USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 941 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 118 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 119 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 88 HIS : no HD1:sc= 0 X(o=-0.64,f=-0.86) USER MOD Set 2.2: A 124 ASN : amide:sc= -0.644 K(o=-0.64,f=-8.2!) USER MOD Set 3.1: A 10 CYS SG : rot 180:sc= -0.219 USER MOD Set 3.2: A 59 THR OG1 : rot -143:sc= 0.0491 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0964 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 28:sc= 0.461 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= -0.0796 (180deg=-0.393) USER MOD Single : A 13 MET CE :methyl -143:sc= -0.955 (180deg=-3.3!) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= -0.93 (180deg=-1.36!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.226 USER MOD Single : A 27 ASN : amide:sc= -3.34 K(o=-3.3,f=-3.9!) USER MOD Single : A 31 HIS : no HD1:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.5 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 105:sc= -0.0325 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 52 SER OG : rot -34:sc= 1.07 USER MOD Single : A 56 HIS : no HD1:sc= -0.0313 X(o=-0.031,f=-0.067) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -57:sc= -0.421 USER MOD Single : A 70 LYS NZ :NH3+ -133:sc= 0.732 (180deg=0.187) USER MOD Single : A 75 THR OG1 : rot 133:sc= 1.77 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 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 -163:sc= -2.09 (180deg=-3.13) USER MOD Single : A 90 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.89) USER MOD Single : A 96 THR OG1 : rot -107:sc= 0.00789 USER MOD Single : A 98 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.049) 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 106 THR OG1 : rot -170:sc= -0.473 USER MOD Single : A 110 MET CE :methyl -128:sc= -1.88 (180deg=-11!) USER MOD Single : A 112 SER OG : rot 180:sc= -0.0499 USER MOD Single : A 114 TYR OH : rot 180:sc= -0.0205 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 164:sc= -1.9! USER MOD Single : A 123 THR OG1 : rot 56:sc= 0.0921 USER MOD Single : A 126 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00688) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.817 -11.221 1.881 1.00 61.14 N ATOM 2 CA GLY A 1 -4.780 -10.217 2.929 1.00 32.12 C ATOM 3 C GLY A 1 -5.131 -8.834 2.419 1.00 34.20 C ATOM 4 O GLY A 1 -5.346 -8.624 1.225 1.00 34.12 O ATOM 0 H1 GLY A 1 -5.586 -11.895 2.073 1.00 61.14 H new ATOM 0 H2 GLY A 1 -4.982 -10.759 0.964 1.00 61.14 H new ATOM 0 H3 GLY A 1 -3.910 -11.729 1.855 1.00 61.14 H new ATOM 0 HA2 GLY A 1 -5.476 -10.496 3.720 1.00 32.12 H new ATOM 0 HA3 GLY A 1 -3.785 -10.196 3.372 1.00 32.12 H new ATOM 8 N PRO A 2 -5.198 -7.860 3.340 1.00 40.13 N ATOM 9 CA PRO A 2 -5.528 -6.472 3.001 1.00 12.23 C ATOM 10 C PRO A 2 -4.416 -5.788 2.213 1.00 60.11 C ATOM 11 O PRO A 2 -3.457 -6.430 1.786 1.00 13.32 O ATOM 12 CB PRO A 2 -5.703 -5.806 4.368 1.00 65.30 C ATOM 13 CG PRO A 2 -4.881 -6.628 5.299 1.00 53.50 C ATOM 14 CD PRO A 2 -4.955 -8.038 4.780 1.00 2.22 C ATOM 0 HA PRO A 2 -6.410 -6.406 2.363 1.00 12.23 H new ATOM 0 HB2 PRO A 2 -5.364 -4.770 4.350 1.00 65.30 H new ATOM 0 HB3 PRO A 2 -6.750 -5.793 4.671 1.00 65.30 H new ATOM 0 HG2 PRO A 2 -3.850 -6.275 5.325 1.00 53.50 H new ATOM 0 HG3 PRO A 2 -5.265 -6.566 6.317 1.00 53.50 H new ATOM 0 HD2 PRO A 2 -4.030 -8.584 4.967 1.00 2.22 H new ATOM 0 HD3 PRO A 2 -5.758 -8.600 5.256 1.00 2.22 H new ATOM 22 N THR A 3 -4.550 -4.479 2.025 1.00 14.22 N ATOM 23 CA THR A 3 -3.557 -3.707 1.288 1.00 30.12 C ATOM 24 C THR A 3 -2.172 -3.857 1.909 1.00 52.42 C ATOM 25 O THR A 3 -2.002 -4.552 2.909 1.00 64.13 O ATOM 26 CB THR A 3 -3.928 -2.212 1.242 1.00 60.14 C ATOM 27 OG1 THR A 3 -3.737 -1.620 2.533 1.00 65.23 O ATOM 28 CG2 THR A 3 -5.372 -2.026 0.801 1.00 54.24 C ATOM 0 H THR A 3 -5.337 -3.931 2.373 1.00 14.22 H new ATOM 0 HA THR A 3 -3.541 -4.101 0.272 1.00 30.12 H new ATOM 0 HB THR A 3 -3.278 -1.721 0.518 1.00 60.14 H new ATOM 0 HG1 THR A 3 -3.973 -0.670 2.495 1.00 65.23 H new ATOM 0 HG21 THR A 3 -5.611 -0.963 0.776 1.00 54.24 H new ATOM 0 HG22 THR A 3 -5.506 -2.451 -0.193 1.00 54.24 H new ATOM 0 HG23 THR A 3 -6.035 -2.530 1.504 1.00 54.24 H new ATOM 36 N GLY A 4 -1.186 -3.198 1.309 1.00 41.43 N ATOM 37 CA GLY A 4 0.171 -3.271 1.818 1.00 44.14 C ATOM 38 C GLY A 4 0.869 -1.926 1.804 1.00 45.21 C ATOM 39 O GLY A 4 0.489 -1.028 1.052 1.00 55.11 O ATOM 0 H GLY A 4 -1.302 -2.615 0.480 1.00 41.43 H new ATOM 0 HA2 GLY A 4 0.153 -3.657 2.837 1.00 44.14 H new ATOM 0 HA3 GLY A 4 0.743 -3.980 1.219 1.00 44.14 H new ATOM 43 N THR A 5 1.892 -1.783 2.639 1.00 31.41 N ATOM 44 CA THR A 5 2.643 -0.537 2.723 1.00 22.34 C ATOM 45 C THR A 5 4.046 -0.700 2.153 1.00 31.32 C ATOM 46 O THR A 5 4.816 -1.548 2.603 1.00 14.22 O ATOM 47 CB THR A 5 2.748 -0.041 4.178 1.00 73.45 C ATOM 48 OG1 THR A 5 3.426 -1.015 4.980 1.00 5.02 O ATOM 49 CG2 THR A 5 1.368 0.229 4.759 1.00 64.33 C ATOM 0 H THR A 5 2.220 -2.516 3.268 1.00 31.41 H new ATOM 0 HA THR A 5 2.098 0.200 2.133 1.00 22.34 H new ATOM 0 HB THR A 5 3.315 0.890 4.181 1.00 73.45 H new ATOM 0 HG1 THR A 5 4.043 -1.529 4.418 1.00 5.02 H new ATOM 0 HG21 THR A 5 1.468 0.578 5.787 1.00 64.33 H new ATOM 0 HG22 THR A 5 0.866 0.992 4.164 1.00 64.33 H new ATOM 0 HG23 THR A 5 0.781 -0.689 4.743 1.00 64.33 H new ATOM 57 N GLY A 6 4.374 0.118 1.157 1.00 71.40 N ATOM 58 CA GLY A 6 5.686 0.049 0.541 1.00 40.22 C ATOM 59 C GLY A 6 5.984 1.253 -0.330 1.00 10.15 C ATOM 60 O GLY A 6 6.590 1.124 -1.393 1.00 53.20 O ATOM 0 H GLY A 6 3.754 0.827 0.766 1.00 71.40 H new ATOM 0 HA2 GLY A 6 6.445 -0.029 1.319 1.00 40.22 H new ATOM 0 HA3 GLY A 6 5.753 -0.857 -0.062 1.00 40.22 H new ATOM 64 N GLU A 7 5.553 2.427 0.121 1.00 40.40 N ATOM 65 CA GLU A 7 5.775 3.660 -0.627 1.00 12.15 C ATOM 66 C GLU A 7 6.970 4.427 -0.069 1.00 51.21 C ATOM 67 O GLU A 7 7.632 3.973 0.864 1.00 21.41 O ATOM 68 CB GLU A 7 4.524 4.540 -0.584 1.00 43.22 C ATOM 69 CG GLU A 7 4.066 4.879 0.825 1.00 35.11 C ATOM 70 CD GLU A 7 2.611 4.523 1.065 1.00 70.21 C ATOM 71 OE1 GLU A 7 1.782 4.768 0.163 1.00 72.12 O1- ATOM 72 OE2 GLU A 7 2.302 3.999 2.156 1.00 64.44 O ATOM 0 H GLU A 7 5.049 2.551 0.999 1.00 40.40 H new ATOM 0 HA GLU A 7 5.988 3.394 -1.662 1.00 12.15 H new ATOM 0 HB2 GLU A 7 4.722 5.465 -1.125 1.00 43.22 H new ATOM 0 HB3 GLU A 7 3.714 4.032 -1.108 1.00 43.22 H new ATOM 0 HG2 GLU A 7 4.690 4.348 1.544 1.00 35.11 H new ATOM 0 HG3 GLU A 7 4.210 5.945 1.004 1.00 35.11 H new ATOM 79 N SER A 8 7.239 5.593 -0.647 1.00 30.32 N ATOM 80 CA SER A 8 8.357 6.422 -0.212 1.00 50.54 C ATOM 81 C SER A 8 7.896 7.850 0.069 1.00 74.54 C ATOM 82 O SER A 8 6.699 8.138 0.089 1.00 32.03 O ATOM 83 CB SER A 8 9.458 6.429 -1.272 1.00 2.22 C ATOM 84 OG SER A 8 9.073 7.190 -2.404 1.00 41.42 O ATOM 0 H SER A 8 6.698 5.985 -1.418 1.00 30.32 H new ATOM 0 HA SER A 8 8.755 5.998 0.710 1.00 50.54 H new ATOM 0 HB2 SER A 8 10.373 6.841 -0.847 1.00 2.22 H new ATOM 0 HB3 SER A 8 9.680 5.406 -1.576 1.00 2.22 H new ATOM 0 HG SER A 8 9.795 7.180 -3.066 1.00 41.42 H new ATOM 90 N LYS A 9 8.856 8.743 0.285 1.00 25.14 N ATOM 91 CA LYS A 9 8.553 10.141 0.564 1.00 4.14 C ATOM 92 C LYS A 9 9.830 10.974 0.622 1.00 50.55 C ATOM 93 O LYS A 9 9.834 12.148 0.247 1.00 2.11 O ATOM 94 CB LYS A 9 7.790 10.266 1.884 1.00 2.34 C ATOM 95 CG LYS A 9 8.672 10.118 3.112 1.00 10.32 C ATOM 96 CD LYS A 9 9.109 8.677 3.314 1.00 40.34 C ATOM 97 CE LYS A 9 7.915 7.754 3.513 1.00 14.34 C ATOM 98 NZ LYS A 9 6.973 8.282 4.540 1.00 60.34 N1+ ATOM 0 H LYS A 9 9.852 8.522 0.272 1.00 25.14 H new ATOM 0 HA LYS A 9 7.930 10.520 -0.246 1.00 4.14 H new ATOM 0 HB2 LYS A 9 7.295 11.236 1.917 1.00 2.34 H new ATOM 0 HB3 LYS A 9 7.008 9.508 1.915 1.00 2.34 H new ATOM 0 HG2 LYS A 9 9.551 10.755 3.009 1.00 10.32 H new ATOM 0 HG3 LYS A 9 8.131 10.462 3.993 1.00 10.32 H new ATOM 0 HD2 LYS A 9 9.686 8.346 2.450 1.00 40.34 H new ATOM 0 HD3 LYS A 9 9.768 8.614 4.180 1.00 40.34 H new ATOM 0 HE2 LYS A 9 7.389 7.631 2.566 1.00 14.34 H new ATOM 0 HE3 LYS A 9 8.265 6.767 3.814 1.00 14.34 H new ATOM 0 HZ1 LYS A 9 6.320 7.527 4.833 1.00 60.34 H new ATOM 0 HZ2 LYS A 9 7.511 8.614 5.366 1.00 60.34 H new ATOM 0 HZ3 LYS A 9 6.430 9.073 4.139 1.00 60.34 H new ATOM 112 N CYS A 10 10.910 10.361 1.091 1.00 54.34 N ATOM 113 CA CYS A 10 12.193 11.046 1.197 1.00 63.03 C ATOM 114 C CYS A 10 13.101 10.685 0.025 1.00 10.52 C ATOM 115 O CYS A 10 12.933 9.655 -0.627 1.00 12.21 O ATOM 116 CB CYS A 10 12.879 10.688 2.517 1.00 2.32 C ATOM 117 SG CYS A 10 12.777 11.983 3.776 1.00 4.01 S ATOM 0 H CYS A 10 10.923 9.390 1.404 1.00 54.34 H new ATOM 0 HA CYS A 10 12.006 12.120 1.172 1.00 63.03 H new ATOM 0 HB2 CYS A 10 12.431 9.776 2.912 1.00 2.32 H new ATOM 0 HB3 CYS A 10 13.928 10.468 2.321 1.00 2.32 H new ATOM 0 HG CYS A 10 13.383 11.587 4.856 1.00 4.01 H new ATOM 123 N PRO A 11 14.086 11.553 -0.250 1.00 53.44 N ATOM 124 CA PRO A 11 15.038 11.348 -1.345 1.00 54.45 C ATOM 125 C PRO A 11 15.998 10.195 -1.069 1.00 45.03 C ATOM 126 O PRO A 11 16.380 9.460 -1.982 1.00 23.34 O ATOM 127 CB PRO A 11 15.799 12.674 -1.406 1.00 72.55 C ATOM 128 CG PRO A 11 15.686 13.240 -0.032 1.00 3.34 C ATOM 129 CD PRO A 11 14.345 12.802 0.486 1.00 61.21 C ATOM 0 HA PRO A 11 14.538 11.085 -2.277 1.00 54.45 H new ATOM 0 HB2 PRO A 11 16.841 12.520 -1.686 1.00 72.55 H new ATOM 0 HB3 PRO A 11 15.366 13.345 -2.147 1.00 72.55 H new ATOM 0 HG2 PRO A 11 16.490 12.875 0.608 1.00 3.34 H new ATOM 0 HG3 PRO A 11 15.761 14.327 -0.050 1.00 3.34 H new ATOM 0 HD2 PRO A 11 14.365 12.637 1.563 1.00 61.21 H new ATOM 0 HD3 PRO A 11 13.576 13.549 0.292 1.00 61.21 H new ATOM 137 N LEU A 12 16.384 10.042 0.192 1.00 63.12 N ATOM 138 CA LEU A 12 17.301 8.977 0.588 1.00 52.33 C ATOM 139 C LEU A 12 16.802 8.269 1.843 1.00 2.43 C ATOM 140 O LEU A 12 16.346 8.910 2.790 1.00 13.02 O ATOM 141 CB LEU A 12 18.700 9.546 0.831 1.00 40.22 C ATOM 142 CG LEU A 12 19.653 8.661 1.635 1.00 11.33 C ATOM 143 CD1 LEU A 12 20.279 7.602 0.743 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.730 9.507 2.300 1.00 15.23 C ATOM 0 H LEU A 12 16.077 10.641 0.958 1.00 63.12 H new ATOM 0 HA LEU A 12 17.347 8.250 -0.223 1.00 52.33 H new ATOM 0 HB2 LEU A 12 19.158 9.755 -0.136 1.00 40.22 H new ATOM 0 HB3 LEU A 12 18.598 10.500 1.349 1.00 40.22 H new ATOM 0 HG LEU A 12 19.081 8.157 2.414 1.00 11.33 H new ATOM 0 HD11 LEU A 12 20.954 6.982 1.333 1.00 73.42 H new ATOM 0 HD12 LEU A 12 19.495 6.978 0.314 1.00 73.42 H new ATOM 0 HD13 LEU A 12 20.838 8.085 -0.059 1.00 73.42 H new ATOM 0 HD21 LEU A 12 21.400 8.862 2.868 1.00 15.23 H new ATOM 0 HD22 LEU A 12 21.299 10.038 1.537 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.264 10.227 2.972 1.00 15.23 H new ATOM 156 N MET A 13 16.894 6.943 1.843 1.00 61.20 N ATOM 157 CA MET A 13 16.456 6.148 2.985 1.00 22.34 C ATOM 158 C MET A 13 17.411 4.987 3.237 1.00 2.51 C ATOM 159 O MET A 13 18.007 4.446 2.306 1.00 53.15 O ATOM 160 CB MET A 13 15.040 5.617 2.749 1.00 74.34 C ATOM 161 CG MET A 13 14.937 4.664 1.568 1.00 62.10 C ATOM 162 SD MET A 13 13.673 3.401 1.803 1.00 31.34 S ATOM 163 CE MET A 13 14.323 2.532 3.227 1.00 60.31 C ATOM 0 H MET A 13 17.267 6.397 1.066 1.00 61.20 H new ATOM 0 HA MET A 13 16.454 6.791 3.865 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.698 5.106 3.649 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.368 6.459 2.586 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.713 5.233 0.666 1.00 62.10 H new ATOM 0 HG3 MET A 13 15.902 4.182 1.410 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.123 1.465 3.125 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.399 2.695 3.293 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.844 2.906 4.132 1.00 60.31 H new ATOM 173 N VAL A 14 17.554 4.608 4.504 1.00 21.22 N ATOM 174 CA VAL A 14 18.437 3.510 4.878 1.00 2.34 C ATOM 175 C VAL A 14 17.640 2.256 5.221 1.00 34.21 C ATOM 176 O VAL A 14 16.792 2.269 6.114 1.00 35.53 O ATOM 177 CB VAL A 14 19.321 3.887 6.082 1.00 44.00 C ATOM 178 CG1 VAL A 14 20.169 2.700 6.515 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.197 5.084 5.744 1.00 44.55 C ATOM 0 H VAL A 14 17.070 5.045 5.288 1.00 21.22 H new ATOM 0 HA VAL A 14 19.074 3.308 4.017 1.00 2.34 H new ATOM 0 HB VAL A 14 18.674 4.162 6.915 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.787 2.985 7.367 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.519 1.873 6.800 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.810 2.390 5.690 1.00 51.25 H new ATOM 0 HG21 VAL A 14 20.815 5.337 6.605 1.00 44.55 H new ATOM 0 HG22 VAL A 14 20.838 4.838 4.897 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.567 5.935 5.487 1.00 44.55 H new ATOM 189 N LYS A 15 17.918 1.171 4.505 1.00 20.03 N ATOM 190 CA LYS A 15 17.230 -0.094 4.733 1.00 34.30 C ATOM 191 C LYS A 15 18.183 -1.137 5.305 1.00 62.02 C ATOM 192 O LYS A 15 19.086 -1.613 4.615 1.00 61.44 O ATOM 193 CB LYS A 15 16.620 -0.608 3.427 1.00 53.00 C ATOM 194 CG LYS A 15 16.047 -2.011 3.534 1.00 15.14 C ATOM 195 CD LYS A 15 14.861 -2.058 4.481 1.00 41.01 C ATOM 196 CE LYS A 15 15.253 -2.632 5.835 1.00 63.11 C ATOM 197 NZ LYS A 15 14.154 -3.439 6.434 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.616 1.143 3.761 1.00 20.03 H new ATOM 0 HA LYS A 15 16.434 0.080 5.457 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.831 0.074 3.111 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.384 -0.595 2.649 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.739 -2.356 2.547 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.820 -2.695 3.884 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.459 -1.054 4.613 1.00 41.01 H new ATOM 0 HD3 LYS A 15 14.068 -2.664 4.043 1.00 41.01 H new ATOM 0 HE2 LYS A 15 16.141 -3.254 5.722 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.517 -1.819 6.511 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.307 -3.527 7.459 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.243 -2.969 6.258 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 14.144 -4.386 6.003 1.00 53.54 H new ATOM 211 N VAL A 16 17.977 -1.489 6.571 1.00 25.51 N ATOM 212 CA VAL A 16 18.817 -2.479 