USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 943 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-0.29) USER MOD Set 1.2: A 46 SER OG : rot 57:sc= 0.0124 USER MOD Set 2.1: A 8 SER OG : rot -146:sc= 0.506 USER MOD Set 2.2: A 106 THR OG1 : rot -130:sc= 1.51 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0582 (180deg=-1.48!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -140:sc= 0.0165 USER MOD Single : A 13 MET CE :methyl 149:sc= -3.05 (180deg=-6.42!) USER MOD Single : A 15 LYS NZ :NH3+ 160:sc= -0.0455 (180deg=-0.313) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.38! K(o=-3.4!,f=-0.35) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.0211 (180deg=-0.201) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.706 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 122:sc= 0.0858 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 162:sc= -0.713 USER MOD Single : A 56 HIS : no HD1:sc= -1.04 X(o=-1,f=-1) USER MOD Single : A 59 THR OG1 : rot -167:sc= 0.552! USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 21:sc= 1.26 USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= 0.133 (180deg=0.0632) USER MOD Single : A 75 THR OG1 : rot 89:sc= 1.54 USER MOD Single : A 76 LYS NZ :NH3+ -113:sc= 0.0609 (180deg=-0.0859) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 130:sc= -0.512 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.00099) USER MOD Single : A 90 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.011) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -162:sc= 0 (180deg=-0.512) USER MOD Single : A 112 SER OG : rot 138:sc= 0.675 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0.00808 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -148:sc= -3! (180deg=-4.89!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -1.32 K(o=-1.3,f=-5.4!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.349 -7.093 -9.894 1.00 74.13 N ATOM 2 CA GLY A 1 3.900 -7.021 -9.909 1.00 34.14 C ATOM 3 C GLY A 1 3.384 -5.637 -9.565 1.00 1.51 C ATOM 4 O GLY A 1 4.137 -4.757 -9.147 1.00 72.31 O ATOM 0 H1 GLY A 1 5.698 -7.273 -10.857 1.00 74.13 H new ATOM 0 H2 GLY A 1 5.738 -6.193 -9.547 1.00 74.13 H new ATOM 0 H3 GLY A 1 5.652 -7.865 -9.267 1.00 74.13 H new ATOM 0 HA2 GLY A 1 3.535 -7.306 -10.896 1.00 34.14 H new ATOM 0 HA3 GLY A 1 3.496 -7.743 -9.199 1.00 34.14 H new ATOM 8 N PRO A 2 2.071 -5.429 -9.743 1.00 21.03 N ATOM 9 CA PRO A 2 1.427 -4.143 -9.456 1.00 2.31 C ATOM 10 C PRO A 2 1.372 -3.844 -7.962 1.00 61.30 C ATOM 11 O PRO A 2 1.605 -2.713 -7.535 1.00 14.21 O ATOM 12 CB PRO A 2 0.014 -4.321 -10.019 1.00 23.42 C ATOM 13 CG PRO A 2 -0.223 -5.791 -9.989 1.00 33.11 C ATOM 14 CD PRO A 2 1.114 -6.432 -10.238 1.00 34.03 C ATOM 0 HA PRO A 2 1.972 -3.307 -9.893 1.00 2.31 H new ATOM 0 HB2 PRO A 2 -0.722 -3.789 -9.416 1.00 23.42 H new ATOM 0 HB3 PRO A 2 -0.060 -3.929 -11.033 1.00 23.42 H new ATOM 0 HG2 PRO A 2 -0.631 -6.101 -9.027 1.00 33.11 H new ATOM 0 HG3 PRO A 2 -0.945 -6.085 -10.751 1.00 33.11 H new ATOM 0 HD2 PRO A 2 1.212 -7.378 -9.705 1.00 34.03 H new ATOM 0 HD3 PRO A 2 1.267 -6.645 -11.296 1.00 34.03 H new ATOM 22 N THR A 3 1.061 -4.866 -7.169 1.00 23.42 N ATOM 23 CA THR A 3 0.975 -4.712 -5.723 1.00 41.32 C ATOM 24 C THR A 3 1.816 -5.764 -5.007 1.00 20.13 C ATOM 25 O THR A 3 2.495 -6.568 -5.643 1.00 54.11 O ATOM 26 CB THR A 3 -0.482 -4.817 -5.233 1.00 33.42 C ATOM 27 OG1 THR A 3 -1.063 -6.046 -5.682 1.00 11.12 O ATOM 28 CG2 THR A 3 -1.308 -3.644 -5.740 1.00 11.31 C ATOM 0 H THR A 3 0.865 -5.809 -7.505 1.00 23.42 H new ATOM 0 HA THR A 3 1.360 -3.720 -5.487 1.00 41.32 H new ATOM 0 HB THR A 3 -0.479 -4.795 -4.143 1.00 33.42 H new ATOM 0 HG1 THR A 3 -1.988 -6.106 -5.365 1.00 11.12 H new ATOM 0 HG21 THR A 3 -2.333 -3.739 -5.382 1.00 11.31 H new ATOM 0 HG22 THR A 3 -0.880 -2.712 -5.372 1.00 11.31 H new ATOM 0 HG23 THR A 3 -1.303 -3.640 -6.830 1.00 11.31 H new ATOM 36 N GLY A 4 1.764 -5.751 -3.678 1.00 1.33 N ATOM 37 CA GLY A 4 2.526 -6.708 -2.898 1.00 1.34 C ATOM 38 C GLY A 4 3.627 -6.052 -2.089 1.00 45.41 C ATOM 39 O GLY A 4 4.561 -5.475 -2.648 1.00 60.11 O ATOM 0 H GLY A 4 1.208 -5.095 -3.129 1.00 1.33 H new ATOM 0 HA2 GLY A 4 1.854 -7.241 -2.226 1.00 1.34 H new ATOM 0 HA3 GLY A 4 2.963 -7.450 -3.566 1.00 1.34 H new ATOM 43 N THR A 5 3.520 -6.137 -0.767 1.00 12.54 N ATOM 44 CA THR A 5 4.513 -5.545 0.121 1.00 74.23 C ATOM 45 C THR A 5 4.197 -5.850 1.580 1.00 64.14 C ATOM 46 O THR A 5 3.050 -6.117 1.935 1.00 14.45 O ATOM 47 CB THR A 5 4.593 -4.018 -0.067 1.00 71.41 C ATOM 48 OG1 THR A 5 5.381 -3.436 0.979 1.00 32.23 O ATOM 49 CG2 THR A 5 3.204 -3.398 -0.066 1.00 53.45 C ATOM 0 H THR A 5 2.755 -6.611 -0.287 1.00 12.54 H new ATOM 0 HA THR A 5 5.475 -5.987 -0.139 1.00 74.23 H new ATOM 0 HB THR A 5 5.062 -3.818 -1.030 1.00 71.41 H new ATOM 0 HG1 THR A 5 5.428 -2.466 0.851 1.00 32.23 H new ATOM 0 HG21 THR A 5 3.287 -2.319 -0.200 1.00 53.45 H new ATOM 0 HG22 THR A 5 2.616 -3.821 -0.881 1.00 53.45 H new ATOM 0 HG23 THR A 5 2.712 -3.609 0.884 1.00 53.45 H new ATOM 57 N GLY A 6 5.224 -5.808 2.425 1.00 24.13 N ATOM 58 CA GLY A 6 5.036 -6.082 3.837 1.00 71.40 C ATOM 59 C GLY A 6 6.304 -5.879 4.642 1.00 43.52 C ATOM 60 O GLY A 6 7.297 -5.365 4.127 1.00 52.21 O ATOM 0 H GLY A 6 6.183 -5.589 2.156 1.00 24.13 H new ATOM 0 HA2 GLY A 6 4.253 -5.433 4.229 1.00 71.40 H new ATOM 0 HA3 GLY A 6 4.691 -7.108 3.962 1.00 71.40 H new ATOM 64 N GLU A 7 6.270 -6.282 5.908 1.00 62.41 N ATOM 65 CA GLU A 7 7.425 -6.138 6.786 1.00 61.05 C ATOM 66 C GLU A 7 8.346 -7.351 6.677 1.00 62.33 C ATOM 67 O GLU A 7 7.946 -8.405 6.183 1.00 20.21 O ATOM 68 CB GLU A 7 6.974 -5.956 8.236 1.00 41.31 C ATOM 69 CG GLU A 7 6.251 -7.166 8.805 1.00 34.13 C ATOM 70 CD GLU A 7 6.212 -7.163 10.321 1.00 31.31 C ATOM 71 OE1 GLU A 7 5.369 -6.441 10.892 1.00 50.32 O ATOM 72 OE2 GLU A 7 7.026 -7.885 10.935 1.00 35.02 O1- ATOM 0 H GLU A 7 5.456 -6.710 6.348 1.00 62.41 H new ATOM 0 HA GLU A 7 7.978 -5.253 6.472 1.00 61.05 H new ATOM 0 HB2 GLU A 7 7.845 -5.740 8.854 1.00 41.31 H new ATOM 0 HB3 GLU A 7 6.317 -5.089 8.297 1.00 41.31 H new ATOM 0 HG2 GLU A 7 5.232 -7.190 8.419 1.00 34.13 H new ATOM 0 HG3 GLU A 7 6.744 -8.075 8.460 1.00 34.13 H new ATOM 79 N SER A 8 9.581 -7.192 7.140 1.00 11.13 N ATOM 80 CA SER A 8 10.561 -8.271 7.091 1.00 73.41 C ATOM 81 C SER A 8 11.673 -8.042 8.111 1.00 2.22 C ATOM 82 O SER A 8 11.925 -6.912 8.530 1.00 44.50 O ATOM 83 CB SER A 8 11.157 -8.384 5.687 1.00 62.10 C ATOM 84 OG SER A 8 10.202 -8.039 4.698 1.00 14.33 O ATOM 0 H SER A 8 9.927 -6.326 7.554 1.00 11.13 H new ATOM 0 HA SER A 8 10.052 -9.202 7.338 1.00 73.41 H new ATOM 0 HB2 SER A 8 12.025 -7.730 5.603 1.00 62.10 H new ATOM 0 HB3 SER A 8 11.508 -9.402 5.518 1.00 62.10 H new ATOM 0 HG SER A 8 10.354 -8.579 3.894 1.00 14.33 H new ATOM 90 N LYS A 9 12.336 -9.124 8.507 1.00 44.32 N ATOM 91 CA LYS A 9 13.421 -9.045 9.477 1.00 23.33 C ATOM 92 C LYS A 9 14.777 -9.127 8.783 1.00 33.34 C ATOM 93 O LYS A 9 15.499 -8.133 8.690 1.00 14.24 O ATOM 94 CB LYS A 9 13.295 -10.167 10.508 1.00 44.14 C ATOM 95 CG LYS A 9 12.350 -9.840 11.651 1.00 44.04 C ATOM 96 CD LYS A 9 13.056 -9.071 12.755 1.00 2.52 C ATOM 97 CE LYS A 9 13.717 -10.009 13.753 1.00 53.35 C ATOM 98 NZ LYS A 9 12.753 -10.501 14.775 1.00 32.34 N1+ ATOM 0 H LYS A 9 12.140 -10.067 8.170 1.00 44.32 H new ATOM 0 HA LYS A 9 13.350 -8.084 9.986 1.00 23.33 H new ATOM 0 HB2 LYS A 9 12.948 -11.071 10.008 1.00 44.14 H new ATOM 0 HB3 LYS A 9 14.282 -10.387 10.915 1.00 44.14 H new ATOM 0 HG2 LYS A 9 11.512 -9.252 11.275 1.00 44.04 H new ATOM 0 HG3 LYS A 9 11.935 -10.763 12.057 1.00 44.04 H new ATOM 0 HD2 LYS A 9 13.808 -8.414 12.318 1.00 2.52 H new ATOM 0 HD3 LYS A 9 12.338 -8.434 13.273 1.00 2.52 H new ATOM 0 HE2 LYS A 9 14.148 -10.858 13.223 1.00 53.35 H new ATOM 0 HE3 LYS A 9 14.539 -9.492 14.248 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 13.243 -11.137 15.436 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 12.360 -9.693 15.299 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 11.982 -11.017 14.305 1.00 32.34 H new ATOM 112 N CYS A 10 15.116 -10.316 8.297 1.00 72.52 N ATOM 113 CA CYS A 10 16.385 -10.528 7.610 1.00 50.34 C ATOM 114 C CYS A 10 16.575 -9.510 6.491 1.00 44.02 C ATOM 115 O CYS A 10 15.623 -8.888 6.016 1.00 44.02 O ATOM 116 CB CYS A 10 16.451 -11.947 7.043 1.00 33.40 C ATOM 117 SG CYS A 10 17.184 -13.158 8.168 1.00 22.45 S ATOM 0 H CYS A 10 14.530 -11.148 8.366 1.00 72.52 H new ATOM 0 HA CYS A 10 17.188 -10.397 8.335 1.00 50.34 H new ATOM 0 HB2 CYS A 10 15.443 -12.271 6.785 1.00 33.40 H new ATOM 0 HB3 CYS A 10 17.027 -11.931 6.118 1.00 33.40 H new ATOM 0 HG CYS A 10 17.945 -13.970 7.496 1.00 22.45 H new ATOM 123 N PRO A 11 17.831 -9.333 6.058 1.00 41.21 N ATOM 124 CA PRO A 11 18.175 -8.390 4.989 1.00 32.44 C ATOM 125 C PRO A 11 17.666 -8.847 3.627 1.00 33.11 C ATOM 126 O PRO A 11 17.119 -8.054 2.859 1.00 40.40 O ATOM 127 CB PRO A 11 19.706 -8.372 5.010 1.00 52.53 C ATOM 128 CG PRO A 11 20.091 -9.690 5.589 1.00 50.33 C ATOM 129 CD PRO A 11 19.014 -10.039 6.577 1.00 12.12 C ATOM 0 HA PRO A 11 17.722 -7.411 5.148 1.00 32.44 H new ATOM 0 HB2 PRO A 11 20.114 -8.245 4.007 1.00 52.53 H new ATOM 0 HB3 PRO A 11 20.084 -7.548 5.615 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.168 -10.450 4.812 1.00 50.33 H new ATOM 0 HG3 PRO A 11 21.064 -9.633 6.077 1.00 50.33 H new ATOM 0 HD2 PRO A 11 18.849 -11.115 6.628 1.00 12.12 H new ATOM 0 HD3 PRO A 11 19.270 -9.708 7.583 1.00 12.12 H new ATOM 137 N LEU A 12 17.850 -10.130 3.332 1.00 24.44 N ATOM 138 CA LEU A 12 17.409 -10.693 2.061 1.00 13.33 C ATOM 139 C LEU A 12 16.321 -11.740 2.277 1.00 62.23 C ATOM 140 O LEU A 12 16.579 -12.813 2.822 1.00 61.54 O ATOM 141 CB LEU A 12 18.592 -11.316 1.318 1.00 1.41 C ATOM 142 CG LEU A 12 18.472 -11.378 -0.205 1.00 23.13 C ATOM 143 CD1 LEU A 12 17.310 -12.272 -0.612 1.00 43.24 C ATOM 144 CD2 LEU A 12 18.301 -9.982 -0.784 1.00 3.34 C ATOM 0 H LEU A 12 18.301 -10.799 3.956 1.00 24.44 H new ATOM 0 HA LEU A 12 16.995 -9.885 1.459 1.00 13.33 H new ATOM 0 HB2 LEU A 12 19.490 -10.752 1.569 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.737 -12.329 1.692 1.00 1.41 H new ATOM 0 HG LEU A 12 19.391 -11.805 -0.606 1.00 23.13 H new ATOM 0 HD11 LEU A 12 17.239 -12.305 -1.699 1.00 43.24 H new ATOM 0 HD12 LEU A 12 17.474 -13.279 -0.229 1.00 43.24 H new ATOM 0 HD13 LEU A 12 16.383 -11.874 -0.200 1.00 43.24 H new ATOM 0 HD21 LEU A 12 18.217 -10.046 -1.869 1.00 3.34 H new ATOM 0 HD22 LEU A 12 17.398 -9.527 -0.376 1.00 3.34 H new ATOM 0 HD23 LEU A 12 19.165 -9.371 -0.522 1.00 3.34 H new ATOM 156 N MET A 13 15.106 -11.421 1.847 1.00 42.14 N ATOM 157 CA MET A 13 13.979 -12.337 1.991 1.00 33.41 C ATOM 158 C MET A 13 13.458 -12.777 0.627 1.00 40.04 C ATOM 159 O MET A 13 13.423 -11.990 -0.320 1.00 53.03 O ATOM 160 CB MET A 13 12.854 -11.674 2.789 1.00 72.22 C ATOM 161 CG MET A 13 11.912 -12.666 3.449 1.00 31.44 C ATOM 162 SD MET A 13 10.271 -11.978 3.740 1.00 1.33 S ATOM 163 CE MET A 13 9.265 -13.058 2.725 1.00 15.23 C ATOM 0 H MET A 13 14.875 -10.536 1.396 1.00 42.14 H new ATOM 0 HA MET A 13 14.327 -13.219 2.529 1.00 33.41 H new ATOM 0 HB2 MET A 13 13.291 -11.035 3.556 1.00 72.22 H new ATOM 0 HB3 MET A 13 12.281 -11.027 2.125 1.00 72.22 H new ATOM 0 HG2 MET A 13 11.824 -13.552 2.820 1.00 31.44 H new ATOM 0 HG3 MET A 13 12.339 -12.991 4.398 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.276 -13.159 3.171 1.00 15.23 H new ATOM 0 HE2 MET A 13 9.170 -12.634 1.725 1.00 15.23 H new ATOM 0 HE3 MET A 13 9.736 -14.039 2.660 1.00 15.23 H new ATOM 173 N VAL A 14 13.056 -14.041 0.531 1.00 0.34 N ATOM 174 CA VAL A 14 12.537 -14.586 -0.718 1.00 54.11 C ATOM 175 C VAL A 14 11.116 -15.110 -0.539 1.00 75.31 C ATOM 176 O VAL A 14 10.878 -16.046 0.223 1.00 44.51 O ATOM 177 CB VAL A 14 13.430 -15.724 -1.247 1.00 71.42 C ATOM 178 CG1 VAL A 14 12.954 -16.181 -2.617 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.884 -15.279 -1.299 1.00 54.20 C ATOM 0 H VAL A 14 13.080 -14.707 1.304 1.00 0.34 H new ATOM 0 HA VAL A 14 12.532 -13.772 -1.442 1.00 54.11 H new ATOM 0 HB VAL A 14 13.357 -16.569 -0.563 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.596 -16.985 -2.976 1.00 65.25 H new ATOM 0 HG12 VAL A 14 11.928 -16.541 -2.544 1.00 65.25 H new ATOM 0 HG13 VAL A 14 12.996 -15.345 -3.315 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.501 -16.095 -1.675 1.00 54.20 H new ATOM 0 HG22 VAL A 14 14.978 -14.418 -1.961 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.216 -15.004 -0.298 1.00 54.20 H new ATOM 189 N LYS A 15 10.173 -14.499 -1.249 1.00 45.14 N ATOM 190 CA LYS A 15 8.774 -14.905 -1.173 1.00 34.42 C ATOM 191 C LYS A 15 8.342 -15.611 -2.453 1.00 3.44 C ATOM 192 O LYS A 15 8.293 -15.003 -3.523 1.00 33.44 O ATOM 193 CB LYS A 15 7.882 -13.687 -0.922 1.00 23.14 C ATOM 194 CG LYS A 15 6.468 -14.045 -0.501 1.00 20.51 C ATOM 195 CD LYS A 15 6.317 -14.030 1.012 1.00 21.44 C ATOM 196 CE LYS A 15 6.088 -12.621 1.535 1.00 61.00 C ATOM 197 NZ LYS A 15 4.750 -12.094 1.144 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.352 -13.721 -1.884 1.00 45.14 H new ATOM 0 HA LYS A 15 8.668 -15.603 -0.342 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.336 -13.068 -0.149 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.840 -13.085 -1.829 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.765 -13.340 -0.945 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.212 -15.033 -0.884 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.481 -14.667 1.302 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.212 -14.449 1.472 1.00 21.44 H new ATOM 0 HE2 LYS A 15 6.176 -12.618 2.621 1.00 61.00 H new ATOM 0 HE3 LYS A 15 6.865 -11.960 1.151 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.489 -11.308 1.773 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 4.784 -11.755 0.162 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 4.042 -12.851 1.224 1.00 31.20 H new ATOM 211 N VAL A 16 8.027 -16.896 -2.337 1.00 43.13 N ATOM 212 CA VAL A 16 7.595 -17.685 -3.486 1.00 14.13 C ATOM 213 C VAL A 16 6.080 -17.855 -3.497 1.00 22.53 C ATOM 214 O VAL A 16 5.530 -18.669 -2.755 1.00 43.30 O ATOM 215 CB VAL A 16 8.256 -19.076 -3.493 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.895 -19.834 -4.761 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.766 -18.948 -3.350 1.00 0.34 C ATOM 0 H VAL A 16 8.062 -17.414 -1.459 1.00 43.13 H new ATOM 0 HA VAL A 16 7.904 -17.140 -4.378 1.00 14.13 H new ATOM 0 HB VAL A 16 7.879 -19.642 -2.641 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.372 -20.814 -4.747 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.813 -19.957 -4.816 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.241 -19.275 -5.630 