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 35 LYS NZ :NH3+ -156:sc= -0.0658 (180deg=-2.16!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -137:sc= 0.0876 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0651 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 5 THR OG1 : rot 35:sc= 0.875 USER MOD Single : A 8 SER OG : rot 180:sc= -0.104 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -175:sc= -2.26! USER MOD Single : A 13 MET CE :methyl -144:sc= -1.65 (180deg=-3.92!) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= -0.819 (180deg=-1.25) USER MOD Single : A 23 SER OG : rot 180:sc= -0.209 USER MOD Single : A 27 ASN : amide:sc= -3.37 K(o=-3.4,f=-4.1!) USER MOD Single : A 31 HIS : no HD1:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.58! 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 106:sc=-0.00856 USER MOD Single : A 50 SER OG : rot 103:sc= 0.37 USER MOD Single : A 52 SER OG : rot -20:sc= 1.13 USER MOD Single : A 56 HIS : no HD1:sc= -0.0307 K(o=-0.031,f=-1) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -154:sc= 0.0274 USER MOD Single : A 69 TYR OH : rot 180:sc= -1.14 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 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 124:sc= 0.531 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 135:sc= 0.547 USER MOD Single : A 87 MET CE :methyl -147:sc= -3.87! (180deg=-4.54) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.479 K(o=-0.48,f=-1.2) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.0562 X(o=-0.056,f=-0.55) USER MOD Single : A 100 SER OG : rot 76:sc= 0.684 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -170:sc= -0.444 USER MOD Single : A 110 MET CE :methyl -130:sc= -1.83 (180deg=-10.4!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -48:sc= 0.813 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 124 ASN : amide:sc=-0.00049 K(o=-0.00049,f=-0.52) USER MOD Single : A 126 LYS NZ :NH3+ -163:sc= -0.0304 (180deg=-0.477) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.838 16.755 2.250 1.00 61.14 N ATOM 2 CA GLY A 1 8.421 16.447 2.214 1.00 32.12 C ATOM 3 C GLY A 1 7.967 15.660 3.429 1.00 34.20 C ATOM 4 O GLY A 1 8.777 15.126 4.186 1.00 34.12 O ATOM 0 H1 GLY A 1 9.968 17.769 2.440 1.00 61.14 H new ATOM 0 H2 GLY A 1 10.295 16.200 3.002 1.00 61.14 H new ATOM 0 H3 GLY A 1 10.268 16.517 1.334 1.00 61.14 H new ATOM 0 HA2 GLY A 1 7.852 17.375 2.153 1.00 32.12 H new ATOM 0 HA3 GLY A 1 8.199 15.877 1.312 1.00 32.12 H new ATOM 8 N PRO A 2 6.644 15.584 3.628 1.00 40.13 N ATOM 9 CA PRO A 2 6.054 14.861 4.759 1.00 12.23 C ATOM 10 C PRO A 2 6.221 13.350 4.630 1.00 60.11 C ATOM 11 O PRO A 2 6.935 12.865 3.752 1.00 13.32 O ATOM 12 CB PRO A 2 4.573 15.242 4.690 1.00 65.30 C ATOM 13 CG PRO A 2 4.337 15.590 3.260 1.00 53.50 C ATOM 14 CD PRO A 2 5.619 16.197 2.764 1.00 2.22 C ATOM 0 HA PRO A 2 6.532 15.121 5.704 1.00 12.23 H new ATOM 0 HB2 PRO A 2 3.937 14.416 5.006 1.00 65.30 H new ATOM 0 HB3 PRO A 2 4.350 16.085 5.344 1.00 65.30 H new ATOM 0 HG2 PRO A 2 4.075 14.704 2.681 1.00 53.50 H new ATOM 0 HG3 PRO A 2 3.509 16.292 3.161 1.00 53.50 H new ATOM 0 HD2 PRO A 2 5.791 15.969 1.712 1.00 2.22 H new ATOM 0 HD3 PRO A 2 5.612 17.283 2.857 1.00 2.22 H new ATOM 22 N THR A 3 5.557 12.610 5.512 1.00 14.22 N ATOM 23 CA THR A 3 5.633 11.153 5.499 1.00 30.12 C ATOM 24 C THR A 3 5.134 10.589 4.174 1.00 52.42 C ATOM 25 O THR A 3 5.769 9.720 3.580 1.00 64.13 O ATOM 26 CB THR A 3 4.812 10.537 6.647 1.00 60.14 C ATOM 27 OG1 THR A 3 3.413 10.651 6.365 1.00 65.23 O ATOM 28 CG2 THR A 3 5.126 11.227 7.967 1.00 54.24 C ATOM 0 H THR A 3 4.960 12.995 6.244 1.00 14.22 H new ATOM 0 HA THR A 3 6.683 10.890 5.631 1.00 30.12 H new ATOM 0 HB THR A 3 5.080 9.484 6.732 1.00 60.14 H new ATOM 0 HG1 THR A 3 2.898 10.255 7.099 1.00 65.23 H new ATOM 0 HG21 THR A 3 4.535 10.775 8.763 1.00 54.24 H new ATOM 0 HG22 THR A 3 6.186 11.114 8.194 1.00 54.24 H new ATOM 0 HG23 THR A 3 4.882 12.287 7.891 1.00 54.24 H new ATOM 36 N GLY A 4 3.992 11.092 3.714 1.00 41.43 N ATOM 37 CA GLY A 4 3.427 10.626 2.460 1.00 44.14 C ATOM 38 C GLY A 4 2.123 11.320 2.119 1.00 45.21 C ATOM 39 O GLY A 4 1.110 10.666 1.870 1.00 55.11 O ATOM 0 H GLY A 4 3.448 11.814 4.187 1.00 41.43 H new ATOM 0 HA2 GLY A 4 4.145 10.793 1.657 1.00 44.14 H new ATOM 0 HA3 GLY A 4 3.259 9.551 2.518 1.00 44.14 H new ATOM 43 N THR A 5 2.148 12.649 2.108 1.00 31.41 N ATOM 44 CA THR A 5 0.958 13.432 1.796 1.00 22.34 C ATOM 45 C THR A 5 1.311 14.664 0.970 1.00 31.32 C ATOM 46 O THR A 5 1.990 15.572 1.450 1.00 14.22 O ATOM 47 CB THR A 5 0.229 13.880 3.077 1.00 73.45 C ATOM 48 OG1 THR A 5 1.069 14.753 3.840 1.00 5.02 O ATOM 49 CG2 THR A 5 -0.163 12.677 3.924 1.00 64.33 C ATOM 0 H THR A 5 2.978 13.205 2.311 1.00 31.41 H new ATOM 0 HA THR A 5 0.298 12.786 1.217 1.00 22.34 H new ATOM 0 HB THR A 5 -0.677 14.412 2.786 1.00 73.45 H new ATOM 0 HG1 THR A 5 1.604 15.305 3.233 1.00 5.02 H new ATOM 0 HG21 THR A 5 -0.676 13.017 4.823 1.00 64.33 H new ATOM 0 HG22 THR A 5 -0.826 12.029 3.351 1.00 64.33 H new ATOM 0 HG23 THR A 5 0.732 12.123 4.205 1.00 64.33 H new ATOM 57 N GLY A 6 0.846 14.689 -0.275 1.00 71.40 N ATOM 58 CA GLY A 6 1.123 15.815 -1.148 1.00 40.22 C ATOM 59 C GLY A 6 2.360 15.600 -1.997 1.00 10.15 C ATOM 60 O GLY A 6 2.394 15.986 -3.164 1.00 53.20 O ATOM 0 H GLY A 6 0.282 13.950 -0.695 1.00 71.40 H new ATOM 0 HA2 GLY A 6 0.265 15.986 -1.798 1.00 40.22 H new ATOM 0 HA3 GLY A 6 1.251 16.715 -0.546 1.00 40.22 H new ATOM 64 N GLU A 7 3.380 14.982 -1.409 1.00 40.40 N ATOM 65 CA GLU A 7 4.625 14.718 -2.120 1.00 12.15 C ATOM 66 C GLU A 7 5.158 13.327 -1.789 1.00 51.21 C ATOM 67 O GLU A 7 4.731 12.703 -0.817 1.00 21.41 O ATOM 68 CB GLU A 7 5.673 15.775 -1.767 1.00 43.22 C ATOM 69 CG GLU A 7 6.742 15.954 -2.832 1.00 35.11 C ATOM 70 CD GLU A 7 7.395 17.322 -2.780 1.00 70.21 C ATOM 71 OE1 GLU A 7 8.358 17.489 -2.002 1.00 64.44 O ATOM 72 OE2 GLU A 7 6.944 18.224 -3.516 1.00 72.12 O1- ATOM 0 H GLU A 7 3.368 14.655 -0.443 1.00 40.40 H new ATOM 0 HA GLU A 7 4.419 14.763 -3.189 1.00 12.15 H new ATOM 0 HB2 GLU A 7 5.173 16.729 -1.603 1.00 43.22 H new ATOM 0 HB3 GLU A 7 6.151 15.500 -0.827 1.00 43.22 H new ATOM 0 HG2 GLU A 7 7.506 15.186 -2.707 1.00 35.11 H new ATOM 0 HG3 GLU A 7 6.298 15.805 -3.816 1.00 35.11 H new ATOM 79 N SER A 8 6.092 12.848 -2.603 1.00 30.32 N ATOM 80 CA SER A 8 6.680 11.529 -2.400 1.00 50.54 C ATOM 81 C SER A 8 7.521 11.500 -1.127 1.00 74.54 C ATOM 82 O SER A 8 7.897 12.543 -0.593 1.00 32.03 O ATOM 83 CB SER A 8 7.542 11.141 -3.603 1.00 2.22 C ATOM 84 OG SER A 8 8.785 10.602 -3.187 1.00 41.42 O ATOM 0 H SER A 8 6.458 13.353 -3.410 1.00 30.32 H new ATOM 0 HA SER A 8 5.869 10.808 -2.296 1.00 50.54 H new ATOM 0 HB2 SER A 8 7.012 10.411 -4.214 1.00 2.22 H new ATOM 0 HB3 SER A 8 7.713 12.017 -4.229 1.00 2.22 H new ATOM 0 HG SER A 8 9.317 10.361 -3.974 1.00 41.42 H new ATOM 90 N LYS A 9 7.811 10.296 -0.646 1.00 25.14 N ATOM 91 CA LYS A 9 8.608 10.127 0.564 1.00 4.14 C ATOM 92 C LYS A 9 9.945 10.851 0.441 1.00 50.55 C ATOM 93 O LYS A 9 10.255 11.429 -0.603 1.00 2.11 O ATOM 94 CB LYS A 9 8.845 8.641 0.840 1.00 2.34 C ATOM 95 CG LYS A 9 7.606 7.907 1.322 1.00 10.32 C ATOM 96 CD LYS A 9 6.824 7.311 0.164 1.00 40.34 C ATOM 97 CE LYS A 9 5.523 8.060 -0.075 1.00 14.34 C ATOM 98 NZ LYS A 9 4.415 7.141 -0.459 1.00 60.34 N1+ ATOM 0 H LYS A 9 7.506 9.422 -1.075 1.00 25.14 H new ATOM 0 HA LYS A 9 8.055 10.561 1.397 1.00 4.14 H new ATOM 0 HB2 LYS A 9 9.208 8.164 -0.070 1.00 2.34 H new ATOM 0 HB3 LYS A 9 9.631 8.540 1.588 1.00 2.34 H new ATOM 0 HG2 LYS A 9 7.897 7.115 2.012 1.00 10.32 H new ATOM 0 HG3 LYS A 9 6.968 8.594 1.877 1.00 10.32 H new ATOM 0 HD2 LYS A 9 7.432 7.339 -0.740 1.00 40.34 H new ATOM 0 HD3 LYS A 9 6.609 6.263 0.371 1.00 40.34 H new ATOM 0 HE2 LYS A 9 5.247 8.605 0.828 1.00 14.34 H new ATOM 0 HE3 LYS A 9 5.670 8.800 -0.861 1.00 14.34 H new ATOM 0 HZ1 LYS A 9 3.546 7.691 -0.613 1.00 60.34 H new ATOM 0 HZ2 LYS A 9 4.667 6.640 -1.335 1.00 60.34 H new ATOM 0 HZ3 LYS A 9 4.257 6.450 0.302 1.00 60.34 H new ATOM 112 N CYS A 10 10.734 10.814 1.509 1.00 54.34 N ATOM 113 CA CYS A 10 12.038 11.468 1.519 1.00 63.03 C ATOM 114 C CYS A 10 12.866 11.046 0.309 1.00 10.52 C ATOM 115 O CYS A 10 12.640 9.997 -0.294 1.00 12.21 O ATOM 116 CB CYS A 10 12.789 11.131 2.808 1.00 2.32 C ATOM 117 SG CYS A 10 12.229 12.064 4.253 1.00 4.01 S ATOM 0 H CYS A 10 10.494 10.338 2.379 1.00 54.34 H new ATOM 0 HA CYS A 10 11.879 12.545 1.470 1.00 63.03 H new ATOM 0 HB2 CYS A 10 12.680 10.066 3.012 1.00 2.32 H new ATOM 0 HB3 CYS A 10 13.852 11.319 2.657 1.00 2.32 H new ATOM 0 HG CYS A 10 12.990 11.787 5.270 1.00 4.01 H new ATOM 123 N PRO A 11 13.848 11.884 -0.056 1.00 53.44 N ATOM 124 CA PRO A 11 14.730 11.619 -1.197 1.00 54.45 C ATOM 125 C PRO A 11 15.683 10.458 -0.938 1.00 45.03 C ATOM 126 O PRO A 11 16.005 9.691 -1.846 1.00 23.34 O ATOM 127 CB PRO A 11 15.510 12.927 -1.352 1.00 72.55 C ATOM 128 CG PRO A 11 15.491 13.543 0.005 1.00 3.34 C ATOM 129 CD PRO A 11 14.175 13.152 0.618 1.00 61.21 C ATOM 0 HA PRO A 11 14.170 11.332 -2.087 1.00 54.45 H new ATOM 0 HB2 PRO A 11 16.530 12.742 -1.688 1.00 72.55 H new ATOM 0 HB3 PRO A 11 15.045 13.580 -2.090 1.00 72.55 H new ATOM 0 HG2 PRO A 11 16.325 13.184 0.608 1.00 3.34 H new ATOM 0 HG3 PRO A 11 15.586 14.627 -0.057 1.00 3.34 H new ATOM 0 HD2 PRO A 11 14.257 13.024 1.697 1.00 61.21 H new ATOM 0 HD3 PRO A 11 13.410 13.909 0.444 1.00 61.21 H new ATOM 137 N LEU A 12 16.130 10.332 0.307 1.00 63.12 N ATOM 138 CA LEU A 12 17.047 9.263 0.687 1.00 52.33 C ATOM 139 C LEU A 12 16.566 8.556 1.948 1.00 2.43 C ATOM 140 O LEU A 12 16.136 9.198 2.907 1.00 13.02 O ATOM 141 CB LEU A 12 18.453 9.824 0.907 1.00 40.22 C ATOM 142 CG LEU A 12 19.422 8.923 1.674 1.00 11.33 C ATOM 143 CD1 LEU A 12 20.008 7.864 0.755 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.529 9.751 2.311 1.00 15.23 C ATOM 0 H LEU A 12 15.872 10.957 1.071 1.00 63.12 H new ATOM 0 HA LEU A 12 17.076 8.537 -0.125 1.00 52.33 H new ATOM 0 HB2 LEU A 12 18.890 10.048 -0.066 1.00 40.22 H new ATOM 0 HB3 LEU A 12 18.366 10.769 1.443 1.00 40.22 H new ATOM 0 HG LEU A 12 18.869 8.420 2.467 1.00 11.33 H new ATOM 0 HD11 LEU A 12 20.695 7.233 1.319 1.00 73.42 H new ATOM 0 HD12 LEU A 12 19.204 7.251 0.347 1.00 73.42 H new ATOM 0 HD13 LEU A 12 20.546 8.347 -0.061 1.00 73.42 H new ATOM 0 HD21 LEU A 12 21.209 9.094 2.853 1.00 15.23 H new ATOM 0 HD22 LEU A 12 21.079 10.282 1.534 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.092 10.471 3.003 1.00 15.23 H new ATOM 156 N MET A 13 16.642 7.228 1.943 1.00 61.20 N ATOM 157 CA MET A 13 16.217 6.434 3.090 1.00 22.34 C ATOM 158 C MET A 13 17.160 5.256 3.314 1.00 2.51 C ATOM 159 O MET A 13 17.716 4.704 2.365 1.00 53.15 O ATOM 160 CB MET A 13 14.788 5.927 2.884 1.00 74.34 C ATOM 161 CG MET A 13 14.632 5.023 1.672 1.00 62.10 C ATOM 162 SD MET A 13 13.398 3.733 1.921 1.00 31.34 S ATOM 163 CE MET A 13 14.143 2.808 3.262 1.00 60.31 C ATOM 0 H MET A 13 16.994 6.680 1.158 1.00 61.20 H new ATOM 0 HA MET A 13 16.245 7.072 3.973 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.472 5.384 3.775 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.120 6.782 2.778 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.352 5.626 0.808 1.00 62.10 H new ATOM 0 HG3 MET A 13 15.592 4.562 1.442 1.00 62.10 H new ATOM 0 HE1 MET A 13 13.934 1.746 3.132 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.221 2.969 3.260 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.728 3.145 4.212 1.00 60.31 H new ATOM 173 N VAL A 14 17.335 4.876 4.576 1.00 21.22 N ATOM 174 CA VAL A 14 18.209 3.763 4.924 1.00 2.34 C ATOM 175 C VAL A 14 17.404 2.504 5.228 1.00 34.21 C ATOM 176 O VAL A 14 16.577 2.488 6.139 1.00 35.53 O ATOM 177 CB VAL A 14 19.090 4.101 6.142 1.00 44.00 C ATOM 178 CG1 VAL A 14 19.935 2.901 6.541 1.00 51.25 C ATOM 179 CG2 VAL A 14 19.969 5.307 5.845 1.00 44.55 C ATOM 0 H VAL A 14 16.883 5.323 5.374 1.00 21.22 H new ATOM 0 HA VAL A 14 18.848 3.582 4.060 1.00 2.34 H new ATOM 0 HB VAL A 14 18.439 4.351 6.980 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.550 3.160 7.403 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.283 2.066 6.798 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.578 2.616 5.708 1.00 51.25 H new ATOM 0 HG21 VAL A 14 20.585 5.532 6.716 1.00 44.55 H new ATOM 0 HG22 VAL A 14 20.612 5.087 4.993 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.341 6.167 5.613 1.00 44.55 H new ATOM 189 N LYS A 15 17.651 1.450 4.457 1.00 20.03 N ATOM 190 CA LYS A 15 16.951 0.186 4.643 1.00 34.30 C ATOM 191 C LYS A 15 17.898 -0.889 5.169 1.00 62.02 C ATOM 192 O LYS A 15 18.777 -1.362 4.449 1.00 61.44 O ATOM 193 CB LYS A 15 16.324 -0.273 3.324 1.00 53.00 C ATOM 194 CG LYS A 15 15.723 -1.666 3.388 1.00 15.14 C ATOM 195 CD LYS A 15 14.538 -1.719 4.338 1.00 41.01 C ATOM 196 CE LYS A 15 14.913 -2.367 5.661 1.00 63.11 C ATOM 197 NZ LYS A 15 13.797 -3.181 6.217 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.331 1.447 3.697 1.00 20.03 H new ATOM 0 HA LYS A 15 16.162 0.342 5.379 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.548 0.435 3.035 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.084 -0.250 2.543 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.405 -1.972 2.391 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.483 -2.377 3.713 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.169 -0.709 4.518 1.00 41.01 H new ATOM 0 HD3 LYS A 15 13.724 -2.278 3.876 1.00 41.01 H new ATOM 0 HE2 LYS A 15 15.789 -3.000 5.520 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.191 -1.594 6.378 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 13.945 -3.322 7.237 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 12.896 -2.685 6.063 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 13.770 -4.105 5.740 1.00 53.54 H new ATOM 211 N VAL A 16 17.711 -1.271 6.428 1.00 25.51 N ATOM 212 CA VAL A 16 18.546 -2.292 7.049 1.00 72.30 C ATOM 213 C VAL A 16 17.697 -3.400 7.662 1.00 42.30 C ATOM 214 O VAL A 16 16.890 -3.153 8.560 1.00 53.32 O ATOM 215 CB VAL A 16 19.451 -1.689 8.140 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.291 -2.773 