USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 843 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 83 ASN : amide:sc= 0.513 K(o=1.1,f=-0.62) USER MOD Set 1.2: A 86 LYS NZ :NH3+ 178:sc= 0.564 (180deg=0) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 153:sc= -1.21 (180deg=-2.58!) USER MOD Set 2.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.0917) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.0079 (180deg=-0.0488) USER MOD Single : A 3 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-3!) USER MOD Single : A 4 HIS : no HD1:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 5 HIS : no HE2:sc=-0.00777 K(o=-0.0078,f=-0.59) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00195 X(o=-0.002,f=-0.002) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 11 MET CE :methyl -173:sc= -0.546 (180deg=-0.723) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 34:sc= 0.116 USER MOD Single : A 16 GLN : amide:sc= 0.00764 K(o=0.0076,f=-1.8) USER MOD Single : A 18 THR OG1 : rot 39:sc= -0.686 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.7!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -126:sc= -0.373 (180deg=-1.06) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -121:sc= 0.696 USER MOD Single : A 54 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.59) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.056) USER MOD Single : A 63 SER OG : rot 180:sc= -0.775 USER MOD Single : A 70 SER OG : rot -78:sc= 0.0244 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 1.79 (180deg=1.73) USER MOD Single : A 77 ASN : amide:sc= -0.761 K(o=-0.76,f=-3.9!) USER MOD Single : A 90 TYR OH : rot -135:sc= -0.114 USER MOD Single : A 92 THR OG1 : rot 78:sc= 0.92 USER MOD Single : A 94 MET CE :methyl -177:sc= -0.399 (180deg=-0.421) USER MOD Single : A 99 SER OG : rot 79:sc= 0.91 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.00595 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.987 -31.505 14.039 1.00 71.34 N ATOM 2 CA MET A 1 4.485 -31.130 15.383 1.00 44.31 C ATOM 3 C MET A 1 4.169 -29.648 15.694 1.00 0.53 C ATOM 4 O MET A 1 3.806 -29.317 16.829 1.00 22.24 O ATOM 5 CB MET A 1 6.017 -31.415 15.494 1.00 0.31 C ATOM 6 CG MET A 1 6.931 -30.524 14.629 1.00 43.10 C ATOM 7 SD MET A 1 8.672 -31.008 14.703 1.00 73.22 S ATOM 8 CE MET A 1 8.687 -32.532 13.753 1.00 64.43 C ATOM 0 H1 MET A 1 4.134 -32.523 13.886 1.00 71.34 H new ATOM 0 H2 MET A 1 2.972 -31.288 13.972 1.00 71.34 H new ATOM 0 H3 MET A 1 4.505 -30.968 13.315 1.00 71.34 H new ATOM 0 HA MET A 1 3.971 -31.741 16.125 1.00 44.31 H new ATOM 0 HB2 MET A 1 6.313 -31.302 16.537 1.00 0.31 H new ATOM 0 HB3 MET A 1 6.194 -32.456 15.223 1.00 0.31 H new ATOM 0 HG2 MET A 1 6.593 -30.564 13.594 1.00 43.10 H new ATOM 0 HG3 MET A 1 6.834 -29.489 14.956 1.00 43.10 H new ATOM 0 HE1 MET A 1 9.717 -32.837 13.571 1.00 64.43 H new ATOM 0 HE2 MET A 1 8.170 -33.313 14.310 1.00 64.43 H new ATOM 0 HE3 MET A 1 8.183 -32.372 12.800 1.00 64.43 H new ATOM 20 N GLY A 2 4.307 -28.766 14.673 1.00 52.00 N ATOM 21 CA GLY A 2 4.088 -27.329 14.844 1.00 31.34 C ATOM 22 C GLY A 2 5.232 -26.646 15.584 1.00 10.04 C ATOM 23 O GLY A 2 5.174 -26.490 16.805 1.00 3.11 O ATOM 0 H GLY A 2 4.570 -29.037 13.725 1.00 52.00 H new ATOM 0 HA2 GLY A 2 3.965 -26.865 13.865 1.00 31.34 H new ATOM 0 HA3 GLY A 2 3.159 -27.169 15.392 1.00 31.34 H new ATOM 27 N HIS A 3 6.279 -26.243 14.834 1.00 62.35 N ATOM 28 CA HIS A 3 7.467 -25.570 15.395 1.00 63.40 C ATOM 29 C HIS A 3 7.113 -24.195 15.997 1.00 31.03 C ATOM 30 O HIS A 3 7.618 -23.835 17.064 1.00 61.23 O ATOM 31 CB HIS A 3 8.574 -25.422 14.318 1.00 4.33 C ATOM 32 CG HIS A 3 9.169 -26.734 13.884 1.00 44.42 C ATOM 33 ND1 HIS A 3 8.913 -27.315 12.664 1.00 21.41 N ATOM 34 CD2 HIS A 3 10.010 -27.581 14.528 1.00 22.32 C ATOM 35 CE1 HIS A 3 9.561 -28.456 12.579 1.00 75.34 C ATOM 36 NE2 HIS A 3 10.233 -28.640 13.695 1.00 45.04 N ATOM 0 H HIS A 3 6.324 -26.375 13.824 1.00 62.35 H new ATOM 0 HA HIS A 3 7.846 -26.197 16.202 1.00 63.40 H new ATOM 0 HB2 HIS A 3 8.157 -24.916 13.447 1.00 4.33 H new ATOM 0 HB3 HIS A 3 9.367 -24.784 14.709 1.00 4.33 H new ATOM 0 HD2 HIS A 3 10.426 -27.444 15.515 1.00 22.32 H new ATOM 0 HE1 HIS A 3 9.544 -29.129 11.735 1.00 75.34 H new ATOM 0 HE2 HIS A 3 10.825 -29.444 13.904 1.00 45.04 H new ATOM 45 N HIS A 4 6.247 -23.425 15.307 1.00 55.45 N ATOM 46 CA HIS A 4 5.799 -22.107 15.812 1.00 14.41 C ATOM 47 C HIS A 4 4.583 -22.264 16.756 1.00 74.44 C ATOM 48 O HIS A 4 4.431 -21.480 17.695 1.00 34.44 O ATOM 49 CB HIS A 4 5.517 -21.113 14.643 1.00 31.41 C ATOM 50 CG HIS A 4 4.279 -21.362 13.809 1.00 71.32 C ATOM 51 ND1 HIS A 4 4.272 -22.121 12.658 1.00 31.25 N ATOM 52 CD2 HIS A 4 3.025 -20.876 13.927 1.00 73.21 C ATOM 53 CE1 HIS A 4 3.068 -22.093 12.117 1.00 12.22 C ATOM 54 NE2 HIS A 4 2.296 -21.344 12.871 1.00 2.32 N ATOM 0 H HIS A 4 5.846 -23.688 14.407 1.00 55.45 H new ATOM 0 HA HIS A 4 6.610 -21.674 16.398 1.00 14.41 H new ATOM 0 HB2 HIS A 4 5.446 -20.109 15.062 1.00 31.41 H new ATOM 0 HB3 HIS A 4 6.380 -21.120 13.977 1.00 31.41 H new ATOM 0 HD2 HIS A 4 2.663 -20.232 14.715 1.00 73.21 H new ATOM 0 HE1 HIS A 4 2.769 -22.599 11.211 1.00 12.22 H new ATOM 0 HE2 HIS A 4 1.311 -21.144 12.696 1.00 2.32 H new ATOM 63 N HIS A 5 3.758 -23.319 16.492 1.00 74.45 N ATOM 64 CA HIS A 5 2.539 -23.704 17.273 1.00 32.00 C ATOM 65 C HIS A 5 1.736 -22.480 17.769 1.00 52.23 C ATOM 66 O HIS A 5 1.511 -22.300 18.970 1.00 14.25 O ATOM 67 CB HIS A 5 2.863 -24.729 18.421 1.00 0.42 C ATOM 68 CG HIS A 5 3.924 -24.284 19.408 1.00 43.41 C ATOM 69 ND1 HIS A 5 3.659 -23.474 20.494 1.00 10.42 N ATOM 70 CD2 HIS A 5 5.257 -24.533 19.456 1.00 20.22 C ATOM 71 CE1 HIS A 5 4.777 -23.246 21.154 1.00 41.10 C ATOM 72 NE2 HIS A 5 5.760 -23.877 20.548 1.00 71.51 N ATOM 0 H HIS A 5 3.927 -23.946 15.705 1.00 74.45 H new ATOM 0 HA HIS A 5 1.882 -24.226 16.577 1.00 32.00 H new ATOM 0 HB2 HIS A 5 1.944 -24.937 18.970 1.00 0.42 H new ATOM 0 HB3 HIS A 5 3.183 -25.667 17.968 1.00 0.42 H new ATOM 0 HD1 HIS A 5 2.741 -23.109 20.746 1.00 10.42 H new ATOM 0 HD2 HIS A 5 5.819 -25.138 18.760 1.00 20.22 H new ATOM 0 HE1 HIS A 5 4.871 -22.642 22.044 1.00 41.10 H new ATOM 81 N HIS A 6 1.306 -21.651 16.805 1.00 4.43 N ATOM 82 CA HIS A 6 0.701 -20.338 17.072 1.00 33.41 C ATOM 83 C HIS A 6 -0.152 -19.900 15.882 1.00 13.24 C ATOM 84 O HIS A 6 0.362 -19.780 14.770 1.00 61.43 O ATOM 85 CB HIS A 6 1.823 -19.291 17.324 1.00 40.24 C ATOM 86 CG HIS A 6 1.344 -17.867 17.507 1.00 22.33 C ATOM 87 ND1 HIS A 6 1.494 -16.892 16.541 1.00 51.54 N ATOM 88 CD2 HIS A 6 0.755 -17.253 18.559 1.00 44.15 C ATOM 89 CE1 HIS A 6 1.010 -15.753 16.990 1.00 33.54 C ATOM 90 NE2 HIS A 6 0.558 -15.943 18.211 1.00 41.11 N ATOM 0 H HIS A 6 1.369 -21.875 15.812 1.00 4.43 H new ATOM 0 HA HIS A 6 0.065 -20.412 17.954 1.00 33.41 H new ATOM 0 HB2 HIS A 6 2.382 -19.587 18.212 1.00 40.24 H new ATOM 0 HB3 HIS A 6 2.519 -19.319 16.486 1.00 40.24 H new ATOM 0 HD2 HIS A 6 0.489 -17.711 19.500 1.00 44.15 H new ATOM 0 HE1 HIS A 6 0.988 -14.820 16.447 1.00 33.54 H new ATOM 0 HE2 HIS A 6 0.130 -15.230 18.802 1.00 41.11 H new ATOM 99 N HIS A 7 -1.446 -19.670 16.117 1.00 42.14 N ATOM 100 CA HIS A 7 -2.314 -19.020 15.137 1.00 53.41 C ATOM 101 C HIS A 7 -1.845 -17.562 14.967 1.00 34.13 C ATOM 102 O HIS A 7 -1.786 -16.823 15.961 1.00 22.52 O ATOM 103 CB HIS A 7 -3.793 -19.076 15.603 1.00 53.41 C ATOM 104 CG HIS A 7 -4.768 -18.365 14.692 1.00 3.30 C ATOM 105 ND1 HIS A 7 -5.320 -18.958 13.580 1.00 45.43 N ATOM 106 CD2 HIS A 7 -5.289 -17.112 14.735 1.00 40.03 C ATOM 107 CE1 HIS A 7 -6.124 -18.105 12.981 1.00 3.03 C ATOM 108 NE2 HIS A 7 -6.123 -16.980 13.660 1.00 41.54 N ATOM 0 H HIS A 7 -1.917 -19.927 16.985 1.00 42.14 H new ATOM 0 HA HIS A 7 -2.253 -19.538 14.180 1.00 53.41 H new ATOM 0 HB2 HIS A 7 -4.093 -20.120 15.690 1.00 53.41 H new ATOM 0 HB3 HIS A 7 -3.863 -18.640 16.599 1.00 53.41 H new ATOM 0 HD2 HIS A 7 -5.083 -16.359 15.481 1.00 40.03 H new ATOM 0 HE1 HIS A 7 -6.690 -18.298 12.082 1.00 3.03 H new ATOM 0 HE2 HIS A 7 -6.658 -16.144 13.423 1.00 41.54 H new ATOM 117 N HIS A 8 -1.505 -17.180 13.715 1.00 61.14 N ATOM 118 CA HIS A 8 -0.974 -15.836 13.371 1.00 53.41 C ATOM 119 C HIS A 8 -1.915 -14.712 13.847 1.00 50.43 C ATOM 120 O HIS A 8 -3.144 -14.887 13.870 1.00 1.53 O ATOM 121 CB HIS A 8 -0.769 -15.693 11.833 1.00 64.14 C ATOM 122 CG HIS A 8 0.175 -16.690 11.215 1.00 5.13 C ATOM 123 ND1 HIS A 8 -0.240 -17.692 10.360 1.00 52.11 N ATOM 124 CD2 HIS A 8 1.522 -16.792 11.275 1.00 60.51 C ATOM 125 CE1 HIS A 8 0.807 -18.359 9.928 1.00 41.23 C ATOM 126 NE2 HIS A 8 1.884 -17.836 10.466 1.00 54.53 N ATOM 0 H HIS A 8 -1.591 -17.798 12.908 1.00 61.14 H new ATOM 0 HA HIS A 8 -0.016 -15.740 13.882 1.00 53.41 H new ATOM 0 HB2 HIS A 8 -1.739 -15.784 11.344 1.00 64.14 H new ATOM 0 HB3 HIS A 8 -0.399 -14.689 11.624 1.00 64.14 H new ATOM 0 HD2 HIS A 8 2.187 -16.167 11.852 1.00 60.51 H new ATOM 0 HE1 HIS A 8 0.785 -19.196 9.246 1.00 41.23 H new ATOM 0 HE2 HIS A 8 2.839 -18.156 10.307 1.00 54.53 H new ATOM 135 N SER A 9 -1.313 -13.568 14.209 1.00 20.21 N ATOM 136 CA SER A 9 -2.041 -12.350 14.581 1.00 3.52 C ATOM 137 C SER A 9 -2.920 -11.872 13.409 1.00 23.12 C ATOM 138 O SER A 9 -2.585 -12.117 12.242 1.00 11.33 O ATOM 139 CB SER A 9 -1.038 -11.249 14.992 1.00 2.13 C ATOM 140 OG SER A 9 -0.202 -11.677 16.061 1.00 21.41 O ATOM 0 H SER A 9 -0.299 -13.464 14.251 1.00 20.21 H new ATOM 0 HA SER A 9 -2.692 -12.568 15.428 1.00 3.52 H new ATOM 0 HB2 SER A 9 -0.423 -10.977 14.134 1.00 2.13 H new ATOM 0 HB3 SER A 9 -1.582 -10.353 15.291 1.00 2.13 H new ATOM 0 HG SER A 9 0.422 -10.959 16.296 1.00 21.41 H new ATOM 146 N HIS A 10 -4.035 -11.196 13.736 1.00 75.40 N ATOM 147 CA HIS A 10 -5.040 -10.738 12.753 1.00 33.22 C ATOM 148 C HIS A 10 -4.481 -9.551 11.924 1.00 54.21 C ATOM 149 O HIS A 10 -4.843 -8.388 12.150 1.00 64.45 O ATOM 150 CB HIS A 10 -6.365 -10.366 13.482 1.00 33.03 C ATOM 151 CG HIS A 10 -7.051 -11.521 14.180 1.00 12.32 C ATOM 152 ND1 HIS A 10 -8.255 -12.051 13.760 1.00 2.14 N ATOM 153 CD2 HIS A 10 -6.708 -12.228 15.286 1.00 63.33 C ATOM 154 CE1 HIS A 10 -8.616 -13.024 14.572 1.00 71.20 C ATOM 155 NE2 HIS A 10 -7.697 -13.150 15.502 1.00 33.15 N ATOM 0 H HIS A 10 -4.269 -10.949 14.698 1.00 75.40 H new ATOM 0 HA HIS A 10 -5.260 -11.546 12.056 1.00 33.22 H new ATOM 0 HB2 HIS A 10 -6.153 -9.590 14.217 1.00 33.03 H new ATOM 0 HB3 HIS A 10 -7.055 -9.937 12.755 1.00 33.03 H new ATOM 0 HD2 HIS A 10 -5.820 -12.089 15.885 1.00 63.33 H new ATOM 0 HE1 HIS A 10 -9.515 -13.617 14.487 1.00 71.20 H new ATOM 0 HE2 HIS A 10 -7.717 -13.827 16.264 1.00 33.15 H new ATOM 164 N MET A 11 -3.576 -9.900 10.979 1.00 40.11 N ATOM 165 CA MET A 11 -2.775 -8.968 10.160 1.00 24.14 C ATOM 166 C MET A 11 -2.133 -7.835 10.995 1.00 74.31 C ATOM 167 O MET A 11 -2.661 -6.715 11.065 1.00 15.34 O ATOM 168 CB MET A 11 -3.591 -8.422 8.955 1.00 32.32 C ATOM 169 CG MET A 11 -3.981 -9.494 7.919 1.00 40.15 C ATOM 170 SD MET A 11 -2.558 -10.412 7.282 1.00 31.22 S ATOM 171 CE MET A 11 -1.551 -9.111 6.573 1.00 74.41 C ATOM 0 H MET A 11 -3.379 -10.877 10.760 1.00 40.11 H new ATOM 0 HA MET A 11 -1.944 -9.545 9.754 1.00 24.14 H new ATOM 0 HB2 MET A 11 -4.498 -7.948 9.330 1.00 32.32 H new ATOM 0 HB3 MET A 11 -3.008 -7.647 8.457 1.00 32.32 H new ATOM 0 HG2 MET A 11 -4.683 -10.193 8.374 1.00 40.15 H new ATOM 0 HG3 MET A 11 -4.500 -9.016 7.088 1.00 40.15 H new ATOM 0 HE1 MET A 11 -0.709 -9.552 6.040 1.00 74.41 H new ATOM 0 HE2 MET A 11 -2.152 -8.523 5.879 1.00 74.41 H new ATOM 0 HE3 MET A 11 -1.178 -8.465 7.368 1.00 74.41 H new ATOM 181 N PHE A 12 -1.014 -8.170 11.669 1.00 41.43 N ATOM 182 CA PHE A 12 -0.222 -7.209 12.455 1.00 3.11 C ATOM 183 C PHE A 12 0.570 -6.307 11.488 1.00 11.43 C ATOM 184 O PHE A 12 1.355 -6.800 10.674 1.00 54.21 O ATOM 185 CB PHE A 12 0.711 -7.952 13.471 1.00 72.43 C ATOM 186 CG PHE A 12 1.767 -8.900 12.861 1.00 44.23 C ATOM 187 CD1 PHE A 12 1.413 -10.173 12.400 1.00 45.11 C ATOM 188 CD2 PHE A 12 3.109 -8.511 12.743 1.00 44.43 C ATOM 189 CE1 PHE A 12 2.359 -11.021 11.848 1.00 52.25 C ATOM 190 CE2 PHE A 12 4.051 -9.363 12.190 1.00 74.01 C ATOM 191 CZ PHE A 