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.218 -19.940 -3.357 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.162 -18.363 -4.180 1.00 0.34 H new ATOM 0 HG23 VAL A 16 10.001 -18.449 -2.410 1.00 0.34 H new ATOM 227 N LEU A 17 5.411 -17.083 -4.346 1.00 52.23 N ATOM 228 CA LEU A 17 3.957 -17.147 -4.456 1.00 52.32 C ATOM 229 C LEU A 17 3.538 -17.667 -5.826 1.00 63.31 C ATOM 230 O LEU A 17 4.296 -17.584 -6.792 1.00 71.44 O ATOM 231 CB LEU A 17 3.346 -15.766 -4.213 1.00 44.04 C ATOM 232 CG LEU A 17 2.665 -15.562 -2.858 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.182 -14.300 -2.186 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.154 -15.499 -3.025 1.00 53.44 C ATOM 0 H LEU A 17 5.851 -16.405 -4.968 1.00 52.23 H new ATOM 0 HA LEU A 17 3.590 -17.838 -3.697 1.00 52.32 H new ATOM 0 HB2 LEU A 17 4.133 -15.019 -4.318 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.615 -15.571 -4.998 1.00 44.04 H new ATOM 0 HG LEU A 17 2.905 -16.413 -2.220 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.687 -14.171 -1.224 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.258 -14.384 -2.032 1.00 1.50 H new ATOM 0 HD13 LEU A 17 2.973 -13.438 -2.820 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.686 -15.354 -2.051 1.00 53.44 H new ATOM 0 HD22 LEU A 17 0.895 -14.667 -3.680 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.797 -16.431 -3.463 1.00 53.44 H new ATOM 246 N ASP A 18 2.324 -18.203 -5.904 1.00 52.03 N ATOM 247 CA ASP A 18 1.802 -18.734 -7.158 1.00 1.53 C ATOM 248 C ASP A 18 0.795 -17.771 -7.778 1.00 31.30 C ATOM 249 O ASP A 18 -0.069 -17.230 -7.088 1.00 2.31 O ATOM 250 CB ASP A 18 1.146 -20.096 -6.925 1.00 21.40 C ATOM 251 CG ASP A 18 1.320 -21.031 -8.106 1.00 31.11 C ATOM 252 OD1 ASP A 18 1.896 -20.599 -9.125 1.00 53.44 O ATOM 253 OD2 ASP A 18 0.878 -22.196 -8.010 1.00 31.41 O1- ATOM 0 H ASP A 18 1.684 -18.281 -5.114 1.00 52.03 H new ATOM 0 HA ASP A 18 2.636 -18.854 -7.849 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.576 -20.556 -6.035 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.083 -19.956 -6.730 1.00 21.40 H new ATOM 258 N ALA A 19 0.913 -17.560 -9.085 1.00 54.11 N ATOM 259 CA ALA A 19 0.012 -16.663 -9.799 1.00 4.04 C ATOM 260 C ALA A 19 -1.254 -17.390 -10.237 1.00 72.45 C ATOM 261 O ALA A 19 -2.294 -16.770 -10.455 1.00 54.10 O ATOM 262 CB ALA A 19 0.718 -16.055 -11.002 1.00 64.31 C ATOM 0 H ALA A 19 1.624 -17.998 -9.671 1.00 54.11 H new ATOM 0 HA ALA A 19 -0.279 -15.862 -9.119 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.034 -15.387 -11.526 1.00 64.31 H new ATOM 0 HB2 ALA A 19 1.589 -15.492 -10.667 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.037 -16.850 -11.676 1.00 64.31 H new ATOM 268 N VAL A 20 -1.158 -18.710 -10.366 1.00 1.32 N ATOM 269 CA VAL A 20 -2.297 -19.523 -10.779 1.00 4.11 C ATOM 270 C VAL A 20 -3.187 -19.865 -9.590 1.00 34.21 C ATOM 271 O VAL A 20 -4.400 -20.024 -9.735 1.00 24.34 O ATOM 272 CB VAL A 20 -1.838 -20.827 -11.457 1.00 64.24 C ATOM 273 CG1 VAL A 20 -3.026 -21.745 -11.706 1.00 42.40 C ATOM 274 CG2 VAL A 20 -1.106 -20.525 -12.755 1.00 1.33 C ATOM 0 H VAL A 20 -0.304 -19.239 -10.191 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.866 -18.931 -11.496 1.00 4.11 H new ATOM 0 HB VAL A 20 -1.146 -21.339 -10.789 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.683 -22.662 -12.186 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.503 -21.989 -10.757 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.744 -21.243 -12.354 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.789 -21.459 -13.220 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.772 -19.990 -13.432 1.00 1.33 H new ATOM 0 HG23 VAL A 20 -0.231 -19.909 -12.545 1.00 1.33 H new ATOM 284 N ARG A 21 -2.578 -19.977 -8.414 1.00 70.43 N ATOM 285 CA ARG A 21 -3.315 -20.301 -7.199 1.00 40.24 C ATOM 286 C ARG A 21 -3.495 -19.064 -6.325 1.00 25.13 C ATOM 287 O ARG A 21 -4.393 -19.008 -5.487 1.00 25.45 O ATOM 288 CB ARG A 21 -2.588 -21.394 -6.412 1.00 54.04 C ATOM 289 CG ARG A 21 -2.041 -22.512 -7.284 1.00 23.13 C ATOM 290 CD ARG A 21 -1.220 -23.502 -6.473 1.00 70.24 C ATOM 291 NE ARG A 21 -2.064 -24.455 -5.757 1.00 32.25 N ATOM 292 CZ ARG A 21 -2.521 -24.252 -4.527 1.00 13.33 C ATOM 293 NH1 ARG A 21 -2.219 -23.135 -3.879 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -3.284 -25.168 -3.943 1.00 42.11 N ATOM 0 H ARG A 21 -1.575 -19.848 -8.277 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.300 -20.666 -7.489 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.766 -20.943 -5.856 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.274 -21.819 -5.679 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.866 -23.033 -7.769 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.423 -22.088 -8.076 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.545 -24.043 -7.136 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.599 -22.960 -5.760 1.00 70.24 H new ATOM 0 HE ARG A 21 -2.316 -25.324 -6.228 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -1.634 -22.429 -4.325 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -2.572 -22.982 -2.934 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -3.519 -26.028 -4.439 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -3.635 -25.012 -2.998 1.00 42.11 H new ATOM 308 N GLY A 22 -2.630 -18.073 -6.526 1.00 14.01 N ATOM 309 CA GLY A 22 -2.711 -16.850 -5.749 1.00 71.33 C ATOM 310 C GLY A 22 -2.333 -17.061 -4.296 1.00 55.30 C ATOM 311 O GLY A 22 -2.740 -16.292 -3.425 1.00 35.44 O ATOM 0 H GLY A 22 -1.876 -18.096 -7.212 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -2.053 -16.100 -6.187 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.725 -16.455 -5.804 1.00 71.33 H new ATOM 315 N SER A 23 -1.555 -18.106 -4.034 1.00 52.31 N ATOM 316 CA SER A 23 -1.128 -18.419 -2.676 1.00 31.20 C ATOM 317 C SER A 23 0.347 -18.809 -2.646 1.00 73.43 C ATOM 318 O SER A 23 0.937 -19.182 -3.660 1.00 43.22 O ATOM 319 CB SER A 23 -1.978 -19.554 -2.099 1.00 51.44 C ATOM 320 OG SER A 23 -3.015 -19.047 -1.278 1.00 24.23 O ATOM 0 H SER A 23 -1.208 -18.750 -4.744 1.00 52.31 H new ATOM 0 HA SER A 23 -1.263 -17.526 -2.065 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.407 -20.141 -2.911 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.347 -20.227 -1.519 1.00 51.44 H new ATOM 0 HG SER A 23 -3.545 -19.791 -0.923 1.00 24.23 H new ATOM 326 N PRO A 24 0.958 -18.720 -1.456 1.00 13.40 N ATOM 327 CA PRO A 24 2.372 -19.060 -1.264 1.00 34.35 C ATOM 328 C PRO A 24 2.632 -20.556 -1.396 1.00 53.53 C ATOM 329 O PRO A 24 1.918 -21.374 -0.816 1.00 40.42 O ATOM 330 CB PRO A 24 2.657 -18.592 0.165 1.00 12.41 C ATOM 331 CG PRO A 24 1.334 -18.627 0.847 1.00 62.31 C ATOM 332 CD PRO A 24 0.317 -18.284 -0.204 1.00 53.31 C ATOM 0 HA PRO A 24 3.009 -18.594 -2.016 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.375 -19.246 0.660 1.00 12.41 H new ATOM 0 HB3 PRO A 24 3.081 -17.588 0.175 1.00 12.41 H new ATOM 0 HG2 PRO A 24 1.140 -19.612 1.271 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.300 -17.913 1.670 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.627 -18.803 -0.034 1.00 53.31 H new ATOM 0 HD3 PRO A 24 0.096 -17.217 -0.216 1.00 53.31 H new ATOM 340 N ALA A 25 3.658 -20.908 -2.164 1.00 24.51 N ATOM 341 CA ALA A 25 4.014 -22.306 -2.371 1.00 10.44 C ATOM 342 C ALA A 25 4.719 -22.879 -1.146 1.00 33.45 C ATOM 343 O ALA A 25 5.441 -22.170 -0.445 1.00 43.13 O ATOM 344 CB ALA A 25 4.892 -22.450 -3.603 1.00 61.41 C ATOM 0 H ALA A 25 4.258 -20.243 -2.653 1.00 24.51 H new ATOM 0 HA ALA A 25 3.095 -22.871 -2.526 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.150 -23.499 -3.745 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.353 -22.087 -4.478 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.803 -21.867 -3.470 1.00 61.41 H new ATOM 350 N ILE A 26 4.505 -24.167 -0.895 1.00 22.35 N ATOM 351 CA ILE A 26 5.121 -24.834 0.246 1.00 34.21 C ATOM 352 C ILE A 26 6.211 -25.799 -0.206 1.00 14.43 C ATOM 353 O ILE A 26 6.085 -26.455 -1.240 1.00 25.11 O ATOM 354 CB ILE A 26 4.080 -25.607 1.076 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.157 -24.633 1.811 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.771 -26.537 2.061 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.113 -25.317 2.666 1.00 11.52 C ATOM 0 H ILE A 26 3.911 -24.768 -1.466 1.00 22.35 H new ATOM 0 HA ILE A 26 5.562 -24.054 0.867 1.00 34.21 H new ATOM 0 HB ILE A 26 3.475 -26.212 0.400 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.760 -23.980 2.442 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.657 -23.998 1.080 1.00 3.20 H new ATOM 0 HG21 ILE A 26 4.021 -27.076 2.640 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.390 -27.250 1.516 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.398 -25.953 2.734 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.495 -24.565 3.157 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.485 -25.949 2.038 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.606 -25.931 3.420 1.00 11.52 H new ATOM 369 N ASN A 27 7.282 -25.883 0.577 1.00 12.42 N ATOM 370 CA ASN A 27 8.396 -26.769 0.258 1.00 73.32 C ATOM 371 C ASN A 27 8.995 -26.423 -1.102 1.00 13.34 C ATOM 372 O ASN A 27 9.185 -27.296 -1.949 1.00 65.22 O ATOM 373 CB ASN A 27 7.932 -28.227 0.267 1.00 73.52 C ATOM 374 CG ASN A 27 7.818 -28.789 1.670 1.00 73.20 C ATOM 375 OD1 ASN A 27 8.110 -29.962 1.907 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.394 -27.952 2.610 1.00 31.42 N ATOM 0 H ASN A 27 7.402 -25.348 1.437 1.00 12.42 H new ATOM 0 HA ASN A 27 9.165 -26.634 1.018 1.00 73.32 H new ATOM 0 HB2 ASN A 27 6.965 -28.301 -0.231 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.633 -28.832 -0.308 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.299 -28.273 3.574 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.163 -26.988 2.368 1.00 31.42 H new ATOM 383 N VAL A 28 9.292 -25.143 -1.303 1.00 10.34 N ATOM 384 CA VAL A 28 9.872 -24.680 -2.559 1.00 3.15 C ATOM 385 C VAL A 28 11.395 -24.698 -2.499 1.00 50.12 C ATOM 386 O VAL A 28 12.015 -23.783 -1.958 1.00 52.30 O ATOM 387 CB VAL A 28 9.398 -23.256 -2.904 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.060 -22.768 -4.184 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.883 -23.215 -3.030 1.00 33.20 C ATOM 0 H VAL A 28 9.141 -24.408 -0.612 1.00 10.34 H new ATOM 0 HA VAL A 28 9.534 -25.365 -3.337 1.00 3.15 H new ATOM 0 HB VAL A 28 9.691 -22.588 -2.094 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.713 -21.760 -4.412 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.142 -22.758 -4.053 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.800 -23.436 -5.005 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.565 -22.201 -3.274 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.565 -23.895 -3.820 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.431 -23.519 -2.086 1.00 33.20 H new ATOM 399 N ALA A 29 11.991 -25.743 -3.062 1.00 21.11 N ATOM 400 CA ALA A 29 13.442 -25.879 -3.076 1.00 13.43 C ATOM 401 C ALA A 29 14.104 -24.637 -3.663 1.00 73.30 C ATOM 402 O ALA A 29 14.020 -24.385 -4.865 1.00 24.22 O ATOM 403 CB ALA A 29 13.849 -27.117 -3.862 1.00 1.22 C ATOM 0 H ALA A 29 11.491 -26.508 -3.515 1.00 21.11 H new ATOM 0 HA ALA A 29 13.782 -25.988 -2.046 1.00 13.43 H new ATOM 0 HB1 ALA A 29 14.935 -27.206 -3.864 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.413 -28.002 -3.398 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.490 -27.031 -4.888 1.00 1.22 H new ATOM 409 N VAL A 30 14.761 -23.862 -2.807 1.00 52.51 N ATOM 410 CA VAL A 30 15.438 -22.645 -3.241 1.00 62.05 C ATOM 411 C VAL A 30 16.921 -22.686 -2.889 1.00 64.44 C ATOM 412 O VAL A 30 17.313 -23.253 -1.870 1.00 3.33 O ATOM 413 CB VAL A 30 14.804 -21.393 -2.604 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.479 -20.132 -3.122 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.308 -21.358 -2.874 1.00 50.55 C ATOM 0 H VAL A 30 14.839 -24.055 -1.808 1.00 52.51 H new ATOM 0 HA VAL A 30 15.326 -22.589 -4.324 1.00 62.05 H new ATOM 0 HB VAL A 30 14.953 -21.439 -1.525 1.00 11.02 H new ATOM 0 HG11 VAL A 30 15.019 -19.258 -2.662 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.540 -20.158 -2.872 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.363 -20.076 -4.204 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.877 -20.467 -2.417 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.133 -21.335 -3.950 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.841 -22.246 -2.449 1.00 50.55 H new ATOM 425 N HIS A 31 17.742 -22.080 -3.742 1.00 4.33 N ATOM 426 CA HIS A 31 19.183 -22.046 -3.521 1.00 20.44 C ATOM 427 C HIS A 31 19.731 -20.637 -3.723 1.00 70.41 C ATOM 428 O HIS A 31 19.201 -19.861 -4.520 1.00 62.13 O ATOM 429 CB HIS A 31 19.888 -23.019 -4.466 1.00 42.03 C ATOM 430 CG HIS A 31 19.152 -24.310 -4.655 1.00 51.24 C ATOM 431 ND1 HIS A 31 18.934 -24.879 -5.893 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.581 -25.144 -3.755 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.262 -26.005 -5.745 1.00 63.14 C ATOM 434 NE2 HIS A 31 18.035 -26.190 -4.457 1.00 23.04 N ATOM 0 H HIS A 31 17.434 -21.607 -4.591 1.00 4.33 H new ATOM 0 HA HIS A 31 19.374 -22.347 -2.491 1.00 20.44 H new ATOM 0 HB2 HIS A 31 20.019 -22.540 -5.436 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.884 -23.232 -4.078 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.559 -25.011 -2.683 1.00 21.01 H new ATOM 0 HE1 HIS A 31 17.950 -26.664 -6.542 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.536 -26.981 -4.050 1.00 23.04 H new ATOM 442 N VAL A 32 20.795 -20.309 -2.996 1.00 33.14 N ATOM 443 CA VAL A 32 21.414 -18.993 -3.096 1.00 13.25 C ATOM 444 C VAL A 32 22.923 -19.108 -3.277 1.00 62.02 C ATOM 445 O VAL A 32 23.617 -19.688 -2.441 1.00 63.22 O ATOM 446 CB VAL A 32 21.120 -18.140 -1.848 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.558 -16.700 -2.072 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.644 -18.208 -1.490 1.00 30.45 C ATOM 0 H VAL A 32 21.246 -20.937 -2.331 1.00 33.14 H new ATOM 0 HA VAL A 32 20.983 -18.505 -3.970 1.00 13.25 H new ATOM 0 HB VAL A 32 21.690 -18.543 -1.011 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.343 -16.111 -1.180 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.629 -16.673 -2.275 1.00 62.34 H new ATOM 0 HG13 VAL A 32 21.017 -16.283 -2.921 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.456 -17.599 -0.606 1.00 30.45 H new ATOM 0 HG22 VAL A 32 19.050 -17.832 -2.323 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.367 -19.242 -1.284 1.00 30.45 H new ATOM 458 N PHE A 33 23.426 -18.552 -4.374 1.00 14.51 N ATOM 459 CA PHE A 33 24.854 -18.593 -4.666 1.00 10.33 C ATOM 460 C PHE A 33 25.438 -17.184 -4.722 1.00 51.44 C ATOM 461 O PHE A 33 24.709 -16.205 -4.889 1.00 61.13 O ATOM 462 CB PHE A 33 25.105 -19.315 -5.991 1.00 54.22 C ATOM 463 CG PHE A 33 24.696 -20.760 -5.973 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.357 -21.115 -6.015 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.650 -21.764 -5.915 1.00 63.43 C ATOM 466 CE1 PHE A 33 22.979 -22.444 -5.999 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.277 -23.094 -5.898 1.00 51.24 C ATOM 468 CZ PHE A 33 23.939 -23.434 -5.940 1.00 15.51 C ATOM 0 H PHE A 33 22.866 -18.068 -5.075 1.00 14.51 H new ATOM 0 HA PHE A 33 25.348 -19.140 -3.863 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.561 -18.802 -6.784 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.165 -19.249 -6.237 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.601 -20.345 -6.061 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.698 -21.503 -5.883 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.932 -22.708 -6.033 1.00 31.23 H new ATOM 0 HE2 PHE A 33 26.030 -23.867 -5.852 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.644 -24.473 -5.927 1.00 15.51 H new ATOM 478 N ARG A 34 26.756 -17.090 -4.582 1.00 32.15 N ATOM 479 CA ARG A 34 27.438 -15.802 -4.616 1.00 13.44 C ATOM 480 C ARG A 34 28.432 -15.743 -5.772 1.00 21.02 C ATOM 481 O ARG A 34 29.045 -16.749 -6.130 1.00 3.34 O ATOM 482 CB ARG A 34 28.163 -15.549 -3.293 1.00 72.25 C ATOM 483 CG ARG A 34 28.986 -14.273 -3.282 1.00 3.34 C ATOM 484 CD ARG A 34 29.856 -14.179 -2.039 1.00 53.42 C ATOM 485 NE ARG A 34 30.976 -13.261 -2.221 1.00 31.04 N ATOM 486 CZ ARG A 34 30.837 -11.942 -2.312 1.00 34.30 C ATOM 487 NH1 ARG A 34 29.634 -11.391 -2.237 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 31.905 -11.172 -2.477 1.00 2.43 N ATOM 0 H ARG A 34 27.373 -17.890 -4.444 1.00 32.15 H new ATOM 0 HA ARG A 34 26.687 -15.026 -4.765 1.00 13.44 H new ATOM 0 HB2 ARG A 34 27.428 -15.504 -2.489 1.00 72.25 H new ATOM 0 HB3 ARG A 34 28.817 -16.395 -3.080 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.616 -14.238 -4.171 1.00 3.34 H new ATOM 0 HG3 ARG A 34 28.321 -13.410 -3.328 1.00 3.34 H new ATOM 0 HD2 ARG A 34 29.249 -13.847 -1.197 1.00 53.42 H new ATOM 0 HD3 ARG A 34 30.236 -15.169 -1.788 1.00 53.42 H new ATOM 0 HE ARG A 34 31.916 -13.653 -2.282 1.00 31.04 H new ATOM 0 HH11 ARG A 34 28.811 -11.979 -2.109 1.00 44.53 H new ATOM 0 HH12 ARG A 34 29.531 -10.379 -2.307 1.00 44.53 H new ATOM 0 HH21 ARG A 34 32.833 -11.592 -2.534 1.00 2.43 H new ATOM 0 HH22 ARG A 34 31.798 -10.160 -2.547 1.00 2.43 H new ATOM 502 N LYS A 35 28.588 -14.558 -6.353 1.00 54.20 N ATOM 503 CA LYS A 35 29.508 -14.366 -7.467 1.00 73.31 C ATOM 504 C LYS A 35 30.957 -14.460 -6.999 1.00 71.34 C ATOM 505 O LYS A 35 31.410 -13.656 -6.186 1.00 63.22 O ATOM 506 CB LYS A 35 29.262 -13.009 -8.130 1.00 24.12 C ATOM 507 CG LYS A 35 30.365 -12.590 -9.087 1.00 14.42 C ATOM 508 CD LYS A 35 30.521 -13.584 -10.226 1.00 34.13 C ATOM 509 CE LYS A 35 29.345 -13.516 -11.188 1.00 42.22 C ATOM 510 NZ LYS A 35 29.321 -12.235 -11.948 1.00 53.31 N1+ ATOM 0 H LYS A 35 28.088 -13.715 -6.070 1.00 54.20 H new ATOM 0 HA LYS A 35 29.328 -15.157 -8.195 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.317 -13.045 -8.672 1.00 24.12 H new ATOM 0 HB3 LYS A 35 29.157 -12.249 -7.355 1.00 24.12 H new ATOM 0 HG2 LYS A 35 30.141 -11.603 -9.492 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.307 -12.506 -8.544 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.446 -13.379 -10.765 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.604 -14.593 -9.822 1.00 34.13 H new ATOM 0 HE2 LYS A 35 29.399 -14.351 -11.886 1.00 42.22 H new ATOM 0 HE3 LYS A 35 28.414 -13.625 -10.631 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.675 -12.324 -12.758 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 28.993 -11.468 -11.326 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.278 -12.017 -12.291 1.00 53.31 H new ATOM 524 N ALA A 36 31.679 -15.447 -7.520 1.00 33.44 N ATOM 525 CA ALA A 36 33.077 -15.644 -7.158 1.00 70.02 C ATOM 526 C ALA A 36 33.988 -14.729 -7.968 1.00 20.11 C ATOM 527 O ALA A 36 33.518 -13.913 -8.761 1.00 35.22 O ATOM 528 CB ALA A 36 33.474 -17.099 -7.359 1.00 3.22 C ATOM 0 H ALA A 36 31.319 -16.122 -8.194 1.00 33.44 H new ATOM 0 HA ALA A 36 33.193 -15.389 -6.105 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.521 -17.232 -7.085 1.00 3.22 H new ATOM 0 HB2 ALA A 36 32.851 -17.736 -6.732 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.335 -17.373 -8.405 1.00 3.22 H new ATOM 534 N ALA A 37 35.293 -14.869 -7.764 1.00 24.23 N ATOM 535 CA ALA A 37 36.270 -14.054 -8.477 1.00 41.33 C ATOM 536 C ALA A 37 36.532 -14.608 -9.874 1.00 62.24 C ATOM 537 O ALA A 37 37.205 -13.975 -10.687 1.00 15.13 O ATOM 538 CB ALA A 37 37.568 -13.975 -7.687 1.00 20.34 C ATOM 0 H ALA A 37 35.699 -15.539 -7.111 1.00 24.23 H new ATOM 0 HA ALA A 37 35.860 -13.050 -8.584 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.288 -13.364 -8.231 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.374 -13.527 -6.713 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.973 -14.978 -7.551 1.00 20.34 H new ATOM 544 N ASP A 38 35.996 -15.793 -10.145 1.00 62.14 N ATOM 545 CA ASP A 38 36.172 -16.433 -11.444 1.00 4.12 C ATOM 546 C ASP A 38 34.896 -16.336 -12.274 1.00 0.42 C ATOM 547 O ASP A 38 34.625 -17.191 -13.117 1.00 23.13 O ATOM 548 CB ASP A 38 36.568 -17.899 -11.264 1.00 0.10 C ATOM 549 CG ASP A 38 37.437 -18.406 -12.399 1.00 65.21 C ATOM 550 OD1 ASP A 38 37.536 -17.707 -13.429 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 38.020 -19.502 -12.256 1.00 5.41 O ATOM 0 H ASP A 38 35.436 -16.330 -9.483 1.00 62.14 H new ATOM 0 HA ASP A 38 36.969 -15.912 -11.974 1.00 4.12 H new ATOM 0 HB2 ASP A 38 37.102 -18.015 -10.321 1.00 0.10 H new ATOM 0 HB3 ASP A 38 35.668 -18.510 -11.198 1.00 0.10 H new ATOM 556 N ASP A 39 34.114 -15.291 -12.028 1.00 22.23 N ATOM 557 CA ASP A 39 32.865 -15.081 -12.752 1.00 13.11 C ATOM 558 C ASP A 39 31.935 -16.279 -12.588 1.00 31.25 C ATOM 559 O ASP A 39 31.081 -16.538 -13.436 1.00 44.13 O ATOM 560 CB ASP A 39 33.147 -14.838 -14.236 1.00 2.13 C ATOM 561 CG ASP A 39 33.826 -13.506 -14.485 1.00 55.52 C ATOM 562 OD1 ASP A 39 33.586 -12.563 -13.704 1.00 75.13 O1- ATOM 563 OD2 ASP A 39 34.599 -13.408 -15.462 1.00 22.43 O ATOM 0 H ASP A 39 34.323 -14.575 -11.332 1.00 22.23 H new ATOM 0 HA ASP A 39 32.374 -14.202 -12.334 1.00 13.11 H new ATOM 0 HB2 ASP A 39 33.777 -15.641 -14.620 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.210 -14.875 -14.792 1.00 2.13 H new ATOM 568 N THR A 40 32.105 -17.008 -11.489 1.00 30.11 N ATOM 569 CA THR A 40 31.284 -18.180 -11.215 1.00 25.33 C ATOM 570 C THR A 40 30.343 -17.929 -10.043 1.00 51.15 C ATOM 571 O THR A 40 30.315 -16.833 -9.481 1.00 63.30 O ATOM 572 CB THR A 40 32.151 -19.415 -10.906 1.00 62.55 C ATOM 573 OG1 THR A 40 32.890 -19.206 -9.699 1.00 73.04 O ATOM 574 CG2 THR A 40 33.110 -19.702 -12.051 1.00 33.22 C ATOM 0 H THR A 40 32.804 -16.807 -10.774 1.00 30.11 H new ATOM 0 HA THR A 40 30.699 -18.372 -12.114 1.00 25.33 H new ATOM 0 HB THR A 40 31.491 -20.273 -10.782 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.437 -19.997 -9.509 1.00 73.04 H new ATOM 0 HG21 THR A 40 33.712 -20.578 -11.810 1.00 33.22 H new ATOM 0 HG22 THR A 40 32.543 -19.891 -12.962 1.00 33.22 H new ATOM 0 HG23 THR A 40 33.764 -18.843 -12.202 1.00 33.22 H new ATOM 582 N TRP A 41 29.574 -18.948 -9.678 1.00 51.02 N ATOM 583 CA TRP A 41 28.630 -18.836 -8.570 1.00 63.44 C ATOM 584 C TRP A 41 28.899 -19.906 -7.517 1.00 42.43 C ATOM 585 O TRP A 41 28.732 -21.097 -7.774 1.00 72.23 O ATOM 586 CB TRP A 41 27.195 -18.956 -9.083 1.00 61.33 C ATOM 587 CG TRP A 41 26.846 -17.932 -10.120 1.00 74.13 C ATOM 588 CD1 TRP A 41 26.758 -18.129 -11.469 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.541 -16.552 -9.892 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.416 -16.954 -12.094 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.277 -15.971 -11.149 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.464 -15.750 -8.751 1.00 51.42 C ATOM 593 CZ2 TRP A 41 25.943 -14.627 -11.292 1.00 72.03 C ATOM 594 CZ3 TRP A 41 26.132 -14.416 -8.895 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.875 -13.866 -10.157 1.00 4.00 C ATOM 0 H TRP A 41 29.585 -19.861 -10.132 1.00 51.02 H new ATOM 0 HA TRP A 41 28.762 -17.857 -8.108 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.049 -19.951 -9.502 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.507 -18.860 -8.243 1.00 61.33 H new ATOM 0 HD1 TRP A 41 26.932 -19.070 -11.970 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.287 -16.833 -13.098 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.660 -16.165 -7.773 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.745 -14.200 -12.264 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 26.070 -13.787 -8.019 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.618 -12.820 -10.236 1.00 4.00 H new ATOM 606 N GLU A 42 29.315 -19.471 -6.332 1.00 14.31 N ATOM 607 CA GLU A 42 29.607 -20.393 -5.241 1.00 22.31 C ATOM 608 C GLU A 42 28.391 -20.565 -4.333 1.00 30.22 C ATOM 609 O GLU A 42 27.500 -19.717 -4.280 1.00 23.11 O ATOM 610 CB GLU A 42 30.799 -19.891 -4.424 1.00 42.11 C ATOM 611 CG GLU A 42 32.145 -20.303 -4.995 1.00 72.32 C ATOM 612 CD GLU A 42 33.219 -20.420 -3.931 1.00 0.20 C ATOM 613 OE1 GLU A 42 33.259 -19.556 -3.030 1.00 22.10 O1- ATOM 614 OE2 GLU A 42 34.021 -21.375 -3.999 1.00 22.45 O ATOM 0 H GLU A 42 29.457 -18.487 -6.103 1.00 14.31 H new ATOM 0 HA GLU A 42 29.855 -21.361 -5.675 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.756 -18.803 -4.365 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.715 -20.269 -3.405 1.00 42.11 H new ATOM 0 HG2 GLU A 42 32.041 -21.259 -5.507 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.457 -19.573 -5.742 1.00 72.32 H new ATOM 621 N PRO A 43 28.352 -21.690 -3.604 1.00 55.32 N ATOM 622 CA PRO A 43 27.252 -22.000 -2.686 1.00 0.45 C ATOM 623 C PRO A 43 27.244 -21.089 -1.463 1.00 61.23 C ATOM 624 O PRO A 43 28.201 -21.061 -0.690 1.00 55.41 O ATOM 625 CB PRO A 43 27.532 -23.447 -2.273 1.00 61.34 C ATOM 626 CG PRO A 43 29.003 -23.614 -2.450 1.00 40.42 C ATOM 627 CD PRO A 43 29.380 -22.744 -3.617 1.00 75.22 C ATOM 0 HA PRO A 43 26.278 -21.857 -3.154 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.234 -23.629 -1.240 1.00 61.34 H new ATOM 0 HB3 PRO A 43 26.976 -24.150 -2.893 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.541 -23.315 -1.550 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.257 -24.656 -2.642 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.382 -22.330 -3.502 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.371 -23.302 -4.553 1.00 75.22 H new ATOM 635 N PHE A 44 26.155 -20.346 -1.293 1.00 1.12 N ATOM 636 CA PHE A 44 26.021 -19.433 -0.164 1.00 62.35 C ATOM 637 C PHE A 44 25.020 -19.971 0.855 1.00 72.22 C ATOM 638 O PHE A 44 25.342 -20.131 2.033 1.00 41.04 O ATOM 639 CB PHE A 44 25.580 -18.051 -0.647 1.00 22.21 C ATOM 640 CG PHE A 44 25.547 -17.017 0.442 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.712 -16.633 1.086 1.00 54.50 C ATOM 642 CD2 PHE A 44 24.351 -16.428 0.820 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.684 -15.683 2.090 1.00 13.33 C ATOM 644 CE2 PHE A 44 24.317 -15.476 1.823 1.00 23.30 C ATOM 645 CZ PHE A 44 25.486 -15.103 2.458 1.00 2.44 C ATOM 0 H PHE A 44 25.353 -20.358 -1.923 1.00 1.12 H new ATOM 0 HA PHE A 44 26.995 -19.348 0.319 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.257 -17.717 -1.434 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.588 -18.130 -1.092 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.652 -17.081 0.801 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.435 -16.716 0.326 1.00 44.44 H new ATOM 0 HE1 PHE A 44 27.599 -15.395 2.586 1.00 13.33 H new ATOM 0 HE2 PHE A 44 23.378 -15.025 2.109 1.00 23.30 H new ATOM 0 HZ PHE A 44 25.463 -14.359 3.241 1.00 2.44 H new ATOM 655 N ALA A 45 23.805 -20.248 0.393 1.00 74.54 N ATOM 656 CA ALA A 45 22.757 -20.768 1.261 1.00 71.13 C ATOM 657 C ALA A 45 21.708 -21.530 0.460 1.00 63.11 C ATOM 658 O ALA A 45 21.767 -21.580 -0.768 1.00 0.42 O ATOM 659 CB ALA A 45 22.108 -19.636 2.044 1.00 14.12 C ATOM 0 H ALA A 45 23.523 -20.121 -0.579 1.00 74.54 H new ATOM 0 HA ALA A 45 23.215 -21.464 1.964 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.327 -20.040 2.688 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.861 -19.138 2.655 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.671 -18.918 1.350 1.00 14.12 H new ATOM 665 N SER A 46 20.748 -22.122 1.163 1.00 60.52 N ATOM 666 CA SER A 46 19.686 -22.886 0.516 1.00 52.32 C ATOM 667 C SER A 46 18.603 -23.267 1.520 1.00 40.50 C ATOM 668 O SER A 46 18.872 -23.427 2.710 1.00 65.02 O ATOM 669 CB SER A 46 20.260 -24.145 -0.136 1.00 70.12 C ATOM 670 OG SER A 46 19.282 -25.167 -0.218 1.00 13.53 O ATOM 0 H SER A 46 20.683 -22.088 2.180 1.00 60.52 H new ATOM 0 HA SER A 46 19.238 -22.259 -0.255 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.626 -23.907 -1.135 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.114 -24.500 0.441 1.00 70.12 H new ATOM 0 HG SER A 46 18.503 -24.835 -0.711 1.00 13.53 H new ATOM 676 N GLY A 47 17.376 -23.413 1.030 1.00 11.14 N ATOM 677 CA GLY A 47 16.269 -23.774 1.896 1.00 1.53 C ATOM 678 C GLY A 47 14.956 -23.881 1.145 1.00 63.12 C ATOM 679 O GLY A 47 14.908 -23.680 -0.068 1.00 62.23 O ATOM 0 H GLY A 47 17.129 -23.288 0.048 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.486 -24.726 2.380 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.172 -23.030 2.686 1.00 1.53 H new ATOM 683 N LYS A 48 13.888 -24.201 1.868 1.00 51.41 N ATOM 684 CA LYS A 48 12.567 -24.334 1.264 1.00 3.33 C ATOM 685 C LYS A 48 11.572 -23.376 1.911 1.00 14.54 C ATOM 686 O LYS A 48 11.770 -22.930 3.042 1.00 53.10 O ATOM 687 CB LYS A 48 12.066 -25.775 1.399 1.00 54.50 C ATOM 688 CG LYS A 48 12.927 -26.790 0.667 1.00 35.21 C ATOM 689 CD LYS A 48 12.485 -28.213 0.965 1.00 13.00 C ATOM 690 CE LYS A 48 13.468 -29.229 0.405 1.00 55.05 C ATOM 691 NZ LYS A 48 13.297 -30.569 1.032 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.911 -24.373 2.873 1.00 51.41 H new ATOM 0 HA LYS A 48 12.651 -24.081 0.207 1.00 3.33 H new ATOM 0 HB2 LYS A 48 12.027 -26.039 2.456 1.00 54.50 H new ATOM 0 HB3 LYS A 48 11.047 -25.834 1.018 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.873 -26.608 -0.406 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.969 -26.663 0.959 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.394 -28.349 2.043 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.498 -28.386 0.537 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.330 -29.312 -0.673 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.487 -28.878 0.570 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.985 -31.234 0.624 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 13.454 -30.495 2.057 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.333 -30.915 0.853 1.00 60.34 H new ATOM 705 N THR A 49 10.503 -23.063 1.188 1.00 35.43 N ATOM 706 CA THR A 49 9.477 -22.157 1.691 1.00 51.31 C ATOM 707 C THR A 49 8.450 -22.905 2.533 1.00 3.20 C ATOM 708 O THR A 49 8.446 -24.136 2.579 1.00 55.41 O ATOM 709 CB THR A 49 8.753 -21.434 0.540 1.00 40.10 C ATOM 710 OG1 THR A 49 8.024 -22.379 -0.251 1.00 34.44 O ATOM 711 CG2 THR A 49 9.744 -20.687 -0.339 1.00 72.54 C ATOM 0 H THR A 49 10.324 -23.424 0.251 1.00 35.43 H new ATOM 0 HA THR A 49 9.983 -21.418 2.312 1.00 51.31 H new ATOM 0 HB THR A 49 8.060 -20.712 0.973 1.00 40.10 H new ATOM 0 HG1 THR A 49 7.075 -22.136 -0.259 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.209 -20.184 -1.145 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.276 -19.948 0.260 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.458 -21.393 -0.763 1.00 72.54 H new ATOM 719 N SER A 50 7.578 -22.154 3.199 1.00 13.14 N ATOM 720 CA SER A 50 6.546 -22.746 4.042 1.00 23.01 C ATOM 721 C SER A 50 5.159 -22.279 3.612 1.00 61.40 C ATOM 722 O SER A 50 4.993 -21.701 2.540 1.00 4.13 O ATOM 723 CB SER A 50 6.787 -22.382 5.509 1.00 14.25 C ATOM 724 OG SER A 50 8.168 -22.418 5.824 1.00 22.21 O ATOM 0 H SER A 50 7.566 -21.134 3.171 1.00 13.14 H new ATOM 0 HA SER A 50 6.596 -23.829 3.930 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.391 -21.386 5.709 1.00 14.25 H new ATOM 0 HB3 SER A 50 6.246 -23.076 6.153 1.00 14.25 H new ATOM 0 HG SER A 50 8.295 -22.180 6.766 1.00 22.21 H new ATOM 730 N GLU A 51 4.167 -22.538 4.458 1.00 40.23 N ATOM 731 CA GLU A 51 2.793 -22.145 4.165 1.00 60.32 C ATOM 732 C GLU A 51 2.691 -20.638 3.954 1.00 42.55 C ATOM 733 O GLU A 51 1.728 -20.146 3.365 1.00 73.13 O ATOM 734 CB GLU A 51 1.863 -22.578 5.300 1.00 71.34 C ATOM 735 CG GLU A 51 2.409 -22.271 6.684 1.00 5.20 C ATOM 736 CD GLU A 51 1.416 -21.520 7.550 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.602 -22.183 8.229 1.00 12.23 O ATOM 738 OE2 GLU A 51 1.451 -20.272 7.549 1.00 51.42 O1- ATOM 0 H GLU A 51 4.288 -23.017 5.350 1.00 40.23 H new ATOM 0 HA GLU A 51 2.488 -22.643 3.245 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.901 -22.081 5.180 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.680 -23.650 5.220 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.683 -23.204 7.177 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.321 -21.681 6.588 1.00 5.20 H new ATOM 745 N SER A 52 3.690 -19.909 4.442 1.00 0.31 N ATOM 746 CA SER A 52 3.712 -18.457 4.312 1.00 24.21 C ATOM 747 C SER A 52 4.413 -18.037 3.023 1.00 24.50 C ATOM 748 O SER A 52 4.231 -16.920 2.539 1.00 12.24 O ATOM 749 CB SER A 52 4.413 -17.826 5.516 1.00 63.01 C ATOM 750 OG SER A 52 4.496 -16.418 5.378 1.00 15.33 O ATOM 0 H SER A 52 4.495 -20.301 4.931 1.00 0.31 H new ATOM 0 HA SER A 52 2.681 -18.105 4.276 1.00 24.21 H new ATOM 0 HB2 SER A 52 3.870 -18.074 6.428 1.00 63.01 H new ATOM 0 HB3 SER A 52 5.414 -18.244 5.618 1.00 63.01 H new ATOM 0 HG SER A 52 4.674 -16.013 6.253 1.00 15.33 H new ATOM 756 N GLY A 53 5.216 -18.942 2.472 1.00 45.14 N ATOM 757 CA GLY A 53 5.933 -18.648 1.245 1.00 60.22 C ATOM 758 C GLY A 53 7.191 -17.838 1.489 1.00 74.10 C ATOM 759 O GLY A 53 7.931 -17.534 0.554 1.00 12.51 O ATOM 0 H GLY A 53 5.383 -19.873 2.853 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.196 -19.582 0.749 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.278 -18.101 0.567 1.00 60.22 H new ATOM 763 N GLU A 54 7.432 -17.486 2.748 1.00 43.33 N ATOM 764 CA GLU A 54 8.608 -16.704 3.111 1.00 51.21 C ATOM 765 C GLU A 54 9.746 -17.611 3.566 1.00 32.34 C ATOM 766 O GLU A 54 9.531 -18.576 4.301 1.00 45.34 O ATOM 767 CB GLU A 54 8.262 -15.706 4.218 1.00 52.21 C ATOM 768 CG GLU A 54 7.676 -16.354 5.460 1.00 3.13 C ATOM 769 CD GLU A 54 8.570 -16.203 6.675 1.00 12.04 C ATOM 770 OE1 GLU A 54 8.779 -15.055 7.120 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 9.061 -17.234 7.181 1.00 3.21 O ATOM 0 H GLU A 54 6.829 -17.730 3.533 1.00 43.33 H new ATOM 0 HA GLU A 54 8.935 -16.156 2.227 1.00 51.21 H new ATOM 0 HB2 GLU A 54 9.162 -15.157 4.495 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.551 -14.977 3.829 1.00 52.21 H new ATOM 0 HG2 GLU A 54 6.703 -15.910 5.672 1.00 3.13 H new ATOM 0 HG3 GLU A 54 7.508 -17.414 5.267 1.00 3.13 H new ATOM 778 N LEU A 55 10.959 -17.297 3.124 1.00 2.41 N ATOM 779 CA LEU A 55 12.134 -18.083 3.484 1.00 22.44 C ATOM 780 C LEU A 55 13.271 -17.181 3.952 1.00 75.42 C ATOM 781 O LEU A 55 13.919 -16.513 3.145 1.00 42.00 O ATOM 782 CB LEU A 55 12.592 -18.927 2.294 1.00 1.43 C ATOM 783 CG LEU A 55 13.837 -19.785 2.520 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.678 -20.638 3.770 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.108 -20.662 1.306 1.00 12.22 C ATOM 0 H LEU A 55 11.155 -16.503 2.515 1.00 2.41 H new ATOM 0 HA LEU A 55 11.860 -18.745 4.306 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.772 -19.582 2.002 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.782 -18.260 1.453 1.00 1.43 H new ATOM 0 HG LEU A 55 14.690 -19.122 2.663 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.574 -21.242 3.915 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.532 -19.992 4.635 1.00 65.40 H new ATOM 0 HD13 LEU A 55 12.814 -21.292 3.656 1.00 65.40 H new ATOM 0 HD21 LEU A 55 14.998 -21.266 1.485 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.254 -21.317 1.132 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.267 -20.032 0.430 1.00 12.22 H new ATOM 797 N HIS A 56 13.510 -17.167 5.259 1.00 62.22 N ATOM 798 CA HIS A 56 14.572 -16.348 5.834 1.00 52.21 C ATOM 799 C HIS A 56 15.419 -17.162 6.807 1.00 65.14 C ATOM 800 O HIS A 56 15.095 -18.308 7.120 1.00 61.43 O ATOM 801 CB HIS A 56 13.978 -15.134 6.548 1.00 44.24 C ATOM 802 CG HIS A 56 12.948 -15.488 7.576 1.00 31.34 C ATOM 803 ND1 HIS A 56 13.138 -15.299 8.929 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.712 -16.021 7.444 1.00 65.14 C ATOM 805 CE1 HIS A 56 12.064 -15.701 9.583 1.00 13.10 C ATOM 806 NE2 HIS A 56 11.183 -16.145 8.704 1.00 75.35 N ATOM 0 H HIS A 56 12.983 -17.713 5.940 1.00 62.22 H new ATOM 0 HA HIS A 56 15.213 -16.005 5.022 1.00 52.21 H new ATOM 0 HB2 HIS A 56 14.782 -14.576 7.028 1.00 44.24 H new ATOM 0 HB3 HIS A 56 13.528 -14.472 5.808 1.00 44.24 H new ATOM 0 HD2 HIS A 56 11.230 -16.298 6.518 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.929 -15.672 10.654 1.00 13.10 H new ATOM 0 HE2 HIS A 56 10.260 -16.519 8.926 1.00 75.35 H new ATOM 814 N GLY A 57 16.507 -16.563 7.282 1.00 54.50 N ATOM 815 CA GLY A 57 17.384 -17.248 8.214 1.00 51.11 C ATOM 816 C GLY A 57 18.506 -17.989 7.515 1.00 44.14 C ATOM 817 O GLY A 57 19.339 -18.624 8.164 1.00 3.50 O ATOM 0 H GLY A 57 16.797 -15.616 7.038 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.809 -16.523 8.909 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.801 -17.953 8.806 1.00 51.11 H new ATOM 821 N LEU A 58 18.529 -17.912 6.190 1.00 1.11 N ATOM 822 CA LEU A 58 19.557 -18.584 5.402 1.00 53.45 C ATOM 823 C LEU A 58 20.951 -18.226 5.906 1.00 62.15 C ATOM 824 O LEU A 58 21.797 -19.099 6.098 1.00 35.35 O ATOM 825 CB LEU A 58 19.424 -18.205 3.925 1.00 64.24 C ATOM 826 CG LEU A 58 18.442 -19.042 3.103 1.00 4.24 C ATOM 827 CD1 LEU A 58 18.243 -18.430 1.725 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.934 -20.476 2.985 1.00 62.04 C ATOM 0 H LEU A 58 17.848 -17.391 5.638 1.00 1.11 H new ATOM 0 HA LEU A 58 19.417 -19.660 5.510 1.00 53.45 H new ATOM 0 HB2 LEU A 58 19.119 -17.160 3.865 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.408 -18.277 3.462 1.00 64.24 H new ATOM 0 HG LEU A 58 17.481 -19.049 3.617 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.542 -19.039 1.154 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.846 -17.420 1.829 1.00 55.53 H new ATOM 0 HD13 LEU A 58 19.199 -18.392 1.202 1.00 55.53 H new ATOM 0 HD21 LEU A 58 18.223 -21.057 2.397 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.907 -20.488 2.493 1.00 62.04 H new ATOM 0 HD23 LEU A 58 19.025 -20.912 3.980 1.00 62.04 H new ATOM 840 N THR A 59 21.182 -16.934 6.123 1.00 11.10 N ATOM 841 CA THR A 59 22.473 -16.461 6.606 1.00 32.02 C ATOM 842 C THR A 59 22.308 -15.241 7.507 1.00 65.34 C ATOM 843 O THR A 59 21.190 -14.796 7.770 1.00 12.31 O ATOM 844 CB THR A 59 23.413 -16.100 5.440 1.00 50.44 C ATOM 845 OG1 THR A 59 22.712 -15.311 4.472 1.00 55.13 O ATOM 846 CG2 THR A 59 23.960 -17.356 4.778 1.00 44.44 C ATOM 0 H THR A 59 20.492 -16.198 5.972 1.00 11.10 H new ATOM 0 HA THR A 59 22.914 -17.277 7.178 1.00 32.02 H new ATOM 0 HB THR A 59 24.249 -15.525 5.840 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.240 -15.259 3.648 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.621 -17.076 3.958 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.517 -17.940 5.510 1.00 44.44 H new ATOM 0 HG23 THR A 59 23.134 -17.953 4.391 1.00 44.44 H new ATOM 854 N THR A 60 23.429 -14.703 7.977 1.00 54.44 N ATOM 855 CA THR A 60 23.410 -13.535 8.849 1.00 13.13 C ATOM 856 C THR A 60 23.913 -12.296 8.119 1.00 21.15 C ATOM 857 O THR A 60 24.412 -12.385 6.998 1.00 14.52 O ATOM 858 CB THR A 60 24.267 -13.759 10.108 1.00 25.41 C ATOM 859 OG1 THR A 60 25.587 -14.170 9.735 1.00 64.13 O ATOM 860 CG2 THR A 60 23.640 -14.810 11.011 1.00 52.01 C ATOM 0 H THR A 60 24.362 -15.058 7.768 1.00 54.44 H new ATOM 0 HA THR A 60 22.373 -13.381 9.148 1.00 13.13 H new ATOM 0 HB THR A 60 24.320 -12.818 10.656 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.126 -14.309 10.541 1.00 64.13 H new ATOM 0 HG21 THR A 60 24.264 -14.950 11.894 1.00 52.01 H new ATOM 0 HG22 THR A 60 22.647 -14.481 11.317 1.00 52.01 H new ATOM 0 HG23 THR A 60 23.559 -15.753 10.470 1.00 52.01 H new ATOM 868 N GLU A 61 23.779 -11.140 8.762 1.00 22.20 N ATOM 869 CA GLU A 61 24.222 -9.882 8.173 1.00 34.44 C ATOM 870 C GLU A 61 25.744 -9.784 8.181 1.00 75.15 C ATOM 871 O GLU A 61 26.337 -9.101 7.345 1.00 20.20 O ATOM 872 CB GLU A 61 23.619 -8.698 8.931 1.00 63.34 C ATOM 873 CG GLU A 61 23.777 -7.370 8.209 1.00 15.31 C ATOM 874 CD GLU A 61 23.061 -6.234 8.914 1.00 74.31 C ATOM 875 OE1 GLU A 61 21.818 -6.161 8.811 1.00 31.33 O ATOM 876 OE2 GLU A 61 23.743 -5.419 9.570 1.00 53.10 O1- ATOM 0 H GLU A 61 23.367 -11.049 9.691 1.00 22.20 H new ATOM 0 HA GLU A 61 23.879 -9.854 7.139 1.00 34.44 H new ATOM 0 HB2 GLU A 61 22.559 -8.887 9.099 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.090 -8.627 9.912 1.00 63.34 H new ATOM 0 HG2 GLU A 61 24.837 -7.130 8.125 1.00 15.31 H new ATOM 0 HG3 GLU A 61 23.390 -7.464 7.194 1.00 15.31 H new ATOM 883 N GLU A 62 26.371 -10.470 9.130 1.00 42.53 N ATOM 884 CA GLU A 62 27.825 -10.459 9.248 1.00 43.33 C ATOM 885 C GLU A 62 28.462 -11.376 8.208 1.00 65.32 C ATOM 886 O GLU A 62 29.611 -11.180 7.813 1.00 62.24 O ATOM 887 CB GLU A 62 28.249 -10.889 10.653 1.00 54.13 C ATOM 888 CG GLU A 62 27.439 -10.235 11.760 1.00 32.32 C ATOM 889 CD GLU A 62 28.312 -9.600 12.824 1.00 63.21 C ATOM 890 OE1 GLU A 62 29.236 -10.281 13.317 1.00 22.34 O1- ATOM 891 OE2 GLU A 62 28.073 -8.423 13.165 1.00 12.42 O ATOM 0 H GLU A 62 25.896 -11.041 9.829 1.00 42.53 H new ATOM 0 HA GLU A 62 28.171 -9.441 9.069 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.155 -11.972 10.736 1.00 54.13 H new ATOM 0 HB3 GLU A 62 29.303 -10.649 10.795 1.00 54.13 H new ATOM 0 HG2 GLU A 62 26.788 -9.475 11.328 1.00 32.32 H new ATOM 0 HG3 GLU A 62 26.794 -10.982 12.223 1.00 32.32 H new ATOM 898 N GLU A 63 27.708 -12.380 7.771 1.00 72.05 N ATOM 899 CA GLU A 63 28.199 -13.329 6.780 1.00 4.24 C ATOM 900 C GLU A 63 27.804 -12.896 5.370 1.00 63.22 C ATOM 901 O GLU A 63 28.510 -13.179 4.402 1.00 24.32 O ATOM 902 CB GLU A 63 27.653 -14.729 7.067 1.00 2.20 C ATOM 903 CG GLU A 63 28.160 -15.789 6.104 1.00 63.03 C ATOM 904 CD GLU A 63 29.624 -16.122 6.321 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.076 -16.074 7.484 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 30.317 -16.430 5.330 1.00 13.21 O ATOM 0 H GLU A 63 26.755 -12.557 8.088 1.00 72.05 H new ATOM 0 HA GLU A 63 29.287 -13.351 6.844 1.00 4.24 H new ATOM 0 HB2 GLU A 63 27.924 -15.014 8.084 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.564 -14.701 7.023 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.564 -16.694 6.220 1.00 63.03 H new ATOM 0 HG3 GLU A 63 28.018 -15.442 5.080 1.00 63.03 H new ATOM 913 N PHE A 64 26.671 -12.210 5.264 1.00 65.55 N ATOM 914 CA PHE A 64 26.181 -11.739 3.973 1.00 2.44 C ATOM 915 C PHE A 64 26.958 -10.508 3.513 1.00 64.41 C ATOM 916 O PHE A 64 26.485 -9.379 3.640 1.00 23.03 O ATOM 917 CB PHE A 64 24.689 -11.412 4.059 1.00 11.52 C ATOM 918 CG PHE A 64 23.985 -11.474 2.734 1.00 62.32 C ATOM 919 CD1 PHE A 64 24.252 -10.538 1.748 1.00 2.21 C ATOM 920 CD2 PHE A 64 23.055 -12.469 2.474 1.00 23.14 C ATOM 921 CE1 PHE A 64 23.604 -10.593 0.528 1.00 22.10 C ATOM 922 CE2 PHE A 64 22.406 -12.529 1.256 1.00 23.23 C ATOM 923 CZ PHE A 64 22.681 -11.590 0.282 1.00 20.10 C ATOM 0 H PHE A 64 26.075 -11.968 6.056 1.00 65.55 H new ATOM 0 HA PHE A 64 26.330 -12.535 3.243 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.212 -12.109 4.748 1.00 11.52 H new ATOM 0 HB3 PHE A 64 24.568 -10.414 4.480 1.00 11.52 H new ATOM 0 HD1 PHE A 64 24.974 -9.757 1.934 1.00 2.21 H new ATOM 0 HD2 PHE A 64 22.835 -13.206 3.233 1.00 23.14 H new ATOM 0 HE1 PHE A 64 23.820 -9.857 -0.232 1.00 22.10 H new ATOM 0 HE2 PHE A 64 21.684 -13.310 1.066 1.00 23.23 H new ATOM 0 HZ PHE A 64 22.175 -11.635 -0.671 1.00 20.10 H new ATOM 933 N VAL A 65 28.153 -10.737 2.977 1.00 21.05 N ATOM 934 CA VAL A 65 28.995 -9.648 2.497 1.00 15.40 C ATOM 935 C VAL A 65 28.385 -8.982 1.268 1.00 44.42 C ATOM 936 O VAL A 65 27.321 -9.382 0.797 1.00 15.41 O ATOM 937 CB VAL A 65 30.410 -10.146 2.147 1.00 4.22 C ATOM 938 CG1 VAL A 65 31.164 -10.542 3.406 1.00 44.35 C ATOM 939 CG2 VAL A 65 30.338 -11.310 1.170 1.00 3.14 C ATOM 0 H VAL A 65 28.559 -11.666 2.864 1.00 21.05 H new ATOM 0 HA VAL A 65 29.063 -8.920 3.306 1.00 15.40 H new ATOM 0 HB VAL A 65 30.954 -9.332 1.668 1.00 4.22 H new ATOM 0 HG11 VAL A 65 32.161 -10.891 3.138 1.00 44.35 H new ATOM 0 HG12 VAL A 65 31.247 -9.679 4.067 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.625 -11.340 3.917 1.00 44.35 H new ATOM 0 HG21 VAL A 65 31.346 -11.649 0.933 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.776 -12.128 1.620 