USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 935 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 90 TYR OH : rot -98:sc= 0.776 USER MOD Set 1.2: A 108 GLN :FLIP amide:sc= 0.531 F(o=0.079,f=1.3) USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 0.386 USER MOD Set 2.2: A 85 THR OG1 : rot -90:sc= 0.419 USER MOD Set 3.1: A 69 ASN : amide:sc= 0.449 K(o=0.85,f=-3.6!) USER MOD Set 3.2: A 70 THR OG1 : rot 46:sc= 0.402 USER MOD Set 4.1: A 21 ASN :FLIP amide:sc= 0.15 F(o=-0.92,f=0.26) USER MOD Set 4.2: A 23 THR OG1 : rot 16:sc= 0.107 USER MOD Set 5.1: A 17 GLN : amide:sc= -0.703 K(o=-0.7,f=-5.7!) USER MOD Set 5.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -133:sc= -0.171 (180deg=-2.75!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.012) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.17) USER MOD Single : A 28 GLN : amide:sc= 0.304 X(o=0.3,f=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.486 F(o=-1.8,f=-0.49) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0133) USER MOD Single : A 36 SER OG : rot 180:sc= 0.241 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.145 F(o=-1.7!,f=-0.15) USER MOD Single : A 46 HIS : no HE2:sc= 0.0761 K(o=0.076,f=-1.4) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.591 F(o=-2.1,f=-0.59) USER MOD Single : A 56 HIS : no HD1:sc= -0.0213 X(o=-0.021,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= 1.02 (180deg=0.869) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.299 K(o=-0.3,f=-1.1) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -9:sc= 0.475 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.14) USER MOD Single : A 88 THR OG1 : rot 164:sc= 0.269 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.278 K(o=-0.28,f=-1.7) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.31) USER MOD Single : A 117 HIS : no HD1:sc=-0.00481 X(o=-0.0048,f=-0.0035) USER MOD Single : A 118 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.13) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.980 -15.159 -8.188 1.00 73.11 N ATOM 2 CA MET A 1 2.841 -14.292 -7.343 1.00 72.15 C ATOM 3 C MET A 1 4.276 -14.324 -7.885 1.00 51.21 C ATOM 4 O MET A 1 4.973 -15.334 -7.729 1.00 5.35 O ATOM 5 CB MET A 1 2.781 -14.769 -5.869 1.00 71.32 C ATOM 6 CG MET A 1 3.547 -13.902 -4.853 1.00 51.24 C ATOM 7 SD MET A 1 3.327 -14.479 -3.149 1.00 70.53 S ATOM 8 CE MET A 1 4.358 -13.334 -2.231 1.00 62.22 C ATOM 0 H1 MET A 1 1.006 -15.141 -7.824 1.00 73.11 H new ATOM 0 H2 MET A 1 1.991 -14.810 -9.168 1.00 73.11 H new ATOM 0 H3 MET A 1 2.340 -16.134 -8.164 1.00 73.11 H new ATOM 0 HA MET A 1 2.483 -13.263 -7.375 1.00 72.15 H new ATOM 0 HB2 MET A 1 1.736 -14.815 -5.564 1.00 71.32 H new ATOM 0 HB3 MET A 1 3.172 -15.785 -5.819 1.00 71.32 H new ATOM 0 HG2 MET A 1 4.608 -13.908 -5.102 1.00 51.24 H new ATOM 0 HG3 MET A 1 3.207 -12.869 -4.931 1.00 51.24 H new ATOM 0 HE1 MET A 1 4.981 -13.888 -1.529 1.00 62.22 H new ATOM 0 HE2 MET A 1 4.994 -12.782 -2.923 1.00 62.22 H new ATOM 0 HE3 MET A 1 3.726 -12.635 -1.683 1.00 62.22 H new ATOM 20 N GLN A 2 4.682 -13.218 -8.544 1.00 10.45 N ATOM 21 CA GLN A 2 5.980 -13.096 -9.239 1.00 42.23 C ATOM 22 C GLN A 2 7.169 -13.322 -8.292 1.00 24.24 C ATOM 23 O GLN A 2 7.996 -14.214 -8.505 1.00 34.54 O ATOM 24 CB GLN A 2 6.093 -11.693 -9.904 1.00 51.12 C ATOM 25 CG GLN A 2 5.163 -11.450 -11.104 1.00 23.45 C ATOM 26 CD GLN A 2 5.528 -12.308 -12.318 1.00 40.23 C ATOM 27 OE1 GLN A 2 5.025 -13.417 -12.483 1.00 54.14 O ATOM 28 NE2 GLN A 2 6.431 -11.814 -13.158 1.00 65.14 N ATOM 0 H GLN A 2 4.111 -12.375 -8.609 1.00 10.45 H new ATOM 0 HA GLN A 2 6.017 -13.873 -10.002 1.00 42.23 H new ATOM 0 HB2 GLN A 2 5.887 -10.935 -9.148 1.00 51.12 H new ATOM 0 HB3 GLN A 2 7.123 -11.547 -10.230 1.00 51.12 H new ATOM 0 HG2 GLN A 2 4.135 -11.662 -10.810 1.00 23.45 H new ATOM 0 HG3 GLN A 2 5.204 -10.397 -11.383 1.00 23.45 H new ATOM 0 HE21 GLN A 2 6.830 -10.890 -12.993 1.00 65.14 H new ATOM 0 HE22 GLN A 2 6.726 -12.359 -13.968 1.00 65.14 H new ATOM 37 N ASP A 3 7.215 -12.527 -7.228 1.00 24.15 N ATOM 38 CA ASP A 3 8.343 -12.500 -6.280 1.00 53.42 C ATOM 39 C ASP A 3 7.888 -11.869 -4.954 1.00 43.15 C ATOM 40 O ASP A 3 6.841 -11.231 -4.910 1.00 3.31 O ATOM 41 CB ASP A 3 9.538 -11.724 -6.924 1.00 74.43 C ATOM 42 CG ASP A 3 10.690 -11.392 -5.960 1.00 61.11 C ATOM 43 OD1 ASP A 3 11.345 -12.320 -5.443 1.00 64.54 O ATOM 44 OD2 ASP A 3 10.951 -10.197 -5.723 1.00 74.32 O ATOM 0 H ASP A 3 6.468 -11.875 -6.990 1.00 24.15 H new ATOM 0 HA ASP A 3 8.682 -13.513 -6.060 1.00 53.42 H new ATOM 0 HB2 ASP A 3 9.934 -12.316 -7.750 1.00 74.43 H new ATOM 0 HB3 ASP A 3 9.161 -10.794 -7.350 1.00 74.43 H new ATOM 49 N ILE A 4 8.670 -12.082 -3.879 1.00 30.34 N ATOM 50 CA ILE A 4 8.396 -11.522 -2.533 1.00 13.22 C ATOM 51 C ILE A 4 8.451 -9.977 -2.554 1.00 55.34 C ATOM 52 O ILE A 4 7.528 -9.296 -2.082 1.00 72.14 O ATOM 53 CB ILE A 4 9.450 -12.073 -1.486 1.00 73.11 C ATOM 54 CG1 ILE A 4 9.390 -13.630 -1.390 1.00 55.51 C ATOM 55 CG2 ILE A 4 9.288 -11.427 -0.084 1.00 73.10 C ATOM 56 CD1 ILE A 4 8.063 -14.207 -0.899 1.00 72.24 C ATOM 0 H ILE A 4 9.516 -12.650 -3.915 1.00 30.34 H new ATOM 0 HA ILE A 4 7.393 -11.832 -2.238 1.00 13.22 H new ATOM 0 HB ILE A 4 10.435 -11.788 -1.857 1.00 73.11 H new ATOM 0 HG12 ILE A 4 9.605 -14.046 -2.374 1.00 55.51 H new ATOM 0 HG13 ILE A 4 10.182 -13.966 -0.721 1.00 55.51 H new ATOM 0 HG21 ILE A 4 10.034 -11.839 0.595 1.00 73.10 H new ATOM 0 HG22 ILE A 4 9.425 -10.349 -0.162 1.00 73.10 H new ATOM 0 HG23 ILE A 4 8.291 -11.639 0.301 1.00 73.10 H new ATOM 0 HD11 ILE A 4 8.128 -15.295 -0.869 1.00 72.24 H new ATOM 0 HD12 ILE A 4 7.849 -13.829 0.101 1.00 72.24 H new ATOM 0 HD13 ILE A 4 7.264 -13.910 -1.578 1.00 72.24 H new ATOM 68 N VAL A 5 9.544 -9.453 -3.123 1.00 25.30 N ATOM 69 CA VAL A 5 9.818 -8.007 -3.195 1.00 63.34 C ATOM 70 C VAL A 5 8.881 -7.335 -4.221 1.00 2.13 C ATOM 71 O VAL A 5 8.424 -6.203 -4.013 1.00 43.22 O ATOM 72 CB VAL A 5 11.327 -7.779 -3.564 1.00 54.25 C ATOM 73 CG1 VAL A 5 11.703 -6.290 -3.645 1.00 44.35 C ATOM 74 CG2 VAL A 5 12.250 -8.532 -2.578 1.00 41.41 C ATOM 0 H VAL A 5 10.272 -10.025 -3.552 1.00 25.30 H new ATOM 0 HA VAL A 5 9.626 -7.550 -2.224 1.00 63.34 H new ATOM 0 HB VAL A 5 11.473 -8.189 -4.564 1.00 54.25 H new ATOM 0 HG11 VAL A 5 12.758 -6.195 -3.903 1.00 44.35 H new ATOM 0 HG12 VAL A 5 11.097 -5.803 -4.409 1.00 44.35 H new ATOM 0 HG13 VAL A 5 11.521 -5.816 -2.680 1.00 44.35 H new ATOM 0 HG21 VAL A 5 13.291 -8.361 -2.851 1.00 41.41 H new ATOM 0 HG22 VAL A 5 12.076 -8.167 -1.566 1.00 41.41 H new ATOM 0 HG23 VAL A 5 12.034 -9.600 -2.621 1.00 41.41 H new ATOM 84 N GLU A 6 8.587 -8.066 -5.321 1.00 42.04 N ATOM 85 CA GLU A 6 7.604 -7.623 -6.335 1.00 31.24 C ATOM 86 C GLU A 6 6.186 -7.585 -5.743 1.00 1.30 C ATOM 87 O GLU A 6 5.386 -6.716 -6.086 1.00 54.33 O ATOM 88 CB GLU A 6 7.643 -8.544 -7.581 1.00 23.22 C ATOM 89 CG GLU A 6 6.658 -8.172 -8.716 1.00 13.51 C ATOM 90 CD GLU A 6 6.953 -6.815 -9.397 1.00 60.21 C ATOM 91 OE1 GLU A 6 6.498 -5.762 -8.899 1.00 15.43 O ATOM 92 OE2 GLU A 6 7.619 -6.806 -10.459 1.00 1.34 O ATOM 0 H GLU A 6 9.018 -8.967 -5.529 1.00 42.04 H new ATOM 0 HA GLU A 6 7.875 -6.614 -6.644 1.00 31.24 H new ATOM 0 HB2 GLU A 6 8.655 -8.536 -7.985 1.00 23.22 H new ATOM 0 HB3 GLU A 6 7.434 -9.565 -7.263 1.00 23.22 H new ATOM 0 HG2 GLU A 6 6.680 -8.957 -9.472 1.00 13.51 H new ATOM 0 HG3 GLU A 6 5.647 -8.149 -8.310 1.00 13.51 H new ATOM 99 N ALA A 7 5.889 -8.538 -4.848 1.00 64.52 N ATOM 100 CA ALA A 7 4.589 -8.611 -4.167 1.00 35.31 C ATOM 101 C ALA A 7 4.389 -7.384 -3.278 1.00 75.15 C ATOM 102 O ALA A 7 3.310 -6.814 -3.236 1.00 2.33 O ATOM 103 CB ALA A 7 4.484 -9.886 -3.337 1.00 14.31 C ATOM 0 H ALA A 7 6.539 -9.276 -4.577 