12 3.675 -10.616 11.742 1.00 53.13 C ATOM 0 H PHE A 12 -0.636 -9.117 11.682 1.00 41.43 H new ATOM 0 HA PHE A 12 -0.885 -6.581 13.050 1.00 3.11 H new ATOM 0 HB2 PHE A 12 1.229 -7.204 14.071 1.00 72.43 H new ATOM 0 HB3 PHE A 12 0.085 -8.529 14.152 1.00 72.43 H new ATOM 0 HD1 PHE A 12 0.386 -10.499 12.476 1.00 45.11 H new ATOM 0 HD2 PHE A 12 3.412 -7.534 13.088 1.00 44.43 H new ATOM 0 HE1 PHE A 12 2.067 -12.001 11.500 1.00 52.25 H new ATOM 0 HE2 PHE A 12 5.081 -9.048 12.109 1.00 74.01 H new ATOM 0 HZ PHE A 12 4.411 -11.278 11.309 1.00 53.13 H new ATOM 201 N ILE A 13 0.327 -4.985 11.548 1.00 75.22 N ATOM 202 CA ILE A 13 0.893 -4.013 10.594 1.00 33.22 C ATOM 203 C ILE A 13 1.662 -2.936 11.374 1.00 65.52 C ATOM 204 O ILE A 13 1.074 -2.233 12.208 1.00 1.52 O ATOM 205 CB ILE A 13 -0.229 -3.332 9.711 1.00 34.30 C ATOM 206 CG1 ILE A 13 -1.134 -4.402 9.023 1.00 23.53 C ATOM 207 CG2 ILE A 13 0.390 -2.373 8.656 1.00 73.12 C ATOM 208 CD1 ILE A 13 -2.378 -3.845 8.352 1.00 54.41 C ATOM 0 H ILE A 13 -0.268 -4.560 12.260 1.00 75.22 H new ATOM 0 HA ILE A 13 1.563 -4.547 9.920 1.00 33.22 H new ATOM 0 HB ILE A 13 -0.856 -2.740 10.377 1.00 34.30 H new ATOM 0 HG12 ILE A 13 -0.542 -4.933 8.277 1.00 23.53 H new ATOM 0 HG13 ILE A 13 -1.438 -5.135 9.770 1.00 23.53 H new ATOM 0 HG21 ILE A 13 -0.406 -1.920 8.065 1.00 73.12 H new ATOM 0 HG22 ILE A 13 0.955 -1.591 9.163 1.00 73.12 H new ATOM 0 HG23 ILE A 13 1.055 -2.934 8.000 1.00 73.12 H new ATOM 0 HD11 ILE A 13 -2.944 -4.660 7.902 1.00 54.41 H new ATOM 0 HD12 ILE A 13 -2.996 -3.340 9.094 1.00 54.41 H new ATOM 0 HD13 ILE A 13 -2.087 -3.135 7.578 1.00 54.41 H new ATOM 220 N GLN A 14 2.978 -2.829 11.120 1.00 23.35 N ATOM 221 CA GLN A 14 3.841 -1.815 11.748 1.00 73.35 C ATOM 222 C GLN A 14 4.237 -0.752 10.707 1.00 70.41 C ATOM 223 O GLN A 14 4.398 -1.060 9.520 1.00 21.23 O ATOM 224 CB GLN A 14 5.093 -2.473 12.402 1.00 43.21 C ATOM 225 CG GLN A 14 6.046 -3.197 11.438 1.00 53.41 C ATOM 226 CD GLN A 14 7.249 -3.833 12.143 1.00 41.10 C ATOM 227 OE1 GLN A 14 7.206 -5.000 12.548 1.00 65.04 O ATOM 228 NE2 GLN A 14 8.324 -3.068 12.320 1.00 1.14 N ATOM 0 H GLN A 14 3.473 -3.444 10.473 1.00 23.35 H new ATOM 0 HA GLN A 14 3.286 -1.323 12.547 1.00 73.35 H new ATOM 0 HB2 GLN A 14 5.655 -1.700 12.926 1.00 43.21 H new ATOM 0 HB3 GLN A 14 4.755 -3.187 13.153 1.00 43.21 H new ATOM 0 HG2 GLN A 14 5.494 -3.971 10.905 1.00 53.41 H new ATOM 0 HG3 GLN A 14 6.404 -2.489 10.691 1.00 53.41 H new ATOM 0 HE21 GLN A 14 8.330 -2.108 11.974 1.00 1.14 H new ATOM 0 HE22 GLN A 14 9.142 -3.442 12.801 1.00 1.14 H new ATOM 237 N THR A 15 4.380 0.499 11.161 1.00 11.34 N ATOM 238 CA THR A 15 4.765 1.629 10.314 1.00 52.42 C ATOM 239 C THR A 15 6.271 1.903 10.501 1.00 71.44 C ATOM 240 O THR A 15 6.718 2.249 11.601 1.00 72.43 O ATOM 241 CB THR A 15 3.909 2.900 10.659 1.00 62.41 C ATOM 242 OG1 THR A 15 3.904 3.124 12.080 1.00 13.41 O ATOM 243 CG2 THR A 15 2.451 2.774 10.174 1.00 60.31 C ATOM 0 H THR A 15 4.230 0.755 12.137 1.00 11.34 H new ATOM 0 HA THR A 15 4.573 1.385 9.269 1.00 52.42 H new ATOM 0 HB THR A 15 4.371 3.740 10.141 1.00 62.41 H new ATOM 0 HG1 THR A 15 4.766 2.851 12.457 1.00 13.41 H new ATOM 0 HG21 THR A 15 1.901 3.678 10.436 1.00 60.31 H new ATOM 0 HG22 THR A 15 2.438 2.642 9.092 1.00 60.31 H new ATOM 0 HG23 THR A 15 1.982 1.913 10.650 1.00 60.31 H new ATOM 251 N GLN A 16 7.036 1.722 9.418 1.00 31.23 N ATOM 252 CA GLN A 16 8.499 1.861 9.408 1.00 43.10 C ATOM 253 C GLN A 16 8.859 3.257 8.899 1.00 1.14 C ATOM 254 O GLN A 16 8.284 3.725 7.901 1.00 13.11 O ATOM 255 CB GLN A 16 9.126 0.764 8.507 1.00 13.41 C ATOM 256 CG GLN A 16 10.658 0.815 8.327 1.00 14.42 C ATOM 257 CD GLN A 16 11.443 0.685 9.633 1.00 42.21 C ATOM 258 OE1 GLN A 16 11.776 1.679 10.283 1.00 62.44 O ATOM 259 NE2 GLN A 16 11.732 -0.543 10.030 1.00 42.04 N ATOM 0 H GLN A 16 6.650 1.471 8.508 1.00 31.23 H new ATOM 0 HA GLN A 16 8.895 1.737 10.416 1.00 43.10 H new ATOM 0 HB2 GLN A 16 8.863 -0.209 8.921 1.00 13.41 H new ATOM 0 HB3 GLN A 16 8.664 0.826 7.522 1.00 13.41 H new ATOM 0 HG2 GLN A 16 10.961 0.015 7.652 1.00 14.42 H new ATOM 0 HG3 GLN A 16 10.926 1.756 7.846 1.00 14.42 H new ATOM 0 HE21 GLN A 16 11.441 -1.343 9.468 1.00 42.04 H new ATOM 0 HE22 GLN A 16 12.246 -0.690 10.899 1.00 42.04 H new ATOM 268 N ASP A 17 9.805 3.902 9.597 1.00 1.40 N ATOM 269 CA ASP A 17 10.270 5.260 9.293 1.00 60.33 C ATOM 270 C ASP A 17 10.883 5.329 7.877 1.00 32.33 C ATOM 271 O ASP A 17 11.764 4.530 7.532 1.00 20.13 O ATOM 272 CB ASP A 17 11.311 5.707 10.353 1.00 60.41 C ATOM 273 CG ASP A 17 11.785 7.163 10.164 1.00 31.32 C ATOM 274 OD1 ASP A 17 11.063 8.091 10.590 1.00 34.15 O ATOM 275 OD2 ASP A 17 12.872 7.393 9.583 1.00 32.15 O ATOM 0 H ASP A 17 10.275 3.487 10.401 1.00 1.40 H new ATOM 0 HA ASP A 17 9.415 5.935 9.323 1.00 60.33 H new ATOM 0 HB2 ASP A 17 10.877 5.599 11.347 1.00 60.41 H new ATOM 0 HB3 ASP A 17 12.174 5.042 10.308 1.00 60.41 H new ATOM 280 N THR A 18 10.393 6.286 7.071 1.00 54.01 N ATOM 281 CA THR A 18 10.830 6.513 5.675 1.00 23.11 C ATOM 282 C THR A 18 11.310 7.979 5.537 1.00 44.53 C ATOM 283 O THR A 18 10.655 8.873 6.086 1.00 65.25 O ATOM 284 CB THR A 18 9.649 6.235 4.679 1.00 51.31 C ATOM 285 OG1 THR A 18 8.480 6.910 5.149 1.00 45.51 O ATOM 286 CG2 THR A 18 9.335 4.733 4.524 1.00 71.22 C ATOM 0 H THR A 18 9.669 6.938 7.373 1.00 54.01 H new ATOM 0 HA THR A 18 11.646 5.832 5.432 1.00 23.11 H new ATOM 0 HB THR A 18 9.954 6.603 3.700 1.00 51.31 H new ATOM 0 HG1 THR A 18 8.731 7.785 5.513 1.00 45.51 H new ATOM 0 HG21 THR A 18 8.510 4.604 3.823 1.00 71.22 H new ATOM 0 HG22 THR A 18 10.216 4.214 4.147 1.00 71.22 H new ATOM 0 HG23 THR A 18 9.057 4.318 5.493 1.00 71.22 H new ATOM 294 N PRO A 19 12.434 8.258 4.791 1.00 14.51 N ATOM 295 CA PRO A 19 13.065 9.615 4.736 1.00 32.31 C ATOM 296 C PRO A 19 12.110 10.729 4.226 1.00 43.32 C ATOM 297 O PRO A 19 12.219 11.888 4.644 1.00 52.11 O ATOM 298 CB PRO A 19 14.267 9.417 3.772 1.00 54.55 C ATOM 299 CG PRO A 19 14.527 7.936 3.777 1.00 3.21 C ATOM 300 CD PRO A 19 13.169 7.289 3.937 1.00 11.43 C ATOM 0 HA PRO A 19 13.351 9.960 5.730 1.00 32.31 H new ATOM 0 HB2 PRO A 19 14.032 9.773 2.769 1.00 54.55 H new ATOM 0 HB3 PRO A 19 15.141 9.973 4.111 1.00 54.55 H new ATOM 0 HG2 PRO A 19 15.007 7.618 2.851 1.00 3.21 H new ATOM 0 HG3 PRO A 19 15.193 7.657 4.593 1.00 3.21 H new ATOM 0 HD2 PRO A 19 12.676 7.143 2.976 1.00 11.43 H new ATOM 0 HD3 PRO A 19 13.242 6.309 4.409 1.00 11.43 H new ATOM 308 N ASN A 20 11.188 10.357 3.319 1.00 51.31 N ATOM 309 CA ASN A 20 10.195 11.286 2.735 1.00 53.15 C ATOM 310 C ASN A 20 8.906 11.294 3.590 1.00 12.21 C ATOM 311 O ASN A 20 8.402 10.212 3.912 1.00 53.10 O ATOM 312 CB ASN A 20 9.854 10.861 1.280 1.00 44.24 C ATOM 313 CG ASN A 20 11.089 10.769 0.373 1.00 70.53 C ATOM 314 OD1 ASN A 20 11.771 9.740 0.337 1.00 51.12 O ATOM 315 ND2 ASN A 20 11.387 11.825 -0.374 1.00 24.45 N ATOM 0 H ASN A 20 11.108 9.403 2.968 1.00 51.31 H new ATOM 0 HA ASN A 20 10.622 12.289 2.723 1.00 53.15 H new ATOM 0 HB2 ASN A 20 9.352 9.894 1.299 1.00 44.24 H new ATOM 0 HB3 ASN A 20 9.151 11.577 0.854 1.00 44.24 H new ATOM 0 HD21 ASN A 20 12.195 11.798 -0.996 1.00 24.45 H new ATOM 0 HD22 ASN A 20 10.808 12.663 -0.326 1.00 24.45 H new ATOM 322 N PRO A 21 8.371 12.500 4.002 1.00 12.43 N ATOM 323 CA PRO A 21 7.040 12.619 4.669 1.00 62.21 C ATOM 324 C PRO A 21 5.872 12.120 3.787 1.00 12.41 C ATOM 325 O PRO A 21 4.873 11.606 4.308 1.00 41.35 O ATOM 326 CB PRO A 21 6.909 14.141 4.973 1.00 0.45 C ATOM 327 CG PRO A 21 7.915 14.812 4.085 1.00 11.33 C ATOM 328 CD PRO A 21 9.051 13.822 3.929 1.00 42.24 C ATOM 0 HA PRO A 21 6.984 11.995 5.561 1.00 62.21 H new ATOM 0 HB2 PRO A 21 5.901 14.498 4.764 1.00 0.45 H new ATOM 0 HB3 PRO A 21 7.110 14.351 6.024 1.00 0.45 H new ATOM 0 HG2 PRO A 21 7.478 15.062 3.118 1.00 11.33 H new ATOM 0 HG3 PRO A 21 8.266 15.744 4.527 1.00 11.33 H new ATOM 0 HD2 PRO A 21 9.571 13.954 2.980 1.00 42.24 H new ATOM 0 HD3 PRO A 21 9.794 13.936 4.718 1.00 42.24 H new ATOM 336 N ASN A 22 6.008 12.273 2.448 1.00 62.32 N ATOM 337 CA ASN A 22 5.001 11.786 1.475 1.00 71.30 C ATOM 338 C ASN A 22 4.952 10.254 1.446 1.00 43.11 C ATOM 339 O ASN A 22 3.914 9.674 1.139 1.00 34.03 O ATOM 340 CB ASN A 22 5.269 12.336 0.039 1.00 3.44 C ATOM 341 CG ASN A 22 4.836 13.790 -0.153 1.00 3.34 C ATOM 342 OD1 ASN A 22 3.872 14.248 0.457 1.00 75.13 O ATOM 343 ND2 ASN A 22 5.531 14.521 -1.013 1.00 63.24 N ATOM 0 H ASN A 22 6.810 12.732 2.016 1.00 62.32 H new ATOM 0 HA ASN A 22 4.034 12.162 1.809 1.00 71.30 H new ATOM 0 HB2 ASN A 22 6.333 12.251 -0.180 1.00 3.44 H new ATOM 0 HB3 ASN A 22 4.744 11.711 -0.684 1.00 3.44 H new ATOM 0 HD21 ASN A 22 5.271 15.492 -1.184 1.00 63.24 H new ATOM 0 HD22 ASN A 22 6.326 14.112 -1.504 1.00 63.24 H new ATOM 350 N SER A 23 6.083 9.614 1.758 1.00 73.34 N ATOM 351 CA SER A 23 6.206 8.151 1.785 1.00 31.02 C ATOM 352 C SER A 23 6.032 7.641 3.229 1.00 72.24 C ATOM 353 O SER A 23 6.363 8.351 4.180 1.00 10.23 O ATOM 354 CB SER A 23 7.594 7.759 1.221 1.00 52.43 C ATOM 355 OG SER A 23 7.763 6.359 1.128 1.00 33.21 O ATOM 0 H SER A 23 6.947 10.099 2.001 1.00 73.34 H new ATOM 0 HA SER A 23 5.430 7.694 1.170 1.00 31.02 H new ATOM 0 HB2 SER A 23 7.721 8.204 0.234 1.00 52.43 H new ATOM 0 HB3 SER A 23 8.373 8.174 1.860 1.00 52.43 H new ATOM 0 HG SER A 23 8.652 6.160 0.766 1.00 33.21 H new ATOM 361 N LEU A 24 5.421 6.457 3.384 1.00 20.43 N ATOM 362 CA LEU A 24 5.463 5.686 4.647 1.00 52.41 C ATOM 363 C LEU A 24 5.304 4.198 4.337 1.00 24.31 C ATOM 364 O LEU A 24 4.502 3.815 3.482 1.00 43.34 O ATOM 365 CB LEU A 24 4.372 6.150 5.652 1.00 55.23 C ATOM 366 CG LEU A 24 4.420 5.520 7.084 1.00 31.34 C ATOM 367 CD1 LEU A 24 5.736 5.861 7.816 1.00 30.20 C ATOM 368 CD2 LEU A 24 3.188 5.942 7.912 1.00 43.11 C ATOM 0 H LEU A 24 4.885 6.004 2.644 1.00 20.43 H new ATOM 0 HA LEU A 24 6.428 5.865 5.121 1.00 52.41 H new ATOM 0 HB2 LEU A 24 4.443 7.233 5.754 1.00 55.23 H new ATOM 0 HB3 LEU A 24 3.396 5.934 5.218 1.00 55.23 H new ATOM 0 HG LEU A 24 4.392 4.437 6.968 1.00 31.34 H new ATOM 0 HD11 LEU A 24 5.730 5.405 8.806 1.00 30.20 H new ATOM 0 HD12 LEU A 24 6.581 5.476 7.244 1.00 30.20 H new ATOM 0 HD13 LEU A 24 5.828 6.943 7.915 1.00 30.20 H new ATOM 0 HD21 LEU A 24 3.244 5.492 8.903 1.00 43.11 H new ATOM 0 HD22 LEU A 24 3.168 7.028 8.007 1.00 43.11 H new ATOM 0 HD23 LEU A 24 2.280 5.605 7.411 1.00 43.11 H new ATOM 380 N LYS A 25 6.080 3.368 5.040 1.00 33.52 N ATOM 381 CA LYS A 25 6.131 1.920 4.818 1.00 62.21 C ATOM 382 C LYS A 25 5.241 1.196 5.854 1.00 54.34 C ATOM 383 O LYS A 25 5.343 1.451 7.050 1.00 33.23 O ATOM 384 CB LYS A 25 7.607 1.457 4.907 1.00 42.42 C ATOM 385 CG LYS A 25 7.854 -0.027 4.575 1.00 71.31 C ATOM 386 CD LYS A 25 9.356 -0.439 4.604 1.00 23.21 C ATOM 387 CE LYS A 25 10.166 -0.005 3.359 1.00 44.33 C ATOM 388 NZ LYS A 25 10.231 1.475 3.173 1.00 2.34 N ATOM 0 H LYS A 25 6.697 3.686 5.787 1.00 33.52 H new ATOM 0 HA LYS A 25 5.746 1.672 3.829 1.00 62.21 H new ATOM 0 HB2 LYS A 25 8.203 2.068 4.229 1.00 42.42 H new ATOM 0 HB3 LYS A 25 7.971 1.652 5.916 1.00 42.42 H new ATOM 0 HG2 LYS A 25 7.304 -0.644 5.285 1.00 71.31 H new ATOM 0 HG3 LYS A 25 7.448 -0.240 3.586 1.00 71.31 H new ATOM 0 HD2 LYS A 25 9.820 -0.009 5.492 1.00 23.21 H new ATOM 0 HD3 LYS A 25 9.420 -1.523 4.704 1.00 23.21 H new ATOM 0 HE2 LYS A 25 11.180 -0.397 3.441 1.00 44.33 H new ATOM 0 HE3 LYS A 25 9.721 -0.455 2.472 1.00 44.33 H new ATOM 0 HZ1 LYS A 25 11.099 1.722 2.656 1.00 2.34 H new ATOM 0 HZ2 LYS A 25 9.403 1.793 2.631 1.00 2.34 H new ATOM 0 HZ3 LYS A 25 10.236 1.942 4.102 1.00 2.34 H new ATOM 402 N PHE A 26 4.348 0.328 5.364 1.00 63.53 N ATOM 403 CA PHE A 26 3.416 -0.468 6.189 1.00 13.22 C ATOM 404 C PHE A 26 3.754 -1.961 6.022 1.00 40.12 C ATOM 405 O PHE A 26 3.388 -2.560 5.007 1.00 40.22 O ATOM 406 CB PHE A 26 1.938 -0.197 5.756 1.00 12.44 C ATOM 407 CG PHE A 26 1.476 1.260 5.896 1.00 13.14 C ATOM 408 CD1 PHE A 26 1.780 2.214 4.917 1.00 21.54 C ATOM 409 CD2 PHE A 26 0.738 1.675 7.006 1.00 34.44 C ATOM 410 CE1 PHE A 26 1.364 3.527 5.048 1.00 5.23 C ATOM 411 CE2 PHE A 26 0.323 2.991 7.133 1.00 0.10 C ATOM 412 CZ PHE A 26 0.637 3.914 6.157 1.00 