8.797 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.335 -0.599 7.555 1.00 21.20 C ATOM 0 H VAL A 16 16.988 -0.889 7.038 1.00 25.51 H new ATOM 0 HA VAL A 16 19.170 -2.712 6.261 1.00 72.30 H new ATOM 0 HB VAL A 16 18.818 -1.240 8.906 1.00 4.53 H new ATOM 0 HG11 VAL A 16 20.924 -2.328 9.565 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.636 -3.515 9.252 1.00 11.20 H new ATOM 0 HG13 VAL A 16 20.917 -3.254 8.045 1.00 11.20 H new ATOM 0 HG21 VAL A 16 20.968 -0.184 8.339 1.00 21.20 H new ATOM 0 HG22 VAL A 16 20.961 -1.021 6.769 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.711 0.190 7.137 1.00 21.20 H new ATOM 227 N LEU A 17 17.884 -4.620 7.174 1.00 45.53 N ATOM 228 CA LEU A 17 17.136 -5.768 7.675 1.00 34.25 C ATOM 229 C LEU A 17 18.039 -6.988 7.814 1.00 35.30 C ATOM 230 O LEU A 17 19.028 -7.127 7.095 1.00 14.24 O ATOM 231 CB LEU A 17 15.968 -6.088 6.739 1.00 4.15 C ATOM 232 CG LEU A 17 16.314 -6.896 5.487 1.00 21.13 C ATOM 233 CD1 LEU A 17 15.762 -8.309 5.596 1.00 54.51 C ATOM 234 CD2 LEU A 17 15.777 -6.206 4.242 1.00 44.01 C ATOM 0 H LEU A 17 18.547 -4.841 6.431 1.00 45.53 H new ATOM 0 HA LEU A 17 16.746 -5.514 8.661 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.215 -6.637 7.305 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.511 -5.149 6.427 1.00 4.15 H new ATOM 0 HG LEU A 17 17.399 -6.957 5.404 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.017 -8.870 4.697 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.194 -8.802 6.466 1.00 54.51 H new ATOM 0 HD13 LEU A 17 14.678 -8.269 5.703 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.032 -6.795 3.361 1.00 44.01 H new ATOM 0 HD22 LEU A 17 14.693 -6.114 4.316 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.220 -5.214 4.156 1.00 44.01 H new ATOM 246 N ASP A 18 17.691 -7.872 8.744 1.00 35.22 N ATOM 247 CA ASP A 18 18.469 -9.083 8.977 1.00 62.01 C ATOM 248 C ASP A 18 18.049 -10.191 8.017 1.00 31.11 C ATOM 249 O ASP A 18 16.941 -10.719 8.110 1.00 73.51 O ATOM 250 CB ASP A 18 18.301 -9.552 10.423 1.00 12.00 C ATOM 251 CG ASP A 18 19.364 -8.985 11.343 1.00 12.43 C ATOM 252 OD1 ASP A 18 19.703 -7.793 11.193 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 19.855 -9.733 12.213 1.00 41.53 O ATOM 0 H ASP A 18 16.875 -7.772 9.348 1.00 35.22 H new ATOM 0 HA ASP A 18 19.519 -8.851 8.799 1.00 62.01 H new ATOM 0 HB2 ASP A 18 17.316 -9.257 10.785 1.00 12.00 H new ATOM 0 HB3 ASP A 18 18.340 -10.641 10.456 1.00 12.00 H new ATOM 258 N ALA A 19 18.941 -10.538 7.094 1.00 34.14 N ATOM 259 CA ALA A 19 18.663 -11.584 6.119 1.00 74.24 C ATOM 260 C ALA A 19 18.472 -12.935 6.800 1.00 42.11 C ATOM 261 O ALA A 19 17.959 -13.879 6.198 1.00 25.21 O ATOM 262 CB ALA A 19 19.784 -11.662 5.094 1.00 45.22 C ATOM 0 H ALA A 19 19.862 -10.109 7.002 1.00 34.14 H new ATOM 0 HA ALA A 19 17.734 -11.330 5.608 1.00 74.24 H new ATOM 0 HB1 ALA A 19 19.563 -12.448 4.372 1.00 45.22 H new ATOM 0 HB2 ALA A 19 19.870 -10.707 4.576 1.00 45.22 H new ATOM 0 HB3 ALA A 19 20.723 -11.887 5.599 1.00 45.22 H new ATOM 268 N VAL A 20 18.887 -13.021 8.060 1.00 34.04 N ATOM 269 CA VAL A 20 18.761 -14.256 8.824 1.00 21.35 C ATOM 270 C VAL A 20 17.309 -14.714 8.893 1.00 44.04 C ATOM 271 O VAL A 20 17.003 -15.883 8.651 1.00 43.12 O ATOM 272 CB VAL A 20 19.303 -14.088 10.256 1.00 5.35 C ATOM 273 CG1 VAL A 20 19.110 -15.369 11.053 1.00 34.41 C ATOM 274 CG2 VAL A 20 20.770 -13.685 10.226 1.00 3.13 C ATOM 0 H VAL A 20 19.313 -12.250 8.573 1.00 34.04 H new ATOM 0 HA VAL A 20 19.353 -15.010 8.305 1.00 21.35 H new ATOM 0 HB VAL A 20 18.742 -13.294 10.748 1.00 5.35 H new ATOM 0 HG11 VAL A 20 19.499 -15.232 12.062 1.00 34.41 H new ATOM 0 HG12 VAL A 20 18.048 -15.610 11.103 1.00 34.41 H new ATOM 0 HG13 VAL A 20 19.645 -16.185 10.566 1.00 34.41 H new ATOM 0 HG21 VAL A 20 21.137 -13.571 11.246 1.00 3.13 H new ATOM 0 HG22 VAL A 20 21.349 -14.456 9.717 1.00 3.13 H new ATOM 0 HG23 VAL A 20 20.877 -12.740 9.694 1.00 3.13 H new ATOM 284 N ARG A 21 16.417 -13.787 9.223 1.00 13.31 N ATOM 285 CA ARG A 21 14.995 -14.096 9.325 1.00 41.52 C ATOM 286 C ARG A 21 14.201 -13.356 8.253 1.00 40.44 C ATOM 287 O ARG A 21 13.069 -13.723 7.941 1.00 1.41 O ATOM 288 CB ARG A 21 14.468 -13.725 10.712 1.00 42.31 C ATOM 289 CG ARG A 21 15.431 -14.062 11.839 1.00 55.31 C ATOM 290 CD ARG A 21 16.324 -12.880 12.182 1.00 11.13 C ATOM 291 NE ARG A 21 17.175 -13.153 13.337 1.00 51.30 N ATOM 292 CZ ARG A 21 16.728 -13.189 14.587 1.00 13.52 C ATOM 293 NH1 ARG A 21 15.445 -12.969 14.843 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 17.564 -13.444 15.585 1.00 1.52 N ATOM 0 H ARG A 21 16.653 -12.815 9.425 1.00 13.31 H new ATOM 0 HA ARG A 21 14.870 -15.168 9.172 1.00 41.52 H new ATOM 0 HB2 ARG A 21 14.253 -12.657 10.736 1.00 42.31 H new ATOM 0 HB3 ARG A 21 13.525 -14.244 10.884 1.00 42.31 H new ATOM 0 HG2 ARG A 21 14.868 -14.362 12.723 1.00 55.31 H new ATOM 0 HG3 ARG A 21 16.047 -14.913 11.550 1.00 55.31 H new ATOM 0 HD2 ARG A 21 16.948 -12.636 11.322 1.00 11.13 H new ATOM 0 HD3 ARG A 21 15.706 -12.006 12.386 1.00 11.13 H new ATOM 0 HE ARG A 21 18.167 -13.325 13.175 1.00 51.30 H new ATOM 0 HH11 ARG A 21 14.799 -12.772 14.079 1.00 72.23 H new ATOM 0 HH12 ARG A 21 15.105 -12.997 15.804 1.00 72.23 H new ATOM 0 HH21 ARG A 21 18.551 -13.613 15.393 1.00 1.52 H new ATOM 0 HH22 ARG A 21 17.219 -13.471 16.545 1.00 1.52 H new ATOM 308 N GLY A 22 14.801 -12.311 7.693 1.00 74.32 N ATOM 309 CA GLY A 22 14.135 -11.535 6.663 1.00 71.21 C ATOM 310 C GLY A 22 13.402 -10.333 7.224 1.00 53.11 C ATOM 311 O GLY A 22 12.728 -9.611 6.491 1.00 34.42 O ATOM 0 H GLY A 22 15.738 -11.987 7.934 1.00 74.32 H new ATOM 0 HA2 GLY A 22 14.871 -11.199 5.933 1.00 71.21 H new ATOM 0 HA3 GLY A 22 13.428 -12.173 6.133 1.00 71.21 H new ATOM 315 N SER A 23 13.533 -10.119 8.530 1.00 51.51 N ATOM 316 CA SER A 23 12.873 -8.999 9.191 1.00 3.34 C ATOM 317 C SER A 23 13.816 -7.806 9.309 1.00 32.43 C ATOM 318 O SER A 23 15.034 -7.931 9.183 1.00 43.34 O ATOM 319 CB SER A 23 12.382 -9.417 10.579 1.00 71.44 C ATOM 320 OG SER A 23 12.969 -10.642 10.980 1.00 35.11 O ATOM 0 H SER A 23 14.090 -10.706 9.151 1.00 51.51 H new ATOM 0 HA SER A 23 12.017 -8.703 8.585 1.00 3.34 H new ATOM 0 HB2 SER A 23 12.625 -8.640 11.303 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.297 -9.516 10.570 1.00 71.44 H new ATOM 0 HG SER A 23 12.640 -10.886 11.870 1.00 35.11 H new ATOM 326 N PRO A 24 13.240 -6.621 9.559 1.00 34.11 N ATOM 327 CA PRO A 24 14.010 -5.382 9.702 1.00 75.01 C ATOM 328 C PRO A 24 14.841 -5.359 10.981 1.00 32.44 C ATOM 329 O PRO A 24 14.470 -5.968 11.984 1.00 65.23 O ATOM 330 CB PRO A 24 12.931 -4.297 9.745 1.00 55.43 C ATOM 331 CG PRO A 24 11.715 -4.993 10.249 1.00 2.33 C ATOM 332 CD PRO A 24 11.794 -6.399 9.724 1.00 25.13 C ATOM 0 HA PRO A 24 14.730 -5.254 8.894 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.220 -3.477 10.403 1.00 55.43 H new ATOM 0 HB3 PRO A 24 12.761 -3.868 8.757 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.684 -4.985 11.339 1.00 2.33 H new ATOM 0 HG3 PRO A 24 10.809 -4.497 9.901 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.355 -7.113 10.420 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.261 -6.506 8.779 1.00 25.13 H new ATOM 340 N ALA A 25 15.965 -4.652 10.937 1.00 41.01 N ATOM 341 CA ALA A 25 16.847 -4.548 12.094 1.00 63.44 C ATOM 342 C ALA A 25 16.546 -3.290 12.902 1.00 30.11 C ATOM 343 O ALA A 25 16.370 -2.209 12.341 1.00 75.14 O ATOM 344 CB ALA A 25 18.303 -4.557 11.650 1.00 64.11 C ATOM 0 H ALA A 25 16.287 -4.143 10.114 1.00 41.01 H new ATOM 0 HA ALA A 25 16.669 -5.411 12.735 1.00 63.44 H new ATOM 0 HB1 ALA A 25 18.950 -4.479 12.524 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.517 -5.486 11.122 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.486 -3.712 10.986 1.00 64.11 H new ATOM 350 N ILE A 26 16.489 -3.439 14.220 1.00 43.00 N ATOM 351 CA ILE A 26 16.210 -2.314 15.105 1.00 13.15 C ATOM 352 C ILE A 26 17.473 -1.858 15.828 1.00 11.44 C ATOM 353 O ILE A 26 18.275 -2.677 16.275 1.00 75.40 O ATOM 354 CB ILE A 26 15.135 -2.671 16.148 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.744 -2.310 15.622 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.413 -1.956 17.462 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.351 -0.874 15.888 1.00 11.12 C ATOM 0 H ILE A 26 16.632 -4.328 14.700 1.00 43.00 H new ATOM 0 HA ILE A 26 15.840 -1.503 14.478 1.00 13.15 H new ATOM 0 HB ILE A 26 15.167 -3.745 16.328 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.712 -2.494 14.548 1.00 52.34 H new ATOM 0 HG13 ILE A 26 13.008 -2.970 16.081 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.644 -2.219 18.189 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.389 -2.258 17.841 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.405 -0.878 17.299 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.354 -0.690 15.488 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.351 -0.690 16.962 1.00 11.12 H new ATOM 0 HD13 ILE A 26 14.065 -0.206 15.406 1.00 11.12 H new ATOM 369 N ASN A 27 17.640 -0.544 15.942 1.00 72.15 N ATOM 370 CA ASN A 27 18.805 0.022 16.613 1.00 74.24 C ATOM 371 C ASN A 27 20.090 -0.352 15.881 1.00 65.44 C ATOM 372 O ASN A 27 20.990 -0.965 16.457 1.00 74.45 O ATOM 373 CB ASN A 27 18.871 -0.464 18.063 1.00 42.11 C ATOM 374 CG ASN A 27 17.565 -0.250 18.803 1.00 53.35 C ATOM 375 OD1 ASN A 27 17.143 -1.092 19.596 1.00 33.42 O ATOM 376 ND2 ASN A 27 16.918 0.882 18.549 1.00 65.05 N ATOM 0 H ASN A 27 16.984 0.148 15.579 1.00 72.15 H new ATOM 0 HA ASN A 27 18.706 1.107 16.605 1.00 74.24 H new ATOM 0 HB2 ASN A 27 19.124 -1.524 18.077 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.671 0.062 18.584 1.00 42.11 H new ATOM 0 HD21 ASN A 27 16.035 1.081 19.019 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.304 1.552 17.884 1.00 65.05 H new ATOM 383 N VAL A 28 20.169 0.021 14.607 1.00 63.23 N ATOM 384 CA VAL A 28 21.345 -0.273 13.797 1.00 64.00 C ATOM 385 C VAL A 28 22.092 1.004 13.429 1.00 62.33 C ATOM 386 O VAL A 28 21.611 1.809 12.632 1.00 75.42 O ATOM 387 CB VAL A 28 20.962 -1.022 12.506 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.198 -1.295 11.662 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.234 -2.315 12.835 1.00 70.12 C ATOM 0 H VAL A 28 19.433 0.527 14.114 1.00 63.23 H new ATOM 0 HA VAL A 28 21.995 -0.909 14.399 1.00 64.00 H new ATOM 0 HB VAL A 28 20.287 -0.391 11.927 1.00 51.21 H new ATOM 0 HG11 VAL A 28 21.909 -1.825 10.754 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.673 -0.351 11.396 1.00 23.21 H new ATOM 0 HG13 VAL A 28 22.899 -1.906 12.231 1.00 23.21 H new ATOM 0 HG21 VAL A 28 19.972 -2.830 11.911 1.00 70.12 H new ATOM 0 HG22 VAL A 28 20.881 -2.954 13.436 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.326 -2.089 13.395 1.00 70.12 H new ATOM 399 N ALA A 29 23.272 1.182 14.014 1.00 51.31 N ATOM 400 CA ALA A 29 24.087 2.359 13.747 1.00 14.44 C ATOM 401 C ALA A 29 24.379 2.498 12.257 1.00 34.01 C ATOM 402 O ALA A 29 24.852 1.559 11.616 1.00 1.50 O ATOM 403 CB ALA A 29 25.387 2.292 14.537 1.00 51.41 C ATOM 0 H ALA A 29 23.684 0.525 14.676 1.00 51.31 H new ATOM 0 HA ALA A 29 23.526 3.238 14.065 1.00 14.44 H new ATOM 0 HB1 ALA A 29 25.986 3.178 14.328 1.00 51.41 H new ATOM 0 HB2 ALA A 29 25.163 2.249 15.603 1.00 51.41 H new ATOM 0 HB3 ALA A 29 25.944 1.401 14.247 1.00 51.41 H new ATOM 409 N VAL A 30 24.094 3.675 11.708 1.00 53.05 N ATOM 410 CA VAL A 30 24.326 3.936 10.293 1.00 30.12 C ATOM 411 C VAL A 30 24.912 5.327 10.080 1.00 13.12 C ATOM 412 O VAL A 30 24.407 6.314 10.617 1.00 14.35 O ATOM 413 CB VAL A 30 23.025 3.808 9.478 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.298 4.038 7.999 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.387 2.446 9.706 1.00 21.10 C ATOM 0 H VAL A 30 23.702 4.463 12.223 1.00 53.05 H new ATOM 0 HA VAL A 30 25.038 3.188 9.945 1.00 30.12 H new ATOM 0 HB VAL A 30 22.326 4.572 9.817 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.368 3.944 7.438 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.708 5.038 7.856 1.00 20.24 H new ATOM 0 HG13 VAL A 30 24.014 3.298 7.642 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.469 2.372 9.123 1.00 21.10 H new ATOM 0 HG22 VAL A 30 23.079 1.663 9.394 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.155 2.325 10.764 1.00 21.10 H new ATOM 425 N HIS A 31 25.980 5.400 9.292 1.00 64.03 N ATOM 426 CA HIS A 31 26.635 6.672 9.007 1.00 64.42 C ATOM 427 C HIS A 31 26.766 6.888 7.503 1.00 32.44 C ATOM 428 O HIS A 31 27.409 6.104 6.805 1.00 61.22 O ATOM 429 CB HIS A 31 28.015 6.717 9.663 1.00 31.03 C ATOM 430 CG HIS A 31 28.028 6.198 11.068 1.00 51.53 C ATOM 431 ND1 HIS A 31 28.074 7.020 12.175 1.00 72.45 N ATOM 432 CD2 HIS A 31 27.997 4.931 11.543 1.00 62.03 C ATOM 433 CE1 HIS A 31 28.074 6.281 13.270 1.00 20.24 C ATOM 434 NE2 HIS A 31 28.028 5.010 12.914 1.00 41.10 N ATOM 0 H HIS A 31 26.410 4.593 8.839 1.00 64.03 H new ATOM 0 HA HIS A 31 26.019 7.471 9.420 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.713 6.133 9.062 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.376 7.746 9.661 1.00 31.03 H new ATOM 0 HD2 HIS A 31 27.956 4.027 10.954 1.00 62.03 H new ATOM 0 HE1 HIS A 31 28.106 6.653 14.283 1.00 20.24 H new ATOM 0 HE2 HIS A 31 28.017 4.216 13.554 1.00 41.10 H new ATOM 442 N VAL A 32 26.152 7.959 7.009 1.00 24.00 N ATOM 443 CA VAL A 32 26.201 8.280 5.587 1.00 4.03 C ATOM 444 C VAL A 32 27.226 9.373 5.305 1.00 11.32 C ATOM 445 O VAL A 32 27.367 10.320 6.078 1.00 31.44 O ATOM 446 CB VAL A 32 24.825 8.735 5.067 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.828 8.813 3.548 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.733 7.797 5.558 1.00 32.45 C ATOM 0 H VAL A 32 25.615 8.619 7.572 1.00 24.00 H new ATOM 0 HA VAL A 32 26.494 7.368 5.067 1.00 4.03 H new ATOM 0 HB VAL A 32 24.619 9.731 5.458 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.847 9.136 3.198 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.583 9.528 3.222 1.00 52.25 H new ATOM 0 HG13 VAL A 32 25.055 7.831 3.134 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.767 8.134 5.181 