7.235 1.00 72.30 C ATOM 213 C VAL A 16 17.975 -3.593 7.845 1.00 42.30 C ATOM 214 O VAL A 16 17.130 -3.347 8.706 1.00 53.32 O ATOM 215 CB VAL A 16 19.675 -1.835 8.340 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.532 -2.885 9.030 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.541 -0.724 7.763 1.00 21.20 C ATOM 0 H VAL A 16 17.236 -1.103 7.157 1.00 25.51 H new ATOM 0 HA VAL A 16 19.474 -2.900 6.474 1.00 72.30 H new ATOM 0 HB VAL A 16 19.009 -1.397 9.084 1.00 4.53 H new ATOM 0 HG11 VAL A 16 21.131 -2.412 9.808 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.889 -3.642 9.478 1.00 11.20 H new ATOM 0 HG13 VAL A 16 21.191 -3.354 8.299 1.00 11.20 H new ATOM 0 HG21 VAL A 16 21.141 -0.280 8.558 1.00 21.20 H new ATOM 0 HG22 VAL A 16 21.200 -1.136 6.998 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.904 0.041 7.319 1.00 21.20 H new ATOM 227 N LEU A 17 18.213 -4.820 7.394 1.00 45.53 N ATOM 228 CA LEU A 17 17.476 -5.976 7.897 1.00 34.25 C ATOM 229 C LEU A 17 18.410 -7.161 8.122 1.00 35.30 C ATOM 230 O LEU A 17 19.424 -7.303 7.438 1.00 14.24 O ATOM 231 CB LEU A 17 16.367 -6.364 6.916 1.00 4.15 C ATOM 232 CG LEU A 17 16.795 -7.221 5.724 1.00 21.13 C ATOM 233 CD1 LEU A 17 16.291 -8.646 5.883 1.00 54.51 C ATOM 234 CD2 LEU A 17 16.288 -6.616 4.424 1.00 44.01 C ATOM 0 H LEU A 17 18.909 -5.041 6.682 1.00 45.53 H new ATOM 0 HA LEU A 17 17.028 -5.704 8.853 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.595 -6.902 7.466 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.910 -5.451 6.536 1.00 4.15 H new ATOM 0 HG LEU A 17 17.884 -7.245 5.690 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.605 -9.241 5.025 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.703 -9.078 6.795 1.00 54.51 H new ATOM 0 HD13 LEU A 17 15.203 -8.642 5.943 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.602 -7.239 3.586 1.00 44.01 H new ATOM 0 HD22 LEU A 17 15.200 -6.562 4.448 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.699 -5.613 4.305 1.00 44.01 H new ATOM 246 N ASP A 18 18.059 -8.009 9.083 1.00 35.22 N ATOM 247 CA ASP A 18 18.864 -9.184 9.395 1.00 62.01 C ATOM 248 C ASP A 18 18.512 -10.345 8.471 1.00 31.11 C ATOM 249 O ASP A 18 17.420 -10.907 8.551 1.00 73.51 O ATOM 250 CB ASP A 18 18.658 -9.596 10.854 1.00 12.00 C ATOM 251 CG ASP A 18 19.625 -8.903 11.793 1.00 12.43 C ATOM 252 OD1 ASP A 18 19.717 -7.659 11.739 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 20.290 -9.605 12.584 1.00 41.53 O ATOM 0 H ASP A 18 17.223 -7.905 9.659 1.00 35.22 H new ATOM 0 HA ASP A 18 19.912 -8.927 9.242 1.00 62.01 H new ATOM 0 HB2 ASP A 18 17.636 -9.364 11.153 1.00 12.00 H new ATOM 0 HB3 ASP A 18 18.779 -10.675 10.944 1.00 12.00 H new ATOM 258 N ALA A 19 19.445 -10.700 7.593 1.00 34.14 N ATOM 259 CA ALA A 19 19.234 -11.794 6.654 1.00 74.24 C ATOM 260 C ALA A 19 18.994 -13.109 7.390 1.00 42.11 C ATOM 261 O ALA A 19 18.486 -14.071 6.812 1.00 25.21 O ATOM 262 CB ALA A 19 20.424 -11.922 5.716 1.00 45.22 C ATOM 0 H ALA A 19 20.354 -10.245 7.513 1.00 34.14 H new ATOM 0 HA ALA A 19 18.345 -11.569 6.065 1.00 74.24 H new ATOM 0 HB1 ALA A 19 20.252 -12.743 5.020 1.00 45.22 H new ATOM 0 HB2 ALA A 19 20.549 -10.994 5.158 1.00 45.22 H new ATOM 0 HB3 ALA A 19 21.325 -12.121 6.296 1.00 45.22 H new ATOM 268 N VAL A 20 19.364 -13.144 8.665 1.00 34.04 N ATOM 269 CA VAL A 20 19.188 -14.341 9.480 1.00 21.35 C ATOM 270 C VAL A 20 17.751 -14.846 9.412 1.00 44.04 C ATOM 271 O VAL A 20 17.509 -16.029 9.170 1.00 43.12 O ATOM 272 CB VAL A 20 19.560 -14.079 10.951 1.00 5.35 C ATOM 273 CG1 VAL A 20 19.351 -15.333 11.787 1.00 34.41 C ATOM 274 CG2 VAL A 20 20.996 -13.590 11.058 1.00 3.13 C ATOM 0 H VAL A 20 19.788 -12.357 9.157 1.00 34.04 H new ATOM 0 HA VAL A 20 19.856 -15.101 9.075 1.00 21.35 H new ATOM 0 HB VAL A 20 18.905 -13.299 11.340 1.00 5.35 H new ATOM 0 HG11 VAL A 20 19.619 -15.128 12.823 1.00 34.41 H new ATOM 0 HG12 VAL A 20 18.305 -15.634 11.736 1.00 34.41 H new ATOM 0 HG13 VAL A 20 19.979 -16.136 11.402 1.00 34.41 H new ATOM 0 HG21 VAL A 20 21.242 -13.410 12.104 1.00 3.13 H new ATOM 0 HG22 VAL A 20 21.669 -14.345 10.652 1.00 3.13 H new ATOM 0 HG23 VAL A 20 21.108 -12.664 10.494 1.00 3.13 H new ATOM 284 N ARG A 21 16.801 -13.942 9.626 1.00 13.31 N ATOM 285 CA ARG A 21 15.388 -14.296 9.591 1.00 41.52 C ATOM 286 C ARG A 21 14.669 -13.549 8.471 1.00 40.44 C ATOM 287 O ARG A 21 13.566 -13.920 8.072 1.00 1.41 O ATOM 288 CB ARG A 21 14.727 -13.980 10.934 1.00 42.31 C ATOM 289 CG ARG A 21 15.602 -14.305 12.134 1.00 55.31 C ATOM 290 CD ARG A 21 16.357 -13.078 12.621 1.00 11.13 C ATOM 291 NE ARG A 21 15.744 -12.493 13.811 1.00 51.30 N ATOM 292 CZ ARG A 21 15.785 -13.060 15.011 1.00 13.52 C ATOM 293 NH1 ARG A 21 16.408 -14.218 15.180 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 15.204 -12.467 16.046 1.00 1.52 N ATOM 0 H ARG A 21 16.985 -12.959 9.826 1.00 13.31 H new ATOM 0 HA ARG A 21 15.312 -15.366 9.399 1.00 41.52 H new ATOM 0 HB2 ARG A 21 14.466 -12.922 10.961 1.00 42.31 H new ATOM 0 HB3 ARG A 21 13.795 -14.540 11.012 1.00 42.31 H new ATOM 0 HG2 ARG A 21 14.983 -14.697 12.941 1.00 55.31 H new ATOM 0 HG3 ARG A 21 16.312 -15.088 11.867 1.00 55.31 H new ATOM 0 HD2 ARG A 21 17.389 -13.352 12.842 1.00 11.13 H new ATOM 0 HD3 ARG A 21 16.388 -12.333 11.826 1.00 11.13 H new ATOM 0 HE ARG A 21 15.258 -11.601 13.715 1.00 51.30 H new ATOM 0 HH11 ARG A 21 16.858 -14.676 14.387 1.00 72.23 H new ATOM 0 HH12 ARG A 21 16.438 -14.651 16.103 1.00 72.23 H new ATOM 0 HH21 ARG A 21 14.725 -11.575 15.920 1.00 1.52 H new ATOM 0 HH22 ARG A 21 15.236 -12.903 16.968 1.00 1.52 H new ATOM 308 N GLY A 22 15.302 -12.493 7.967 1.00 74.32 N ATOM 309 CA GLY A 22 14.708 -11.711 6.900 1.00 71.21 C ATOM 310 C GLY A 22 13.925 -10.522 7.419 1.00 53.11 C ATOM 311 O GLY A 22 13.297 -9.798 6.646 1.00 34.42 O ATOM 0 H GLY A 22 16.216 -12.166 8.280 1.00 74.32 H new ATOM 0 HA2 GLY A 22 15.493 -11.360 6.230 1.00 71.21 H new ATOM 0 HA3 GLY A 22 14.048 -12.348 6.311 1.00 71.21 H new ATOM 315 N SER A 23 13.962 -10.318 8.732 1.00 51.51 N ATOM 316 CA SER A 23 13.247 -9.211 9.354 1.00 3.34 C ATOM 317 C SER A 23 14.152 -7.990 9.495 1.00 32.43 C ATOM 318 O SER A 23 15.377 -8.083 9.421 1.00 43.34 O ATOM 319 CB SER A 23 12.714 -9.627 10.726 1.00 71.44 C ATOM 320 OG SER A 23 13.314 -10.835 11.162 1.00 35.11 O ATOM 0 H SER A 23 14.480 -10.906 9.385 1.00 51.51 H new ATOM 0 HA SER A 23 12.407 -8.946 8.711 1.00 3.34 H new ATOM 0 HB2 SER A 23 12.911 -8.837 11.451 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.632 -9.752 10.677 1.00 71.44 H new ATOM 0 HG SER A 23 12.958 -11.078 12.042 1.00 35.11 H new ATOM 326 N PRO A 24 13.534 -6.818 9.703 1.00 34.11 N ATOM 327 CA PRO A 24 14.263 -5.556 9.860 1.00 75.01 C ATOM 328 C PRO A 24 15.038 -5.493 11.172 1.00 32.44 C ATOM 329 O PRO A 24 14.649 -6.111 12.164 1.00 65.23 O ATOM 330 CB PRO A 24 13.154 -4.501 9.844 1.00 55.43 C ATOM 331 CG PRO A 24 11.937 -5.224 10.306 1.00 2.33 C ATOM 332 CD PRO A 24 12.077 -6.634 9.804 1.00 25.13 C ATOM 0 HA PRO A 24 15.012 -5.419 9.080 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.392 -3.666 10.503 1.00 55.43 H new ATOM 0 HB3 PRO A 24 13.014 -4.089 8.845 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.860 -5.203 11.393 1.00 2.33 H new ATOM 0 HG3 PRO A 24 11.033 -4.758 9.913 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.628 -7.351 10.491 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.587 -6.767 8.839 1.00 25.13 H new ATOM 340 N ALA A 25 16.136 -4.744 11.171 1.00 41.01 N ATOM 341 CA ALA A 25 16.963 -4.599 12.362 1.00 63.44 C ATOM 342 C ALA A 25 16.615 -3.323 13.121 1.00 30.11 C ATOM 343 O ALA A 25 16.438 -2.262 12.521 1.00 75.14 O ATOM 344 CB ALA A 25 18.437 -4.605 11.985 1.00 64.11 C ATOM 0 H ALA A 25 16.473 -4.228 10.358 1.00 41.01 H new ATOM 0 HA ALA A 25 16.763 -5.446 13.018 1.00 63.44 H new ATOM 0 HB1 ALA A 25 19.043 -4.496 12.884 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.683 -5.546 11.494 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.642 -3.777 11.306 1.00 64.11 H new ATOM 350 N ILE A 26 16.517 -3.434 14.441 1.00 43.00 N ATOM 351 CA ILE A 26 16.189 -2.288 15.281 1.00 13.15 C ATOM 352 C ILE A 26 17.419 -1.787 16.031 1.00 11.44 C ATOM 353 O ILE A 26 18.221 -2.578 16.526 1.00 75.40 O ATOM 354 CB ILE A 26 15.086 -2.632 16.299 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.707 -2.324 15.713 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.301 -1.863 17.594 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.280 -0.884 15.896 1.00 11.12 C ATOM 0 H ILE A 26 16.660 -4.305 14.952 1.00 43.00 H new ATOM 0 HA ILE A 26 15.826 -1.504 14.617 1.00 13.15 H new ATOM 0 HB ILE A 26 15.136 -3.698 16.520 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.712 -2.560 14.649 1.00 52.34 H new ATOM 0 HG13 ILE A 26 12.969 -2.976 16.181 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.513 -2.117 18.303 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.270 -2.128 18.018 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.274 -0.793 17.390 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.293 -0.738 15.456 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.242 -0.648 16.959 1.00 11.12 H new ATOM 0 HD13 ILE A 26 13.997 -0.227 15.404 1.00 11.12 H new ATOM 369 N ASN A 27 17.559 -0.467 16.115 1.00 72.15 N ATOM 370 CA ASN A 27 18.690 0.139 16.805 1.00 74.24 C ATOM 371 C ASN A 27 20.006 -0.236 16.131 1.00 65.44 C ATOM 372 O ASN A 27 20.899 -0.804 16.760 1.00 74.45 O ATOM 373 CB ASN A 27 18.713 -0.298 18.272 1.00 42.11 C ATOM 374 CG ASN A 27 17.379 -0.083 18.961 1.00 53.35 C ATOM 375 OD1 ASN A 27 16.941 -0.907 19.763 1.00 33.42 O ATOM 376 ND2 ASN A 27 16.725 1.031 18.648 1.00 65.05 N ATOM 0 H ASN A 27 16.902 0.202 15.713 1.00 72.15 H new ATOM 0 HA ASN A 27 18.574 1.222 16.756 1.00 74.24 H new ATOM 0 HB2 ASN A 27 18.983 -1.353 18.330 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.486 0.258 18.802 1.00 42.11 H new ATOM 0 HD21 ASN A 27 15.822 1.230 19.078 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.126 1.687 17.977 1.00 65.05 H new ATOM 383 N VAL A 28 20.118 0.085 14.845 1.00 63.23 N ATOM 384 CA VAL A 28 21.324 -0.217 14.085 1.00 64.00 C ATOM 385 C VAL A 28 22.066 1.058 13.702 1.00 62.33 C ATOM 386 O VAL A 28 21.598 1.834 12.870 1.00 75.42 O ATOM 387 CB VAL A 28 20.998 -1.012 12.806 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.259 -1.257 11.992 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.315 -2.326 13.156 1.00 70.12 C ATOM 0 H VAL A 28 19.388 0.554 14.309 1.00 63.23 H new ATOM 0 HA VAL A 28 21.960 -0.824 14.729 1.00 64.00 H new ATOM 0 HB VAL A 28 20.312 -0.422 12.198 1.00 51.21 H new ATOM 0 HG11 VAL A 28 22.008 -1.820 11.093 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.702 -0.302 11.710 1.00 23.21 H new ATOM 0 HG13 VAL A 28 22.972 -1.826 12.589 1.00 23.21 H new ATOM 0 HG21 VAL A 28 20.092 -2.875 12.241 1.00 70.12 H new ATOM 0 HG22 VAL A 28 20.975 -2.923 13.785 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.388 -2.123 13.692 1.00 70.12 H new ATOM 399 N ALA A 29 23.227 1.267 14.314 1.00 51.31 N ATOM 400 CA ALA A 29 24.035 2.448 14.035 1.00 14.44 C ATOM 401 C ALA A 29 24.358 2.554 12.548 1.00 34.01 C ATOM 402 O ALA A 29 24.830 1.597 11.935 1.00 1.50 O ATOM 403 CB ALA A 29 25.318 2.415 14.854 1.00 51.41 C ATOM 0 H ALA A 29 23.629 0.634 15.006 1.00 51.31 H new ATOM 0 HA ALA A 29 23.458 3.328 14.318 1.00 14.44 H new ATOM 0 HB1 ALA A 29 25.912 3.303 14.636 1.00 51.41 H new ATOM 0 HB2 ALA A 29 25.072 2.395 15.916 1.00 51.41 H new ATOM 0 HB3 ALA A 29 25.890 1.524 14.598 1.00 51.41 H new ATOM 409 N VAL A 30 24.098 3.725 11.973 1.00 53.05 N ATOM 410 CA VAL A 30 24.360 3.956 10.559 1.00 30.12 C ATOM 411 C VAL A 30 24.967 5.336 10.330 1.00 13.12 C ATOM 412 O VAL A 30 24.497 6.331 10.881 1.00 14.35 O ATOM 413 CB VAL A 30 23.074 3.829 9.721 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.386 3.964 8.238 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.379 2.507 10.009 1.00 21.10 C ATOM 0 H VAL A 30 23.706 4.527 12.466 1.00 53.05 H new ATOM 0 HA VAL A 30 25.070 3.192 10.241 1.00 30.12 H new ATOM 0 HB VAL A 30 22.399 4.638 10.001 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.465 3.871 7.663 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.836 4.938 8.048 1.00 20.24 H new ATOM 0 HG13 VAL A 30 24.081 3.179 7.939 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.472 2.434 9.408 1.00 21.10 H new ATOM 0 HG22 VAL A 30 23.047 1.683 9.759 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.119 2.455 11.066 1.00 21.10 H new ATOM 425 N HIS A 31 26.016 5.388 9.514 1.00 64.03 N ATOM 426 CA HIS A 31 26.688 6.646 9.211 1.00 64.42 C ATOM 427 C HIS A 31 26.781 6.864 7.705 1.00 32.44 C ATOM 428 O HIS A 31 27.321 6.029 6.979 1.00 61.22 O ATOM 429 CB HIS A 31 28.086 6.663 9.828 1.00 31.03 C ATOM 430 CG HIS A 31 28.129 6.136 11.230 1.00 51.53 C ATOM 431 ND1 HIS A 31 28.200 6.953 12.339 1.00 72.45 N ATOM 432 CD2 HIS A 31 28.109 4.867 11.700 1.00 62.03 C ATOM 433 CE1 HIS A 31 28.224 6.210 13.430 1.00 20.24 C ATOM 434 NE2 HIS A 31 28.169 4.939 13.070 1.00 41.10 N ATOM 0 H HIS A 31 26.418 4.573 9.051 1.00 64.03 H new ATOM 0 HA HIS A 31 26.099 7.456 9.641 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.756 6.070 9.205 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.465 7.685 9.821 1.00 31.03 H new ATOM 0 HD2 HIS A 31 28.056 3.965 11.108 1.00 62.03 H new ATOM 0 HE1 HIS A 31 28.279 6.578 14.444 1.00 20.24 H new ATOM 0 HE2 HIS A 31 28.171 4.142 13.706 1.00 41.10 H new ATOM 442 N VAL A 32 26.249 7.991 7.240 1.00 24.00 N ATOM 443 CA VAL A 32 26.273 8.319 5.819 1.00 4.03 C ATOM 444 C VAL A 32 27.314 9.391 5.520 1.00 11.32 C ATOM 445 O VAL A 32 27.424 10.382 6.241 1.00 31.44 O ATOM 446 CB VAL A 32 24.894 8.806 5.333 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.859 8.878 3.814 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.793 7.899 5.858 1.00 32.45 C ATOM 0 H VAL A 32 25.796 8.692 7.827 1.00 24.00 H new ATOM 0 HA VAL A 32 26.536 7.405 5.287 1.00 4.03 H new ATOM 0 HB VAL A 32 24.723 9.809 5.725 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.878 9.224 3.489 