1.00 64.52 H new ATOM 0 HA ALA A 7 3.806 -8.630 -4.925 1.00 35.31 H new ATOM 0 HB1 ALA A 7 3.514 -9.919 -2.842 1.00 14.31 H new ATOM 0 HB2 ALA A 7 4.589 -10.754 -3.988 1.00 14.31 H new ATOM 0 HB3 ALA A 7 5.275 -9.898 -2.587 1.00 14.31 H new ATOM 109 N ALA A 8 5.461 -6.987 -2.590 1.00 2.44 N ATOM 110 CA ALA A 8 5.472 -5.801 -1.726 1.00 10.10 C ATOM 111 C ALA A 8 5.282 -4.506 -2.535 1.00 64.02 C ATOM 112 O ALA A 8 4.526 -3.619 -2.135 1.00 72.42 O ATOM 113 CB ALA A 8 6.791 -5.753 -0.959 1.00 73.21 C ATOM 0 H ALA A 8 6.353 -7.481 -2.616 1.00 2.44 H new ATOM 0 HA ALA A 8 4.637 -5.875 -1.029 1.00 10.10 H new ATOM 0 HB1 ALA A 8 6.806 -4.874 -0.315 1.00 73.21 H new ATOM 0 HB2 ALA A 8 6.890 -6.651 -0.349 1.00 73.21 H new ATOM 0 HB3 ALA A 8 7.620 -5.700 -1.664 1.00 73.21 H new ATOM 119 N LYS A 9 5.983 -4.430 -3.673 1.00 40.14 N ATOM 120 CA LYS A 9 5.996 -3.242 -4.546 1.00 3.30 C ATOM 121 C LYS A 9 4.623 -3.027 -5.221 1.00 3.12 C ATOM 122 O LYS A 9 4.085 -1.909 -5.219 1.00 32.11 O ATOM 123 CB LYS A 9 7.123 -3.394 -5.600 1.00 13.41 C ATOM 124 CG LYS A 9 7.322 -2.165 -6.513 1.00 41.55 C ATOM 125 CD LYS A 9 8.433 -2.383 -7.564 1.00 33.41 C ATOM 126 CE LYS A 9 8.593 -1.178 -8.505 1.00 21.34 C ATOM 127 NZ LYS A 9 9.563 -1.459 -9.608 1.00 14.30 N ATOM 0 H LYS A 9 6.562 -5.195 -4.019 1.00 40.14 H new ATOM 0 HA LYS A 9 6.193 -2.358 -3.940 1.00 3.30 H new ATOM 0 HB2 LYS A 9 8.060 -3.601 -5.083 1.00 13.41 H new ATOM 0 HB3 LYS A 9 6.904 -4.261 -6.223 1.00 13.41 H new ATOM 0 HG2 LYS A 9 6.385 -1.938 -7.021 1.00 41.55 H new ATOM 0 HG3 LYS A 9 7.570 -1.298 -5.901 1.00 41.55 H new ATOM 0 HD2 LYS A 9 9.379 -2.572 -7.056 1.00 33.41 H new ATOM 0 HD3 LYS A 9 8.204 -3.272 -8.152 1.00 33.41 H new ATOM 0 HE2 LYS A 9 7.624 -0.918 -8.931 1.00 21.34 H new ATOM 0 HE3 LYS A 9 8.932 -0.314 -7.934 1.00 21.34 H new ATOM 0 HZ1 LYS A 9 9.643 -0.623 -10.221 1.00 14.30 H new ATOM 0 HZ2 LYS A 9 10.494 -1.682 -9.203 1.00 14.30 H new ATOM 0 HZ3 LYS A 9 9.227 -2.268 -10.168 1.00 14.30 H new ATOM 141 N GLN A 10 4.060 -4.119 -5.772 1.00 4.22 N ATOM 142 CA GLN A 10 2.721 -4.118 -6.395 1.00 33.22 C ATOM 143 C GLN A 10 1.641 -3.803 -5.355 1.00 2.32 C ATOM 144 O GLN A 10 0.713 -3.037 -5.631 1.00 32.34 O ATOM 145 CB GLN A 10 2.411 -5.486 -7.080 1.00 30.13 C ATOM 146 CG GLN A 10 3.078 -5.698 -8.447 1.00 73.11 C ATOM 147 CD GLN A 10 2.679 -4.639 -9.475 1.00 32.21 C ATOM 148 OE1 GLN A 10 1.674 -4.778 -10.177 1.00 45.04 O ATOM 149 NE2 GLN A 10 3.466 -3.584 -9.579 1.00 53.41 N ATOM 0 H GLN A 10 4.521 -5.029 -5.798 1.00 4.22 H new ATOM 0 HA GLN A 10 2.717 -3.342 -7.160 1.00 33.22 H new ATOM 0 HB2 GLN A 10 2.725 -6.288 -6.412 1.00 30.13 H new ATOM 0 HB3 GLN A 10 1.332 -5.577 -7.202 1.00 30.13 H new ATOM 0 HG2 GLN A 10 4.161 -5.687 -8.323 1.00 73.11 H new ATOM 0 HG3 GLN A 10 2.811 -6.684 -8.827 1.00 73.11 H new ATOM 0 HE21 GLN A 10 4.289 -3.501 -8.983 1.00 53.41 H new ATOM 0 HE22 GLN A 10 3.251 -2.852 -10.256 1.00 53.41 H new ATOM 158 N ALA A 11 1.785 -4.398 -4.159 1.00 31.01 N ATOM 159 CA ALA A 11 0.831 -4.212 -3.065 1.00 63.34 C ATOM 160 C ALA A 11 0.800 -2.766 -2.600 1.00 51.41 C ATOM 161 O ALA A 11 -0.270 -2.222 -2.373 1.00 72.25 O ATOM 162 CB ALA A 11 1.163 -5.134 -1.897 1.00 35.31 C ATOM 0 H ALA A 11 2.563 -5.017 -3.929 1.00 31.01 H new ATOM 0 HA ALA A 11 -0.159 -4.468 -3.443 1.00 63.34 H new ATOM 0 HB1 ALA A 11 0.441 -4.979 -1.095 1.00 35.31 H new ATOM 0 HB2 ALA A 11 1.120 -6.171 -2.229 1.00 35.31 H new ATOM 0 HB3 ALA A 11 2.165 -4.911 -1.531 1.00 35.31 H new ATOM 168 N ALA A 12 1.990 -2.157 -2.490 1.00 3.35 N ATOM 169 CA ALA A 12 2.133 -0.760 -2.062 1.00 63.13 C ATOM 170 C ALA A 12 1.325 0.182 -2.966 1.00 1.11 C ATOM 171 O ALA A 12 0.458 0.925 -2.486 1.00 12.23 O ATOM 172 CB ALA A 12 3.607 -0.354 -2.038 1.00 53.43 C ATOM 0 H ALA A 12 2.876 -2.618 -2.695 1.00 3.35 H new ATOM 0 HA ALA A 12 1.735 -0.675 -1.051 1.00 63.13 H new ATOM 0 HB1 ALA A 12 3.693 0.685 -1.718 1.00 53.43 H new ATOM 0 HB2 ALA A 12 4.149 -0.994 -1.342 1.00 53.43 H new ATOM 0 HB3 ALA A 12 4.031 -0.463 -3.036 1.00 53.43 H new ATOM 178 N ILE A 13 1.577 0.073 -4.285 1.00 43.10 N ATOM 179 CA ILE A 13 0.912 0.894 -5.312 1.00 63.33 C ATOM 180 C ILE A 13 -0.615 0.637 -5.310 1.00 74.13 C ATOM 181 O ILE A 13 -1.403 1.581 -5.342 1.00 74.11 O ATOM 182 CB ILE A 13 1.523 0.605 -6.741 1.00 73.30 C ATOM 183 CG1 ILE A 13 3.068 0.884 -6.746 1.00 63.02 C ATOM 184 CG2 ILE A 13 0.807 1.428 -7.841 1.00 64.12 C ATOM 185 CD1 ILE A 13 3.777 0.548 -8.051 1.00 23.31 C ATOM 0 H ILE A 13 2.251 -0.590 -4.668 1.00 43.10 H new ATOM 0 HA ILE A 13 1.084 1.944 -5.074 1.00 63.33 H new ATOM 0 HB ILE A 13 1.363 -0.449 -6.967 1.00 73.30 H new ATOM 0 HG12 ILE A 13 3.233 1.938 -6.521 1.00 63.02 H new ATOM 0 HG13 ILE A 13 3.528 0.311 -5.941 1.00 63.02 H new ATOM 0 HG21 ILE A 13 1.252 1.205 -8.810 1.00 64.12 H new ATOM 0 HG22 ILE A 13 -0.251 1.168 -7.859 1.00 64.12 H new ATOM 0 HG23 ILE A 13 0.915 2.492 -7.628 1.00 64.12 H new ATOM 0 HD11 ILE A 13 4.839 0.775 -7.957 1.00 23.31 H new ATOM 0 HD12 ILE A 13 3.650 -0.512 -8.272 1.00 23.31 H new ATOM 0 HD13 ILE A 13 3.350 1.141 -8.860 1.00 23.31 H new ATOM 197 N ALA A 14 -1.003 -0.647 -5.215 1.00 54.13 N ATOM 198 CA ALA A 14 -2.420 -1.080 -5.249 1.00 14.04 C ATOM 199 C ALA A 14 -3.228 -0.543 -4.053 1.00 54.32 C ATOM 200 O ALA A 14 -4.406 -0.184 -4.191 1.00 72.13 O ATOM 201 CB ALA A 14 -2.498 -2.603 -5.286 1.00 21.03 C ATOM 0 H ALA A 14 -0.345 -1.419 -5.112 1.00 54.13 H new ATOM 0 HA ALA A 14 -2.864 -0.663 -6.153 1.00 14.04 H new ATOM 0 HB1 ALA A 14 -3.543 -2.913 -5.311 1.00 21.03 H new ATOM 0 HB2 ALA A 14 -1.989 -2.972 -6.176 1.00 21.03 H new ATOM 0 HB3 ALA A 14 -2.019 -3.014 -4.397 1.00 21.03 H new ATOM 207 N ILE A 15 -2.570 -0.503 -2.884 1.00 34.53 N ATOM 208 CA ILE A 15 -3.127 0.073 -1.649 1.00 70.11 C ATOM 209 C ILE A 15 -3.459 1.570 -1.866 1.00 71.53 C ATOM 210 O ILE A 15 -4.497 2.048 -1.411 1.00 54.01 O ATOM 211 CB ILE A 15 -2.125 -0.159 -0.433 1.00 71.14 C ATOM 212 CG1 ILE A 15 -2.156 -1.666 0.015 1.00 71.14 C ATOM 213 CG2 ILE A 15 -2.395 0.779 0.767 1.00 24.04 C ATOM 214 CD1 ILE A 15 -1.169 -2.039 1.112 1.00 53.34 C ATOM 0 H ILE A 15 -1.627 -0.873 -2.768 1.00 34.53 H new ATOM 0 HA ILE A 15 -4.059 -0.432 -1.396 1.00 70.11 H new ATOM 0 HB ILE A 15 -1.127 0.091 -0.793 1.00 71.14 H new ATOM 0 HG12 ILE A 15 -3.163 -1.905 0.358 1.00 71.14 H new ATOM 0 HG13 ILE A 15 -1.959 -2.291 -0.856 1.00 71.14 H new ATOM 0 HG21 ILE A 15 -1.678 0.570 1.561 1.00 24.04 H new ATOM 0 HG22 ILE A 15 -2.291 1.816 0.449 1.00 24.04 H new ATOM 0 HG23 ILE A 15 -3.406 0.613 1.138 1.00 24.04 H new ATOM 0 HD11 ILE A 15 -1.270 -3.098 1.348 1.00 53.34 H new ATOM 0 HD12 ILE A 15 -0.153 -1.839 0.771 1.00 53.34 H new ATOM 0 HD13 ILE A 15 -1.375 -1.447 2.004 1.00 53.34 H new ATOM 226 N PHE A 16 -2.598 2.273 -2.633 1.00 10.22 N ATOM 227 CA PHE A 16 -2.781 3.709 -2.954 1.00 10.14 C ATOM 228 C PHE A 16 -3.893 3.925 -3.995 1.00 32.23 C ATOM 229 O PHE A 16 -4.614 4.931 -3.938 1.00 71.11 O ATOM 230 CB PHE A 16 -1.460 4.327 -3.468 1.00 2.00 C ATOM 231 CG PHE A 16 -0.284 4.153 -2.516 1.00 12.00 C ATOM 232 CD1 PHE A 16 -0.455 4.248 -1.128 1.00 12.42 C ATOM 233 CD2 PHE A 16 0.998 3.908 -3.005 1.00 60.15 C ATOM 234 CE1 PHE A 16 0.616 4.100 -0.270 1.00 5.00 C ATOM 235 CE2 PHE A 16 2.064 3.760 -2.144 1.00 14.40 C ATOM 236 CZ PHE A 16 1.870 3.856 -0.780 1.00 43.30 C ATOM 0 H PHE A 16 -1.759 1.865 -3.046 1.00 10.22 H new ATOM 0 HA PHE A 16 -3.078 4.208 -2.031 1.00 10.14 H new ATOM 0 HB2 PHE A 16 -1.208 3.875 -4.427 1.00 2.00 H new ATOM 0 HB3 PHE A 16 -1.614 5.391 -3.648 1.00 2.00 H new ATOM 0 HD1 PHE A 16 -1.438 4.440 -0.724 1.00 12.42 H new ATOM 0 HD2 PHE A 16 1.158 3.833 -4.070 1.00 60.15 H new ATOM 0 HE1 PHE A 16 0.470 4.175 