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.931 6.788 5.198 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.717 7.796 6.648 1.00 32.45 H new ATOM 458 N PHE A 33 27.939 9.236 4.192 1.00 51.12 N ATOM 459 CA PHE A 33 28.952 10.211 3.807 1.00 51.45 C ATOM 460 C PHE A 33 28.844 10.551 2.324 1.00 55.55 C ATOM 461 O PHE A 33 28.176 9.852 1.563 1.00 10.22 O ATOM 462 CB PHE A 33 30.350 9.676 4.119 1.00 10.20 C ATOM 463 CG PHE A 33 30.691 9.702 5.582 1.00 4.40 C ATOM 464 CD1 PHE A 33 30.076 8.828 6.465 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.623 10.600 6.074 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.386 8.849 7.812 1.00 11.13 C ATOM 467 CE2 PHE A 33 31.937 10.625 7.420 1.00 73.04 C ATOM 468 CZ PHE A 33 31.317 9.749 8.290 1.00 5.30 C ATOM 0 H PHE A 33 27.834 8.458 3.540 1.00 51.12 H new ATOM 0 HA PHE A 33 28.782 11.121 4.383 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.428 8.652 3.754 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.086 10.266 3.572 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.346 8.122 6.096 1.00 34.41 H new ATOM 0 HD2 PHE A 33 32.110 11.288 5.399 1.00 65.40 H new ATOM 0 HE1 PHE A 33 29.900 8.162 8.489 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.667 11.329 7.791 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.560 9.768 9.342 1.00 5.30 H new ATOM 478 N ARG A 34 29.507 11.630 1.920 1.00 64.43 N ATOM 479 CA ARG A 34 29.485 12.064 0.528 1.00 65.22 C ATOM 480 C ARG A 34 30.898 12.331 0.020 1.00 15.34 C ATOM 481 O ARG A 34 31.747 12.844 0.750 1.00 10.42 O ATOM 482 CB ARG A 34 28.631 13.324 0.379 1.00 44.03 C ATOM 483 CG ARG A 34 28.451 13.771 -1.063 1.00 42.14 C ATOM 484 CD ARG A 34 29.448 14.856 -1.439 1.00 65.22 C ATOM 485 NE ARG A 34 29.176 15.416 -2.760 1.00 22.33 N ATOM 486 CZ ARG A 34 29.371 14.752 -3.894 1.00 13.23 C ATOM 487 NH1 ARG A 34 29.838 13.511 -3.867 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.101 15.329 -5.057 1.00 1.52 N ATOM 0 H ARG A 34 30.066 12.220 2.537 1.00 64.43 H new ATOM 0 HA ARG A 34 29.048 11.264 -0.070 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.651 13.142 0.819 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.090 14.133 0.947 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.574 12.916 -1.728 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.436 14.143 -1.206 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.416 15.652 -0.695 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.457 14.443 -1.421 1.00 65.22 H new ATOM 0 HE ARG A 34 28.817 16.369 -2.815 1.00 22.33 H new ATOM 0 HH11 ARG A 34 30.048 13.064 -2.974 1.00 32.51 H new ATOM 0 HH12 ARG A 34 29.987 13.003 -4.739 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.743 16.284 -5.082 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.251 14.818 -5.927 1.00 1.52 H new ATOM 502 N LYS A 35 31.146 11.979 -1.237 1.00 52.41 N ATOM 503 CA LYS A 35 32.456 12.180 -1.846 1.00 13.50 C ATOM 504 C LYS A 35 32.799 13.665 -1.919 1.00 22.12 C ATOM 505 O LYS A 35 32.181 14.417 -2.671 1.00 23.40 O ATOM 506 CB LYS A 35 32.489 11.568 -3.247 1.00 52.13 C ATOM 507 CG LYS A 35 33.532 12.192 -4.159 1.00 14.31 C ATOM 508 CD LYS A 35 34.928 12.077 -3.569 1.00 53.52 C ATOM 509 CE LYS A 35 35.287 10.631 -3.266 1.00 23.31 C ATOM 510 NZ LYS A 35 35.330 10.364 -1.801 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.456 11.552 -1.855 1.00 52.41 H new ATOM 0 HA LYS A 35 33.200 11.683 -1.223 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.685 10.499 -3.163 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.506 11.677 -3.705 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.506 11.702 -5.132 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.291 13.242 -4.324 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.654 12.495 -4.266 1.00 53.52 H new ATOM 0 HD3 LYS A 35 34.988 12.667 -2.655 1.00 53.52 H new ATOM 0 HE2 LYS A 35 34.557 9.970 -3.734 1.00 23.31 H new ATOM 0 HE3 LYS A 35 36.257 10.398 -3.706 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 35.944 9.546 -1.615 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.706 11.198 -1.307 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 34.370 10.161 -1.457 1.00 21.52 H new ATOM 524 N ALA A 36 33.789 14.078 -1.133 1.00 11.43 N ATOM 525 CA ALA A 36 34.216 15.471 -1.113 1.00 5.53 C ATOM 526 C ALA A 36 34.986 15.828 -2.379 1.00 3.33 C ATOM 527 O ALA A 36 35.523 14.953 -3.058 1.00 43.41 O ATOM 528 CB ALA A 36 35.065 15.744 0.120 1.00 65.22 C ATOM 0 H ALA A 36 34.309 13.468 -0.503 1.00 11.43 H new ATOM 0 HA ALA A 36 33.325 16.098 -1.074 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.377 16.788 0.123 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.481 15.538 1.017 1.00 65.22 H new ATOM 0 HB3 ALA A 36 35.946 15.102 0.105 1.00 65.22 H new ATOM 534 N ALA A 37 35.035 17.119 -2.693 1.00 31.41 N ATOM 535 CA ALA A 37 35.742 17.592 -3.877 1.00 53.45 C ATOM 536 C ALA A 37 37.222 17.231 -3.814 1.00 42.42 C ATOM 537 O ALA A 37 37.906 17.192 -4.836 1.00 11.14 O ATOM 538 CB ALA A 37 35.569 19.095 -4.030 1.00 43.21 C ATOM 0 H ALA A 37 34.593 17.856 -2.143 1.00 31.41 H new ATOM 0 HA ALA A 37 35.312 17.098 -4.748 1.00 53.45 H new ATOM 0 HB1 ALA A 37 36.102 19.434 -4.918 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.510 19.331 -4.131 1.00 43.21 H new ATOM 0 HB3 ALA A 37 35.971 19.599 -3.151 1.00 43.21 H new ATOM 544 N ASP A 38 37.712 16.970 -2.606 1.00 21.45 N ATOM 545 CA ASP A 38 39.112 16.612 -2.410 1.00 71.21 C ATOM 546 C ASP A 38 39.288 15.097 -2.393 1.00 42.43 C ATOM 547 O ASP A 38 40.302 14.586 -1.916 1.00 64.32 O ATOM 548 CB ASP A 38 39.635 17.215 -1.104 1.00 40.43 C ATOM 549 CG ASP A 38 40.222 18.598 -1.299 1.00 61.52 C ATOM 550 OD1 ASP A 38 39.438 19.561 -1.434 1.00 35.52 O ATOM 551 OD2 ASP A 38 41.465 18.719 -1.318 1.00 52.21 O1- ATOM 0 H ASP A 38 37.160 17.000 -1.749 1.00 21.45 H new ATOM 0 HA ASP A 38 39.686 17.016 -3.244 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.822 17.268 -0.380 1.00 40.43 H new ATOM 0 HB3 ASP A 38 40.395 16.557 -0.682 1.00 40.43 H new ATOM 556 N ASP A 39 38.297 14.385 -2.915 1.00 23.33 N ATOM 557 CA ASP A 39 38.342 12.929 -2.960 1.00 64.41 C ATOM 558 C ASP A 39 38.387 12.342 -1.554 1.00 62.43 C ATOM 559 O ASP A 39 39.141 11.407 -1.281 1.00 42.41 O ATOM 560 CB ASP A 39 39.558 12.460 -3.761 1.00 53.30 C ATOM 561 CG ASP A 39 39.544 10.966 -4.013 1.00 11.54 C ATOM 562 OD1 ASP A 39 38.498 10.449 -4.459 1.00 73.02 O1- ATOM 563 OD2 ASP A 39 40.578 10.311 -3.765 1.00 1.24 O ATOM 0 H ASP A 39 37.451 14.793 -3.314 1.00 23.33 H new ATOM 0 HA ASP A 39 37.435 12.578 -3.451 1.00 64.41 H new ATOM 0 HB2 ASP A 39 39.586 12.986 -4.715 1.00 53.30 H new ATOM 0 HB3 ASP A 39 40.468 12.726 -3.224 1.00 53.30 H new ATOM 568 N THR A 40 37.575 12.898 -0.659 1.00 24.15 N ATOM 569 CA THR A 40 37.524 12.433 0.721 1.00 43.05 C ATOM 570 C THR A 40 36.102 12.051 1.120 1.00 61.51 C ATOM 571 O THR A 40 35.171 12.172 0.323 1.00 34.22 O ATOM 572 CB THR A 40 38.047 13.504 1.695 1.00 44.50 C ATOM 573 OG1 THR A 40 37.075 14.544 1.848 1.00 41.21 O ATOM 574 CG2 THR A 40 39.356 14.096 1.195 1.00 21.33 C ATOM 0 H THR A 40 36.943 13.672 -0.866 1.00 24.15 H new ATOM 0 HA THR A 40 38.165 11.554 0.782 1.00 43.05 H new ATOM 0 HB THR A 40 38.226 13.030 2.660 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.415 15.220 2.470 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.707 14.850 1.899 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.102 13.307 1.108 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.198 14.556 0.219 1.00 21.33 H new ATOM 582 N TRP A 41 35.943 11.591 2.354 1.00 45.03 N ATOM 583 CA TRP A 41 34.635 11.191 2.859 1.00 2.42 C ATOM 584 C TRP A 41 34.080 12.235 3.822 1.00 70.44 C ATOM 585 O TRP A 41 34.551 12.361 4.952 1.00 32.21 O ATOM 586 CB TRP A 41 34.725 9.833 3.556 1.00 70.13 C ATOM 587 CG TRP A 41 34.891 8.687 2.606 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.571 8.695 1.421 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.365 7.364 2.758 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.499 7.457 0.828 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.765 6.623 1.630 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.596 6.733 3.740 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.421 5.286 1.456 1.00 60.44 C ATOM 594 CZ3 TRP A 41 33.254 5.404 3.567 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.667 4.693 2.433 1.00 75.05 C ATOM 0 H TRP A 41 36.704 11.485 3.025 1.00 45.03 H new ATOM 0 HA TRP A 41 33.957 11.110 2.010 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.565 9.844 4.250 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.824 9.677 4.149 1.00 70.13 H new ATOM 0 HD1 TRP A 41 36.089 9.549 1.010 1.00 33.11 H new ATOM 0 HE1 TRP A 41 35.923 7.201 -0.064 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.275 7.273 4.618 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.737 4.736 0.582 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.659 4.906 4.318 1.00 61.10 H new ATOM 0 HH2 TRP A 41 33.385 3.656 2.327 1.00 75.05 H new ATOM 606 N GLU A 42 33.079 12.982 3.368 1.00 73.10 N ATOM 607 CA GLU A 42 32.462 14.016 4.191 1.00 54.20 C ATOM 608 C GLU A 42 31.189 13.496 4.852 1.00 4.34 C ATOM 609 O GLU A 42 30.506 12.612 4.334 1.00 73.22 O ATOM 610 CB GLU A 42 32.143 15.250 3.345 1.00 31.41 C ATOM 611 CG GLU A 42 33.348 16.141 3.089 1.00 53.13 C ATOM 612 CD GLU A 42 33.479 17.252 4.112 1.00 51.31 C ATOM 613 OE1 GLU A 42 32.735 18.249 4.002 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.326 17.126 5.021 1.00 64.44 O ATOM 0 H GLU A 42 32.678 12.891 2.435 1.00 73.10 H new ATOM 0 HA GLU A 42 33.170 14.294 4.972 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.730 14.928 2.389 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.370 15.833 3.845 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.253 15.534 3.100 1.00 53.13 H new ATOM 0 HG3 GLU A 42 33.268 16.577 2.093 1.00 53.13 H new ATOM 621 N PRO A 43 30.862 14.057 6.026 1.00 54.34 N ATOM 622 CA PRO A 43 29.670 13.668 6.784 1.00 24.43 C ATOM 623 C PRO A 43 28.379 14.107 6.103 1.00 42.40 C ATOM 624 O PRO A 43 28.134 15.301 5.924 1.00 63.02 O ATOM 625 CB PRO A 43 29.844 14.397 8.119 1.00 15.11 C ATOM 626 CG PRO A 43 30.708 15.569 7.800 1.00 23.24 C ATOM 627 CD PRO A 43 31.630 15.117 6.702 1.00 63.44 C ATOM 0 HA PRO A 43 29.586 12.586 6.881 1.00 24.43 H new ATOM 0 HB2 PRO A 43 28.883 14.712 8.526 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.310 13.753 8.864 1.00 15.11 H new ATOM 0 HG2 PRO A 43 30.108 16.421 7.480 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.272 15.888 8.676 1.00 23.24 H new ATOM 0 HD2 PRO A 43 31.874 15.933 6.021 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.573 14.740 7.099 1.00 63.44 H new ATOM 635 N PHE A 44 27.555 13.136 5.723 1.00 23.33 N ATOM 636 CA PHE A 44 26.288 13.424 5.059 1.00 30.03 C ATOM 637 C PHE A 44 25.119 13.261 6.026 1.00 11.52 C ATOM 638 O PHE A 44 24.270 14.144 6.143 1.00 21.02 O ATOM 639 CB PHE A 44 26.100 12.501 3.852 1.00 54.34 C ATOM 640 CG PHE A 44 24.833 12.764 3.090 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.626 12.239 3.525 1.00 23.01 C ATOM 642 CD2 PHE A 44 24.847 13.534 1.939 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.457 12.478 2.827 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.682 13.776 1.236 1.00 24.11 C ATOM 645 CZ PHE A 44 22.486 13.247 1.680 1.00 75.12 C ATOM 0 H PHE A 44 27.741 12.143 5.863 1.00 23.33 H new ATOM 0 HA PHE A 44 26.312 14.458 4.716 1.00 30.03 H new ATOM 0 HB2 PHE A 44 26.950 12.617 3.180 1.00 54.34 H new ATOM 0 HB3 PHE A 44 26.102 11.466 4.192 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.599 11.636 4.420 1.00 23.01 H new ATOM 0 HD2 PHE A 44 25.779 13.950 1.587 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.523 12.064 3.178 1.00 44.13 H new ATOM 0 HE2 PHE A 44 23.707 14.378 0.340 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.575 13.434 1.131 1.00 75.12 H new ATOM 655 N ALA A 45 25.083 12.125 6.714 1.00 71.23 N ATOM 656 CA ALA A 45 24.020 11.847 7.672 1.00 64.43 C ATOM 657 C ALA A 45 24.425 10.737 8.636 1.00 24.31 C ATOM 658 O ALA A 45 25.500 10.151 8.506 1.00 5.31 O ATOM 659 CB ALA A 45 22.737 11.472 6.942 1.00 55.21 C ATOM 0 H ALA A 45 25.777 11.383 6.626 1.00 71.23 H new ATOM 0 HA ALA A 45 23.844 12.751 8.254 1.00 64.43 H new ATOM 0 HB1 ALA A 45 21.951 11.267 7.669 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.430 12.297 6.299 1.00 55.21 H new ATOM 0 HB3 ALA A 45 22.910 10.584 6.335 1.00 55.21 H new ATOM 665 N SER A 46 23.559 10.455 9.604 1.00 61.42 N ATOM 666 CA SER A 46 23.830 9.419 10.593 1.00 20.23 C ATOM 667 C SER A 46 22.599 9.153 11.454 1.00 55.20 C ATOM 668 O SER A 46 21.771 10.040 11.662 1.00 65.33 O ATOM 669 CB SER A 46 25.008 9.827 11.481 1.00 30.24 C ATOM 670 OG SER A 46 24.799 9.423 12.823 1.00 45.23 O ATOM 0 H SER A 46 22.664 10.929 9.724 1.00 61.42 H new ATOM 0 HA SER A 46 24.085 8.502 10.061 1.00 20.23 H new ATOM 0 HB2 SER A 46 25.926 9.378 11.102 1.00 30.24 H new ATOM 0 HB3 SER A 46 25.141 10.908 11.440 1.00 30.24 H new ATOM 0 HG SER A 46 25.566 9.694 13.369 1.00 45.23 H new ATOM 676 N GLY A 47 22.485 7.926 11.951 1.00 22.52 N ATOM 677 CA GLY A 47 21.352 7.564 12.782 1.00 13.24 C ATOM 678 C GLY A 47 21.182 6.064 12.911 1.00 23.24 C ATOM 679 O GLY A 47 21.970 5.293 12.362 1.00 53.34 O ATOM 0 H GLY A 47 23.157 7.175 11.793 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.479 7.998 13.774 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.444 7.994 12.360 1.00 13.24 H new ATOM 683 N LYS A 48 20.151 5.646 13.638 1.00 71.53 N ATOM 684 CA LYS A 48 19.879 4.227 13.837 1.00 65.33 C ATOM 685 C LYS A 48 18.599 3.813 13.118 1.00 1.25 C ATOM 686 O LYS A 48 17.560 4.458 13.255 1.00 42.23 O ATOM 687 CB LYS A 48 19.762 3.915 15.330 1.00 75.34 C ATOM 688 CG LYS A 48 21.051 3.399 15.947 1.00 22.40 C ATOM 689 CD LYS A 48 20.909 3.196 17.446 1.00 43.34 C ATOM 690 CE LYS A 48 20.627 4.508 18.162 1.00 30.21 C ATOM 691 NZ LYS A 48 21.423 4.640 19.413 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.490 6.270 14.100 1.00 71.53 