32.15 C ATOM 0 H PHE A 26 4.247 0.152 4.364 1.00 63.53 H new ATOM 0 HA PHE A 26 3.521 -0.182 7.236 1.00 13.22 H new ATOM 0 HB2 PHE A 26 1.819 -0.502 4.716 1.00 12.44 H new ATOM 0 HB3 PHE A 26 1.279 -0.830 6.351 1.00 12.44 H new ATOM 0 HD1 PHE A 26 2.348 1.920 4.046 1.00 21.54 H new ATOM 0 HD2 PHE A 26 0.487 0.961 7.776 1.00 34.44 H new ATOM 0 HE1 PHE A 26 1.608 4.249 4.283 1.00 5.23 H new ATOM 0 HE2 PHE A 26 -0.248 3.295 7.998 1.00 0.10 H new ATOM 0 HZ PHE A 26 0.314 4.940 6.260 1.00 32.15 H new ATOM 422 N ILE A 27 4.484 -2.539 6.993 1.00 11.13 N ATOM 423 CA ILE A 27 4.825 -3.979 7.004 1.00 25.54 C ATOM 424 C ILE A 27 3.599 -4.757 7.514 1.00 74.04 C ATOM 425 O ILE A 27 3.277 -4.642 8.695 1.00 43.21 O ATOM 426 CB ILE A 27 6.083 -4.317 7.926 1.00 11.33 C ATOM 427 CG1 ILE A 27 7.405 -3.668 7.390 1.00 23.13 C ATOM 428 CG2 ILE A 27 6.280 -5.848 8.121 1.00 51.12 C ATOM 429 CD1 ILE A 27 7.502 -2.169 7.582 1.00 65.53 C ATOM 0 H ILE A 27 4.855 -2.025 7.792 1.00 11.13 H new ATOM 0 HA ILE A 27 5.094 -4.267 5.988 1.00 25.54 H new ATOM 0 HB ILE A 27 5.860 -3.879 8.899 1.00 11.33 H new ATOM 0 HG12 ILE A 27 8.252 -4.139 7.888 1.00 23.13 H new ATOM 0 HG13 ILE A 27 7.497 -3.890 6.327 1.00 23.13 H new ATOM 0 HG21 ILE A 27 7.148 -6.025 8.755 1.00 51.12 H new ATOM 0 HG22 ILE A 27 5.393 -6.272 8.593 1.00 51.12 H new ATOM 0 HG23 ILE A 27 6.436 -6.321 7.152 1.00 51.12 H new ATOM 0 HD11 ILE A 27 8.450 -1.811 7.180 1.00 65.53 H new ATOM 0 HD12 ILE A 27 6.679 -1.681 7.059 1.00 65.53 H new ATOM 0 HD13 ILE A 27 7.446 -1.934 8.645 1.00 65.53 H new ATOM 441 N PRO A 28 2.884 -5.547 6.650 1.00 73.41 N ATOM 442 CA PRO A 28 1.710 -6.340 7.085 1.00 10.32 C ATOM 443 C PRO A 28 2.107 -7.702 7.691 1.00 53.54 C ATOM 444 O PRO A 28 1.240 -8.501 8.075 1.00 15.24 O ATOM 445 CB PRO A 28 0.940 -6.499 5.759 1.00 4.44 C ATOM 446 CG PRO A 28 2.014 -6.638 4.721 1.00 3.32 C ATOM 447 CD PRO A 28 3.142 -5.730 5.184 1.00 54.20 C ATOM 0 HA PRO A 28 1.134 -5.868 7.881 1.00 10.32 H new ATOM 0 HB2 PRO A 28 0.290 -7.374 5.779 1.00 4.44 H new ATOM 0 HB3 PRO A 28 0.305 -5.635 5.562 1.00 4.44 H new ATOM 0 HG2 PRO A 28 2.350 -7.672 4.639 1.00 3.32 H new ATOM 0 HG3 PRO A 28 1.650 -6.342 3.737 1.00 3.32 H new ATOM 0 HD2 PRO A 28 4.117 -6.182 5.004 1.00 54.20 H new ATOM 0 HD3 PRO A 28 3.130 -4.777 4.655 1.00 54.20 H new ATOM 455 N GLY A 29 3.426 -7.962 7.756 1.00 14.00 N ATOM 456 CA GLY A 29 3.968 -9.237 8.221 1.00 13.43 C ATOM 457 C GLY A 29 4.143 -10.237 7.086 1.00 3.13 C ATOM 458 O GLY A 29 5.159 -10.932 7.019 1.00 61.54 O ATOM 0 H GLY A 29 4.141 -7.287 7.485 1.00 14.00 H new ATOM 0 HA2 GLY A 29 4.930 -9.066 8.704 1.00 13.43 H new ATOM 0 HA3 GLY A 29 3.303 -9.659 8.975 1.00 13.43 H new ATOM 462 N LYS A 30 3.136 -10.311 6.197 1.00 11.54 N ATOM 463 CA LYS A 30 3.152 -11.215 5.037 1.00 14.23 C ATOM 464 C LYS A 30 4.129 -10.717 3.945 1.00 12.31 C ATOM 465 O LYS A 30 4.127 -9.520 3.624 1.00 63.41 O ATOM 466 CB LYS A 30 1.722 -11.365 4.442 1.00 35.11 C ATOM 467 CG LYS A 30 0.707 -12.079 5.365 1.00 1.33 C ATOM 468 CD LYS A 30 1.153 -13.499 5.789 1.00 60.53 C ATOM 469 CE LYS A 30 1.365 -14.464 4.603 1.00 21.15 C ATOM 470 NZ LYS A 30 0.116 -14.714 3.831 1.00 15.31 N ATOM 0 H LYS A 30 2.290 -9.745 6.264 1.00 11.54 H new ATOM 0 HA LYS A 30 3.498 -12.189 5.384 1.00 14.23 H new ATOM 0 HB2 LYS A 30 1.338 -10.374 4.201 1.00 35.11 H new ATOM 0 HB3 LYS A 30 1.790 -11.917 3.504 1.00 35.11 H new ATOM 0 HG2 LYS A 30 0.551 -11.474 6.258 1.00 1.33 H new ATOM 0 HG3 LYS A 30 -0.253 -12.146 4.854 1.00 1.33 H new ATOM 0 HD2 LYS A 30 2.081 -13.424 6.355 1.00 60.53 H new ATOM 0 HD3 LYS A 30 0.404 -13.920 6.459 1.00 60.53 H new ATOM 0 HE2 LYS A 30 2.122 -14.052 3.936 1.00 21.15 H new ATOM 0 HE3 LYS A 30 1.751 -15.412 4.977 1.00 21.15 H new ATOM 0 HZ1 LYS A 30 0.317 -15.368 3.048 1.00 15.31 H new ATOM 0 HZ2 LYS A 30 -0.601 -15.133 4.457 1.00 15.31 H new ATOM 0 HZ3 LYS A 30 -0.241 -13.815 3.449 1.00 15.31 H new ATOM 484 N PRO A 31 4.984 -11.628 3.371 1.00 43.23 N ATOM 485 CA PRO A 31 5.873 -11.290 2.236 1.00 12.33 C ATOM 486 C PRO A 31 5.067 -11.011 0.953 1.00 71.14 C ATOM 487 O PRO A 31 4.717 -11.936 0.202 1.00 54.34 O ATOM 488 CB PRO A 31 6.795 -12.535 2.112 1.00 43.11 C ATOM 489 CG PRO A 31 6.018 -13.663 2.720 1.00 23.41 C ATOM 490 CD PRO A 31 5.171 -13.040 3.812 1.00 61.43 C ATOM 0 HA PRO A 31 6.445 -10.375 2.394 1.00 12.33 H new ATOM 0 HB2 PRO A 31 7.039 -12.742 1.070 1.00 43.11 H new ATOM 0 HB3 PRO A 31 7.738 -12.380 2.635 1.00 43.11 H new ATOM 0 HG2 PRO A 31 5.394 -14.155 1.974 1.00 23.41 H new ATOM 0 HG3 PRO A 31 6.685 -14.422 3.128 1.00 23.41 H new ATOM 0 HD2 PRO A 31 4.216 -13.554 3.917 1.00 61.43 H new ATOM 0 HD3 PRO A 31 5.669 -13.092 4.780 1.00 61.43 H new ATOM 498 N VAL A 32 4.717 -9.724 0.747 1.00 62.13 N ATOM 499 CA VAL A 32 3.898 -9.300 -0.400 1.00 24.12 C ATOM 500 C VAL A 32 4.689 -9.447 -1.720 1.00 64.55 C ATOM 501 O VAL A 32 4.132 -9.869 -2.738 1.00 12.24 O ATOM 502 CB VAL A 32 3.319 -7.841 -0.210 1.00 52.11 C ATOM 503 CG1 VAL A 32 2.514 -7.740 1.108 1.00 60.03 C ATOM 504 CG2 VAL A 32 4.402 -6.753 -0.267 1.00 10.02 C ATOM 0 H VAL A 32 4.992 -8.960 1.365 1.00 62.13 H new ATOM 0 HA VAL A 32 3.035 -9.963 -0.456 1.00 24.12 H new ATOM 0 HB VAL A 32 2.651 -7.660 -1.052 1.00 52.11 H new ATOM 0 HG11 VAL A 32 2.124 -6.728 1.220 1.00 60.03 H new ATOM 0 HG12 VAL A 32 1.685 -8.447 1.083 1.00 60.03 H new ATOM 0 HG13 VAL A 32 3.165 -7.973 1.951 1.00 60.03 H new ATOM 0 HG21 VAL A 32 3.942 -5.774 -0.130 1.00 10.02 H new ATOM 0 HG22 VAL A 32 5.132 -6.925 0.524 1.00 10.02 H new ATOM 0 HG23 VAL A 32 4.901 -6.787 -1.235 1.00 10.02 H new ATOM 514 N LEU A 33 5.996 -9.132 -1.671 1.00 62.32 N ATOM 515 CA LEU A 33 6.952 -9.389 -2.766 1.00 42.05 C ATOM 516 C LEU A 33 8.343 -9.674 -2.172 1.00 62.33 C ATOM 517 O LEU A 33 9.207 -8.798 -2.130 1.00 52.15 O ATOM 518 CB LEU A 33 7.031 -8.199 -3.774 1.00 73.42 C ATOM 519 CG LEU A 33 5.852 -8.016 -4.775 1.00 33.14 C ATOM 520 CD1 LEU A 33 6.077 -6.772 -5.646 1.00 35.04 C ATOM 521 CD2 LEU A 33 5.645 -9.270 -5.650 1.00 23.13 C ATOM 0 H LEU A 33 6.424 -8.686 -0.860 1.00 62.32 H new ATOM 0 HA LEU A 33 6.598 -10.256 -3.323 1.00 42.05 H new ATOM 0 HB2 LEU A 33 7.128 -7.278 -3.198 1.00 73.42 H new ATOM 0 HB3 LEU A 33 7.948 -8.311 -4.353 1.00 73.42 H new ATOM 0 HG LEU A 33 4.941 -7.874 -4.193 1.00 33.14 H new ATOM 0 HD11 LEU A 33 5.244 -6.658 -6.340 1.00 35.04 H new ATOM 0 HD12 LEU A 33 6.142 -5.889 -5.010 1.00 35.04 H new ATOM 0 HD13 LEU A 33 7.005 -6.884 -6.207 1.00 35.04 H new ATOM 0 HD21 LEU A 33 4.814 -9.103 -6.335 1.00 23.13 H new ATOM 0 HD22 LEU A 33 6.552 -9.469 -6.221 1.00 23.13 H new ATOM 0 HD23 LEU A 33 5.423 -10.126 -5.013 1.00 23.13 H new ATOM 533 N GLU A 34 8.531 -10.894 -1.668 1.00 43.31 N ATOM 534 CA GLU A 34 9.846 -11.381 -1.198 1.00 4.31 C ATOM 535 C GLU A 34 10.703 -11.848 -2.408 1.00 11.43 C ATOM 536 O GLU A 34 11.901 -12.121 -2.272 1.00 14.10 O ATOM 537 CB GLU A 34 9.625 -12.520 -0.155 1.00 54.33 C ATOM 538 CG GLU A 34 10.896 -13.179 0.437 1.00 51.31 C ATOM 539 CD GLU A 34 11.830 -12.211 1.202 1.00 53.12 C ATOM 540 OE1 GLU A 34 12.697 -11.562 0.568 1.00 41.51 O ATOM 541 OE2 GLU A 34 11.725 -12.113 2.440 1.00 4.51 O ATOM 0 H GLU A 34 7.782 -11.579 -1.570 1.00 43.31 H new ATOM 0 HA GLU A 34 10.396 -10.577 -0.708 1.00 4.31 H new ATOM 0 HB2 GLU A 34 9.036 -12.117 0.669 1.00 54.33 H new ATOM 0 HB3 GLU A 34 9.025 -13.299 -0.625 1.00 54.33 H new ATOM 0 HG2 GLU A 34 10.593 -13.979 1.112 1.00 51.31 H new ATOM 0 HG3 GLU A 34 11.460 -13.642 -0.373 1.00 51.31 H new ATOM 548 N THR A 35 10.078 -11.939 -3.598 1.00 12.00 N ATOM 549 CA THR A 35 10.776 -12.317 -4.837 1.00 24.24 C ATOM 550 C THR A 35 11.319 -11.076 -5.598 1.00 72.44 C ATOM 551 O THR A 35 12.316 -11.189 -6.323 1.00 62.23 O ATOM 552 CB THR A 35 9.851 -13.188 -5.765 1.00 3.44 C ATOM 553 OG1 THR A 35 10.618 -13.721 -6.864 1.00 21.24 O ATOM 554 CG2 THR A 35 8.643 -12.402 -6.319 1.00 31.35 C ATOM 0 H THR A 35 9.083 -11.754 -3.725 1.00 12.00 H new ATOM 0 HA THR A 35 11.636 -12.923 -4.550 1.00 24.24 H new ATOM 0 HB THR A 35 9.458 -13.995 -5.147 1.00 3.44 H new ATOM 0 HG1 THR A 35 10.036 -14.263 -7.436 1.00 21.24 H new ATOM 0 HG21 THR A 35 8.043 -13.056 -6.952 1.00 31.35 H new ATOM 0 HG22 THR A 35 8.034 -12.039 -5.491 1.00 31.35 H new ATOM 0 HG23 THR A 35 8.998 -11.555 -6.906 1.00 31.35 H new ATOM 562 N ARG A 36 10.682 -9.888 -5.409 1.00 74.43 N ATOM 563 CA ARG A 36 11.024 -8.664 -6.184 1.00 50.32 C ATOM 564 C ARG A 36 10.432 -7.389 -5.543 1.00 51.45 C ATOM 565 O ARG A 36 10.054 -7.388 -4.372 1.00 31.32 O ATOM 566 CB ARG A 36 10.519 -8.819 -7.652 1.00 12.12 C ATOM 567 CG ARG A 36 8.978 -8.840 -7.794 1.00 62.11 C ATOM 568 CD ARG A 36 8.515 -9.113 -9.231 1.00 34.13 C ATOM 569 NE ARG A 36 8.959 -8.086 -10.192 1.00 13.14 N ATOM 570 CZ ARG A 36 8.571 -8.034 -11.480 1.00 33.23 C ATOM 571 NH1 ARG A 36 7.729 -8.944 -11.982 1.00 1.40 N ATOM 572 NH2 ARG A 36 9.034 -7.071 -12.268 1.00 10.44 N ATOM 0 H ARG A 36 9.933 -9.753 -4.730 1.00 74.43 H new ATOM 0 HA ARG A 36 12.108 -8.552 -6.178 1.00 50.32 H new ATOM 0 HB2 ARG A 36 10.917 -7.999 -8.250 1.00 12.12 H new ATOM 0 HB3 ARG A 36 10.924 -9.742 -8.068 1.00 12.12 H new ATOM 0 HG2 ARG A 36 8.568 -9.604 -7.134 1.00 62.11 H new ATOM 0 HG3 ARG A 36 8.575 -7.883 -7.463 1.00 62.11 H new ATOM 0 HD2 ARG A 36 8.892 -10.085 -9.548 1.00 34.13 H new ATOM 0 HD3 ARG A 36 7.427 -9.172 -9.250 1.00 34.13 H new ATOM 0 HE ARG A 36 9.602 -7.368 -9.859 1.00 13.14 H new ATOM 0 HH11 ARG A 36 7.371 -9.691 -11.387 1.00 1.40 H new ATOM 0 HH12 ARG A 36 7.445 -8.891 -12.960 1.00 1.40 H new ATOM 0 HH21 ARG A 36 9.681 -6.375 -11.897 1.00 10.44 H new ATOM 0 HH22 ARG A 36 8.743 -7.027 -13.245 1.00 10.44 H new ATOM 586 N THR A 37 10.422 -6.291 -6.320 1.00 43.31 N ATOM 587 CA THR A 37 9.697 -5.050 -6.001 1.00 4.51 C ATOM 588 C THR A 37 8.885 -4.600 -7.241 1.00 44.00 C ATOM 589 O THR A 37 9.315 -4.821 -8.379 1.00 74.02 O ATOM 590 CB THR A 37 10.691 -3.920 -5.551 1.00 54.42 C ATOM 591 OG1 THR A 37 11.856 -3.925 -6.401 1.00 51.15 O ATOM 592 CG2 THR A 37 11.135 -4.067 -4.083 1.00 34.11 C ATOM 0 H THR A 37 10.928 -6.242 -7.204 1.00 43.31 H new ATOM 0 HA THR A 37 9.015 -5.239 -5.172 1.00 4.51 H new ATOM 0 HB THR A 37 10.156 -2.975 -5.640 1.00 54.42 H new ATOM 0 HG1 THR A 37 12.471 -3.217 -6.117 1.00 51.15 H new ATOM 0 HG21 THR A 37 11.821 -3.259 -3.828 1.00 34.11 H new ATOM 0 HG22 THR A 37 10.262 -4.021 -3.432 1.00 34.11 H new ATOM 0 HG23 THR A 37 11.637 -5.025 -3.949 1.00 34.11 H new ATOM 600 N MET A 38 7.704 -3.979 -7.019 1.00 11.15 N ATOM 601 CA MET A 38 6.798 -3.521 -8.104 1.00 4.23 C ATOM 602 C MET A 38 6.139 -2.189 -7.698 1.00 54.12 C ATOM 603 O MET A 38 5.533 -2.088 -6.625 1.00 41.12 O ATOM 604 CB MET A 38 5.703 -4.586 -8.456 1.00 71.54 C ATOM 605 CG MET A 38 6.215 -5.832 -9.212 1.00 14.12 C ATOM 606 SD MET A 38 4.949 -7.109 -9.456 1.00 14.00 S ATOM 607 CE MET A 38 3.814 -6.326 -10.605 1.00 53.33 C ATOM 0 H MET A 38 7.350 -3.780 -6.083 1.00 11.15 H new ATOM 0 HA MET A 38 7.400 -3.378 -9.001 1.00 4.23 H new ATOM 0 HB2 MET A 38 5.226 -4.912 -7.532 1.00 71.54 H new ATOM 0 HB3 MET A 38 4.933 -4.106 -9.060 1.00 71.54 H new ATOM 0 HG2 MET A 38 6.599 -5.524 -10.184 1.00 14.12 H new ATOM 0 HG3 MET A 38 7.051 -6.262 -8.661 1.00 14.12 H new ATOM 0 HE1 MET A 38 2.804 -6.354 -10.195 1.00 53.33 H new ATOM 0 HE2 MET A 38 4.113 -5.290 -10.762 1.00 53.33 H new ATOM 0 HE3 MET A 38 3.835 -6.858 -11.556 1.00 53.33 H new ATOM 617 N ASP A 39 6.277 -1.176 -8.570 1.00 12.32 N ATOM 618 CA ASP A 39 5.732 0.178 -8.353 1.00 33.42 C ATOM 619 C ASP A 39 4.482 0.382 -9.224 1.00 22.22 C ATOM 620 O ASP A 39 4.399 -0.129 -10.348 1.00 4.53 O ATOM 621 CB ASP A 39 6.804 1.266 -8.664 1.00 15.52 C ATOM 622 CG ASP A 39 7.213 1.336 -10.148 1.00 35.01 C ATOM 623 OD1 ASP A 39 8.062 0.531 -10.582 1.00 43.13 O ATOM 624 OD2 ASP A 39 6.669 2.177 -10.899 1.00 51.25 O ATOM 0 H ASP A 39 6.775 -1.274 -9.455 1.00 12.32 H new ATOM 0 HA ASP A 39 5.452 0.278 -7.304 1.00 33.42 H new ATOM 0 HB2 ASP A 39 6.419 2.239 -8.357 1.00 15.52 H new ATOM 0 HB3 ASP A 39 7.691 1.070 -8.062 1.00 15.52 H new ATOM 629 N PHE A 40 3.506 1.107 -8.671 1.00 71.33 N