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.623 9.573 3.465 1.00 52.25 H new ATOM 0 HG13 VAL A 32 25.051 7.889 3.398 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.826 8.258 5.505 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.956 6.883 5.498 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.806 7.904 6.948 1.00 32.45 H new ATOM 458 N PHE A 33 28.076 9.185 4.451 1.00 51.12 N ATOM 459 CA PHE A 33 29.111 10.134 4.056 1.00 51.45 C ATOM 460 C PHE A 33 28.976 10.500 2.580 1.00 55.55 C ATOM 461 O PHE A 33 28.264 9.837 1.828 1.00 10.22 O ATOM 462 CB PHE A 33 30.499 9.549 4.323 1.00 10.20 C ATOM 463 CG PHE A 33 30.883 9.558 5.775 1.00 4.40 C ATOM 464 CD1 PHE A 33 30.318 8.654 6.661 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.810 10.469 6.254 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.670 8.660 7.997 1.00 11.13 C ATOM 467 CE2 PHE A 33 32.166 10.481 7.591 1.00 73.04 C ATOM 468 CZ PHE A 33 31.595 9.574 8.462 1.00 5.30 C ATOM 0 H PHE A 33 27.997 8.370 3.843 1.00 51.12 H new ATOM 0 HA PHE A 33 28.986 11.039 4.651 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.530 8.524 3.953 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.238 10.115 3.756 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.594 7.937 6.303 1.00 34.41 H new ATOM 0 HD2 PHE A 33 32.260 11.179 5.576 1.00 65.40 H new ATOM 0 HE1 PHE A 33 30.222 7.951 8.677 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.888 11.198 7.953 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.872 9.579 9.506 1.00 5.30 H new ATOM 478 N ARG A 34 29.667 11.562 2.176 1.00 64.43 N ATOM 479 CA ARG A 34 29.624 12.019 0.792 1.00 65.22 C ATOM 480 C ARG A 34 31.034 12.228 0.246 1.00 15.34 C ATOM 481 O ARG A 34 31.941 12.626 0.975 1.00 10.42 O ATOM 482 CB ARG A 34 28.825 13.318 0.686 1.00 44.03 C ATOM 483 CG ARG A 34 28.621 13.793 -0.744 1.00 42.14 C ATOM 484 CD ARG A 34 29.641 14.852 -1.130 1.00 65.22 C ATOM 485 NE ARG A 34 29.327 15.471 -2.415 1.00 22.33 N ATOM 486 CZ ARG A 34 29.447 14.844 -3.581 1.00 13.23 C ATOM 487 NH1 ARG A 34 29.871 13.589 -3.623 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.142 15.475 -4.708 1.00 1.52 N ATOM 0 H ARG A 34 30.262 12.121 2.787 1.00 64.43 H new ATOM 0 HA ARG A 34 29.132 11.250 0.196 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.851 13.175 1.155 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.338 14.097 1.249 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.700 12.945 -1.425 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.615 14.198 -0.854 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.677 15.620 -0.357 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.632 14.401 -1.177 1.00 65.22 H new ATOM 0 HE ARG A 34 28.998 16.436 -2.418 1.00 22.33 H new ATOM 0 HH11 ARG A 34 30.106 13.101 -2.759 1.00 32.51 H new ATOM 0 HH12 ARG A 34 29.962 13.111 -4.520 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.816 16.441 -4.679 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.234 14.994 -5.603 1.00 1.52 H new ATOM 502 N LYS A 35 31.208 11.959 -1.044 1.00 52.41 N ATOM 503 CA LYS A 35 32.506 12.119 -1.690 1.00 13.50 C ATOM 504 C LYS A 35 32.899 13.592 -1.765 1.00 22.12 C ATOM 505 O LYS A 35 32.319 14.360 -2.533 1.00 23.40 O ATOM 506 CB LYS A 35 32.476 11.517 -3.097 1.00 52.13 C ATOM 507 CG LYS A 35 33.562 12.054 -4.012 1.00 14.31 C ATOM 508 CD LYS A 35 34.948 11.727 -3.483 1.00 53.52 C ATOM 509 CE LYS A 35 35.249 10.240 -3.593 1.00 23.31 C ATOM 510 NZ LYS A 35 36.108 9.932 -4.771 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.467 11.629 -1.662 1.00 52.41 H new ATOM 0 HA LYS A 35 33.249 11.592 -1.091 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.578 10.434 -3.022 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.503 11.715 -3.547 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.442 11.629 -5.009 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.455 13.134 -4.111 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.694 12.293 -4.041 1.00 53.52 H new ATOM 0 HD3 LYS A 35 35.024 12.039 -2.441 1.00 53.52 H new ATOM 0 HE2 LYS A 35 35.746 9.902 -2.683 1.00 23.31 H new ATOM 0 HE3 LYS A 35 34.314 9.685 -3.671 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 36.290 8.909 -4.810 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.624 10.231 -5.641 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 37.011 10.441 -4.685 1.00 21.52 H new ATOM 524 N ALA A 36 33.885 13.977 -0.963 1.00 11.43 N ATOM 525 CA ALA A 36 34.357 15.357 -0.942 1.00 5.53 C ATOM 526 C ALA A 36 35.116 15.697 -2.220 1.00 3.33 C ATOM 527 O ALA A 36 35.648 14.813 -2.892 1.00 43.41 O ATOM 528 CB ALA A 36 35.238 15.595 0.276 1.00 65.22 C ATOM 0 H ALA A 36 34.373 13.354 -0.319 1.00 11.43 H new ATOM 0 HA ALA A 36 33.487 16.011 -0.882 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.583 16.629 0.279 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.665 15.401 1.183 1.00 65.22 H new ATOM 0 HB3 ALA A 36 36.097 14.926 0.240 1.00 65.22 H new ATOM 534 N ALA A 37 35.162 16.983 -2.551 1.00 31.41 N ATOM 535 CA ALA A 37 35.857 17.440 -3.748 1.00 53.45 C ATOM 536 C ALA A 37 37.336 17.070 -3.699 1.00 42.42 C ATOM 537 O ALA A 37 38.009 17.028 -4.729 1.00 11.14 O ATOM 538 CB ALA A 37 35.693 18.944 -3.912 1.00 43.21 C ATOM 0 H ALA A 37 34.726 17.727 -2.007 1.00 31.41 H new ATOM 0 HA ALA A 37 35.412 16.941 -4.609 1.00 53.45 H new ATOM 0 HB1 ALA A 37 36.217 19.271 -4.810 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.634 19.187 -4.001 1.00 43.21 H new ATOM 0 HB3 ALA A 37 36.110 19.452 -3.043 1.00 43.21 H new ATOM 544 N ASP A 38 37.835 16.805 -2.497 1.00 21.45 N ATOM 545 CA ASP A 38 39.234 16.439 -2.314 1.00 71.21 C ATOM 546 C ASP A 38 39.402 14.922 -2.304 1.00 42.43 C ATOM 547 O ASP A 38 40.432 14.405 -1.872 1.00 64.32 O ATOM 548 CB ASP A 38 39.774 17.033 -1.011 1.00 40.43 C ATOM 549 CG ASP A 38 40.392 18.402 -1.212 1.00 61.52 C ATOM 550 OD1 ASP A 38 41.050 18.609 -2.254 1.00 35.52 O ATOM 551 OD2 ASP A 38 40.219 19.267 -0.329 1.00 52.21 O1- ATOM 0 H ASP A 38 37.291 16.837 -1.635 1.00 21.45 H new ATOM 0 HA ASP A 38 39.802 16.844 -3.151 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.964 17.106 -0.285 1.00 40.43 H new ATOM 0 HB3 ASP A 38 40.520 16.359 -0.589 1.00 40.43 H new ATOM 556 N ASP A 39 38.383 14.217 -2.780 1.00 23.33 N ATOM 557 CA ASP A 39 38.418 12.759 -2.826 1.00 64.41 C ATOM 558 C ASP A 39 38.468 12.173 -1.418 1.00 62.43 C ATOM 559 O ASP A 39 39.193 11.210 -1.160 1.00 42.41 O ATOM 560 CB ASP A 39 39.625 12.281 -3.635 1.00 53.30 C ATOM 561 CG ASP A 39 39.932 13.192 -4.807 1.00 11.54 C ATOM 562 OD1 ASP A 39 39.016 13.446 -5.617 1.00 1.24 O ATOM 563 OD2 ASP A 39 41.090 13.649 -4.916 1.00 73.02 O1- ATOM 0 H ASP A 39 37.522 14.630 -3.140 1.00 23.33 H new ATOM 0 HA ASP A 39 37.506 12.413 -3.312 1.00 64.41 H new ATOM 0 HB2 ASP A 39 40.497 12.225 -2.983 1.00 53.30 H new ATOM 0 HB3 ASP A 39 39.437 11.272 -4.002 1.00 53.30 H new ATOM 568 N THR A 40 37.695 12.759 -0.510 1.00 24.15 N ATOM 569 CA THR A 40 37.653 12.296 0.871 1.00 43.05 C ATOM 570 C THR A 40 36.233 11.922 1.283 1.00 61.51 C ATOM 571 O THR A 40 35.301 12.020 0.487 1.00 34.22 O ATOM 572 CB THR A 40 38.191 13.368 1.839 1.00 44.50 C ATOM 573 OG1 THR A 40 37.210 14.395 2.026 1.00 41.21 O ATOM 574 CG2 THR A 40 39.478 13.978 1.309 1.00 21.33 C ATOM 0 H THR A 40 37.089 13.556 -0.706 1.00 24.15 H new ATOM 0 HA THR A 40 38.289 11.413 0.928 1.00 43.05 H new ATOM 0 HB THR A 40 38.402 12.890 2.796 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.558 15.072 2.644 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.839 14.732 2.009 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.231 13.198 1.196 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.289 14.443 0.341 1.00 21.33 H new ATOM 582 N TRP A 41 36.079 11.494 2.531 1.00 45.03 N ATOM 583 CA TRP A 41 34.771 11.106 3.048 1.00 2.42 C ATOM 584 C TRP A 41 34.241 12.148 4.027 1.00 70.44 C ATOM 585 O TRP A 41 34.728 12.260 5.151 1.00 32.21 O ATOM 586 CB TRP A 41 34.856 9.741 3.734 1.00 70.13 C ATOM 587 CG TRP A 41 35.030 8.604 2.774 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.836 8.576 1.673 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.379 7.330 2.829 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.727 7.362 1.039 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.840 6.579 1.729 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.454 6.749 3.699 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.405 5.279 1.480 1.00 60.44 C ATOM 594 CZ3 TRP A 41 33.022 5.460 3.451 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.499 4.736 2.349 1.00 75.05 C ATOM 0 H TRP A 41 36.842 11.407 3.203 1.00 45.03 H new ATOM 0 HA TRP A 41 34.080 11.041 2.207 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.691 9.746 4.435 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.950 9.579 4.318 1.00 70.13 H new ATOM 0 HD1 TRP A 41 36.467 9.390 1.348 1.00 33.11 H new ATOM 0 HE1 TRP A 41 36.226 7.088 0.192 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.082 7.298 4.552 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.770 4.720 0.631 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.305 5.003 4.117 1.00 61.10 H new ATOM 0 HH2 TRP A 41 33.144 3.730 2.183 1.00 75.05 H new ATOM 606 N GLU A 42 33.242 12.909 3.590 1.00 73.10 N ATOM 607 CA GLU A 42 32.648 13.943 4.430 1.00 54.20 C ATOM 608 C GLU A 42 31.375 13.434 5.101 1.00 4.34 C ATOM 609 O GLU A 42 30.662 12.582 4.572 1.00 73.22 O ATOM 610 CB GLU A 42 32.335 15.189 3.599 1.00 31.41 C ATOM 611 CG GLU A 42 33.569 15.989 3.215 1.00 53.13 C ATOM 612 CD GLU A 42 33.868 17.106 4.196 1.00 51.31 C ATOM 613 OE1 GLU A 42 33.123 18.109 4.198 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.847 16.977 4.962 1.00 64.44 O ATOM 0 H GLU A 42 32.828 12.829 2.661 1.00 73.10 H new ATOM 0 HA GLU A 42 33.369 14.203 5.205 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.810 14.888 2.692 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.657 15.830 4.162 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.428 15.320 3.159 1.00 53.13 H new ATOM 0 HG3 GLU A 42 33.428 16.412 2.220 1.00 53.13 H new ATOM 621 N PRO A 43 31.083 13.968 6.296 1.00 54.34 N ATOM 622 CA PRO A 43 29.896 13.583 7.067 1.00 24.43 C ATOM 623 C PRO A 43 28.603 14.073 6.423 1.00 42.40 C ATOM 624 O PRO A 43 28.378 15.276 6.297 1.00 63.02 O ATOM 625 CB PRO A 43 30.113 14.269 8.418 1.00 15.11 C ATOM 626 CG PRO A 43 30.998 15.429 8.117 1.00 23.24 C ATOM 627 CD PRO A 43 31.889 14.989 6.988 1.00 63.44 C ATOM 0 HA PRO A 43 29.788 12.501 7.135 1.00 24.43 H new ATOM 0 HB2 PRO A 43 29.168 14.595 8.853 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.578 13.592 9.135 1.00 15.11 H new ATOM 0 HG2 PRO A 43 30.412 16.303 7.834 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.586 15.709 8.991 1.00 23.24 H new ATOM 0 HD2 PRO A 43 32.140 15.819 6.327 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.829 14.578 7.355 1.00 63.44 H new ATOM 635 N PHE A 44 27.758 13.132 6.016 1.00 23.33 N ATOM 636 CA PHE A 44 26.488 13.467 5.384 1.00 30.03 C ATOM 637 C PHE A 44 25.334 13.327 6.373 1.00 11.52 C ATOM 638 O PHE A 44 24.429 14.160 6.411 1.00 21.02 O ATOM 639 CB PHE A 44 26.245 12.569 4.170 1.00 54.34 C ATOM 640 CG PHE A 44 25.003 12.923 3.401 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.757 12.505 3.842 1.00 23.01 C ATOM 642 CD2 PHE A 44 25.082 13.673 2.239 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.614 12.828 3.136 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.942 14.000 1.529 1.00 24.11 C ATOM 645 CZ PHE A 44 22.706 13.577 1.979 1.00 75.12 C ATOM 0 H PHE A 44 27.930 12.131 6.113 1.00 23.33 H new ATOM 0 HA PHE A 44 26.538 14.505 5.055 1.00 30.03 H new ATOM 0 HB2 PHE A 44 27.105 12.632 3.504 1.00 54.34 H new ATOM 0 HB3 PHE A 44 26.174 11.533 4.503 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.679 11.921 4.747 1.00 23.01 H new ATOM 0 HD2 PHE A 44 26.046 14.006 1.884 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.649 12.495 3.489 1.00 44.13 H new ATOM 0 HE2 PHE A 44 24.017 14.585 0.624 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.813 13.832 1.427 1.00 75.12 H new ATOM 655 N ALA A 45 25.375 12.266 7.173 1.00 71.23 N ATOM 656 CA ALA A 45 24.335 12.016 8.163 1.00 64.43 C ATOM 657 C ALA A 45 24.687 10.818 9.039 1.00 24.31 C ATOM 658 O ALA A 45 25.697 10.151 8.817 1.00 5.31 O ATOM 659 CB ALA A 45 22.994 11.795 7.478 1.00 55.21 C ATOM 0 H ALA A 45 26.117 11.566 7.155 1.00 71.23 H new ATOM 0 HA ALA A 45 24.262 12.894 8.805 1.00 64.43 H new ATOM 0 HB1 ALA A 45 22.227 11.610 8.230 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.730 12.681 6.901 1.00 55.21 H new ATOM 0 HB3 ALA A 45 23.063 10.936 6.811 1.00 55.21 H new ATOM 665 N SER A 46 23.848 10.552 10.035 1.00 61.42 N ATOM 666 CA SER A 46 24.074 9.437 10.947 1.00 20.23 C ATOM 667 C SER A 46 22.864 9.221 11.851 1.00 55.20 C ATOM 668 O SER A 46 22.176 10.170 12.224 1.00 65.33 O ATOM 669 CB SER A 46 25.320 9.690 11.797 1.00 30.24 C ATOM 670 OG SER A 46 25.198 9.088 13.074 1.00 45.23 O ATOM 0 H SER A 46 23.006 11.093 10.231 1.00 61.42 H new ATOM 0 HA SER A 46 24.226 8.537 10.351 1.00 20.23 H new ATOM 0 HB2 SER A 46 26.198 9.294 11.287 1.00 30.24 H new ATOM 0 HB3 SER A 46 25.475 10.763 11.911 1.00 30.24 H new ATOM 0 HG SER A 46 26.008 9.263 13.597 1.00 45.23 H new ATOM 676 N GLY A 47 22.610 7.963 12.199 1.00 22.52 N ATOM 677 CA GLY A 47 21.483 7.643 13.057 1.00 13.24 C ATOM 678 C GLY A 47 21.333 6.153 13.286 1.00 23.24 C ATOM 679 O GLY A 47 22.309 5.404 13.215 1.00 53.34 O ATOM 0 H GLY A 47 23.164 7.160 11.902 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.608 8.144 14.017 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.568 8.033 12.610 1.00 13.24 H new ATOM 683 N LYS A 48 20.109 5.718 13.563 1.00 71.53 N ATOM 684 CA LYS A 48 19.834 4.306 13.804 1.00 65.33 C ATOM 685 C LYS A 48 18.583 3.860 13.054 1.00 1.25 C ATOM 686 O LYS A 48 17.555 4.537 13.079 1.00 42.23 O ATOM 687 CB LYS A 48 19.661 4.048 15.303 1.00 75.34 C ATOM 688 CG LYS A 48 20.942 3.619 15.998 1.00 22.40 C ATOM 689 CD LYS A 48 20.715 3.368 17.480 1.00 43.34 C ATOM 690 