H new ATOM 0 HA LYS A 48 20.710 3.660 13.417 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.452 4.817 15.858 1.00 75.34 H new ATOM 0 HB3 LYS A 48 18.976 3.174 15.477 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.329 2.456 15.476 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.858 4.104 15.749 1.00 22.40 H new ATOM 0 HD2 LYS A 48 20.101 2.491 17.644 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.823 2.753 17.842 1.00 43.34 H new ATOM 0 HE2 LYS A 48 20.855 5.341 17.497 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.565 4.571 18.399 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 21.202 5.547 19.871 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 21.187 3.860 20.059 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 22.437 4.605 19.185 1.00 35.43 H new ATOM 705 N THR A 49 18.682 2.730 12.350 1.00 51.42 N ATOM 706 CA THR A 49 17.530 2.229 11.610 1.00 70.12 C ATOM 707 C THR A 49 16.345 1.985 12.537 1.00 10.11 C ATOM 708 O THR A 49 16.468 2.083 13.757 1.00 53.44 O ATOM 709 CB THR A 49 17.865 0.921 10.869 1.00 52.42 C ATOM 710 OG1 THR A 49 18.089 -0.134 11.811 1.00 74.22 O ATOM 711 CG2 THR A 49 19.097 1.095 9.994 1.00 34.12 C ATOM 0 H THR A 49 19.534 2.184 12.225 1.00 51.42 H new ATOM 0 HA THR A 49 17.265 2.994 10.880 1.00 70.12 H new ATOM 0 HB THR A 49 17.019 0.665 10.232 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.322 -0.743 11.808 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.314 0.158 9.481 1.00 34.12 H new ATOM 0 HG22 THR A 49 18.913 1.878 9.258 1.00 34.12 H new ATOM 0 HG23 THR A 49 19.948 1.374 10.615 1.00 34.12 H new ATOM 719 N SER A 50 15.196 1.666 11.948 1.00 34.50 N ATOM 720 CA SER A 50 13.986 1.411 12.721 1.00 20.42 C ATOM 721 C SER A 50 13.373 0.066 12.344 1.00 73.51 C ATOM 722 O SER A 50 13.829 -0.595 11.412 1.00 35.41 O ATOM 723 CB SER A 50 12.967 2.530 12.498 1.00 43.22 C ATOM 724 OG SER A 50 13.513 3.792 12.838 1.00 64.44 O ATOM 0 H SER A 50 15.078 1.578 10.939 1.00 34.50 H new ATOM 0 HA SER A 50 14.258 1.383 13.776 1.00 20.42 H new ATOM 0 HB2 SER A 50 12.651 2.536 11.455 1.00 43.22 H new ATOM 0 HB3 SER A 50 12.078 2.341 13.099 1.00 43.22 H new ATOM 0 HG SER A 50 13.762 4.272 12.021 1.00 64.44 H new ATOM 730 N GLU A 51 12.336 -0.331 13.075 1.00 30.32 N ATOM 731 CA GLU A 51 11.660 -1.597 12.817 1.00 23.23 C ATOM 732 C GLU A 51 10.909 -1.552 11.489 1.00 40.22 C ATOM 733 O GLU A 51 10.410 -2.571 11.012 1.00 52.42 O ATOM 734 CB GLU A 51 10.691 -1.924 13.953 1.00 74.31 C ATOM 735 CG GLU A 51 9.798 -0.759 14.347 1.00 31.32 C ATOM 736 CD GLU A 51 8.324 -1.107 14.289 1.00 73.14 C ATOM 737 OE1 GLU A 51 7.817 -1.704 15.261 1.00 52.03 O ATOM 738 OE2 GLU A 51 7.678 -0.783 13.272 1.00 65.12 O1- ATOM 0 H GLU A 51 11.946 0.205 13.850 1.00 30.32 H new ATOM 0 HA GLU A 51 12.417 -2.379 12.760 1.00 23.23 H new ATOM 0 HB2 GLU A 51 10.066 -2.765 13.655 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.262 -2.244 14.825 1.00 74.31 H new ATOM 0 HG2 GLU A 51 10.052 -0.437 15.357 1.00 31.32 H new ATOM 0 HG3 GLU A 51 9.994 0.084 13.685 1.00 31.32 H new ATOM 745 N SER A 52 10.832 -0.363 10.900 1.00 1.54 N ATOM 746 CA SER A 52 10.137 -0.184 9.630 1.00 44.12 C ATOM 747 C SER A 52 11.130 -0.092 8.476 1.00 3.03 C ATOM 748 O SER A 52 10.751 0.171 7.335 1.00 54.51 O ATOM 749 CB SER A 52 9.270 1.077 9.673 1.00 55.52 C ATOM 750 OG SER A 52 8.684 1.336 8.410 1.00 34.12 O ATOM 0 H SER A 52 11.242 0.490 11.281 1.00 1.54 H new ATOM 0 HA SER A 52 9.497 -1.052 9.468 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.488 0.959 10.423 1.00 55.52 H new ATOM 0 HB3 SER A 52 9.877 1.929 9.977 1.00 55.52 H new ATOM 0 HG SER A 52 9.189 0.868 7.713 1.00 34.12 H new ATOM 756 N GLY A 53 12.406 -0.311 8.782 1.00 14.45 N ATOM 757 CA GLY A 53 13.434 -0.250 7.761 1.00 40.03 C ATOM 758 C GLY A 53 13.666 1.161 7.255 1.00 14.23 C ATOM 759 O GLY A 53 14.244 1.357 6.187 1.00 21.34 O ATOM 0 H GLY A 53 12.745 -0.529 9.719 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.366 -0.646 8.164 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.151 -0.890 6.926 1.00 40.03 H new ATOM 763 N GLU A 54 13.210 2.146 8.023 1.00 31.13 N ATOM 764 CA GLU A 54 13.368 3.545 7.645 1.00 52.11 C ATOM 765 C GLU A 54 13.934 4.361 8.803 1.00 0.31 C ATOM 766 O GLU A 54 13.736 4.024 9.971 1.00 51.32 O ATOM 767 CB GLU A 54 12.027 4.132 7.201 1.00 40.52 C ATOM 768 CG GLU A 54 10.996 4.202 8.315 1.00 10.03 C ATOM 769 CD GLU A 54 9.630 4.638 7.818 1.00 73.01 C ATOM 770 OE1 GLU A 54 8.958 3.830 7.144 1.00 75.13 O1- ATOM 771 OE2 GLU A 54 9.234 5.787 8.106 1.00 31.31 O ATOM 0 H GLU A 54 12.728 2.001 8.910 1.00 31.13 H new ATOM 0 HA GLU A 54 14.070 3.592 6.812 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.191 5.134 6.806 1.00 40.52 H new ATOM 0 HB3 GLU A 54 11.628 3.529 6.385 1.00 40.52 H new ATOM 0 HG2 GLU A 54 10.911 3.224 8.789 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.340 4.898 9.080 1.00 10.03 H new ATOM 778 N LEU A 55 14.641 5.437 8.471 1.00 5.54 N ATOM 779 CA LEU A 55 15.236 6.302 9.484 1.00 34.15 C ATOM 780 C LEU A 55 14.765 7.743 9.314 1.00 70.31 C ATOM 781 O LEU A 55 14.484 8.188 8.201 1.00 34.41 O ATOM 782 CB LEU A 55 16.763 6.240 9.401 1.00 4.21 C ATOM 783 CG LEU A 55 17.483 5.744 10.655 1.00 2.23 C ATOM 784 CD1 LEU A 55 18.842 5.165 10.296 1.00 50.42 C ATOM 785 CD2 LEU A 55 17.631 6.872 11.666 1.00 14.12 C ATOM 0 H LEU A 55 14.816 5.730 7.510 1.00 5.54 H new ATOM 0 HA LEU A 55 14.916 5.948 10.464 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.036 5.591 8.569 1.00 4.21 H new ATOM 0 HB3 LEU A 55 17.135 7.237 9.163 1.00 4.21 H new ATOM 0 HG LEU A 55 16.883 4.954 11.107 1.00 2.23 H new ATOM 0 HD11 LEU A 55 19.340 4.817 11.201 1.00 50.42 H new ATOM 0 HD12 LEU A 55 18.711 4.329 9.609 1.00 50.42 H new ATOM 0 HD13 LEU A 55 19.451 5.934 9.820 1.00 50.42 H new ATOM 0 HD21 LEU A 55 18.146 6.501 12.552 1.00 14.12 H new ATOM 0 HD22 LEU A 55 18.209 7.683 11.224 1.00 14.12 H new ATOM 0 HD23 LEU A 55 16.644 7.241 11.947 1.00 14.12 H new ATOM 797 N HIS A 56 14.682 8.468 10.425 1.00 5.15 N ATOM 798 CA HIS A 56 14.248 9.860 10.399 1.00 13.42 C ATOM 799 C HIS A 56 15.383 10.791 10.815 1.00 51.22 C ATOM 800 O HIS A 56 15.982 10.621 11.876 1.00 34.12 O ATOM 801 CB HIS A 56 13.045 10.058 11.322 1.00 32.12 C ATOM 802 CG HIS A 56 13.255 9.519 12.704 1.00 53.30 C ATOM 803 ND1 HIS A 56 13.164 8.178 13.010 1.00 23.11 N ATOM 804 CD2 HIS A 56 13.556 10.149 13.864 1.00 72.43 C ATOM 805 CE1 HIS A 56 13.398 8.005 14.299 1.00 1.32 C ATOM 806 NE2 HIS A 56 13.639 9.186 14.840 1.00 3.25 N ATOM 0 H HIS A 56 14.910 8.115 11.354 1.00 5.15 H new ATOM 0 HA HIS A 56 13.957 10.105 9.378 1.00 13.42 H new ATOM 0 HB2 HIS A 56 12.818 11.122 11.387 1.00 32.12 H new ATOM 0 HB3 HIS A 56 12.175 9.573 10.880 1.00 32.12 H new ATOM 0 HD2 HIS A 56 13.703 11.211 13.997 1.00 72.43 H new ATOM 0 HE1 HIS A 56 13.393 7.060 14.821 1.00 1.32 H new ATOM 0 HE2 HIS A 56 13.852 9.355 15.823 1.00 3.25 H new ATOM 814 N GLY A 57 15.672 11.777 9.971 1.00 61.41 N ATOM 815 CA GLY A 57 16.734 12.720 10.268 1.00 74.22 C ATOM 816 C GLY A 57 17.912 12.582 9.324 1.00 32.15 C ATOM 817 O GLY A 57 18.680 13.528 9.136 1.00 74.24 O ATOM 0 H GLY A 57 15.190 11.939 9.087 1.00 61.41 H new ATOM 0 HA2 GLY A 57 16.342 13.735 10.208 1.00 74.22 H new ATOM 0 HA3 GLY A 57 17.074 12.569 11.293 1.00 74.22 H new ATOM 821 N LEU A 58 18.058 11.404 8.729 1.00 71.24 N ATOM 822 CA LEU A 58 19.152 11.145 7.799 1.00 13.14 C ATOM 823 C LEU A 58 19.135 12.144 6.647 1.00 72.13 C ATOM 824 O LEU A 58 20.164 12.407 6.022 1.00 54.40 O ATOM 825 CB LEU A 58 19.058 9.719 7.255 1.00 52.25 C ATOM 826 CG LEU A 58 19.736 8.635 8.093 1.00 45.12 C ATOM 827 CD1 LEU A 58 21.247 8.712 7.944 1.00 71.41 C ATOM 828 CD2 LEU A 58 19.336 8.763 9.556 1.00 33.14 C ATOM 0 H LEU A 58 17.432 10.612 8.874 1.00 71.24 H new ATOM 0 HA LEU A 58 20.091 11.259 8.340 1.00 13.14 H new ATOM 0 HB2 LEU A 58 18.004 9.461 7.148 1.00 52.25 H new ATOM 0 HB3 LEU A 58 19.493 9.703 6.256 1.00 52.25 H new ATOM 0 HG LEU A 58 19.404 7.662 7.730 1.00 45.12 H new ATOM 0 HD11 LEU A 58 21.712 7.933 8.548 1.00 71.41 H new ATOM 0 HD12 LEU A 58 21.517 8.570 6.898 1.00 71.41 H new ATOM 0 HD13 LEU A 58 21.596 9.688 8.280 1.00 71.41 H new ATOM 0 HD21 LEU A 58 19.828 7.983 10.137 1.00 33.14 H new ATOM 0 HD22 LEU A 58 19.638 9.741 9.932 1.00 33.14 H new ATOM 0 HD23 LEU A 58 18.255 8.657 9.648 1.00 33.14 H new ATOM 840 N THR A 59 17.960 12.702 6.370 1.00 63.43 N ATOM 841 CA THR A 59 17.809 13.673 5.295 1.00 22.11 C ATOM 842 C THR A 59 18.584 14.950 5.593 1.00 64.24 C ATOM 843 O THR A 59 18.639 15.404 6.737 1.00 72.41 O ATOM 844 CB THR A 59 16.327 14.028 5.062 1.00 73.42 C ATOM 845 OG1 THR A 59 15.806 14.722 6.202 1.00 35.32 O ATOM 846 CG2 THR A 59 15.504 12.775 4.805 1.00 74.22 C ATOM 0 H THR A 59 17.099 12.497 6.877 1.00 63.43 H new ATOM 0 HA THR A 59 18.211 13.210 4.394 1.00 22.11 H new ATOM 0 HB THR A 59 16.263 14.671 4.184 1.00 73.42 H new ATOM 0 HG1 THR A 59 14.865 14.946 6.047 1.00 35.32 H new ATOM 0 HG21 THR A 59 14.462 13.051 4.644 1.00 74.22 H new ATOM 0 HG22 THR A 59 15.885 12.264 3.921 1.00 74.22 H new ATOM 0 HG23 THR A 59 15.574 12.111 5.666 1.00 74.22 H new ATOM 854 N THR A 60 19.185 15.528 4.557 1.00 12.24 N ATOM 855 CA THR A 60 19.960 16.753 4.708 1.00 43.44 C ATOM 856 C THR A 60 19.961 17.566 3.419 1.00 34.10 C ATOM 857 O THR A 60 19.567 17.072 2.363 1.00 22.23 O ATOM 858 CB THR A 60 21.415 16.452 5.113 1.00 21.12 C ATOM 859 OG1 THR A 60 21.981 15.484 4.221 1.00 74.34 O ATOM 860 CG2 THR A 60 21.484 15.933 6.541 1.00 41.12 C ATOM 0 H THR A 60 19.150 15.167 3.604 1.00 12.24 H new ATOM 0 HA THR A 60 19.483 17.332 5.499 1.00 43.44 H new ATOM 0 HB THR A 60 21.985 17.379 5.053 1.00 21.12 H new ATOM 0 HG1 THR A 60 22.699 14.998 4.678 1.00 74.34 H new ATOM 0 HG21 THR A 60 22.522 15.728 6.804 1.00 41.12 H new ATOM 0 HG22 THR A 60 21.079 16.683 7.221 1.00 41.12 H new ATOM 0 HG23 THR A 60 20.901 15.016 6.623 1.00 41.12 H new ATOM 868 N GLU A 61 20.404 18.815 3.513 1.00 14.50 N ATOM 869 CA GLU A 61 20.456 19.697 2.352 1.00 24.54 C ATOM 870 C GLU A 61 21.582 19.288 1.407 1.00 54.52 C ATOM 871 O GLU A 61 21.637 19.733 0.261 1.00 63.11 O ATOM 872 CB GLU A 61 20.648 21.149 2.794 1.00 35.23 C ATOM 873 CG GLU A 61 21.864 21.360 3.680 1.00 25.21 C ATOM 874 CD GLU A 61 22.252 22.820 3.802 1.00 70.35 C ATOM 875 OE1 GLU A 61 21.401 23.625 4.236 1.00 33.30 O ATOM 876 OE2 GLU A 61 23.404 23.160 3.463 1.00 13.54 O1- ATOM 0 H GLU A 61 20.732 19.240 4.380 1.00 14.50 H new ATOM 0 HA GLU A 61 19.509 19.609 1.820 1.00 24.54 H new ATOM 0 HB2 GLU A 61 20.739 21.780 1.910 1.00 35.23 H new ATOM 0 HB3 GLU A 61 19.757 21.478 3.330 1.00 35.23 H new ATOM 0 HG2 GLU A 61 21.659 20.958 4.672 1.00 25.21 H new ATOM 0 HG3 GLU A 61 22.705 20.797 3.276 1.00 25.21 H new ATOM 883 N GLU A 62 22.479 18.438 1.899 1.00 72.32 N ATOM 884 CA GLU A 62 23.605 17.970 1.099 1.00 31.42 C ATOM 885 C GLU A 62 23.162 16.894 0.113 1.00 1.45 C ATOM 886 O GLU A 62 23.958 16.409 -0.691 1.00 71.41 O ATOM 887 CB GLU A 62 24.711 17.425 2.005 1.00 1.21 C ATOM 888 CG GLU A 62 25.814 18.428 2.292 1.00 10.03 C ATOM 889 CD GLU A 62 26.434 18.992 1.027 1.00 2.43 C ATOM 890 OE1 GLU A 62 26.600 18.223 0.056 1.00 32.10 O1- ATOM 891 OE2 GLU A 62 26.752 20.199 1.008 1.00 75.13 O ATOM 0 H GLU A 62 22.448 18.060 2.846 1.00 72.32 H new ATOM 0 HA GLU A 62 23.993 18.817 0.534 1.00 31.42 H new ATOM 0 HB2 GLU A 62 24.270 17.103 2.948 1.00 1.21 H new ATOM 0 HB3 GLU A 62 25.148 16.541 1.539 1.00 1.21 H new ATOM 0 HG2 GLU A 62 25.410 19.245 2.890 1.00 10.03 H new ATOM 0 HG3 GLU A 62 26.589 17.949 2.890 1.00 10.03 H new ATOM 898 N GLU A 63 21.887 16.525 0.182 1.00 1.55 N ATOM 899 CA GLU A 63 21.338 15.504 -0.703 1.00 2.15 C ATOM 900 C GLU A 63 21.340 15.983 -2.152 1.00 33.05 C ATOM 901 O GLU A 63 21.170 15.191 -3.080 1.00 33.04 O ATOM 902 CB GLU A 63 19.915 15.139 -0.277 1.00 4.33 C ATOM 903 CG GLU A 63 18.919 16.273 -0.446 1.00 54.34 C ATOM 904 CD GLU A 63 17.674 16.087 0.400 1.00 22.40 C ATOM 905 OE1 GLU A 63 17.698 15.230 1.308 1.00 61.14 O ATOM 906 OE2 GLU A 63 16.678 16.797 0.154 1.00 12.13 O1- ATOM 0 H GLU A 63 21.215 16.918 0.841 1.00 1.55 H new ATOM 0 HA GLU A 63 21.969 14.618 -0.630 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.579 14.282 -0.860 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.926 14.829 0.768 1.00 4.33 H new ATOM 0 HG2 GLU A 63 19.398 17.215 -0.179 1.00 54.34 H new ATOM 0 HG3 GLU A 63 18.633 16.347 -1.495 1.00 54.34 H new ATOM 913 N PHE A 64 21.533 17.285 -2.339 1.00 14.24 N ATOM 914 CA PHE A 64 21.555 17.871 -3.674 1.00 42.31 C ATOM 915 C PHE A 64 22.960 17.818 -4.268 1.00 11.50 C ATOM 916 O PHE A 64 23.486 18.826 -4.738 1.00 32.43 O ATOM 917 CB PHE A 64 21.064 19.318 -3.626 1.00 12.40 C ATOM 918 CG PHE A 64 20.308 19.736 -4.856 1.00 41.53 C ATOM 919 CD1 PHE A 64 20.792 19.435 -6.119 1.00 43.22 C ATOM 920 CD2 PHE A 64 19.113 20.430 -4.748 1.00 45.43 C ATOM 921 CE1 PHE A 64 20.099 19.817 -7.252 1.00 2.15 C ATOM 922 CE2 PHE A 64 18.416 20.815 -5.878 1.00 42.01 C ATOM 923 CZ PHE A 64 18.910 20.509 -7.131 1.00 13.33 C ATOM 0 H PHE A 64 21.676 17.954 -1.583 1.00 14.24 H new ATOM 0 HA PHE A 64 20.888 17.289 -4.310 1.00 42.31 H new ATOM 0 HB2 PHE A 64 20.423 19.447 -2.754 1.00 12.40 H new ATOM 0 HB3 PHE A 64 21.920 19.980 -3.493 1.00 12.40 H new ATOM 0 HD1 PHE A 64 21.722 18.895 -6.219 1.00 43.22 H new ATOM 0 HD2 PHE A 64 18.722 20.672 -3.771 1.00 45.43 H new ATOM 0 HE1 PHE A 64 20.487 19.575 -8.230 1.00 2.15 H new ATOM 0 HE2 PHE A 64 17.486 21.355 -5.781 1.00 42.01 H new ATOM 0 HZ PHE A 64 18.367 20.810 -8.015 1.00 13.33 H new ATOM 933 N VAL A 65 23.561 16.633 -4.244 1.00 14.35 N ATOM 934 CA VAL A 65 24.904 16.446 -4.780 1.00 53.13 C ATOM 935 C VAL A 65 24.884 15.546 -6.010 1.00 62.20 C ATOM 936 O VAL A 65 23.822 15.124 -6.464 1.00 61.02 O ATOM 937 CB VAL A 65 25.849 15.837 -3.727 1.00 52.31 C ATOM 938 CG1 VAL A 65 26.095 16.824 -2.595 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.281 14.531 -3.192 1.00 75.10 C ATOM 0 H VAL A 65 23.139 15.788 -3.859 1.00 14.35 H new ATOM 0 HA VAL A 65 25.273 17.432 -5.061 1.00 53.13 H