ATOM 630 CA PHE A 40 2.256 1.480 -9.355 1.00 14.41 C ATOM 631 C PHE A 40 2.048 2.994 -9.183 1.00 12.33 C ATOM 632 O PHE A 40 1.490 3.429 -8.169 1.00 1.11 O ATOM 633 CB PHE A 40 1.057 0.658 -8.789 1.00 14.32 C ATOM 634 CG PHE A 40 1.285 -0.848 -8.888 1.00 13.40 C ATOM 635 CD1 PHE A 40 1.146 -1.505 -10.110 1.00 35.42 C ATOM 636 CD2 PHE A 40 1.699 -1.594 -7.782 1.00 63.02 C ATOM 637 CE1 PHE A 40 1.398 -2.855 -10.221 1.00 71.10 C ATOM 638 CE2 PHE A 40 1.959 -2.943 -7.901 1.00 62.22 C ATOM 639 CZ PHE A 40 1.806 -3.575 -9.119 1.00 33.53 C ATOM 0 H PHE A 40 3.560 1.460 -7.716 1.00 71.33 H new ATOM 0 HA PHE A 40 2.318 1.249 -10.418 1.00 14.41 H new ATOM 0 HB2 PHE A 40 0.894 0.930 -7.746 1.00 14.32 H new ATOM 0 HB3 PHE A 40 0.150 0.922 -9.333 1.00 14.32 H new ATOM 0 HD1 PHE A 40 0.836 -0.948 -10.982 1.00 35.42 H new ATOM 0 HD2 PHE A 40 1.817 -1.109 -6.824 1.00 63.02 H new ATOM 0 HE1 PHE A 40 1.276 -3.350 -11.173 1.00 71.10 H new ATOM 0 HE2 PHE A 40 2.283 -3.507 -7.039 1.00 62.22 H new ATOM 0 HZ PHE A 40 2.006 -4.633 -9.208 1.00 33.53 H new ATOM 649 N PRO A 41 2.566 3.828 -10.141 1.00 31.44 N ATOM 650 CA PRO A 41 2.461 5.302 -10.048 1.00 63.45 C ATOM 651 C PRO A 41 1.042 5.828 -10.367 1.00 53.34 C ATOM 652 O PRO A 41 0.684 6.933 -9.959 1.00 2.14 O ATOM 653 CB PRO A 41 3.509 5.787 -11.078 1.00 50.22 C ATOM 654 CG PRO A 41 3.547 4.706 -12.121 1.00 14.14 C ATOM 655 CD PRO A 41 3.312 3.405 -11.373 1.00 61.55 C ATOM 0 HA PRO A 41 2.644 5.671 -9.039 1.00 63.45 H new ATOM 0 HB2 PRO A 41 3.224 6.746 -11.511 1.00 50.22 H new ATOM 0 HB3 PRO A 41 4.486 5.925 -10.614 1.00 50.22 H new ATOM 0 HG2 PRO A 41 2.780 4.866 -12.879 1.00 14.14 H new ATOM 0 HG3 PRO A 41 4.507 4.693 -12.637 1.00 14.14 H new ATOM 0 HD2 PRO A 41 2.732 2.700 -11.969 1.00 61.55 H new ATOM 0 HD3 PRO A 41 4.252 2.913 -11.122 1.00 61.55 H new ATOM 663 N THR A 42 0.247 5.021 -11.102 1.00 25.33 N ATOM 664 CA THR A 42 -1.115 5.382 -11.548 1.00 52.33 C ATOM 665 C THR A 42 -2.130 4.255 -11.201 1.00 11.11 C ATOM 666 O THR A 42 -1.749 3.072 -11.149 1.00 1.01 O ATOM 667 CB THR A 42 -1.141 5.678 -13.094 1.00 31.11 C ATOM 668 OG1 THR A 42 -0.499 4.614 -13.818 1.00 74.32 O ATOM 669 CG2 THR A 42 -0.462 7.017 -13.440 1.00 61.03 C ATOM 0 H THR A 42 0.536 4.091 -11.405 1.00 25.33 H new ATOM 0 HA THR A 42 -1.408 6.288 -11.017 1.00 52.33 H new ATOM 0 HB THR A 42 -2.188 5.746 -13.388 1.00 31.11 H new ATOM 0 HG1 THR A 42 -0.524 4.810 -14.778 1.00 74.32 H new ATOM 0 HG21 THR A 42 -0.504 7.179 -14.517 1.00 61.03 H new ATOM 0 HG22 THR A 42 -0.980 7.830 -12.931 1.00 61.03 H new ATOM 0 HG23 THR A 42 0.579 6.991 -13.117 1.00 61.03 H new ATOM 677 N PRO A 43 -3.443 4.611 -10.954 1.00 15.42 N ATOM 678 CA PRO A 43 -4.518 3.623 -10.636 1.00 53.01 C ATOM 679 C PRO A 43 -4.764 2.600 -11.768 1.00 25.12 C ATOM 680 O PRO A 43 -5.095 1.436 -11.514 1.00 25.02 O ATOM 681 CB PRO A 43 -5.772 4.512 -10.400 1.00 22.21 C ATOM 682 CG PRO A 43 -5.229 5.881 -10.106 1.00 10.44 C ATOM 683 CD PRO A 43 -3.980 6.003 -10.944 1.00 53.55 C ATOM 0 HA PRO A 43 -4.252 3.006 -9.778 1.00 53.01 H new ATOM 0 HB2 PRO A 43 -6.418 4.524 -11.278 1.00 22.21 H new ATOM 0 HB3 PRO A 43 -6.370 4.138 -9.569 1.00 22.21 H new ATOM 0 HG2 PRO A 43 -5.952 6.655 -10.364 1.00 10.44 H new ATOM 0 HG3 PRO A 43 -5.004 5.995 -9.046 1.00 10.44 H new ATOM 0 HD2 PRO A 43 -4.203 6.357 -11.951 1.00 53.55 H new ATOM 0 HD3 PRO A 43 -3.270 6.706 -10.509 1.00 53.55 H new ATOM 691 N ALA A 44 -4.592 3.060 -13.020 1.00 32.31 N ATOM 692 CA ALA A 44 -4.836 2.246 -14.225 1.00 35.24 C ATOM 693 C ALA A 44 -3.645 1.319 -14.552 1.00 41.03 C ATOM 694 O ALA A 44 -3.771 0.434 -15.399 1.00 41.32 O ATOM 695 CB ALA A 44 -5.166 3.162 -15.411 1.00 54.33 C ATOM 0 H ALA A 44 -4.279 4.009 -13.226 1.00 32.31 H new ATOM 0 HA ALA A 44 -5.689 1.597 -14.027 1.00 35.24 H new ATOM 0 HB1 ALA A 44 -5.346 2.557 -16.299 1.00 54.33 H new ATOM 0 HB2 ALA A 44 -6.058 3.745 -15.183 1.00 54.33 H new ATOM 0 HB3 ALA A 44 -4.329 3.836 -15.594 1.00 54.33 H new ATOM 701 N ALA A 45 -2.484 1.541 -13.891 1.00 42.41 N ATOM 702 CA ALA A 45 -1.309 0.644 -13.994 1.00 71.13 C ATOM 703 C ALA A 45 -1.368 -0.439 -12.900 1.00 11.14 C ATOM 704 O ALA A 45 -0.675 -1.462 -12.976 1.00 52.01 O ATOM 705 CB ALA A 45 0.002 1.450 -13.892 1.00 13.14 C ATOM 0 H ALA A 45 -2.336 2.341 -13.276 1.00 42.41 H new ATOM 0 HA ALA A 45 -1.331 0.155 -14.968 1.00 71.13 H new ATOM 0 HB1 ALA A 45 0.852 0.773 -13.970 1.00 13.14 H new ATOM 0 HB2 ALA A 45 0.044 2.180 -14.700 1.00 13.14 H new ATOM 0 HB3 ALA A 45 0.037 1.968 -12.933 1.00 13.14 H new ATOM 711 N ALA A 46 -2.230 -0.202 -11.894 1.00 14.11 N ATOM 712 CA ALA A 46 -2.395 -1.085 -10.731 1.00 43.31 C ATOM 713 C ALA A 46 -3.263 -2.329 -11.023 1.00 52.24 C ATOM 714 O ALA A 46 -3.518 -3.115 -10.111 1.00 31.15 O ATOM 715 CB ALA A 46 -2.971 -0.273 -9.562 1.00 55.33 C ATOM 0 H ALA A 46 -2.837 0.618 -11.868 1.00 14.11 H new ATOM 0 HA ALA A 46 -1.410 -1.472 -10.469 1.00 43.31 H new ATOM 0 HB1 ALA A 46 -3.096 -0.922 -8.695 1.00 55.33 H new ATOM 0 HB2 ALA A 46 -2.288 0.539 -9.312 1.00 55.33 H new ATOM 0 HB3 ALA A 46 -3.938 0.141 -9.848 1.00 55.33 H new ATOM 721 N PHE A 47 -3.717 -2.506 -12.288 1.00 12.35 N ATOM 722 CA PHE A 47 -4.497 -3.707 -12.725 1.00 14.12 C ATOM 723 C PHE A 47 -3.712 -5.026 -12.514 1.00 51.40 C ATOM 724 O PHE A 47 -4.302 -6.113 -12.454 1.00 43.54 O ATOM 725 CB PHE A 47 -4.932 -3.572 -14.211 1.00 3.11 C ATOM 726 CG PHE A 47 -3.788 -3.615 -15.233 1.00 20.31 C ATOM 727 CD1 PHE A 47 -2.895 -2.556 -15.347 1.00 35.54 C ATOM 728 CD2 PHE A 47 -3.610 -4.712 -16.078 1.00 24.31 C ATOM 729 CE1 PHE A 47 -1.864 -2.584 -16.263 1.00 60.22 C ATOM 730 CE2 PHE A 47 -2.578 -4.737 -16.994 1.00 63.40 C ATOM 731 CZ PHE A 47 -1.705 -3.672 -17.085 1.00 65.41 C ATOM 0 H PHE A 47 -3.558 -1.830 -13.035 1.00 12.35 H new ATOM 0 HA PHE A 47 -5.387 -3.752 -12.097 1.00 14.12 H new ATOM 0 HB2 PHE A 47 -5.634 -4.373 -14.442 1.00 3.11 H new ATOM 0 HB3 PHE A 47 -5.470 -2.632 -14.331 1.00 3.11 H new ATOM 0 HD1 PHE A 47 -3.011 -1.695 -14.706 1.00 35.54 H new ATOM 0 HD2 PHE A 47 -4.288 -5.551 -16.014 1.00 24.31 H new ATOM 0 HE1 PHE A 47 -1.182 -1.750 -16.334 1.00 60.22 H new ATOM 0 HE2 PHE A 47 -2.453 -5.592 -17.641 1.00 63.40 H new ATOM 0 HZ PHE A 47 -0.898 -3.694 -17.802 1.00 65.41 H new ATOM 741 N ARG A 48 -2.379 -4.896 -12.405 1.00 52.44 N ATOM 742 CA ARG A 48 -1.452 -6.019 -12.174 1.00 72.12 C ATOM 743 C ARG A 48 -1.627 -6.669 -10.785 1.00 63.34 C ATOM 744 O ARG A 48 -1.163 -7.791 -10.564 1.00 34.30 O ATOM 745 CB ARG A 48 0.002 -5.512 -12.338 1.00 55.34 C ATOM 746 CG ARG A 48 0.336 -4.996 -13.749 1.00 33.32 C ATOM 747 CD ARG A 48 1.754 -4.408 -13.837 1.00 40.13 C ATOM 748 NE ARG A 48 2.084 -3.989 -15.210 1.00 22.22 N ATOM 749 CZ ARG A 48 1.810 -2.787 -15.743 1.00 74.45 C ATOM 750 NH1 ARG A 48 1.195 -1.842 -15.040 1.00 42.23 N ATOM 751 NH2 ARG A 48 2.152 -2.532 -16.993 1.00 64.33 N ATOM 0 H ARG A 48 -1.907 -3.994 -12.476 1.00 52.44 H new ATOM 0 HA ARG A 48 -1.679 -6.790 -12.910 1.00 72.12 H new ATOM 0 HB2 ARG A 48 0.179 -4.712 -11.620 1.00 55.34 H new ATOM 0 HB3 ARG A 48 0.687 -6.322 -12.088 1.00 55.34 H new ATOM 0 HG2 ARG A 48 0.239 -5.813 -14.464 1.00 33.32 H new ATOM 0 HG3 ARG A 48 -0.389 -4.234 -14.035 1.00 33.32 H new ATOM 0 HD2 ARG A 48 1.836 -3.553 -13.166 1.00 40.13 H new ATOM 0 HD3 ARG A 48 2.478 -5.150 -13.499 1.00 40.13 H new ATOM 0 HE ARG A 48 2.560 -4.667 -15.805 1.00 22.22 H new ATOM 0 HH11 ARG A 48 0.921 -2.022 -14.074 1.00 42.23 H new ATOM 0 HH12 ARG A 48 0.997 -0.937 -15.466 1.00 42.23 H new ATOM 0 HH21 ARG A 48 2.622 -3.246 -17.549 1.00 64.33 H new ATOM 0 HH22 ARG A 48 1.946 -1.621 -17.402 1.00 64.33 H new ATOM 765 N SER A 49 -2.294 -5.959 -9.861 1.00 35.45 N ATOM 766 CA SER A 49 -2.483 -6.418 -8.480 1.00 2.31 C ATOM 767 C SER A 49 -3.805 -5.850 -7.904 1.00 0.02 C ATOM 768 O SER A 49 -4.055 -4.641 -8.006 1.00 55.32 O ATOM 769 CB SER A 49 -1.266 -5.987 -7.634 1.00 45.23 C ATOM 770 OG SER A 49 -1.002 -4.608 -7.782 1.00 23.12 O ATOM 0 H SER A 49 -2.717 -5.051 -10.053 1.00 35.45 H new ATOM 0 HA SER A 49 -2.556 -7.505 -8.456 1.00 2.31 H new ATOM 0 HB2 SER A 49 -1.452 -6.213 -6.584 1.00 45.23 H new ATOM 0 HB3 SER A 49 -0.390 -6.562 -7.934 1.00 45.23 H new ATOM 0 HG SER A 49 -0.091 -4.484 -8.122 1.00 23.12 H new ATOM 776 N PRO A 50 -4.683 -6.708 -7.289 1.00 40.43 N ATOM 777 CA PRO A 50 -5.982 -6.258 -6.732 1.00 62.44 C ATOM 778 C PRO A 50 -5.795 -5.283 -5.559 1.00 23.32 C ATOM 779 O PRO A 50 -6.500 -4.278 -5.472 1.00 63.24 O ATOM 780 CB PRO A 50 -6.680 -7.569 -6.279 1.00 42.21 C ATOM 781 CG PRO A 50 -5.896 -8.682 -6.916 1.00 4.02 C ATOM 782 CD PRO A 50 -4.484 -8.163 -7.075 1.00 24.31 C ATOM 0 HA PRO A 50 -6.572 -5.706 -7.463 1.00 62.44 H new ATOM 0 HB2 PRO A 50 -6.678 -7.659 -5.193 1.00 42.21 H new ATOM 0 HB3 PRO A 50 -7.722 -7.590 -6.599 1.00 42.21 H new ATOM 0 HG2 PRO A 50 -5.914 -9.577 -6.294 1.00 4.02 H new ATOM 0 HG3 PRO A 50 -6.322 -8.956 -7.881 1.00 4.02 H new ATOM 0 HD2 PRO A 50 -3.879 -8.361 -6.190 1.00 24.31 H new ATOM 0 HD3 PRO A 50 -3.976 -8.629 -7.919 1.00 24.31 H new ATOM 790 N LEU A 51 -4.781 -5.568 -4.708 1.00 60.34 N ATOM 791 CA LEU A 51 -4.536 -4.810 -3.469 1.00 54.10 C ATOM 792 C LEU A 51 -4.095 -3.371 -3.781 1.00 64.32 C ATOM 793 O LEU A 51 -4.457 -2.450 -3.052 1.00 4.22 O ATOM 794 CB LEU A 51 -3.469 -5.510 -2.584 1.00 43.32 C ATOM 795 CG LEU A 51 -3.152 -4.821 -1.209 1.00 0.34 C ATOM 796 CD1 LEU A 51 -4.402 -4.718 -0.313 1.00 53.51 C ATOM 797 CD2 LEU A 51 -2.012 -5.543 -0.478 1.00 31.32 C ATOM 0 H LEU A 51 -4.116 -6.326 -4.864 1.00 60.34 H new ATOM 0 HA LEU A 51 -5.475 -4.776 -2.917 1.00 54.10 H new ATOM 0 HB2 LEU A 51 -3.801 -6.530 -2.388 1.00 43.32 H new ATOM 0 HB3 LEU A 51 -2.543 -5.580 -3.154 1.00 43.32 H new ATOM 0 HG LEU A 51 -2.826 -3.804 -1.429 1.00 0.34 H new ATOM 0 HD11 LEU A 51 -4.137 -4.235 0.628 1.00 53.51 H new ATOM 0 HD12 LEU A 51 -5.166 -4.129 -0.820 1.00 53.51 H new ATOM 0 HD13 LEU A 51 -4.789 -5.717 -0.112 1.00 53.51 H new ATOM 0 HD21 LEU A 51 -1.814 -5.044 0.471 1.00 31.32 H new ATOM 0 HD22 LEU A 51 -2.298 -6.578 -0.291 1.00 31.32 H new ATOM 0 HD23 LEU A 51 -1.113 -5.520 -1.094 1.00 31.32 H new ATOM 809 N ALA A 52 -3.330 -3.188 -4.881 1.00 21.41 N ATOM 810 CA ALA A 52 -2.844 -1.854 -5.288 1.00 53.03 C ATOM 811 C ALA A 52 -4.023 -0.939 -5.649 1.00 71.12 C ATOM 812 O ALA A 52 -4.094 0.194 -5.181 1.00 73.22 O ATOM 813 CB ALA A 52 -1.858 -1.962 -6.451 1.00 34.52 C ATOM 0 H ALA A 52 -3.038 -3.945 -5.499 1.00 21.41 H new ATOM 0 HA ALA A 52 -2.315 -1.411 -4.444 1.00 53.03 H new ATOM 0 HB1 ALA A 52 -1.515 -0.966 -6.731 1.00 34.52 H new ATOM 0 HB2 ALA A 52 -1.004 -2.568 -6.149 1.00 34.52 H new ATOM 0 HB3 ALA A 52 -2.351 -2.429 -7.304 1.00 34.52 H new ATOM 819 N ARG A 53 -4.961 -1.480 -6.453 1.00 24.25 N ATOM 820 CA ARG A 53 -6.216 -0.786 -6.824 1.00 1.51 C ATOM 821 C ARG A 53 -7.101 -0.513 -5.586 1.00 5.34 C ATOM 822 O ARG A 53 -7.772 0.519 -5.515 1.00 41.11 O ATOM 823 CB ARG A 53 -7.006 -1.623 -7.867 1.00 51.23 C ATOM 824 CG ARG A 53 -6.427 -1.591 -9.296 1.00 24.42 C ATOM 825 CD ARG A 53 -7.087 -2.615 -10.239 1.00 24.01 C ATOM 826 NE ARG A 53 -6.620 -3.995 -9.974 1.00 24.50 N ATOM 827 CZ ARG A 53 -7.333 -5.119 -10.195 1.00 51.13 C ATOM 828 NH1 ARG A 53 -8.578 -5.063 -10.677 1.00 20.31 N ATOM 829 NH2 ARG A 53 -6.776 -6.303 -9.958 1.00 21.35 N ATOM 0 H ARG A 53 -4.872 -2.409 -6.864 1.00 24.25 H new ATOM 0 HA ARG A 53 -5.946 0.174 -7.263 1.00 1.51 H new ATOM 0 HB2 ARG A 53 -7.043 -2.658 -7.528 1.00 51.23 H new ATOM 0 HB3 ARG A 53 -8.034 -1.261 -7.899 1.00 51.23 H new ATOM 0 HG2 ARG A 53 -6.553 -0.591 -9.710 1.00 24.42 H new ATOM 0 HG3 ARG A 53 -5.355 -1.785 -9.252 1.00 24.42 H new ATOM 0 HD2 ARG A 53 -8.170 -2.570 -10.122 1.00 24.01 H new ATOM 0 HD3 ARG A 53 -6.867 -2.350 -11.273 1.00 24.01 H new ATOM 0 HE ARG A 53 -5.681 -4.105 -9.592 1.00 24.50 H new ATOM 0 HH11 ARG A 53 -9.005 -4.160 -10.884 1.00 20.31 H new ATOM 0 HH12 ARG A 53 -9.102 -5.923 -10.838 1.00 20.31 H new ATOM 0 HH21 ARG A 53 -5.818 -6.356 -9.612 1.00 21.35 H new ATOM 0 HH22 ARG A 53 -7.307 -7.158 -10.122 1.00 21.35 H new ATOM 843 N GLN A 54 -7.081 -1.453 -4.623 1.00 21.13 N ATOM 844 