CE LYS A 48 20.371 4.653 18.217 1.00 30.21 C ATOM 691 NZ LYS A 48 21.331 4.933 19.320 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.290 6.323 13.626 1.00 71.53 H new ATOM 0 HA LYS A 48 20.682 3.728 13.437 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.286 4.954 15.778 1.00 75.34 H new ATOM 0 HB3 LYS A 48 18.904 3.277 15.445 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.326 2.713 15.529 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.702 4.390 15.871 1.00 22.40 H new ATOM 0 HD2 LYS A 48 19.908 2.647 17.608 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.610 2.926 17.916 1.00 43.34 H new ATOM 0 HE2 LYS A 48 20.372 5.486 17.514 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.362 4.580 18.623 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 21.063 5.817 19.798 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 21.312 4.150 20.004 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 22.290 5.028 18.930 1.00 35.43 H new ATOM 705 N THR A 49 18.678 2.714 12.386 1.00 51.42 N ATOM 706 CA THR A 49 17.554 2.177 11.628 1.00 70.12 C ATOM 707 C THR A 49 16.351 1.929 12.531 1.00 10.11 C ATOM 708 O THR A 49 16.441 2.059 13.751 1.00 53.44 O ATOM 709 CB THR A 49 17.932 0.862 10.921 1.00 52.42 C ATOM 710 OG1 THR A 49 18.119 -0.178 11.887 1.00 74.22 O ATOM 711 CG2 THR A 49 19.201 1.033 10.100 1.00 34.12 C ATOM 0 H THR A 49 19.521 2.140 12.355 1.00 51.42 H new ATOM 0 HA THR A 49 17.293 2.922 10.877 1.00 70.12 H new ATOM 0 HB THR A 49 17.118 0.591 10.249 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.348 -0.782 11.870 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.447 0.091 9.610 1.00 34.12 H new ATOM 0 HG22 THR A 49 19.045 1.804 9.346 1.00 34.12 H new ATOM 0 HG23 THR A 49 20.021 1.327 10.755 1.00 34.12 H new ATOM 719 N SER A 50 15.225 1.569 11.922 1.00 34.50 N ATOM 720 CA SER A 50 14.003 1.305 12.671 1.00 20.42 C ATOM 721 C SER A 50 13.429 -0.062 12.310 1.00 73.51 C ATOM 722 O SER A 50 13.927 -0.738 11.410 1.00 35.41 O ATOM 723 CB SER A 50 12.965 2.395 12.395 1.00 43.22 C ATOM 724 OG SER A 50 11.920 2.360 13.353 1.00 64.44 O ATOM 0 H SER A 50 15.135 1.454 10.913 1.00 34.50 H new ATOM 0 HA SER A 50 14.249 1.308 13.733 1.00 20.42 H new ATOM 0 HB2 SER A 50 13.446 3.373 12.413 1.00 43.22 H new ATOM 0 HB3 SER A 50 12.551 2.262 11.396 1.00 43.22 H new ATOM 0 HG SER A 50 11.271 3.067 13.155 1.00 64.44 H new ATOM 730 N GLU A 51 12.378 -0.462 13.019 1.00 30.32 N ATOM 731 CA GLU A 51 11.736 -1.747 12.775 1.00 23.23 C ATOM 732 C GLU A 51 11.030 -1.756 11.421 1.00 40.22 C ATOM 733 O GLU A 51 10.581 -2.799 10.949 1.00 52.42 O ATOM 734 CB GLU A 51 10.734 -2.063 13.887 1.00 74.31 C ATOM 735 CG GLU A 51 9.797 -0.910 14.207 1.00 31.32 C ATOM 736 CD GLU A 51 8.336 -1.288 14.064 1.00 73.14 C ATOM 737 OE1 GLU A 51 7.878 -1.458 12.915 1.00 65.12 O1- ATOM 738 OE2 GLU A 51 7.651 -1.414 15.100 1.00 52.03 O ATOM 0 H GLU A 51 11.953 0.086 13.767 1.00 30.32 H new ATOM 0 HA GLU A 51 12.511 -2.514 12.766 1.00 23.23 H new ATOM 0 HB2 GLU A 51 10.142 -2.931 13.596 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.280 -2.338 14.789 1.00 74.31 H new ATOM 0 HG2 GLU A 51 9.982 -0.569 15.225 1.00 31.32 H new ATOM 0 HG3 GLU A 51 10.018 -0.073 13.545 1.00 31.32 H new ATOM 745 N SER A 52 10.937 -0.582 10.803 1.00 1.54 N ATOM 746 CA SER A 52 10.282 -0.452 9.506 1.00 44.12 C ATOM 747 C SER A 52 11.313 -0.354 8.385 1.00 3.03 C ATOM 748 O SER A 52 10.969 -0.099 7.232 1.00 54.51 O ATOM 749 CB SER A 52 9.375 0.779 9.491 1.00 55.52 C ATOM 750 OG SER A 52 8.730 0.923 8.237 1.00 34.12 O ATOM 0 H SER A 52 11.306 0.291 11.179 1.00 1.54 H new ATOM 0 HA SER A 52 9.675 -1.342 9.341 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.628 0.693 10.280 1.00 55.52 H new ATOM 0 HB3 SER A 52 9.964 1.671 9.705 1.00 55.52 H new ATOM 0 HG SER A 52 9.326 0.609 7.525 1.00 34.12 H new ATOM 756 N GLY A 53 12.579 -0.556 8.734 1.00 14.45 N ATOM 757 CA GLY A 53 13.641 -0.485 7.747 1.00 40.03 C ATOM 758 C GLY A 53 13.876 0.927 7.250 1.00 14.23 C ATOM 759 O GLY A 53 14.476 1.127 6.194 1.00 21.34 O ATOM 0 H GLY A 53 12.889 -0.768 9.682 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.563 -0.872 8.181 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.392 -1.127 6.903 1.00 40.03 H new ATOM 763 N GLU A 54 13.403 1.908 8.011 1.00 31.13 N ATOM 764 CA GLU A 54 13.564 3.309 7.639 1.00 52.11 C ATOM 765 C GLU A 54 14.102 4.124 8.812 1.00 0.31 C ATOM 766 O GLU A 54 13.755 3.876 9.967 1.00 51.32 O ATOM 767 CB GLU A 54 12.230 3.891 7.169 1.00 40.52 C ATOM 768 CG GLU A 54 11.067 3.574 8.094 1.00 10.03 C ATOM 769 CD GLU A 54 9.893 4.514 7.899 1.00 73.01 C ATOM 770 OE1 GLU A 54 9.308 4.509 6.795 1.00 75.13 O1- ATOM 771 OE2 GLU A 54 9.559 5.252 8.848 1.00 31.31 O ATOM 0 H GLU A 54 12.905 1.759 8.889 1.00 31.13 H new ATOM 0 HA GLU A 54 14.283 3.362 6.822 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.327 4.973 7.079 1.00 40.52 H new ATOM 0 HB3 GLU A 54 12.006 3.507 6.174 1.00 40.52 H new ATOM 0 HG2 GLU A 54 10.739 2.549 7.921 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.405 3.631 9.129 1.00 10.03 H new ATOM 778 N LEU A 55 14.953 5.098 8.505 1.00 5.54 N ATOM 779 CA LEU A 55 15.541 5.951 9.532 1.00 34.15 C ATOM 780 C LEU A 55 14.709 7.214 9.733 1.00 70.31 C ATOM 781 O LEU A 55 13.893 7.573 8.884 1.00 34.41 O ATOM 782 CB LEU A 55 16.975 6.325 9.153 1.00 4.21 C ATOM 783 CG LEU A 55 18.032 6.116 10.237 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.320 5.579 9.630 1.00 50.42 C ATOM 785 CD2 LEU A 55 18.294 7.414 10.986 1.00 14.12 C ATOM 0 H LEU A 55 15.251 5.316 7.554 1.00 5.54 H new ATOM 0 HA LEU A 55 15.553 5.394 10.469 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.262 5.743 8.277 1.00 4.21 H new ATOM 0 HB3 LEU A 55 16.989 7.374 8.857 1.00 4.21 H new ATOM 0 HG LEU A 55 17.655 5.381 10.948 1.00 2.23 H new ATOM 0 HD11 LEU A 55 20.061 5.436 10.416 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.122 4.625 9.141 1.00 50.42 H new ATOM 0 HD13 LEU A 55 19.701 6.290 8.897 1.00 50.42 H new ATOM 0 HD21 LEU A 55 19.049 7.245 11.754 1.00 14.12 H new ATOM 0 HD22 LEU A 55 18.649 8.172 10.288 1.00 14.12 H new ATOM 0 HD23 LEU A 55 17.371 7.757 11.454 1.00 14.12 H new ATOM 797 N HIS A 56 14.924 7.885 10.859 1.00 5.15 N ATOM 798 CA HIS A 56 14.197 9.111 11.170 1.00 13.42 C ATOM 799 C HIS A 56 14.280 10.100 10.012 1.00 51.22 C ATOM 800 O HIS A 56 13.298 10.327 9.305 1.00 34.12 O ATOM 801 CB HIS A 56 14.752 9.750 12.443 1.00 32.12 C ATOM 802 CG HIS A 56 14.682 8.856 13.643 1.00 53.30 C ATOM 803 ND1 HIS A 56 13.582 8.080 13.938 1.00 23.11 N ATOM 804 CD2 HIS A 56 15.584 8.618 14.623 1.00 72.43 C ATOM 805 CE1 HIS A 56 13.810 7.402 15.049 1.00 1.32 C ATOM 806 NE2 HIS A 56 15.018 7.711 15.485 1.00 3.25 N ATOM 0 H HIS A 56 15.596 7.601 11.572 1.00 5.15 H new ATOM 0 HA HIS A 56 13.150 8.853 11.330 1.00 13.42 H new ATOM 0 HB2 HIS A 56 15.790 10.036 12.273 1.00 32.12 H new ATOM 0 HB3 HIS A 56 14.199 10.666 12.650 1.00 32.12 H new ATOM 0 HD2 HIS A 56 16.566 9.059 14.711 1.00 72.43 H new ATOM 0 HE1 HIS A 56 13.125 6.713 15.520 1.00 1.32 H new ATOM 0 HE2 HIS A 56 15.459 7.337 16.325 1.00 3.25 H new ATOM 814 N GLY A 57 15.458 10.687 9.823 1.00 61.41 N ATOM 815 CA GLY A 57 15.646 11.645 8.750 1.00 74.22 C ATOM 816 C GLY A 57 17.106 11.986 8.527 1.00 32.15 C ATOM 817 O GLY A 57 17.638 12.909 9.146 1.00 74.24 O ATOM 0 H GLY A 57 16.285 10.516 10.394 1.00 61.41 H new ATOM 0 HA2 GLY A 57 15.225 11.241 7.829 1.00 74.22 H new ATOM 0 HA3 GLY A 57 15.094 12.556 8.980 1.00 74.22 H new ATOM 821 N LEU A 58 17.757 11.241 7.642 1.00 71.24 N ATOM 822 CA LEU A 58 19.166 11.468 7.339 1.00 13.14 C ATOM 823 C LEU A 58 19.324 12.253 6.041 1.00 72.13 C ATOM 824 O LEU A 58 20.428 12.377 5.508 1.00 54.40 O ATOM 825 CB LEU A 58 19.907 10.133 7.234 1.00 52.25 C ATOM 826 CG LEU A 58 19.974 9.300 8.514 1.00 45.12 C ATOM 827 CD1 LEU A 58 20.854 8.077 8.310 1.00 71.41 C ATOM 828 CD2 LEU A 58 20.491 10.143 9.671 1.00 33.14 C ATOM 0 H LEU A 58 17.332 10.474 7.121 1.00 71.24 H new ATOM 0 HA LEU A 58 19.597 12.053 8.151 1.00 13.14 H new ATOM 0 HB2 LEU A 58 19.428 9.534 6.459 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.925 10.331 6.899 1.00 52.25 H new ATOM 0 HG LEU A 58 18.967 8.961 8.757 1.00 45.12 H new ATOM 0 HD11 LEU A 58 20.890 7.496 9.232 1.00 71.41 H new ATOM 0 HD12 LEU A 58 20.443 7.462 7.510 1.00 71.41 H new ATOM 0 HD13 LEU A 58 21.862 8.394 8.042 1.00 71.41 H new ATOM 0 HD21 LEU A 58 20.532 9.535 10.574 1.00 33.14 H new ATOM 0 HD22 LEU A 58 21.490 10.511 9.435 1.00 33.14 H new ATOM 0 HD23 LEU A 58 19.822 10.988 9.833 1.00 33.14 H new ATOM 840 N THR A 59 18.215 12.786 5.539 1.00 63.43 N ATOM 841 CA THR A 59 18.230 13.561 4.305 1.00 22.11 C ATOM 842 C THR A 59 18.404 15.048 4.592 1.00 64.24 C ATOM 843 O THR A 59 17.845 15.576 5.554 1.00 72.41 O ATOM 844 CB THR A 59 16.936 13.355 3.495 1.00 73.42 C ATOM 845 OG1 THR A 59 15.833 13.970 4.169 1.00 35.32 O ATOM 846 CG2 THR A 59 16.653 11.874 3.297 1.00 74.22 C ATOM 0 H THR A 59 17.294 12.695 5.968 1.00 63.43 H new ATOM 0 HA THR A 59 19.077 13.204 3.719 1.00 22.11 H new ATOM 0 HB THR A 59 17.068 13.818 2.517 1.00 73.42 H new ATOM 0 HG1 THR A 59 15.033 13.414 4.062 1.00 35.32 H new ATOM 0 HG21 THR A 59 15.735 11.753 2.723 1.00 74.22 H new ATOM 0 HG22 THR A 59 17.481 11.414 2.758 1.00 74.22 H new ATOM 0 HG23 THR A 59 16.540 11.392 4.268 1.00 74.22 H new ATOM 854 N THR A 60 19.184 15.721 3.751 1.00 12.24 N ATOM 855 CA THR A 60 19.432 17.148 3.915 1.00 43.44 C ATOM 856 C THR A 60 19.728 17.812 2.574 1.00 34.10 C ATOM 857 O THR A 60 19.696 17.163 1.530 1.00 22.23 O ATOM 858 CB THR A 60 20.610 17.407 4.873 1.00 21.12 C ATOM 859 OG1 THR A 60 21.753 16.650 4.461 1.00 74.34 O ATOM 860 CG2 THR A 60 20.237 17.035 6.301 1.00 41.12 C ATOM 0 H THR A 60 19.655 15.300 2.950 1.00 12.24 H new ATOM 0 HA THR A 60 18.526 17.580 4.340 1.00 43.44 H new ATOM 0 HB THR A 60 20.849 18.470 4.841 1.00 21.12 H new ATOM 0 HG1 THR A 60 22.498 16.822 5.074 1.00 74.34 H new ATOM 0 HG21 THR A 60 21.084 17.226 6.960 1.00 41.12 H new ATOM 0 HG22 THR A 60 19.385 17.634 6.622 1.00 41.12 H new ATOM 0 HG23 THR A 60 19.975 15.978 6.345 1.00 41.12 H new ATOM 868 N GLU A 61 20.014 19.110 2.612 1.00 14.50 N ATOM 869 CA GLU A 61 20.315 19.861 1.400 1.00 24.54 C ATOM 870 C GLU A 61 21.518 19.264 0.675 1.00 54.52 C ATOM 871 O GLU A 61 21.694 19.466 -0.527 1.00 63.11 O ATOM 872 CB GLU A 61 20.586 21.329 1.736 1.00 35.23 C ATOM 873 CG GLU A 61 21.674 21.523 2.779 1.00 25.21 C ATOM 874 CD GLU A 61 21.918 22.984 3.102 1.00 70.35 C ATOM 875 OE1 GLU A 61 21.283 23.847 2.460 1.00 33.30 O ATOM 876 OE2 GLU A 61 22.743 23.265 3.997 1.00 13.54 O1- ATOM 0 H GLU A 61 20.043 19.662 3.469 1.00 14.50 H new ATOM 0 HA GLU A 61 19.448 19.801 0.742 1.00 24.54 H new ATOM 0 HB2 GLU A 61 20.870 21.855 0.825 1.00 35.23 H new ATOM 0 HB3 GLU A 61 19.664 21.787 2.095 1.00 35.23 H new ATOM 0 HG2 GLU A 61 21.396 20.995 3.691 1.00 25.21 H new ATOM 0 HG3 GLU A 61 22.600 21.074 2.420 1.00 25.21 H new ATOM 883 N GLU A 62 22.342 18.526 1.413 1.00 72.32 N ATOM 884 CA GLU A 62 23.528 17.902 0.840 1.00 31.42 C ATOM 885 C GLU A 62 23.141 16.796 -0.137 1.00 1.45 C ATOM 886 O GLU A 62 23.976 16.304 -0.896 1.00 71.41 O ATOM 887 CB GLU A 62 24.416 17.331 1.948 1.00 1.21 C ATOM 888 CG GLU A 62 25.289 18.372 2.625 1.00 10.03 C ATOM 889 CD GLU A 62 26.066 17.808 3.798 1.00 2.43 C ATOM 890 OE1 GLU A 62 25.506 16.970 4.535 1.00 32.10 O1- ATOM 891 OE2 GLU A 62 27.237 18.206 3.981 1.00 75.13 O ATOM 0 H GLU A 62 22.210 18.346 2.408 1.00 72.32 H new ATOM 0 HA GLU A 62 24.084 18.666 0.296 1.00 31.42 H new ATOM 0 HB2 GLU A 62 23.785 16.855 2.698 1.00 1.21 H new ATOM 0 HB3 GLU A 62 25.053 16.553 1.527 1.00 1.21 H new ATOM 0 HG2 GLU A 62 25.987 18.785 1.897 1.00 10.03 H new ATOM 0 HG3 GLU A 62 24.664 19.196 2.970 1.00 10.03 H new ATOM 898 N GLU A 63 21.869 16.409 -0.113 1.00 1.55 N ATOM 899 CA GLU A 63 21.372 15.361 -0.996 1.00 2.15 C ATOM 900 C GLU A 63 21.421 15.809 -2.454 1.00 33.05 C ATOM 901 O GLU A 63 21.467 14.985 -3.367 1.00 33.04 O ATOM 902 CB GLU A 63 19.940 14.979 -0.616 1.00 4.33 C ATOM 903 CG GLU A 63 18.904 16.008 -1.034 1.00 54.34 C ATOM 904 CD GLU A 63 17.649 15.952 -0.187 1.00 22.40 C ATOM 905 OE1 GLU A 63 17.734 15.495 0.972 1.00 61.14 O ATOM 906 OE2 GLU A 63 16.579 16.365 -0.682 1.00 12.13 O1- ATOM 0 H GLU A 63 21.164 16.806 0.509 1.00 1.55 H new ATOM 0 HA GLU A 63 22.016 14.489 -0.880 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.694 14.021 -1.075 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.885 14.838 0.463 1.00 4.33 H new ATOM 0 HG2 GLU A 63 19.340 17.005 -0.965 1.00 54.34 H new ATOM 0 HG3 GLU A 63 18.639 15.847 -2.079 1.00 54.34 H new ATOM 913 N PHE A 64 21.410 17.121 -2.664 1.00 14.24 N ATOM 914 CA PHE A 64 21.451 17.680 -4.010 1.00 42.31 C ATOM 915 C PHE A 64 22.865 17.619 -4.581 1.00 11.50 C ATOM 916 O PHE A 64 23.466 18.649 -4.891 1.00 32.43 O ATOM 917 CB PHE A 64 20.955 19.127 -4.000 1.00 12.40 C ATOM 918 CG PHE A 64 19.460 19.248 -4.082 1.00 41.53 C ATOM 919 CD1 PHE A 64 18.791 18.952 -5.259 1.00 43.22 C ATOM 920 CD2 PHE A 64 18.723 19.657 -2.982 1.00 45.43 C ATOM 921 CE1 PHE A 64 17.416 19.063 -5.338 1.00 2.15 C ATOM 922 CE2 PHE A 64 17.348 19.770 -3.055 1.00 42.01 C ATOM 923 CZ PHE A 64 16.693 19.471 -4.234 1.00 13.33 C ATOM 0 H PHE A 64 21.373 17.817 -1.919 1.00 14.24 H new ATOM 0 HA PHE A 64 20.795 17.083 -4.644 1.00 42.31 H new ATOM 0 HB2 PHE A 64 21.302 19.615 -3.089 1.00 12.40 H new ATOM 0 HB3 PHE A 64 21.401 19.662 -4.838 1.00 12.40 H new ATOM 0 HD1 PHE A 64 19.351 18.631 -6.125 1.00 43.22 H new ATOM 0 HD2 PHE A 64 19.229 19.890 -2.057 1.00 45.43 H new ATOM 0 HE1 PHE A 64 16.907 18.831 -6.262 1.00 2.15 H new ATOM 0 HE2 PHE A 64 16.786 20.092 -2.191 1.00 42.01 H new ATOM 0 HZ PHE A 64 15.618 19.556 -4.292 1.00 13.33 H new ATOM 933 N VAL A 65 23.392 16.406 -4.715 1.00 14.35 N ATOM 934 CA VAL A 65 24.734 16.210 -5.249 1.00 53.13 C ATOM 935 C VAL A 65 24.736 15.167 -6.361 1.00 62.20 C ATOM 936 O VAL A 65 23.687 14.649 -6.742 1.00 61.02 O ATOM 937 CB VAL A 65 25.717 15.773 -4.147 1.00 52.31 C ATOM 938 CG1 VAL A 65 25.926 16.894 -3.142 