0.797 1.00 5.00 H new ATOM 0 HE2 PHE A 16 3.052 3.569 -2.536 1.00 14.40 H new ATOM 0 HZ PHE A 16 2.708 3.739 -0.109 1.00 43.30 H new ATOM 246 N GLN A 17 -4.016 2.977 -4.950 1.00 34.12 N ATOM 247 CA GLN A 17 -5.086 3.020 -5.975 1.00 71.31 C ATOM 248 C GLN A 17 -6.460 2.901 -5.290 1.00 13.54 C ATOM 249 O GLN A 17 -7.429 3.547 -5.704 1.00 62.53 O ATOM 250 CB GLN A 17 -4.920 1.896 -7.033 1.00 23.42 C ATOM 251 CG GLN A 17 -3.519 1.758 -7.673 1.00 12.20 C ATOM 252 CD GLN A 17 -3.003 2.965 -8.487 1.00 32.14 C ATOM 253 OE1 GLN A 17 -3.329 4.124 -8.232 1.00 12.00 O ATOM 254 NE2 GLN A 17 -2.167 2.692 -9.481 1.00 14.55 N ATOM 0 H GLN A 17 -3.391 2.175 -5.034 1.00 34.12 H new ATOM 0 HA GLN A 17 -5.013 3.974 -6.498 1.00 71.31 H new ATOM 0 HB2 GLN A 17 -5.178 0.946 -6.566 1.00 23.42 H new ATOM 0 HB3 GLN A 17 -5.645 2.066 -7.829 1.00 23.42 H new ATOM 0 HG2 GLN A 17 -2.801 1.552 -6.879 1.00 12.20 H new ATOM 0 HG3 GLN A 17 -3.529 0.886 -8.327 1.00 12.20 H new ATOM 0 HE21 GLN A 17 -1.908 1.725 -9.678 1.00 14.55 H new ATOM 0 HE22 GLN A 17 -1.784 3.449 -10.048 1.00 14.55 H new ATOM 263 N LEU A 18 -6.508 2.063 -4.230 1.00 44.32 N ATOM 264 CA LEU A 18 -7.686 1.922 -3.361 1.00 42.43 C ATOM 265 C LEU A 18 -7.873 3.177 -2.478 1.00 22.34 C ATOM 266 O LEU A 18 -8.987 3.656 -2.328 1.00 65.55 O ATOM 267 CB LEU A 18 -7.592 0.636 -2.478 1.00 72.03 C ATOM 268 CG LEU A 18 -7.637 -0.734 -3.236 1.00 33.01 C ATOM 269 CD1 LEU A 18 -7.539 -1.926 -2.254 1.00 60.10 C ATOM 270 CD2 LEU A 18 -8.895 -0.853 -4.127 1.00 74.11 C ATOM 0 H LEU A 18 -5.727 1.467 -3.957 1.00 44.32 H new ATOM 0 HA LEU A 18 -8.560 1.822 -4.005 1.00 42.43 H new ATOM 0 HB2 LEU A 18 -6.664 0.680 -1.907 1.00 72.03 H new ATOM 0 HB3 LEU A 18 -8.410 0.655 -1.758 1.00 72.03 H new ATOM 0 HG LEU A 18 -6.766 -0.767 -3.891 1.00 33.01 H new ATOM 0 HD11 LEU A 18 -7.573 -2.861 -2.813 1.00 60.10 H new ATOM 0 HD12 LEU A 18 -6.601 -1.867 -1.702 1.00 60.10 H new ATOM 0 HD13 LEU A 18 -8.374 -1.891 -1.554 1.00 60.10 H new ATOM 0 HD21 LEU A 18 -8.890 -1.817 -4.636 1.00 74.11 H new ATOM 0 HD22 LEU A 18 -9.788 -0.774 -3.508 1.00 74.11 H new ATOM 0 HD23 LEU A 18 -8.894 -0.052 -4.866 1.00 74.11 H new ATOM 282 N TRP A 19 -6.774 3.719 -1.928 1.00 44.42 N ATOM 283 CA TRP A 19 -6.815 4.864 -0.975 1.00 53.34 C ATOM 284 C TRP A 19 -7.474 6.125 -1.579 1.00 52.03 C ATOM 285 O TRP A 19 -8.159 6.879 -0.871 1.00 24.14 O ATOM 286 CB TRP A 19 -5.393 5.176 -0.425 1.00 42.21 C ATOM 287 CG TRP A 19 -4.952 4.350 0.763 1.00 2.44 C ATOM 288 CD1 TRP A 19 -5.588 3.271 1.333 1.00 41.23 C ATOM 289 CD2 TRP A 19 -3.772 4.576 1.543 1.00 35.31 C ATOM 290 NE1 TRP A 19 -4.865 2.819 2.410 1.00 72.31 N ATOM 291 CE2 TRP A 19 -3.748 3.604 2.557 1.00 1.02 C ATOM 292 CE3 TRP A 19 -2.727 5.508 1.472 1.00 62.33 C ATOM 293 CZ2 TRP A 19 -2.726 3.544 3.502 1.00 2.13 C ATOM 294 CZ3 TRP A 19 -1.717 5.445 2.408 1.00 74.02 C ATOM 295 CH2 TRP A 19 -1.719 4.467 3.407 1.00 3.40 C ATOM 0 H TRP A 19 -5.831 3.384 -2.124 1.00 44.42 H new ATOM 0 HA TRP A 19 -7.449 4.559 -0.142 1.00 53.34 H new ATOM 0 HB2 TRP A 19 -4.673 5.033 -1.231 1.00 42.21 H new ATOM 0 HB3 TRP A 19 -5.355 6.229 -0.146 1.00 42.21 H new ATOM 0 HD1 TRP A 19 -6.517 2.843 0.985 1.00 41.23 H new ATOM 0 HE1 TRP A 19 -5.117 2.029 3.004 1.00 72.31 H new ATOM 0 HE3 TRP A 19 -2.714 6.261 0.698 1.00 62.33 H new ATOM 0 HZ2 TRP A 19 -2.728 2.796 4.281 1.00 2.13 H new ATOM 0 HZ3 TRP A 19 -0.911 6.163 2.369 1.00 74.02 H new ATOM 0 HH2 TRP A 19 -0.908 4.439 4.120 1.00 3.40 H new ATOM 306 N LYS A 20 -7.269 6.337 -2.886 1.00 55.44 N ATOM 307 CA LYS A 20 -7.887 7.467 -3.618 1.00 43.10 C ATOM 308 C LYS A 20 -9.173 7.031 -4.353 1.00 13.13 C ATOM 309 O LYS A 20 -9.958 7.883 -4.775 1.00 74.43 O ATOM 310 CB LYS A 20 -6.870 8.072 -4.619 1.00 44.15 C ATOM 311 CG LYS A 20 -6.431 7.122 -5.758 1.00 70.13 C ATOM 312 CD LYS A 20 -5.375 7.773 -6.684 1.00 31.04 C ATOM 313 CE LYS A 20 -4.975 6.863 -7.856 1.00 41.31 C ATOM 314 NZ LYS A 20 -3.906 7.473 -8.700 1.00 32.22 N ATOM 0 H LYS A 20 -6.678 5.741 -3.466 1.00 55.44 H new ATOM 0 HA LYS A 20 -8.166 8.228 -2.889 1.00 43.10 H new ATOM 0 HB2 LYS A 20 -7.307 8.968 -5.061 1.00 44.15 H new ATOM 0 HB3 LYS A 20 -5.984 8.388 -4.068 1.00 44.15 H new ATOM 0 HG2 LYS A 20 -6.022 6.207 -5.329 1.00 70.13 H new ATOM 0 HG3 LYS A 20 -7.302 6.836 -6.347 1.00 70.13 H new ATOM 0 HD2 LYS A 20 -5.769 8.711 -7.075 1.00 31.04 H new ATOM 0 HD3 LYS A 20 -4.488 8.019 -6.101 1.00 31.04 H new ATOM 0 HE2 LYS A 20 -4.628 5.905 -7.469 1.00 41.31 H new ATOM 0 HE3 LYS A 20 -5.851 6.660 -8.472 1.00 41.31 H new ATOM 0 HZ1 LYS A 20 -3.667 6.826 -9.478 1.00 32.22 H new ATOM 0 HZ2 LYS A 20 -4.245 8.375 -9.091 1.00 32.22 H new ATOM 0 HZ3 LYS A 20 -3.060 7.644 -8.119 1.00 32.22 H new ATOM 328 N ASN A 21 -9.366 5.705 -4.516 1.00 74.45 N ATOM 329 CA ASN A 21 -10.510 5.131 -5.250 1.00 31.40 C ATOM 330 C ASN A 21 -10.733 3.663 -4.781 1.00 63.22 C ATOM 331 O ASN A 21 -10.216 2.726 -5.399 1.00 13.24 O ATOM 332 CB ASN A 21 -10.246 5.208 -6.792 1.00 74.31 C ATOM 333 CG ASN A 21 -11.413 4.700 -7.647 1.00 42.02 C ATOM 334 OD1 ASN A 21 -11.430 3.419 -7.938 1.00 23.54 O flip ATOM 335 ND2 ASN A 21 -12.298 5.460 -8.033 1.00 23.33 N flip ATOM 0 H ASN A 21 -8.730 5.002 -4.140 1.00 74.45 H new ATOM 0 HA ASN A 21 -11.415 5.701 -5.040 1.00 31.40 H new ATOM 0 HB2 ASN A 21 -10.033 6.242 -7.063 1.00 74.31 H new ATOM 0 HB3 ASN A 21 -9.355 4.626 -7.028 1.00 74.31 H new ATOM 0 HD21 ASN A 21 -12.260 6.451 -7.793 1.00 23.33 H new ATOM 0 HD22 ASN A 21 -13.070 5.100 -8.594 1.00 23.33 H new ATOM 342 N PRO A 22 -11.485 3.433 -3.643 1.00 70.40 N ATOM 343 CA PRO A 22 -11.691 2.066 -3.053 1.00 51.13 C ATOM 344 C PRO A 22 -12.427 1.080 -3.986 1.00 31.51 C ATOM 345 O PRO A 22 -12.422 -0.138 -3.750 1.00 35.23 O ATOM 346 CB PRO A 22 -12.507 2.354 -1.760 1.00 41.53 C ATOM 347 CG PRO A 22 -13.130 3.697 -1.981 1.00 41.33 C ATOM 348 CD PRO A 22 -12.149 4.478 -2.819 1.00 51.34 C ATOM 0 HA PRO A 22 -10.741 1.564 -2.871 1.00 51.13 H new ATOM 0 HB2 PRO A 22 -13.267 1.590 -1.595 1.00 41.53 H new ATOM 0 HB3 PRO A 22 -11.863 2.358 -0.881 1.00 41.53 H new ATOM 0 HG2 PRO A 22 -14.089 3.603 -2.490 1.00 41.33 H new ATOM 0 HG3 PRO A 22 -13.320 4.200 -1.033 1.00 41.33 H new ATOM 0 HD2 PRO A 22 -12.653 5.219 -3.440 1.00 51.34 H new ATOM 0 HD3 PRO A 22 -11.432 5.016 -2.200 1.00 51.34 H new ATOM 356 N THR A 23 -13.027 1.617 -5.053 1.00 54.21 N ATOM 357 CA THR A 23 -13.762 0.836 -6.052 1.00 25.11 C ATOM 358 C THR A 23 -12.850 0.349 -7.203 1.00 22.05 C ATOM 359 O THR A 23 -13.360 -0.164 -8.205 1.00 52.22 O ATOM 360 CB THR A 23 -14.926 1.709 -6.621 1.00 13.42 C ATOM 361 OG1 THR A 23 -14.393 2.952 -7.115 1.00 43.25 O ATOM 362 CG2 THR A 23 -16.001 2.004 -5.555 1.00 3.20 C ATOM 0 H THR A 23 -13.016 2.618 -5.249 1.00 54.21 H new ATOM 0 HA THR A 23 -14.158 -0.054 -5.563 1.00 25.11 H new ATOM 0 HB THR A 23 -15.399 1.148 -7.427 1.00 13.42 H new ATOM 0 HG1 THR A 23 -13.423 2.871 -7.227 1.00 43.25 H new ATOM 0 HG21 THR A 23 -16.791 2.613 -5.994 1.00 3.20 H new ATOM 0 HG22 THR A 23 -16.424 1.066 -5.195 1.00 3.20 H new ATOM 0 HG23 THR A 23 -15.549 2.541 -4.721 1.00 3.20 H new ATOM 370 N ASP A 24 -11.511 0.509 -7.061 1.00 53.41 N ATOM 371 CA ASP A 24 -10.533 0.141 -8.115 1.00 71.41 C ATOM 372 C ASP A 24 -10.478 -1.396 -8.274 1.00 45.31 C ATOM 373 O ASP A 24 -9.946 -2.078 -7.391 1.00 64.14 O ATOM 374 CB ASP A 24 -9.114 0.707 -7.787 1.00 52.23 C ATOM 375 CG ASP A 24 -8.138 0.640 -8.988 1.00 74.12 C ATOM 376 OD1 ASP A 24 -7.756 1.703 -9.528 1.00 3.21 O ATOM 377 OD2 ASP A 24 -7.748 -0.473 -9.404 1.00 65.04 O ATOM 0 H ASP A 24 -11.081 0.894 -6.220 1.00 53.41 H new ATOM 0 HA ASP A 24 -10.861 0.583 -9.056 1.00 71.41 H new ATOM 0 HB2 ASP A 24 -9.209 1.743 -7.462 1.00 52.23 H