CA GLN A 54 -7.837 -1.346 -3.356 1.00 73.41 C ATOM 845 C GLN A 54 -7.268 -0.205 -2.474 1.00 35.34 C ATOM 846 O GLN A 54 -8.011 0.463 -1.749 1.00 73.11 O ATOM 847 CB GLN A 54 -7.811 -2.706 -2.607 1.00 2.11 C ATOM 848 CG GLN A 54 -8.672 -3.822 -3.243 1.00 11.25 C ATOM 849 CD GLN A 54 -8.452 -5.202 -2.611 1.00 72.04 C ATOM 850 OE1 GLN A 54 -8.098 -5.318 -1.436 1.00 14.20 O ATOM 851 NE2 GLN A 54 -8.680 -6.263 -3.376 1.00 40.40 N ATOM 0 H GLN A 54 -6.538 -2.313 -4.700 1.00 21.13 H new ATOM 0 HA GLN A 54 -8.875 -1.100 -3.582 1.00 73.41 H new ATOM 0 HB2 GLN A 54 -6.779 -3.052 -2.551 1.00 2.11 H new ATOM 0 HB3 GLN A 54 -8.150 -2.546 -1.583 1.00 2.11 H new ATOM 0 HG2 GLN A 54 -9.725 -3.554 -3.152 1.00 11.25 H new ATOM 0 HG3 GLN A 54 -8.448 -3.880 -4.308 1.00 11.25 H new ATOM 0 HE21 GLN A 54 -8.972 -6.139 -4.345 1.00 40.40 H new ATOM 0 HE22 GLN A 54 -8.563 -7.202 -2.994 1.00 40.40 H new ATOM 860 N LEU A 55 -5.942 -0.001 -2.552 1.00 32.24 N ATOM 861 CA LEU A 55 -5.255 1.136 -1.900 1.00 54.14 C ATOM 862 C LEU A 55 -5.464 2.437 -2.708 1.00 3.01 C ATOM 863 O LEU A 55 -5.433 3.528 -2.148 1.00 12.34 O ATOM 864 CB LEU A 55 -3.744 0.815 -1.719 1.00 31.13 C ATOM 865 CG LEU A 55 -3.416 -0.405 -0.797 1.00 44.30 C ATOM 866 CD1 LEU A 55 -1.921 -0.773 -0.861 1.00 43.25 C ATOM 867 CD2 LEU A 55 -3.863 -0.156 0.661 1.00 73.21 C ATOM 0 H LEU A 55 -5.313 -0.617 -3.067 1.00 32.24 H new ATOM 0 HA LEU A 55 -5.689 1.291 -0.912 1.00 54.14 H new ATOM 0 HB2 LEU A 55 -3.310 0.631 -2.702 1.00 31.13 H new ATOM 0 HB3 LEU A 55 -3.250 1.697 -1.312 1.00 31.13 H new ATOM 0 HG LEU A 55 -3.986 -1.254 -1.175 1.00 44.30 H new ATOM 0 HD11 LEU A 55 -1.728 -1.625 -0.209 1.00 43.25 H new ATOM 0 HD12 LEU A 55 -1.654 -1.033 -1.885 1.00 43.25 H new ATOM 0 HD13 LEU A 55 -1.323 0.077 -0.534 1.00 43.25 H new ATOM 0 HD21 LEU A 55 -3.618 -1.026 1.270 1.00 73.21 H new ATOM 0 HD22 LEU A 55 -3.347 0.720 1.055 1.00 73.21 H new ATOM 0 HD23 LEU A 55 -4.939 0.014 0.688 1.00 73.21 H new ATOM 879 N PHE A 56 -5.693 2.313 -4.029 1.00 2.11 N ATOM 880 CA PHE A 56 -6.066 3.458 -4.899 1.00 2.33 C ATOM 881 C PHE A 56 -7.563 3.827 -4.742 1.00 72.52 C ATOM 882 O PHE A 56 -8.033 4.778 -5.368 1.00 22.31 O ATOM 883 CB PHE A 56 -5.718 3.173 -6.395 1.00 54.41 C ATOM 884 CG PHE A 56 -4.253 3.426 -6.768 1.00 30.11 C ATOM 885 CD1 PHE A 56 -3.729 4.719 -6.731 1.00 44.40 C ATOM 886 CD2 PHE A 56 -3.411 2.395 -7.185 1.00 25.01 C ATOM 887 CE1 PHE A 56 -2.422 4.963 -7.093 1.00 12.22 C ATOM 888 CE2 PHE A 56 -2.099 2.645 -7.542 1.00 30.24 C ATOM 889 CZ PHE A 56 -1.608 3.928 -7.497 1.00 5.43 C ATOM 0 H PHE A 56 -5.627 1.425 -4.526 1.00 2.11 H new ATOM 0 HA PHE A 56 -5.476 4.315 -4.574 1.00 2.33 H new ATOM 0 HB2 PHE A 56 -5.963 2.135 -6.620 1.00 54.41 H new ATOM 0 HB3 PHE A 56 -6.353 3.794 -7.027 1.00 54.41 H new ATOM 0 HD1 PHE A 56 -4.356 5.539 -6.414 1.00 44.40 H new ATOM 0 HD2 PHE A 56 -3.790 1.385 -7.230 1.00 25.01 H new ATOM 0 HE1 PHE A 56 -2.034 5.970 -7.060 1.00 12.22 H new ATOM 0 HE2 PHE A 56 -1.460 1.833 -7.856 1.00 30.24 H new ATOM 0 HZ PHE A 56 -0.584 4.125 -7.778 1.00 5.43 H new ATOM 899 N ARG A 57 -8.315 3.074 -3.918 1.00 4.13 N ATOM 900 CA ARG A 57 -9.680 3.476 -3.509 1.00 62.40 C ATOM 901 C ARG A 57 -9.624 4.614 -2.468 1.00 3.12 C ATOM 902 O ARG A 57 -10.623 5.308 -2.252 1.00 51.34 O ATOM 903 CB ARG A 57 -10.473 2.277 -2.936 1.00 73.34 C ATOM 904 CG ARG A 57 -10.684 1.119 -3.934 1.00 53.14 C ATOM 905 CD ARG A 57 -11.506 -0.042 -3.341 1.00 51.10 C ATOM 906 NE ARG A 57 -12.885 0.367 -3.022 1.00 71.35 N ATOM 907 CZ ARG A 57 -13.570 0.024 -1.912 1.00 44.43 C ATOM 908 NH1 ARG A 57 -13.024 -0.759 -0.971 1.00 4.24 N ATOM 909 NH2 ARG A 57 -14.807 0.478 -1.750 1.00 31.32 N ATOM 0 H ARG A 57 -8.005 2.187 -3.522 1.00 4.13 H new ATOM 0 HA ARG A 57 -10.197 3.834 -4.400 1.00 62.40 H new ATOM 0 HB2 ARG A 57 -9.949 1.895 -2.060 1.00 73.34 H new ATOM 0 HB3 ARG A 57 -11.447 2.630 -2.596 1.00 73.34 H new ATOM 0 HG2 ARG A 57 -11.189 1.499 -4.822 1.00 53.14 H new ATOM 0 HG3 ARG A 57 -9.713 0.743 -4.256 1.00 53.14 H new ATOM 0 HD2 ARG A 57 -11.528 -0.870 -4.049 1.00 51.10 H new ATOM 0 HD3 ARG A 57 -11.018 -0.408 -2.438 1.00 51.10 H new ATOM 0 HE ARG A 57 -13.363 0.961 -3.699 1.00 71.35 H new ATOM 0 HH11 ARG A 57 -12.072 -1.108 -1.087 1.00 4.24 H new ATOM 0 HH12 ARG A 57 -13.560 -1.006 -0.139 1.00 4.24 H new ATOM 0 HH21 ARG A 57 -15.227 1.078 -2.460 1.00 31.32 H new ATOM 0 HH22 ARG A 57 -15.337 0.227 -0.916 1.00 31.32 H new ATOM 923 N ILE A 58 -8.435 4.815 -1.859 1.00 34.20 N ATOM 924 CA ILE A 58 -8.210 5.807 -0.796 1.00 44.14 C ATOM 925 C ILE A 58 -7.922 7.161 -1.456 1.00 24.24 C ATOM 926 O ILE A 58 -7.051 7.246 -2.334 1.00 21.53 O ATOM 927 CB ILE A 58 -6.994 5.381 0.111 1.00 23.22 C ATOM 928 CG1 ILE A 58 -7.166 3.911 0.592 1.00 3.11 C ATOM 929 CG2 ILE A 58 -6.797 6.346 1.307 1.00 23.24 C ATOM 930 CD1 ILE A 58 -5.994 3.338 1.375 1.00 1.32 C ATOM 0 H ILE A 58 -7.597 4.284 -2.098 1.00 34.20 H new ATOM 0 HA ILE A 58 -9.095 5.875 -0.163 1.00 44.14 H new ATOM 0 HB ILE A 58 -6.090 5.443 -0.494 1.00 23.22 H new ATOM 0 HG12 ILE A 58 -8.059 3.852 1.214 1.00 3.11 H new ATOM 0 HG13 ILE A 58 -7.342 3.280 -0.279 1.00 3.11 H new ATOM 0 HG21 ILE A 58 -5.948 6.015 1.906 1.00 23.24 H new ATOM 0 HG22 ILE A 58 -6.608 7.353 0.935 1.00 23.24 H new ATOM 0 HG23 ILE A 58 -7.696 6.350 1.923 1.00 23.24 H new ATOM 0 HD11 ILE A 58 -6.216 2.310 1.662 1.00 1.32 H new ATOM 0 HD12 ILE A 58 -5.098 3.356 0.754 1.00 1.32 H new ATOM 0 HD13 ILE A 58 -5.827 3.937 2.270 1.00 1.32 H new ATOM 942 N GLU A 59 -8.632 8.214 -1.025 1.00 35.31 N ATOM 943 CA GLU A 59 -8.542 9.562 -1.635 1.00 12.45 C ATOM 944 C GLU A 59 -7.292 10.345 -1.171 1.00 21.35 C ATOM 945 O GLU A 59 -7.194 11.557 -1.390 1.00 3.41 O ATOM 946 CB GLU A 59 -9.843 10.351 -1.337 1.00 73.15 C ATOM 947 CG GLU A 59 -10.111 10.622 0.155 1.00 73.20 C ATOM 948 CD GLU A 59 -11.455 11.331 0.395 1.00 12.42 C ATOM 949 OE1 GLU A 59 -12.490 10.643 0.496 1.00 62.11 O ATOM 950 OE2 GLU A 59 -11.484 12.576 0.463 1.00 32.45 O ATOM 0 H GLU A 59 -9.286 8.162 -0.244 1.00 35.31 H new ATOM 0 HA GLU A 59 -8.433 9.436 -2.712 1.00 12.45 H new ATOM 0 HB2 GLU A 59 -9.800 11.305 -1.862 1.00 73.15 H new ATOM 0 HB3 GLU A 59 -10.688 9.798 -1.748 1.00 73.15 H new ATOM 0 HG2 GLU A 59 -10.100 9.678 0.700 1.00 73.20 H new ATOM 0 HG3 GLU A 59 -9.304 11.233 0.560 1.00 73.20 H new ATOM 957 N GLY A 60 -6.343 9.645 -0.539 1.00 41.41 N ATOM 958 CA GLY A 60 -5.056 10.222 -0.149 1.00 24.11 C ATOM 959 C GLY A 60 -3.891 9.659 -0.951 1.00 44.44 C ATOM 960 O GLY A 60 -2.871 10.328 -1.102 1.00 20.15 O ATOM 0 H GLY A 60 -6.448 8.663 -0.285 1.00 41.41 H new ATOM 0 HA2 GLY A 60 -5.093 11.303 -0.280 1.00 24.11 H new ATOM 0 HA3 GLY A 60 -4.885 10.035 0.911 1.00 24.11 H new ATOM 964 N VAL A 61 -4.050 8.428 -1.477 1.00 71.05 N ATOM 965 CA VAL A 61 -2.960 7.680 -2.131 1.00 2.53 C ATOM 966 C VAL A 61 -2.721 8.190 -3.567 1.00 61.53 C ATOM 967 O VAL A 61 -3.639 8.211 -4.389 1.00 13.01 O ATOM 968 CB VAL A 61 -3.271 6.135 -2.146 1.00 34.33 C ATOM 969 CG1 VAL A 61 -2.184 5.318 -2.893 1.00 63.52 C ATOM 970 CG2 VAL A 61 -3.462 5.609 -0.703 1.00 23.03 C ATOM 0 H VAL A 61 -4.937 7.926 -1.460 1.00 71.05 H new ATOM 0 HA VAL A 61 -2.051 7.846 -1.553 1.00 2.53 H new ATOM 0 HB VAL A 61 -4.201 5.998 -2.699 1.00 34.33 H new ATOM 0 HG11 VAL A 61 -2.447 4.260 -2.874 1.00 63.52 H new ATOM 0 HG12 VAL A 61 -2.120 5.657 -3.927 1.00 63.52 H new ATOM 0 HG13 VAL A 61 -1.221 5.462 -2.404 1.00 63.52 H new ATOM 0 HG21 VAL A 61 -3.676 4.541 -0.731 1.00 23.03 H new ATOM 0 HG22 VAL A 61 -2.552 5.782 -0.129 1.00 23.03 H new ATOM 0 HG23 VAL A 61 -4.293 6.134 -0.232 1.00 23.03 H new ATOM 980 N LYS A 62 -1.486 8.631 -3.838 1.00 33.55 N ATOM 981 CA LYS A 62 -1.040 9.024 -5.185 1.00 23.53 C ATOM 982 C LYS A 62 -0.425 7.825 -5.918 1.00 73.15 C ATOM 983 O LYS A 62 -0.578 7.684 -7.135 1.00 62.13 O ATOM 984 CB LYS A 62 -0.010 10.177 -5.085 1.00 64.22 C ATOM 985 CG LYS A 62 0.411 10.817 -6.429 1.00 64.32 C ATOM 986 CD LYS A 62 -0.789 11.385 -7.228 1.00 51.24 C ATOM 987 CE LYS A 62 -0.356 12.125 -8.506 1.00 23.23 C ATOM 988 NZ LYS A 62 0.415 13.364 -8.208 1.00 63.45 N ATOM 0 H LYS A 62 -0.762 8.727 -3.126 1.00 33.55 H new ATOM 0 HA LYS A 62 -1.904 9.369 -5.753 1.00 23.53 H new ATOM 0 HB2 LYS A 62 -0.425 10.957 -4.446 1.00 64.22 H new ATOM 0 HB3 LYS A 62 0.883 9.800 -4.587 1.00 64.22 H new ATOM 0 HG2 LYS A 62 1.125 11.618 -6.236 1.00 64.32 H new ATOM 0 HG3 LYS A 62 0.925 10.071 -7.036 1.00 64.32 H new ATOM 0 HD2 LYS A 62 -1.461 10.569 -7.496 1.00 51.24 H new ATOM 0 HD3 LYS A 62 -1.353 12.067 -6.592 1.00 51.24 H new ATOM 0 HE2 LYS A 62 0.252 11.460 -9.120 1.00 23.23 H new ATOM 0 HE3 LYS A 62 -1.239 12.381 -9.092 1.00 23.23 H new ATOM 0 HZ1 LYS A 62 0.568 13.898 -9.087 1.00 63.45 H new ATOM 0 HZ2 LYS A 62 -0.118 13.951 -7.535 1.00 63.45 H new ATOM 0 HZ3 LYS A 62 1.334 13.110 -7.793 1.00 63.45 H new ATOM 1002 N SER A 63 0.256 6.948 -5.157 1.00 1.41 N ATOM 1003 CA SER A 63 0.991 5.807 -5.721 1.00 74.12 C ATOM 1004 C SER A 63 1.197 4.708 -4.664 1.00 5.11 C ATOM 1005 O SER A 63 1.364 4.995 -3.469 1.00 12.51 O ATOM 1006 CB SER A 63 2.342 6.274 -6.306 1.00 33.23 C ATOM 1007 OG SER A 63 3.105 6.984 -5.345 1.00 62.42 O ATOM 0 H SER A 63 0.311 7.012 -4.140 1.00 1.41 H new ATOM 0 HA SER A 63 0.397 5.381 -6.530 1.00 74.12 H new ATOM 0 HB2 SER A 63 2.907 5.410 -6.655 1.00 33.23 H new ATOM 0 HB3 SER A 63 2.164 6.910 -7.173 1.00 33.23 H new ATOM 0 HG SER A 63 3.955 7.265 -5.744 1.00 62.42 H new ATOM 1013 N VAL A 64 1.167 3.447 -5.132 1.00 63.34 N ATOM 1014 CA VAL A 64 1.388 2.246 -4.308 1.00 64.34 C ATOM 1015 C VAL A 64 2.733 1.613 -4.696 1.00 50.53 C ATOM 1016 O VAL A 64 3.081 1.581 -5.874 1.00 52.01 O ATOM 1017 CB VAL A 64 0.234 1.191 -4.514 1.00 12.45 C ATOM 1018 CG1 VAL A 64 0.499 -0.129 -3.746 1.00 43.01 C ATOM 1019 CG2 VAL A 64 -1.133 1.791 -4.126 1.00 71.23 C ATOM 0 H VAL A 64 0.985 3.231 -6.112 1.00 63.34 H new ATOM 0 HA VAL A 64 1.395 2.542 -3.259 1.00 64.34 H new ATOM 0 HB VAL A 64 0.214 0.942 -5.575 1.00 12.45 H new ATOM 0 HG11 VAL A 64 -0.324 -0.823 -3.920 1.00 43.01 H new ATOM 0 HG12 VAL A 64 1.430 -0.574 -4.098 1.00 43.01 H new ATOM 0 HG13 VAL A 64 0.578 0.080 -2.679 1.00 43.01 H new ATOM 0 HG21 VAL A 64 -1.914 1.045 -4.276 1.00 71.23 H new ATOM 0 HG22 VAL A 64 -1.115 2.091 -3.078 1.00 71.23 H new ATOM 0 HG23 VAL A 64 -1.338 2.662 -4.749 1.00 71.23 H new ATOM 1029 N PHE A 65 3.484 1.138 -3.701 1.00 24.34 N ATOM 1030 CA PHE A 65 4.730 0.388 -3.912 1.00 54.24 C ATOM 1031 C PHE A 65 4.697 -0.883 -3.052 1.00 30.34 C ATOM 1032 O PHE A 65 4.402 -0.818 -1.856 1.00 15.22 O ATOM 1033 CB PHE A 65 5.951 1.284 -3.544 1.00 22.40 C ATOM 1034 CG PHE A 65 7.313 0.630 -3.772 1.00 43.32 C ATOM 1035 CD1 PHE A 65 7.801 0.447 -5.067 1.00 62.22 C ATOM 1036 CD2 PHE A 65 8.102 0.194 -2.702 1.00 12.12 C ATOM 1037 CE1 PHE A 65 9.028 -0.144 -5.287 1.00 31.31 C ATOM 1038 CE2 PHE A 65 9.330 -0.399 -2.926 1.00 40.01 C ATOM 1039 CZ PHE A 65 9.792 -0.567 -4.218 1.00 1.05 C ATOM 0 H PHE A 65 3.245 1.262 -2.717 1.00 24.34 H new ATOM 0 HA PHE A 65 4.826 0.101 -4.959 1.00 54.24 H new ATOM 0 HB2 PHE A 65 5.901 2.202 -4.130 1.00 22.40 H new ATOM 0 HB3 PHE A 65 5.871 1.571 -2.495 1.00 22.40 H new ATOM 0 HD1 PHE A 65 7.209 0.773 -5.909 1.00 62.22 H new ATOM 0 HD2 PHE A 65 7.747 0.322 -1.690 1.00 12.12 H new ATOM 0 HE1 PHE A 65 9.391 -0.276 -6.296 1.00 31.31 H new ATOM 0 HE2 PHE A 65 9.929 -0.731 -2.091 1.00 40.01 H new ATOM 0 HZ PHE A 65 10.752 -1.030 -4.391 1.00 1.05 H new ATOM 1049 N PHE A 66 4.958 -2.044 -3.672 1.00 21.41 N ATOM 1050 CA PHE A 66 5.115 -3.324 -2.954 1.00 13.33 C ATOM 1051 C PHE A 66 6.606 -3.703 -2.905 1.00 50.43 C ATOM 1052 O PHE A 66 7.329 -3.556 -3.901 1.00 64.13 O ATOM 1053 CB PHE A 66 4.298 -4.460 -3.626 1.00 54.14 C ATOM 1054 CG PHE A 66 2.777 -4.294 -3.611 1.00 2.42 C ATOM 1055 CD1 PHE A 66 2.111 -3.855 -2.466 1.00 34.43 C ATOM 1056 CD2 PHE A 66 2.012 -4.584 -4.742 1.00 22.23 C ATOM 1057 CE1 PHE A 66 0.734 -3.714 -2.457 1.00 23.21 C ATOM 1058 CE2 PHE A 66 0.636 -4.443 -4.729 1.00 11.32 C ATOM 1059 CZ PHE A 66 -0.001 -4.005 -3.587 1.00 30.35 C ATOM 0 H PHE A 66 5.066 -2.125 -4.683 1.00 