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.840 -10.987 0.256 1.00 3.14 H new ATOM 949 N GLU A 66 29.066 -7.962 0.755 1.00 71.12 N ATOM 950 CA GLU A 66 28.589 -7.240 -0.418 1.00 72.12 C ATOM 951 C GLU A 66 28.993 -7.960 -1.702 1.00 23.14 C ATOM 952 O GLU A 66 30.004 -8.659 -1.743 1.00 1.30 O ATOM 953 CB GLU A 66 29.142 -5.813 -0.426 1.00 3.54 C ATOM 954 CG GLU A 66 30.638 -5.741 -0.680 1.00 73.15 C ATOM 955 CD GLU A 66 31.142 -4.315 -0.801 1.00 11.41 C ATOM 956 OE1 GLU A 66 31.317 -3.657 0.245 1.00 63.51 O ATOM 957 OE2 GLU A 66 31.360 -3.859 -1.944 1.00 4.44 O1- ATOM 0 H GLU A 66 29.949 -7.618 1.133 1.00 71.12 H new ATOM 0 HA GLU A 66 27.501 -7.201 -0.370 1.00 72.12 H new ATOM 0 HB2 GLU A 66 28.624 -5.236 -1.192 1.00 3.54 H new ATOM 0 HB3 GLU A 66 28.922 -5.342 0.532 1.00 3.54 H new ATOM 0 HG2 GLU A 66 31.165 -6.241 0.133 1.00 73.15 H new ATOM 0 HG3 GLU A 66 30.874 -6.285 -1.595 1.00 73.15 H new ATOM 964 N GLY A 67 28.194 -7.783 -2.749 1.00 24.52 N ATOM 965 CA GLY A 67 28.484 -8.422 -4.020 1.00 43.11 C ATOM 966 C GLY A 67 27.230 -8.886 -4.735 1.00 53.01 C ATOM 967 O GLY A 67 26.125 -8.451 -4.409 1.00 30.33 O ATOM 0 H GLY A 67 27.351 -7.209 -2.740 1.00 24.52 H new ATOM 0 HA2 GLY A 67 29.026 -7.724 -4.659 1.00 43.11 H new ATOM 0 HA3 GLY A 67 29.140 -9.276 -3.852 1.00 43.11 H new ATOM 971 N ILE A 68 27.402 -9.769 -5.713 1.00 63.14 N ATOM 972 CA ILE A 68 26.274 -10.291 -6.475 1.00 74.20 C ATOM 973 C ILE A 68 25.889 -11.689 -6.000 1.00 31.45 C ATOM 974 O ILE A 68 26.741 -12.464 -5.565 1.00 12.54 O ATOM 975 CB ILE A 68 26.590 -10.342 -7.982 1.00 73.34 C ATOM 976 CG1 ILE A 68 27.180 -9.009 -8.447 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.336 -10.677 -8.775 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.686 -9.029 -8.581 1.00 72.12 C ATOM 0 H ILE A 68 28.310 -10.137 -5.996 1.00 63.14 H new ATOM 0 HA ILE A 68 25.438 -9.611 -6.309 1.00 74.20 H new ATOM 0 HB ILE A 68 27.327 -11.125 -8.157 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.741 -8.742 -9.409 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.897 -8.229 -7.740 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.575 -10.709 -9.838 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.954 -11.648 -8.459 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.578 -9.914 -8.597 1.00 20.00 H new ATOM 0 HD11 ILE A 68 29.035 -8.051 -8.914 1.00 72.12 H new ATOM 0 HD12 ILE A 68 29.134 -9.264 -7.616 1.00 72.12 H new ATOM 0 HD13 ILE A 68 28.976 -9.786 -9.310 1.00 72.12 H new ATOM 990 N TYR A 69 24.602 -12.004 -6.090 1.00 70.53 N ATOM 991 CA TYR A 69 24.104 -13.307 -5.669 1.00 5.55 C ATOM 992 C TYR A 69 23.042 -13.822 -6.636 1.00 31.10 C ATOM 993 O TYR A 69 22.253 -13.050 -7.181 1.00 43.33 O ATOM 994 CB TYR A 69 23.524 -13.223 -4.256 1.00 75.15 C ATOM 995 CG TYR A 69 24.546 -12.858 -3.203 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.899 -11.534 -2.978 1.00 43.05 C ATOM 997 CD2 TYR A 69 25.158 -13.840 -2.432 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.833 -11.197 -2.017 1.00 42.14 C ATOM 999 CE2 TYR A 69 26.092 -13.512 -1.468 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.427 -12.189 -1.265 1.00 12.51 C ATOM 1001 OH TYR A 69 27.356 -11.858 -0.306 1.00 52.05 O ATOM 0 H TYR A 69 23.885 -11.375 -6.451 1.00 70.53 H new ATOM 0 HA TYR A 69 24.941 -14.005 -5.670 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.723 -12.484 -4.244 1.00 75.15 H new ATOM 0 HB3 TYR A 69 23.076 -14.183 -3.998 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.436 -10.754 -3.564 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.899 -14.877 -2.589 1.00 31.25 H new ATOM 0 HE1 TYR A 69 26.097 -10.162 -1.856 1.00 42.14 H new ATOM 0 HE2 TYR A 69 26.557 -14.287 -0.877 1.00 72.34 H new ATOM 0 HH TYR A 69 27.242 -10.919 -0.051 1.00 52.05 H new ATOM 1011 N LYS A 70 23.029 -15.135 -6.845 1.00 53.33 N ATOM 1012 CA LYS A 70 22.065 -15.757 -7.744 1.00 53.10 C ATOM 1013 C LYS A 70 21.139 -16.700 -6.981 1.00 14.23 C ATOM 1014 O LYS A 70 21.596 -17.604 -6.282 1.00 71.33 O ATOM 1015 CB LYS A 70 22.791 -16.524 -8.851 1.00 4.23 C ATOM 1016 CG LYS A 70 21.862 -17.070 -9.922 1.00 73.02 C ATOM 1017 CD LYS A 70 22.559 -18.102 -10.792 1.00 24.44 C ATOM 1018 CE LYS A 70 22.721 -19.427 -10.064 1.00 24.25 C ATOM 1019 NZ LYS A 70 23.956 -20.146 -10.484 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.676 -15.788 -6.403 1.00 53.33 H new ATOM 0 HA LYS A 70 21.462 -14.968 -8.192 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.523 -15.865 -9.318 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.345 -17.351 -8.406 1.00 4.23 H new ATOM 0 HG2 LYS A 70 20.988 -17.520 -9.452 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.502 -16.251 -10.545 1.00 73.02 H new ATOM 0 HD2 LYS A 70 21.986 -18.256 -11.706 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.538 -17.727 -11.089 1.00 24.44 H new ATOM 0 HE2 LYS A 70 22.753 -19.249 -8.989 1.00 24.25 H new ATOM 0 HE3 LYS A 70 21.852 -20.056 -10.257 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 24.214 -20.845 -9.759 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 23.785 -20.631 -11.388 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 24.733 -19.464 -10.599 1.00 5.14 H new ATOM 1033 N VAL A 71 19.834 -16.483 -7.122 1.00 73.11 N ATOM 1034 CA VAL A 71 18.845 -17.314 -6.448 1.00 34.45 C ATOM 1035 C VAL A 71 18.081 -18.177 -7.446 1.00 63.22 C ATOM 1036 O VAL A 71 17.573 -17.679 -8.450 1.00 63.42 O ATOM 1037 CB VAL A 71 17.841 -16.459 -5.651 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.738 -17.331 -5.073 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.554 -15.688 -4.552 1.00 13.51 C ATOM 0 H VAL A 71 19.439 -15.739 -7.697 1.00 73.11 H new ATOM 0 HA VAL A 71 19.390 -17.957 -5.758 1.00 34.45 H new ATOM 0 HB VAL A 71 17.383 -15.739 -6.330 1.00 32.41 H new ATOM 0 HG11 VAL A 71 16.039 -16.710 -4.514 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.209 -17.833 -5.883 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.174 -18.076 -4.407 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.830 -15.089 -3.999 1.00 13.51 H new ATOM 0 HG22 VAL A 71 19.040 -16.388 -3.873 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.304 -15.033 -4.995 1.00 13.51 H new ATOM 1049 N GLU A 72 18.005 -19.473 -7.162 1.00 52.24 N ATOM 1050 CA GLU A 72 17.302 -20.406 -8.037 1.00 34.02 C ATOM 1051 C GLU A 72 16.118 -21.042 -7.314 1.00 45.41 C ATOM 1052 O GLU A 72 16.264 -21.583 -6.217 1.00 32.53 O ATOM 1053 CB GLU A 72 18.257 -21.495 -8.531 1.00 24.24 C ATOM 1054 CG GLU A 72 19.513 -20.949 -9.189 1.00 50.22 C ATOM 1055 CD GLU A 72 20.700 -20.917 -8.246 1.00 65.25 C ATOM 1056 OE1 GLU A 72 20.676 -20.115 -7.289 1.00 24.10 O1- ATOM 1057 OE2 GLU A 72 21.653 -21.695 -8.465 1.00 13.41 O ATOM 0 H GLU A 72 18.420 -19.901 -6.335 1.00 52.24 H new ATOM 0 HA GLU A 72 16.925 -19.847 -8.894 1.00 34.02 H new ATOM 0 HB2 GLU A 72 18.543 -22.126 -7.689 1.00 24.24 H new ATOM 0 HB3 GLU A 72 17.732 -22.132 -9.242 1.00 24.24 H new ATOM 0 HG2 GLU A 72 19.760 -21.561 -10.056 1.00 50.22 H new ATOM 0 HG3 GLU A 72 19.318 -19.941 -9.555 1.00 50.22 H new ATOM 1064 N ILE A 73 14.946 -20.973 -7.937 1.00 61.12 N ATOM 1065 CA ILE A 73 13.737 -21.542 -7.354 1.00 75.21 C ATOM 1066 C ILE A 73 13.272 -22.764 -8.139 1.00 61.50 C ATOM 1067 O ILE A 73 13.250 -22.752 -9.369 1.00 61.15 O ATOM 1068 CB ILE A 73 12.596 -20.510 -7.307 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.095 -19.190 -6.717 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.426 -21.051 -6.498 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.047 -18.100 -6.702 1.00 64.32 C ATOM 0 H ILE A 73 14.808 -20.529 -8.845 1.00 61.12 H new ATOM 0 HA ILE A 73 13.987 -21.841 -6.336 1.00 75.21 H new ATOM 0 HB ILE A 73 12.253 -20.323 -8.325 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.441 -19.365 -5.698 1.00 2.24 H new ATOM 0 HG13 ILE A 73 13.956 -18.847 -7.291 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.627 -20.310 -6.474 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.057 -21.967 -6.959 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.755 -21.264 -5.481 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.471 -17.193 -6.270 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.718 -17.897 -7.721 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.195 -18.423 -6.103 1.00 64.32 H new ATOM 1083 N ASP A 74 12.899 -23.816 -7.419 1.00 20.43 N ATOM 1084 CA ASP A 74 12.430 -25.045 -8.047 1.00 51.21 C ATOM 1085 C ASP A 74 10.908 -25.137 -7.995 1.00 25.22 C ATOM 1086 O ASP A 74 10.341 -25.709 -7.064 1.00 75.54 O ATOM 1087 CB ASP A 74 13.050 -26.263 -7.360 1.00 1.22 C ATOM 1088 CG ASP A 74 13.219 -27.437 -8.304 1.00 72.00 C ATOM 1089 OD1 ASP A 74 13.356 -27.203 -9.523 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 13.213 -28.590 -7.824 1.00 5.22 O ATOM 0 H ASP A 74 12.912 -23.842 -6.399 1.00 20.43 H new ATOM 0 HA ASP A 74 12.739 -25.030 -9.092 1.00 51.21 H new ATOM 0 HB2 ASP A 74 14.021 -25.989 -6.948 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.421 -26.563 -6.521 1.00 1.22 H new ATOM 1095 N THR A 75 10.252 -24.567 -9.001 1.00 25.23 N ATOM 1096 CA THR A 75 8.796 -24.580 -9.068 1.00 73.01 C ATOM 1097 C THR A 75 8.273 -25.983 -9.360 1.00 65.31 C ATOM 1098 O THR A 75 7.153 -26.330 -8.985 1.00 53.44 O ATOM 1099 CB THR A 75 8.274 -23.615 -10.149 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.495 -24.171 -11.450 1.00 31.11 O ATOM 1101 CG2 THR A 75 8.964 -22.263 -10.045 1.00 30.20 C ATOM 0 H THR A 75 10.706 -24.091 -9.780 1.00 25.23 H new ATOM 0 HA THR A 75 8.431 -24.253 -8.094 1.00 73.01 H new ATOM 0 HB THR A 75 7.205 -23.472 -9.993 1.00 32.14 H new ATOM 0 HG1 THR A 75 7.726 -24.722 -11.705 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.580 -21.598 -10.818 1.00 30.20 H new ATOM 0 HG22 THR A 75 8.769 -21.830 -9.064 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.038 -22.392 -10.178 1.00 30.20 H new ATOM 1109 N LYS A 76 9.091 -26.787 -10.031 1.00 33.31 N ATOM 1110 CA LYS A 76 8.713 -28.152 -10.373 1.00 53.53 C ATOM 1111 C LYS A 76 8.247 -28.913 -9.135 1.00 52.22 C ATOM 1112 O LYS A 76 7.283 -29.677 -9.190 1.00 33.40 O ATOM 1113 CB LYS A 76 9.891 -28.883 -11.021 1.00 42.11 C ATOM 1114 CG LYS A 76 11.117 -28.972 -10.128 1.00 35.11 C ATOM 1115 CD LYS A 76 11.160 -30.286 -9.368 1.00 64.45 C ATOM 1116 CE LYS A 76 12.006 -31.322 -10.093 1.00 4.34 C ATOM 1117 NZ LYS A 76 13.460 -31.021 -9.991 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.021 -26.516 -10.349 1.00 33.31 H new ATOM 0 HA LYS A 76 7.887 -28.107 -11.083 1.00 53.53 H new ATOM 0 HB2 LYS A 76 9.577 -29.890 -11.294 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.161 -28.372 -11.945 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.017 -28.872 -10.734 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.114 -28.142 -9.421 1.00 35.11 H new ATOM 0 HD2 LYS A 76 11.565 -30.117 -8.370 1.00 64.45 H new ATOM 0 HD3 LYS A 76 10.147 -30.667 -9.240 1.00 64.45 H new ATOM 0 HE2 LYS A 76 11.809 -32.309 -9.674 1.00 4.34 H new ATOM 0 HE3 LYS A 76 11.715 -31.358 -11.143 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 13.830 -30.773 -10.931 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 13.604 -30.223 -9.340 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 13.963 -31.857 -9.630 1.00 11.00 H new ATOM 1131 N SER A 77 8.937 -28.699 -8.020 1.00 50.35 N ATOM 1132 CA SER A 77 8.596 -29.367 -6.769 1.00 24.21 C ATOM 1133 C SER A 77 7.190 -28.984 -6.315 1.00 74.33 C ATOM 1134 O SER A 77 6.482 -29.787 -5.708 1.00 24.13 O ATOM 1135 CB SER A 77 9.610 -29.008 -5.681 1.00 2.11 C ATOM 1136 OG SER A 77 10.709 -29.902 -5.695 1.00 64.04 O ATOM 0 H SER A 77 9.736 -28.068 -7.957 1.00 50.35 H new ATOM 0 HA SER A 77 8.624 -30.443 -6.941 1.00 24.21 H new ATOM 0 HB2 SER A 77 9.964 -27.988 -5.832 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.126 -29.036 -4.705 1.00 2.11 H new ATOM 0 HG SER A 77 11.344 -29.651 -4.992 1.00 64.04 H new ATOM 1142 N TYR A 78 6.793 -27.752 -6.615 1.00 62.35 N ATOM 1143 CA TYR A 78 5.474 -27.261 -6.237 1.00 72.42 C ATOM 1144 C TYR A 78 4.425 -27.668 -7.266 1.00 51.41 C ATOM 1145 O TYR A 78 3.245 -27.808 -6.945 1.00 23.54 O ATOM 1146 CB TYR A 78 5.497 -25.738 -6.088 1.00 12.14 C ATOM 1147 CG TYR A 78 4.220 -25.167 -5.515 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.635 -25.720 -4.383 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.599 -24.072 -6.104 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.467 -25.202 -3.856 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.433 -23.546 -5.583 1.00 34.34 C ATOM 1152 CZ TYR A 78 1.871 -24.114 -4.460 1.00 21.50 C ATOM 1153 OH TYR A 78 0.709 -23.594 -3.937 1.00 72.23 O ATOM 0 H TYR A 78 7.366 -27.075 -7.119 1.00 62.35 H new ATOM 0 HA TYR A 78 5.208 -27.709 -5.279 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.331 -25.457 -5.446 1.00 12.14 H new ATOM 0 HB3 TYR A 78 5.680 -25.288 -7.064 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.101 -26.570 -3.906 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.036 -23.625 -6.985 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.024 -25.646 -2.977 1.00 24.52 H new ATOM 0 HE2 TYR A 78 1.964 -22.694 -6.053 1.00 34.34 H new ATOM 0 HH TYR A 78 0.803 -22.624 -3.830 1.00 72.23 H new ATOM 1163 N TRP A 79 4.865 -27.856 -8.506 1.00 73.24 N ATOM 1164 CA TRP A 79 3.964 -28.248 -9.584 1.00 62.55 C ATOM 1165 C TRP A 79 3.658 -29.740 -9.523 1.00 11.32 C ATOM 1166 O TRP A 79 2.616 -30.191 -10.000 1.00 34.45 O ATOM 1167 CB TRP A 79 4.577 -27.895 -10.940 1.00 35.20 C ATOM 1168 CG TRP A 79 4.739 -26.421 -11.154 1.00 34.11 C ATOM 1169 CD1 TRP A 79 5.875 -25.768 -11.541 1.00 52.43 C ATOM 1170 CD2 TRP A 79 3.732 -25.416 -10.991 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.635 -24.419 -11.628 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.328 -24.177 -11.297 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.385 -25.442 -10.619 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.623 -22.978 -11.239 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 1.687 -24.251 -10.563 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.306 -23.032 -10.872 1.00 2.41 C ATOM 0 H TRP A 79 5.838 -27.743 -8.789 1.00 73.24 H new ATOM 0 HA TRP A 79 3.030 -27.700 -9.461 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.551 -28.376 -11.026 1.00 35.20 H new ATOM 0 HB3 TRP A 79 3.949 -28.303 -11.732 1.00 35.20 H new ATOM 0 HD1 TRP A 79 6.823 -26.243 -11.748 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.319 -23.711 -11.896 1.00 13.12 H new ATOM 0 HE3 TRP A 79 1.899 -26.376 -10.380 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.099 -22.038 -11.475 