new ATOM 0 HB3 ASP A 24 -8.691 0.149 -6.952 1.00 52.23 H new ATOM 382 N PRO A 25 -10.996 -1.959 -9.417 1.00 31.42 N ATOM 383 CA PRO A 25 -11.152 -3.425 -9.585 1.00 50.11 C ATOM 384 C PRO A 25 -9.803 -4.168 -9.673 1.00 24.43 C ATOM 385 O PRO A 25 -9.652 -5.254 -9.109 1.00 44.05 O ATOM 386 CB PRO A 25 -11.968 -3.548 -10.904 1.00 61.13 C ATOM 387 CG PRO A 25 -11.659 -2.303 -11.673 1.00 74.32 C ATOM 388 CD PRO A 25 -11.468 -1.221 -10.632 1.00 62.20 C ATOM 0 HA PRO A 25 -11.644 -3.887 -8.729 1.00 50.11 H new ATOM 0 HB2 PRO A 25 -11.680 -4.438 -11.464 1.00 61.13 H new ATOM 0 HB3 PRO A 25 -13.036 -3.631 -10.700 1.00 61.13 H new ATOM 0 HG2 PRO A 25 -10.761 -2.428 -12.278 1.00 74.32 H new ATOM 0 HG3 PRO A 25 -12.471 -2.052 -12.356 1.00 74.32 H new ATOM 0 HD2 PRO A 25 -10.737 -0.480 -10.957 1.00 62.20 H new ATOM 0 HD3 PRO A 25 -12.398 -0.687 -10.437 1.00 62.20 H new ATOM 396 N GLU A 26 -8.822 -3.536 -10.346 1.00 73.31 N ATOM 397 CA GLU A 26 -7.499 -4.126 -10.611 1.00 30.04 C ATOM 398 C GLU A 26 -6.654 -4.223 -9.332 1.00 3.10 C ATOM 399 O GLU A 26 -5.991 -5.240 -9.094 1.00 33.14 O ATOM 400 CB GLU A 26 -6.742 -3.292 -11.678 1.00 33.24 C ATOM 401 CG GLU A 26 -7.423 -3.240 -13.057 1.00 11.34 C ATOM 402 CD GLU A 26 -6.578 -2.496 -14.105 1.00 31.52 C ATOM 403 OE1 GLU A 26 -5.629 -3.097 -14.654 1.00 14.11 O ATOM 404 OE2 GLU A 26 -6.853 -1.302 -14.372 1.00 70.45 O ATOM 0 H GLU A 26 -8.928 -2.594 -10.723 1.00 73.31 H new ATOM 0 HA GLU A 26 -7.660 -5.137 -10.986 1.00 30.04 H new ATOM 0 HB2 GLU A 26 -6.625 -2.274 -11.307 1.00 33.24 H new ATOM 0 HB3 GLU A 26 -5.740 -3.705 -11.798 1.00 33.24 H new ATOM 0 HG2 GLU A 26 -7.613 -4.256 -13.403 1.00 11.34 H new ATOM 0 HG3 GLU A 26 -8.392 -2.750 -12.962 1.00 11.34 H new ATOM 411 N ALA A 27 -6.691 -3.154 -8.524 1.00 12.23 N ATOM 412 CA ALA A 27 -5.856 -3.015 -7.321 1.00 4.23 C ATOM 413 C ALA A 27 -6.180 -4.094 -6.283 1.00 2.30 C ATOM 414 O ALA A 27 -5.295 -4.842 -5.853 1.00 54.21 O ATOM 415 CB ALA A 27 -6.038 -1.621 -6.721 1.00 63.31 C ATOM 0 H ALA A 27 -7.305 -2.356 -8.687 1.00 12.23 H new ATOM 0 HA ALA A 27 -4.814 -3.146 -7.614 1.00 4.23 H new ATOM 0 HB1 ALA A 27 -5.417 -1.524 -5.830 1.00 63.31 H new ATOM 0 HB2 ALA A 27 -5.743 -0.869 -7.452 1.00 63.31 H new ATOM 0 HB3 ALA A 27 -7.084 -1.475 -6.452 1.00 63.31 H new ATOM 421 N GLN A 28 -7.466 -4.175 -5.908 1.00 13.32 N ATOM 422 CA GLN A 28 -7.958 -5.179 -4.944 1.00 74.12 C ATOM 423 C GLN A 28 -7.769 -6.618 -5.475 1.00 71.15 C ATOM 424 O GLN A 28 -7.501 -7.532 -4.696 1.00 53.11 O ATOM 425 CB GLN A 28 -9.443 -4.903 -4.592 1.00 73.43 C ATOM 426 CG GLN A 28 -10.393 -4.852 -5.801 1.00 44.51 C ATOM 427 CD GLN A 28 -11.797 -4.339 -5.462 1.00 41.10 C ATOM 428 OE1 GLN A 28 -12.698 -5.114 -5.153 1.00 73.50 O ATOM 429 NE2 GLN A 28 -11.981 -3.025 -5.494 1.00 72.44 N ATOM 0 H GLN A 28 -8.192 -3.552 -6.260 1.00 13.32 H new ATOM 0 HA GLN A 28 -7.364 -5.093 -4.034 1.00 74.12 H new ATOM 0 HB2 GLN A 28 -9.790 -5.677 -3.908 1.00 73.43 H new ATOM 0 HB3 GLN A 28 -9.505 -3.955 -4.058 1.00 73.43 H new ATOM 0 HG2 GLN A 28 -9.957 -4.211 -6.567 1.00 44.51 H new ATOM 0 HG3 GLN A 28 -10.475 -5.851 -6.230 1.00 44.51 H new ATOM 0 HE21 GLN A 28 -11.211 -2.408 -5.755 1.00 72.44 H new ATOM 0 HE22 GLN A 28 -12.892 -2.632 -5.258 1.00 72.44 H new ATOM 438 N GLU A 29 -7.875 -6.792 -6.809 1.00 45.23 N ATOM 439 CA GLU A 29 -7.783 -8.117 -7.461 1.00 33.14 C ATOM 440 C GLU A 29 -6.367 -8.716 -7.361 1.00 12.30 C ATOM 441 O GLU A 29 -6.207 -9.895 -7.002 1.00 3.53 O ATOM 442 CB GLU A 29 -8.250 -8.040 -8.938 1.00 42.02 C ATOM 443 CG GLU A 29 -8.287 -9.397 -9.666 1.00 32.34 C ATOM 444 CD GLU A 29 -8.866 -9.303 -11.082 1.00 15.13 C ATOM 445 OE1 GLU A 29 -8.182 -8.762 -11.976 1.00 43.23 O ATOM 446 OE2 GLU A 29 -10.008 -9.771 -11.306 1.00 52.23 O ATOM 0 H GLU A 29 -8.026 -6.023 -7.462 1.00 45.23 H new ATOM 0 HA GLU A 29 -8.453 -8.788 -6.923 1.00 33.14 H new ATOM 0 HB2 GLU A 29 -9.246 -7.598 -8.969 1.00 42.02 H new ATOM 0 HB3 GLU A 29 -7.586 -7.368 -9.482 1.00 42.02 H new ATOM 0 HG2 GLU A 29 -7.276 -9.802 -9.719 1.00 32.34 H new ATOM 0 HG3 GLU A 29 -8.882 -10.100 -9.082 1.00 32.34 H new ATOM 453 N LEU A 30 -5.337 -7.899 -7.653 1.00 34.25 N ATOM 454 CA LEU A 30 -3.929 -8.359 -7.592 1.00 24.10 C ATOM 455 C LEU A 30 -3.505 -8.604 -6.127 1.00 44.22 C ATOM 456 O LEU A 30 -2.645 -9.446 -5.849 1.00 32.22 O ATOM 457 CB LEU A 30 -2.983 -7.372 -8.358 1.00 51.12 C ATOM 458 CG LEU A 30 -2.784 -5.916 -7.783 1.00 5.13 C ATOM 459 CD1 LEU A 30 -1.688 -5.859 -6.691 1.00 45.34 C ATOM 460 CD2 LEU A 30 -2.483 -4.886 -8.903 1.00 52.35 C ATOM 0 H LEU A 30 -5.448 -6.924 -7.932 1.00 34.25 H new ATOM 0 HA LEU A 30 -3.841 -9.317 -8.105 1.00 24.10 H new ATOM 0 HB2 LEU A 30 -2.000 -7.839 -8.423 1.00 51.12 H new ATOM 0 HB3 LEU A 30 -3.359 -7.277 -9.377 1.00 51.12 H new ATOM 0 HG LEU A 30 -3.732 -5.645 -7.318 1.00 5.13 H new ATOM 0 HD11 LEU A 30 -1.589 -4.836 -6.328 1.00 45.34 H new ATOM 0 HD12 LEU A 30 -1.964 -6.513 -5.864 1.00 45.34 H new ATOM 0 HD13 LEU A 30 -0.738 -6.188 -7.112 1.00 45.34 H new ATOM 0 HD21 LEU A 30 -2.353 -3.897 -8.463 1.00 52.35 H new ATOM 0 HD22 LEU A 30 -1.571 -5.173 -9.426 1.00 52.35 H new ATOM 0 HD23 LEU A 30 -3.313 -4.863 -9.609 1.00 52.35 H new ATOM 472 N LEU A 31 -4.161 -7.870 -5.197 1.00 1.21 N ATOM 473 CA LEU A 31 -3.963 -8.015 -3.737 1.00 31.15 C ATOM 474 C LEU A 31 -4.509 -9.353 -3.194 1.00 72.24 C ATOM 475 O LEU A 31 -4.152 -9.749 -2.091 1.00 51.14 O ATOM 476 CB LEU A 31 -4.602 -6.813 -2.977 1.00 54.21 C ATOM 477 CG LEU A 31 -3.835 -5.460 -3.066 1.00 14.41 C ATOM 478 CD1 LEU A 31 -4.609 -4.315 -2.378 1.00 3.20 C ATOM 479 CD2 LEU A 31 -2.428 -5.601 -2.476 1.00 70.02 C ATOM 0 H LEU A 31 -4.847 -7.156 -5.442 1.00 1.21 H new ATOM 0 HA LEU A 31 -2.887 -8.018 -3.561 1.00 31.15 H new ATOM 0 HB2 LEU A 31 -5.611 -6.661 -3.361 1.00 54.21 H new ATOM 0 HB3 LEU A 31 -4.699 -7.084 -1.926 1.00 54.21 H new ATOM 0 HG LEU A 31 -3.745 -5.200 -4.121 1.00 14.41 H new ATOM 0 HD11 LEU A 31 -4.040 -3.389 -2.462 1.00 3.20 H new ATOM 0 HD12 LEU A 31 -5.579 -4.190 -2.860 1.00 3.20 H new ATOM 0 HD13 LEU A 31 -4.755 -4.556 -1.325 1.00 3.20 H new ATOM 0 HD21 LEU A 31 -1.907 -4.646 -2.547 1.00 70.02 H new ATOM 0 HD22 LEU A 31 -2.500 -5.899 -1.430 1.00 70.02 H new ATOM 0 HD23 LEU A 31 -1.875 -6.358 -3.031 1.00 70.02 H new ATOM 491 N ASN A 32 -5.396 -10.024 -3.944 1.00 12.33 N ATOM 492 CA ASN A 32 -5.848 -11.402 -3.595 1.00 12.45 C ATOM 493 C ASN A 32 -4.739 -12.426 -3.899 1.00 73.04 C ATOM 494 O ASN A 32 -4.651 -13.469 -3.247 1.00 21.43 O ATOM 495 CB ASN A 32 -7.143 -11.805 -4.366 1.00 20.41 C ATOM 496 CG ASN A 32 -8.384 -11.028 -3.933 1.00 64.14 C ATOM 497 OD1 ASN A 32 -8.707 -9.972 -4.655 1.00 12.32 O flip ATOM 498 ND2 ASN A 32 -9.062 -11.392 -2.967 1.00 71.24 N flip ATOM 0 H ASN A 32 -5.819 -9.648 -4.793 1.00 12.33 H new ATOM 0 HA ASN A 32 -6.071 -11.403 -2.528 1.00 12.45 H new ATOM 0 HB2 ASN A 32 -6.983 -11.650 -5.433 1.00 20.41 H new ATOM 0 HB3 ASN A 32 -7.324 -12.870 -4.222 1.00 20.41 H new ATOM 0 HD21 ASN A 32 -8.784 -12.213 -2.430 1.00 71.24 H new ATOM 0 HD22 ASN A 32 -9.900 -10.871 -2.707 1.00 71.24 H new ATOM 505 N LYS A 33 -3.906 -12.105 -4.896 1.00 5.51 N ATOM 506 CA LYS A 33 -2.858 -13.006 -5.416 1.00 11.01 C ATOM 507 C LYS A 33 -1.589 -12.962 -4.547 1.00 72.01 C ATOM 508 O LYS A 33 -0.968 -14.000 -4.289 1.00 70.55 O ATOM 509 CB LYS A 33 -2.513 -12.604 -6.881 1.00 40.20 C ATOM 510 CG LYS A 33 -3.734 -12.591 -7.827 1.00 14.22 C ATOM 511 CD LYS A 33 -3.373 -12.163 -9.268 1.00 31.54 C ATOM 512 CE LYS A 33 -2.398 -13.125 -9.960 1.00 24.43 C ATOM 513 NZ LYS A 33 -2.966 -14.496 -10.141 1.00 24.43 N ATOM 0 H LYS A 33 -3.937 -11.204 -5.373 1.00 5.51 H new ATOM 0 HA LYS A 33 -3.241 -14.026 -5.389 1.00 