21.41 H new ATOM 0 HA PHE A 66 4.732 -3.198 -1.941 1.00 13.33 H new ATOM 0 HB2 PHE A 66 4.623 -4.550 -4.662 1.00 54.14 H new ATOM 0 HB3 PHE A 66 4.546 -5.399 -3.132 1.00 54.14 H new ATOM 0 HD1 PHE A 66 2.677 -3.622 -1.576 1.00 34.43 H new ATOM 0 HD2 PHE A 66 2.503 -4.924 -5.642 1.00 22.23 H new ATOM 0 HE1 PHE A 66 0.234 -3.375 -1.562 1.00 23.21 H new ATOM 0 HE2 PHE A 66 0.061 -4.676 -5.613 1.00 11.32 H new ATOM 0 HZ PHE A 66 -1.075 -3.890 -3.578 1.00 30.35 H new ATOM 1069 N GLY A 67 7.032 -4.191 -1.736 1.00 52.03 N ATOM 1070 CA GLY A 67 8.411 -4.590 -1.468 1.00 34.55 C ATOM 1071 C GLY A 67 8.480 -5.809 -0.543 1.00 21.24 C ATOM 1072 O GLY A 67 7.431 -6.326 -0.145 1.00 71.34 O ATOM 0 H GLY A 67 6.413 -4.321 -0.936 1.00 52.03 H new ATOM 0 HA2 GLY A 67 8.913 -4.818 -2.408 1.00 34.55 H new ATOM 0 HA3 GLY A 67 8.949 -3.758 -1.014 1.00 34.55 H new ATOM 1076 N PRO A 68 9.704 -6.338 -0.227 1.00 21.24 N ATOM 1077 CA PRO A 68 9.877 -7.512 0.673 1.00 52.45 C ATOM 1078 C PRO A 68 9.211 -7.311 2.054 1.00 32.11 C ATOM 1079 O PRO A 68 9.706 -6.536 2.882 1.00 64.03 O ATOM 1080 CB PRO A 68 11.418 -7.671 0.777 1.00 14.45 C ATOM 1081 CG PRO A 68 11.954 -6.998 -0.454 1.00 30.24 C ATOM 1082 CD PRO A 68 11.011 -5.847 -0.739 1.00 72.44 C ATOM 0 HA PRO A 68 9.389 -8.405 0.283 1.00 52.45 H new ATOM 0 HB2 PRO A 68 11.804 -7.205 1.683 1.00 14.45 H new ATOM 0 HB3 PRO A 68 11.706 -8.722 0.811 1.00 14.45 H new ATOM 0 HG2 PRO A 68 12.971 -6.640 -0.292 1.00 30.24 H new ATOM 0 HG3 PRO A 68 11.990 -7.691 -1.294 1.00 30.24 H new ATOM 0 HD2 PRO A 68 11.325 -4.935 -0.231 1.00 72.44 H new ATOM 0 HD3 PRO A 68 10.965 -5.619 -1.804 1.00 72.44 H new ATOM 1090 N ASP A 69 8.033 -7.969 2.230 1.00 20.41 N ATOM 1091 CA ASP A 69 7.243 -7.976 3.488 1.00 54.42 C ATOM 1092 C ASP A 69 6.708 -6.584 3.854 1.00 4.34 C ATOM 1093 O ASP A 69 6.331 -6.355 4.997 1.00 45.51 O ATOM 1094 CB ASP A 69 8.060 -8.591 4.677 1.00 62.53 C ATOM 1095 CG ASP A 69 8.401 -10.075 4.466 1.00 31.24 C ATOM 1096 OD1 ASP A 69 9.229 -10.381 3.584 1.00 23.44 O ATOM 1097 OD2 ASP A 69 7.846 -10.943 5.182 1.00 51.14 O ATOM 0 H ASP A 69 7.600 -8.518 1.488 1.00 20.41 H new ATOM 0 HA ASP A 69 6.378 -8.613 3.304 1.00 54.42 H new ATOM 0 HB2 ASP A 69 8.983 -8.026 4.807 1.00 62.53 H new ATOM 0 HB3 ASP A 69 7.488 -8.483 5.598 1.00 62.53 H new ATOM 1102 N SER A 70 6.610 -5.674 2.868 1.00 50.22 N ATOM 1103 CA SER A 70 6.244 -4.271 3.126 1.00 0.30 C ATOM 1104 C SER A 70 5.428 -3.675 1.974 1.00 41.22 C ATOM 1105 O SER A 70 5.631 -4.022 0.813 1.00 2.22 O ATOM 1106 CB SER A 70 7.523 -3.449 3.348 1.00 2.04 C ATOM 1107 OG SER A 70 8.420 -3.586 2.258 1.00 0.31 O ATOM 0 H SER A 70 6.779 -5.886 1.885 1.00 50.22 H new ATOM 0 HA SER A 70 5.619 -4.238 4.018 1.00 0.30 H new ATOM 0 HB2 SER A 70 7.264 -2.398 3.479 1.00 2.04 H new ATOM 0 HB3 SER A 70 8.012 -3.774 4.267 1.00 2.04 H new ATOM 0 HG SER A 70 8.885 -4.446 2.323 1.00 0.31 H new ATOM 1113 N ILE A 71 4.505 -2.781 2.323 1.00 74.13 N ATOM 1114 CA ILE A 71 3.686 -2.024 1.374 1.00 14.00 C ATOM 1115 C ILE A 71 3.915 -0.541 1.667 1.00 43.14 C ATOM 1116 O ILE A 71 3.400 -0.018 2.659 1.00 5.30 O ATOM 1117 CB ILE A 71 2.158 -2.379 1.549 1.00 42.21 C ATOM 1118 CG1 ILE A 71 1.928 -3.914 1.379 1.00 74.34 C ATOM 1119 CG2 ILE A 71 1.278 -1.561 0.576 1.00 20.24 C ATOM 1120 CD1 ILE A 71 0.541 -4.400 1.755 1.00 13.11 C ATOM 0 H ILE A 71 4.300 -2.556 3.297 1.00 74.13 H new ATOM 0 HA ILE A 71 3.965 -2.270 0.349 1.00 14.00 H new ATOM 0 HB ILE A 71 1.858 -2.106 2.561 1.00 42.21 H new ATOM 0 HG12 ILE A 71 2.121 -4.182 0.340 1.00 74.34 H new ATOM 0 HG13 ILE A 71 2.660 -4.445 1.987 1.00 74.34 H new ATOM 0 HG21 ILE A 71 0.231 -1.828 0.721 1.00 20.24 H new ATOM 0 HG22 ILE A 71 1.412 -0.497 0.771 1.00 20.24 H new ATOM 0 HG23 ILE A 71 1.570 -1.781 -0.451 1.00 20.24 H new ATOM 0 HD11 ILE A 71 0.479 -5.478 1.603 1.00 13.11 H new ATOM 0 HD12 ILE A 71 0.346 -4.170 2.802 1.00 13.11 H new ATOM 0 HD13 ILE A 71 -0.201 -3.902 1.130 1.00 13.11 H new ATOM 1132 N THR A 72 4.694 0.139 0.826 1.00 51.31 N ATOM 1133 CA THR A 72 5.006 1.549 1.012 1.00 60.12 C ATOM 1134 C THR A 72 3.994 2.375 0.200 1.00 20.44 C ATOM 1135 O THR A 72 3.902 2.229 -1.021 1.00 50.45 O ATOM 1136 CB THR A 72 6.468 1.855 0.550 1.00 63.24 C ATOM 1137 OG1 THR A 72 7.399 1.043 1.295 1.00 62.14 O ATOM 1138 CG2 THR A 72 6.833 3.342 0.716 1.00 12.22 C ATOM 0 H THR A 72 5.124 -0.275 -0.001 1.00 51.31 H new ATOM 0 HA THR A 72 4.936 1.811 2.068 1.00 60.12 H new ATOM 0 HB THR A 72 6.529 1.616 -0.512 1.00 63.24 H new ATOM 0 HG1 THR A 72 8.313 1.238 0.999 1.00 62.14 H new ATOM 0 HG21 THR A 72 7.858 3.505 0.382 1.00 12.22 H new ATOM 0 HG22 THR A 72 6.155 3.952 0.119 1.00 12.22 H new ATOM 0 HG23 THR A 72 6.745 3.623 1.765 1.00 12.22 H new ATOM 1146 N VAL A 73 3.234 3.220 0.890 1.00 14.22 N ATOM 1147 CA VAL A 73 2.210 4.075 0.285 1.00 3.14 C ATOM 1148 C VAL A 73 2.764 5.507 0.204 1.00 63.22 C ATOM 1149 O VAL A 73 3.518 5.935 1.086 1.00 15.42 O ATOM 1150 CB VAL A 73 0.885 4.036 1.145 1.00 32.15 C ATOM 1151 CG1 VAL A 73 -0.188 4.997 0.595 1.00 35.43 C ATOM 1152 CG2 VAL A 73 0.328 2.593 1.249 1.00 72.35 C ATOM 0 H VAL A 73 3.311 3.334 1.901 1.00 14.22 H new ATOM 0 HA VAL A 73 1.966 3.718 -0.715 1.00 3.14 H new ATOM 0 HB VAL A 73 1.145 4.376 2.147 1.00 32.15 H new ATOM 0 HG11 VAL A 73 -1.082 4.938 1.216 1.00 35.43 H new ATOM 0 HG12 VAL A 73 0.196 6.017 0.608 1.00 35.43 H new ATOM 0 HG13 VAL A 73 -0.438 4.716 -0.428 1.00 35.43 H new ATOM 0 HG21 VAL A 73 -0.584 2.597 1.846 1.00 72.35 H new ATOM 0 HG22 VAL A 73 0.106 2.216 0.251 1.00 72.35 H new ATOM 0 HG23 VAL A 73 1.070 1.950 1.723 1.00 72.35 H new ATOM 1162 N THR A 74 2.436 6.220 -0.874 1.00 21.43 N ATOM 1163 CA THR A 74 2.766 7.638 -1.032 1.00 74.22 C ATOM 1164 C THR A 74 1.460 8.439 -1.180 1.00 71.43 C ATOM 1165 O THR A 74 0.547 8.012 -1.894 1.00 32.22 O ATOM 1166 CB THR A 74 3.706 7.856 -2.261 1.00 1.33 C ATOM 1167 OG1 THR A 74 4.886 7.042 -2.109 1.00 53.12 O ATOM 1168 CG2 THR A 74 4.129 9.331 -2.439 1.00 45.41 C ATOM 0 H THR A 74 1.930 5.828 -1.668 1.00 21.43 H new ATOM 0 HA THR A 74 3.303 7.989 -0.151 1.00 74.22 H new ATOM 0 HB THR A 74 3.144 7.569 -3.150 1.00 1.33 H new ATOM 0 HG1 THR A 74 5.477 7.175 -2.879 1.00 53.12 H new ATOM 0 HG21 THR A 74 4.781 9.420 -3.308 1.00 45.41 H new ATOM 0 HG22 THR A 74 3.243 9.949 -2.585 1.00 45.41 H new ATOM 0 HG23 THR A 74 4.662 9.666 -1.550 1.00 45.41 H new ATOM 1176 N LYS A 75 1.377 9.577 -0.469 1.00 44.15 N ATOM 1177 CA LYS A 75 0.216 10.490 -0.506 1.00 70.35 C ATOM 1178 C LYS A 75 0.340 11.470 -1.697 1.00 41.03 C ATOM 1179 O LYS A 75 1.394 11.532 -2.348 1.00 44.32 O ATOM 1180 CB LYS A 75 0.128 11.268 0.838 1.00 74.14 C ATOM 1181 CG LYS A 75 1.283 12.271 1.047 1.00 70.34 C ATOM 1182 CD LYS A 75 1.334 12.897 2.459 1.00 5.10 C ATOM 1183 CE LYS A 75 1.640 11.877 3.556 1.00 31.52 C ATOM 1184 NZ LYS A 75 1.808 12.502 4.897 1.00 11.21 N ATOM 0 H LYS A 75 2.120 9.894 0.154 1.00 44.15 H new ATOM 0 HA LYS A 75 -0.696 9.909 -0.641 1.00 70.35 H new ATOM 0 HB2 LYS A 75 -0.820 11.805 0.876 1.00 74.14 H new ATOM 0 HB3 LYS A 75 0.124 10.554 1.662 1.00 74.14 H new ATOM 0 HG2 LYS A 75 2.228 11.764 0.853 1.00 70.34 H new ATOM 0 HG3 LYS A 75 1.192 13.070 0.311 1.00 70.34 H new ATOM 0 HD2 LYS A 75 2.093 13.679 2.476 1.00 5.10 H new ATOM 0 HD3 LYS A 75 0.378 13.376 2.673 1.00 5.10 H new ATOM 0 HE2 LYS A 75 0.833 11.145 3.600 1.00 31.52 H new ATOM 0 HE3 LYS A 75 2.549 11.334 3.297 1.00 31.52 H new ATOM 0 HZ1 LYS A 75 1.895 11.758 5.618 1.00 11.21 H new ATOM 0 HZ2 LYS A 75 2.666 13.090 4.901 1.00 11.21 H new ATOM 0 HZ3 LYS A 75 0.981 13.095 5.110 1.00 11.21 H new ATOM 1198 N GLU A 76 -0.737 12.233 -1.973 1.00 44.04 N ATOM 1199 CA GLU A 76 -0.778 13.196 -3.094 1.00 20.13 C ATOM 1200 C GLU A 76 0.082 14.444 -2.809 1.00 64.42 C ATOM 1201 O GLU A 76 0.986 14.781 -3.587 1.00 14.00 O ATOM 1202 CB GLU A 76 -2.242 13.593 -3.411 1.00 2.52 C ATOM 1203 CG GLU A 76 -3.131 12.412 -3.861 1.00 62.40 C ATOM 1204 CD GLU A 76 -4.516 12.860 -4.341 1.00 35.32 C ATOM 1205 OE1 GLU A 76 -4.589 13.515 -5.397 1.00 44.04 O ATOM 1206 OE2 GLU A 76 -5.529 12.566 -3.679 1.00 63.03 O ATOM 0 H GLU A 76 -1.599 12.200 -1.429 1.00 44.04 H new ATOM 0 HA GLU A 76 -0.352 12.705 -3.969 1.00 20.13 H new ATOM 0 HB2 GLU A 76 -2.684 14.050 -2.525 1.00 2.52 H new ATOM 0 HB3 GLU A 76 -2.240 14.352 -4.194 1.00 2.52 H new ATOM 0 HG2 GLU A 76 -2.630 11.872 -4.665 1.00 62.40 H new ATOM 0 HG3 GLU A 76 -3.247 11.714 -3.032 1.00 62.40 H new ATOM 1213 N ASN A 77 -0.196 15.103 -1.676 1.00 41.22 N ATOM 1214 CA ASN A 77 0.532 16.311 -1.241 1.00 25.33 C ATOM 1215 C ASN A 77 0.872 16.207 0.253 1.00 45.43 C ATOM 1216 O ASN A 77 0.242 15.432 0.979 1.00 24.21 O ATOM 1217 CB ASN A 77 -0.279 17.611 -1.555 1.00 63.44 C ATOM 1218 CG ASN A 77 -1.642 17.751 -0.846 1.00 42.12 C ATOM 1219 OD1 ASN A 77 -1.877 17.214 0.235 1.00 24.32 O ATOM 1220 ND2 ASN A 77 -2.548 18.514 -1.449 1.00 21.42 N ATOM 0 H ASN A 77 -0.933 14.816 -1.032 1.00 41.22 H new ATOM 0 HA ASN A 77 1.463 16.376 -1.804 1.00 25.33 H new ATOM 0 HB2 ASN A 77 0.336 18.471 -1.289 1.00 63.44 H new ATOM 0 HB3 ASN A 77 -0.446 17.659 -2.631 1.00 63.44 H new ATOM 0 HD21 ASN A 77 -3.459 18.664 -1.015 1.00 21.42 H new ATOM 0 HD22 ASN A 77 -2.332 18.950 -2.345 1.00 21.42 H new ATOM 1227 N GLU A 78 1.834 17.031 0.702 1.00 34.44 N ATOM 1228 CA GLU A 78 2.365 17.000 2.081 1.00 75.44 C ATOM 1229 C GLU A 78 1.375 17.603 3.104 1.00 61.11 C ATOM 1230 O GLU A 78 1.666 17.636 4.304 1.00 61.43 O ATOM 1231 CB GLU A 78 3.733 17.741 2.147 1.00 64.24 C ATOM 1232 CG GLU A 78 4.710 17.356 1.016 1.00 50.32 C ATOM 1233 CD GLU A 78 6.142 17.856 1.239 1.00 31.24 C ATOM 1234 OE1 GLU A 78 6.367 19.087 1.208 1.00 4.51 O ATOM 1235 OE2 GLU A 78 7.057 17.021 1.432 1.00 63.12 O ATOM 0 H GLU A 78 2.270 17.743 0.116 1.00 34.44 H new ATOM 0 HA GLU A 78 2.508 15.954 2.351 1.00 75.44 H new ATOM 0 HB2 GLU A 78 3.555 18.816 2.109 1.00 64.24 H new ATOM 0 HB3 GLU A 78 4.203 17.529 3.107 1.00 64.24 H new ATOM 0 HG2 GLU A 78 4.725 16.271 0.916 1.00 50.32 H new ATOM 0 HG3 GLU A 78 4.337 17.758 0.074 1.00 50.32 H new ATOM 1242 N GLU A 79 0.223 18.100 2.624 1.00 31.41 N ATOM 1243 CA GLU A 79 -0.864 18.583 3.495 1.00 20.13 C ATOM 1244 C GLU A 79 -1.697 17.396 4.032 1.00 12.24 C ATOM 1245 O GLU A 79 -2.316 17.500 5.097 1.00 73.23 O ATOM 1246 CB GLU A 79 -1.755 19.595 2.719 1.00 23.21 C ATOM 1247 CG GLU A 79 -2.846 20.296 3.566 1.00 1.01 C ATOM 1248 CD GLU A 79 -2.282 21.077 4.774 1.00 1.41 C ATOM 1249 OE1 GLU A 79 -1.720 22.178 4.572 1.00 30.05 O ATOM 1250 OE2 GLU A 79 -2.383 20.587 5.923 1.00 44.20 O ATOM 0 H GLU A 79 0.019 18.179 1.628 1.00 31.41 H new ATOM 0 HA GLU A 79 -0.431 19.097 4.353 1.00 20.13 H new ATOM 0 HB2 GLU A 79 -1.113 20.358 2.279 1.00 23.21 H new ATOM 0 HB3 GLU A 79 -2.238 19.071 1.894 1.00 23.21 H new ATOM 0 HG2 GLU A 79 -3.404 20.982 2.929 1.00 1.01 H new ATOM 0 HG3 GLU A 79 -3.552 19.548 3.925 1.00 1.01 H new ATOM 1257 N LEU A 80 -1.698 16.265 3.293 1.00 42.42 N ATOM 1258 CA LEU A 80 -2.392 15.033 3.717 1.00 42.31 C ATOM 1259 C LEU A 80 -1.678 14.405 4.919 1.00 14.52 C ATOM 1260 O LEU A 80 -0.485 14.107 4.855 1.00 11.32 O ATOM 1261 CB LEU A 80 -2.457 14.011 2.555 1.00 63.25 C ATOM 1262 CG LEU A 80 -3.385 14.388 1.364 1.00 33.51 C ATOM 1263 CD1 LEU A 80 -3.179 13.425 0.193 1.00 62.30 C ATOM 1264 CD2 LEU A 80 -4.866 14.422 1.798 1.00 64.41 C ATOM 0 H LEU A 80 -1.222 16.182 2.395 1.00 42.42 H new ATOM 0 HA LEU A 80 -3.409 15.300 4.005 1.00 42.31 H new ATOM 0 HB2 LEU A 80 -1.448 13.864 2.171 1.00 63.25 H new ATOM 0 HB3 LEU A 80 -2.787 13.054 2.958 1.00 63.25 H new ATOM 0 HG LEU A 80 -3.115 15.391 1.032 1.00 33.51 H new ATOM 0 HD11 LEU A 80 -3.837 13.706 -0.629 1.00 62.30 H new ATOM 0 HD12 LEU A 80 -2.142 13.473 -0.139 1.00 62.30 H new ATOM 0 HD13 LEU A 80 -3.411 12.409 0.512 1.00 62.30 H new ATOM 0 HD21 LEU A 80 -5.489 14.688 0.944 1.00 64.41 H new ATOM 0 HD22 LEU A 80 -5.159 13.440 2.169 1.00 64.41 H new ATOM 0 HD23 LEU A 80 -4.997 15.162 2.588 1.00 64.41 H new ATOM 1276 N ASP A 81 -2.413 14.246 6.013 1.00 5.43 N ATOM 1277 CA ASP A 81 -1.906 13.602 7.237 1.00 73.22 C ATOM 1278 C ASP A 81 -2.131 12.083 