.412 1.926 1.00 24.42 C ATOM 1861 C PRO A 125 43.747 -5.185 1.243 1.00 35.53 C ATOM 1862 O PRO A 125 44.569 -5.820 1.902 1.00 10.22 O ATOM 1863 CB PRO A 125 42.739 -2.917 1.618 1.00 72.35 C ATOM 1864 CG PRO A 125 43.493 -2.349 2.770 1.00 62.25 C ATOM 1865 CD PRO A 125 43.092 -3.164 3.970 1.00 3.25 C ATOM 0 HA PRO A 125 41.703 -4.867 1.561 1.00 24.42 H new ATOM 0 HB2 PRO A 125 43.264 -2.746 0.678 1.00 72.35 H new ATOM 0 HB3 PRO A 125 41.756 -2.456 1.522 1.00 72.35 H new ATOM 0 HG2 PRO A 125 44.568 -2.408 2.600 1.00 62.25 H new ATOM 0 HG3 PRO A 125 43.250 -1.296 2.914 1.00 62.25 H new ATOM 0 HD2 PRO A 125 43.912 -3.262 4.682 1.00 3.25 H new ATOM 0 HD3 PRO A 125 42.258 -2.709 4.504 1.00 3.25 H new ATOM 1873 N LYS A 126 43.776 -5.128 -0.085 1.00 63.33 N ATOM 1874 CA LYS A 126 44.798 -5.821 -0.859 1.00 0.11 C ATOM 1875 C LYS A 126 46.170 -5.193 -0.633 1.00 52.52 C ATOM 1876 O LYS A 126 47.192 -5.761 -1.018 1.00 75.10 O ATOM 1877 CB LYS A 126 44.449 -5.787 -2.348 1.00 43.13 C ATOM 1878 CG LYS A 126 44.945 -4.541 -3.062 1.00 31.53 C ATOM 1879 CD LYS A 126 44.283 -3.287 -2.518 1.00 32.21 C ATOM 1880 CE LYS A 126 42.811 -3.224 -2.894 1.00 52.15 C ATOM 1881 NZ LYS A 126 41.966 -2.767 -1.756 1.00 22.22 N1+ ATOM 0 H LYS A 126 43.102 -4.608 -0.647 1.00 63.33 H new ATOM 0 HA LYS A 126 44.832 -6.858 -0.524 1.00 0.11 H new ATOM 0 HB2 LYS A 126 44.874 -6.666 -2.832 1.00 43.13 H new ATOM 0 HB3 LYS A 126 43.367 -5.853 -2.460 1.00 43.13 H new ATOM 0 HG2 LYS A 126 46.026 -4.461 -2.948 1.00 31.53 H new ATOM 0 HG3 LYS A 126 44.742 -4.627 -4.129 1.00 31.53 H new ATOM 0 HD2 LYS A 126 44.383 -3.263 -1.433 1.00 32.21 H new ATOM 0 HD3 LYS A 126 44.796 -2.407 -2.905 1.00 32.21 H new ATOM 0 HE2 LYS A 126 42.681 -2.547 -3.738 1.00 52.15 H new ATOM 0 HE3 LYS A 126 42.477 -4.209 -3.221 1.00 52.15 H new ATOM 0 HZ1 LYS A 126 41.134 -2.262 -2.122 1.00 22.22 H new ATOM 0 HZ2 LYS A 126 41.655 -3.590 -1.202 1.00 22.22 H new ATOM 0 HZ3 LYS A 126 42.518 -2.129 -1.148 1.00 22.22 H new ATOM 1895 N GLU A 127 46.184 -4.022 -0.007 1.00 3.11 N ATOM 1896 CA GLU A 127 47.432 -3.319 0.271 1.00 3.11 C ATOM 1897 C GLU A 127 47.762 -3.363 1.760 1.00 14.11 C ATOM 1898 O GLU A 127 47.289 -2.531 2.534 1.00 23.13 O ATOM 1899 CB GLU A 127 47.340 -1.867 -0.201 1.00 11.02 C ATOM 1900 CG GLU A 127 47.783 -1.665 -1.640 1.00 14.01 C ATOM 1901 CD GLU A 127 49.246 -1.999 -1.853 1.00 3.05 C ATOM 1902 OE1 GLU A 127 50.104 -1.316 -1.257 1.00 25.34 O1- ATOM 1903 OE2 GLU A 127 49.533 -2.944 -2.618 1.00 15.22 O ATOM 0 H GLU A 127 45.346 -3.539 0.318 1.00 3.11 H new ATOM 0 HA GLU A 127 48.232 -3.821 -0.274 1.00 3.11 H new ATOM 0 HB2 GLU A 127 46.311 -1.524 -0.095 1.00 11.02 H new ATOM 0 HB3 GLU A 127 47.952 -1.243 0.450 1.00 11.02 H new ATOM 0 HG2 GLU A 127 47.173 -2.288 -2.295 1.00 14.01 H new ATOM 0 HG3 GLU A 127 47.605 -0.629 -1.929 1.00 14.01 H new TER 1910 GLU A 127