11.01 H new ATOM 0 HB2 LYS A 33 -2.056 -11.614 -6.879 1.00 40.20 H new ATOM 0 HB3 LYS A 33 -1.769 -13.297 -7.273 1.00 40.20 H new ATOM 0 HG2 LYS A 33 -4.181 -13.585 -7.850 1.00 14.22 H new ATOM 0 HG3 LYS A 33 -4.488 -11.912 -7.430 1.00 14.22 H new ATOM 0 HD2 LYS A 33 -4.286 -12.095 -9.859 1.00 31.54 H new ATOM 0 HD3 LYS A 33 -2.933 -11.166 -9.244 1.00 31.54 H new ATOM 0 HE2 LYS A 33 -2.124 -12.719 -10.934 1.00 24.43 H new ATOM 0 HE3 LYS A 33 -1.482 -13.191 -9.373 1.00 24.43 H new ATOM 0 HZ1 LYS A 33 -2.285 -15.088 -10.658 1.00 24.43 H new ATOM 0 HZ2 LYS A 33 -3.156 -14.919 -9.210 1.00 24.43 H new ATOM 0 HZ3 LYS A 33 -3.853 -14.436 -10.681 1.00 24.43 H new ATOM 527 N ILE A 34 -1.195 -11.747 -4.128 1.00 22.02 N ATOM 528 CA ILE A 34 0.094 -11.514 -3.426 1.00 2.25 C ATOM 529 C ILE A 34 -0.095 -11.303 -1.904 1.00 2.15 C ATOM 530 O ILE A 34 0.789 -11.643 -1.102 1.00 1.51 O ATOM 531 CB ILE A 34 0.838 -10.283 -4.066 1.00 34.42 C ATOM 532 CG1 ILE A 34 -0.035 -8.989 -3.963 1.00 2.33 C ATOM 533 CG2 ILE A 34 1.222 -10.576 -5.539 1.00 54.24 C ATOM 534 CD1 ILE A 34 0.555 -7.756 -4.622 1.00 52.21 C ATOM 0 H ILE A 34 -1.750 -10.902 -4.261 1.00 22.02 H new ATOM 0 HA ILE A 34 0.702 -12.410 -3.549 1.00 2.25 H new ATOM 0 HB ILE A 34 1.757 -10.114 -3.505 1.00 34.42 H new ATOM 0 HG12 ILE A 34 -1.008 -9.190 -4.411 1.00 2.33 H new ATOM 0 HG13 ILE A 34 -0.208 -8.770 -2.909 1.00 2.33 H new ATOM 0 HG21 ILE A 34 1.735 -9.711 -5.960 1.00 54.24 H new ATOM 0 HG22 ILE A 34 1.881 -11.443 -5.578 1.00 54.24 H new ATOM 0 HG23 ILE A 34 0.320 -10.780 -6.116 1.00 54.24 H new ATOM 0 HD11 ILE A 34 -0.126 -6.914 -4.495 1.00 52.21 H new ATOM 0 HD12 ILE A 34 1.514 -7.520 -4.160 1.00 52.21 H new ATOM 0 HD13 ILE A 34 0.702 -7.947 -5.685 1.00 52.21 H new ATOM 546 N LEU A 35 -1.240 -10.719 -1.527 1.00 40.22 N ATOM 547 CA LEU A 35 -1.615 -10.458 -0.117 1.00 52.03 C ATOM 548 C LEU A 35 -2.814 -11.337 0.257 1.00 12.50 C ATOM 549 O LEU A 35 -3.291 -12.148 -0.553 1.00 53.30 O ATOM 550 CB LEU A 35 -1.934 -8.930 0.095 1.00 10.23 C ATOM 551 CG LEU A 35 -0.770 -8.045 0.663 1.00 72.33 C ATOM 552 CD1 LEU A 35 -0.492 -8.369 2.148 1.00 31.51 C ATOM 553 CD2 LEU A 35 0.518 -8.176 -0.183 1.00 64.34 C ATOM 0 H LEU A 35 -1.945 -10.408 -2.195 1.00 40.22 H new ATOM 0 HA LEU A 35 -0.780 -10.710 0.537 1.00 52.03 H new ATOM 0 HB2 LEU A 35 -2.246 -8.511 -0.861 1.00 10.23 H new ATOM 0 HB3 LEU A 35 -2.785 -8.850 0.771 1.00 10.23 H new ATOM 0 HG LEU A 35 -1.097 -7.007 0.600 1.00 72.33 H new ATOM 0 HD11 LEU A 35 0.320 -7.739 2.512 1.00 31.51 H new ATOM 0 HD12 LEU A 35 -1.390 -8.180 2.736 1.00 31.51 H new ATOM 0 HD13 LEU A 35 -0.209 -9.417 2.245 1.00 31.51 H new ATOM 0 HD21 LEU A 35 1.299 -7.547 0.244 1.00 64.34 H new ATOM 0 HD22 LEU A 35 0.848 -9.215 -0.184 1.00 64.34 H new ATOM 0 HD23 LEU A 35 0.315 -7.858 -1.206 1.00 64.34 H new ATOM 565 N SER A 36 -3.274 -11.197 1.506 1.00 15.24 N ATOM 566 CA SER A 36 -4.479 -11.886 1.984 1.00 52.32 C ATOM 567 C SER A 36 -5.738 -11.068 1.610 1.00 23.34 C ATOM 568 O SER A 36 -5.684 -9.833 1.633 1.00 73.42 O ATOM 569 CB SER A 36 -4.398 -12.103 3.509 1.00 32.22 C ATOM 570 OG SER A 36 -3.253 -12.863 3.847 1.00 45.21 O ATOM 0 H SER A 36 -2.826 -10.608 2.208 1.00 15.24 H new ATOM 0 HA SER A 36 -4.547 -12.862 1.504 1.00 52.32 H new ATOM 0 HB2 SER A 36 -4.364 -11.139 4.017 1.00 32.22 H new ATOM 0 HB3 SER A 36 -5.296 -12.615 3.857 1.00 32.22 H new ATOM 0 HG SER A 36 -3.219 -12.988 4.818 1.00 45.21 H new ATOM 576 N PRO A 37 -6.884 -11.738 1.243 1.00 64.53 N ATOM 577 CA PRO A 37 -8.204 -11.059 1.038 1.00 1.11 C ATOM 578 C PRO A 37 -8.615 -10.153 2.226 1.00 63.33 C ATOM 579 O PRO A 37 -9.272 -9.117 2.043 1.00 12.01 O ATOM 580 CB PRO A 37 -9.181 -12.248 0.859 1.00 75.12 C ATOM 581 CG PRO A 37 -8.328 -13.351 0.301 1.00 12.43 C ATOM 582 CD PRO A 37 -6.970 -13.195 0.951 1.00 71.01 C ATOM 0 HA PRO A 37 -8.188 -10.375 0.190 1.00 1.11 H new ATOM 0 HB2 PRO A 37 -9.634 -12.537 1.808 1.00 75.12 H new ATOM 0 HB3 PRO A 37 -9.996 -11.994 0.181 1.00 75.12 H new ATOM 0 HG2 PRO A 37 -8.758 -14.328 0.524 1.00 12.43 H new ATOM 0 HG3 PRO A 37 -8.253 -13.276 -0.784 1.00 12.43 H new ATOM 0 HD2 PRO A 37 -6.890 -13.791 1.860 1.00 71.01 H new ATOM 0 HD3 PRO A 37 -6.169 -13.518 0.287 1.00 71.01 H new ATOM 590 N ASP A 38 -8.200 -10.569 3.432 1.00 5.43 N ATOM 591 CA ASP A 38 -8.379 -9.801 4.679 1.00 41.35 C ATOM 592 C ASP A 38 -7.756 -8.389 4.580 1.00 44.11 C ATOM 593 O ASP A 38 -8.399 -7.387 4.920 1.00 23.53 O ATOM 594 CB ASP A 38 -7.732 -10.581 5.851 1.00 11.41 C ATOM 595 CG ASP A 38 -7.797 -9.828 7.190 1.00 25.10 C ATOM 596 OD1 ASP A 38 -6.838 -9.107 7.527 1.00 53.22 O ATOM 597 OD2 ASP A 38 -8.809 -9.963 7.907 1.00 21.34 O ATOM 0 H ASP A 38 -7.724 -11.460 3.573 1.00 5.43 H new ATOM 0 HA ASP A 38 -9.448 -9.675 4.852 1.00 41.35 H new ATOM 0 HB2 ASP A 38 -8.232 -11.543 5.958 1.00 11.41 H new ATOM 0 HB3 ASP A 38 -6.690 -10.789 5.609 1.00 11.41 H new ATOM 602 N VAL A 39 -6.508 -8.349 4.095 1.00 54.32 N ATOM 603 CA VAL A 39 -5.684 -7.135 4.055 1.00 71.33 C ATOM 604 C VAL A 39 -6.314 -6.064 3.153 1.00 41.44 C ATOM 605 O VAL A 39 -6.532 -4.929 3.591 1.00 61.11 O ATOM 606 CB VAL A 39 -4.217 -7.464 3.581 1.00 12.45 C ATOM 607 CG1 VAL A 39 -3.360 -6.186 3.421 1.00 71.05 C ATOM 608 CG2 VAL A 39 -3.548 -8.472 4.550 1.00 50.22 C ATOM 0 H VAL A 39 -6.037 -9.170 3.715 1.00 54.32 H new ATOM 0 HA VAL A 39 -5.636 -6.737 5.068 1.00 71.33 H new ATOM 0 HB VAL A 39 -4.283 -7.925 2.595 1.00 12.45 H new ATOM 0 HG11 VAL A 39 -2.357 -6.459 3.093 1.00 71.05 H new ATOM 0 HG12 VAL A 39 -3.818 -5.531 2.680 1.00 71.05 H new ATOM 0 HG13 VAL A 39 -3.300 -5.666 4.377 1.00 71.05 H new ATOM 0 HG21 VAL A 39 -2.536 -8.688 4.208 1.00 50.22 H new ATOM 0 HG22 VAL A 39 -3.509 -8.043 5.551 1.00 50.22 H new ATOM 0 HG23 VAL A 39 -4.128 -9.395 4.573 1.00 50.22 H new ATOM 618 N LEU A 40 -6.642 -6.449 1.910 1.00 62.10 N ATOM 619 CA LEU A 40 -7.190 -5.511 0.903 1.00 65.10 C ATOM 620 C LEU A 40 -8.546 -4.927 1.331 1.00 44.42 C ATOM 621 O LEU A 40 -8.898 -3.811 0.931 1.00 64.32 O ATOM 622 CB LEU A 40 -7.292 -6.198 -0.483 1.00 12.11 C ATOM 623 CG LEU A 40 -8.241 -7.447 -0.595 1.00 32.51 C ATOM 624 CD1 LEU A 40 -9.700 -7.077 -0.960 1.00 54.32 C ATOM 625 CD2 LEU A 40 -7.687 -8.484 -1.575 1.00 62.22 C ATOM 0 H LEU A 40 -6.539 -7.406 1.572 1.00 62.10 H new ATOM 0 HA LEU A 40 -6.496 -4.674 0.826 1.00 65.10 H new ATOM 0 HB2 LEU A 40 -7.626 -5.454 -1.206 1.00 12.11 H new ATOM 0 HB3 LEU A 40 -6.290 -6.506 -0.782 1.00 12.11 H new ATOM 0 HG LEU A 40 -8.270 -7.887 0.402 1.00 32.51 H new ATOM 0 HD11 LEU A 40 -10.301 -7.984 -1.021 1.00 54.32 H new ATOM 0 HD12 LEU A 40 -10.111 -6.420 -0.194 1.00 54.32 H new ATOM 0 HD13 LEU A 40 -9.716 -6.566 -1.923 1.00 54.32 H new ATOM 0 HD21 LEU A 40 -8.367 -9.334 -1.628 1.00 62.22 H new ATOM 0 HD22 LEU A 40 -7.589 -8.035 -2.563 1.00 62.22 H new ATOM 0 HD23 LEU A 40 -6.709 -8.823 -1.232 1.00 62.22 H new ATOM 637 N ASP A 41 -9.287 -5.709 2.143 1.00 25.33 N ATOM 638 CA ASP A 41 -10.613 -5.328 2.650 1.00 64.05 C ATOM 639 C ASP A 41 -10.493 -4.112 3.575 1.00 32.12 C ATOM 640 O ASP A 41 -11.059 -3.054 3.306 1.00 2.45 O ATOM 641 CB ASP A 41 -11.291 -6.513 3.401 1.00 41.33 C ATOM 642 CG ASP A 41 -12.703 -6.160 3.911 1.00 3.05 C ATOM 643 OD1 ASP A 41 -12.858 -5.787 5.096 1.00 40.53 O ATOM 644 OD2 ASP A 41 -13.665 -6.237 3.116 1.00 42.01 O ATOM 0 H ASP A 41 -8.977 -6.626 2.464 1.00 25.33 H new ATOM 0 HA ASP A 41 -11.241 -5.068 1.798 1.00 64.05 H new ATOM 0 HB2 ASP A 41 -11.354 -7.373 2.734 1.00 41.33 H new ATOM 0 HB3 ASP A 41 -10.667 -6.809 4.245 1.00 41.33 H new ATOM 649 N GLN A 42 -9.703 -4.263 4.644 1.00 40.10 N ATOM 650 CA GLN A 42 -9.502 -3.199 5.643 1.00 5.44 C ATOM 651 C GLN A 42 -8.689 -2.011 5.052 1.00 