7.167 1.00 72.02 C ATOM 1279 O ASP A 81 -3.201 11.641 6.748 1.00 73.12 O ATOM 1280 CB ASP A 81 -2.594 14.208 8.487 1.00 61.12 C ATOM 1281 CG ASP A 81 -2.109 13.586 9.810 1.00 51.45 C ATOM 1282 OD1 ASP A 81 -0.906 13.698 10.123 1.00 5.31 O ATOM 1283 OD2 ASP A 81 -2.916 12.970 10.528 1.00 3.31 O ATOM 0 H ASP A 81 -3.381 14.558 6.085 1.00 5.43 H new ATOM 0 HA ASP A 81 -0.835 13.786 7.317 1.00 73.22 H new ATOM 0 HB2 ASP A 81 -2.410 15.282 8.510 1.00 61.12 H new ATOM 0 HB3 ASP A 81 -3.672 14.071 8.402 1.00 61.12 H new ATOM 1288 N TRP A 82 -1.119 11.297 7.598 1.00 11.25 N ATOM 1289 CA TRP A 82 -1.143 9.822 7.498 1.00 63.21 C ATOM 1290 C TRP A 82 -2.265 9.185 8.336 1.00 71.24 C ATOM 1291 O TRP A 82 -2.824 8.176 7.919 1.00 55.45 O ATOM 1292 CB TRP A 82 0.230 9.191 7.888 1.00 13.23 C ATOM 1293 CG TRP A 82 1.247 9.187 6.777 1.00 33.23 C ATOM 1294 CD1 TRP A 82 2.475 9.792 6.757 1.00 64.11 C ATOM 1295 CD2 TRP A 82 1.109 8.513 5.515 1.00 23.20 C ATOM 1296 NE1 TRP A 82 3.092 9.555 5.553 1.00 34.42 N ATOM 1297 CE2 TRP A 82 2.273 8.769 4.778 1.00 54.53 C ATOM 1298 CE3 TRP A 82 0.104 7.718 4.938 1.00 54.12 C ATOM 1299 CZ2 TRP A 82 2.461 8.266 3.498 1.00 3.33 C ATOM 1300 CZ3 TRP A 82 0.297 7.222 3.667 1.00 72.31 C ATOM 1301 CH2 TRP A 82 1.466 7.502 2.959 1.00 3.44 C ATOM 0 H TRP A 82 -0.268 11.665 8.022 1.00 11.25 H new ATOM 0 HA TRP A 82 -1.346 9.604 6.449 1.00 63.21 H new ATOM 0 HB2 TRP A 82 0.639 9.737 8.738 1.00 13.23 H new ATOM 0 HB3 TRP A 82 0.065 8.165 8.218 1.00 13.23 H new ATOM 0 HD1 TRP A 82 2.896 10.369 7.567 1.00 64.11 H new ATOM 0 HE1 TRP A 82 4.010 9.906 5.278 1.00 34.42 H new ATOM 0 HE3 TRP A 82 -0.804 7.500 5.481 1.00 54.12 H new ATOM 0 HZ2 TRP A 82 3.366 8.472 2.946 1.00 3.33 H new ATOM 0 HZ3 TRP A 82 -0.467 6.608 3.213 1.00 72.31 H new ATOM 0 HH2 TRP A 82 1.587 7.105 1.962 1.00 3.44 H new ATOM 1312 N ASN A 83 -2.603 9.789 9.493 1.00 61.14 N ATOM 1313 CA ASN A 83 -3.629 9.245 10.425 1.00 34.35 C ATOM 1314 C ASN A 83 -5.018 9.141 9.755 1.00 22.13 C ATOM 1315 O ASN A 83 -5.890 8.417 10.238 1.00 50.14 O ATOM 1316 CB ASN A 83 -3.712 10.081 11.732 1.00 61.03 C ATOM 1317 CG ASN A 83 -2.404 10.102 12.540 1.00 24.55 C ATOM 1318 OD1 ASN A 83 -1.632 9.136 12.545 1.00 51.14 O ATOM 1319 ND2 ASN A 83 -2.142 11.209 13.220 1.00 70.23 N ATOM 0 H ASN A 83 -2.180 10.661 9.812 1.00 61.14 H new ATOM 0 HA ASN A 83 -3.312 8.236 10.688 1.00 34.35 H new ATOM 0 HB2 ASN A 83 -3.989 11.105 11.480 1.00 61.03 H new ATOM 0 HB3 ASN A 83 -4.509 9.680 12.359 1.00 61.03 H new ATOM 0 HD21 ASN A 83 -1.284 11.281 13.767 1.00 70.23 H new ATOM 0 HD22 ASN A 83 -2.798 11.989 13.196 1.00 70.23 H new ATOM 1326 N LEU A 84 -5.219 9.900 8.654 1.00 31.03 N ATOM 1327 CA LEU A 84 -6.451 9.846 7.846 1.00 40.22 C ATOM 1328 C LEU A 84 -6.467 8.555 6.987 1.00 2.24 C ATOM 1329 O LEU A 84 -7.467 7.836 6.941 1.00 11.42 O ATOM 1330 CB LEU A 84 -6.547 11.110 6.938 1.00 64.12 C ATOM 1331 CG LEU A 84 -6.454 12.492 7.665 1.00 70.14 C ATOM 1332 CD1 LEU A 84 -6.552 13.659 6.663 1.00 63.34 C ATOM 1333 CD2 LEU A 84 -7.510 12.625 8.780 1.00 31.54 C ATOM 0 H LEU A 84 -4.530 10.566 8.304 1.00 31.03 H new ATOM 0 HA LEU A 84 -7.314 9.829 8.511 1.00 40.22 H new ATOM 0 HB2 LEU A 84 -5.751 11.059 6.195 1.00 64.12 H new ATOM 0 HB3 LEU A 84 -7.492 11.071 6.396 1.00 64.12 H new ATOM 0 HG LEU A 84 -5.474 12.541 8.140 1.00 70.14 H new ATOM 0 HD11 LEU A 84 -6.484 14.606 7.199 1.00 63.34 H new ATOM 0 HD12 LEU A 84 -5.736 13.590 5.943 1.00 63.34 H new ATOM 0 HD13 LEU A 84 -7.505 13.608 6.137 1.00 63.34 H new ATOM 0 HD21 LEU A 84 -7.412 13.599 9.260 1.00 31.54 H new ATOM 0 HD22 LEU A 84 -8.507 12.532 8.350 1.00 31.54 H new ATOM 0 HD23 LEU A 84 -7.359 11.839 9.520 1.00 31.54 H new ATOM 1345 N LEU A 85 -5.317 8.258 6.338 1.00 24.11 N ATOM 1346 CA LEU A 85 -5.165 7.115 5.412 1.00 23.40 C ATOM 1347 C LEU A 85 -5.044 5.773 6.166 1.00 43.40 C ATOM 1348 O LEU A 85 -5.658 4.787 5.753 1.00 62.23 O ATOM 1349 CB LEU A 85 -3.915 7.291 4.490 1.00 34.33 C ATOM 1350 CG LEU A 85 -3.926 8.484 3.461 1.00 70.12 C ATOM 1351 CD1 LEU A 85 -3.637 9.839 4.130 1.00 54.45 C ATOM 1352 CD2 LEU A 85 -2.951 8.221 2.289 1.00 40.44 C ATOM 0 H LEU A 85 -4.465 8.809 6.444 1.00 24.11 H new ATOM 0 HA LEU A 85 -6.068 7.096 4.801 1.00 23.40 H new ATOM 0 HB2 LEU A 85 -3.040 7.408 5.130 1.00 34.33 H new ATOM 0 HB3 LEU A 85 -3.779 6.366 3.930 1.00 34.33 H new ATOM 0 HG LEU A 85 -4.937 8.541 3.056 1.00 70.12 H new ATOM 0 HD11 LEU A 85 -3.656 10.628 3.378 1.00 54.45 H new ATOM 0 HD12 LEU A 85 -4.396 10.041 4.886 1.00 54.45 H new ATOM 0 HD13 LEU A 85 -2.654 9.810 4.601 1.00 54.45 H new ATOM 0 HD21 LEU A 85 -2.981 9.061 1.596 1.00 40.44 H new ATOM 0 HD22 LEU A 85 -1.939 8.106 2.677 1.00 40.44 H new ATOM 0 HD23 LEU A 85 -3.246 7.310 1.768 1.00 40.44 H new ATOM 1364 N LYS A 86 -4.236 5.758 7.260 1.00 71.25 N ATOM 1365 CA LYS A 86 -3.857 4.529 8.006 1.00 1.34 C ATOM 1366 C LYS A 86 -5.055 3.586 8.308 1.00 75.10 C ATOM 1367 O LYS A 86 -4.963 2.427 7.947 1.00 62.31 O ATOM 1368 CB LYS A 86 -3.120 4.842 9.337 1.00 62.25 C ATOM 1369 CG LYS A 86 -1.730 5.480 9.212 1.00 23.35 C ATOM 1370 CD LYS A 86 -1.173 5.865 10.603 1.00 42.41 C ATOM 1371 CE LYS A 86 0.161 6.606 10.537 1.00 13.11 C ATOM 1372 NZ LYS A 86 0.555 7.164 11.861 1.00 72.44 N ATOM 0 H LYS A 86 -3.826 6.606 7.651 1.00 71.25 H new ATOM 0 HA LYS A 86 -3.178 4.010 7.329 1.00 1.34 H new ATOM 0 HB2 LYS A 86 -3.750 5.507 9.928 1.00 62.25 H new ATOM 0 HB3 LYS A 86 -3.021 3.914 9.899 1.00 62.25 H new ATOM 0 HG2 LYS A 86 -1.049 4.784 8.723 1.00 23.35 H new ATOM 0 HG3 LYS A 86 -1.788 6.367 8.581 1.00 23.35 H new ATOM 0 HD2 LYS A 86 -1.902 6.490 11.118 1.00 42.41 H new ATOM 0 HD3 LYS A 86 -1.049 4.961 11.200 1.00 42.41 H new ATOM 0 HE2 LYS A 86 0.937 5.926 10.185 1.00 13.11 H new ATOM 0 HE3 LYS A 86 0.091 7.414 9.809 1.00 13.11 H new ATOM 0 HZ1 LYS A 86 1.481 7.629 11.780 1.00 72.44 H new ATOM 0 HZ2 LYS A 86 -0.155 7.858 12.170 1.00 72.44 H new ATOM 0 HZ3 LYS A 86 0.614 6.395 12.558 1.00 72.44 H new ATOM 1386 N PRO A 87 -6.191 4.034 8.972 1.00 74.35 N ATOM 1387 CA PRO A 87 -7.286 3.102 9.342 1.00 70.42 C ATOM 1388 C PRO A 87 -7.890 2.404 8.105 1.00 20.41 C ATOM 1389 O PRO A 87 -8.361 1.273 8.209 1.00 12.04 O ATOM 1390 CB PRO A 87 -8.316 4.008 10.075 1.00 53.35 C ATOM 1391 CG PRO A 87 -7.999 5.399 9.618 1.00 32.51 C ATOM 1392 CD PRO A 87 -6.505 5.428 9.403 1.00 10.13 C ATOM 0 HA PRO A 87 -6.943 2.280 9.970 1.00 70.42 H new ATOM 0 HB2 PRO A 87 -9.339 3.731 9.819 1.00 53.35 H new ATOM 0 HB3 PRO A 87 -8.223 3.917 11.157 1.00 53.35 H new ATOM 0 HG2 PRO A 87 -8.532 5.640 8.698 1.00 32.51 H new ATOM 0 HG3 PRO A 87 -8.302 6.134 10.363 1.00 32.51 H new ATOM 0 HD2 PRO A 87 -6.222 6.157 8.643 1.00 10.13 H new ATOM 0 HD3 PRO A 87 -5.973 5.696 10.316 1.00 10.13 H new ATOM 1400 N ASP A 88 -7.842 3.089 6.932 1.00 13.24 N ATOM 1401 CA ASP A 88 -8.301 2.511 5.655 1.00 12.53 C ATOM 1402 C ASP A 88 -7.245 1.538 5.083 1.00 13.20 C ATOM 1403 O ASP A 88 -7.605 0.488 4.579 1.00 32.12 O ATOM 1404 CB ASP A 88 -8.638 3.615 4.614 1.00 50.13 C ATOM 1405 CG ASP A 88 -9.556 3.095 3.484 1.00 11.10 C ATOM 1406 OD1 ASP A 88 -9.107 2.295 2.636 1.00 20.04 O ATOM 1407 OD2 ASP A 88 -10.744 3.466 3.458 1.00 54.24 O ATOM 0 H ASP A 88 -7.489 4.042 6.852 1.00 13.24 H new ATOM 0 HA ASP A 88 -9.216 1.955 5.860 1.00 12.53 H new ATOM 0 HB2 ASP A 88 -9.124 4.451 5.118 1.00 50.13 H new ATOM 0 HB3 ASP A 88 -7.714 3.998 4.181 1.00 50.13 H new ATOM 1412 N ILE A 89 -5.942 1.904 5.174 1.00 44.03 N ATOM 1413 CA ILE A 89 -4.820 1.065 4.670 1.00 12.43 C ATOM 1414 C ILE A 89 -4.782 -0.270 5.442 1.00 24.40 C ATOM 1415 O ILE A 89 -4.705 -1.343 4.843 1.00 53.24 O ATOM 1416 CB ILE A 89 -3.429 1.820 4.783 1.00 25.14 C ATOM 1417 CG1 ILE A 89 -3.438 3.102 3.887 1.00 35.30 C ATOM 1418 CG2 ILE A 89 -2.232 0.896 4.417 1.00 31.52 C ATOM 1419 CD1 ILE A 89 -2.191 3.964 3.952 1.00 3.03 C ATOM 0 H ILE A 89 -5.638 2.782 5.595 1.00 44.03 H new ATOM 0 HA ILE A 89 -4.992 0.863 3.613 1.00 12.43 H new ATOM 0 HB ILE A 89 -3.295 2.116 5.823 1.00 25.14 H new ATOM 0 HG12 ILE A 89 -3.592 2.797 2.852 1.00 35.30 H new ATOM 0 HG13 ILE A 89 -4.294 3.714 4.170 1.00 35.30 H new ATOM 0 HG21 ILE A 89 -1.300 1.454 4.508 1.00 31.52 H new ATOM 0 HG22 ILE A 89 -2.211 0.042 5.094 1.00 31.52 H new ATOM 0 HG23 ILE A 89 -2.345 0.543 3.392 1.00 31.52 H new ATOM 0 HD11 ILE A 89 -2.308 4.824 3.292 1.00 3.03 H new ATOM 0 HD12 ILE A 89 -2.040 4.310 4.975 1.00 3.03 H new ATOM 0 HD13 ILE A 89 -1.327 3.379 3.636 1.00 3.03 H new ATOM 1431 N TYR A 90 -4.884 -0.158 6.779 1.00 4.21 N ATOM 1432 CA TYR A 90 -4.997 -1.294 7.702 1.00 32.34 C ATOM 1433 C TYR A 90 -6.223 -2.154 7.347 1.00 70.12 C ATOM 1434 O TYR A 90 -6.083 -3.356 7.172 1.00 31.53 O ATOM 1435 CB TYR A 90 -5.065 -0.800 9.182 1.00 52.53 C ATOM 1436 CG TYR A 90 -3.708 -0.366 9.786 1.00 72.45 C ATOM 1437 CD1 TYR A 90 -2.915 0.618 9.184 1.00 21.03 C ATOM 1438 CD2 TYR A 90 -3.226 -0.938 10.966 1.00 62.43 C ATOM 1439 CE1 TYR A 90 -1.709 1.012 9.732 1.00 33.11 C ATOM 1440 CE2 TYR A 90 -2.020 -0.547 11.518 1.00 14.02 C ATOM 1441 CZ TYR A 90 -1.265 0.430 10.901 1.00 61.40 C ATOM 1442 OH TYR A 90 -0.060 0.820 11.454 1.00 43.01 O ATOM 0 H TYR A 90 -4.890 0.745 7.254 1.00 4.21 H new ATOM 0 HA TYR A 90 -4.106 -1.914 7.599 1.00 32.34 H new ATOM 0 HB2 TYR A 90 -5.757 0.041 9.238 1.00 52.53 H new ATOM 0 HB3 TYR A 90 -5.482 -1.597 9.797 1.00 52.53 H new ATOM 0 HD1 TYR A 90 -3.254 1.081 8.269 1.00 21.03 H new ATOM 0 HD2 TYR A 90 -3.808 -1.703 11.458 1.00 62.43 H new ATOM 0 HE1 TYR A 90 -1.116 1.773 9.247 1.00 33.11 H new ATOM 0 HE2 TYR A 90 -1.669 -1.005 12.431 1.00 14.02 H new ATOM 0 HH TYR A 90 0.444 0.027 11.733 1.00 43.01 H new ATOM 1452 N ALA A 91 -7.402 -1.502 7.197 1.00 51.21 N ATOM 1453 CA ALA A 91 -8.671 -2.184 6.862 1.00 62.43 C ATOM 1454 C ALA A 91 -8.548 -3.019 5.565 1.00 55.44 C ATOM 1455 O ALA A 91 -8.797 -4.224 5.579 1.00 30.43 O ATOM 1456 CB ALA A 91 -9.804 -1.153 6.747 1.00 20.15 C ATOM 0 H ALA A 91 -7.497 -0.492 7.305 1.00 51.21 H new ATOM 0 HA ALA A 91 -8.906 -2.880 7.668 1.00 62.43 H new ATOM 0 HB1 ALA A 91 -10.736 -1.662 6.500 1.00 20.15 H new ATOM 0 HB2 ALA A 91 -9.917 -0.629 7.696 1.00 20.15 H new ATOM 0 HB3 ALA A 91 -9.564 -0.435 5.963 1.00 20.15 H new ATOM 1462 N THR A 92 -8.095 -2.348 4.489 1.00 41.03 N ATOM 1463 CA THR A 92 -7.899 -2.918 3.140 1.00 64.23 C ATOM 1464 C THR A 92 -6.989 -4.169 3.165 1.00 35.31 C ATOM 1465 O THR A 92 -7.350 -5.222 2.620 1.00 12.30 O ATOM 1466 CB THR A 92 -7.286 -1.824 2.202 1.00 65.01 C ATOM 1467 OG1 THR A 92 -8.189 -0.708 2.097 1.00 11.05 O ATOM 1468 CG2 THR A 92 -6.983 -2.354 0.798 1.00 12.35 C ATOM 0 H THR A 92 -7.846 -1.360 4.535 1.00 41.03 H new ATOM 0 HA THR A 92 -8.871 -3.234 2.761 1.00 64.23 H new ATOM 0 HB THR A 92 -6.343 -1.514 2.651 1.00 65.01 H new ATOM 0 HG1 THR A 92 -8.123 -0.157 2.905 1.00 11.05 H new ATOM 0 HG21 THR A 92 -6.560 -1.554 0.190 1.00 12.35 H new ATOM 0 HG22 THR A 92 -6.269 -3.175 0.865 1.00 12.35 H new ATOM 0 HG23 THR A 92 -7.904 -2.711 0.337 1.00 12.35 H new ATOM 1476 N ILE A 93 -5.822 -4.024 3.826 1.00 11.03 N ATOM 1477 CA ILE A 93 -4.827 -5.102 3.980 1.00 4.11 C ATOM 1478 C ILE A 93 -5.441 -6.290 4.751 1.00 4.41 C ATOM 1479 O ILE A 93 -5.367 -7.434 4.295 1.00 32.04 O ATOM 1480 CB ILE A 93 -3.520 -4.579 4.711 1.00 43.33 C ATOM 1481 CG1 ILE A 93 -2.730 -3.583 3.798 1.00 41.41 C ATOM 1482 CG2 ILE A 93 -2.605 -5.740 5.184 1.00 72.24 C ATOM 1483 CD1 ILE A 93 -1.516 -2.938 4.459 1.00 53.23 C ATOM 0 H ILE A 93 -5.543 -3.149 4.270 1.00 11.03 H new ATOM 0 HA ILE A 93 -4.538 -5.440 2.985 1.00 4.11 H new ATOM 0 HB ILE A 93 -3.846 -4.046 5.604 1.00 43.33 H new ATOM 0 HG12 ILE A 93 -2.401 -4.113 2.904 1.00 41.41 H new ATOM 0 HG13 ILE A 93 -3.409 -2.796 3.470 1.00 41.41 H new ATOM 0 HG21 ILE A 93 -1.724 -5.331 5.678 1.00 72.24 H new ATOM 0 HG22 ILE A 93 -3.152 -6.373 5.883 1.00 72.24 H new ATOM 0 HG23 ILE A 93 -2.296 -6.333 4.323 1.00 72.24 H new ATOM 0 HD11 ILE A 93 -1.032 -2.264 3.752 1.00 53.23 H new ATOM 0 HD12 ILE A 93 -1.835 -2.375 5.336 1.00 53.23 H new ATOM 0 HD13 ILE A 93 -0.812 -3.713 4.762 1.00 53.23 H new ATOM 1495 N MET A 94 -6.096 -5.989 5.891 1.00 23.51 