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.217 14.513 -3.458 1.00 75.10 C ATOM 0 H VAL A 65 22.909 15.544 -4.461 1.00 14.35 H new ATOM 0 HA VAL A 65 25.057 17.169 -5.655 1.00 53.13 H new ATOM 0 HB VAL A 65 26.679 15.550 -4.609 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.624 16.566 -2.371 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.332 17.768 -3.651 1.00 53.55 H new ATOM 0 HG13 VAL A 65 24.972 17.153 -2.682 1.00 53.55 H new ATOM 0 HG21 VAL A 65 25.923 14.218 -2.682 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.243 14.706 -3.008 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.125 13.710 -4.190 1.00 75.10 H new ATOM 949 N GLU A 66 25.924 14.864 -6.877 1.00 2.51 N ATOM 950 CA GLU A 66 26.062 13.882 -7.948 1.00 74.43 C ATOM 951 C GLU A 66 25.326 12.592 -7.599 1.00 23.21 C ATOM 952 O GLU A 66 24.680 11.984 -8.452 1.00 2.04 O ATOM 953 CB GLU A 66 27.541 13.586 -8.209 1.00 20.43 C ATOM 954 CG GLU A 66 28.347 14.811 -8.604 1.00 34.14 C ATOM 955 CD GLU A 66 29.597 14.460 -9.386 1.00 41.54 C ATOM 956 OE1 GLU A 66 29.468 14.060 -10.562 1.00 10.42 O1- ATOM 957 OE2 GLU A 66 30.704 14.584 -8.822 1.00 71.33 O ATOM 0 H GLU A 66 26.802 15.283 -6.572 1.00 2.51 H new ATOM 0 HA GLU A 66 25.618 14.300 -8.852 1.00 74.43 H new ATOM 0 HB2 GLU A 66 27.979 13.147 -7.312 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.619 12.840 -9.000 1.00 20.43 H new ATOM 0 HG2 GLU A 66 27.723 15.474 -9.203 1.00 34.14 H new ATOM 0 HG3 GLU A 66 28.627 15.362 -7.706 1.00 34.14 H new ATOM 964 N GLY A 67 25.431 12.179 -6.340 1.00 71.33 N ATOM 965 CA GLY A 67 24.771 10.962 -5.901 1.00 61.34 C ATOM 966 C GLY A 67 25.699 10.047 -5.128 1.00 70.12 C ATOM 967 O GLY A 67 25.299 8.963 -4.701 1.00 52.23 O ATOM 0 H GLY A 67 25.961 12.664 -5.616 1.00 71.33 H new ATOM 0 HA2 GLY A 67 23.917 11.221 -5.275 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.381 10.430 -6.769 1.00 61.34 H new ATOM 971 N ILE A 68 26.942 10.482 -4.947 1.00 31.34 N ATOM 972 CA ILE A 68 27.929 9.693 -4.220 1.00 24.21 C ATOM 973 C ILE A 68 27.651 9.711 -2.721 1.00 41.21 C ATOM 974 O ILE A 68 27.766 10.750 -2.070 1.00 52.24 O ATOM 975 CB ILE A 68 29.358 10.208 -4.473 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.595 10.408 -5.970 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.380 9.242 -3.893 1.00 43.11 C ATOM 978 CD1 ILE A 68 30.910 11.084 -6.290 1.00 24.51 C ATOM 0 H ILE A 68 27.289 11.376 -5.294 1.00 31.34 H new ATOM 0 HA ILE A 68 27.850 8.670 -4.589 1.00 24.21 H new ATOM 0 HB ILE A 68 29.474 11.171 -3.975 1.00 2.11 H new ATOM 0 HG12 ILE A 68 29.564 9.438 -6.467 1.00 53.05 H new ATOM 0 HG13 ILE A 68 28.780 11.003 -6.382 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.385 9.620 -4.080 1.00 43.11 H new ATOM 0 HG22 ILE A 68 30.222 9.147 -2.819 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.266 8.266 -4.364 1.00 43.11 H new ATOM 0 HD11 ILE A 68 31.010 11.193 -7.370 1.00 24.51 H new ATOM 0 HD12 ILE A 68 30.936 12.068 -5.822 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.732 10.479 -5.909 1.00 24.51 H new ATOM 990 N TYR A 69 27.287 8.555 -2.179 1.00 43.21 N ATOM 991 CA TYR A 69 26.993 8.437 -0.755 1.00 1.03 C ATOM 992 C TYR A 69 27.554 7.138 -0.188 1.00 42.24 C ATOM 993 O TYR A 69 27.330 6.058 -0.736 1.00 25.42 O ATOM 994 CB TYR A 69 25.482 8.499 -0.519 1.00 41.35 C ATOM 995 CG TYR A 69 24.801 9.634 -1.251 1.00 60.55 C ATOM 996 CD1 TYR A 69 25.105 10.957 -0.958 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.855 9.380 -2.236 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.484 11.996 -1.623 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.230 10.414 -2.908 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.548 11.720 -2.598 1.00 22.23 C ATOM 1001 OH TYR A 69 22.928 12.752 -3.264 1.00 34.52 O ATOM 0 H TYR A 69 27.188 7.686 -2.703 1.00 43.21 H new ATOM 0 HA TYR A 69 27.470 9.272 -0.241 1.00 1.03 H new ATOM 0 HB2 TYR A 69 25.035 7.556 -0.832 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.293 8.602 0.550 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.839 11.177 -0.197 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.604 8.359 -2.481 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.730 13.019 -1.381 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.497 10.200 -3.672 1.00 73.53 H new ATOM 0 HH TYR A 69 22.483 13.339 -2.617 1.00 34.52 H new ATOM 1011 N LYS A 70 28.287 7.249 0.915 1.00 53.02 N ATOM 1012 CA LYS A 70 28.880 6.084 1.561 1.00 22.35 C ATOM 1013 C LYS A 70 28.236 5.827 2.919 1.00 44.40 C ATOM 1014 O LYS A 70 28.514 6.529 3.892 1.00 32.24 O ATOM 1015 CB LYS A 70 30.389 6.282 1.729 1.00 11.12 C ATOM 1016 CG LYS A 70 31.095 6.695 0.448 1.00 64.32 C ATOM 1017 CD LYS A 70 31.529 8.150 0.496 1.00 64.11 C ATOM 1018 CE LYS A 70 32.112 8.601 -0.834 1.00 50.51 C ATOM 1019 NZ LYS A 70 33.522 8.152 -1.005 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.485 8.135 1.380 1.00 53.02 H new ATOM 0 HA LYS A 70 28.701 5.217 0.925 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.565 7.041 2.492 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.830 5.355 2.094 1.00 11.12 H new ATOM 0 HG2 LYS A 70 31.966 6.059 0.290 1.00 64.32 H new ATOM 0 HG3 LYS A 70 30.430 6.540 -0.401 1.00 64.32 H new ATOM 0 HD2 LYS A 70 30.675 8.777 0.752 1.00 64.11 H new ATOM 0 HD3 LYS A 70 32.270 8.284 1.284 1.00 64.11 H new ATOM 0 HE2 LYS A 70 31.504 8.207 -1.649 1.00 50.51 H new ATOM 0 HE3 LYS A 70 32.067 9.688 -0.900 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 34.102 8.948 -1.338 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 33.891 7.812 -0.094 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 33.559 7.382 -1.703 1.00 34.32 H new ATOM 1033 N VAL A 71 27.376 4.816 2.979 1.00 65.12 N ATOM 1034 CA VAL A 71 26.694 4.464 4.219 1.00 43.30 C ATOM 1035 C VAL A 71 27.368 3.278 4.900 1.00 4.12 C ATOM 1036 O VAL A 71 27.621 2.251 4.269 1.00 32.12 O ATOM 1037 CB VAL A 71 25.213 4.127 3.969 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.533 3.716 5.266 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.497 5.308 3.333 1.00 13.51 C ATOM 0 H VAL A 71 27.135 4.226 2.183 1.00 65.12 H new ATOM 0 HA VAL A 71 26.754 5.335 4.872 1.00 43.30 H new ATOM 0 HB VAL A 71 25.162 3.286 3.277 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.487 3.482 5.070 1.00 72.13 H new ATOM 0 HG12 VAL A 71 25.031 2.837 5.675 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.593 4.534 5.983 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.451 5.051 3.164 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.556 6.170 3.997 1.00 13.51 H new ATOM 0 HG23 VAL A 71 24.970 5.551 2.381 1.00 13.51 H new ATOM 1049 N GLU A 72 27.654 3.426 6.189 1.00 21.11 N ATOM 1050 CA GLU A 72 28.298 2.364 6.954 1.00 23.21 C ATOM 1051 C GLU A 72 27.409 1.908 8.108 1.00 64.10 C ATOM 1052 O GLU A 72 26.783 2.725 8.784 1.00 4.11 O ATOM 1053 CB GLU A 72 29.647 2.842 7.495 1.00 23.23 C ATOM 1054 CG GLU A 72 29.547 3.580 8.820 1.00 11.22 C ATOM 1055 CD GLU A 72 30.696 4.544 9.041 1.00 2.12 C ATOM 1056 OE1 GLU A 72 31.159 5.151 8.053 1.00 13.44 O ATOM 1057 OE2 GLU A 72 31.133 4.690 10.202 1.00 15.25 O1- ATOM 0 H GLU A 72 27.451 4.269 6.725 1.00 21.11 H new ATOM 0 HA GLU A 72 28.460 1.518 6.286 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.305 1.982 7.617 1.00 23.23 H new ATOM 0 HB3 GLU A 72 30.112 3.497 6.759 1.00 23.23 H new ATOM 0 HG2 GLU A 72 28.606 4.129 8.855 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.524 2.855 9.634 1.00 11.22 H new ATOM 1064 N ILE A 73 27.357 0.599 8.325 1.00 64.22 N ATOM 1065 CA ILE A 73 26.546 0.034 9.396 1.00 54.32 C ATOM 1066 C ILE A 73 27.419 -0.625 10.459 1.00 14.42 C ATOM 1067 O ILE A 73 28.331 -1.389 10.141 1.00 11.03 O ATOM 1068 CB ILE A 73 25.544 -1.004 8.855 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.627 -0.364 7.811 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.728 -1.594 9.995 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.768 -0.969 6.432 1.00 1.34 C ATOM 0 H ILE A 73 27.867 -0.091 7.773 1.00 64.22 H new ATOM 0 HA ILE A 73 25.995 0.861 9.844 1.00 54.32 H new ATOM 0 HB ILE A 73 26.100 -1.810 8.376 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.592 -0.463 8.138 1.00 2.33 H new ATOM 0 HG13 ILE A 73 24.843 0.703 7.755 1.00 2.33 H new ATOM 0 HG21 ILE A 73 24.024 -2.326 9.598 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.395 -2.081 10.706 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.179 -0.799 10.499 1.00 24.31 H new ATOM 0 HD11 ILE A 73 24.089 -0.467 5.743 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.794 -0.846 6.084 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.524 -2.030 6.474 1.00 1.34 H new ATOM 1083 N ASP A 74 27.132 -0.325 11.720 1.00 44.44 N ATOM 1084 CA ASP A 74 27.889 -0.890 12.831 1.00 10.11 C ATOM 1085 C ASP A 74 27.120 -2.032 13.488 1.00 13.42 C ATOM 1086 O ASP A 74 26.247 -1.806 14.327 1.00 64.24 O ATOM 1087 CB ASP A 74 28.202 0.192 13.866 1.00 20.22 C ATOM 1088 CG ASP A 74 29.676 0.248 14.219 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.512 0.112 13.301 1.00 11.04 O ATOM 1090 OD2 ASP A 74 29.993 0.428 15.412 1.00 62.12 O1- ATOM 0 H ASP A 74 26.381 0.306 11.999 1.00 44.44 H new ATOM 0 HA ASP A 74 28.825 -1.286 12.436 1.00 10.11 H new ATOM 0 HB2 ASP A 74 27.887 1.162 13.480 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.622 0.005 14.770 1.00 20.22 H new ATOM 1095 N THR A 75 27.448 -3.260 13.101 1.00 2.21 N ATOM 1096 CA THR A 75 26.788 -4.437 13.650 1.00 43.11 C ATOM 1097 C THR A 75 27.516 -4.951 14.887 1.00 52.03 C ATOM 1098 O THR A 75 27.136 -5.967 15.467 1.00 42.55 O ATOM 1099 CB THR A 75 26.705 -5.571 12.611 1.00 63.11 C ATOM 1100 OG1 THR A 75 28.022 -5.988 12.234 1.00 13.12 O ATOM 1101 CG2 THR A 75 25.940 -5.119 11.376 1.00 71.34 C ATOM 0 H THR A 75 28.168 -3.465 12.408 1.00 2.21 H new ATOM 0 HA THR A 75 25.779 -4.131 13.926 1.00 43.11 H new ATOM 0 HB THR A 75 26.174 -6.409 13.063 1.00 63.11 H new ATOM 0 HG1 THR A 75 28.075 -6.966 12.260 1.00 13.12 H new ATOM 0 HG21 THR A 75 25.895 -5.937 10.657 1.00 71.34 H new ATOM 0 HG22 THR A 75 24.928 -4.829 11.660 1.00 71.34 H new ATOM 0 HG23 THR A 75 26.448 -4.267 10.925 1.00 71.34 H new ATOM 1109 N LYS A 76 28.564 -4.239 15.288 1.00 11.51 N ATOM 1110 CA LYS A 76 29.346 -4.621 16.458 1.00 2.32 C ATOM 1111 C LYS A 76 28.616 -4.249 17.744 1.00 63.31 C ATOM 1112 O LYS A 76 28.594 -5.021 18.703 1.00 10.13 O ATOM 1113 CB LYS A 76 30.718 -3.944 16.424 1.00 70.33 C ATOM 1114 CG LYS A 76 30.647 -2.429 16.357 1.00 30.31 C ATOM 1115 CD LYS A 76 30.791 -1.802 17.735 1.00 0.13 C ATOM 1116 CE LYS A 76 32.242 -1.471 18.047 1.00 10.32 C ATOM 1117 NZ LYS A 76 32.646 -0.156 17.474 1.00 64.52 N1+ ATOM 0 H LYS A 76 28.891 -3.394 14.820 1.00 11.51 H new ATOM 0 HA LYS A 76 29.481 -5.702 16.437 1.00 2.32 H new ATOM 0 HB2 LYS A 76 31.279 -4.234 17.312 1.00 70.33 H new ATOM 0 HB3 LYS A 76 31.274 -4.312 15.562 1.00 70.33 H new ATOM 0 HG2 LYS A 76 31.434 -2.056 15.702 1.00 30.31 H new ATOM 0 HG3 LYS A 76 29.697 -2.128 15.917 1.00 30.31 H new ATOM 0 HD2 LYS A 76 30.190 -0.894 17.788 1.00 0.13 H new ATOM 0 HD3 LYS A 76 30.402 -2.486 18.490 1.00 0.13 H new ATOM 0 HE2 LYS A 76 32.387 -1.457 19.127 1.00 10.32 H new ATOM 0 HE3 LYS A 76 32.887 -2.254 17.649 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 33.641 0.034 17.708 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 32.532 -0.178 16.441 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 32.047 0.595 17.873 1.00 64.52 H new ATOM 1131 N SER A 77 28.018 -3.061 17.758 1.00 12.32 N ATOM 1132 CA SER A 77 27.289 -2.586 18.928 1.00 40.54 C ATOM 1133 C SER A 77 25.830 -3.028 18.875 1.00 72.24 C ATOM 1134 O SER A 77 25.128 -3.010 19.887 1.00 3.31 O ATOM 1135 CB SER A 77 27.369 -1.060 19.020 1.00 24.54 C ATOM 1136 OG SER A 77 28.199 -0.656 20.095 1.00 62.42 O ATOM 0 H SER A 77 28.024 -2.411 16.972 1.00 12.32 H new ATOM 0 HA SER A 77 27.750 -3.021 19.815 1.00 40.54 H new ATOM 0 HB2 SER A 77 27.758 -0.656 18.085 1.00 24.54 H new ATOM 0 HB3 SER A 77 26.369 -0.648 19.154 1.00 24.54 H new ATOM 0 HG SER A 77 28.235 0.323 20.131 1.00 62.42 H new ATOM 1142 N TYR A 78 25.381 -3.425 17.690 1.00 33.14 N ATOM 1143 CA TYR A 78 24.005 -3.870 17.504 1.00 43.04 C ATOM 1144 C TYR A 78 23.846 -5.332 17.911 1.00 22.45 C ATOM 1145 O TYR A 78 22.768 -5.758 18.324 1.00 1.02 O ATOM 1146 CB TYR A 78 23.581 -3.686 16.046 1.00 4.32 C ATOM 1147 CG TYR A 78 22.289 -4.390 15.697 1.00 61.13 C ATOM 1148 CD1 TYR A 78 21.149 -4.217 16.473 1.00 50.52 C ATOM 1149 CD2 TYR A 78 22.208 -5.228 14.592 1.00 52.42 C ATOM 1150 CE1 TYR A 78 19.968 -4.860 16.159 1.00 70.55 C ATOM 1151 CE2 TYR A 78 21.030 -5.873 14.270 1.00 61.52 C ATOM 1152 CZ TYR A 78 19.912 -5.686 15.057 1.00 70.05 C ATOM 1153 OH TYR A 78 18.737 -6.326 14.740 1.00 34.34 O ATOM 0 H TYR A 78 25.950 -3.448 16.844 1.00 33.14 H new ATOM 0 HA TYR A 78 23.363 -3.262 18.142 1.00 43.04 H new ATOM 0 HB2 TYR A 78 23.472 -2.621 15.840 1.00 4.32 H new ATOM 0 HB3 TYR A 78 24.374 -4.057 15.396 1.00 4.32 H new ATOM 0 HD1 TYR A 78 21.187 -3.569 17.336 1.00 50.52 H new ATOM 0 HD2 TYR A 78 23.081 -5.378 13.974 1.00 52.42 H new ATOM 0 HE1 TYR A 78 19.092 -4.716 16.774 1.00 70.55 H new ATOM 0 HE2 TYR A 78 20.984 -6.520 13.407 1.00 61.52 H new ATOM 0 HH TYR A 78 18.867 -6.869 13.935 1.00 34.34 H new ATOM 1163 N TRP A 79 24.928 -6.093 17.791 1.00 42.11 N ATOM 1164 CA TRP A 79 24.909 -7.508 18.147 1.00 34.33 C ATOM 1165 C TRP A 79 25.183 -7.698 19.634 1.00 45.25 C ATOM 1166 O TRP A 79 24.919 -8.763 20.193 1.00 50.44 O ATOM 1167 CB TRP A 79 25.944 -8.275 17.323 1.00 11.24 C ATOM 1168 CG TRP A 79 25.510 -8.530 15.911 1.00 33.12 C ATOM 1169 CD1 TRP A 79 24.227 -8.661 15.459 1.00 13.21 C ATOM 1170 CD2 TRP A 79 26.358 -8.686 14.768 1.00 23.44 C ATOM 1171 NE1 TRP A 79 24.227 -8.889 14.105 1.00 13.32 N ATOM 1172 CE2 TRP A 79 25.521 -8.909 13.657 1.00 40.35 C ATOM 1173 CE3 TRP A 79 27.742 -8.658 14.576 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 26.027 -9.102 12.374 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 28.241 -8.852 13.302 1.00 22.15 C ATOM 1176 CH2 TRP A 79 27.385 -9.069 12.215 