52.44 C ATOM 652 O GLN A 42 -8.766 -0.890 5.569 1.00 22.43 O ATOM 653 CB GLN A 42 -8.854 -3.791 6.922 1.00 13.13 C ATOM 654 CG GLN A 42 -7.506 -4.509 6.691 1.00 62.31 C ATOM 655 CD GLN A 42 -6.967 -5.258 7.916 1.00 23.22 C ATOM 656 OE1 GLN A 42 -6.214 -6.315 7.678 1.00 63.13 O flip ATOM 657 NE2 GLN A 42 -7.207 -4.878 9.065 1.00 72.04 N flip ATOM 0 H GLN A 42 -9.186 -5.120 4.843 1.00 40.10 H new ATOM 0 HA GLN A 42 -10.472 -2.788 5.925 1.00 5.44 H new ATOM 0 HB2 GLN A 42 -8.703 -2.986 7.642 1.00 13.13 H new ATOM 0 HB3 GLN A 42 -9.552 -4.496 7.374 1.00 13.13 H new ATOM 0 HG2 GLN A 42 -7.622 -5.217 5.870 1.00 62.31 H new ATOM 0 HG3 GLN A 42 -6.766 -3.773 6.376 1.00 62.31 H new ATOM 0 HE21 GLN A 42 -7.793 -4.057 9.219 1.00 72.04 H new ATOM 0 HE22 GLN A 42 -6.820 -5.385 9.861 1.00 72.04 H new ATOM 666 N VAL A 43 -7.930 -2.261 3.958 1.00 41.01 N ATOM 667 CA VAL A 43 -7.275 -1.187 3.175 1.00 32.13 C ATOM 668 C VAL A 43 -8.341 -0.323 2.465 1.00 21.30 C ATOM 669 O VAL A 43 -8.325 0.902 2.601 1.00 53.14 O ATOM 670 CB VAL A 43 -6.234 -1.757 2.123 1.00 42.22 C ATOM 671 CG1 VAL A 43 -5.836 -0.705 1.057 1.00 15.41 C ATOM 672 CG2 VAL A 43 -4.968 -2.304 2.829 1.00 53.41 C ATOM 0 H VAL A 43 -7.756 -3.199 3.598 1.00 41.01 H new ATOM 0 HA VAL A 43 -6.714 -0.568 3.876 1.00 32.13 H new ATOM 0 HB VAL A 43 -6.734 -2.577 1.607 1.00 42.22 H new ATOM 0 HG11 VAL A 43 -5.122 -1.145 0.361 1.00 15.41 H new ATOM 0 HG12 VAL A 43 -6.724 -0.385 0.512 1.00 15.41 H new ATOM 0 HG13 VAL A 43 -5.382 0.156 1.547 1.00 15.41 H new ATOM 0 HG21 VAL A 43 -4.273 -2.688 2.083 1.00 53.41 H new ATOM 0 HG22 VAL A 43 -4.490 -1.502 3.392 1.00 53.41 H new ATOM 0 HG23 VAL A 43 -5.250 -3.107 3.510 1.00 53.41 H new ATOM 682 N ARG A 44 -9.284 -0.972 1.737 1.00 41.25 N ATOM 683 CA ARG A 44 -10.319 -0.247 0.960 1.00 40.54 C ATOM 684 C ARG A 44 -11.363 0.423 1.882 1.00 21.11 C ATOM 685 O ARG A 44 -12.036 1.354 1.459 1.00 50.24 O ATOM 686 CB ARG A 44 -10.959 -1.144 -0.158 1.00 74.41 C ATOM 687 CG ARG A 44 -11.753 -2.401 0.296 1.00 44.14 C ATOM 688 CD ARG A 44 -13.213 -2.131 0.740 1.00 12.04 C ATOM 689 NE ARG A 44 -13.892 -3.360 1.201 1.00 40.35 N ATOM 690 CZ ARG A 44 -15.221 -3.494 1.357 1.00 21.11 C ATOM 691 NH1 ARG A 44 -16.053 -2.487 1.105 1.00 65.23 N ATOM 692 NH2 ARG A 44 -15.704 -4.646 1.779 1.00 21.32 N ATOM 0 H ARG A 44 -9.349 -1.988 1.672 1.00 41.25 H new ATOM 0 HA ARG A 44 -9.820 0.565 0.431 1.00 40.54 H new ATOM 0 HB2 ARG A 44 -11.629 -0.519 -0.748 1.00 74.41 H new ATOM 0 HB3 ARG A 44 -10.161 -1.473 -0.823 1.00 74.41 H new ATOM 0 HG2 ARG A 44 -11.766 -3.119 -0.524 1.00 44.14 H new ATOM 0 HG3 ARG A 44 -11.219 -2.870 1.122 1.00 44.14 H new ATOM 0 HD2 ARG A 44 -13.217 -1.393 1.542 1.00 12.04 H new ATOM 0 HD3 ARG A 44 -13.770 -1.700 -0.092 1.00 12.04 H new ATOM 0 HE ARG A 44 -13.308 -4.168 1.417 1.00 40.35 H new ATOM 0 HH11 ARG A 44 -15.686 -1.590 0.786 1.00 65.23 H new ATOM 0 HH12 ARG A 44 -17.058 -2.612 1.230 1.00 65.23 H new ATOM 0 HH21 ARG A 44 -15.072 -5.420 1.982 1.00 21.32 H new ATOM 0 HH22 ARG A 44 -16.710 -4.763 1.902 1.00 21.32 H new ATOM 706 N GLU A 45 -11.482 -0.059 3.134 1.00 53.34 N ATOM 707 CA GLU A 45 -12.346 0.573 4.155 1.00 24.23 C ATOM 708 C GLU A 45 -11.735 1.894 4.675 1.00 70.51 C ATOM 709 O GLU A 45 -12.414 2.930 4.717 1.00 34.23 O ATOM 710 CB GLU A 45 -12.606 -0.417 5.317 1.00 60.11 C ATOM 711 CG GLU A 45 -13.454 -1.645 4.934 1.00 64.23 C ATOM 712 CD GLU A 45 -14.922 -1.310 4.599 1.00 1.11 C ATOM 713 OE1 GLU A 45 -15.214 -0.916 3.453 1.00 62.21 O ATOM 714 OE2 GLU A 45 -15.793 -1.452 5.490 1.00 40.40 O ATOM 0 H GLU A 45 -10.989 -0.888 3.466 1.00 53.34 H new ATOM 0 HA GLU A 45 -13.299 0.822 3.689 1.00 24.23 H new ATOM 0 HB2 GLU A 45 -11.647 -0.760 5.706 1.00 60.11 H new ATOM 0 HB3 GLU A 45 -13.106 0.116 6.126 1.00 60.11 H new ATOM 0 HG2 GLU A 45 -12.998 -2.135 4.074 1.00 64.23 H new ATOM 0 HG3 GLU A 45 -13.433 -2.360 5.757 1.00 64.23 H new ATOM 721 N HIS A 46 -10.443 1.852 5.053 1.00 30.30 N ATOM 722 CA HIS A 46 -9.683 3.059 5.485 1.00 63.13 C ATOM 723 C HIS A 46 -9.464 4.029 4.306 1.00 22.21 C ATOM 724 O HIS A 46 -9.216 5.223 4.502 1.00 31.25 O ATOM 725 CB HIS A 46 -8.329 2.656 6.119 1.00 1.31 C ATOM 726 CG HIS A 46 -8.459 1.981 7.464 1.00 34.40 C ATOM 727 ND1 HIS A 46 -7.996 0.707 7.727 1.00 13.52 N ATOM 728 CD2 HIS A 46 -8.958 2.441 8.640 1.00 3.04 C ATOM 729 CE1 HIS A 46 -8.200 0.414 8.995 1.00 2.05 C ATOM 730 NE2 HIS A 46 -8.780 1.447 9.568 1.00 30.51 N ATOM 0 H HIS A 46 -9.894 0.993 5.071 1.00 30.30 H new ATOM 0 HA HIS A 46 -10.276 3.576 6.240 1.00 63.13 H new ATOM 0 HB2 HIS A 46 -7.805 1.987 5.437 1.00 1.31 H new ATOM 0 HB3 HIS A 46 -7.711 3.547 6.229 1.00 1.31 H new ATOM 0 HD1 HIS A 46 -7.562 0.087 7.043 1.00 13.52 H new ATOM 0 HD2 HIS A 46 -9.410 3.407 8.812 1.00 3.04 H new ATOM 0 HE1 HIS A 46 -7.937 -0.514 9.481 1.00 2.05 H new ATOM 739 N ALA A 47 -9.548 3.481 3.095 1.00 63.15 N ATOM 740 CA ALA A 47 -9.497 4.240 1.840 1.00 61.00 C ATOM 741 C ALA A 47 -10.699 5.179 1.692 1.00 40.01 C ATOM 742 O ALA A 47 -10.563 6.296 1.189 1.00 2.12 O ATOM 743 CB ALA A 47 -9.469 3.259 0.685 1.00 13.23 C ATOM 0 H ALA A 47 -9.656 2.477 2.953 1.00 63.15 H new ATOM 0 HA ALA A 47 -8.599 4.858 1.844 1.00 61.00 H new ATOM 0 HB1 ALA A 47 -9.431 3.807 -0.257 1.00 13.23 H new ATOM 0 HB2 ALA A 47 -8.589 2.622 0.770 1.00 13.23 H new ATOM 0 HB3 ALA A 47 -10.367 2.642 0.710 1.00 13.23 H new ATOM 749 N ARG A 48 -11.874 4.698 2.142 1.00 42.42 N ATOM 750 CA ARG A 48 -13.133 5.475 2.134 1.00 55.32 C ATOM 751 C ARG A 48 -13.009 6.713 3.037 1.00 70.43 C ATOM 752 O ARG A 48 -13.674 7.725 2.807 1.00 1.22 O ATOM 753 CB ARG A 48 -14.300 4.579 2.617 1.00 13.30 C ATOM 754 CG ARG A 48 -14.490 3.294 1.786 1.00 62.53 C ATOM 755 CD ARG A 48 -15.426 2.271 2.450 1.00 41.10 C ATOM 756 NE ARG A 48 -16.804 2.752 2.574 1.00 44.42 N ATOM 757 CZ ARG A 48 -17.855 1.998 2.956 1.00 53.13 C ATOM 758 NH1 ARG A 48 -17.707 0.702 3.289 1.00 33.41 N ATOM 759 NH2 ARG A 48 -19.054 2.557 3.030 1.00 61.32 N ATOM 0 H ARG A 48 -11.979 3.758 2.523 1.00 42.42 H new ATOM 0 HA ARG A 48 -13.333 5.811 1.117 1.00 55.32 H new ATOM 0 HB2 ARG A 48 -14.127 4.304 3.657 1.00 13.30 H new ATOM 0 HB3 ARG A 48 -15.224 5.157 2.589 1.00 13.30 H new ATOM 0 HG2 ARG A 48 -14.889 3.559 0.807 1.00 62.53 H new ATOM 0 HG3 ARG A 48 -13.517 2.831 1.619 1.00 62.53 H new ATOM 0 HD2 ARG A 48 -15.420 1.350 1.868 1.00 41.10 H new ATOM 0 HD3 ARG A 48 -15.042 2.025 3.440 1.00 41.10 H new ATOM 0 HE ARG A 48 -16.982 3.732 2.355 1.00 44.42 H new ATOM 0 HH11 ARG A 48 -16.784 0.269 3.256 1.00 33.41 H new ATOM 0 HH12 ARG A 48 -18.518 0.153 3.575 1.00 33.41 H new ATOM 0 HH21 ARG A 48 -19.172 3.544 2.800 1.00 61.32 H new ATOM 0 HH22 ARG A 48 -19.859 2.001 3.317 1.00 61.32 H new ATOM 773 N GLU A 49 -12.138 6.611 4.058 1.00 61.13 N ATOM 774 CA GLU A 49 -11.871 7.713 4.989 1.00 72.43 C ATOM 775 C GLU A 49 -11.093 8.836 4.277 1.00 25.41 C ATOM 776 O GLU A 49 -11.460 10.005 4.373 1.00 12.53 O ATOM 777 CB GLU A 49 -11.104 7.197 6.236 1.00 10.35 C ATOM 778 CG GLU A 49 -11.817 6.060 6.992 1.00 42.04 C ATOM 779 CD GLU A 49 -13.204 6.453 7.541 1.00 60.00 C ATOM 780 OE1 GLU A 49 -13.269 7.040 8.646 1.00 64.12 O ATOM 781 OE2 GLU A 49 -14.229 6.184 6.871 1.00 30.22 O ATOM 0 H GLU A 49 -11.604 5.765 4.257 1.00 61.13 H new ATOM 0 HA GLU A 49 -12.821 8.125 5.330 1.00 72.43 H new ATOM 0 HB2 GLU A 49 -10.119 6.849 5.924 1.00 10.35 H new ATOM 0 HB3 GLU A 49 -10.945 8.030 6.921 1.00 10.35 H new ATOM 0 HG2 GLU A 49 -11.929 5.206 6.324 1.00 42.04 H new ATOM 0 HG3 GLU A 49 -11.187 5.736 7.820 1.00 42.04 H new ATOM 788 N LEU A 50 -10.029 8.455 3.547 1.00 31.32 N ATOM 789 CA LEU A 50 -9.196 9.395 2.755 1.00 51.23 C ATOM 790 C LEU A 50 -9.997 10.012 1.593 1.00 