new ATOM 0 HB VAL A 65 26.805 15.622 -4.204 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.765 16.376 -1.861 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.549 17.731 -2.995 1.00 53.55 H new ATOM 0 HG13 VAL A 65 25.148 17.073 -2.117 1.00 53.55 H new ATOM 0 HG21 VAL A 65 25.962 14.115 -2.449 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.311 14.718 -2.731 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.162 13.823 -4.012 1.00 75.10 H new ATOM 949 N GLU A 66 26.067 15.258 -6.544 1.00 2.51 N ATOM 950 CA GLU A 66 26.185 14.407 -7.723 1.00 74.43 C ATOM 951 C GLU A 66 25.392 13.117 -7.545 1.00 23.21 C ATOM 952 O GLU A 66 24.627 12.718 -8.422 1.00 2.04 O ATOM 953 CB GLU A 66 27.654 14.083 -8.000 1.00 20.43 C ATOM 954 CG GLU A 66 28.457 15.271 -8.500 1.00 34.14 C ATOM 955 CD GLU A 66 29.433 14.895 -9.597 1.00 41.54 C ATOM 956 OE1 GLU A 66 30.505 14.340 -9.275 1.00 71.33 O ATOM 957 OE2 GLU A 66 29.126 15.157 -10.779 1.00 10.42 O1- ATOM 0 H GLU A 66 26.956 15.601 -6.180 1.00 2.51 H new ATOM 0 HA GLU A 66 25.774 14.950 -8.574 1.00 74.43 H new ATOM 0 HB2 GLU A 66 28.112 13.705 -7.086 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.708 13.283 -8.738 1.00 20.43 H new ATOM 0 HG2 GLU A 66 27.775 16.035 -8.872 1.00 34.14 H new ATOM 0 HG3 GLU A 66 29.005 15.711 -7.667 1.00 34.14 H new ATOM 964 N GLY A 67 25.580 12.467 -6.400 1.00 71.33 N ATOM 965 CA GLY A 67 24.876 11.227 -6.126 1.00 61.34 C ATOM 966 C GLY A 67 25.713 10.250 -5.324 1.00 70.12 C ATOM 967 O GLY A 67 25.199 9.251 -4.819 1.00 52.23 O ATOM 0 H GLY A 67 26.207 12.777 -5.658 1.00 71.33 H new ATOM 0 HA2 GLY A 67 23.958 11.447 -5.581 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.584 10.763 -7.068 1.00 61.34 H new ATOM 971 N ILE A 68 27.005 10.536 -5.208 1.00 31.34 N ATOM 972 CA ILE A 68 27.915 9.675 -4.462 1.00 24.21 C ATOM 973 C ILE A 68 27.584 9.684 -2.974 1.00 41.21 C ATOM 974 O ILE A 68 27.609 10.733 -2.328 1.00 52.24 O ATOM 975 CB ILE A 68 29.382 10.105 -4.653 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.714 10.210 -6.143 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.315 9.122 -3.964 1.00 43.11 C ATOM 978 CD1 ILE A 68 31.050 10.864 -6.419 1.00 24.51 C ATOM 0 H ILE A 68 27.446 11.358 -5.621 1.00 31.34 H new ATOM 0 HA ILE A 68 27.787 8.666 -4.854 1.00 24.21 H new ATOM 0 HB ILE A 68 29.521 11.086 -4.199 1.00 2.11 H new ATOM 0 HG12 ILE A 68 29.710 9.211 -6.579 1.00 53.05 H new ATOM 0 HG13 ILE A 68 28.930 10.779 -6.643 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.348 9.439 -4.108 1.00 43.11 H new ATOM 0 HG22 ILE A 68 30.089 9.092 -2.898 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.177 8.129 -4.392 1.00 43.11 H new ATOM 0 HD11 ILE A 68 31.220 10.905 -7.495 1.00 24.51 H new ATOM 0 HD12 ILE A 68 31.051 11.875 -6.013 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.843 10.283 -5.948 1.00 24.51 H new ATOM 990 N TYR A 69 27.276 8.511 -2.434 1.00 43.21 N ATOM 991 CA TYR A 69 26.940 8.382 -1.021 1.00 1.03 C ATOM 992 C TYR A 69 27.545 7.113 -0.430 1.00 42.24 C ATOM 993 O TYR A 69 27.319 6.012 -0.931 1.00 25.42 O ATOM 994 CB TYR A 69 25.422 8.372 -0.836 1.00 41.35 C ATOM 995 CG TYR A 69 24.736 9.607 -1.377 1.00 60.55 C ATOM 996 CD1 TYR A 69 25.086 10.874 -0.926 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.741 9.507 -2.340 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.462 12.004 -1.417 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.112 10.632 -2.838 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.477 11.878 -2.373 1.00 22.23 C ATOM 1001 OH TYR A 69 22.855 13.002 -2.865 1.00 34.52 O ATOM 0 H TYR A 69 27.252 7.634 -2.954 1.00 43.21 H new ATOM 0 HA TYR A 69 27.358 9.240 -0.494 1.00 1.03 H new ATOM 0 HB2 TYR A 69 25.010 7.492 -1.331 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.195 8.276 0.226 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.859 10.977 -0.179 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.453 8.533 -2.706 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.744 12.981 -1.054 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.339 10.536 -3.587 1.00 73.53 H new ATOM 0 HH TYR A 69 22.186 12.740 -3.532 1.00 34.52 H new ATOM 1011 N LYS A 70 28.315 7.275 0.640 1.00 53.02 N ATOM 1012 CA LYS A 70 28.952 6.144 1.304 1.00 22.35 C ATOM 1013 C LYS A 70 28.340 5.906 2.681 1.00 44.40 C ATOM 1014 O LYS A 70 28.616 6.639 3.629 1.00 32.24 O ATOM 1015 CB LYS A 70 30.457 6.388 1.439 1.00 11.12 C ATOM 1016 CG LYS A 70 31.203 6.333 0.117 1.00 64.32 C ATOM 1017 CD LYS A 70 31.149 7.666 -0.609 1.00 64.11 C ATOM 1018 CE LYS A 70 32.487 8.388 -0.547 1.00 50.51 C ATOM 1019 NZ LYS A 70 33.428 7.903 -1.594 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.513 8.180 1.067 1.00 53.02 H new ATOM 0 HA LYS A 70 28.787 5.256 0.694 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.619 7.364 1.898 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.878 5.644 2.115 1.00 11.12 H new ATOM 0 HG2 LYS A 70 32.242 6.057 0.296 1.00 64.32 H new ATOM 0 HG3 LYS A 70 30.771 5.556 -0.514 1.00 64.32 H new ATOM 0 HD2 LYS A 70 30.870 7.504 -1.650 1.00 64.11 H new ATOM 0 HD3 LYS A 70 30.375 8.292 -0.165 1.00 64.11 H new ATOM 0 HE2 LYS A 70 32.328 9.459 -0.670 1.00 50.51 H new ATOM 0 HE3 LYS A 70 32.933 8.243 0.437 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 34.376 7.786 -1.182 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 33.096 6.989 -1.963 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 33.471 8.595 -2.370 1.00 34.32 H new ATOM 1033 N VAL A 71 27.507 4.875 2.782 1.00 65.12 N ATOM 1034 CA VAL A 71 26.857 4.537 4.043 1.00 43.30 C ATOM 1035 C VAL A 71 27.554 3.364 4.723 1.00 4.12 C ATOM 1036 O VAL A 71 27.941 2.396 4.069 1.00 32.12 O ATOM 1037 CB VAL A 71 25.372 4.187 3.833 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.728 3.782 5.151 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.632 5.360 3.207 1.00 13.51 C ATOM 0 H VAL A 71 27.266 4.259 2.005 1.00 65.12 H new ATOM 0 HA VAL A 71 26.928 5.417 4.682 1.00 43.30 H new ATOM 0 HB VAL A 71 25.309 3.340 3.149 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.679 3.538 4.984 1.00 72.13 H new ATOM 0 HG12 VAL A 71 25.243 2.910 5.555 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.800 4.607 5.860 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.584 5.095 3.066 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.702 6.227 3.864 1.00 13.51 H new ATOM 0 HG23 VAL A 71 25.079 5.599 2.242 1.00 13.51 H new ATOM 1049 N GLU A 72 27.708 3.458 6.041 1.00 21.11 N ATOM 1050 CA GLU A 72 28.359 2.403 6.809 1.00 23.21 C ATOM 1051 C GLU A 72 27.458 1.922 7.943 1.00 64.10 C ATOM 1052 O GLU A 72 26.833 2.726 8.636 1.00 4.11 O ATOM 1053 CB GLU A 72 29.689 2.901 7.376 1.00 23.23 C ATOM 1054 CG GLU A 72 29.548 3.660 8.685 1.00 11.22 C ATOM 1055 CD GLU A 72 30.679 4.643 8.915 1.00 2.12 C ATOM 1056 OE1 GLU A 72 31.055 5.350 7.956 1.00 13.44 O ATOM 1057 OE2 GLU A 72 31.187 4.707 10.054 1.00 15.25 O1- ATOM 0 H GLU A 72 27.391 4.252 6.597 1.00 21.11 H new ATOM 0 HA GLU A 72 28.550 1.565 6.139 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.350 2.048 7.530 1.00 23.23 H new ATOM 0 HB3 GLU A 72 30.168 3.548 6.641 1.00 23.23 H new ATOM 0 HG2 GLU A 72 28.599 4.196 8.689 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.516 2.949 9.511 1.00 11.22 H new ATOM 1064 N ILE A 73 27.398 0.608 8.127 1.00 64.22 N ATOM 1065 CA ILE A 73 26.575 0.020 9.176 1.00 54.32 C ATOM 1066 C ILE A 73 27.438 -0.643 10.245 1.00 14.42 C ATOM 1067 O ILE A 73 28.322 -1.442 9.936 1.00 11.03 O ATOM 1068 CB ILE A 73 25.594 -1.021 8.606 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.731 -0.394 7.510 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.721 -1.589 9.716 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.730 -1.181 6.217 1.00 1.34 C ATOM 0 H ILE A 73 27.910 -0.070 7.563 1.00 64.22 H new ATOM 0 HA ILE A 73 26.007 0.835 9.625 1.00 54.32 H new ATOM 0 HB ILE A 73 26.168 -1.838 8.167 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.707 -0.304 7.872 1.00 2.33 H new ATOM 0 HG13 ILE A 73 25.088 0.616 7.311 1.00 2.33 H new ATOM 0 HG21 ILE A 73 24.033 -2.323 9.298 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.351 -2.068 10.466 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.153 -0.783 10.181 1.00 24.31 H new ATOM 0 HD11 ILE A 73 24.098 -0.678 5.485 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.747 -1.249 5.832 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.344 -2.184 6.402 1.00 1.34 H new ATOM 1083 N ASP A 74 27.174 -0.306 11.503 1.00 44.44 N ATOM 1084 CA ASP A 74 27.924 -0.870 12.619 1.00 10.11 C ATOM 1085 C ASP A 74 27.183 -2.057 13.228 1.00 13.42 C ATOM 1086 O ASP A 74 26.286 -1.886 14.053 1.00 64.24 O ATOM 1087 CB ASP A 74 28.170 0.197 13.688 1.00 20.22 C ATOM 1088 CG ASP A 74 29.615 0.239 14.142 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.509 0.043 13.293 1.00 11.04 O ATOM 1090 OD2 ASP A 74 29.852 0.466 15.347 1.00 62.12 O1- ATOM 0 H ASP A 74 26.446 0.355 11.775 1.00 44.44 H new ATOM 0 HA ASP A 74 28.884 -1.220 12.239 1.00 10.11 H new ATOM 0 HB2 ASP A 74 27.887 1.173 13.294 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.528 0.001 14.547 1.00 20.22 H new ATOM 1095 N THR A 75 27.564 -3.261 12.814 1.00 2.21 N ATOM 1096 CA THR A 75 26.934 -4.476 13.316 1.00 43.11 C ATOM 1097 C THR A 75 27.557 -4.912 14.636 1.00 52.03 C ATOM 1098 O THR A 75 26.949 -5.657 15.406 1.00 42.55 O ATOM 1099 CB THR A 75 27.050 -5.629 12.301 1.00 63.11 C ATOM 1100 OG1 THR A 75 28.405 -6.091 12.237 1.00 13.12 O ATOM 1101 CG2 THR A 75 26.596 -5.182 10.920 1.00 71.34 C ATOM 0 H THR A 75 28.306 -3.421 12.132 1.00 2.21 H new ATOM 0 HA THR A 75 25.880 -4.245 13.473 1.00 43.11 H new ATOM 0 HB THR A 75 26.404 -6.442 12.633 1.00 63.11 H new ATOM 0 HG1 THR A 75 28.470 -6.825 11.591 1.00 13.12 H new ATOM 0 HG21 THR A 75 26.687 -6.013 10.220 1.00 71.34 H new ATOM 0 HG22 THR A 75 25.556 -4.858 10.966 1.00 71.34 H new ATOM 0 HG23 THR A 75 27.219 -4.354 10.583 1.00 71.34 H new ATOM 1109 N LYS A 76 28.774 -4.445 14.895 1.00 11.51 N ATOM 1110 CA LYS A 76 29.480 -4.784 16.125 1.00 2.32 C ATOM 1111 C LYS A 76 28.599 -4.532 17.345 1.00 63.31 C ATOM 1112 O LYS A 76 28.589 -5.323 18.289 1.00 10.13 O ATOM 1113 CB LYS A 76 30.771 -3.971 16.238 1.00 70.33 C ATOM 1114 CG LYS A 76 30.543 -2.469 16.262 1.00 30.31 C ATOM 1115 CD LYS A 76 30.454 -1.941 17.684 1.00 0.13 C ATOM 1116 CE LYS A 76 31.832 -1.648 18.257 1.00 10.32 C ATOM 1117 NZ LYS A 76 32.291 -0.271 17.921 1.00 64.52 N1+ ATOM 0 H LYS A 76 29.292 -3.830 14.268 1.00 11.51 H new ATOM 0 HA LYS A 76 29.729 -5.845 16.091 1.00 2.32 H new ATOM 0 HB2 LYS A 76 31.297 -4.265 17.146 1.00 70.33 H new ATOM 0 HB3 LYS A 76 31.421 -4.218 15.399 1.00 70.33 H new ATOM 0 HG2 LYS A 76 31.357 -1.968 15.737 1.00 30.31 H new ATOM 0 HG3 LYS A 76 29.624 -2.231 15.726 1.00 30.31 H new ATOM 0 HD2 LYS A 76 29.852 -1.032 17.699 1.00 0.13 H new ATOM 0 HD3 LYS A 76 29.945 -2.671 18.313 1.00 0.13 H new ATOM 0 HE2 LYS A 76 31.808 -1.769 19.340 1.00 10.32 H new ATOM 0 HE3 LYS A 76 32.548 -2.374 17.871 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 33.234 -0.110 18.329 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 32.338 -0.163 16.888 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 31.622 0.423 18.311 1.00 64.52 H new ATOM 1131 N SER A 77 27.860 -3.428 17.317 1.00 12.32 N ATOM 1132 CA SER A 77 26.978 -3.072 18.423 1.00 40.54 C ATOM 1133 C SER A 77 25.583 -3.652 18.212 1.00 72.24 C ATOM 1134 O SER A 77 24.766 -3.682 19.133 1.00 3.31 O ATOM 1135 CB SER A 77 26.894 -1.551 18.566 1.00 24.54 C ATOM 1136 OG SER A 77 27.619 -1.104 19.698 1.00 62.42 O ATOM 0 H SER A 77 27.854 -2.765 16.542 1.00 12.32 H new ATOM 0 HA SER A 77 27.394 -3.493 19.338 1.00 40.54 H new ATOM 0 HB2 SER A 77 27.288 -1.076 17.667 1.00 24.54 H new ATOM 0 HB3 SER A 77 25.851 -1.248 18.656 1.00 24.54 H new ATOM 0 HG SER A 77 27.551 -0.129 19.766 1.00 62.42 H new ATOM 1142 N TYR A 78 25.317 -4.111 16.995 1.00 33.14 N ATOM 1143 CA TYR A 78 24.020 -4.689 16.662 1.00 43.04 C ATOM 1144 C TYR A 78 23.910 -6.118 17.185 1.00 22.45 C ATOM 1145 O TYR A 78 22.871 -6.520 17.708 1.00 1.02 O ATOM 1146 CB TYR A 78 23.803 -4.668 15.148 1.00 4.32 C ATOM 1147 CG TYR A 78 22.493 -5.287 14.716 1.00 61.13 C ATOM 1148 CD1 TYR A 78 21.279 -4.746 15.121 1.00 50.52 C ATOM 1149 CD2 TYR A 78 22.469 -6.413 13.902 1.00 52.42 C ATOM 1150 CE1 TYR A 78 20.080 -5.308 14.729 1.00 70.55 C ATOM 1151 CE2 TYR A 78 21.274 -6.981 13.504 1.00 61.52 C ATOM 1152 CZ TYR A 78 20.083 -6.426 13.920 1.00 70.05 C ATOM 1153 OH TYR A 78 18.890 -6.987 13.527 1.00 34.34 O ATOM 0 H TYR A 78 25.982 -4.094 16.222 1.00 33.14 H new ATOM 0 HA TYR A 78 23.248 -4.087 17.141 1.00 43.04 H new ATOM 0 HB2 TYR A 78 23.841 -3.636 14.798 1.00 4.32 H new ATOM 0 HB3 TYR A 78 24.623 -5.199 14.664 1.00 4.32 H new ATOM 0 HD1 TYR A 78 21.273 -3.871 15.753 1.00 50.52 H new ATOM 0 HD2 TYR A 78 23.400 -6.852 13.575 1.00 52.42 H new ATOM 0 HE1 TYR A 78 19.145 -4.875 15.054 1.00 70.55 H new ATOM 0 HE2 TYR A 78 21.273 -7.855 12.870 1.00 61.52 H new ATOM 0 HH TYR A 78 18.856 -7.030 12.549 1.00 34.34 H new ATOM 1163 N TRP A 79 24.988 -6.879 17.038 1.00 42.11 N ATOM 1164 CA TRP A 79 25.013 -8.264 17.495 1.00 34.33 C ATOM 1165 C TRP A 79 25.144 -8.333 19.012 1.00 45.25 C ATOM 1166 O TRP A 79 24.759 -9.324 19.633 1.00 50.44 O ATOM 1167 CB TRP A 79 26.170 -9.018 16.836 1.00 11.24 C ATOM 1168 CG TRP A 79 27.498 -8.746 17.476 1.00 33.12 C ATOM 1169 CD1 TRP A 79 28.459 -7.882 17.033 1.00 13.21 C ATOM 1170 CD2 TRP A 79 28.011 -9.341 18.672 1.00 23.44 C ATOM 1171 NE1 TRP A 79 29.539 -7.905 17.882 1.00 13.32 N ATOM 1172 CE2 TRP A 79 29.288 -8.792 18.897 1.00 40.35 C ATOM 1173 CE3 TRP A 79 27.515 -10.283 19.577 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 30.074 -9.155 19.987 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 28.296 -10.644 20.659 1.00 22.15 C ATOM 1176 CH2 TRP A 79 29.564 -10.080 20.857 1.00 55.42 C ATOM 0 H TRP A 79 25.856 -6.561 16.606 1.00 42.11 H new ATOM 0 HA TRP A 79 24.072 -8.733 17.208 1.00 34.33 H new ATOM 0 HB2 TRP A 79 