1.00 55.42 C ATOM 0 H TRP A 79 25.828 -5.755 17.451 1.00 42.11 H new ATOM 0 HA TRP A 79 23.916 -7.900 17.927 1.00 34.33 H new ATOM 0 HB2 TRP A 79 26.878 -7.713 17.312 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.151 -9.228 17.809 1.00 11.24 H new ATOM 0 HD1 TRP A 79 23.343 -8.595 16.076 1.00 13.21 H new ATOM 0 HE1 TRP A 79 23.398 -9.022 13.526 1.00 13.32 H new ATOM 0 HE3 TRP A 79 28.409 -8.488 15.408 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 25.370 -9.272 11.534 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 29.309 -8.836 13.142 1.00 22.15 H new ATOM 0 HH2 TRP A 79 27.806 -9.213 11.231 1.00 55.42 H new ATOM 1187 N LYS A 80 25.712 -6.660 20.273 1.00 50.41 N ATOM 1188 CA LYS A 80 26.020 -6.712 21.696 1.00 54.32 C ATOM 1189 C LYS A 80 24.794 -6.356 22.532 1.00 54.00 C ATOM 1190 O LYS A 80 24.737 -6.653 23.725 1.00 50.04 O ATOM 1191 CB LYS A 80 27.169 -5.757 22.027 1.00 61.21 C ATOM 1192 CG LYS A 80 26.732 -4.310 22.181 1.00 73.40 C ATOM 1193 CD LYS A 80 26.676 -3.896 23.642 1.00 71.12 C ATOM 1194 CE LYS A 80 28.071 -3.715 24.223 1.00 24.41 C ATOM 1195 NZ LYS A 80 28.120 -4.071 25.668 1.00 51.34 N1+ ATOM 0 H LYS A 80 25.936 -5.771 19.826 1.00 50.41 H new ATOM 0 HA LYS A 80 26.321 -7.731 21.939 1.00 54.32 H new ATOM 0 HB2 LYS A 80 27.647 -6.084 22.950 1.00 61.21 H new ATOM 0 HB3 LYS A 80 27.920 -5.819 21.240 1.00 61.21 H new ATOM 0 HG2 LYS A 80 27.424 -3.661 21.644 1.00 73.40 H new ATOM 0 HG3 LYS A 80 25.751 -4.175 21.726 1.00 73.40 H new ATOM 0 HD2 LYS A 80 26.117 -2.965 23.736 1.00 71.12 H new ATOM 0 HD3 LYS A 80 26.137 -4.650 24.215 1.00 71.12 H new ATOM 0 HE2 LYS A 80 28.777 -4.336 23.672 1.00 24.41 H new ATOM 0 HE3 LYS A 80 28.387 -2.680 24.093 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 29.087 -3.934 26.027 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 27.465 -3.462 26.198 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 27.843 -5.066 25.790 1.00 51.34 H new ATOM 1209 N ALA A 81 23.814 -5.721 21.896 1.00 25.51 N ATOM 1210 CA ALA A 81 22.588 -5.329 22.580 1.00 23.43 C ATOM 1211 C ALA A 81 21.610 -6.496 22.665 1.00 74.11 C ATOM 1212 O ALA A 81 21.014 -6.744 23.714 1.00 11.21 O ATOM 1213 CB ALA A 81 21.943 -4.147 21.871 1.00 4.11 C ATOM 0 H ALA A 81 23.846 -5.467 20.909 1.00 25.51 H new ATOM 0 HA ALA A 81 22.847 -5.032 23.596 1.00 23.43 H new ATOM 0 HB1 ALA A 81 21.028 -3.865 22.392 1.00 4.11 H new ATOM 0 HB2 ALA A 81 22.634 -3.304 21.868 1.00 4.11 H new ATOM 0 HB3 ALA A 81 21.704 -4.425 20.844 1.00 4.11 H new ATOM 1219 N LEU A 82 21.448 -7.207 21.555 1.00 72.45 N ATOM 1220 CA LEU A 82 20.541 -8.349 21.504 1.00 71.44 C ATOM 1221 C LEU A 82 21.291 -9.652 21.755 1.00 25.04 C ATOM 1222 O LEU A 82 20.723 -10.739 21.642 1.00 54.03 O ATOM 1223 CB LEU A 82 19.837 -8.405 20.147 1.00 34.13 C ATOM 1224 CG LEU A 82 19.001 -7.180 19.773 1.00 12.53 C ATOM 1225 CD1 LEU A 82 18.210 -6.687 20.974 1.00 33.35 C ATOM 1226 CD2 LEU A 82 19.890 -6.073 19.227 1.00 33.50 C ATOM 0 H LEU A 82 21.932 -7.013 20.678 1.00 72.45 H new ATOM 0 HA LEU A 82 19.795 -8.225 22.289 1.00 71.44 H new ATOM 0 HB2 LEU A 82 20.592 -8.555 19.375 1.00 34.13 H new ATOM 0 HB3 LEU A 82 19.188 -9.281 20.133 1.00 34.13 H new ATOM 0 HG LEU A 82 18.296 -7.470 18.993 1.00 12.53 H new ATOM 0 HD11 LEU A 82 17.621 -5.815 20.689 1.00 33.35 H new ATOM 0 HD12 LEU A 82 17.544 -7.477 21.320 1.00 33.35 H new ATOM 0 HD13 LEU A 82 18.897 -6.415 21.775 1.00 33.35 H new ATOM 0 HD21 LEU A 82 19.278 -5.210 18.966 1.00 33.50 H new ATOM 0 HD22 LEU A 82 20.619 -5.785 19.984 1.00 33.50 H new ATOM 0 HD23 LEU A 82 20.411 -6.430 18.339 1.00 33.50 H new ATOM 1238 N GLY A 83 22.570 -9.537 22.099 1.00 74.52 N ATOM 1239 CA GLY A 83 23.377 -10.715 22.363 1.00 61.44 C ATOM 1240 C GLY A 83 23.396 -11.679 21.193 1.00 64.05 C ATOM 1241 O GLY A 83 23.225 -12.885 21.372 1.00 12.21 O ATOM 0 H GLY A 83 23.062 -8.649 22.200 1.00 74.52 H new ATOM 0 HA2 GLY A 83 24.397 -10.408 22.594 1.00 61.44 H new ATOM 0 HA3 GLY A 83 22.991 -11.226 23.245 1.00 61.44 H new ATOM 1245 N ILE A 84 23.600 -11.146 19.994 1.00 55.22 N ATOM 1246 CA ILE A 84 23.639 -11.969 18.790 1.00 13.14 C ATOM 1247 C ILE A 84 25.059 -12.437 18.491 1.00 55.44 C ATOM 1248 O ILE A 84 26.033 -11.797 18.888 1.00 14.52 O ATOM 1249 CB ILE A 84 23.095 -11.205 17.569 1.00 32.24 C ATOM 1250 CG1 ILE A 84 21.787 -10.496 17.925 1.00 51.22 C ATOM 1251 CG2 ILE A 84 22.886 -12.157 16.400 1.00 0.21 C ATOM 1252 CD1 ILE A 84 20.677 -11.442 18.329 1.00 63.44 C ATOM 0 H ILE A 84 23.741 -10.149 19.829 1.00 55.22 H new ATOM 0 HA ILE A 84 23.005 -12.835 18.978 1.00 13.14 H new ATOM 0 HB ILE A 84 23.826 -10.452 17.274 1.00 32.24 H new ATOM 0 HG12 ILE A 84 21.972 -9.797 18.741 1.00 51.22 H new ATOM 0 HG13 ILE A 84 21.458 -9.907 17.069 1.00 51.22 H new ATOM 0 HG21 ILE A 84 22.501 -11.603 15.544 1.00 0.21 H new ATOM 0 HG22 ILE A 84 23.836 -12.621 16.135 1.00 0.21 H new ATOM 0 HG23 ILE A 84 22.171 -12.930 16.683 1.00 0.21 H new ATOM 0 HD11 ILE A 84 19.780 -10.870 18.567 1.00 63.44 H new ATOM 0 HD12 ILE A 84 20.464 -12.125 17.507 1.00 63.44 H new ATOM 0 HD13 ILE A 84 20.986 -12.013 19.204 1.00 63.44 H new ATOM 1264 N SER A 85 25.170 -13.558 17.785 1.00 21.13 N ATOM 1265 CA SER A 85 26.472 -14.114 17.434 1.00 50.52 C ATOM 1266 C SER A 85 27.372 -13.046 16.822 1.00 44.03 C ATOM 1267 O SER A 85 27.168 -12.598 15.693 1.00 31.33 O ATOM 1268 CB SER A 85 26.305 -15.279 16.455 1.00 54.22 C ATOM 1269 OG SER A 85 26.150 -16.506 17.145 1.00 53.22 O ATOM 0 H SER A 85 24.375 -14.099 17.445 1.00 21.13 H new ATOM 0 HA SER A 85 26.942 -14.480 18.347 1.00 50.52 H new ATOM 0 HB2 SER A 85 25.437 -15.103 15.820 1.00 54.22 H new ATOM 0 HB3 SER A 85 27.174 -15.334 15.799 1.00 54.22 H new ATOM 0 HG SER A 85 26.043 -17.234 16.498 1.00 53.22 H new ATOM 1275 N PRO A 86 28.393 -12.625 17.584 1.00 0.11 N ATOM 1276 CA PRO A 86 29.346 -11.604 17.137 1.00 54.45 C ATOM 1277 C PRO A 86 30.256 -12.109 16.023 1.00 45.13 C ATOM 1278 O PRO A 86 31.141 -12.932 16.257 1.00 52.05 O ATOM 1279 CB PRO A 86 30.160 -11.304 18.399 1.00 32.51 C ATOM 1280 CG PRO A 86 30.058 -12.543 19.220 1.00 54.43 C ATOM 1281 CD PRO A 86 28.697 -13.115 18.939 1.00 54.42 C ATOM 0 HA PRO A 86 28.844 -10.731 16.719 1.00 54.45 H new ATOM 0 HB2 PRO A 86 31.197 -11.075 18.156 1.00 32.51 H new ATOM 0 HB3 PRO A 86 29.760 -10.442 18.932 1.00 32.51 H new ATOM 0 HG2 PRO A 86 30.842 -13.252 18.955 1.00 54.43 H new ATOM 0 HG3 PRO A 86 30.176 -12.319 20.280 1.00 54.43 H new ATOM 0 HD2 PRO A 86 28.703 -14.204 18.980 1.00 54.42 H new ATOM 0 HD3 PRO A 86 27.960 -12.772 19.665 1.00 54.42 H new ATOM 1289 N MET A 87 30.034 -11.609 14.812 1.00 52.20 N ATOM 1290 CA MET A 87 30.837 -12.008 13.663 1.00 11.03 C ATOM 1291 C MET A 87 31.451 -10.791 12.979 1.00 60.21 C ATOM 1292 O MET A 87 31.409 -9.681 13.510 1.00 33.13 O ATOM 1293 CB MET A 87 29.982 -12.791 12.663 1.00 52.31 C ATOM 1294 CG MET A 87 29.148 -13.887 13.306 1.00 30.23 C ATOM 1295 SD MET A 87 30.145 -15.061 14.242 1.00 71.42 S ATOM 1296 CE MET A 87 31.414 -15.461 13.042 1.00 23.32 C ATOM 0 H MET A 87 29.305 -10.927 14.601 1.00 52.20 H new ATOM 0 HA MET A 87 31.644 -12.648 14.021 1.00 11.03 H new ATOM 0 HB2 MET A 87 29.319 -12.099 12.143 1.00 52.31 H new ATOM 0 HB3 MET A 87 30.633 -13.235 11.910 1.00 52.31 H new ATOM 0 HG2 MET A 87 28.409 -13.435 13.968 1.00 30.23 H new ATOM 0 HG3 MET A 87 28.597 -14.421 12.531 1.00 30.23 H new ATOM 0 HE1 MET A 87 31.922 -16.378 13.342 1.00 23.32 H new ATOM 0 HE2 MET A 87 30.957 -15.603 12.063 1.00 23.32 H new ATOM 0 HE3 MET A 87 32.136 -14.646 12.991 1.00 23.32 H new ATOM 1306 N HIS A 88 32.021 -11.006 11.798 1.00 53.41 N ATOM 1307 CA HIS A 88 32.644 -9.925 11.041 1.00 33.42 C ATOM 1308 C HIS A 88 31.982 -9.765 9.675 1.00 73.05 C ATOM 1309 O HIS A 88 32.374 -10.416 8.707 1.00 73.13 O ATOM 1310 CB HIS A 88 34.140 -10.191 10.868 1.00 42.20 C ATOM 1311 CG HIS A 88 34.829 -10.582 12.138 1.00 1.22 C ATOM 1312 ND1 HIS A 88 34.705 -9.870 13.312 1.00 11.32 N ATOM 1313 CD2 HIS A 88 35.653 -11.621 12.415 1.00 14.24 C ATOM 1314 CE1 HIS A 88 35.423 -10.453 14.256 1.00 62.14 C ATOM 1315 NE2 HIS A 88 36.008 -11.517 13.738 1.00 62.24 N ATOM 0 H HIS A 88 32.065 -11.918 11.344 1.00 53.41 H new ATOM 0 HA HIS A 88 32.510 -8.999 11.600 1.00 33.42 H new ATOM 0 HB2 HIS A 88 34.277 -10.983 10.131 1.00 42.20 H new ATOM 0 HB3 HIS A 88 34.616 -9.296 10.467 1.00 42.20 H new ATOM 0 HD2 HIS A 88 35.971 -12.388 11.725 1.00 14.24 H new ATOM 0 HE1 HIS A 88 35.515 -10.116 15.278 1.00 62.14 H new ATOM 0 HE2 HIS A 88 36.624 -12.158 14.239 1.00 62.24 H new ATOM 1323 N GLU A 89 30.979 -8.898 9.608 1.00 70.23 N ATOM 1324 CA GLU A 89 30.262 -8.655 8.361 1.00 14.34 C ATOM 1325 C GLU A 89 29.600 -7.280 8.371 1.00 75.32 C ATOM 1326 O GLU A 89 28.455 -7.127 7.946 1.00 72.42 O ATOM 1327 CB GLU A 89 29.207 -9.740 8.134 1.00 53.11 C ATOM 1328 CG GLU A 89 28.955 -10.047 6.667 1.00 61.24 C ATOM 1329 CD GLU A 89 27.926 -9.123 6.046 1.00 1.31 C ATOM 1330 OE1 GLU A 89 26.718 -9.328 6.290 1.00 4.11 O ATOM 1331 OE2 GLU A 89 28.329 -8.193 5.315 1.00 3.31 O1- ATOM 0 H GLU A 89 30.643 -8.352 10.401 1.00 70.23 H new ATOM 0 HA GLU A 89 30.985 -8.684 7.545 1.00 14.34 H new ATOM 0 HB2 GLU A 89 29.523 -10.653 8.639 1.00 53.11 H new ATOM 0 HB3 GLU A 89 28.271 -9.427 8.597 1.00 53.11 H new ATOM 0 HG2 GLU A 89 29.892 -9.964 6.116 1.00 61.24 H new ATOM 0 HG3 GLU A 89 28.618 -11.079 6.568 1.00 61.24 H new ATOM 1338 N HIS A 90 30.329 -6.283 8.862 1.00 74.52 N ATOM 1339 CA HIS A 90 29.814 -4.920 8.929 1.00 55.24 C ATOM 1340 C HIS A 90 30.254 -4.112 7.713 1.00 4.33 C ATOM 1341 O HIS A 90 30.902 -3.074 7.846 1.00 31.43 O ATOM 1342 CB HIS A 90 30.289 -4.235 10.210 1.00 13.21 C ATOM 1343 CG HIS A 90 31.772 -4.295 10.406 1.00 63.34 C ATOM 1344 ND1 HIS A 90 32.408 -5.351 11.026 1.00 35.31 N ATOM 1345 CD2 HIS A 90 32.748 -3.422 10.060 1.00 64.40 C ATOM 1346 CE1 HIS A 90 33.709 -5.124 11.054 1.00 72.11 C ATOM 1347 NE2 HIS A 90 33.941 -3.960 10.473 1.00 23.52 N ATOM 0 H HIS A 90 31.278 -6.393 9.219 1.00 74.52 H new ATOM 0 HA HIS A 90 28.725 -4.970 8.935 1.00 55.24 H new ATOM 0 HB2 HIS A 90 29.975 -3.191 10.192 1.00 13.21 H new ATOM 0 HB3 HIS A 90 29.799 -4.701 11.065 1.00 13.21 H new ATOM 0 HD2 HIS A 90 32.613 -2.478 9.553 1.00 64.40 H new ATOM 0 HE1 HIS A 90 34.456 -5.778 11.479 1.00 72.11 H new ATOM 0 HE2 HIS A 90 34.858 -3.531 10.351 1.00 23.52 H new ATOM 1355 N ALA A 91 29.900 -4.596 6.526 1.00 73.52 N ATOM 1356 CA ALA A 91 30.259 -3.918 5.286 1.00 22.23 C ATOM 1357 C ALA A 91 29.561 -2.567 5.178 1.00 61.21 C ATOM 1358 O ALA A 91 28.911 -2.117 6.121 1.00 23.03 O ATOM 1359 CB ALA A 91 29.913 -4.790 4.089 1.00 3.52 C ATOM 0 H ALA A 91 29.365 -5.455 6.397 1.00 73.52 H new ATOM 0 HA ALA A 91 31.335 -3.742 5.295 1.00 22.23 H new ATOM 0 HB1 ALA A 91 30.186 -4.271 3.170 1.00 3.52 H new ATOM 0 HB2 ALA A 91 30.462 -5.730 4.153 1.00 3.52 H new ATOM 0 HB3 ALA A 91 28.842 -4.995 4.085 1.00 3.52 H new ATOM 1365 N GLU A 92 29.701 -1.925 4.023 1.00 73.32 N ATOM 1366 CA GLU A 92 29.085 -0.623 3.794 1.00 2.25 C ATOM 1367 C GLU A 92 28.601 -0.497 2.352 1.00 25.30 C ATOM 1368 O GLU A 92 28.892 -1.347 1.510 1.00 13.50 O ATOM 1369 CB GLU A 92 30.075 0.499 4.111 1.00 43.31 C ATOM 1370 CG GLU A 92 31.466 0.260 3.548 1.00 22.11 C ATOM 1371 CD GLU A 92 32.307 1.521 3.514 1.00 21.31 C ATOM 1372 OE1 GLU A 92 31.875 2.537 4.098 1.00 61.05 O ATOM 1373 OE2 GLU A 92 33.396 1.492 2.904 1.00 32.20 O1- ATOM 0 H GLU A 92 30.235 -2.285 3.232 1.00 73.32 H new ATOM 0 HA GLU A 92 28.225 -0.535 4.458 1.00 2.25 H new ATOM 0 HB2 GLU A 92 29.688 1.437 3.714 1.00 43.31 H new ATOM 0 HB3 GLU A 92 30.145 0.616 5.192 1.00 43.31 H new ATOM 0 HG2 GLU A 92 31.973 -0.494 4.150 1.00 22.11 H new ATOM 0 HG3 GLU A 92 31.381 -0.143 2.539 1.00 22.11 H new ATOM 1380 N VAL A 93 27.859 0.570 2.074 1.00 70.21 N ATOM 1381 CA VAL A 93 27.335 0.810 0.734 1.00 61.32 C ATOM 1382 C VAL A 93 27.992 2.029 0.096 1.00 43.24 C ATOM 1383 O VAL A 93 27.793 3.159 0.544 1.00 3.54 O ATOM 1384 CB VAL A 93 25.808 1.016 0.757 1.00 40.32 C ATOM 1385 CG1 VAL A 93 25.253 1.056 -0.658 1.00 24.13 C ATOM 1386 CG2 VAL A 93 25.136 -0.080 1.571 1.00 41.15 C ATOM 0 H VAL A 93 27.607 1.283 2.759 1.00 70.21 H new ATOM 0 HA VAL A 93 27.566 -0.075 0.141 1.00 61.32 H new ATOM 0 HB VAL A 93 25.595 1.974 1.232 1.00 40.32 H new ATOM 0 HG11 VAL A 93 24.173 1.202 -0.621 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.712 1.879 -1.206 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.475 0.116 -1.163 1.00 24.13 H new ATOM 0 HG21 VAL A 93 24.058 0.080 1.577 1.00 41.15 H new ATOM 0 HG22 VAL A 93 25.356 -1.050 1.126 1.00 41.15 H new ATOM 0 HG23 VAL A 93 25.512 -0.056 2.594 1.00 41.15 H new ATOM 1396 N VAL A 94 28.773 1.793 -0.952 1.00 55.22 N ATOM 1397 CA VAL A 94 29.459 2.872 -1.652 1.00 54.44 C ATOM 1398 C VAL A 94 29.114 2.868 -3.138 1.00 72.33 C ATOM 1399 O VAL A 94 29.542 1.986 -3.883 1.00 31.22 O ATOM 1400 CB VAL A 94 30.987 2.766 -1.491 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.683 3.887 -2.247 1.00 44.32 C ATOM 1402 CG2 VAL A 94 31.369 2.786 -0.018 1.00 32.44 C ATOM 0 H VAL A 94 28.947 0.864 -1.335 1.00 55.22 H new ATOM 0 HA VAL A 94 29.119 3.806 -1.204 1.00 54.44 H new ATOM 0 HB VAL A 94 31.315 1.817 -1.915 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.762 3.795 -2.121 1.00 44.32 H new ATOM 0 HG12 VAL A 94 31.434 3.821 -3.306 1.00 44.32 H new ATOM 0 HG13 VAL A 94 31.353 4.849 -1.856 1.00 44.32 H new ATOM 0 HG21 VAL A 94 32.452 2.710 0.078 1.00 32.44 H new ATOM 0 HG22 VAL A 94 31.029 3.718 0.433 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.900 1.944 0.491 1.00 32.44 H new ATOM 1412 N PHE A 95 28.340 3.861 -3.562 1.00 74.21 N ATOM 1413 CA PHE A 95 27.937 3.972 -4.959 1.00 3.42 C ATOM 1414 C PHE A 95 28.191 5.381 -5.488 1.00 14.12 C ATOM 1415 O PHE A 95 27.725 6.366 -4.914 1.00 41.52 O ATOM 1416 CB PHE A 95 26.457 3.616 -5.116 1.00 1.11 C ATOM 1417 CG PHE A 95 26.173 2.150 -4.950 1.00 21.10 C ATOM 1418 CD1 PHE A 95 26.732 1.220 -5.810 1.00 70.40 C ATOM 1419 CD2 PHE A 95 25.346 1.702 -3.932 1.00 44.02 C ATOM 1420 CE1 PHE A 95 26.474 -0.130 -5.660 1.00 25.12 C ATOM 1421 CE2 PHE A 95 25.083 0.355 -3.777 1.00 24.42 C ATOM 