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.646 -24.259 -10.276 1.00 34.34 H new ATOM 0 HH2 TRP A 79 1.733 -22.118 -10.819 1.00 2.41 H new ATOM 1187 N LYS A 80 4.572 -30.504 -8.934 1.00 14.35 N ATOM 1188 CA LYS A 80 4.400 -31.946 -8.808 1.00 74.13 C ATOM 1189 C LYS A 80 3.479 -32.285 -7.640 1.00 72.35 C ATOM 1190 O LYS A 80 2.898 -33.368 -7.590 1.00 42.42 O ATOM 1191 CB LYS A 80 5.757 -32.628 -8.617 1.00 2.35 C ATOM 1192 CG LYS A 80 6.307 -32.502 -7.206 1.00 11.13 C ATOM 1193 CD LYS A 80 6.175 -33.807 -6.438 1.00 4.54 C ATOM 1194 CE LYS A 80 7.397 -34.692 -6.631 1.00 14.23 C ATOM 1195 NZ LYS A 80 8.483 -34.354 -5.669 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.441 -30.147 -8.536 1.00 14.35 H new ATOM 0 HA LYS A 80 3.942 -32.313 -9.726 1.00 74.13 H new ATOM 0 HB2 LYS A 80 5.662 -33.684 -8.868 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.473 -32.197 -9.317 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.356 -32.208 -7.248 1.00 11.13 H new ATOM 0 HG3 LYS A 80 5.775 -31.712 -6.676 1.00 11.13 H new ATOM 0 HD2 LYS A 80 6.042 -33.595 -5.377 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.283 -34.338 -6.771 1.00 4.54 H new ATOM 0 HE2 LYS A 80 7.113 -35.737 -6.505 1.00 14.23 H new ATOM 0 HE3 LYS A 80 7.767 -34.583 -7.650 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 9.298 -34.979 -5.832 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 8.772 -33.364 -5.806 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 8.138 -34.483 -4.696 1.00 15.12 H new ATOM 1209 N ALA A 81 3.351 -31.350 -6.703 1.00 25.24 N ATOM 1210 CA ALA A 81 2.498 -31.548 -5.538 1.00 60.14 C ATOM 1211 C ALA A 81 1.034 -31.680 -5.945 1.00 25.04 C ATOM 1212 O ALA A 81 0.278 -32.444 -5.344 1.00 75.40 O ATOM 1213 CB ALA A 81 2.673 -30.401 -4.554 1.00 62.23 C ATOM 0 H ALA A 81 3.827 -30.448 -6.729 1.00 25.24 H new ATOM 0 HA ALA A 81 2.798 -32.477 -5.053 1.00 60.14 H new ATOM 0 HB1 ALA A 81 2.030 -30.562 -3.689 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.713 -30.355 -4.230 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.402 -29.462 -5.037 1.00 62.23 H new ATOM 1219 N LEU A 82 0.640 -30.929 -6.968 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.735 -30.960 -7.455 1.00 42.14 C ATOM 1221 C LEU A 82 -0.818 -31.664 -8.805 1.00 63.11 C ATOM 1222 O LEU A 82 -1.873 -32.163 -9.193 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.288 -29.539 -7.573 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.253 -28.413 -7.568 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.608 -28.474 -8.820 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.937 -27.060 -7.454 1.00 52.23 C ATOM 0 H LEU A 82 1.253 -30.291 -7.476 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.336 -31.518 -6.737 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.865 -29.471 -8.495 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -1.982 -29.371 -6.749 1.00 1.31 H new ATOM 0 HG LEU A 82 0.394 -28.544 -6.701 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.339 -27.665 -8.799 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.128 -29.431 -8.858 1.00 30.23 H new ATOM 0 HD13 LEU A 82 -0.024 -28.369 -9.702 1.00 30.23 H new ATOM 0 HD21 LEU A 82 -0.185 -26.271 -7.452 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.608 -26.919 -8.301 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.509 -27.018 -6.527 1.00 52.23 H new ATOM 1238 N GLY A 83 0.305 -31.702 -9.517 1.00 74.15 N ATOM 1239 CA GLY A 83 0.337 -32.349 -10.816 1.00 24.44 C ATOM 1240 C GLY A 83 0.026 -31.391 -11.949 1.00 53.33 C ATOM 1241 O GLY A 83 -0.777 -31.702 -12.829 1.00 44.53 O ATOM 0 H GLY A 83 1.192 -31.297 -9.218 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.322 -32.788 -10.976 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.383 -33.168 -10.829 1.00 24.44 H new ATOM 1245 N ILE A 84 0.660 -30.223 -11.926 1.00 11.52 N ATOM 1246 CA ILE A 84 0.444 -29.218 -12.959 1.00 73.53 C ATOM 1247 C ILE A 84 1.406 -29.413 -14.126 1.00 73.31 C ATOM 1248 O ILE A 84 2.577 -29.742 -13.931 1.00 12.13 O ATOM 1249 CB ILE A 84 0.616 -27.793 -12.401 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.749 -27.180 -12.077 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.371 -26.922 -13.395 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.638 -28.087 -11.257 1.00 31.45 C ATOM 0 H ILE A 84 1.327 -29.950 -11.204 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.580 -29.342 -13.311 1.00 73.53 H new ATOM 0 HB ILE A 84 1.197 -27.847 -11.480 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.600 -26.245 -11.536 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -1.257 -26.932 -13.009 1.00 42.11 H new ATOM 0 HG21 ILE A 84 1.485 -25.918 -12.986 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.355 -27.352 -13.581 1.00 54.52 H new ATOM 0 HG23 ILE A 84 0.814 -26.872 -14.331 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.588 -27.589 -11.065 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.818 -29.012 -11.805 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -1.150 -28.315 -10.309 1.00 31.45 H new ATOM 1264 N SER A 85 0.904 -29.209 -15.340 1.00 52.21 N ATOM 1265 CA SER A 85 1.719 -29.365 -16.539 1.00 24.12 C ATOM 1266 C SER A 85 2.995 -28.534 -16.442 1.00 3.33 C ATOM 1267 O SER A 85 2.971 -27.304 -16.497 1.00 53.24 O ATOM 1268 CB SER A 85 0.922 -28.953 -17.778 1.00 54.52 C ATOM 1269 OG SER A 85 1.514 -29.466 -18.960 1.00 23.32 O ATOM 0 H SER A 85 -0.062 -28.936 -15.519 1.00 52.21 H new ATOM 0 HA SER A 85 1.997 -30.415 -16.626 1.00 24.12 H new ATOM 0 HB2 SER A 85 -0.102 -29.317 -17.693 1.00 54.52 H new ATOM 0 HB3 SER A 85 0.870 -27.866 -17.836 1.00 54.52 H new ATOM 0 HG SER A 85 0.985 -29.190 -19.737 1.00 23.32 H new ATOM 1275 N PRO A 86 4.136 -29.222 -16.294 1.00 42.12 N ATOM 1276 CA PRO A 86 5.445 -28.569 -16.186 1.00 71.24 C ATOM 1277 C PRO A 86 5.885 -27.931 -17.499 1.00 40.35 C ATOM 1278 O PRO A 86 6.376 -28.614 -18.398 1.00 12.43 O ATOM 1279 CB PRO A 86 6.384 -29.717 -15.808 1.00 45.12 C ATOM 1280 CG PRO A 86 5.717 -30.941 -16.334 1.00 24.31 C ATOM 1281 CD PRO A 86 4.240 -30.689 -16.221 1.00 65.12 C ATOM 0 HA PRO A 86 5.435 -27.753 -15.463 1.00 71.24 H new ATOM 0 HB2 PRO A 86 7.371 -29.583 -16.250 1.00 45.12 H new ATOM 0 HB3 PRO A 86 6.524 -29.775 -14.729 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.003 -31.127 -17.369 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.008 -31.821 -15.760 1.00 24.31 H new ATOM 0 HD2 PRO A 86 3.688 -31.171 -17.027 1.00 65.12 H new ATOM 0 HD3 PRO A 86 3.837 -31.074 -15.284 1.00 65.12 H new ATOM 1289 N MET A 87 5.705 -26.618 -17.604 1.00 43.33 N ATOM 1290 CA MET A 87 6.086 -25.889 -18.807 1.00 1.42 C ATOM 1291 C MET A 87 7.514 -25.366 -18.697 1.00 55.04 C ATOM 1292 O MET A 87 8.202 -25.192 -19.704 1.00 10.13 O ATOM 1293 CB MET A 87 5.122 -24.726 -19.050 1.00 20.04 C ATOM 1294 CG MET A 87 3.729 -25.168 -19.466 1.00 72.24 C ATOM 1295 SD MET A 87 2.858 -23.913 -20.425 1.00 22.31 S ATOM 1296 CE MET A 87 1.613 -24.911 -21.238 1.00 35.42 C ATOM 0 H MET A 87 5.298 -26.038 -16.870 1.00 43.33 H new ATOM 0 HA MET A 87 6.035 -26.577 -19.651 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.049 -24.130 -18.141 1.00 20.04 H new ATOM 0 HB3 MET A 87 5.535 -24.078 -19.823 1.00 20.04 H new ATOM 0 HG2 MET A 87 3.803 -26.083 -20.054 1.00 72.24 H new ATOM 0 HG3 MET A 87 3.147 -25.408 -18.576 1.00 72.24 H new ATOM 0 HE1 MET A 87 0.992 -24.275 -21.870 1.00 35.42 H new ATOM 0 HE2 MET A 87 2.099 -25.669 -21.852 1.00 35.42 H new ATOM 0 HE3 MET A 87 0.989 -25.397 -20.488 1.00 35.42 H new ATOM 1306 N HIS A 88 7.956 -25.116 -17.469 1.00 0.52 N ATOM 1307 CA HIS A 88 9.304 -24.613 -17.228 1.00 51.21 C ATOM 1308 C HIS A 88 10.051 -25.510 -16.245 1.00 23.12 C ATOM 1309 O HIS A 88 9.484 -26.458 -15.701 1.00 50.35 O ATOM 1310 CB HIS A 88 9.249 -23.182 -16.690 1.00 24.12 C ATOM 1311 CG HIS A 88 9.056 -22.150 -17.757 1.00 62.11 C ATOM 1312 ND1 HIS A 88 8.297 -21.013 -17.576 1.00 74.54 N ATOM 1313 CD2 HIS A 88 9.532 -22.084 -19.022 1.00 20.22 C ATOM 1314 CE1 HIS A 88 8.312 -20.295 -18.684 1.00 21.10 C ATOM 1315 NE2 HIS A 88 9.055 -20.922 -19.578 1.00 3.14 N ATOM 0 H HIS A 88 7.400 -25.253 -16.625 1.00 0.52 H new ATOM 0 HA HIS A 88 9.841 -24.616 -18.176 1.00 51.21 H new ATOM 0 HB2 HIS A 88 8.435 -23.104 -15.969 1.00 24.12 H new ATOM 0 HB3 HIS A 88 10.173 -22.969 -16.152 1.00 24.12 H new ATOM 0 HD2 HIS A 88 10.169 -22.810 -19.505 1.00 20.22 H new ATOM 0 HE1 HIS A 88 7.803 -19.354 -18.834 1.00 21.10 H new ATOM 0 HE2 HIS A 88 9.244 -20.597 -20.526 1.00 3.14 H new ATOM 1323 N GLU A 89 11.325 -25.204 -16.023 1.00 53.32 N ATOM 1324 CA GLU A 89 12.149 -25.984 -15.108 1.00 13.34 C ATOM 1325 C GLU A 89 12.288 -25.276 -13.762 1.00 2.34 C ATOM 1326 O GLU A 89 11.710 -25.702 -12.762 1.00 33.31 O ATOM 1327 CB GLU A 89 13.533 -26.228 -15.713 1.00 13.54 C ATOM 1328 CG GLU A 89 13.540 -27.275 -16.814 1.00 22.51 C ATOM 1329 CD GLU A 89 12.950 -26.759 -18.113 1.00 44.10 C ATOM 1330 OE1 GLU A 89 13.312 -25.638 -18.524 1.00 31.10 O1- ATOM 1331 OE2 GLU A 89 12.126 -27.478 -18.717 1.00 63.34 O ATOM 0 H GLU A 89 11.809 -24.422 -16.464 1.00 53.32 H new ATOM 0 HA GLU A 89 11.657 -26.943 -14.946 1.00 13.34 H new ATOM 0 HB2 GLU A 89 13.916 -25.289 -16.113 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.216 -26.539 -14.923 1.00 13.54 H new ATOM 0 HG2 GLU A 89 14.564 -27.605 -16.990 1.00 22.51 H new ATOM 0 HG3 GLU A 89 12.976 -28.148 -16.484 1.00 22.51 H new ATOM 1338 N HIS A 90 13.058 -24.193 -13.747 1.00 12.33 N ATOM 1339 CA HIS A 90 13.273 -23.424 -12.526 1.00 64.04 C ATOM 1340 C HIS A 90 13.446 -21.942 -12.841 1.00 64.34 C ATOM 1341 O HIS A 90 13.649 -21.561 -13.993 1.00 61.10 O ATOM 1342 CB HIS A 90 14.502 -23.946 -11.781 1.00 14.33 C ATOM 1343 CG HIS A 90 15.691 -24.163 -12.664 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.330 -25.380 -12.780 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.357 -23.312 -13.478 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.338 -25.266 -13.626 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.376 -24.021 -14.064 1.00 64.31 N ATOM 0 H HIS A 90 13.544 -23.828 -14.566 1.00 12.33 H new ATOM 0 HA HIS A 90 12.395 -23.542 -11.891 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.768 -23.239 -10.995 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.247 -24.886 -11.291 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.129 -22.268 -13.637 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.016 -26.057 -13.911 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.052 -23.647 -14.729 1.00 64.31 H new ATOM 1355 N ALA A 91 13.363 -21.109 -11.808 1.00 30.43 N ATOM 1356 CA ALA A 91 13.511 -19.669 -11.974 1.00 4.31 C ATOM 1357 C ALA A 91 14.796 -19.171 -11.323 1.00 13.54 C ATOM 1358 O ALA A 91 14.977 -19.292 -10.111 1.00 55.12 O ATOM 1359 CB ALA A 91 12.307 -18.943 -11.392 1.00 53.12 C ATOM 0 H ALA A 91 13.194 -21.408 -10.847 1.00 30.43 H new ATOM 0 HA ALA A 91 13.568 -19.456 -13.041 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.432 -17.868 -11.523 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.402 -19.269 -11.906 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.223 -19.171 -10.329 1.00 53.12 H new ATOM 1365 N GLU A 92 15.688 -18.611 -12.134 1.00 71.53 N ATOM 1366 CA GLU A 92 16.957 -18.096 -11.635 1.00 22.11 C ATOM 1367 C GLU A 92 17.035 -16.581 -11.804 1.00 21.04 C ATOM 1368 O GLU A 92 16.711 -16.046 -12.865 1.00 35.42 O ATOM 1369 CB GLU A 92 18.126 -18.762 -12.366 1.00 20.12 C ATOM 1370 CG GLU A 92 17.996 -20.273 -12.470 1.00 3.34 C ATOM 1371 CD GLU A 92 19.196 -20.916 -13.138 1.00 5.13 C ATOM 1372 OE1 GLU A 92 20.293 -20.886 -12.539 1.00 51.43 O ATOM 1373 OE2 GLU A 92 19.040 -21.448 -14.255 1.00 1.44 O1- ATOM 0 H GLU A 92 15.555 -18.503 -13.139 1.00 71.53 H new ATOM 0 HA GLU A 92 17.021 -18.329 -10.572 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.203 -18.342 -13.369 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.054 -18.520 -11.847 1.00 20.12 H new ATOM 0 HG2 GLU A 92 17.872 -20.693 -11.472 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.096 -20.519 -13.033 1.00 3.34 H new ATOM 1380 N VAL A 93 17.467 -15.896 -10.751 1.00 13.33 N ATOM 1381 CA VAL A 93 17.587 -14.443 -10.782 1.00 70.50 C ATOM 1382 C VAL A 93 18.913 -13.989 -10.182 1.00 3.53 C ATOM 1383 O VAL A 93 19.425 -14.601 -9.244 1.00 12.13 O ATOM 1384 CB VAL A 93 16.433 -13.767 -10.018 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.541 -12.253 -10.117 1.00 23.41 C ATOM 1386 CG2 VAL A 93 15.091 -14.250 -10.548 1.00 45.53 C ATOM 0 H VAL A 93 17.740 -16.323 -9.866 1.00 13.33 H new ATOM 0 HA VAL A 93 17.543 -14.144 -11.829 1.00 70.50 H new ATOM 0 HB VAL A 93 16.504 -14.043 -8.966 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.717 -11.793 -9.571 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.488 -11.927 -9.687 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.495 -11.953 -11.164 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.286 -13.763 -9.998 1.00 45.53 H new ATOM 0 HG22 VAL A 93 15.008 -14.004 -11.607 1.00 45.53 H new ATOM 0 HG23 VAL A 93 15.017 -15.330 -10.420 1.00 45.53 H new ATOM 1396 N VAL A 94 19.466 -12.910 -10.728 1.00 2.22 N ATOM 1397 CA VAL A 94 20.732 -12.372 -10.246 1.00 2.02 C ATOM 1398 C VAL A 94 20.537 -11.009 -9.591 1.00 12.31 C ATOM 1399 O VAL A 94 19.895 -10.123 -10.158 1.00 50.11 O ATOM 1400 CB VAL A 94 21.757 -12.239 -11.388 1.00 14.01 C ATOM 1401 CG1 VAL A 94 23.057 -11.641 -10.872 1.00 20.21 C ATOM 1402 CG2 VAL A 94 22.005 -13.590 -12.041 1.00 30.43 C ATOM 0 H VAL A 94 19.056 -12.391 -11.505 1.00 2.22 H new ATOM 0 HA VAL A 94 21.113 -13.076 -9.506 1.00 2.02 H new ATOM 0 HB VAL A 94 21.349 -11.566 -12.142 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.769 -11.555 -11.693 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.863 -10.653 -10.455 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.472 -12.286 -10.098 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.732 -13.477 -12.846 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.391 -14.288 -11.298 1.00 30.43 H new ATOM 0 HG23 VAL A 94 21.070 -13.975 -12.448 1.00 30.43 H new ATOM 1412 N PHE A 95 21.093 -10.846 -8.396 1.00 1.21 N ATOM 1413 CA PHE A 95 20.981 -9.591 -7.664 1.00 71.43 C ATOM 1414 C PHE A 95 22.359 -9.018 -7.350 1.00 71.25 C ATOM 1415 O PHE A 95 23.143 -9.620 -6.615 1.00 40.21 O ATOM 1416 CB PHE A 95 20.195 -9.801 -6.368 1.00 71.11 C ATOM 1417 CG PHE A 95 18.889 -10.515 -6.566 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.843 -11.898 -6.629 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.707 -9.802 -6.692 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.643 -12.558 -6.812 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.504 -10.457 -6.873 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.472 -11.837 -6.935 1.00 23.11 C ATOM 0 H PHE A 95 21.627 -11.569 -7.913 1.00 1.21 H new ATOM 0 HA PHE A 95 20.447 -8.879 -8.293 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.808 -10.370 -5.669 1.00 71.11 H new ATOM 0 HB3 PHE A 95 20.003 -8.832 -5.908 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.756 -12.467 -6.534 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.727 -8.723 -6.648 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.621 -13.637 -6.859 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.589 -9.891 -6.966 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.533 -12.351 -7.079 1.00 23.11 H new ATOM 1432 N THR A 96 22.651 -7.849 -7.913 1.00 53.44 N ATOM 1433 CA THR A 96 23.934 -7.195 -7.696 1.00 53.12 C ATOM 1434 C THR A 96 23.851 -6.185 -6.558 1.00 30.54 C ATOM 1435 O THR A 96 23.064 -5.239 -6.611 1.00 64.13 O ATOM 1436 CB THR A 96 24.422 -6.478 -8.969 1.00 32.55 C ATOM 1437 OG1 THR A 96 24.502 -7.409 -10.055 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.784 -5.839 -8.742 1.00 22.52 C ATOM 0 H THR A 96 22.015 -7.336 -8.523 1.00 53.44 H new ATOM 0 HA THR A 96 24.646 -7.977 -7.433 1.00 53.12 H new ATOM 0 HB THR A 96 23.706 -5.693 -9.215 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.811 -6.945 -10.861 1.00 35.50 H new ATOM 0 HG21 THR A 96 26.108 -5.339 -9.655 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.714 -5.111 -7.934 1.00 22.52 H new ATOM 0 HG23 THR A 96 26.507 -6.609 -8.474 1.00 22.52 H new ATOM 1446 N ALA A 97 24.667 -6.389 -5.530 1.00 62.01 N ATOM 1447 CA ALA A 97 24.686 -5.493 -4.380 1.00 43.35 C ATOM 1448 C ALA A 97 26.071 -4.888 -4.178 1.00 12.42 C ATOM 1449 O ALA A 97 27.054 -5.609 -4.011 1.00 52.21 O ATOM 1450 CB ALA A 97 24.244 -6.234 -3.126 1.00 10.43 C ATOM 0 H ALA A 97 25.324 -7.167 -5.470 1.00 62.01 H new ATOM 0 HA ALA A 97 23.987 -4.679 -4.574 1.00 43.35 H new ATOM 0 HB1 ALA A 97 24.263 -5.553 -2.275 1.00 10.43 H new ATOM 0 HB2 ALA A 97 23.231 -6.613 -3.265 1.00 10.43 H new ATOM 0 HB3 ALA A 97 24.921 -7.068 -2.938 1.00 10.43 H new ATOM 1456 N ASN A 98 26.141 -3.562 -4.196 1.00 22.42 N ATOM 1457 CA ASN A 98 27.407 -2.860 -4.016 1.00 70.24 C ATOM 1458 C ASN A 98 27.407 -2.063 -2.716 1.00 0.21 C ATOM 1459 O ASN A 98 28.051 -2.449 -1.739 1.00 44.32 O ATOM 1460 CB ASN A 98 27.669 -1.926 -5.200 1.00 53.32 C ATOM 1461 CG ASN A 98 28.147 -2.673 -6.430 1.00 65.42 C ATOM 1462 OD1 ASN A 98 29.266 -3.187 -6.463 1.00 61.01 O ATOM 1463 ND2 ASN A 98 27.300 -2.737 -7.450 1.00 50.32 N ATOM 0 H ASN A 98 25.336 -2.951 -4.333 1.00 22.42 H new ATOM 0 HA ASN A 98 28.202 -3.604 -3.965 1.00 70.24 H new ATOM 0 HB2 ASN A 98 26.755 -1.383 -5.440 1.00 53.32 H new ATOM 0 HB3 ASN A 98 28.415 -1.184 -4.916 1.00 53.32 H new ATOM 0 HD21 ASN A 98 27.567 -3.226 -8.304 1.00 50.32 H new ATOM 0 HD22 ASN A 98 26.383 -2.297 -7.379 1.00 50.32 H new ATOM 1470 N ASP A 99 26.682 -0.951 -2.710 1.00 15.12 N ATOM 1471 CA ASP A 99 26.597 -0.099 -1.529 1.00 4.24 C ATOM 1472 C ASP A 99 25.599 1.034 -1.746 1.00 73.21 C ATOM 1473 O ASP A 99 24.859 1.042 -2.730 1.00 53.11 O ATOM 1474 CB ASP A 99 27.973 0.475 -1.188 1.00 62.12 C ATOM 1475 CG ASP A 99 28.336 0.281 0.271 1.00 13.14 C ATOM 1476 OD1 ASP A 99 27.570 0.749 1.139 1.00 52.50 O1- ATOM 1477 OD2 ASP A 99 29.386 -0.338 0.544 1.00 55.13 O ATOM 0 H ASP A 99 26.144 -0.618 -3.510 1.00 15.12 H new ATOM 0 HA ASP A 99 26.250 -0.710 -0.696 1.00 4.24 H new ATOM 0 HB2 ASP A 99 28.728 -0.002 -1.814 1.00 62.12 H new ATOM 0 HB3 ASP A 99 27.989 1.539 -1.425 1.00 62.12 H new ATOM 1482 N SER A 100 25.583 1.988 -0.822 1.00 64.11 N ATOM 1483 CA SER A 100 24.673 3.123 -0.909 1.00 51.44 C ATOM 1484 C SER A 100 23.220 2.661 -0.838 1.00 2.13 C ATOM 1485 O SER A 100 22.541 2.553 -1.857 1.00 24.13 O ATOM 1486 CB SER A 100 24.911 3.896 -2.208 1.00 72.33 C ATOM 1487 OG SER A 100 24.483 5.242 -2.087 1.00 61.25 O ATOM 0 H SER A 100 26.191 1.998 -0.003 1.00 64.11 H new ATOM 0 HA SER A 100 24.869 3.780 -0.062 1.00 51.44 H new ATOM 0 HB2 SER A 100 25.971 3.870 -2.461 1.00 72.33 H new ATOM 0 HB3 SER A 100 24.376 3.413 -3.025 1.00 72.33 H new ATOM 0 HG SER A 100 24.647 5.715 -2.930 1.00 61.25 H new ATOM 1493 N GLY A 101 22.751 2.391 0.376 1.00 42.21 N ATOM 1494 CA GLY A 101 21.383 1.944 0.561 1.00 53.22 C ATOM 1495 C GLY A 101 21.240 0.970 1.713 1.00 10.13 C ATOM 1496 O GLY A 101 22.224 0.439 2.230 1.00 41.01 O ATOM 0 H GLY A 101 23.294 2.474 1.235 1.00 42.21 H new ATOM 0 HA2 GLY A 101 20.743 2.808 0.739 1.00 53.22 H new ATOM 0 HA3 GLY A 101 21.032 1.471 -0.356 1.00 53.22 H new ATOM 1500 N PRO A 102 19.991 0.725 2.136 1.00 72.31 N ATOM 1501 CA PRO A 102 19.695 -0.191 3.242 1.00 62.41 C ATOM 1502 C PRO A 102 19.961 -1.646 2.875 1.00 55.41 C ATOM 1503 O PRO A 102 20.089 -2.503 3.750 1.00 30.03 O ATOM 1504 CB PRO A 102 18.202 0.032 3.496 1.00 3.05 C ATOM 1505 CG PRO A 102 17.665 0.524 2.196 1.00 21.03 C ATOM 1506 CD PRO A 102 18.773 1.324 1.566 1.00 22.35 C ATOM 0 HA PRO A 102 20.323 0.002 4.112 1.00 62.41 H new ATOM 0 HB2 PRO A 102 17.711 -0.891 3.803 1.00 3.05 H new ATOM 0 HB3 PRO A 102 18.040 0.759 4.292 1.00 3.05 H new ATOM 0 HG2 PRO A 102 17.371 -0.308 1.555 1.00 21.03 H new ATOM 0 HG3 PRO A 102 16.778 1.139 2.348 1.00 21.03 H new ATOM 0 HD2 PRO A 102 18.757 1.246 0.479 1.00 22.35 H new ATOM 0 HD3 PRO A 102 18.693 2.383 1.811 1.00 22.35 H new ATOM 1514 N ARG A 103 20.043 -1.919 1.577 1.00 52.42 N ATOM 1515 CA ARG A 103 20.294 -3.273 1.095 1.00 64.24 C ATOM 1516 C ARG A 103 19.530 -4.297 1.929 1.00 1.20 C ATOM 1517 O ARG A 103 20.058 -5.358 2.264 1.00 43.01 O ATOM 1518 CB ARG A 103 21.791 -3.582 1.134 1.00 21.14 C ATOM 1519 CG ARG A 103 22.378 -3.578 2.537 1.00 71.15 C ATOM 1520 CD ARG A 103 23.709 -4.311 2.587 1.00 40.02 C ATOM 1521 NE ARG A 103 24.494 -3.941 3.762 1.00 23.44 N ATOM 1522 CZ ARG A 103 25.589 -4.587 4.148 1.00 72.30 C ATOM 1523 NH1 ARG A 103 26.025 -5.630 3.456 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 26.248 -4.189 5.228 1.00 23.55 N ATOM 0 H ARG A 103 19.939 -1.221 0.840 1.00 52.42 H new ATOM 0 HA ARG A 103 19.944 -3.336 0.065 1.00 64.24 H new ATOM 0 HB2 ARG A 103 21.964 -4.558 0.680 1.00 21.14 H new ATOM 0 HB3 ARG A 103 22.321 -2.849 0.526 1.00 21.14 H new ATOM 0 HG2 ARG A 103 22.515 -2.550 2.872 1.00 71.15 H new ATOM 0 HG3 ARG A 103 21.677 -4.047 3.227 1.00 71.15 H new ATOM 0 HD2 ARG A 103 23.531 -5.386 2.594 1.00 40.02 H new ATOM 0 HD3 ARG A 103 24.279 -4.089 1.685 1.00 40.02 H new ATOM 0 HE ARG A 103 24.185 -3.143 4.317 1.00 23.44 H new ATOM 0 HH11 ARG A 103 25.520 -5.938 2.625 1.00 12.31 H new ATOM 0 HH12 ARG A 103 26.866 -6.124 3.754 1.00 12.31 H new ATOM 0 HH21 ARG A 103 25.914 -3.387 5.762 1.00 23.55 H new ATOM 0 HH22 ARG A 103 27.089 -4.685 5.524 1.00 23.55 H new ATOM 1538 N ARG A 104 18.285 -3.971 2.262 1.00 42.23 N ATOM 1539 CA ARG A 104 17.449 -4.862 3.059 1.00 3.34 C ATOM 1540 C ARG A 104 15.997 -4.806 2.592 1.00 11.24 C ATOM 1541 O ARG A 104 15.218 -3.973 3.054 1.00 3.33 O ATOM 1542 CB ARG A 104 17.535 -4.487 4.540 1.00 1.21 C ATOM 1543 CG ARG A 104 18.798 -4.984 5.222 1.00 52.32 C ATOM 1544 CD ARG A 104 18.534 -5.377 6.667 1.00 23.35 C ATOM 1545 NE ARG A 104 19.444 -4.705 7.592 1.00 23.43 N ATOM 1546 CZ ARG A 104 19.341 -3.424 7.924 1.00 61.22 C ATOM 1547 NH1 ARG A 104 18.371 -2.678 7.411 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 20.207 -2.885 8.772 1.00 61.40 N ATOM 0 H ARG A 104 17.833 -3.097 1.993 1.00 42.23 H new ATOM 0 HA ARG A 104 17.816 -5.880 2.927 1.00 3.34 H new ATOM 0 HB2 ARG A 104 17.484 -3.402 4.635 1.00 1.21 H new ATOM 0 HB3 ARG A 104 16.668 -4.894 5.060 1.00 1.21 H new ATOM 0 HG2 ARG A 104 19.193 -5.841 4.677 1.00 52.32 H new ATOM 0 HG3 ARG A 104 19.561 -4.206 5.189 1.00 52.32 H new ATOM 0 HD2 ARG A 104 17.505 -5.130 6.928 1.00 23.35 H new ATOM 0 HD3 ARG A 104 18.640 -6.457 6.774 1.00 23.35 H new ATOM 0 HE ARG A 104 20.200 -5.251 8.005 1.00 23.43 H new ATOM 0 HH11 ARG A 104 17.702 -3.089 6.760 1.00 21.23 H new ATOM 0 HH12 ARG A 104 18.294 -1.694 7.668 1.00 21.23 H new ATOM 0 HH21 ARG A 104 20.953 -3.455 9.170 1.00 61.40 H new ATOM 0 HH22 ARG A 104 20.127 -1.900 9.026 1.00 61.40 H new ATOM 1562 N TYR A 105 15.643 -5.699 1.674 1.00 64.52 N ATOM 1563 CA TYR A 105 14.286 -5.749 1.143 1.00 43.23 C ATOM 1564 C TYR A 105 13.901 -7.177 0.767 1.00 12.34 C ATOM 1565 O TYR A 105 14.763 -8.037 0.581 1.00 73.32 O ATOM 1566 CB TYR A 105 14.160 -4.837 -0.079 1.00 4.01 C ATOM 1567 CG TYR A 105 13.946 -3.382 0.271 1.00 12.10 C ATOM 1568 CD1 TYR A 105 12.702 -2.923 0.686 1.00 71.31 C ATOM 1569 CD2 TYR A 105 14.988 -2.468 0.187 1.00 32.04 C ATOM 1570 CE1 TYR A 105 12.504 -1.594 1.007 1.00 24.24 C ATOM 1571 CE2 TYR A 105 14.798 -1.137 0.507 1.00 72.42 C ATOM 1572 CZ TYR A 105 13.554 -0.704 0.916 1.00 22.41 C ATOM 1573 OH TYR A 105 13.359 0.620 1.235 1.00 41.31 O ATOM 0 H TYR A 105 16.276 -6.397 1.283 1.00 64.52 H new ATOM 0 HA TYR A 105 13.606 -5.400 1.920 1.00 43.23 H new ATOM 0 HB2 TYR A 105 15.062 -4.928 -0.684 1.00 4.01 H new ATOM 0 HB3 TYR A 105 13.328 -5.180 -0.694 1.00 4.01 H new ATOM 0 HD1 TYR A 105 11.877 -3.616 0.759 1.00 71.31 H new ATOM 0 HD2 TYR A 105 15.963 -2.803 -0.134 1.00 32.04 H new ATOM 0 HE1 TYR A 105 11.531 -1.253 1.328 1.00 24.24 H new ATOM 0 HE2 TYR A 105 15.620 -0.439 0.437 1.00 72.42 H new ATOM 0 HH TYR A 105 14.199 1.112 1.119 1.00 41.31 H new ATOM 1583 N THR A 106 12.600 -7.423 0.658 1.00 61.33 N ATOM 1584 CA THR A 106 12.098 -8.746 0.306 1.00 12.11 C ATOM 1585 C THR A 106 11.821 -8.848 -1.190 1.00 32.31 C ATOM 1586 O THR A 106 11.368 -7.888 -1.814 1.00 11.53 O ATOM 1587 CB THR A 106 10.810 -9.082 1.080 1.00 42.34 C ATOM 1588 OG1 THR A 106 11.079 -9.124 2.485 1.00 34.34 O ATOM 1589 CG2 THR A 106 10.242 -10.420 0.628 1.00 20.22 C ATOM 0 H THR A 106 11.874 -6.723 0.808 1.00 61.33 H new ATOM 0 HA THR A 106 12.873 -9.462 0.579 1.00 12.11 H new ATOM 0 HB THR A 106 10.075 -8.304 0.875 1.00 42.34 H new ATOM 0 HG1 THR A 106 10.722 -9.955 2.862 1.00 34.34 H new ATOM 0 HG21 THR A 106 9.332 -10.637 1.188 1.00 20.22 H new ATOM 0 HG22 THR A 106 10.011 -10.376 -0.436 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.975 -11.206 0.808 1.00 20.22 H new ATOM 1597 N ILE A 107 12.095 -10.017 -1.759 1.00 71.42 N ATOM 1598 CA ILE A 107 11.873 -10.245 -3.181 1.00 74.04 C ATOM 1599 C ILE A 107 10.629 -11.096 -3.414 1.00 33.14 C ATOM 1600 O ILE A 107 10.626 -12.296 -3.138 1.00 43.14 O ATOM 1601 CB ILE A 107 13.084 -10.934 -3.837 1.00 63.22 C ATOM 1602 CG1 ILE A 107 14.371 -10.178 -3.503 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.891 -11.022 -5.344 1.00 32.41 C ATOM 1604 CD1 ILE A 107 14.343 -8.723 -3.918 1.00 2.32 C ATOM 0 H ILE A 107 12.471 -10.821 -1.257 1.00 71.42 H new ATOM 0 HA ILE A 107 11.731 -9.266 -3.639 1.00 74.04 H new ATOM 0 HB ILE A 107 13.166 -11.946 -3.441 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.550 -10.238 -2.429 1.00 62.44 H new ATOM 0 HG13 ILE A 107 15.210 -10.671 -3.994 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.755 -11.511 -5.794 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.993 -11.599 -5.563 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.787 -10.019 -5.757 1.00 32.41 H new ATOM 0 HD11 ILE A 107 15.288 -8.250 -3.650 1.00 2.32 H new ATOM 0 HD12 ILE A 107 14.196 -8.655 -4.996 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.525 -8.215 -3.407 1.00 2.32 H new ATOM 1616 N ALA A 108 9.576 -10.468 -3.925 1.00 44.40 N ATOM 1617 CA ALA A 108 8.327 -11.170 -4.200 1.00 61.41 C ATOM 1618 C ALA A 108 8.286 -11.674 -5.637 1.00 62.14 C ATOM 1619 O ALA A 108 8.406 -10.895 -6.582 1.00 70.45 O ATOM 1620 CB ALA A 108 7.140 -10.260 -3.922 1.00 74.04 C ATOM 0 H ALA A 108 9.562 -9.475 -4.157 1.00 44.40 H new ATOM 0 HA ALA A 108 8.270 -12.035 -3.539 1.00 61.41 H new ATOM 0 HB1 ALA A 108 6.214 -10.796 -4.131 1.00 74.04 H new ATOM 0 HB2 ALA A 108 7.154 -9.953 -2.876 1.00 74.04 H new ATOM 0 HB3 ALA A 108 7.201 -9.378 -4.559 1.00 74.04 H new ATOM 1626 N ALA A 109 8.115 -12.983 -5.796 1.00 63.14 N ATOM 1627 CA ALA A 109 8.055 -13.591 -7.120 1.00 74.21 C ATOM 1628 C ALA A 109 6.799 -14.440 -7.278 1.00 35.54 C ATOM 1629 O ALA A 109 6.433 -15.197 -6.380 1.00 62.10 O ATOM 1630 CB ALA A 109 9.298 -14.432 -7.370 1.00 25.13 C ATOM 0 H ALA A 109 8.016 -13.642 -5.024 1.00 63.14 H new ATOM 0 HA ALA A 109 8.016 -12.791 -7.859 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.241 -14.880 -8.362 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.184 -13.800 -7.308 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.362 -15.220 -6.619 1.00 25.13 H new ATOM 1636 N MET A 110 6.143 -14.307 -8.426 1.00 70.32 N ATOM 1637 CA MET A 110 4.926 -15.064 -8.702 1.00 45.12 C ATOM 1638 C MET A 110 5.184 -16.147 -9.745 1.00 15.33 C ATOM 1639 O MET A 110 5.860 -15.910 -10.746 1.00 41.41 O ATOM 1640 CB MET A 110 3.816 -14.128 -9.185 1.00 74.03 C ATOM 1641 CG MET A 110 3.114 -13.385 -8.060 1.00 13.10 C ATOM 1642 SD MET A 110 1.353 -13.155 -8.372 1.00 31.04 S ATOM 1643 CE MET A 110 0.645 -14.074 -7.007 1.00 0.14 C ATOM 0 H MET A 110 6.432 -13.683 -9.179 1.00 70.32 H new ATOM 0 HA MET A 110 4.609 -15.544 -7.776 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.240 -13.402 -9.879 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.080 -14.708 -9.741 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.245 -13.936 -7.129 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.585 -12.412 -7.923 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.399 -14.300 -7.223 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.197 -15.004 -6.869 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.706 -13.478 -6.097 1.00 0.14 H new ATOM 1653 N LEU A 111 4.641 -17.335 -9.504 1.00 31.10 N ATOM 1654 CA LEU A 111 4.813 -18.455 -10.422 1.00 3.04 C ATOM 1655 C LEU A 111 3.631 -18.560 -11.380 1.00 63.32 C ATOM 1656 O LEU A 111 2.496 -18.788 -10.959 1.00 10.01 O ATOM 1657 CB LEU A 111 4.969 -19.761 -9.641 1.00 34.42 C ATOM 1658 CG LEU A 111 6.404 -20.203 -9.353 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.251 -19.017 -8.918 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.424 -21.293 -8.291 1.00 11.55 C ATOM 0 H LEU A 111 4.078 -17.547 -8.681 1.00 31.10 H new ATOM 0 HA LEU A 111 5.716 -18.278 -11.006 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.444 -19.658 -8.691 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.470 -20.555 -10.196 1.00 34.42 H new ATOM 0 HG LEU A 111 6.829 -20.610 -10.271 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.269 -19.351 -8.717 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.264 -18.269 -9.711 