25.967 -10.088 16.878 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.220 -8.744 15.782 1.00 11.24 H new ATOM 0 HD1 TRP A 79 28.381 -7.271 16.146 1.00 13.21 H new ATOM 0 HE1 TRP A 79 30.389 -7.352 17.775 1.00 13.32 H new ATOM 0 HE3 TRP A 79 26.538 -10.721 19.434 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 31.051 -8.722 20.141 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 27.923 -11.373 21.364 1.00 22.15 H new ATOM 0 HH2 TRP A 79 30.150 -10.381 21.713 1.00 55.42 H new ATOM 1187 N LYS A 80 25.687 -7.276 19.604 1.00 50.41 N ATOM 1188 CA LYS A 80 25.866 -7.216 21.050 1.00 54.32 C ATOM 1189 C LYS A 80 24.560 -6.849 21.746 1.00 54.00 C ATOM 1190 O LYS A 80 24.393 -7.091 22.941 1.00 50.04 O ATOM 1191 CB LYS A 80 26.951 -6.197 21.409 1.00 61.21 C ATOM 1192 CG LYS A 80 26.422 -4.784 21.585 1.00 73.40 C ATOM 1193 CD LYS A 80 26.152 -4.467 23.046 1.00 71.12 C ATOM 1194 CE LYS A 80 27.413 -4.007 23.760 1.00 24.41 C ATOM 1195 NZ LYS A 80 27.256 -4.039 25.240 1.00 51.34 N1+ ATOM 0 H LYS A 80 26.011 -6.448 19.105 1.00 50.41 H new ATOM 0 HA LYS A 80 26.175 -8.203 21.393 1.00 54.32 H new ATOM 0 HB2 LYS A 80 27.441 -6.510 22.331 1.00 61.21 H new ATOM 0 HB3 LYS A 80 27.711 -6.197 20.628 1.00 61.21 H new ATOM 0 HG2 LYS A 80 27.144 -4.072 21.185 1.00 73.40 H new ATOM 0 HG3 LYS A 80 25.504 -4.664 21.010 1.00 73.40 H new ATOM 0 HD2 LYS A 80 25.390 -3.691 23.116 1.00 71.12 H new ATOM 0 HD3 LYS A 80 25.753 -5.351 23.543 1.00 71.12 H new ATOM 0 HE2 LYS A 80 28.248 -4.645 23.470 1.00 24.41 H new ATOM 0 HE3 LYS A 80 27.661 -2.994 23.443 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 28.137 -3.718 25.690 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 26.476 -3.411 25.520 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 27.045 -5.010 25.546 1.00 51.34 H new ATOM 1209 N ALA A 81 23.635 -6.268 20.989 1.00 25.51 N ATOM 1210 CA ALA A 81 22.342 -5.872 21.533 1.00 23.43 C ATOM 1211 C ALA A 81 21.331 -7.008 21.429 1.00 74.11 C ATOM 1212 O ALA A 81 20.606 -7.297 22.381 1.00 11.21 O ATOM 1213 CB ALA A 81 21.823 -4.634 20.814 1.00 4.11 C ATOM 0 H ALA A 81 23.757 -6.061 19.998 1.00 25.51 H new ATOM 0 HA ALA A 81 22.477 -5.636 22.589 1.00 23.43 H new ATOM 0 HB1 ALA A 81 20.857 -4.350 21.231 1.00 4.11 H new ATOM 0 HB2 ALA A 81 22.530 -3.814 20.944 1.00 4.11 H new ATOM 0 HB3 ALA A 81 21.711 -4.851 19.752 1.00 4.11 H new ATOM 1219 N LEU A 82 21.288 -7.650 20.267 1.00 72.45 N ATOM 1220 CA LEU A 82 20.365 -8.757 20.038 1.00 71.44 C ATOM 1221 C LEU A 82 21.059 -10.099 20.251 1.00 25.04 C ATOM 1222 O LEU A 82 20.474 -11.155 20.018 1.00 54.03 O ATOM 1223 CB LEU A 82 19.793 -8.685 18.621 1.00 34.13 C ATOM 1224 CG LEU A 82 19.024 -7.410 18.272 1.00 12.53 C ATOM 1225 CD1 LEU A 82 18.174 -6.960 19.451 1.00 33.35 C ATOM 1226 CD2 LEU A 82 19.983 -6.307 17.852 1.00 33.50 C ATOM 0 H LEU A 82 21.881 -7.424 19.469 1.00 72.45 H new ATOM 0 HA LEU A 82 19.550 -8.673 20.757 1.00 71.44 H new ATOM 0 HB2 LEU A 82 20.614 -8.795 17.913 1.00 34.13 H new ATOM 0 HB3 LEU A 82 19.129 -9.537 18.475 1.00 34.13 H new ATOM 0 HG LEU A 82 18.361 -7.626 17.434 1.00 12.53 H new ATOM 0 HD11 LEU A 82 17.634 -6.051 19.184 1.00 33.35 H new ATOM 0 HD12 LEU A 82 17.461 -7.744 19.706 1.00 33.35 H new ATOM 0 HD13 LEU A 82 18.817 -6.761 20.308 1.00 33.35 H new ATOM 0 HD21 LEU A 82 19.418 -5.407 17.607 1.00 33.50 H new ATOM 0 HD22 LEU A 82 20.671 -6.092 18.670 1.00 33.50 H new ATOM 0 HD23 LEU A 82 20.548 -6.630 16.978 1.00 33.50 H new ATOM 1238 N GLY A 83 22.311 -10.048 20.697 1.00 74.52 N ATOM 1239 CA GLY A 83 23.063 -11.265 20.936 1.00 61.44 C ATOM 1240 C GLY A 83 23.186 -12.123 19.692 1.00 64.05 C ATOM 1241 O GLY A 83 22.966 -13.334 19.742 1.00 12.21 O ATOM 0 H GLY A 83 22.817 -9.185 20.897 1.00 74.52 H new ATOM 0 HA2 GLY A 83 24.059 -11.008 21.297 1.00 61.44 H new ATOM 0 HA3 GLY A 83 22.577 -11.840 21.724 1.00 61.44 H new ATOM 1245 N ILE A 84 23.538 -11.496 18.576 1.00 55.22 N ATOM 1246 CA ILE A 84 23.689 -12.211 17.314 1.00 13.14 C ATOM 1247 C ILE A 84 25.116 -12.724 17.140 1.00 55.44 C ATOM 1248 O ILE A 84 26.050 -12.209 17.753 1.00 14.52 O ATOM 1249 CB ILE A 84 23.328 -11.318 16.114 1.00 32.24 C ATOM 1250 CG1 ILE A 84 22.026 -10.561 16.387 1.00 51.22 C ATOM 1251 CG2 ILE A 84 23.204 -12.154 14.849 1.00 0.21 C ATOM 1252 CD1 ILE A 84 20.843 -11.467 16.643 1.00 63.44 C ATOM 0 H ILE A 84 23.724 -10.495 18.519 1.00 55.22 H new ATOM 0 HA ILE A 84 23.002 -13.057 17.347 1.00 13.14 H new ATOM 0 HB ILE A 84 24.127 -10.591 15.969 1.00 32.24 H new ATOM 0 HG12 ILE A 84 22.168 -9.910 17.249 1.00 51.22 H new ATOM 0 HG13 ILE A 84 21.803 -9.918 15.535 1.00 51.22 H new ATOM 0 HG21 ILE A 84 22.948 -11.508 14.009 1.00 0.21 H new ATOM 0 HG22 ILE A 84 24.152 -12.652 14.648 1.00 0.21 H new ATOM 0 HG23 ILE A 84 22.422 -12.902 14.982 1.00 0.21 H new ATOM 0 HD11 ILE A 84 19.955 -10.862 16.829 1.00 63.44 H new ATOM 0 HD12 ILE A 84 20.675 -12.101 15.772 1.00 63.44 H new ATOM 0 HD13 ILE A 84 21.045 -12.092 17.513 1.00 63.44 H new ATOM 1264 N SER A 85 25.275 -13.741 16.299 1.00 21.13 N ATOM 1265 CA SER A 85 26.587 -14.326 16.046 1.00 50.52 C ATOM 1266 C SER A 85 27.615 -13.240 15.743 1.00 44.03 C ATOM 1267 O SER A 85 27.289 -12.161 15.250 1.00 31.33 O ATOM 1268 CB SER A 85 26.512 -15.313 14.879 1.00 54.22 C ATOM 1269 OG SER A 85 27.249 -14.842 13.765 1.00 53.22 O ATOM 0 H SER A 85 24.512 -14.177 15.781 1.00 21.13 H new ATOM 0 HA SER A 85 26.900 -14.859 16.944 1.00 50.52 H new ATOM 0 HB2 SER A 85 26.900 -16.282 15.193 1.00 54.22 H new ATOM 0 HB3 SER A 85 25.471 -15.464 14.593 1.00 54.22 H new ATOM 0 HG SER A 85 27.789 -15.573 13.398 1.00 53.22 H new ATOM 1275 N PRO A 86 28.889 -13.532 16.046 1.00 0.11 N ATOM 1276 CA PRO A 86 29.992 -12.596 15.816 1.00 54.45 C ATOM 1277 C PRO A 86 30.287 -12.401 14.332 1.00 45.13 C ATOM 1278 O PRO A 86 30.006 -13.278 13.515 1.00 52.05 O ATOM 1279 CB PRO A 86 31.179 -13.266 16.513 1.00 32.51 C ATOM 1280 CG PRO A 86 30.846 -14.718 16.514 1.00 54.43 C ATOM 1281 CD PRO A 86 29.350 -14.801 16.637 1.00 54.42 C ATOM 0 HA PRO A 86 29.765 -11.599 16.195 1.00 54.45 H new ATOM 0 HB2 PRO A 86 32.111 -13.074 15.981 1.00 32.51 H new ATOM 0 HB3 PRO A 86 31.307 -12.888 17.527 1.00 32.51 H new ATOM 0 HG2 PRO A 86 31.189 -15.197 15.597 1.00 54.43 H new ATOM 0 HG3 PRO A 86 31.334 -15.230 17.343 1.00 54.43 H new ATOM 0 HD2 PRO A 86 28.950 -15.662 16.102 1.00 54.42 H new ATOM 0 HD3 PRO A 86 29.037 -14.898 17.677 1.00 54.42 H new ATOM 1289 N MET A 87 30.854 -11.249 13.992 1.00 52.20 N ATOM 1290 CA MET A 87 31.188 -10.941 12.606 1.00 11.03 C ATOM 1291 C MET A 87 31.834 -9.564 12.495 1.00 60.21 C ATOM 1292 O MET A 87 31.297 -8.574 12.992 1.00 33.13 O ATOM 1293 CB MET A 87 29.934 -11.000 11.731 1.00 52.31 C ATOM 1294 CG MET A 87 30.142 -10.444 10.332 1.00 30.23 C ATOM 1295 SD MET A 87 31.541 -11.202 9.484 1.00 71.42 S ATOM 1296 CE MET A 87 31.273 -12.931 9.868 1.00 23.32 C ATOM 0 H MET A 87 31.092 -10.513 14.657 1.00 52.20 H new ATOM 0 HA MET A 87 31.902 -11.687 12.257 1.00 11.03 H new ATOM 0 HB2 MET A 87 29.602 -12.035 11.656 1.00 52.31 H new ATOM 0 HB3 MET A 87 29.134 -10.443 12.219 1.00 52.31 H new ATOM 0 HG2 MET A 87 29.237 -10.601 9.745 1.00 30.23 H new ATOM 0 HG3 MET A 87 30.299 -9.367 10.393 1.00 30.23 H new ATOM 0 HE1 MET A 87 32.234 -13.436 9.960 1.00 23.32 H new ATOM 0 HE2 MET A 87 30.727 -13.015 10.808 1.00 23.32 H new ATOM 0 HE3 MET A 87 30.694 -13.396 9.070 1.00 23.32 H new ATOM 1306 N HIS A 88 32.990 -9.508 11.841 1.00 53.41 N ATOM 1307 CA HIS A 88 33.710 -8.252 11.665 1.00 33.42 C ATOM 1308 C HIS A 88 33.703 -7.823 10.202 1.00 73.05 C ATOM 1309 O HIS A 88 34.758 -7.687 9.581 1.00 73.13 O ATOM 1310 CB HIS A 88 35.149 -8.389 12.162 1.00 42.20 C ATOM 1311 CG HIS A 88 35.260 -8.498 13.652 1.00 1.22 C ATOM 1312 ND1 HIS A 88 35.392 -7.403 14.480 1.00 11.32 N ATOM 1313 CD2 HIS A 88 35.256 -9.583 14.463 1.00 14.24 C ATOM 1314 CE1 HIS A 88 35.466 -7.809 15.735 1.00 62.14 C ATOM 1315 NE2 HIS A 88 35.386 -9.127 15.753 1.00 62.24 N ATOM 0 H HIS A 88 33.448 -10.318 11.424 1.00 53.41 H new ATOM 0 HA HIS A 88 33.203 -7.486 12.253 1.00 33.42 H new ATOM 0 HB2 HIS A 88 35.600 -9.271 11.707 1.00 42.20 H new ATOM 0 HB3 HIS A 88 35.725 -7.527 11.825 1.00 42.20 H new ATOM 0 HD2 HIS A 88 35.167 -10.614 14.154 1.00 14.24 H new ATOM 0 HE1 HIS A 88 35.574 -7.171 16.600 1.00 62.14 H new ATOM 0 HE2 HIS A 88 35.416 -9.712 16.588 1.00 62.24 H new ATOM 1323 N GLU A 89 32.510 -7.611 9.656 1.00 70.23 N ATOM 1324 CA GLU A 89 32.368 -7.199 8.264 1.00 14.34 C ATOM 1325 C GLU A 89 31.273 -6.145 8.118 1.00 75.32 C ATOM 1326 O GLU A 89 30.245 -6.387 7.484 1.00 72.42 O ATOM 1327 CB GLU A 89 32.049 -8.408 7.381 1.00 53.11 C ATOM 1328 CG GLU A 89 33.229 -9.346 7.184 1.00 61.24 C ATOM 1329 CD GLU A 89 32.853 -10.605 6.428 1.00 1.31 C ATOM 1330 OE1 GLU A 89 31.735 -10.651 5.872 1.00 4.11 O ATOM 1331 OE2 GLU A 89 33.675 -11.544 6.392 1.00 3.31 O1- ATOM 0 H GLU A 89 31.627 -7.718 10.156 1.00 70.23 H new ATOM 0 HA GLU A 89 33.314 -6.763 7.942 1.00 14.34 H new ATOM 0 HB2 GLU A 89 31.224 -8.964 7.825 1.00 53.11 H new ATOM 0 HB3 GLU A 89 31.709 -8.056 6.407 1.00 53.11 H new ATOM 0 HG2 GLU A 89 34.017 -8.823 6.642 1.00 61.24 H new ATOM 0 HG3 GLU A 89 33.638 -9.619 8.157 1.00 61.24 H new ATOM 1338 N HIS A 90 31.503 -4.977 8.707 1.00 74.52 N ATOM 1339 CA HIS A 90 30.537 -3.886 8.643 1.00 55.24 C ATOM 1340 C HIS A 90 30.127 -3.608 7.200 1.00 4.33 C ATOM 1341 O HIS A 90 30.931 -3.138 6.395 1.00 31.43 O ATOM 1342 CB HIS A 90 31.123 -2.621 9.272 1.00 13.21 C ATOM 1343 CG HIS A 90 32.448 -2.224 8.697 1.00 63.34 C ATOM 1344 ND1 HIS A 90 33.643 -2.773 9.112 1.00 35.31 N ATOM 1345 CD2 HIS A 90 32.763 -1.328 7.732 1.00 64.40 C ATOM 1346 CE1 HIS A 90 34.635 -2.231 8.428 1.00 72.11 C ATOM 1347 NE2 HIS A 90 34.127 -1.351 7.584 1.00 23.52 N ATOM 0 H HIS A 90 32.349 -4.761 9.234 1.00 74.52 H new ATOM 0 HA HIS A 90 29.651 -4.184 9.203 1.00 55.24 H new ATOM 0 HB2 HIS A 90 30.418 -1.800 9.140 1.00 13.21 H new ATOM 0 HB3 HIS A 90 31.234 -2.777 10.345 1.00 13.21 H new ATOM 0 HD2 HIS A 90 32.070 -0.710 7.181 1.00 64.40 H new ATOM 0 HE1 HIS A 90 35.683 -2.467 8.540 1.00 72.11 H new ATOM 0 HE2 HIS A 90 34.662 -0.781 6.929 1.00 23.52 H new ATOM 1355 N ALA A 91 28.871 -3.902 6.880 1.00 73.52 N ATOM 1356 CA ALA A 91 28.355 -3.683 5.535 1.00 22.23 C ATOM 1357 C ALA A 91 28.247 -2.194 5.223 1.00 61.21 C ATOM 1358 O ALA A 91 27.938 -1.389 6.100 1.00 23.03 O ATOM 1359 CB ALA A 91 26.999 -4.356 5.374 1.00 3.52 C ATOM 0 H ALA A 91 28.192 -4.292 7.534 1.00 73.52 H new ATOM 0 HA ALA A 91 29.056 -4.126 4.828 1.00 22.23 H new ATOM 0 HB1 ALA A 91 26.625 -4.184 4.365 1.00 3.52 H new ATOM 0 HB2 ALA A 91 27.102 -5.427 5.546 1.00 3.52 H new ATOM 0 HB3 ALA A 91 26.298 -3.939 6.096 1.00 3.52 H new ATOM 1365 N GLU A 92 28.508 -1.837 3.970 1.00 73.32 N ATOM 1366 CA GLU A 92 28.442 -0.443 3.545 1.00 2.25 C ATOM 1367 C GLU A 92 27.908 -0.334 2.119 1.00 25.30 C ATOM 1368 O GLU A 92 27.852 -1.322 1.388 1.00 13.50 O ATOM 1369 CB GLU A 92 29.825 0.206 3.634 1.00 43.31 C ATOM 1370 CG GLU A 92 30.938 -0.651 3.055 1.00 22.11 C ATOM 1371 CD GLU A 92 32.302 -0.001 3.183 1.00 21.31 C ATOM 1372 OE1 GLU A 92 32.507 0.763 4.150 1.00 61.05 O ATOM 1373 OE2 GLU A 92 33.164 -0.257 2.316 1.00 32.20 O1- ATOM 0 H GLU A 92 28.767 -2.492 3.232 1.00 73.32 H new ATOM 0 HA GLU A 92 27.758 0.082 4.212 1.00 2.25 H new ATOM 0 HB2 GLU A 92 29.803 1.161 3.109 1.00 43.31 H new ATOM 0 HB3 GLU A 92 30.050 0.421 4.679 1.00 43.31 H new ATOM 0 HG2 GLU A 92 30.950 -1.615 3.563 1.00 22.11 H new ATOM 0 HG3 GLU A 92 30.731 -0.847 2.003 1.00 22.11 H new ATOM 1380 N VAL A 93 27.514 0.875 1.732 1.00 70.21 N ATOM 1381 CA VAL A 93 26.985 1.116 0.396 1.00 61.32 C ATOM 1382 C VAL A 93 27.703 2.278 -0.281 1.00 43.24 C ATOM 1383 O VAL A 93 27.538 3.434 0.109 1.00 3.54 O ATOM 1384 CB VAL A 93 25.474 1.414 0.436 1.00 40.32 C ATOM 1385 CG1 VAL A 93 24.950 1.711 -0.962 1.00 24.13 C ATOM 1386 CG2 VAL A 93 24.717 0.251 1.061 1.00 41.15 C ATOM 0 H VAL A 93 27.551 1.703 2.326 1.00 70.21 H new ATOM 0 HA VAL A 93 27.154 0.205 -0.179 1.00 61.32 H new ATOM 0 HB VAL A 93 25.313 2.297 1.054 1.00 40.32 H new ATOM 0 HG11 VAL A 93 23.881 1.919 -0.913 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.470 2.578 -1.369 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.123 0.849 -1.606 1.00 24.13 H new ATOM 0 HG21 VAL A 93 23.651 0.479 1.081 1.00 41.15 H new ATOM 0 HG22 VAL A 93 24.884 -0.651 0.472 1.00 41.15 H new ATOM 0 HG23 VAL A 93 25.073 0.090 2.079 1.00 41.15 H new ATOM 1396 N VAL A 94 28.501 1.963 -1.295 1.00 55.22 N ATOM 1397 CA VAL A 94 29.246 2.981 -2.027 1.00 54.44 C ATOM 1398 C VAL A 94 28.872 2.978 -3.505 1.00 72.33 C ATOM 1399 O VAL A 94 29.221 2.055 -4.243 1.00 31.22 O ATOM 1400 CB VAL A 94 30.765 2.772 -1.891 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.523 3.861 -2.636 1.00 44.32 C ATOM 1402 CG2 VAL A 94 31.169 2.737 -0.425 1.00 32.44 C ATOM 0 H VAL A 94 28.649 1.011 -1.629 1.00 55.22 H new ATOM 0 HA VAL A 94 28.980 3.944 -1.590 1.00 54.44 H new ATOM 0 HB VAL A 94 31.023 1.812 -2.338 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.595 3.697 -2.529 1.00 44.32 H new ATOM 0 HG12 VAL A 94 31.256 3.833 -3.692 1.00 44.32 H new ATOM 0 HG13 VAL A 94 31.262 4.835 -2.222 1.00 44.32 H new ATOM 0 HG21 VAL A 94 32.246 2.588 -0.348 1.00 32.44 H new ATOM 0 HG22 VAL A 94 30.898 3.680 0.050 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.653 1.917 0.075 1.00 32.44 H new ATOM 1412 N PHE A 95 28.162 4.016 -3.933 1.00 74.21 N ATOM 1413 CA PHE A 95 27.741 4.133 -5.324 1.00 3.42 C ATOM 1414 C PHE A 95 28.153 5.482 -5.906 1.00 14.12 C ATOM 1415 O PHE A 95 28.319 6.461 -5.178 1.00 41.52 O ATOM 1416 CB PHE A 95 26.225 3.959 -5.437 1.00 1.11 C ATOM 1417 CG PHE A 95 25.795 2.527 -5.579 1.00 21.10 C ATOM 1418 CD1 PHE A 95 25.810 1.904 -6.817 1.00 70.40 C ATOM 1419 CD2 PHE A 95 25.377 1.802 -4.474 1.00 44.02 C ATOM 1420 CE1 PHE A 95 25.414 0.587 -6.950 1.00 25.12 C ATOM 1421 CE2 PHE A 95 24.980 0.484 -4.601 1.00 24.42 C ATOM 1422 CZ PHE A 95 25.000 -0.125 -5.842 1.00 43.33 C ATOM 0 H PHE A 95 27.866 4.789 -3.336 1.00 74.21 H new ATOM 0 HA PHE A 95 28.234 