1.44 C ATOM 791 O LEU A 50 -9.774 11.177 1.222 1.00 62.31 O ATOM 792 CB LEU A 50 -7.933 8.669 2.221 1.00 33.54 C ATOM 793 CG LEU A 50 -6.938 8.161 3.306 1.00 35.03 C ATOM 794 CD1 LEU A 50 -5.749 7.427 2.661 1.00 15.24 C ATOM 795 CD2 LEU A 50 -6.449 9.315 4.204 1.00 33.32 C ATOM 0 H LEU A 50 -9.717 7.486 3.486 1.00 31.32 H new ATOM 0 HA LEU A 50 -8.886 10.208 3.411 1.00 51.23 H new ATOM 0 HB2 LEU A 50 -8.252 7.818 1.620 1.00 33.54 H new ATOM 0 HB3 LEU A 50 -7.400 9.348 1.555 1.00 33.54 H new ATOM 0 HG LEU A 50 -7.473 7.452 3.938 1.00 35.03 H new ATOM 0 HD11 LEU A 50 -5.069 7.082 3.440 1.00 15.24 H new ATOM 0 HD12 LEU A 50 -6.114 6.571 2.093 1.00 15.24 H new ATOM 0 HD13 LEU A 50 -5.221 8.107 1.993 1.00 15.24 H new ATOM 0 HD21 LEU A 50 -5.756 8.927 4.951 1.00 33.32 H new ATOM 0 HD22 LEU A 50 -5.943 10.062 3.593 1.00 33.32 H new ATOM 0 HD23 LEU A 50 -7.302 9.773 4.704 1.00 33.32 H new ATOM 807 N GLN A 51 -10.925 9.213 1.045 1.00 25.50 N ATOM 808 CA GLN A 51 -11.869 9.643 -0.004 1.00 12.41 C ATOM 809 C GLN A 51 -12.782 10.763 0.544 1.00 71.32 C ATOM 810 O GLN A 51 -13.003 11.791 -0.109 1.00 11.35 O ATOM 811 CB GLN A 51 -12.727 8.424 -0.464 1.00 54.04 C ATOM 812 CG GLN A 51 -13.668 8.685 -1.659 1.00 74.52 C ATOM 813 CD GLN A 51 -12.921 8.942 -2.969 1.00 70.53 C ATOM 814 OE1 GLN A 51 -12.627 7.874 -3.693 1.00 74.41 O flip ATOM 815 NE2 GLN A 51 -12.608 10.082 -3.318 1.00 4.54 N flip ATOM 0 H GLN A 51 -11.044 8.238 1.319 1.00 25.50 H new ATOM 0 HA GLN A 51 -11.314 10.029 -0.859 1.00 12.41 H new ATOM 0 HB2 GLN A 51 -12.055 7.607 -0.726 1.00 54.04 H new ATOM 0 HB3 GLN A 51 -13.327 8.085 0.381 1.00 54.04 H new ATOM 0 HG2 GLN A 51 -14.329 7.827 -1.787 1.00 74.52 H new ATOM 0 HG3 GLN A 51 -14.300 9.544 -1.434 1.00 74.52 H new ATOM 0 HE21 GLN A 51 -12.853 10.880 -2.732 1.00 4.54 H new ATOM 0 HE22 GLN A 51 -12.104 10.227 -4.193 1.00 4.54 H new ATOM 824 N LYS A 52 -13.276 10.542 1.776 1.00 22.32 N ATOM 825 CA LYS A 52 -14.174 11.477 2.481 1.00 33.42 C ATOM 826 C LYS A 52 -13.422 12.760 2.899 1.00 4.22 C ATOM 827 O LYS A 52 -14.000 13.849 2.932 1.00 4.41 O ATOM 828 CB LYS A 52 -14.802 10.764 3.714 1.00 14.45 C ATOM 829 CG LYS A 52 -15.842 11.598 4.500 1.00 55.20 C ATOM 830 CD LYS A 52 -16.423 10.825 5.712 1.00 32.12 C ATOM 831 CE LYS A 52 -17.300 11.707 6.618 1.00 70.51 C ATOM 832 NZ LYS A 52 -18.466 12.302 5.901 1.00 75.12 N ATOM 0 H LYS A 52 -13.062 9.703 2.315 1.00 22.32 H new ATOM 0 HA LYS A 52 -14.974 11.779 1.805 1.00 33.42 H new ATOM 0 HB2 LYS A 52 -15.278 9.843 3.377 1.00 14.45 H new ATOM 0 HB3 LYS A 52 -14.000 10.478 4.395 1.00 14.45 H new ATOM 0 HG2 LYS A 52 -15.376 12.519 4.849 1.00 55.20 H new ATOM 0 HG3 LYS A 52 -16.654 11.885 3.832 1.00 55.20 H new ATOM 0 HD2 LYS A 52 -17.014 9.983 5.351 1.00 32.12 H new ATOM 0 HD3 LYS A 52 -15.604 10.411 6.299 1.00 32.12 H new ATOM 0 HE2 LYS A 52 -17.661 11.111 7.456 1.00 70.51 H new ATOM 0 HE3 LYS A 52 -16.690 12.508 7.036 1.00 70.51 H new ATOM 0 HZ1 LYS A 52 -19.019 12.885 6.561 1.00 75.12 H new ATOM 0 HZ2 LYS A 52 -18.126 12.895 5.117 1.00 75.12 H new ATOM 0 HZ3 LYS A 52 -19.067 11.541 5.524 1.00 75.12 H new ATOM 846 N GLN A 53 -12.118 12.611 3.191 1.00 63.45 N ATOM 847 CA GLN A 53 -11.227 13.739 3.544 1.00 0.40 C ATOM 848 C GLN A 53 -10.806 14.533 2.287 1.00 63.23 C ATOM 849 O GLN A 53 -10.292 15.653 2.405 1.00 53.13 O ATOM 850 CB GLN A 53 -9.979 13.208 4.300 1.00 35.22 C ATOM 851 CG GLN A 53 -10.288 12.604 5.679 1.00 24.00 C ATOM 852 CD GLN A 53 -9.072 11.969 6.359 1.00 75.54 C ATOM 853 OE1 GLN A 53 -8.862 10.681 6.147 1.00 74.14 O flip ATOM 854 NE2 GLN A 53 -8.326 12.634 7.068 1.00 44.12 N flip ATOM 0 H GLN A 53 -11.648 11.706 3.190 1.00 63.45 H new ATOM 0 HA GLN A 53 -11.774 14.420 4.196 1.00 0.40 H new ATOM 0 HB2 GLN A 53 -9.490 12.452 3.686 1.00 35.22 H new ATOM 0 HB3 GLN A 53 -9.269 14.025 4.425 1.00 35.22 H new ATOM 0 HG2 GLN A 53 -10.689 13.384 6.326 1.00 24.00 H new ATOM 0 HG3 GLN A 53 -11.067 11.850 5.569 1.00 24.00 H new ATOM 0 HE21 GLN A 53 -8.512 13.626 7.214 1.00 44.12 H new ATOM 0 HE22 GLN A 53 -7.519 12.195 7.512 1.00 44.12 H new ATOM 863 N GLY A 54 -11.013 13.927 1.097 1.00 45.01 N ATOM 864 CA GLY A 54 -10.722 14.574 -0.187 1.00 42.31 C ATOM 865 C GLY A 54 -9.233 14.808 -0.426 1.00 44.42 C ATOM 866 O GLY A 54 -8.844 15.769 -1.107 1.00 3.23 O ATOM 0 H GLY A 54 -11.384 12.981 1.007 1.00 45.01 H new ATOM 0 HA2 GLY A 54 -11.119 13.958 -0.994 1.00 42.31 H new ATOM 0 HA3 GLY A 54 -11.244 15.530 -0.230 1.00 42.31 H new ATOM 870 N ILE A 55 -8.396 13.923 0.143 1.00 31.54 N ATOM 871 CA ILE A 55 -6.936 14.021 0.032 1.00 55.15 C ATOM 872 C ILE A 55 -6.483 13.454 -1.323 1.00 33.14 C ATOM 873 O ILE A 55 -6.404 12.229 -1.504 1.00 63.31 O ATOM 874 CB ILE A 55 -6.203 13.273 1.216 1.00 74.53 C ATOM 875 CG1 ILE A 55 -6.696 13.822 2.588 1.00 61.05 C ATOM 876 CG2 ILE A 55 -4.665 13.413 1.092 1.00 13.20 C ATOM 877 CD1 ILE A 55 -6.107 13.136 3.810 1.00 2.15 C ATOM 0 H ILE A 55 -8.714 13.123 0.690 1.00 31.54 H new ATOM 0 HA ILE A 55 -6.662 15.074 0.098 1.00 55.15 H new ATOM 0 HB ILE A 55 -6.449 12.213 1.156 1.00 74.53 H new ATOM 0 HG12 ILE A 55 -6.463 14.885 2.641 1.00 61.05 H new ATOM 0 HG13 ILE A 55 -7.781 13.731 2.628 1.00 61.05 H new ATOM 0 HG21 ILE A 55 -4.184 12.890 1.918 1.00 13.20 H new ATOM 0 HG22 ILE A 55 -4.335 12.980 0.148 1.00 13.20 H new ATOM 0 HG23 ILE A 55 -4.392 14.468 1.123 1.00 13.20 H new ATOM 0 HD11 ILE A 55 -6.513 13.591 4.714 1.00 2.15 H new ATOM 0 HD12 ILE A 55 -6.362 12.076 3.791 1.00 2.15 H new ATOM 0 HD13 ILE A 55 -5.023 13.248 3.803 1.00 2.15 H new ATOM 889 N HIS A 56 -6.235 14.353 -2.289 1.00 3.13 N ATOM 890 CA HIS A 56 -5.642 13.976 -3.573 1.00 60.05 C ATOM 891 C HIS A 56 -4.131 13.868 -3.370 1.00 74.34 C ATOM 892 O HIS A 56 -3.464 14.878 -3.204 1.00 52.44 O ATOM 893 CB HIS A 56 -5.970 15.040 -4.663 1.00 23.32 C ATOM 894 CG HIS A 56 -5.363 14.763 -6.027 1.00 60.25 C ATOM 895 ND1 HIS A 56 -6.060 14.171 -7.061 1.00 45.52 N ATOM 896 CD2 HIS A 56 -4.115 15.000 -6.520 1.00 51.04 C ATOM 897 CE1 HIS A 56 -5.273 14.058 -8.117 1.00 11.34 C ATOM 898 NE2 HIS A 56 -4.092 14.551 -7.815 1.00 64.42 N ATOM 0 H HIS A 56 -6.438 15.349 -2.200 1.00 3.13 H new ATOM 0 HA HIS A 56 -6.050 13.024 -3.913 1.00 60.05 H new ATOM 0 HB2 HIS A 56 -7.053 15.108 -4.770 1.00 23.32 H new ATOM 0 HB3 HIS A 56 -5.622 16.013 -4.317 1.00 23.32 H new ATOM 0 HD2 HIS A 56 -3.294 15.458 -5.988 1.00 51.04 H new ATOM 0 HE1 HIS A 56 -5.553 13.632 -9.069 1.00 11.34 H new ATOM 0 HE2 HIS A 56 -3.289 14.593 -8.443 1.00 64.42 H new ATOM 907 N PHE A 57 -3.598 12.654 -3.407 1.00 44.02 N ATOM 908 CA PHE A 57 -2.150 12.415 -3.311 1.00 74.51 C ATOM 909 C PHE A 57 -1.651 11.895 -4.660 1.00 73.33 C ATOM 910 O PHE A 57 -2.453 11.436 -5.491 1.00 24.45 O ATOM 911 CB PHE A 57 -1.828 11.422 -2.158 1.00 33.11 C ATOM 912 CG PHE A 57 -2.627 10.117 -2.203 1.00 23.24 C ATOM 913 CD1 PHE A 57 -2.235 9.061 -3.029 1.00 73.22 C ATOM 914 CD2 PHE A 57 -3.774 9.951 -1.424 1.00 63.25 C ATOM 915 CE1 PHE A 57 -2.960 7.890 -3.077 1.00 3.24 C ATOM 916 CE2 PHE A 57 -4.496 8.775 -1.473 1.00 43.12 C ATOM 917 CZ PHE A 57 -4.085 7.748 -2.300 1.00 32.33 C ATOM 0 H PHE A 57 -4.151 11.802 -3.504 1.00 44.02 H new ATOM 0 HA PHE A 57 -1.635 13.346 -3.076 1.00 74.51 H new ATOM 0 HB2 PHE A 57 -0.765 11.184 -2.187 1.00 33.11 H new ATOM 0 HB3 PHE A 57 -2.018 11.917 -1.206 1.00 33.11 H new ATOM 0 HD1 PHE A 57 -1.350 9.164 -3.639 1.00 73.22 H new ATOM 0 HD2 PHE A 57 -4.100 10.751 -0.776 1.00 63.25 H new ATOM 0 HE1 PHE A 57 -2.645 7.085 -3.724 1.00 3.24 H new ATOM 0 HE2 PHE A 57 -5.381 8.658 -0.865 1.00 43.12 H new ATOM 0 HZ PHE A 57 -4.650 6.829 -2.336 1.00 32.33 H new ATOM 927 N GLU A 58 -0.335 11.958 -4.871 1.00 25.04 N ATOM 928 CA GLU