N ATOM 1496 CA MET A 94 -6.673 -7.015 6.777 1.00 23.14 C ATOM 1497 C MET A 94 -7.700 -7.878 6.026 1.00 71.44 C ATOM 1498 O MET A 94 -7.617 -9.102 6.078 1.00 42.31 O ATOM 1499 CB MET A 94 -7.301 -6.378 8.049 1.00 35.15 C ATOM 1500 CG MET A 94 -6.280 -5.805 9.047 1.00 34.40 C ATOM 1501 SD MET A 94 -7.031 -5.244 10.592 1.00 41.20 S ATOM 1502 CE MET A 94 -8.185 -3.973 10.055 1.00 63.23 C ATOM 0 H MET A 94 -6.238 -5.034 6.220 1.00 23.51 H new ATOM 0 HA MET A 94 -5.861 -7.665 7.102 1.00 23.14 H new ATOM 0 HB2 MET A 94 -7.978 -5.580 7.744 1.00 35.15 H new ATOM 0 HB3 MET A 94 -7.903 -7.131 8.557 1.00 35.15 H new ATOM 0 HG2 MET A 94 -5.533 -6.567 9.270 1.00 34.40 H new ATOM 0 HG3 MET A 94 -5.756 -4.970 8.581 1.00 34.40 H new ATOM 0 HE1 MET A 94 -8.662 -3.523 10.926 1.00 63.23 H new ATOM 0 HE2 MET A 94 -7.648 -3.205 9.499 1.00 63.23 H new ATOM 0 HE3 MET A 94 -8.946 -4.419 9.415 1.00 63.23 H new ATOM 1512 N ASP A 95 -8.625 -7.216 5.309 1.00 5.40 N ATOM 1513 CA ASP A 95 -9.662 -7.882 4.487 1.00 64.23 C ATOM 1514 C ASP A 95 -9.046 -8.773 3.387 1.00 4.41 C ATOM 1515 O ASP A 95 -9.452 -9.926 3.213 1.00 34.41 O ATOM 1516 CB ASP A 95 -10.600 -6.827 3.828 1.00 44.45 C ATOM 1517 CG ASP A 95 -11.490 -6.069 4.834 1.00 31.42 C ATOM 1518 OD1 ASP A 95 -12.175 -6.725 5.648 1.00 72.34 O ATOM 1519 OD2 ASP A 95 -11.515 -4.818 4.824 1.00 54.21 O ATOM 0 H ASP A 95 -8.678 -6.198 5.280 1.00 5.40 H new ATOM 0 HA ASP A 95 -10.237 -8.518 5.159 1.00 64.23 H new ATOM 0 HB2 ASP A 95 -9.993 -6.107 3.280 1.00 44.45 H new ATOM 0 HB3 ASP A 95 -11.237 -7.327 3.098 1.00 44.45 H new ATOM 1524 N PHE A 96 -8.048 -8.215 2.675 1.00 0.32 N ATOM 1525 CA PHE A 96 -7.423 -8.834 1.486 1.00 34.33 C ATOM 1526 C PHE A 96 -6.730 -10.177 1.836 1.00 52.41 C ATOM 1527 O PHE A 96 -6.994 -11.210 1.203 1.00 4.31 O ATOM 1528 CB PHE A 96 -6.406 -7.824 0.881 1.00 62.32 C ATOM 1529 CG PHE A 96 -5.721 -8.281 -0.402 1.00 2.45 C ATOM 1530 CD1 PHE A 96 -6.371 -8.176 -1.626 1.00 34.14 C ATOM 1531 CD2 PHE A 96 -4.430 -8.807 -0.387 1.00 11.31 C ATOM 1532 CE1 PHE A 96 -5.754 -8.582 -2.788 1.00 75.14 C ATOM 1533 CE2 PHE A 96 -3.819 -9.211 -1.551 1.00 61.42 C ATOM 1534 CZ PHE A 96 -4.482 -9.099 -2.752 1.00 72.10 C ATOM 0 H PHE A 96 -7.646 -7.308 2.912 1.00 0.32 H new ATOM 0 HA PHE A 96 -8.197 -9.065 0.754 1.00 34.33 H new ATOM 0 HB2 PHE A 96 -6.924 -6.886 0.683 1.00 62.32 H new ATOM 0 HB3 PHE A 96 -5.640 -7.613 1.627 1.00 62.32 H new ATOM 0 HD1 PHE A 96 -7.372 -7.771 -1.666 1.00 34.14 H new ATOM 0 HD2 PHE A 96 -3.903 -8.898 0.551 1.00 11.31 H new ATOM 0 HE1 PHE A 96 -6.272 -8.494 -3.731 1.00 75.14 H new ATOM 0 HE2 PHE A 96 -2.818 -9.616 -1.523 1.00 61.42 H new ATOM 0 HZ PHE A 96 -4.002 -9.418 -3.666 1.00 72.10 H new ATOM 1544 N PHE A 97 -5.852 -10.137 2.856 1.00 32.54 N ATOM 1545 CA PHE A 97 -5.064 -11.311 3.297 1.00 64.45 C ATOM 1546 C PHE A 97 -5.927 -12.298 4.122 1.00 62.21 C ATOM 1547 O PHE A 97 -5.626 -13.499 4.159 1.00 10.52 O ATOM 1548 CB PHE A 97 -3.811 -10.858 4.096 1.00 10.12 C ATOM 1549 CG PHE A 97 -2.771 -10.079 3.269 1.00 33.03 C ATOM 1550 CD1 PHE A 97 -2.933 -8.722 3.004 1.00 21.33 C ATOM 1551 CD2 PHE A 97 -1.628 -10.699 2.767 1.00 13.35 C ATOM 1552 CE1 PHE A 97 -2.005 -8.012 2.275 1.00 64.43 C ATOM 1553 CE2 PHE A 97 -0.696 -9.984 2.031 1.00 30.20 C ATOM 1554 CZ PHE A 97 -0.889 -8.642 1.789 1.00 75.04 C ATOM 0 H PHE A 97 -5.667 -9.293 3.399 1.00 32.54 H new ATOM 0 HA PHE A 97 -4.728 -11.842 2.407 1.00 64.45 H new ATOM 0 HB2 PHE A 97 -4.134 -10.235 4.930 1.00 10.12 H new ATOM 0 HB3 PHE A 97 -3.331 -11.738 4.523 1.00 10.12 H new ATOM 0 HD1 PHE A 97 -3.808 -8.213 3.380 1.00 21.33 H new ATOM 0 HD2 PHE A 97 -1.466 -11.750 2.954 1.00 13.35 H new ATOM 0 HE1 PHE A 97 -2.157 -6.959 2.086 1.00 64.43 H new ATOM 0 HE2 PHE A 97 0.183 -10.480 1.647 1.00 30.20 H new ATOM 0 HZ PHE A 97 -0.161 -8.086 1.216 1.00 75.04 H new ATOM 1564 N ALA A 98 -7.000 -11.784 4.772 1.00 21.03 N ATOM 1565 CA ALA A 98 -7.995 -12.631 5.474 1.00 12.31 C ATOM 1566 C ALA A 98 -8.811 -13.461 4.470 1.00 75.34 C ATOM 1567 O ALA A 98 -9.214 -14.593 4.767 1.00 31.40 O ATOM 1568 CB ALA A 98 -8.939 -11.777 6.334 1.00 73.31 C ATOM 0 H ALA A 98 -7.198 -10.785 4.824 1.00 21.03 H new ATOM 0 HA ALA A 98 -7.447 -13.309 6.128 1.00 12.31 H new ATOM 0 HB1 ALA A 98 -9.658 -12.424 6.837 1.00 73.31 H new ATOM 0 HB2 ALA A 98 -8.359 -11.231 7.078 1.00 73.31 H new ATOM 0 HB3 ALA A 98 -9.471 -11.069 5.698 1.00 73.31 H new ATOM 1574 N SER A 99 -9.057 -12.873 3.284 1.00 72.12 N ATOM 1575 CA SER A 99 -9.773 -13.541 2.182 1.00 50.51 C ATOM 1576 C SER A 99 -8.833 -14.479 1.404 1.00 43.05 C ATOM 1577 O SER A 99 -9.292 -15.398 0.707 1.00 41.41 O ATOM 1578 CB SER A 99 -10.382 -12.485 1.238 1.00 42.31 C ATOM 1579 OG SER A 99 -11.296 -11.648 1.927 1.00 43.43 O ATOM 0 H SER A 99 -8.765 -11.921 3.063 1.00 72.12 H new ATOM 0 HA SER A 99 -10.575 -14.145 2.605 1.00 50.51 H new ATOM 0 HB2 SER A 99 -9.586 -11.879 0.804 1.00 42.31 H new ATOM 0 HB3 SER A 99 -10.891 -12.982 0.412 1.00 42.31 H new ATOM 0 HG SER A 99 -10.801 -10.975 2.440 1.00 43.43 H new ATOM 1585 N GLY A 100 -7.511 -14.228 1.537 1.00 72.41 N ATOM 1586 CA GLY A 100 -6.486 -15.002 0.846 1.00 42.33 C ATOM 1587 C GLY A 100 -6.491 -14.761 -0.656 1.00 2.43 C ATOM 1588 O GLY A 100 -6.345 -15.703 -1.445 1.00 24.25 O ATOM 0 H GLY A 100 -7.138 -13.484 2.127 1.00 72.41 H new ATOM 0 HA2 GLY A 100 -5.507 -14.744 1.249 1.00 42.33 H new ATOM 0 HA3 GLY A 100 -6.642 -16.063 1.041 1.00 42.33 H new ATOM 1592 N LEU A 101 -6.696 -13.490 -1.043 1.00 52.43 N ATOM 1593 CA LEU A 101 -6.702 -13.063 -2.454 1.00 5.44 C ATOM 1594 C LEU A 101 -5.247 -12.955 -2.966 1.00 52.22 C ATOM 1595 O LEU A 101 -4.362 -12.589 -2.185 1.00 64.50 O ATOM 1596 CB LEU A 101 -7.434 -11.697 -2.593 1.00 15.42 C ATOM 1597 CG LEU A 101 -8.914 -11.645 -2.100 1.00 13.03 C ATOM 1598 CD1 LEU A 101 -9.494 -10.221 -2.216 1.00 2.15 C ATOM 1599 CD2 LEU A 101 -9.797 -12.669 -2.848 1.00 32.54 C ATOM 0 H LEU A 101 -6.863 -12.728 -0.385 1.00 52.43 H new ATOM 0 HA LEU A 101 -7.234 -13.800 -3.055 1.00 5.44 H new ATOM 0 HB2 LEU A 101 -6.865 -10.948 -2.043 1.00 15.42 H new ATOM 0 HB3 LEU A 101 -7.414 -11.405 -3.643 1.00 15.42 H new ATOM 0 HG LEU A 101 -8.915 -11.919 -1.045 1.00 13.03 H new ATOM 0 HD11 LEU A 101 -10.526 -10.219 -1.865 1.00 2.15 H new ATOM 0 HD12 LEU A 101 -8.902 -9.536 -1.608 1.00 2.15 H new ATOM 0 HD13 LEU A 101 -9.464 -9.900 -3.257 1.00 2.15 H new ATOM 0 HD21 LEU A 101 -10.821 -12.605 -2.479 1.00 32.54 H new ATOM 0 HD22 LEU A 101 -9.782 -12.451 -3.916 1.00 32.54 H new ATOM 0 HD23 LEU A 101 -9.412 -13.674 -2.677 1.00 32.54 H new ATOM 1611 N PRO A 102 -4.963 -13.295 -4.267 1.00 34.11 N ATOM 1612 CA PRO A 102 -3.597 -13.198 -4.844 1.00 25.50 C ATOM 1613 C PRO A 102 -3.078 -11.750 -4.836 1.00 43.24 C ATOM 1614 O PRO A 102 -3.749 -10.856 -5.359 1.00 71.42 O ATOM 1615 CB PRO A 102 -3.771 -13.726 -6.298 1.00 52.34 C ATOM 1616 CG PRO A 102 -5.036 -14.527 -6.257 1.00 62.01 C ATOM 1617 CD PRO A 102 -5.929 -13.803 -5.275 1.00 72.11 C ATOM 0 HA PRO A 102 -2.863 -13.766 -4.272 1.00 25.50 H new ATOM 0 HB2 PRO A 102 -3.844 -12.906 -7.012 1.00 52.34 H new ATOM 0 HB3 PRO A 102 -2.923 -14.339 -6.602 1.00 52.34 H new ATOM 0 HG2 PRO A 102 -5.498 -14.584 -7.242 1.00 62.01 H new ATOM 0 HG3 PRO A 102 -4.844 -15.551 -5.935 1.00 62.01 H new ATOM 0 HD2 PRO A 102 -6.481 -12.993 -5.751 1.00 72.11 H new ATOM 0 HD3 PRO A 102 -6.666 -14.471 -4.829 1.00 72.11 H new ATOM 1625 N LEU A 103 -1.899 -11.539 -4.209 1.00 24.31 N ATOM 1626 CA LEU A 103 -1.240 -10.220 -4.098 1.00 20.35 C ATOM 1627 C LEU A 103 -1.041 -9.606 -5.498 1.00 54.33 C ATOM 1628 O LEU A 103 -1.381 -8.448 -5.730 1.00 4.00 O ATOM 1629 CB LEU A 103 0.122 -10.382 -3.335 1.00 15.40 C ATOM 1630 CG LEU A 103 0.762 -9.103 -2.673 1.00 31.42 C ATOM 1631 CD1 LEU A 103 1.369 -8.110 -3.687 1.00 72.15 C ATOM 1632 CD2 LEU A 103 -0.247 -8.398 -1.751 1.00 25.13 C ATOM 0 H LEU A 103 -1.373 -12.289 -3.761 1.00 24.31 H new ATOM 0 HA LEU A 103 -1.871 -9.537 -3.529 1.00 20.35 H new ATOM 0 HB2 LEU A 103 -0.022 -11.126 -2.551 1.00 15.40 H new ATOM 0 HB3 LEU A 103 0.849 -10.793 -4.035 1.00 15.40 H new ATOM 0 HG LEU A 103 1.599 -9.466 -2.076 1.00 31.42 H new ATOM 0 HD11 LEU A 103 1.789 -7.257 -3.154 1.00 72.15 H new ATOM 0 HD12 LEU A 103 2.156 -8.606 -4.256 1.00 72.15 H new ATOM 0 HD13 LEU A 103 0.591 -7.765 -4.368 1.00 72.15 H new ATOM 0 HD21 LEU A 103 0.219 -7.519 -1.306 1.00 25.13 H new ATOM 0 HD22 LEU A 103 -1.118 -8.093 -2.331 1.00 25.13 H new ATOM 0 HD23 LEU A 103 -0.558 -9.082 -0.961 1.00 25.13 H new ATOM 1644 N VAL A 104 -0.521 -10.435 -6.416 1.00 4.52 N ATOM 1645 CA VAL A 104 -0.210 -10.053 -7.803 1.00 25.11 C ATOM 1646 C VAL A 104 -0.945 -11.023 -8.747 1.00 4.41 C ATOM 1647 O VAL A 104 -0.782 -12.243 -8.625 1.00 23.32 O ATOM 1648 CB VAL A 104 1.351 -10.111 -8.062 1.00 40.41 C ATOM 1649 CG1 VAL A 104 1.705 -9.815 -9.532 1.00 35.54 C ATOM 1650 CG2 VAL A 104 2.114 -9.144 -7.128 1.00 0.31 C ATOM 0 H VAL A 104 -0.300 -11.410 -6.211 1.00 4.52 H new ATOM 0 HA VAL A 104 -0.539 -9.030 -7.986 1.00 25.11 H new ATOM 0 HB VAL A 104 1.664 -11.131 -7.840 1.00 40.41 H new ATOM 0 HG11 VAL A 104 2.786 -9.866 -9.663 1.00 35.54 H new ATOM 0 HG12 VAL A 104 1.226 -10.552 -10.177 1.00 35.54 H new ATOM 0 HG13 VAL A 104 1.354 -8.818 -9.797 1.00 35.54 H new ATOM 0 HG21 VAL A 104 3.183 -9.209 -7.332 1.00 0.31 H new ATOM 0 HG22 VAL A 104 1.772 -8.124 -7.303 1.00 0.31 H new ATOM 0 HG23 VAL A 104 1.926 -9.417 -6.090 1.00 0.31 H new ATOM 1660 N THR A 105 -1.774 -10.481 -9.650 1.00 60.20 N ATOM 1661 CA THR A 105 -2.500 -11.270 -10.669 1.00 12.44 C ATOM 1662 C THR A 105 -1.678 -11.389 -11.978 1.00 21.41 C ATOM 1663 O THR A 105 -1.704 -12.431 -12.639 1.00 74.11 O ATOM 1664 CB THR A 105 -3.898 -10.628 -10.963 1.00 72.44 C ATOM 1665 OG1 THR A 105 -3.748 -9.216 -11.200 1.00 54.21 O ATOM 1666 CG2 THR A 105 -4.894 -10.846 -9.808 1.00 32.24 C ATOM 0 H THR A 105 -1.964 -9.480 -9.699 1.00 60.20 H new ATOM 0 HA THR A 105 -2.649 -12.274 -10.271 1.00 12.44 H new ATOM 0 HB THR A 105 -4.300 -11.120 -11.849 1.00 72.44 H new ATOM 0 HG1 THR A 105 -4.625 -8.820 -11.385 1.00 54.21 H new ATOM 0 HG21 THR A 105 -5.849 -10.383 -10.058 1.00 32.24 H new ATOM 0 HG22 THR A 105 -5.039 -11.915 -9.650 1.00 32.24 H new ATOM 0 HG23 THR A 105 -4.500 -10.395 -8.897 1.00 32.24 H new ATOM 1674 N GLU A 106 -0.954 -10.313 -12.332 1.00 63.00 N ATOM 1675 CA GLU A 106 -0.080 -10.268 -13.531 1.00 72.25 C ATOM 1676 C GLU A 106 1.047 -9.239 -13.311 1.00 62.52 C ATOM 1677 O GLU A 106 1.058 -8.542 -12.294 1.00 21.30 O ATOM 1678 CB GLU A 106 -0.904 -9.931 -14.809 1.00 0.04 C ATOM 1679 CG GLU A 106 -1.549 -8.530 -14.820 1.00 73.41 C ATOM 1680 CD GLU A 106 -2.393 -8.258 -16.075 1.00 10.13 C ATOM 1681 OE1 GLU A 106 -1.811 -7.997 -17.149 1.00 45.45 O ATOM 1682 OE2 GLU A 106 -3.640 -8.317 -15.998 1.00 0.14 O ATOM 0 H GLU A 106 -0.954 -9.444 -11.797 1.00 63.00 H new ATOM 0 HA GLU A 106 0.366 -11.251 -13.681 1.00 72.25 H new ATOM 0 HB2 GLU A 106 -0.251 -10.021 -15.677 1.00 0.04 H new ATOM 0 HB3 GLU A 106 -1.690 -10.677 -14.923 1.00 0.04 H new ATOM 0 HG2 GLU A 106 -2.178 -8.421 -13.937 1.00 73.41 H new ATOM 0 HG3 GLU A 106 -0.765 -7.776 -14.748 1.00 73.41 H new ATOM 1689 N GLU A 107 1.978 -9.133 -14.264 1.00 14.13 N ATOM 1690 CA GLU A 107 3.158 -8.253 -14.137 1.00 4.22 C ATOM 1691 C GLU A 107 3.474 -7.589 -15.508 1.00 12.23 C ATOM 1692 O GLU A 107 4.579 -7.764 -16.074 1.00 41.31 O ATOM 1693 CB GLU A 107 4.345 -9.080 -13.535 1.00 33.44 C ATOM 1694 CG GLU A 107 4.591 -10.438 -14.229 1.00 62.10 C ATOM 1695 CD GLU A 107 5.730 -11.253 -13.599 1.00 21.03 C ATOM 1696 OE1 GLU A 107 6.908 -10.990 -13.921 1.00 64.30 O ATOM 1697 OE2 GLU A 107 5.451 -12.160 -12.780 1.00 74.42 O ATOM 1698 OXT GLU A 107 2.583 -6.893 -16.031 1.00 37.69 O ATOM 0 H GLU A 107 1.941 -9.649 -15.143 1.00 14.13 H new ATOM 0 HA GLU A 107 2.967 -7.430 -13.448 1.00 4.22 H new ATOM 0 HB2 GLU A 107 5.255 -8.484 -13.596 1.00 33.44 H new ATOM 0 HB3 GLU A 107 4.150 -9.256 -12.477 1.00 33.44 H new ATOM 0 HG2 GLU A 107 3.673 -11.025 -14.195 1.00 62.10 H new ATOM 0 HG3 GLU A 107 4.819 -10.263 -15.280 1.00 62.10 H new TER 1705 GLU A 107