3.345 -5.893 1.00 3.42 H new ATOM 0 HB2 PHE A 95 25.751 4.386 -4.553 1.00 1.11 H new ATOM 0 HB3 PHE A 95 25.865 4.525 -6.296 1.00 1.11 H new ATOM 0 HD1 PHE A 95 26.135 2.454 -7.688 1.00 70.40 H new ATOM 0 HD2 PHE A 95 25.361 2.273 -3.502 1.00 44.02 H new ATOM 0 HE1 PHE A 95 25.428 0.114 -7.921 1.00 25.12 H new ATOM 0 HE2 PHE A 95 24.655 -0.069 -3.732 1.00 24.42 H new ATOM 0 HZ PHE A 95 24.693 -1.155 -5.944 1.00 43.33 H new ATOM 1432 N THR A 96 28.319 5.526 -7.224 1.00 44.40 N ATOM 1433 CA THR A 96 28.714 6.752 -7.904 1.00 34.31 C ATOM 1434 C THR A 96 27.657 7.187 -8.914 1.00 25.23 C ATOM 1435 O THR A 96 27.036 6.353 -9.573 1.00 11.30 O ATOM 1436 CB THR A 96 30.062 6.584 -8.630 1.00 71.34 C ATOM 1437 OG1 THR A 96 30.400 7.790 -9.322 1.00 53.43 O ATOM 1438 CG2 THR A 96 30.004 5.427 -9.616 1.00 41.12 C ATOM 0 H THR A 96 28.186 4.725 -7.842 1.00 44.40 H new ATOM 0 HA THR A 96 28.817 7.519 -7.136 1.00 34.31 H new ATOM 0 HB THR A 96 30.827 6.368 -7.884 1.00 71.34 H new ATOM 0 HG1 THR A 96 31.259 7.675 -9.779 1.00 53.43 H new ATOM 0 HG21 THR A 96 30.967 5.327 -10.117 1.00 41.12 H new ATOM 0 HG22 THR A 96 29.776 4.505 -9.082 1.00 41.12 H new ATOM 0 HG23 THR A 96 29.228 5.619 -10.357 1.00 41.12 H new ATOM 1446 N ALA A 97 27.458 8.495 -9.030 1.00 2.00 N ATOM 1447 CA ALA A 97 26.479 9.039 -9.962 1.00 54.14 C ATOM 1448 C ALA A 97 27.036 9.086 -11.380 1.00 75.12 C ATOM 1449 O ALA A 97 28.250 9.076 -11.580 1.00 3.52 O ATOM 1450 CB ALA A 97 26.043 10.428 -9.519 1.00 3.33 C ATOM 0 H ALA A 97 27.962 9.198 -8.490 1.00 2.00 H new ATOM 0 HA ALA A 97 25.611 8.380 -9.963 1.00 54.14 H new ATOM 0 HB1 ALA A 97 25.312 10.822 -10.225 1.00 3.33 H new ATOM 0 HB2 ALA A 97 25.595 10.370 -8.527 1.00 3.33 H new ATOM 0 HB3 ALA A 97 26.909 11.089 -9.488 1.00 3.33 H new ATOM 1456 N ASN A 98 26.141 9.136 -12.362 1.00 61.44 N ATOM 1457 CA ASN A 98 26.544 9.182 -13.763 1.00 5.53 C ATOM 1458 C ASN A 98 27.294 7.913 -14.155 1.00 5.21 C ATOM 1459 O ASN A 98 28.259 7.959 -14.918 1.00 32.32 O ATOM 1460 CB ASN A 98 27.424 10.407 -14.021 1.00 33.23 C ATOM 1461 CG ASN A 98 27.401 10.838 -15.476 1.00 11.24 C ATOM 1462 OD1 ASN A 98 26.343 10.885 -16.104 1.00 54.42 O ATOM 1463 ND2 ASN A 98 28.570 11.156 -16.016 1.00 42.15 N ATOM 0 H ASN A 98 25.132 9.146 -12.213 1.00 61.44 H new ATOM 0 HA ASN A 98 25.643 9.254 -14.373 1.00 5.53 H new ATOM 0 HB2 ASN A 98 27.086 11.233 -13.395 1.00 33.23 H new ATOM 0 HB3 ASN A 98 28.449 10.183 -13.727 1.00 33.23 H new ATOM 0 HD21 ASN A 98 28.617 11.454 -16.990 1.00 42.15 H new ATOM 0 HD22 ASN A 98 29.422 11.102 -15.457 1.00 42.15 H new ATOM 1470 N ASP A 99 26.843 6.779 -13.628 1.00 51.43 N ATOM 1471 CA ASP A 99 27.469 5.496 -13.925 1.00 34.13 C ATOM 1472 C ASP A 99 26.517 4.593 -14.703 1.00 63.24 C ATOM 1473 O ASP A 99 26.850 4.108 -15.784 1.00 54.14 O ATOM 1474 CB ASP A 99 27.904 4.805 -12.631 1.00 61.02 C ATOM 1475 CG ASP A 99 28.375 3.384 -12.863 1.00 31.11 C ATOM 1476 OD1 ASP A 99 29.518 3.206 -13.337 1.00 64.44 O ATOM 1477 OD2 ASP A 99 27.601 2.447 -12.572 1.00 41.04 O1- ATOM 0 H ASP A 99 26.047 6.723 -12.993 1.00 51.43 H new ATOM 0 HA ASP A 99 28.348 5.683 -14.542 1.00 34.13 H new ATOM 0 HB2 ASP A 99 28.706 5.379 -12.168 1.00 61.02 H new ATOM 0 HB3 ASP A 99 27.071 4.798 -11.929 1.00 61.02 H new ATOM 1482 N SER A 100 25.332 4.371 -14.144 1.00 31.43 N ATOM 1483 CA SER A 100 24.333 3.522 -14.783 1.00 54.41 C ATOM 1484 C SER A 100 22.974 4.215 -14.819 1.00 0.22 C ATOM 1485 O SER A 100 22.475 4.574 -15.885 1.00 0.22 O ATOM 1486 CB SER A 100 24.218 2.188 -14.043 1.00 62.41 C ATOM 1487 OG SER A 100 25.398 1.417 -14.195 1.00 71.24 O ATOM 0 H SER A 100 25.040 4.767 -13.250 1.00 31.43 H new ATOM 0 HA SER A 100 24.653 3.335 -15.808 1.00 54.41 H new ATOM 0 HB2 SER A 100 24.033 2.371 -12.984 1.00 62.41 H new ATOM 0 HB3 SER A 100 23.363 1.629 -14.424 1.00 62.41 H new ATOM 0 HG SER A 100 26.105 1.786 -13.626 1.00 71.24 H new ATOM 1493 N GLY A 101 22.379 4.399 -13.645 1.00 34.22 N ATOM 1494 CA GLY A 101 21.084 5.048 -13.562 1.00 51.22 C ATOM 1495 C GLY A 101 20.267 4.565 -12.381 1.00 34.21 C ATOM 1496 O GLY A 101 19.257 3.880 -12.536 1.00 62.14 O ATOM 0 H GLY A 101 22.771 4.110 -12.749 1.00 34.22 H new ATOM 0 HA2 GLY A 101 21.226 6.126 -13.485 1.00 51.22 H new ATOM 0 HA3 GLY A 101 20.530 4.864 -14.482 1.00 51.22 H new ATOM 1500 N PRO A 102 20.708 4.924 -11.165 1.00 21.34 N ATOM 1501 CA PRO A 102 20.025 4.533 -9.928 1.00 0.44 C ATOM 1502 C PRO A 102 18.684 5.237 -9.758 1.00 41.02 C ATOM 1503 O PRO A 102 18.632 6.444 -9.521 1.00 2.14 O ATOM 1504 CB PRO A 102 21.002 4.968 -8.833 1.00 64.03 C ATOM 1505 CG PRO A 102 21.790 6.074 -9.444 1.00 43.03 C ATOM 1506 CD PRO A 102 21.905 5.740 -10.905 1.00 62.14 C ATOM 0 HA PRO A 102 19.789 3.469 -9.910 1.00 0.44 H new ATOM 0 HB2 PRO A 102 20.473 5.305 -7.942 1.00 64.03 H new ATOM 0 HB3 PRO A 102 21.647 4.144 -8.528 1.00 64.03 H new ATOM 0 HG2 PRO A 102 21.293 7.033 -9.301 1.00 43.03 H new ATOM 0 HG3 PRO A 102 22.774 6.153 -8.983 1.00 43.03 H new ATOM 0 HD2 PRO A 102 21.920 6.638 -11.522 1.00 62.14 H new ATOM 0 HD3 PRO A 102 22.821 5.189 -11.120 1.00 62.14 H new ATOM 1514 N ARG A 103 17.602 4.476 -9.881 1.00 23.34 N ATOM 1515 CA ARG A 103 16.259 5.029 -9.741 1.00 62.04 C ATOM 1516 C ARG A 103 15.967 5.383 -8.285 1.00 14.33 C ATOM 1517 O ARG A 103 15.685 6.538 -7.962 1.00 52.44 O ATOM 1518 CB ARG A 103 15.218 4.032 -10.253 1.00 30.24 C ATOM 1519 CG ARG A 103 15.471 3.567 -11.678 1.00 22.53 C ATOM 1520 CD ARG A 103 14.271 2.821 -12.242 1.00 52.13 C ATOM 1521 NE ARG A 103 13.340 3.718 -12.921 1.00 1.11 N ATOM 1522 CZ ARG A 103 12.200 3.314 -13.470 1.00 54.03 C ATOM 1523 NH1 ARG A 103 11.852 2.036 -13.422 1.00 3.14 N1+ ATOM 1524 NH2 ARG A 103 11.405 4.190 -14.072 1.00 64.44 N ATOM 0 H ARG A 103 17.628 3.475 -10.077 1.00 23.34 H new ATOM 0 HA ARG A 103 16.204 5.940 -10.337 1.00 62.04 H new ATOM 0 HB2 ARG A 103 15.203 3.164 -9.594 1.00 30.24 H new ATOM 0 HB3 ARG A 103 14.231 4.490 -10.199 1.00 30.24 H new ATOM 0 HG2 ARG A 103 15.695 4.428 -12.308 1.00 22.53 H new ATOM 0 HG3 ARG A 103 16.347 2.919 -11.700 1.00 22.53 H new ATOM 0 HD2 ARG A 103 14.614 2.058 -12.941 1.00 52.13 H new ATOM 0 HD3 ARG A 103 13.753 2.304 -11.434 1.00 52.13 H new ATOM 0 HE ARG A 103 13.578 4.708 -12.977 1.00 1.11 H new ATOM 0 HH11 ARG A 103 12.460 1.359 -12.962 1.00 3.14 H new ATOM 0 HH12 ARG A 103 10.976 1.730 -13.845 1.00 3.14 H new ATOM 0 HH21 ARG A 103 11.669 5.174 -14.113 1.00 64.44 H new ATOM 0 HH22 ARG A 103 10.530 3.879 -14.493 1.00 64.44 H new ATOM 1538 N ARG A 104 16.034 4.384 -7.413 1.00 24.02 N ATOM 1539 CA ARG A 104 15.775 4.589 -5.993 1.00 24.20 C ATOM 1540 C ARG A 104 17.069 4.880 -5.240 1.00 1.51 C ATOM 1541 O ARG A 104 18.097 4.248 -5.485 1.00 72.24 O ATOM 1542 CB ARG A 104 15.089 3.359 -5.395 1.00 25.22 C ATOM 1543 CG ARG A 104 14.191 3.678 -4.211 1.00 31.23 C ATOM 1544 CD ARG A 104 12.883 4.312 -4.659 1.00 34.05 C ATOM 1545 NE ARG A 104 11.917 3.313 -5.110 1.00 31.23 N ATOM 1546 CZ ARG A 104 10.785 3.616 -5.735 1.00 4.22 C ATOM 1547 NH1 ARG A 104 10.477 4.882 -5.981 1.00 33.51 N1+ ATOM 1548 NH2 ARG A 104 9.957 2.651 -6.115 1.00 33.42 N ATOM 0 H ARG A 104 16.266 3.423 -7.665 1.00 24.02 H new ATOM 0 HA ARG A 104 15.115 5.450 -5.891 1.00 24.20 H new ATOM 0 HB2 ARG A 104 14.496 2.872 -6.169 1.00 25.22 H new ATOM 0 HB3 ARG A 104 15.851 2.645 -5.081 1.00 25.22 H new ATOM 0 HG2 ARG A 104 13.982 2.764 -3.655 1.00 31.23 H new ATOM 0 HG3 ARG A 104 14.710 4.353 -3.531 1.00 31.23 H new ATOM 0 HD2 ARG A 104 12.456 4.883 -3.835 1.00 34.05 H new ATOM 0 HD3 ARG A 104 13.080 5.017 -5.467 1.00 34.05 H new ATOM 0 HE ARG A 104 12.123 2.329 -4.935 1.00 31.23 H new ATOM 0 HH11 ARG A 104 11.110 5.627 -5.690 1.00 33.51 H new ATOM 0 HH12 ARG A 104 9.607 5.111 -6.461 1.00 33.51 H new ATOM 0 HH21 ARG A 104 10.190 1.676 -5.927 1.00 33.42 H new ATOM 0 HH22 ARG A 104 9.088 2.884 -6.595 1.00 33.42 H new ATOM 1562 N TYR A 105 17.012 5.840 -4.324 1.00 3.31 N ATOM 1563 CA TYR A 105 18.181 6.217 -3.538 1.00 51.11 C ATOM 1564 C TYR A 105 18.125 5.593 -2.146 1.00 4.42 C ATOM 1565 O TYR A 105 18.574 6.188 -1.166 1.00 2.22 O ATOM 1566 CB TYR A 105 18.275 7.739 -3.422 1.00 3.13 C ATOM 1567 CG TYR A 105 18.893 8.401 -4.633 1.00 74.50 C ATOM 1568 CD1 TYR A 105 20.197 8.115 -5.016 1.00 22.34 C ATOM 1569 CD2 TYR A 105 18.171 9.313 -5.394 1.00 12.00 C ATOM 1570 CE1 TYR A 105 20.765 8.719 -6.120 1.00 51.10 C ATOM 1571 CE2 TYR A 105 18.732 9.920 -6.501 1.00 50.15 C ATOM 1572 CZ TYR A 105 20.029 9.620 -6.860 1.00 33.34 C ATOM 1573 OH TYR A 105 20.592 10.223 -7.962 1.00 22.10 O ATOM 0 H TYR A 105 16.169 6.371 -4.107 1.00 3.31 H new ATOM 0 HA TYR A 105 19.067 5.843 -4.050 1.00 51.11 H new ATOM 0 HB2 TYR A 105 17.276 8.146 -3.266 1.00 3.13 H new ATOM 0 HB3 TYR A 105 18.863 7.992 -2.540 1.00 3.13 H new ATOM 0 HD1 TYR A 105 20.776 7.408 -4.441 1.00 22.34 H new ATOM 0 HD2 TYR A 105 17.155 9.551 -5.115 1.00 12.00 H new ATOM 0 HE1 TYR A 105 21.781 8.487 -6.403 1.00 51.10 H new ATOM 0 HE2 TYR A 105 18.157 10.626 -7.082 1.00 50.15 H new ATOM 0 HH TYR A 105 19.940 10.829 -8.372 1.00 22.10 H new ATOM 1583 N THR A 106 17.572 4.386 -2.069 1.00 40.24 N ATOM 1584 CA THR A 106 17.456 3.680 -0.799 1.00 32.41 C ATOM 1585 C THR A 106 18.650 2.759 -0.572 1.00 71.02 C ATOM 1586 O THR A 106 19.086 2.056 -1.484 1.00 75.23 O ATOM 1587 CB THR A 106 16.162 2.847 -0.735 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.022 3.702 -0.878 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.071 2.089 0.581 1.00 12.31 C ATOM 0 H THR A 106 17.198 3.878 -2.870 1.00 40.24 H new ATOM 0 HA THR A 106 17.430 4.439 -0.017 1.00 32.41 H new ATOM 0 HB THR A 106 16.180 2.125 -1.552 1.00 75.32 H new ATOM 0 HG1 THR A 106 14.207 3.196 -0.680 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.149 1.508 0.603 1.00 12.31 H new ATOM 0 HG22 THR A 106 16.925 1.418 0.674 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.074 2.797 1.410 1.00 12.31 H new ATOM 1597 N ILE A 107 19.173 2.767 0.650 1.00 54.05 N ATOM 1598 CA ILE A 107 20.315 1.931 0.997 1.00 74.20 C ATOM 1599 C ILE A 107 19.867 0.541 1.437 1.00 63.32 C ATOM 1600 O ILE A 107 19.282 0.377 2.506 1.00 31.52 O ATOM 1601 CB ILE A 107 21.157 2.566 2.119 1.00 44.44 C ATOM 1602 CG1 ILE A 107 21.759 3.891 1.648 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.253 1.608 2.565 1.00 44.24 C ATOM 1604 CD1 ILE A 107 20.969 5.103 2.085 1.00 32.11 C ATOM 0 H ILE A 107 18.824 3.343 1.416 1.00 54.05 H new ATOM 0 HA ILE A 107 20.927 1.845 0.099 1.00 74.20 H new ATOM 0 HB ILE A 107 20.508 2.767 2.971 1.00 44.44 H new ATOM 0 HG12 ILE A 107 22.777 3.974 2.029 1.00 42.14 H new ATOM 0 HG13 ILE A 107 21.826 3.884 0.560 1.00 42.14 H new ATOM 0 HG21 ILE A 107 22.840 2.071 3.358 1.00 44.24 H new ATOM 0 HG22 ILE A 107 21.803 0.687 2.936 1.00 44.24 H new ATOM 0 HG23 ILE A 107 22.902 1.379 1.720 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.454 6.006 1.715 1.00 32.11 H new ATOM 0 HD12 ILE A 107 19.958 5.043 1.682 1.00 32.11 H new ATOM 0 HD13 ILE A 107 20.924 5.135 3.174 1.00 32.11 H new ATOM 1616 N ALA A 108 20.147 -0.456 0.604 1.00 21.23 N ATOM 1617 CA ALA A 108 19.775 -1.832 0.908 1.00 2.35 C ATOM 1618 C ALA A 108 20.906 -2.559 1.628 1.00 63.45 C ATOM 1619 O ALA A 108 21.955 -2.828 1.044 1.00 51.45 O ATOM 1620 CB ALA A 108 19.398 -2.571 -0.367 1.00 32.14 C ATOM 0 H ALA A 108 20.630 -0.336 -0.286 1.00 21.23 H new ATOM 0 HA ALA A 108 18.910 -1.811 1.571 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.122 -3.597 -0.125 1.00 32.14 H new ATOM 0 HB2 ALA A 108 18.554 -2.071 -0.841 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.248 -2.575 -1.050 1.00 32.14 H new ATOM 1626 N ALA A 109 20.685 -2.873 2.901 1.00 63.22 N ATOM 1627 CA ALA A 109 21.685 -3.570 3.700 1.00 54.44 C ATOM 1628 C ALA A 109 21.079 -4.781 4.402 1.00 42.04 C ATOM 1629 O ALA A 109 20.202 -4.642 5.255 1.00 35.23 O ATOM 1630 CB ALA A 109 22.302 -2.622 4.718 1.00 2.42 C ATOM 0 H ALA A 109 19.823 -2.656 3.400 1.00 63.22 H new ATOM 0 HA ALA A 109 22.468 -3.925 3.029 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.047 -3.156 5.308 1.00 2.42 H new ATOM 0 HB2 ALA A 109 22.778 -1.790 4.199 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.523 -2.240 5.378 1.00 2.42 H new ATOM 1636 N MET A 110 21.554 -5.969 4.039 1.00 0.21 N ATOM 1637 CA MET A 110 21.059 -7.203 4.635 1.00 34.20 C ATOM 1638 C MET A 110 22.120 -7.840 5.527 1.00 44.24 C ATOM 1639 O MET A 110 23.238 -8.109 5.084 1.00 31.10 O ATOM 1640 CB MET A 110 20.635 -8.189 3.544 1.00 34.11 C ATOM 1641 CG MET A 110 19.358 -7.785 2.825 1.00 44.03 C ATOM 1642 SD MET A 110 18.638 -9.139 1.876 1.00 11.42 S ATOM 1643 CE MET A 110 17.693 -9.978 3.147 1.00 12.22 C ATOM 0 H MET A 110 22.281 -6.102 3.335 1.00 0.21 H new ATOM 0 HA MET A 110 20.192 -6.957 5.249 1.00 34.20 H new ATOM 0 HB2 MET A 110 21.440 -8.280 2.815 1.00 34.11 H new ATOM 0 HB3 MET A 110 20.496 -9.174 3.990 1.00 34.11 H new ATOM 0 HG2 MET A 110 18.631 -7.431 3.556 1.00 44.03 H new ATOM 0 HG3 MET A 110 19.570 -6.950 2.157 1.00 44.03 H new ATOM 0 HE1 MET A 110 17.924 -11.043 3.129 1.00 12.22 H new ATOM 0 HE2 MET A 110 17.951 -9.567 4.123 1.00 12.22 H new ATOM 0 HE3 MET A 110 16.628 -9.834 2.963 1.00 12.22 H new ATOM 1653 N LEU A 111 21.764 -8.080 6.784 1.00 51.13 N ATOM 1654 CA LEU A 111 22.688 -8.686 7.738 1.00 21.14 C ATOM 1655 C LEU A 111 22.638 -10.208 7.652 1.00 54.03 C ATOM 1656 O LEU A 111 22.131 -10.874 8.553 1.00 63.05 O ATOM 1657 CB LEU A 111 22.352 -8.233 9.160 1.00 12.44 C ATOM 1658 CG LEU A 111 22.319 -6.722 9.394 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.466 -6.044 8.661 1.00 71.33 C ATOM 1660 CD2 LEU A 111 20.984 -6.142 8.950 1.00 62.42 C ATOM 0 H LEU A 111 20.843 -7.865 7.167 1.00 51.13 H new ATOM 0 HA LEU A 111 23.697 -8.359 7.488 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.379 -8.643 9.430 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.082 -8.670 9.841 1.00 12.44 H new ATOM 0 HG LEU A 111 22.436 -6.537 10.462 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.427 -4.969 8.839 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.415 -6.438 9.026 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.380 -6.238 7.592 1.00 71.33 H new ATOM 0 HD21 LEU A 111 20.979 -5.066 9.124 1.00 62.42 H new ATOM 0 HD22 LEU A 111 20.837 -6.339 7.888 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.178 -6.606 9.520 1.00 62.42 H new ATOM 1672 N SER A 112 23.172 -10.751 6.562 1.00 54.12 N ATOM 1673 CA SER A 112 23.188 -12.194 6.357 1.00 12.24 C ATOM 1674 C SER A 112 23.743 -12.911 7.585 1.00 22.43 C ATOM 1675 O SER A 112 24.425 -12.322 8.423 1.00 1.40 O ATOM 1676 CB SER A 112 24.025 -12.547 5.125 1.00 43.45 C ATOM 1677 OG SER A 112 23.229 -12.554 3.953 1.00 13.22 O ATOM 0 H SER A 112 23.599 -10.213 5.808 1.00 54.12 H new ATOM 0 HA SER A 112 22.162 -12.525 6.197 1.00 12.24 H new ATOM 0 HB2 SER A 112 24.836 -11.827 5.014 1.00 43.45 H new ATOM 0 HB3 SER A 112 24.485 -13.526 5.262 1.00 43.45 H new ATOM 0 HG SER A 112 23.787 -12.780 3.180 1.00 13.22 H new ATOM 1683 N PRO A 113 23.446 -14.214 7.693 1.00 22.02 N ATOM 1684 CA PRO A 113 23.904 -15.041 8.812 1.00 43.14 C ATOM 1685 C PRO A 113 25.409 -15.288 8.773 1.00 2.12 C ATOM 1686 O PRO A 113 26.021 -15.279 7.705 1.00 12.34 O ATOM 1687 CB PRO A 113 23.142 -16.354 8.619 1.00 50.43 C ATOM 1688 CG PRO A 113 22.841 -16.407 7.161 1.00 10.11 C ATOM 1689 CD PRO A 113 22.639 -14.982 6.728 1.00 23.20 C ATOM 0 HA PRO A 113 23.719 -14.563 9.774 1.00 43.14 H new ATOM 0 HB2 PRO A 113 23.742 -17.209 8.931 1.00 50.43 H new ATOM 0 HB3 PRO A 113 22.228 -16.372 9.213 1.00 50.43 H new ATOM 0 HG2 PRO A 113 23.660 -16.870 6.610 1.00 10.11 H new ATOM 0 HG3 PRO A 113 21.949 -17.004 6.968 1.00 10.11 H new ATOM 0 HD2 PRO A 113 22.977 -14.821 5.704 1.00 23.20 H new ATOM 0 HD3 PRO A 113 21.588 -14.696 6.766 1.00 23.20 H new ATOM 1697 N TYR A 114 25.998 -15.507 9.943 1.00 23.50 N ATOM 1698 CA TYR A 114 27.432 -15.754 10.042 1.00 1.14 C ATOM 1699 C TYR A 114 27.718 -16.943 10.954 1.00 43.00 C ATOM 1700 O TYR A 114 27.990 -16.775 12.144 1.00 5.21 O ATOM 1701 CB TYR A 114 28.150 -14.510 10.566 1.00 52.22 C ATOM 1702 CG TYR A 114 27.714 -13.229 9.890 1.00 0.42 C ATOM 1703 CD1 TYR A 114 27.912 -13.036 8.529 1.00 13.42 C ATOM 1704 CD2 TYR A 114 27.103 -12.212 10.615 1.00 43.22 C ATOM 1705 CE1 TYR A 114 27.514 -11.867 7.908 1.00 52.31 C ATOM 1706 CE2 TYR A 114 26.702 -11.041 10.002 1.00 31.41 C ATOM 1707 CZ TYR A 114 26.910 -10.872 8.648 1.00 63.53 C ATOM 1708 OH TYR A 114 26.513 -9.708 8.033 1.00 74.32 O ATOM 0 H TYR A 114 25.505 -15.519 10.836 1.00 23.50 H new ATOM 0 HA TYR A 114 27.805 -15.987 9.045 1.00 1.14 H new ATOM 0 HB2 TYR A 114 27.973 -14.423 11.638 1.00 52.22 H new ATOM 0 HB3 TYR A 114 29.224 -14.636 10.429 1.00 52.22 H new ATOM 0 HD1 TYR A 114 28.385 -13.812 7.946 1.00 13.42 H new ATOM 0 HD2 TYR A 114 26.939 -12.340 11.675 1.00 43.22 H new ATOM 0 HE1 TYR A 114 27.675 -11.733 6.848 1.00 52.31 H new ATOM 0 HE2 TYR A 114 26.228 -10.261 10.579 1.00 31.41 H new ATOM 0 HH TYR A 114 26.104 -9.112 8.694 1.00 74.32 H new ATOM 1718 N SER A 115 27.656 -18.143 10.389 1.00 75.00 N ATOM 1719 CA SER A 115 27.905 -19.361 11.151 1.00 11.22 C ATOM 1720 C SER A 115 29.236 -19.276 11.892 1.00 71.44 C ATOM 1721 O SER A 115 30.029 -18.363 11.662 1.00 23.43 O ATOM 1722 CB SER A 115 27.902 -20.578 10.223 1.00 64.23 C ATOM 1723 OG SER A 115 26.594 -20.866 9.763 1.00 63.14 O ATOM 0 H SER A 115 27.435 -18.299 9.405 1.00 75.00 H new ATOM 0 HA SER A 115 27.107 -19.470 11.885 1.00 11.22 H new ATOM 0 HB2 SER A 115 28.557 -20.392 9.372 1.00 64.23 H new ATOM 0 HB3 SER A 115 28.304 -21.443 10.751 1.00 64.23 H new ATOM 0 HG SER A 115 26.620 -21.646 9.171 1.00 63.14 H new ATOM 1729 N TYR A 116 29.473 -20.232 12.782 1.00 41.15 N ATOM 1730 CA TYR A 116 30.705 -20.265 13.560 1.00 60.33 C ATOM 1731 C TYR A 116 31.705 -21.247 12.955 1.00 73.11 C ATOM 1732 O TYR A 116 32.562 -21.787 13.654 1.00 43.34 O ATOM 1733 CB TYR A 116 30.408 -20.651 15.010 1.00 52.20 C ATOM 1734 CG TYR A 116 29.231 -19.912 15.605 1.00 62.23 C ATOM 1735 CD1 TYR A 116 27.932 -20.370 15.420 1.00 50.21 C ATOM 1736 CD2 TYR A 116 29.418 -18.754 16.350 1.00 64.02 C ATOM 1737 CE1 TYR A 116 26.854 -19.697 15.961 1.00 70.32 C ATOM 1738 CE2 TYR A 116 28.345 -18.076 16.896 1.00 12.14 C ATOM 1739 CZ TYR A 116 27.066 -18.551 16.698 1.00 0.53 C ATOM 1740 OH TYR A 116 25.994 -17.877 17.239 1.00 30.40 O ATOM 0 H TYR A 116 28.827 -20.996 12.983 1.00 41.15 H new ATOM 0 HA TYR A 116 31.144 -19.268 13.540 1.00 60.33 H new ATOM 0 HB2 TYR A 116 30.216 -21.723 15.060 1.00 52.20 H new ATOM 0 HB3 TYR A 116 31.292 -20.457 15.617 1.00 52.20 H new ATOM 0 HD1 TYR A 116 27.763 -21.267 14.843 1.00 50.21 H new ATOM 0 HD2 TYR A 116 30.418 -18.378 16.505 1.00 64.02 H new ATOM 0 HE1 TYR A 116 25.851 -20.066 15.808 1.00 70.32 H new ATOM 0 HE2 TYR A 116 28.507 -17.179 17.475 1.00 12.14 H new ATOM 0 HH TYR A 116 26.315 -17.092 17.729 1.00 30.40 H new ATOM 1750 N SER A 117 31.588 -21.471 11.650 1.00 25.22 N ATOM 1751 CA SER A 117 32.479 -22.388 10.950 1.00 25.44 C ATOM 1752 C SER A 117 33.939 -21.995 11.158 1.00 44.43 C ATOM 1753 O SER A 117 34.236 -20.928 11.697 1.00 74.44 O ATOM 1754 CB SER A 117 32.152 -22.410 9.456 1.00 52.34 C ATOM 1755 OG SER A 117 30.878 -22.983 9.220 1.00 35.54 O ATOM 0 H SER A 117 30.885 -21.030 11.057 1.00 25.22 H new ATOM 0 HA SER A 117 32.328 -23.386 11.362 1.00 25.44 H new ATOM 0 HB2 SER A 117 32.176 -21.395 9.061 1.00 52.34 H new ATOM 0 HB3 SER A 117 32.914 -22.978 8.922 1.00 52.34 H new ATOM 0 HG SER A 117 30.693 -22.983 8.258 1.00 35.54 H new ATOM 1761 N THR A 118 34.847 -22.863 10.725 1.00 33.43 N ATOM 1762 CA THR A 118 36.275 -22.608 10.863 1.00 53.23 C ATOM 1763 C THR A 118 36.850 -21.996 9.592 1.00 74.11 C ATOM 1764 O THR A 118 38.038 -22.142 9.301 1.00 53.14 O ATOM 1765 CB THR A 118 37.047 -23.899 11.193 1.00 13.15 C ATOM 1766 OG1 THR A 118 38.409 -23.589 11.507 1.00 55.10 O ATOM 1767 CG2 THR A 118 37.000 -24.871 10.022 1.00 63.23 C ATOM 0 H THR A 118 34.619 -23.750 10.275 1.00 33.43 H new ATOM 0 HA THR A 118 36.392 -21.903 11.686 1.00 53.23 H new ATOM 0 HB THR A 118 36.574 -24.369 12.055 1.00 13.15 H new ATOM 0 HG1 THR A 118 38.775 -22.993 10.821 1.00 55.10 H new ATOM 0 HG21 THR A 118 37.552 -25.776 10.278 1.00 63.23 H new ATOM 0 HG22 THR A 118 35.963 -25.128 9.804 1.00 63.23 H new ATOM 0 HG23 THR A 118 37.451 -24.406 9.145 1.00 63.23 H new ATOM 1775 N THR A 119 36.001 -21.307 8.836 1.00 11.45 N ATOM 1776 CA THR A 119 36.425 -20.672 7.594 1.00 25.02 C ATOM 1777 C THR A 119 35.836 -19.271 7.464 1.00 41.31 C ATOM 1778 O THR A 119 34.947 -18.888 8.224 1.00 44.13 O ATOM 1779 CB THR A 119 36.011 -21.506 6.367 1.00 11.34 C ATOM 1780 OG1 THR A 119 34.619 -21.832 6.441 1.00 72.04 O ATOM 1781 CG2 THR A 119 36.833 -22.783 6.280 1.00 25.02 C ATOM 0 H THR A 119 35.015 -21.174 9.062 1.00 11.45 H new ATOM 0 HA THR A 119 37.512 -20.605 7.628 1.00 25.02 H new ATOM 0 HB THR A 119 36.196 -20.911 5.472 1.00 11.34 H new ATOM 0 HG1 THR A 119 34.365 -22.361 5.656 1.00 72.04 H new ATOM 0 HG21 THR A 119 36.523 -23.356 5.406 1.00 25.02 H new ATOM 0 HG22 THR A 119 37.890 -22.530 6.193 1.00 25.02 H new ATOM 0 HG23 THR A 119 36.676 -23.379 7.179 1.00 25.02 H new ATOM 1789 N ALA A 120 36.336 -18.512 6.494 1.00 13.22 N ATOM 1790 CA ALA A 120 35.857 -17.155 6.263 1.00 52.22 C ATOM 1791 C ALA A 120 35.909 -16.328 7.543 1.00 55.15 C ATOM 1792 O ALA A 120 35.118 -15.405 7.731 1.00 65.21 O ATOM 1793 CB ALA A 120 34.441 -17.183 5.707 1.00 42.50 C ATOM 0 H ALA A 120 37.072 -18.814 5.856 1.00 13.22 H new ATOM 0 HA ALA A 120 36.514 -16.684 5.532 1.00 52.22 H new ATOM 0 HB1 ALA A 120 34.096 -16.163 5.539 1.00 42.50 H new ATOM 0 HB2 ALA A 120 34.431 -17.729 4.764 1.00 42.50 H new ATOM 0 HB3 ALA A 120 33.780 -17.677 6.419 1.00 42.50 H new ATOM 1799 N VAL A 121 36.846 -16.667 8.424 1.00 4.12 N ATOM 1800 CA VAL A 121 37.002 -15.956 9.686 1.00 43.11 C ATOM 1801 C VAL A 121 37.691 -14.613 9.480 1.00 30.44 C ATOM 1802 O VAL A 121 38.495 -14.450 8.561 1.00 24.04 O ATOM 1803 CB VAL A 121 37.811 -16.785 10.702 1.00 72.25 C ATOM 1804 CG1 VAL A 121 39.243 -16.966 10.224 1.00 1.23 C ATOM 1805 CG2 VAL A 121 37.775 -16.129 12.074 1.00 33.31 C ATOM 0 H VAL A 121 37.508 -17.430 8.286 1.00 4.12 H new ATOM 0 HA VAL A 121 35.999 -15.790 10.080 1.00 43.11 H new ATOM 0 HB VAL A 121 37.355 -17.771 10.785 1.00 72.25 H new ATOM 0 HG11 VAL A 121 39.799 -17.554 10.954 1.00 1.23 H new ATOM 0 HG12 VAL A 121 39.244 -17.484 9.265 1.00 1.23 H new ATOM 0 HG13 VAL A 121 39.714 -15.990 10.109 1.00 1.23 H new ATOM 0 HG21 VAL A 121 38.351 -16.728 12.779 1.00 33.31 H new ATOM 0 HG22 VAL A 121 38.205 -15.129 12.011 1.00 33.31 H new ATOM 0 HG23 VAL A 121 36.743 -16.059 12.417 1.00 33.31 H new ATOM 1815 N VAL A 122 37.374 -13.651 10.341 1.00 21.23 N ATOM 1816 CA VAL A 122 37.963 -12.321 10.254 1.00 51.40 C ATOM 1817 C VAL A 122 39.485 -12.399 10.190 1.00 21.04 C ATOM 1818 O VAL A 122 40.112 -13.157 10.931 1.00 52.34 O ATOM 1819 CB VAL A 122 37.555 -11.446 11.454 1.00 74.35 C ATOM 1820 CG1 VAL A 122 38.036 -12.066 12.756 1.00 52.43 C ATOM 1821 CG2 VAL A 122 38.098 -10.034 11.292 1.00 10.13 C ATOM 0 H VAL A 122 36.712 -13.769 11.108 1.00 21.23 H new ATOM 0 HA VAL A 122 37.585 -11.866 9.338 1.00 51.40 H new ATOM 0 HB VAL A 122 36.467 -11.390 11.488 1.00 74.35 H new ATOM 0 HG11 VAL A 122 37.738 -11.433 13.592 1.00 52.43 H new ATOM 0 HG12 VAL A 122 37.593 -13.055 12.874 1.00 52.43 H new ATOM 0 HG13 VAL A 122 39.122 -12.155 12.737 1.00 52.43 H new ATOM 0 HG21 VAL A 122 37.800 -9.429 12.149 1.00 10.13 H new ATOM 0 HG22 VAL A 122 39.186 -10.067 11.232 1.00 10.13 H new ATOM 0 HG23 VAL A 122 37.697 -9.593 10.379 1.00 10.13 H new ATOM 1831 N THR A 123 40.076 -11.606 9.300 1.00 54.15 N ATOM 1832 CA THR A 123 41.524 -11.585 9.140 1.00 30.41 C ATOM 1833 C THR A 123 42.179 -10.682 10.177 1.00 22.22 C ATOM 1834 O THR A 123 41.539 -9.787 10.729 1.00 52.11 O ATOM 1835 CB THR A 123 41.925 -11.106 7.731 1.00 20.34 C ATOM 1836 OG1 THR A 123 43.351 -11.029 7.629 1.00 33.22 O ATOM 1837 CG2 THR A 123 41.315 -9.746 7.429 1.00 21.05 C ATOM 0 H THR A 123 39.574 -10.971 8.680 1.00 54.15 H new ATOM 0 HA THR A 123 41.873 -12.608 9.282 1.00 30.41 H new ATOM 0 HB THR A 123 41.547 -11.825 7.004 1.00 20.34 H new ATOM 0 HG1 THR A 123 43.599 -10.726 6.731 1.00 33.22 H new ATOM 0 HG21 THR A 123 41.612 -9.428 6.429 1.00 21.05 H new ATOM 0 HG22 THR A 123 40.228 -9.815 7.480 1.00 21.05 H new ATOM 0 HG23 THR A 123 41.667 -9.019 8.160 1.00 21.05 H new ATOM 1845 N ASN A 124 43.461 -10.920 10.438 1.00 75.41 N ATOM 1846 CA ASN A 124 44.203 -10.126 11.411 1.00 53.22 C ATOM 1847 C ASN A 124 45.358 -9.388 10.743 1.00 22.31 C ATOM 1848 O ASN A 124 46.531 -9.684 10.969 1.00 32.20 O ATOM 1849 CB ASN A 124 44.736 -11.022 12.531 1.00 13.12 C ATOM 1850 CG ASN A 124 43.649 -11.446 13.500 1.00 63.22 C ATOM 1851 OD1 ASN A 124 42.659 -12.064 13.108 1.00 54.42 O ATOM 1852 ND2 ASN A 124 43.828 -11.113 14.772 1.00 64.04 N ATOM 0 H ASN A 124 44.007 -11.656 9.990 1.00 75.41 H new ATOM 0 HA ASN A 124 43.522 -9.389 11.837 1.00 53.22 H new ATOM 0 HB2 ASN A 124 45.196 -11.909 12.095 1.00 13.12 H new ATOM 0 HB3 ASN A 124 45.518 -10.492 13.075 1.00 13.12 H new ATOM 0 HD21 ASN A 124 43.129 -11.370 15.470 1.00 64.04 H new ATOM 0 HD22 ASN A 124 44.664 -10.600 15.052 1.00 64.04 H new ATOM 1859 N PRO A 125 45.020 -8.401 9.900 1.00 24.52 N ATOM 1860 CA PRO A 125 46.015 -7.599 9.181 1.00 24.42 C ATOM 1861 C PRO A 125 46.792 -6.672 10.110 1.00 35.53 C ATOM 1862 O PRO A 125 46.534 -6.621 11.312 1.00 10.22 O ATOM 1863 CB PRO A 125 45.170 -6.785 8.197 1.00 72.35 C ATOM 1864 CG PRO A 125 43.824 -6.703 8.831 1.00 62.25 C ATOM 1865 CD PRO A 125 43.641 -7.993 9.583 1.00 3.25 C ATOM 0 HA PRO A 125 46.771 -8.221 8.702 1.00 24.42 H new ATOM 0 HB2 PRO A 125 45.594 -5.793 8.038 1.00 72.35 H new ATOM 0 HB3 PRO A 125 45.120 -7.271 7.222 1.00 72.35 H new ATOM 0 HG2 PRO A 125 43.761 -5.847 9.503 1.00 62.25 H new ATOM 0 HG3 PRO A 125 43.045 -6.576 8.079 1.00 62.25 H new ATOM 0 HD2 PRO A 125 43.046 -7.851 10.485 1.00 3.25 H new ATOM 0 HD3 PRO A 125 43.129 -8.742 8.978 1.00 3.25 H new ATOM 1873 N LYS A 126 47.745 -5.938 9.544 1.00 63.33 N ATOM 1874 CA LYS A 126 48.559 -5.011 10.321 1.00 0.11 C ATOM 1875 C LYS A 126 47.681 -4.070 11.139 1.00 52.52 C ATOM 1876 O LYS A 126 48.079 -3.609 12.208 1.00 75.10 O ATOM 1877 CB LYS A 126 49.468 -4.200 9.394 1.00 43.13 C ATOM 1878 CG LYS A 126 48.738 -3.116 8.621 1.00 31.53 C ATOM 1879 CD LYS A 126 47.850 -3.705 7.538 1.00 32.21 C ATOM 1880 CE LYS A 126 47.705 -2.755 6.358 1.00 52.15 C ATOM 1881 NZ LYS A 126 46.842 -1.588 6.690 1.00 22.22 N1+ ATOM 0 H LYS A 126 47.972 -5.968 8.550 1.00 63.33 H new ATOM 0 HA LYS A 126 49.174 -5.593 11.007 1.00 0.11 H new ATOM 0 HB2 LYS A 126 50.260 -3.741 9.986 1.00 43.13 H new ATOM 0 HB3 LYS A 126 49.949 -4.877 8.688 1.00 43.13 H new ATOM 0 HG2 LYS A 126 48.132 -2.524 9.307 1.00 31.53 H new ATOM 0 HG3 LYS A 126 49.463 -2.439 8.170 1.00 31.53 H new ATOM 0 HD2 LYS A 126 48.270 -4.651 7.196 1.00 32.21 H new ATOM 0 HD3 LYS A 126 46.866 -3.925 7.952 1.00 32.21 H new ATOM 0 HE2 LYS A 126 48.690 -2.403 6.052 1.00 52.15 H new ATOM 0 HE3 LYS A 126 47.280 -3.291 5.510 1.00 52.15 H new ATOM 0 HZ1 LYS A 126 46.531 -1.125 5.812 1.00 22.22 H new ATOM 0 HZ2 LYS A 126 46.010 -1.912 7.224 1.00 22.22 H new ATOM 0 HZ3 LYS A 126 47.381 -0.911 7.267 1.00 22.22 H new ATOM 1895 N GLU A 127 46.485 -3.790 10.630 1.00 3.11 N ATOM 1896 CA GLU A 127 45.552 -2.904 11.316 1.00 3.11 C ATOM 1897 C GLU A 127 44.440 -3.703 11.990 1.00 14.11 C ATOM 1898 O GLU A 127 43.986 -3.355 13.079 1.00 23.13 O ATOM 1899 CB GLU A 127 44.949 -1.901 10.331 1.00 11.02 C ATOM 1900 CG GLU A 127 45.854 -0.716 10.039 1.00 14.01 C ATOM 1901 CD GLU A 127 45.085 0.503 9.568 1.00 3.05 C ATOM 1902 OE1 GLU A 127 44.017 0.325 8.944 1.00 25.34 O1- ATOM 1903 OE2 GLU A 127 45.550 1.633 9.822 1.00 15.22 O ATOM 0 H GLU A 127 46.140 -4.164 9.746 1.00 3.11 H new ATOM 0 HA GLU A 127 46.103 -2.361 12.084 1.00 3.11 H new ATOM 0 HB2 GLU A 127 44.723 -2.414 9.396 1.00 11.02 H new ATOM 0 HB3 GLU A 127 44.003 -1.535 10.731 1.00 11.02 H new ATOM 0 HG2 GLU A 127 46.415 -0.462 10.938 1.00 14.01 H new ATOM 0 HG3 GLU A 127 46.582 -0.998 9.278 1.00 14.01 H new TER 1910 GLU A 127