1.00 40.44 H new ATOM 0 HD13 LEU A 111 6.828 -18.580 -8.014 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.454 -21.595 -8.099 1.00 11.55 H new ATOM 0 HD22 LEU A 111 5.980 -20.913 -7.371 1.00 11.55 H new ATOM 0 HD23 LEU A 111 5.853 -22.153 -8.641 1.00 11.55 H new ATOM 1672 N SER A 112 3.903 -18.394 -12.670 1.00 73.51 N ATOM 1673 CA SER A 112 2.862 -18.469 -13.688 1.00 51.32 C ATOM 1674 C SER A 112 3.399 -19.095 -14.970 1.00 24.21 C ATOM 1675 O SER A 112 3.975 -18.423 -15.826 1.00 14.52 O ATOM 1676 CB SER A 112 2.306 -17.074 -13.982 1.00 2.41 C ATOM 1677 OG SER A 112 3.190 -16.065 -13.523 1.00 5.42 O ATOM 0 H SER A 112 4.837 -18.206 -13.035 1.00 73.51 H new ATOM 0 HA SER A 112 2.059 -19.100 -13.306 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.146 -16.961 -15.054 1.00 2.41 H new ATOM 0 HB3 SER A 112 1.335 -16.957 -13.501 1.00 2.41 H new ATOM 0 HG SER A 112 3.244 -15.349 -14.190 1.00 5.42 H new ATOM 1683 N PRO A 113 3.208 -20.416 -15.108 1.00 54.43 N ATOM 1684 CA PRO A 113 3.666 -21.163 -16.283 1.00 23.13 C ATOM 1685 C PRO A 113 2.868 -20.819 -17.536 1.00 42.52 C ATOM 1686 O PRO A 113 3.425 -20.723 -18.631 1.00 32.13 O ATOM 1687 CB PRO A 113 3.433 -22.624 -15.887 1.00 11.42 C ATOM 1688 CG PRO A 113 2.342 -22.572 -14.873 1.00 14.31 C ATOM 1689 CD PRO A 113 2.530 -21.281 -14.128 1.00 11.21 C ATOM 0 HA PRO A 113 4.702 -20.934 -16.533 1.00 23.13 H new ATOM 0 HB2 PRO A 113 3.145 -23.227 -16.748 1.00 11.42 H new ATOM 0 HB3 PRO A 113 4.337 -23.071 -15.473 1.00 11.42 H new ATOM 0 HG2 PRO A 113 1.363 -22.608 -15.351 1.00 14.31 H new ATOM 0 HG3 PRO A 113 2.397 -23.425 -14.196 1.00 14.31 H new ATOM 0 HD2 PRO A 113 1.577 -20.858 -13.811 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.132 -21.419 -13.230 1.00 11.21 H new ATOM 1697 N TYR A 114 1.564 -20.632 -17.369 1.00 23.21 N ATOM 1698 CA TYR A 114 0.690 -20.300 -18.488 1.00 4.41 C ATOM 1699 C TYR A 114 0.716 -18.801 -18.773 1.00 5.12 C ATOM 1700 O TYR A 114 0.846 -18.377 -19.920 1.00 62.34 O ATOM 1701 CB TYR A 114 -0.742 -20.750 -18.196 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.830 -22.134 -17.591 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.691 -23.268 -18.381 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -1.051 -22.305 -16.231 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.771 -24.533 -17.833 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -1.131 -23.568 -15.674 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.992 -24.678 -16.480 1.00 23.21 C ATOM 1708 OH TYR A 114 -1.071 -25.937 -15.930 1.00 44.10 O ATOM 0 H TYR A 114 1.088 -20.705 -16.470 1.00 23.21 H new ATOM 0 HA TYR A 114 1.056 -20.826 -19.370 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -1.207 -20.035 -17.517 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -1.316 -20.730 -19.122 1.00 10.22 H new ATOM 0 HD1 TYR A 114 -0.517 -23.159 -19.441 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -1.162 -21.437 -15.598 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -0.661 -25.405 -18.461 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -1.301 -23.684 -14.614 1.00 70.43 H new ATOM 0 HH TYR A 114 -1.229 -25.863 -14.966 1.00 44.10 H new ATOM 1718 N SER A 115 0.592 -18.003 -17.717 1.00 54.30 N ATOM 1719 CA SER A 115 0.597 -16.551 -17.851 1.00 50.32 C ATOM 1720 C SER A 115 2.020 -16.004 -17.786 1.00 24.11 C ATOM 1721 O SER A 115 2.980 -16.759 -17.630 1.00 43.12 O ATOM 1722 CB SER A 115 -0.256 -15.912 -16.754 1.00 73.32 C ATOM 1723 OG SER A 115 -1.632 -15.944 -17.094 1.00 23.24 O ATOM 0 H SER A 115 0.487 -18.338 -16.759 1.00 54.30 H new ATOM 0 HA SER A 115 0.173 -16.300 -18.823 1.00 50.32 H new ATOM 0 HB2 SER A 115 -0.098 -16.439 -15.813 1.00 73.32 H new ATOM 0 HB3 SER A 115 0.059 -14.880 -16.598 1.00 73.32 H new ATOM 0 HG SER A 115 -2.156 -15.531 -16.376 1.00 23.24 H new ATOM 1729 N TYR A 116 2.148 -14.688 -17.908 1.00 51.11 N ATOM 1730 CA TYR A 116 3.453 -14.039 -17.867 1.00 44.22 C ATOM 1731 C TYR A 116 4.040 -14.086 -16.459 1.00 31.31 C ATOM 1732 O TYR A 116 3.330 -13.891 -15.471 1.00 23.43 O ATOM 1733 CB TYR A 116 3.340 -12.588 -18.336 1.00 65.40 C ATOM 1734 CG TYR A 116 2.286 -11.793 -17.598 1.00 71.35 C ATOM 1735 CD1 TYR A 116 2.553 -11.236 -16.354 1.00 61.42 C ATOM 1736 CD2 TYR A 116 1.023 -11.601 -18.145 1.00 11.14 C ATOM 1737 CE1 TYR A 116 1.593 -10.509 -15.676 1.00 43.15 C ATOM 1738 CE2 TYR A 116 0.057 -10.875 -17.475 1.00 2.33 C ATOM 1739 CZ TYR A 116 0.346 -10.332 -16.240 1.00 73.22 C ATOM 1740 OH TYR A 116 -0.613 -9.609 -15.569 1.00 0.32 O ATOM 0 H TYR A 116 1.363 -14.049 -18.036 1.00 51.11 H new ATOM 0 HA TYR A 116 4.120 -14.579 -18.538 1.00 44.22 H new ATOM 0 HB2 TYR A 116 4.306 -12.098 -18.211 1.00 65.40 H new ATOM 0 HB3 TYR A 116 3.112 -12.576 -19.402 1.00 65.40 H new ATOM 0 HD1 TYR A 116 3.527 -11.373 -15.909 1.00 61.42 H new ATOM 0 HD2 TYR A 116 0.793 -12.027 -19.110 1.00 11.14 H new ATOM 0 HE1 TYR A 116 1.817 -10.082 -14.710 1.00 43.15 H new ATOM 0 HE2 TYR A 116 -0.919 -10.733 -17.916 1.00 2.33 H new ATOM 0 HH TYR A 116 -1.433 -9.578 -16.104 1.00 0.32 H new ATOM 1750 N SER A 117 5.341 -14.345 -16.375 1.00 62.40 N ATOM 1751 CA SER A 117 6.025 -14.421 -15.090 1.00 41.11 C ATOM 1752 C SER A 117 6.125 -13.041 -14.445 1.00 1.43 C ATOM 1753 O SER A 117 6.100 -12.018 -15.132 1.00 74.14 O ATOM 1754 CB SER A 117 7.422 -15.016 -15.265 1.00 43.31 C ATOM 1755 OG SER A 117 8.112 -14.393 -16.335 1.00 60.44 O ATOM 0 H SER A 117 5.943 -14.506 -17.183 1.00 62.40 H new ATOM 0 HA SER A 117 5.442 -15.068 -14.435 1.00 41.11 H new ATOM 0 HB2 SER A 117 7.990 -14.895 -14.343 1.00 43.31 H new ATOM 0 HB3 SER A 117 7.344 -16.087 -15.453 1.00 43.31 H new ATOM 0 HG SER A 117 9.003 -14.790 -16.425 1.00 60.44 H new ATOM 1761 N THR A 118 6.239 -13.020 -13.121 1.00 44.23 N ATOM 1762 CA THR A 118 6.341 -11.767 -12.383 1.00 62.12 C ATOM 1763 C THR A 118 7.427 -11.846 -11.316 1.00 51.22 C ATOM 1764 O THR A 118 7.474 -12.795 -10.534 1.00 52.03 O ATOM 1765 CB THR A 118 5.005 -11.399 -11.713 1.00 41.11 C ATOM 1766 OG1 THR A 118 3.924 -12.064 -12.376 1.00 53.34 O ATOM 1767 CG2 THR A 118 4.778 -9.895 -11.748 1.00 30.23 C ATOM 0 H THR A 118 6.263 -13.856 -12.538 1.00 44.23 H new ATOM 0 HA THR A 118 6.600 -10.994 -13.106 1.00 62.12 H new ATOM 0 HB THR A 118 5.046 -11.721 -10.672 1.00 41.11 H new ATOM 0 HG1 THR A 118 3.078 -11.826 -11.942 1.00 53.34 H new ATOM 0 HG21 THR A 118 3.828 -9.659 -11.269 1.00 30.23 H new ATOM 0 HG22 THR A 118 5.587 -9.393 -11.217 1.00 30.23 H new ATOM 0 HG23 THR A 118 4.757 -9.554 -12.783 1.00 30.23 H new ATOM 1775 N MET A 119 8.297 -10.843 -11.289 1.00 51.10 N ATOM 1776 CA MET A 119 9.382 -10.798 -10.315 1.00 43.42 C ATOM 1777 C MET A 119 9.599 -9.376 -9.807 1.00 2.14 C ATOM 1778 O MET A 119 9.964 -8.483 -10.570 1.00 61.44 O ATOM 1779 CB MET A 119 10.675 -11.333 -10.934 1.00 20.41 C ATOM 1780 CG MET A 119 11.766 -11.616 -9.914 1.00 61.24 C ATOM 1781 SD MET A 119 11.847 -13.356 -9.448 1.00 43.35 S ATOM 1782 CE MET A 119 13.096 -13.304 -8.165 1.00 1.53 C ATOM 0 H MET A 119 8.273 -10.050 -11.930 1.00 51.10 H new ATOM 0 HA MET A 119 9.104 -11.428 -9.470 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.454 -12.250 -11.481 1.00 20.41 H new ATOM 0 HB3 MET A 119 11.047 -10.610 -11.660 1.00 20.41 H new ATOM 0 HG2 MET A 119 12.729 -11.308 -10.322 1.00 61.24 H new ATOM 0 HG3 MET A 119 11.590 -11.013 -9.023 1.00 61.24 H new ATOM 0 HE1 MET A 119 13.660 -14.236 -8.169 1.00 1.53 H new ATOM 0 HE2 MET A 119 13.773 -12.470 -8.350 1.00 1.53 H new ATOM 0 HE3 MET A 119 12.616 -13.174 -7.195 1.00 1.53 H new ATOM 1792 N ALA A 120 9.371 -9.173 -8.513 1.00 51.45 N ATOM 1793 CA ALA A 120 9.544 -7.861 -7.904 1.00 71.34 C ATOM 1794 C ALA A 120 10.896 -7.752 -7.208 1.00 72.32 C ATOM 1795 O ALA A 120 11.204 -8.527 -6.302 1.00 32.22 O ATOM 1796 CB ALA A 120 8.418 -7.585 -6.919 1.00 12.35 C ATOM 0 H ALA A 120 9.066 -9.901 -7.867 1.00 51.45 H new ATOM 0 HA ALA A 120 9.512 -7.113 -8.696 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.559 -6.601 -6.471 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.462 -7.611 -7.442 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.425 -8.344 -6.137 1.00 12.35 H new ATOM 1802 N VAL A 121 11.702 -6.785 -7.637 1.00 53.02 N ATOM 1803 CA VAL A 121 13.022 -6.575 -7.056 1.00 21.22 C ATOM 1804 C VAL A 121 13.186 -5.138 -6.571 1.00 45.24 C ATOM 1805 O VAL A 121 13.087 -4.192 -7.353 1.00 55.42 O ATOM 1806 CB VAL A 121 14.138 -6.895 -8.066 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.506 -6.657 -7.445 1.00 73.31 C ATOM 1808 CG2 VAL A 121 14.012 -8.326 -8.564 1.00 33.42 C ATOM 0 H VAL A 121 11.463 -6.135 -8.386 1.00 53.02 H new ATOM 0 HA VAL A 121 13.106 -7.254 -6.208 1.00 21.22 H new ATOM 0 HB VAL A 121 14.032 -6.226 -8.920 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.282 -6.889 -8.174 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.592 -5.613 -7.143 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.626 -7.298 -6.572 1.00 73.31 H new ATOM 0 HG21 VAL A 121 14.809 -8.535 -9.277 1.00 33.42 H new ATOM 0 HG22 VAL A 121 14.090 -9.013 -7.721 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.046 -8.458 -9.051 1.00 33.42 H new ATOM 1818 N VAL A 122 13.439 -4.981 -5.276 1.00 24.04 N ATOM 1819 CA VAL A 122 13.619 -3.661 -4.686 1.00 52.24 C ATOM 1820 C VAL A 122 15.077 -3.219 -4.762 1.00 2.02 C ATOM 1821 O VAL A 122 15.945 -3.788 -4.102 1.00 64.54 O ATOM 1822 CB VAL A 122 13.163 -3.634 -3.216 1.00 41.24 C ATOM 1823 CG1 VAL A 122 13.179 -2.213 -2.676 1.00 71.54 C ATOM 1824 CG2 VAL A 122 11.778 -4.251 -3.077 1.00 53.13 C ATOM 0 H VAL A 122 13.524 -5.753 -4.615 1.00 24.04 H new ATOM 0 HA VAL A 122 13.002 -2.972 -5.262 1.00 52.24 H new ATOM 0 HB VAL A 122 13.862 -4.227 -2.627 1.00 41.24 H new ATOM 0 HG11 VAL A 122 12.853 -2.215 -1.636 1.00 71.54 H new ATOM 0 HG12 VAL A 122 14.190 -1.811 -2.739 1.00 71.54 H new ATOM 0 HG13 VAL A 122 12.505 -1.592 -3.266 1.00 71.54 H new ATOM 0 HG21 VAL A 122 11.471 -4.224 -2.032 1.00 53.13 H new ATOM 0 HG22 VAL A 122 11.066 -3.686 -3.679 1.00 53.13 H new ATOM 0 HG23 VAL A 122 11.804 -5.285 -3.421 1.00 53.13 H new ATOM 1834 N THR A 123 15.338 -2.197 -5.572 1.00 65.41 N ATOM 1835 CA THR A 123 16.691 -1.679 -5.736 1.00 45.23 C ATOM 1836 C THR A 123 16.965 -0.544 -4.757 1.00 73.22 C ATOM 1837 O THR A 123 16.048 0.155 -4.328 1.00 50.41 O ATOM 1838 CB THR A 123 16.928 -1.172 -7.171 1.00 11.34 C ATOM 1839 OG1 THR A 123 16.161 0.014 -7.405 1.00 23.43 O ATOM 1840 CG2 THR A 123 16.549 -2.237 -8.190 1.00 1.51 C ATOM 0 H THR A 123 14.631 -1.712 -6.124 1.00 65.41 H new ATOM 0 HA THR A 123 17.373 -2.504 -5.533 1.00 45.23 H new ATOM 0 HB THR A 123 17.988 -0.945 -7.282 1.00 11.34 H new ATOM 0 HG1 THR A 123 16.319 0.331 -8.319 1.00 23.43 H new ATOM 0 HG21 THR A 123 16.725 -1.857 -9.196 1.00 1.51 H new ATOM 0 HG22 THR A 123 17.156 -3.128 -8.028 1.00 1.51 H new ATOM 0 HG23 THR A 123 15.495 -2.490 -8.077 1.00 1.51 H new ATOM 1848 N ASN A 124 18.236 -0.365 -4.407 1.00 2.14 N ATOM 1849 CA ASN A 124 18.632 0.687 -3.478 1.00 14.35 C ATOM 1850 C ASN A 124 18.215 2.059 -3.999 1.00 21.24 C ATOM 1851 O ASN A 124 17.949 2.245 -5.186 1.00 34.35 O ATOM 1852 CB ASN A 124 20.144 0.653 -3.251 1.00 43.11 C ATOM 1853 CG ASN A 124 20.537 -0.272 -2.115 1.00 33.41 C ATOM 1854 OD1 ASN A 124 19.682 -0.820 -1.421 1.00 65.11 O ATOM 1855 ND2 ASN A 124 21.840 -0.449 -1.920 1.00 53.22 N ATOM 0 H ASN A 124 19.008 -0.935 -4.753 1.00 2.14 H new ATOM 0 HA ASN A 124 18.125 0.509 -2.530 1.00 14.35 H new ATOM 0 HB2 ASN A 124 20.639 0.330 -4.167 1.00 43.11 H new ATOM 0 HB3 ASN A 124 20.499 1.661 -3.035 1.00 43.11 H new ATOM 0 HD21 ASN A 124 22.165 -1.060 -1.170 1.00 53.22 H new ATOM 0 HD22 ASN A 124 22.515 0.026 -2.520 1.00 53.22 H new ATOM 1862 N PRO A 125 18.158 3.045 -3.091 1.00 1.24 N ATOM 1863 CA PRO A 125 17.777 4.417 -3.436 1.00 4.12 C ATOM 1864 C PRO A 125 18.837 5.120 -4.277 1.00 22.32 C ATOM 1865 O PRO A 125 19.959 5.342 -3.822 1.00 40.34 O ATOM 1866 CB PRO A 125 17.636 5.099 -2.073 1.00 23.43 C ATOM 1867 CG PRO A 125 18.518 4.314 -1.164 1.00 21.31 C ATOM 1868 CD PRO A 125 18.463 2.895 -1.658 1.00 10.43 C ATOM 0 HA PRO A 125 16.870 4.448 -4.040 1.00 4.12 H new ATOM 0 HB2 PRO A 125 17.944 6.144 -2.119 1.00 23.43 H new ATOM 0 HB3 PRO A 125 16.602 5.087 -1.729 1.00 23.43 H new ATOM 0 HG2 PRO A 125 19.539 4.695 -1.185 1.00 21.31 H new ATOM 0 HG3 PRO A 125 18.174 4.382 -0.132 1.00 21.31 H new ATOM 0 HD2 PRO A 125 19.409 2.378 -1.500 1.00 10.43 H new ATOM 0 HD3 PRO A 125 17.695 2.319 -1.142 1.00 10.43 H new ATOM 1876 N LYS A 126 18.474 5.470 -5.507 1.00 1.50 N ATOM 1877 CA LYS A 126 19.393 6.150 -6.412 1.00 65.42 C ATOM 1878 C LYS A 126 19.418 7.650 -6.136 1.00 33.33 C ATOM 1879 O LYS A 126 20.409 8.324 -6.414 1.00 12.21 O ATOM 1880 CB LYS A 126 18.992 5.894 -7.866 1.00 4.33 C ATOM 1881 CG LYS A 126 17.601 6.398 -8.210 1.00 21.32 C ATOM 1882 CD LYS A 126 17.634 7.834 -8.705 1.00 73.25 C ATOM 1883 CE LYS A 126 16.544 8.094 -9.733 1.00 21.43 C ATOM 1884 NZ LYS A 126 16.859 9.271 -10.589 1.00 72.12 N1+ ATOM 0 H LYS A 126 17.549 5.294 -5.900 1.00 1.50 H new ATOM 0 HA LYS A 126 20.393 5.751 -6.242 1.00 65.42 H new ATOM 0 HB2 LYS A 126 19.716 6.374 -8.524 1.00 4.33 H new ATOM 0 HB3 LYS A 126 19.041 4.823 -8.065 1.00 4.33 H new ATOM 0 HG2 LYS A 126 17.160 5.759 -8.975 1.00 21.32 H new ATOM 0 HG3 LYS A 126 16.961 6.330 -7.330 1.00 21.32 H new ATOM 0 HD2 LYS A 126 17.510 8.514 -7.862 1.00 73.25 H new ATOM 0 HD3 LYS A 126 18.609 8.046 -9.145 1.00 73.25 H new ATOM 0 HE2 LYS A 126 16.419 7.212 -10.361 1.00 21.43 H new ATOM 0 HE3 LYS A 126 15.595 8.260 -9.223 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 16.092 9.415 -11.277 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 16.954 10.118 -9.993 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 17.751 9.103 -11.096 1.00 72.12 H new ATOM 1898 N GLU A 127 18.322 8.165 -5.587 1.00 63.52 N ATOM 1899 CA GLU A 127 18.220 9.585 -5.274 1.00 4.22 C ATOM 1900 C GLU A 127 19.067 9.935 -4.053 1.00 54.22 C ATOM 1901 O GLU A 127 19.206 11.104 -3.697 1.00 33.32 O ATOM 1902 CB GLU A 127 16.761 9.972 -5.023 1.00 12.12 C ATOM 1903 CG GLU A 127 16.076 9.112 -3.975 1.00 23.42 C ATOM 1904 CD GLU A 127 14.838 9.771 -3.400 1.00 72.31 C ATOM 1905 OE1 GLU A 127 14.892 10.985 -3.110 1.00 44.44 O1- ATOM 1906 OE2 GLU A 127 13.814 9.074 -3.238 1.00 54.12 O ATOM 0 H GLU A 127 17.493 7.620 -5.350 1.00 63.52 H new ATOM 0 HA GLU A 127 18.595 10.147 -6.129 1.00 4.22 H new ATOM 0 HB2 GLU A 127 16.719 11.015 -4.709 1.00 12.12 H new ATOM 0 HB3 GLU A 127 16.208 9.899 -5.959 1.00 12.12 H new ATOM 0 HG2 GLU A 127 15.801 8.155 -4.418 1.00 23.42 H new ATOM 0 HG3 GLU A 127 16.778 8.900 -3.169 1.00 23.42 H new TER 1913 GLU A 127