1422 CZ PHE A 95 25.646 -0.563 -4.643 1.00 43.33 C ATOM 0 H PHE A 95 27.979 4.600 -2.959 1.00 74.21 H new ATOM 0 HA PHE A 95 28.536 3.271 -5.540 1.00 3.42 H new ATOM 0 HB2 PHE A 95 25.877 4.176 -4.382 1.00 1.11 H new ATOM 0 HB3 PHE A 95 26.117 3.935 -6.101 1.00 1.11 H new ATOM 0 HD1 PHE A 95 27.378 1.554 -6.609 1.00 70.40 H new ATOM 0 HD2 PHE A 95 24.902 2.414 -3.252 1.00 44.02 H new ATOM 0 HE1 PHE A 95 26.919 -0.844 -6.337 1.00 25.12 H new ATOM 0 HE2 PHE A 95 24.437 0.019 -2.979 1.00 24.42 H new ATOM 0 HZ PHE A 95 25.439 -1.616 -4.525 1.00 43.33 H new ATOM 1432 N THR A 96 28.934 5.469 -6.587 1.00 44.40 N ATOM 1433 CA THR A 96 29.252 6.756 -7.193 1.00 34.31 C ATOM 1434 C THR A 96 28.412 6.998 -8.442 1.00 25.23 C ATOM 1435 O THR A 96 28.162 6.078 -9.221 1.00 11.30 O ATOM 1436 CB THR A 96 30.744 6.847 -7.566 1.00 71.34 C ATOM 1437 OG1 THR A 96 31.001 8.073 -8.262 1.00 53.43 O ATOM 1438 CG2 THR A 96 31.159 5.669 -8.433 1.00 41.12 C ATOM 0 H THR A 96 29.327 4.664 -7.075 1.00 44.40 H new ATOM 0 HA THR A 96 29.023 7.521 -6.451 1.00 34.31 H new ATOM 0 HB THR A 96 31.328 6.822 -6.646 1.00 71.34 H new ATOM 0 HG1 THR A 96 31.147 7.885 -9.213 1.00 53.43 H new ATOM 0 HG21 THR A 96 32.216 5.756 -8.683 1.00 41.12 H new ATOM 0 HG22 THR A 96 30.990 4.740 -7.889 1.00 41.12 H new ATOM 0 HG23 THR A 96 30.569 5.666 -9.349 1.00 41.12 H new ATOM 1446 N ALA A 97 27.981 8.241 -8.627 1.00 2.00 N ATOM 1447 CA ALA A 97 27.171 8.604 -9.784 1.00 54.14 C ATOM 1448 C ALA A 97 28.049 9.002 -10.965 1.00 75.12 C ATOM 1449 O ALA A 97 29.212 9.365 -10.792 1.00 3.52 O ATOM 1450 CB ALA A 97 26.219 9.736 -9.427 1.00 3.33 C ATOM 0 H ALA A 97 28.179 9.014 -7.991 1.00 2.00 H new ATOM 0 HA ALA A 97 26.587 7.731 -10.076 1.00 54.14 H new ATOM 0 HB1 ALA A 97 25.620 9.997 -10.300 1.00 3.33 H new ATOM 0 HB2 ALA A 97 25.561 9.417 -8.618 1.00 3.33 H new ATOM 0 HB3 ALA A 97 26.792 10.606 -9.107 1.00 3.33 H new ATOM 1456 N ASN A 98 27.485 8.931 -12.167 1.00 61.44 N ATOM 1457 CA ASN A 98 28.218 9.282 -13.377 1.00 5.53 C ATOM 1458 C ASN A 98 29.400 8.341 -13.591 1.00 5.21 C ATOM 1459 O ASN A 98 30.529 8.785 -13.796 1.00 32.32 O ATOM 1460 CB ASN A 98 28.710 10.729 -13.299 1.00 33.23 C ATOM 1461 CG ASN A 98 28.750 11.400 -14.658 1.00 11.24 C ATOM 1462 OD1 ASN A 98 29.777 11.946 -15.063 1.00 54.42 O ATOM 1463 ND2 ASN A 98 27.628 11.364 -15.369 1.00 42.15 N ATOM 0 H ASN A 98 26.523 8.634 -12.328 1.00 61.44 H new ATOM 0 HA ASN A 98 27.540 9.181 -14.224 1.00 5.53 H new ATOM 0 HB2 ASN A 98 28.057 11.297 -12.636 1.00 33.23 H new ATOM 0 HB3 ASN A 98 29.707 10.748 -12.858 1.00 33.23 H new ATOM 0 HD21 ASN A 98 27.594 11.800 -16.290 1.00 42.15 H new ATOM 0 HD22 ASN A 98 26.801 10.900 -14.993 1.00 42.15 H new ATOM 1470 N ASP A 99 29.131 7.042 -13.540 1.00 51.43 N ATOM 1471 CA ASP A 99 30.172 6.037 -13.730 1.00 34.13 C ATOM 1472 C ASP A 99 29.647 4.858 -14.542 1.00 63.24 C ATOM 1473 O ASP A 99 30.258 4.451 -15.530 1.00 54.14 O ATOM 1474 CB ASP A 99 30.691 5.550 -12.376 1.00 61.02 C ATOM 1475 CG ASP A 99 31.822 6.409 -11.847 1.00 31.11 C ATOM 1476 OD1 ASP A 99 31.565 7.582 -11.506 1.00 64.44 O ATOM 1477 OD2 ASP A 99 32.964 5.909 -11.775 1.00 41.04 O1- ATOM 0 H ASP A 99 28.201 6.659 -13.369 1.00 51.43 H new ATOM 0 HA ASP A 99 30.992 6.497 -14.281 1.00 34.13 H new ATOM 0 HB2 ASP A 99 29.873 5.548 -11.656 1.00 61.02 H new ATOM 0 HB3 ASP A 99 31.035 4.520 -12.471 1.00 61.02 H new ATOM 1482 N SER A 100 28.512 4.312 -14.119 1.00 31.43 N ATOM 1483 CA SER A 100 27.908 3.176 -14.804 1.00 54.41 C ATOM 1484 C SER A 100 26.391 3.324 -14.869 1.00 0.22 C ATOM 1485 O SER A 100 25.788 3.196 -15.933 1.00 0.22 O ATOM 1486 CB SER A 100 28.274 1.870 -14.093 1.00 62.41 C ATOM 1487 OG SER A 100 27.630 0.762 -14.698 1.00 71.24 O ATOM 0 H SER A 100 27.992 4.638 -13.305 1.00 31.43 H new ATOM 0 HA SER A 100 28.297 3.149 -15.822 1.00 54.41 H new ATOM 0 HB2 SER A 100 29.354 1.727 -14.122 1.00 62.41 H new ATOM 0 HB3 SER A 100 27.989 1.932 -13.043 1.00 62.41 H new ATOM 0 HG SER A 100 27.881 -0.060 -14.227 1.00 71.24 H new ATOM 1493 N GLY A 101 25.778 3.596 -13.719 1.00 34.22 N ATOM 1494 CA GLY A 101 24.338 3.757 -13.667 1.00 51.22 C ATOM 1495 C GLY A 101 23.704 2.951 -12.550 1.00 34.21 C ATOM 1496 O GLY A 101 23.038 1.942 -12.785 1.00 62.14 O ATOM 0 H GLY A 101 26.254 3.707 -12.824 1.00 34.22 H new ATOM 0 HA2 GLY A 101 24.098 4.812 -13.531 1.00 51.22 H new ATOM 0 HA3 GLY A 101 23.907 3.452 -14.621 1.00 51.22 H new ATOM 1500 N PRO A 102 23.912 3.396 -11.302 1.00 21.34 N ATOM 1501 CA PRO A 102 23.365 2.723 -10.121 1.00 0.44 C ATOM 1502 C PRO A 102 21.851 2.862 -10.023 1.00 41.02 C ATOM 1503 O PRO A 102 21.141 1.883 -9.794 1.00 2.14 O ATOM 1504 CB PRO A 102 24.046 3.446 -8.954 1.00 64.03 C ATOM 1505 CG PRO A 102 24.387 4.793 -9.491 1.00 43.03 C ATOM 1506 CD PRO A 102 24.696 4.591 -10.949 1.00 62.14 C ATOM 0 HA PRO A 102 23.550 1.649 -10.142 1.00 0.44 H new ATOM 0 HB2 PRO A 102 23.382 3.520 -8.092 1.00 64.03 H new ATOM 0 HB3 PRO A 102 24.938 2.913 -8.625 1.00 64.03 H new ATOM 0 HG2 PRO A 102 23.557 5.487 -9.360 1.00 43.03 H new ATOM 0 HG3 PRO A 102 25.243 5.217 -8.966 1.00 43.03 H new ATOM 0 HD2 PRO A 102 24.402 5.455 -11.545 1.00 62.14 H new ATOM 0 HD3 PRO A 102 25.762 4.436 -11.116 1.00 62.14 H new ATOM 1514 N ARG A 103 21.360 4.086 -10.197 1.00 23.34 N ATOM 1515 CA ARG A 103 19.930 4.352 -10.127 1.00 62.04 C ATOM 1516 C ARG A 103 19.335 3.800 -8.835 1.00 14.33 C ATOM 1517 O ARG A 103 18.258 3.203 -8.840 1.00 52.44 O ATOM 1518 CB ARG A 103 19.215 3.738 -11.332 1.00 30.24 C ATOM 1519 CG ARG A 103 19.428 4.509 -12.625 1.00 22.53 C ATOM 1520 CD ARG A 103 20.711 4.083 -13.322 1.00 52.13 C ATOM 1521 NE ARG A 103 20.626 4.245 -14.771 1.00 1.11 N ATOM 1522 CZ ARG A 103 20.595 5.426 -15.379 1.00 54.03 C ATOM 1523 NH1 ARG A 103 20.642 6.543 -14.666 1.00 3.14 N1+ ATOM 1524 NH2 ARG A 103 20.516 5.491 -16.701 1.00 64.44 N ATOM 0 H ARG A 103 21.933 4.908 -10.387 1.00 23.34 H new ATOM 0 HA ARG A 103 19.788 5.433 -10.140 1.00 62.04 H new ATOM 0 HB2 ARG A 103 19.564 2.714 -11.468 1.00 30.24 H new ATOM 0 HB3 ARG A 103 18.147 3.686 -11.122 1.00 30.24 H new ATOM 0 HG2 ARG A 103 18.580 4.347 -13.290 1.00 22.53 H new ATOM 0 HG3 ARG A 103 19.466 5.577 -12.411 1.00 22.53 H new ATOM 0 HD2 ARG A 103 21.544 4.672 -12.940 1.00 52.13 H new ATOM 0 HD3 ARG A 103 20.923 3.040 -13.086 1.00 52.13 H new ATOM 0 HE ARG A 103 20.588 3.405 -15.348 1.00 1.11 H new ATOM 0 HH11 ARG A 103 20.702 6.497 -13.649 1.00 3.14 H new ATOM 0 HH12 ARG A 103 20.618 7.449 -15.135 1.00 3.14 H new ATOM 0 HH21 ARG A 103 20.479 4.634 -17.252 1.00 64.44 H new ATOM 0 HH22 ARG A 103 20.492 6.398 -17.166 1.00 64.44 H new ATOM 1538 N ARG A 104 20.045 4.004 -7.729 1.00 24.02 N ATOM 1539 CA ARG A 104 19.588 3.525 -6.430 1.00 24.20 C ATOM 1540 C ARG A 104 19.589 4.656 -5.404 1.00 1.51 C ATOM 1541 O ARG A 104 20.512 5.468 -5.361 1.00 72.24 O ATOM 1542 CB ARG A 104 20.479 2.381 -5.943 1.00 25.22 C ATOM 1543 CG ARG A 104 20.018 1.010 -6.413 1.00 31.23 C ATOM 1544 CD ARG A 104 18.750 0.574 -5.696 1.00 34.05 C ATOM 1545 NE ARG A 104 17.967 -0.366 -6.495 1.00 31.23 N ATOM 1546 CZ ARG A 104 16.673 -0.597 -6.297 1.00 4.22 C ATOM 1547 NH1 ARG A 104 16.022 0.039 -5.334 1.00 33.51 N1+ ATOM 1548 NH2 ARG A 104 16.029 -1.465 -7.066 1.00 33.42 N ATOM 0 H ARG A 104 20.938 4.497 -7.707 1.00 24.02 H new ATOM 0 HA ARG A 104 18.567 3.159 -6.543 1.00 24.20 H new ATOM 0 HB2 ARG A 104 21.498 2.552 -6.290 1.00 25.22 H new ATOM 0 HB3 ARG A 104 20.508 2.392 -4.853 1.00 25.22 H new ATOM 0 HG2 ARG A 104 19.840 1.033 -7.488 1.00 31.23 H new ATOM 0 HG3 ARG A 104 20.807 0.279 -6.236 1.00 31.23 H new ATOM 0 HD2 ARG A 104 19.012 0.111 -4.745 1.00 34.05 H new ATOM 0 HD3 ARG A 104 18.143 1.450 -5.468 1.00 34.05 H new ATOM 0 HE ARG A 104 18.439 -0.872 -7.245 1.00 31.23 H new ATOM 0 HH11 ARG A 104 16.514 0.708 -4.742 1.00 33.51 H new ATOM 0 HH12 ARG A 104 15.029 -0.141 -5.185 1.00 33.51 H new ATOM 0 HH21 ARG A 104 16.527 -1.955 -7.809 1.00 33.42 H new ATOM 0 HH22 ARG A 104 15.036 -1.642 -6.914 1.00 33.42 H new ATOM 1562 N TYR A 105 18.548 4.699 -4.580 1.00 3.31 N ATOM 1563 CA TYR A 105 18.426 5.730 -3.557 1.00 51.11 C ATOM 1564 C TYR A 105 18.372 5.111 -2.163 1.00 4.42 C ATOM 1565 O TYR A 105 18.855 5.694 -1.192 1.00 2.22 O ATOM 1566 CB TYR A 105 17.174 6.575 -3.801 1.00 3.13 C ATOM 1567 CG TYR A 105 17.045 7.070 -5.223 1.00 74.50 C ATOM 1568 CD1 TYR A 105 18.101 7.714 -5.854 1.00 22.34 C ATOM 1569 CD2 TYR A 105 15.867 6.893 -5.937 1.00 12.00 C ATOM 1570 CE1 TYR A 105 17.989 8.169 -7.154 1.00 51.10 C ATOM 1571 CE2 TYR A 105 15.744 7.342 -7.237 1.00 50.15 C ATOM 1572 CZ TYR A 105 16.808 7.980 -7.841 1.00 33.34 C ATOM 1573 OH TYR A 105 16.691 8.430 -9.136 1.00 22.10 O ATOM 0 H TYR A 105 17.777 4.032 -4.601 1.00 3.31 H new ATOM 0 HA TYR A 105 19.306 6.371 -3.616 1.00 51.11 H new ATOM 0 HB2 TYR A 105 16.293 5.985 -3.549 1.00 3.13 H new ATOM 0 HB3 TYR A 105 17.187 7.431 -3.127 1.00 3.13 H new ATOM 0 HD1 TYR A 105 19.027 7.862 -5.319 1.00 22.34 H new ATOM 0 HD2 TYR A 105 15.032 6.395 -5.467 1.00 12.00 H new ATOM 0 HE1 TYR A 105 18.820 8.669 -7.629 1.00 51.10 H new ATOM 0 HE2 TYR A 105 14.821 7.195 -7.778 1.00 50.15 H new ATOM 0 HH TYR A 105 15.797 8.217 -9.477 1.00 22.10 H new ATOM 1583 N THR A 106 17.780 3.924 -2.073 1.00 40.24 N ATOM 1584 CA THR A 106 17.661 3.224 -0.801 1.00 32.41 C ATOM 1585 C THR A 106 18.872 2.332 -0.548 1.00 71.02 C ATOM 1586 O THR A 106 19.314 1.604 -1.438 1.00 75.23 O ATOM 1587 CB THR A 106 16.384 2.364 -0.749 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.229 3.193 -0.912 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.292 1.610 0.570 1.00 12.31 C ATOM 0 H THR A 106 17.375 3.428 -2.867 1.00 40.24 H new ATOM 0 HA THR A 106 17.607 3.987 -0.025 1.00 32.41 H new ATOM 0 HB THR A 106 16.428 1.638 -1.561 1.00 75.32 H new ATOM 0 HG1 THR A 106 14.422 2.671 -0.721 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.382 1.010 0.583 1.00 12.31 H new ATOM 0 HG22 THR A 106 17.159 0.958 0.677 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.269 2.322 1.395 1.00 12.31 H new ATOM 1597 N ILE A 107 19.403 2.394 0.669 1.00 54.05 N ATOM 1598 CA ILE A 107 20.562 1.590 1.037 1.00 74.20 C ATOM 1599 C ILE A 107 20.139 0.211 1.531 1.00 63.32 C ATOM 1600 O ILE A 107 19.567 0.076 2.613 1.00 31.52 O ATOM 1601 CB ILE A 107 21.402 2.279 2.128 1.00 44.44 C ATOM 1602 CG1 ILE A 107 22.015 3.574 1.590 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.488 1.341 2.633 1.00 44.24 C ATOM 1604 CD1 ILE A 107 21.257 4.818 1.997 1.00 32.11 C ATOM 0 H ILE A 107 19.049 2.992 1.416 1.00 54.05 H new ATOM 0 HA ILE A 107 21.169 1.481 0.138 1.00 74.20 H new ATOM 0 HB ILE A 107 20.749 2.529 2.964 1.00 44.44 H new ATOM 0 HG12 ILE A 107 23.043 3.653 1.943 1.00 42.14 H new ATOM 0 HG13 ILE A 107 22.055 3.523 0.502 1.00 42.14 H new ATOM 0 HG21 ILE A 107 23.073 1.843 3.404 1.00 44.24 H new ATOM 0 HG22 ILE A 107 22.029 0.445 3.051 1.00 44.24 H new ATOM 0 HG23 ILE A 107 23.141 1.062 1.806 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.749 5.697 1.580 1.00 32.11 H new ATOM 0 HD12 ILE A 107 20.236 4.761 1.621 1.00 32.11 H new ATOM 0 HD13 ILE A 107 21.239 4.894 3.084 1.00 32.11 H new ATOM 1616 N ALA A 108 20.426 -0.812 0.732 1.00 21.23 N ATOM 1617 CA ALA A 108 20.079 -2.181 1.090 1.00 2.35 C ATOM 1618 C ALA A 108 21.226 -2.863 1.828 1.00 63.45 C ATOM 1619 O ALA A 108 22.276 -3.135 1.246 1.00 51.45 O ATOM 1620 CB ALA A 108 19.704 -2.973 -0.154 1.00 32.14 C ATOM 0 H ALA A 108 20.898 -0.718 -0.167 1.00 21.23 H new ATOM 0 HA ALA A 108 19.219 -2.149 1.759 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.447 -3.994 0.128 1.00 32.14 H new ATOM 0 HB2 ALA A 108 18.848 -2.504 -0.639 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.548 -2.989 -0.843 1.00 32.14 H new ATOM 1626 N ALA A 109 21.019 -3.136 3.112 1.00 63.22 N ATOM 1627 CA ALA A 109 22.035 -3.788 3.929 1.00 54.44 C ATOM 1628 C ALA A 109 21.458 -4.990 4.667 1.00 42.04 C ATOM 1629 O ALA A 109 20.511 -4.858 5.442 1.00 35.23 O ATOM 1630 CB ALA A 109 22.634 -2.797 4.915 1.00 2.42 C ATOM 0 H ALA A 109 20.156 -2.916 3.609 1.00 63.22 H new ATOM 0 HA ALA A 109 22.823 -4.147 3.267 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.391 -3.297 5.519 1.00 2.42 H new ATOM 0 HB2 ALA A 109 23.092 -1.972 4.369 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.849 -2.411 5.565 1.00 2.42 H new ATOM 1636 N MET A 110 22.036 -6.162 4.423 1.00 0.21 N ATOM 1637 CA MET A 110 21.577 -7.388 5.066 1.00 34.20 C ATOM 1638 C MET A 110 22.639 -7.932 6.017 1.00 44.24 C ATOM 1639 O MET A 110 23.788 -8.145 5.626 1.00 31.10 O ATOM 1640 CB MET A 110 21.231 -8.443 4.013 1.00 34.11 C ATOM 1641 CG MET A 110 19.960 -8.136 3.241 1.00 44.03 C ATOM 1642 SD MET A 110 19.351 -9.556 2.310 1.00 11.42 S ATOM 1643 CE MET A 110 18.460 -10.441 3.587 1.00 12.22 C ATOM 0 H MET A 110 22.822 -6.288 3.785 1.00 0.21 H new ATOM 0 HA MET A 110 20.682 -7.154 5.643 1.00 34.20 H new ATOM 0 HB2 MET A 110 22.061 -8.530 3.311 1.00 34.11 H new ATOM 0 HB3 MET A 110 21.124 -9.411 4.502 1.00 34.11 H new ATOM 0 HG2 MET A 110 19.189 -7.805 3.936 1.00 44.03 H new ATOM 0 HG3 MET A 110 20.147 -7.310 2.555 1.00 44.03 H new ATOM 0 HE1 MET A 110 18.795 -11.478 3.613 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.650 -9.974 4.553 1.00 12.22 H new ATOM 0 HE3 MET A 110 17.392 -10.410 3.373 1.00 12.22 H new ATOM 1653 N LEU A 111 22.248 -8.152 7.268 1.00 51.13 N ATOM 1654 CA LEU A 111 23.167 -8.670 8.276 1.00 21.14 C ATOM 1655 C LEU A 111 23.235 -10.193 8.219 1.00 54.03 C ATOM 1656 O LEU A 111 22.868 -10.878 9.174 1.00 63.05 O ATOM 1657 CB LEU A 111 22.731 -8.220 9.671 1.00 12.44 C ATOM 1658 CG LEU A 111 22.601 -6.711 9.879 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.748 -5.979 9.200 1.00 71.33 C ATOM 1660 CD2 LEU A 111 21.263 -6.213 9.354 1.00 62.42 C ATOM 0 H LEU A 111 21.302 -7.980 7.608 1.00 51.13 H new ATOM 0 HA LEU A 111 24.160 -8.272 8.066 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.770 -8.682 9.896 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.447 -8.606 10.396 1.00 12.44 H new ATOM 0 HG LEU A 111 22.647 -6.505 10.948 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.639 -4.906 9.358 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.695 -6.314 9.623 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.733 -6.191 8.131 1.00 71.33 H new ATOM 0 HD21 LEU A 111 21.188 -5.137 9.511 1.00 62.42 H new ATOM 0 HD22 LEU A 111 21.186 -6.431 8.289 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.454 -6.714 9.886 1.00 62.42 H new ATOM 1672 N SER A 112 23.710 -10.718 7.094 1.00 54.12 N ATOM 1673 CA SER A 112 23.825 -12.160 6.910 1.00 12.24 C ATOM 1674 C SER A 112 24.805 -12.758 7.916 1.00 22.43 C ATOM 1675 O SER A 112 25.639 -12.064 8.496 1.00 1.40 O ATOM 1676 CB SER A 112 24.279 -12.480 5.485 1.00 43.45 C ATOM 1677 OG SER A 112 23.170 -12.607 4.613 1.00 13.22 O ATOM 0 H SER A 112 24.022 -10.165 6.295 1.00 54.12 H new ATOM 0 HA SER A 112 22.843 -12.603 7.077 1.00 12.24 H new ATOM 0 HB2 SER A 112 24.940 -11.692 5.125 1.00 43.45 H new ATOM 0 HB3 SER A 112 24.855 -13.405 5.483 1.00 43.45 H new ATOM 0 HG SER A 112 23.487 -12.810 3.708 1.00 13.22 H new ATOM 1683 N PRO A 113 24.702 -14.078 8.126 1.00 22.02 N ATOM 1684 CA PRO A 113 25.571 -14.801 9.060 1.00 43.14 C ATOM 1685 C PRO A 113 27.008 -14.893 8.562 1.00 2.12 C ATOM 1686 O PRO A 113 27.345 -14.354 7.507 1.00 12.34 O ATOM 1687 CB PRO A 113 24.938 -16.193 9.129 1.00 50.43 C ATOM 1688 CG PRO A 113 24.214 -16.344 7.835 1.00 10.11 C ATOM 1689 CD PRO A 113 23.730 -14.969 7.469 1.00 23.20 C ATOM 0 HA PRO A 113 25.637 -14.300 10.026 1.00 43.14 H new ATOM 0 HB2 PRO A 113 25.696 -16.967 9.251 1.00 50.43 H new ATOM 0 HB3 PRO A 113 24.257 -16.277 9.976 1.00 50.43 H new ATOM 0 HG2 PRO A 113 24.872 -16.744 7.064 1.00 10.11 H new ATOM 0 HG3 PRO A 113 23.379 -17.038 7.933 1.00 10.11 H new ATOM 0 HD2 PRO A 113 23.717 -14.822 6.389 1.00 23.20 H new ATOM 0 HD3 PRO A 113 22.716 -14.791 7.827 1.00 23.20 H new ATOM 1697 N TYR A 114 27.852 -15.579 9.326 1.00 23.50 N ATOM 1698 CA TYR A 114 29.254 -15.740 8.962 1.00 1.14 C ATOM 1699 C TYR A 114 29.798 -17.074 9.464 1.00 43.00 C ATOM 1700 O TYR A 114 30.631 -17.116 10.369 1.00 5.21 O ATOM 1701 CB TYR A 114 30.086 -14.590 9.531 1.00 52.22 C ATOM 1702 CG TYR A 114 31.548 -14.653 9.150 1.00 0.42 C ATOM 1703 CD1 TYR A 114 31.937 -15.054 7.878 1.00 43.22 C ATOM 1704 CD2 TYR A 114 32.540 -14.312 10.062 1.00 13.42 C ATOM 1705 CE1 TYR A 114 33.272 -15.113 7.525 1.00 31.41 C ATOM 1706 CE2 TYR A 114 33.876 -14.368 9.718 1.00 52.31 C ATOM 1707 CZ TYR A 114 34.238 -14.769 8.448 1.00 63.53 C ATOM 1708 OH TYR A 114 35.568 -14.826 8.102 1.00 74.32 O ATOM 0 H TYR A 114 27.589 -16.032 10.201 1.00 23.50 H new ATOM 0 HA TYR A 114 29.324 -15.726 7.874 1.00 1.14 H new ATOM 0 HB2 TYR A 114 29.669 -13.645 9.183 1.00 52.22 H new ATOM 0 HB3 TYR A 114 30.002 -14.595 10.618 1.00 52.22 H new ATOM 0 HD1 TYR A 114 31.184 -15.324 7.153 1.00 43.22 H new ATOM 0 HD2 TYR A 114 32.261 -13.998 11.057 1.00 13.42 H new ATOM 0 HE1 TYR A 114 33.557 -15.427 6.532 1.00 31.41 H new ATOM 0 HE2 TYR A 114 34.634 -14.099 10.439 1.00 52.31 H new ATOM 0 HH TYR A 114 36.117 -14.551 8.866 1.00 74.32 H new ATOM 1718 N SER A 115 29.320 -18.162 8.869 1.00 75.00 N ATOM 1719 CA SER A 115 29.755 -19.499 9.257 1.00 11.22 C ATOM 1720 C SER A 115 29.126 -20.558 8.357 1.00 71.44 C ATOM 1721 O SER A 115 27.903 -20.669 8.272 1.00 23.43 O ATOM 1722 CB SER A 115 29.390 -19.773 10.717 1.00 64.23 C ATOM 1723 OG SER A 115 30.307 -20.674 11.312 1.00 63.14 O ATOM 0 H SER A 115 28.632 -18.144 8.117 1.00 75.00 H new ATOM 0 HA SER A 115 30.838 -19.548 9.145 1.00 11.22 H new ATOM 0 HB2 SER A 115 29.382 -18.837 11.275 1.00 64.23 H new ATOM 0 HB3 SER A 115 28.383 -20.186 10.772 1.00 64.23 H new ATOM 0 HG SER A 115 30.052 -20.831 12.245 1.00 63.14 H new ATOM 1729 N TYR A 116 29.970 -21.332 7.686 1.00 41.15 N ATOM 1730 CA TYR A 116 29.499 -22.381 6.790 1.00 60.33 C ATOM 1731 C TYR A 116 28.605 -21.802 5.698 1.00 73.11 C ATOM 1732 O TYR A 116 27.747 -22.495 5.150 1.00 43.34 O ATOM 1733 CB TYR A 116 28.737 -23.449 7.576 1.00 52.20 C ATOM 1734 CG TYR A 116 29.629 -24.329 8.422 1.00 62.23 C ATOM 1735 CD1 TYR A 116 30.609 -25.124 7.839 1.00 64.02 C ATOM 1736 CD2 TYR A 116 29.491 -24.368 9.804 1.00 50.21 C ATOM 1737 CE1 TYR A 116 31.425 -25.930 8.608 1.00 12.14 C ATOM 1738 CE2 TYR A 116 30.304 -25.171 10.580 1.00 70.32 C ATOM 1739 CZ TYR A 116 31.269 -25.950 9.978 1.00 0.53 C ATOM 1740 OH TYR A 116 32.080 -26.752 10.748 1.00 30.40 O ATOM 0 H TYR A 116 30.985 -21.253 7.745 1.00 41.15 H new ATOM 0 HA TYR A 116 30.369 -22.839 6.319 1.00 60.33 H new ATOM 0 HB2 TYR A 116 28.005 -22.961 8.220 1.00 52.20 H new ATOM 0 HB3 TYR A 116 28.180 -24.074 6.878 1.00 52.20 H new ATOM 0 HD1 TYR A 116 30.734 -25.111 6.766 1.00 64.02 H new ATOM 0 HD2 TYR A 116 28.735 -23.760 10.279 1.00 50.21 H new ATOM 0 HE1 TYR A 116 32.182 -26.542 8.139 1.00 12.14 H new ATOM 0 HE2 TYR A 116 30.184 -25.188 11.653 1.00 70.32 H new ATOM 0 HH TYR A 116 31.841 -26.648 11.693 1.00 30.40 H new ATOM 1750 N SER A 117 28.812 -20.527 5.385 1.00 25.22 N ATOM 1751 CA SER A 117 28.023 -19.852 4.362 1.00 25.44 C ATOM 1752 C SER A 117 28.752 -19.860 3.022 1.00 44.43 C ATOM 1753 O SER A 117 29.958 -19.617 2.955 1.00 74.44 O ATOM 1754 CB SER A 117 27.724 -18.412 4.784 1.00 52.34 C ATOM 1755 OG SER A 117 28.861 -17.809 5.377 1.00 35.54 O ATOM 0 H SER A 117 29.520 -19.940 5.826 1.00 25.22 H new ATOM 0 HA SER A 117 27.083 -20.392 4.249 1.00 25.44 H new ATOM 0 HB2 SER A 117 27.412 -17.832 3.915 1.00 52.34 H new ATOM 0 HB3 SER A 117 26.893 -18.401 5.489 1.00 52.34 H new ATOM 0 HG SER A 117 28.740 -16.837 5.403 1.00 35.54 H new ATOM 1761 N THR A 118 28.011 -20.142 1.954 1.00 33.43 N ATOM 1762 CA THR A 118 28.586 -20.183 0.614 1.00 53.23 C ATOM 1763 C THR A 118 29.263 -18.863 0.266 1.00 74.11 C ATOM 1764 O THR A 118 30.332 -18.844 -0.345 1.00 53.14 O ATOM 1765 CB THR A 118 27.514 -20.493 -0.447 1.00 13.15 C ATOM 1766 OG1 THR A 118 26.434 -19.559 -0.339 1.00 55.10 O ATOM 1767 CG2 THR A 118 26.984 -21.910 -0.284 1.00 63.23 C ATOM 0 H THR A 118 27.012 -20.345 1.991 1.00 33.43 H new ATOM 0 HA THR A 118 29.329 -20.980 0.613 1.00 53.23 H new ATOM 0 HB THR A 118 27.973 -20.405 -1.432 1.00 13.15 H new ATOM 0 HG1 THR A 118 25.757 -19.762 -1.018 1.00 55.10 H new ATOM 0 HG21 THR A 118 26.228 -22.105 -1.045 1.00 63.23 H new ATOM 0 HG22 THR A 118 27.803 -22.620 -0.396 1.00 63.23 H new ATOM 0 HG23 THR A 118 26.540 -22.021 0.705 1.00 63.23 H new ATOM 1775 N THR A 119 28.636 -17.759 0.660 1.00 11.45 N ATOM 1776 CA THR A 119 29.178 -16.434 0.389 1.00 25.02 C ATOM 1777 C THR A 119 29.618 -15.745 1.676 1.00 41.31 C ATOM 1778 O THR A 119 28.867 -14.965 2.260 1.00 44.13 O ATOM 1779 CB THR A 119 28.149 -15.542 -0.332 1.00 11.34 C ATOM 1780 OG1 THR A 119 27.399 -16.320 -1.270 1.00 72.04 O ATOM 1781 CG2 THR A 119 28.839 -14.394 -1.052 1.00 25.02 C ATOM 0 H THR A 119 27.752 -17.757 1.168 1.00 11.45 H new ATOM 0 HA THR A 119 30.043 -16.574 -0.259 1.00 25.02 H new ATOM 0 HB THR A 119 27.473 -15.126 0.416 1.00 11.34 H new ATOM 0 HG1 THR A 119 26.746 -15.746 -1.723 1.00 72.04 H new ATOM 0 HG21 THR A 119 28.093 -13.778 -1.554 1.00 25.02 H new ATOM 0 HG22 THR A 119 29.385 -13.787 -0.330 1.00 25.02 H new ATOM 0 HG23 THR A 119 29.535 -14.793 -1.790 1.00 25.02 H new ATOM 1789 N ALA A 120 30.838 -16.040 2.112 1.00 13.22 N ATOM 1790 CA ALA A 120 31.378 -15.446 3.329 1.00 52.22 C ATOM 1791 C ALA A 120 32.689 -14.718 3.050 1.00 55.15 C ATOM 1792 O ALA A 120 33.618 -15.289 2.479 1.00 65.21 O ATOM 1793 CB ALA A 120 31.582 -16.516 4.392 1.00 42.50 C ATOM 0 H ALA A 120 31.471 -16.686 1.641 1.00 13.22 H new ATOM 0 HA ALA A 120 30.658 -14.715 3.698 1.00 52.22 H new ATOM 0 HB1 ALA A 120 31.986 -16.059 5.296 1.00 42.50 H new ATOM 0 HB2 ALA A 120 30.627 -16.989 4.620 1.00 42.50 H new ATOM 0 HB3 ALA A 120 32.280 -17.267 4.023 1.00 42.50 H new ATOM 1799 N VAL A 121 32.756 -13.455 3.457 1.00 4.12 N ATOM 1800 CA VAL A 121 33.954 -12.648 3.251 1.00 43.11 C ATOM 1801 C VAL A 121 34.660 -12.365 4.571 1.00 30.44 C ATOM 1802 O VAL A 121 34.107 -12.602 5.646 1.00 24.04 O ATOM 1803 CB VAL A 121 33.619 -11.311 2.563 1.00 72.25 C ATOM 1804 CG1 VAL A 121 32.973 -11.554 1.208 1.00 1.23 C ATOM 1805 CG2 VAL A 121 32.715 -10.468 3.450 1.00 33.31 C ATOM 0 H VAL A 121 31.996 -12.968 3.931 1.00 4.12 H new ATOM 0 HA VAL A 121 34.616 -13.224 2.605 1.00 43.11 H new ATOM 0 HB VAL A 121 34.547 -10.763 2.403 1.00 72.25 H new ATOM 0 HG11 VAL A 121 32.744 -10.598 0.738 1.00 1.23 H new ATOM 0 HG12 VAL A 121 33.659 -12.115 0.573 1.00 1.23 H new ATOM 0 HG13 VAL A 121 32.053 -12.123 1.340 1.00 1.23 H new ATOM 0 HG21 VAL A 121 32.488 -9.527 2.949 1.00 33.31 H new ATOM 0 HG22 VAL A 121 31.788 -11.009 3.644 1.00 33.31 H new ATOM 0 HG23 VAL A 121 33.220 -10.264 4.394 1.00 33.31 H new ATOM 1815 N VAL A 122 35.885 -11.857 4.485 1.00 21.23 N ATOM 1816 CA VAL A 122 36.667 -11.539 5.674 1.00 51.40 C ATOM 1817 C VAL A 122 36.935 -10.041 5.771 1.00 21.04 C ATOM 1818 O VAL A 122 38.059 -9.585 5.560 1.00 52.34 O ATOM 1819 CB VAL A 122 38.011 -12.291 5.680 1.00 74.35 C ATOM 1820 CG1 VAL A 122 38.757 -12.042 6.980 1.00 52.43 C ATOM 1821 CG2 VAL A 122 37.788 -13.780 5.460 1.00 10.13 C ATOM 0 H VAL A 122 36.358 -11.657 3.604 1.00 21.23 H new ATOM 0 HA VAL A 122 36.078 -11.857 6.534 1.00 51.40 H new ATOM 0 HB VAL A 122 38.623 -11.913 4.861 1.00 74.35 H new ATOM 0 HG11 VAL A 122 39.704 -12.582 6.965 1.00 52.43 H new ATOM 0 HG12 VAL A 122 38.949 -10.975 7.091 1.00 52.43 H new ATOM 0 HG13 VAL A 122 38.154 -12.391 7.818 1.00 52.43 H new ATOM 0 HG21 VAL A 122 38.748 -14.297 5.467 1.00 10.13 H new ATOM 0 HG22 VAL A 122 37.157 -14.175 6.256 1.00 10.13 H new ATOM 0 HG23 VAL A 122 37.299 -13.936 4.499 1.00 10.13 H new ATOM 1831 N THR A 123 35.894 -9.279 6.094 1.00 54.15 N ATOM 1832 CA THR A 123 36.017 -7.833 6.220 1.00 30.41 C ATOM 1833 C THR A 123 36.644 -7.447 7.555 1.00 22.22 C ATOM 1834 O THR A 123 35.945 -7.066 8.492 1.00 52.11 O ATOM 1835 CB THR A 123 34.647 -7.139 6.091 1.00 20.34 C ATOM 1836 OG1 THR A 123 33.670 -7.837 6.871 1.00 33.22 O ATOM 1837 CG2 THR A 123 34.201 -7.089 4.638 1.00 21.05 C ATOM 0 H THR A 123 34.957 -9.640 6.273 1.00 54.15 H new ATOM 0 HA THR A 123 36.664 -7.500 5.408 1.00 30.41 H new ATOM 0 HB THR A 123 34.745 -6.118 6.460 1.00 20.34 H new ATOM 0 HG1 THR A 123 33.974 -7.895 7.801 1.00 33.22 H new ATOM 0 HG21 THR A 123 33.232 -6.595 4.572 1.00 21.05 H new ATOM 0 HG22 THR A 123 34.933 -6.533 4.052 1.00 21.05 H new ATOM 0 HG23 THR A 123 34.119 -8.103 4.248 1.00 21.05 H new ATOM 1845 N ASN A 124 37.968 -7.550 7.632 1.00 75.41 N ATOM 1846 CA ASN A 124 38.690 -7.211 8.853 1.00 53.22 C ATOM 1847 C ASN A 124 40.025 -6.550 8.530 1.00 22.31 C ATOM 1848 O ASN A 124 41.094 -7.140 8.689 1.00 32.20 O ATOM 1849 CB ASN A 124 38.921 -8.466 9.698 1.00 13.12 C ATOM 1850 CG ASN A 124 37.676 -8.893 10.452 1.00 63.22 C ATOM 1851 OD1 ASN A 124 36.881 -9.693 9.959 1.00 54.42 O ATOM 1852 ND2 ASN A 124 37.502 -8.359 11.655 1.00 64.04 N ATOM 0 H ASN A 124 38.561 -7.865 6.864 1.00 75.41 H new ATOM 0 HA ASN A 124 38.083 -6.505 9.420 1.00 53.22 H new ATOM 0 HB2 ASN A 124 39.248 -9.281 9.052 1.00 13.12 H new ATOM 0 HB3 ASN A 124 39.726 -8.279 10.408 1.00 13.12 H new ATOM 0 HD21 ASN A 124 36.683 -8.608 12.210 1.00 64.04 H new ATOM 0 HD22 ASN A 124 38.187 -7.700 12.024 1.00 64.04 H new ATOM 1859 N PRO A 125 39.965 -5.293 8.064 1.00 24.52 N ATOM 1860 CA PRO A 125 41.161 -4.522 7.710 1.00 24.42 C ATOM 1861 C PRO A 125 41.984 -4.134 8.933 1.00 35.53 C ATOM 1862 O PRO A 125 41.617 -4.446 10.066 1.00 10.22 O ATOM 1863 CB PRO A 125 40.590 -3.274 7.032 1.00 72.35 C ATOM 1864 CG PRO A 125 39.219 -3.130 7.596 1.00 62.25 C ATOM 1865 CD PRO A 125 38.726 -4.527 7.849 1.00 3.25 C ATOM 0 HA PRO A 125 41.842 -5.093 7.079 1.00 24.42 H new ATOM 0 HB2 PRO A 125 41.199 -2.395 7.243 1.00 72.35 H new ATOM 0 HB3 PRO A 125 40.562 -3.390 5.949 1.00 72.35 H new ATOM 0 HG2 PRO A 125 39.236 -2.549 8.518 1.00 62.25 H new ATOM 0 HG3 PRO A 125 38.564 -2.605 6.900 1.00 62.25 H new ATOM 0 HD2 PRO A 125 38.071 -4.570 8.719 1.00 3.25 H new ATOM 0 HD3 PRO A 125 38.158 -4.912 7.002 1.00 3.25 H new ATOM 1873 N LYS A 126 43.100 -3.452 8.697 1.00 63.33 N ATOM 1874 CA LYS A 126 43.976 -3.019 9.780 1.00 0.11 C ATOM 1875 C LYS A 126 43.190 -2.260 10.845 1.00 52.52 C ATOM 1876 O LYS A 126 43.549 -2.276 12.021 1.00 75.10 O ATOM 1877 CB LYS A 126 45.098 -2.135 9.232 1.00 43.13 C ATOM 1878 CG LYS A 126 44.644 -0.733 8.865 1.00 31.53 C ATOM 1879 CD LYS A 126 43.784 -0.736 7.612 1.00 32.21 C ATOM 1880 CE LYS A 126 43.923 0.566 6.837 1.00 52.15 C ATOM 1881 NZ LYS A 126 45.200 0.622 6.072 1.00 22.22 N1+ ATOM 0 H LYS A 126 43.419 -3.187 7.765 1.00 63.33 H new ATOM 0 HA LYS A 126 44.412 -3.906 10.239 1.00 0.11 H new ATOM 0 HB2 LYS A 126 45.892 -2.068 9.976 1.00 43.13 H new ATOM 0 HB3 LYS A 126 45.527 -2.611 8.350 1.00 43.13 H new ATOM 0 HG2 LYS A 126 44.080 -0.303 9.693 1.00 31.53 H new ATOM 0 HG3 LYS A 126 45.515 -0.097 8.708 1.00 31.53 H new ATOM 0 HD2 LYS A 126 44.071 -1.572 6.975 1.00 32.21 H new ATOM 0 HD3 LYS A 126 42.740 -0.888 7.886 1.00 32.21 H new ATOM 0 HE2 LYS A 126 43.083 0.671 6.150 1.00 52.15 H new ATOM 0 HE3 LYS A 126 43.877 1.407 7.529 1.00 52.15 H new ATOM 0 HZ1 LYS A 126 45.485 1.614 5.944 1.00 22.22 H new ATOM 0 HZ2 LYS A 126 45.941 0.114 6.596 1.00 22.22 H new ATOM 0 HZ3 LYS A 126 45.067 0.178 5.141 1.00 22.22 H new ATOM 1895 N GLU A 127 42.117 -1.599 10.423 1.00 3.11 N ATOM 1896 CA GLU A 127 41.281 -0.835 11.343 1.00 3.11 C ATOM 1897 C GLU A 127 40.382 -1.761 12.157 1.00 14.11 C ATOM 1898 O GLU A 127 39.447 -1.310 12.818 1.00 23.13 O ATOM 1899 CB GLU A 127 40.429 0.175 10.572 1.00 11.02 C ATOM 1900 CG GLU A 127 41.167 1.457 10.227 1.00 14.01 C ATOM 1901 CD GLU A 127 41.069 2.500 11.324 1.00 3.05 C ATOM 1902 OE1 GLU A 127 41.114 2.117 12.512 1.00 15.22 O ATOM 1903 OE2 GLU A 127 40.948 3.699 10.994 1.00 25.34 O1- ATOM 0 H GLU A 127 41.806 -1.577 9.452 1.00 3.11 H new ATOM 0 HA GLU A 127 41.936 -0.298 12.029 1.00 3.11 H new ATOM 0 HB2 GLU A 127 40.075 -0.289 9.652 1.00 11.02 H new ATOM 0 HB3 GLU A 127 39.548 0.421 11.164 1.00 11.02 H new ATOM 0 HG2 GLU A 127 42.216 1.229 10.041 1.00 14.01 H new ATOM 0 HG3 GLU A 127 40.761 1.868 9.303 1.00 14.01 H new TER 1910 GLU A 127