A 58 0.296 11.467 -6.103 1.00 1.05 C ATOM 929 C GLU A 58 1.648 10.825 -5.773 1.00 0.33 C ATOM 930 O GLU A 58 2.464 11.432 -5.068 1.00 24.52 O ATOM 931 CB GLU A 58 0.475 12.629 -7.116 1.00 71.43 C ATOM 932 CG GLU A 58 0.978 12.187 -8.507 1.00 22.11 C ATOM 933 CD GLU A 58 1.117 13.346 -9.508 1.00 50.32 C ATOM 934 OE1 GLU A 58 0.076 13.908 -9.935 1.00 71.25 O ATOM 935 OE2 GLU A 58 2.260 13.684 -9.902 1.00 14.54 O ATOM 0 H GLU A 58 0.323 12.349 -4.197 1.00 25.04 H new ATOM 0 HA GLU A 58 -0.348 10.714 -6.558 1.00 1.05 H new ATOM 0 HB2 GLU A 58 -0.479 13.143 -7.234 1.00 71.43 H new ATOM 0 HB3 GLU A 58 1.177 13.352 -6.701 1.00 71.43 H new ATOM 0 HG2 GLU A 58 1.945 11.696 -8.395 1.00 22.11 H new ATOM 0 HG3 GLU A 58 0.290 11.446 -8.915 1.00 22.11 H new ATOM 942 N VAL A 59 1.865 9.601 -6.291 1.00 63.24 N ATOM 943 CA VAL A 59 3.118 8.862 -6.115 1.00 44.12 C ATOM 944 C VAL A 59 4.253 9.569 -6.880 1.00 62.32 C ATOM 945 O VAL A 59 4.078 9.990 -8.028 1.00 74.32 O ATOM 946 CB VAL A 59 2.980 7.372 -6.597 1.00 24.42 C ATOM 947 CG1 VAL A 59 4.308 6.607 -6.438 1.00 22.43 C ATOM 948 CG2 VAL A 59 1.835 6.650 -5.850 1.00 12.13 C ATOM 0 H VAL A 59 1.170 9.100 -6.844 1.00 63.24 H new ATOM 0 HA VAL A 59 3.355 8.844 -5.051 1.00 44.12 H new ATOM 0 HB VAL A 59 2.732 7.391 -7.658 1.00 24.42 H new ATOM 0 HG11 VAL A 59 4.179 5.580 -6.780 1.00 22.43 H new ATOM 0 HG12 VAL A 59 5.081 7.093 -7.032 1.00 22.43 H new ATOM 0 HG13 VAL A 59 4.604 6.606 -5.389 1.00 22.43 H new ATOM 0 HG21 VAL A 59 1.762 5.621 -6.203 1.00 12.13 H new ATOM 0 HG22 VAL A 59 2.040 6.653 -4.780 1.00 12.13 H new ATOM 0 HG23 VAL A 59 0.894 7.166 -6.040 1.00 12.13 H new ATOM 958 N LYS A 60 5.401 9.686 -6.213 1.00 74.43 N ATOM 959 CA LYS A 60 6.570 10.435 -6.691 1.00 65.13 C ATOM 960 C LYS A 60 7.768 9.491 -6.882 1.00 24.21 C ATOM 961 O LYS A 60 8.396 9.457 -7.944 1.00 14.45 O ATOM 962 CB LYS A 60 6.908 11.528 -5.645 1.00 71.22 C ATOM 963 CG LYS A 60 5.833 12.627 -5.483 1.00 3.32 C ATOM 964 CD LYS A 60 5.736 13.560 -6.710 1.00 64.01 C ATOM 965 CE LYS A 60 7.053 14.322 -6.971 1.00 12.13 C ATOM 966 NZ LYS A 60 7.522 15.076 -5.772 1.00 4.34 N ATOM 0 H LYS A 60 5.551 9.253 -5.302 1.00 74.43 H new ATOM 0 HA LYS A 60 6.349 10.896 -7.654 1.00 65.13 H new ATOM 0 HB2 LYS A 60 7.066 11.049 -4.679 1.00 71.22 H new ATOM 0 HB3 LYS A 60 7.850 12.000 -5.925 1.00 71.22 H new ATOM 0 HG2 LYS A 60 4.864 12.158 -5.312 1.00 3.32 H new ATOM 0 HG3 LYS A 60 6.059 13.222 -4.598 1.00 3.32 H new ATOM 0 HD2 LYS A 60 5.478 12.973 -7.591 1.00 64.01 H new ATOM 0 HD3 LYS A 60 4.929 14.276 -6.557 1.00 64.01 H new ATOM 0 HE2 LYS A 60 7.824 13.615 -7.276 1.00 12.13 H new ATOM 0 HE3 LYS A 60 6.910 15.015 -7.800 1.00 12.13 H new ATOM 0 HZ1 LYS A 60 8.330 15.676 -6.034 1.00 4.34 H new ATOM 0 HZ2 LYS A 60 6.749 15.672 -5.413 1.00 4.34 H new ATOM 0 HZ3 LYS A 60 7.814 14.405 -5.033 1.00 4.34 H new ATOM 980 N ARG A 61 8.061 8.724 -5.827 1.00 40.54 N ATOM 981 CA ARG A 61 9.245 7.860 -5.754 1.00 13.45 C ATOM 982 C ARG A 61 8.867 6.560 -5.042 1.00 45.43 C ATOM 983 O ARG A 61 8.363 6.613 -3.929 1.00 74.12 O ATOM 984 CB ARG A 61 10.365 8.612 -4.962 1.00 51.04 C ATOM 985 CG ARG A 61 11.694 7.845 -4.734 1.00 55.53 C ATOM 986 CD ARG A 61 12.550 7.673 -6.007 1.00 71.40 C ATOM 987 NE ARG A 61 11.971 6.723 -6.981 1.00 43.35 N ATOM 988 CZ ARG A 61 12.506 5.532 -7.320 1.00 33.30 C ATOM 989 NH1 ARG A 61 13.670 5.124 -6.802 1.00 74.34 N ATOM 990 NH2 ARG A 61 11.875 4.758 -8.193 1.00 32.05 N ATOM 0 H ARG A 61 7.478 8.685 -4.991 1.00 40.54 H new ATOM 0 HA ARG A 61 9.611 7.622 -6.753 1.00 13.45 H new ATOM 0 HB2 ARG A 61 10.593 9.537 -5.491 1.00 51.04 H new ATOM 0 HB3 ARG A 61 9.963 8.893 -3.988 1.00 51.04 H new ATOM 0 HG2 ARG A 61 12.281 8.373 -3.983 1.00 55.53 H new ATOM 0 HG3 ARG A 61 11.467 6.860 -4.326 1.00 55.53 H new ATOM 0 HD2 ARG A 61 12.673 8.644 -6.487 1.00 71.40 H new ATOM 0 HD3 ARG A 61 13.545 7.329 -5.723 1.00 71.40 H new ATOM 0 HE ARG A 61 11.096 6.990 -7.433 1.00 43.35 H new ATOM 0 HH11 ARG A 61 14.169 5.717 -6.139 1.00 74.34 H new ATOM 0 HH12 ARG A 61 14.059 4.220 -7.070 1.00 74.34 H new ATOM 0 HH21 ARG A 61 10.993 5.065 -8.602 1.00 32.05 H new ATOM 0 HH22 ARG A 61 12.272 3.856 -8.455 1.00 32.05 H new ATOM 1004 N VAL A 62 9.093 5.402 -5.694 1.00 75.24 N ATOM 1005 CA VAL A 62 8.838 4.072 -5.096 1.00 53.02 C ATOM 1006 C VAL A 62 10.170 3.344 -4.899 1.00 60.20 C ATOM 1007 O VAL A 62 10.843 2.998 -5.875 1.00 44.25 O ATOM 1008 CB VAL A 62 7.888 3.170 -5.984 1.00 74.35 C ATOM 1009 CG1 VAL A 62 7.579 1.814 -5.292 1.00 73.12 C ATOM 1010 CG2 VAL A 62 6.591 3.915 -6.332 1.00 75.24 C ATOM 0 H VAL A 62 9.456 5.360 -6.646 1.00 75.24 H new ATOM 0 HA VAL A 62 8.335 4.240 -4.144 1.00 53.02 H new ATOM 0 HB VAL A 62 8.416 2.953 -6.913 1.00 74.35 H new ATOM 0 HG11 VAL A 62 6.924 1.221 -5.930 1.00 73.12 H new ATOM 0 HG12 VAL A 62 8.509 1.272 -5.122 1.00 73.12 H new ATOM 0 HG13 VAL A 62 7.086 1.997 -4.337 1.00 73.12 H new ATOM 0 HG21 VAL A 62 5.956 3.274 -6.943 1.00 75.24 H new ATOM 0 HG22 VAL A 62 6.065 4.179 -5.414 1.00 75.24 H new ATOM 0 HG23 VAL A 62 6.830 4.822 -6.887 1.00 75.24 H new ATOM 1020 N GLU A 63 10.552 3.133 -3.637 1.00 13.33 N ATOM 1021 CA GLU A 63 11.728 2.334 -3.267 1.00 72.42 C ATOM 1022 C GLU A 63 11.250 1.157 -2.423 1.00 44.21 C ATOM 1023 O GLU A 63 10.283 1.289 -1.668 1.00 44.40 O ATOM 1024 CB GLU A 63 12.740 3.195 -2.472 1.00 64.52 C ATOM 1025 CG GLU A 63 13.268 4.415 -3.249 1.00 20.23 C ATOM 1026 CD GLU A 63 14.190 5.309 -2.412 1.00 65.11 C ATOM 1027 OE1 GLU A 63 15.430 5.197 -2.541 1.00 14.21 O ATOM 1028 OE2 GLU A 63 13.675 6.120 -1.611 1.00 31.22 O ATOM 0 H GLU A 63 10.051 3.514 -2.835 1.00 13.33 H new ATOM 0 HA GLU A 63 12.234 1.973 -4.163 1.00 72.42 H new ATOM 0 HB2 GLU A 63 12.266 3.539 -1.553 1.00 64.52 H new ATOM 0 HB3 GLU A 63 13.584 2.570 -2.180 1.00 64.52 H new ATOM 0 HG2 GLU A 63 13.809 4.070 -4.131 1.00 20.23 H new ATOM 0 HG3 GLU A 63 12.423 5.006 -3.604 1.00 20.23 H new ATOM 1035 N VAL A 64 11.924 0.019 -2.548 1.00 35.30 N ATOM 1036 CA VAL A 64 11.559 -1.205 -1.836 1.00 62.34 C ATOM 1037 C VAL A 64 12.840 -1.853 -1.255 1.00 31.31 C ATOM 1038 O VAL A 64 13.707 -2.337 -1.987 1.00 3.12 O ATOM 1039 CB VAL A 64 10.736 -2.168 -2.786 1.00 33.31 C ATOM 1040 CG1 VAL A 64 11.470 -2.487 -4.110 1.00 33.45 C ATOM 1041 CG2 VAL A 64 10.299 -3.447 -2.050 1.00 3.14 C ATOM 0 H VAL A 64 12.743 -0.083 -3.148 1.00 35.30 H new ATOM 0 HA VAL A 64 10.902 -0.981 -0.996 1.00 62.34 H new ATOM 0 HB VAL A 64 9.835 -1.624 -3.068 1.00 33.31 H new ATOM 0 HG11 VAL A 64 10.854 -3.151 -4.717 1.00 33.45 H new ATOM 0 HG12 VAL A 64 11.653 -1.562 -4.657 1.00 33.45 H new ATOM 0 HG13 VAL A 64 12.421 -2.973 -3.891 1.00 33.45 H new ATOM 0 HG21 VAL A 64 9.737 -4.085 -2.732 1.00 3.14 H new ATOM 0 HG22 VAL A 64 11.180 -3.982 -1.696 1.00 3.14 H new ATOM 0 HG23 VAL A 64 9.670 -3.181 -1.200 1.00 3.14 H new ATOM 1051 N THR A 65 12.968 -1.781 0.082 1.00 4.44 N ATOM 1052 CA THR A 65 14.132 -2.281 0.833 1.00 34.41 C ATOM 1053 C THR A 65 13.681 -3.385 1.795 1.00 4.31 C ATOM 1054 O THR A 65 12.746 -3.187 2.568 1.00 24.42 O ATOM 1055 CB THR A 65 14.808 -1.113 1.638 1.00 51.11 C ATOM 1056 OG1 THR A 65 15.319 -0.132 0.717 1.00 15.51 O ATOM 1057 CG2 THR A 65 15.954 -1.595 2.550 1.00 30.03 C ATOM 0 H THR A 65 12.253 -1.367 0.680 1.00 4.44 H new ATOM 0 HA THR A 65 14.861 -2.685 0.131 1.00 34.41 H new ATOM 0 HB THR A 65 14.041 -0.683 2.282 1.00 51.11 H new ATOM 0 HG1 THR A 65 15.740 0.598 1.217 1.00 15.51 H new ATOM 0 HG21 THR A 65 16.381 -0.743 3.079 1.00 30.03 H new ATOM 0 HG22 THR A 65 15.567 -2.314 3.272 1.00 30.03 H new ATOM 0 HG23 THR A 65 16.726 -2.070 1.944 1.00 30.03 H new ATOM 1065 N THR A 66 14.354 -4.537 1.739 1.00 41.53 N ATOM 1066 CA THR A 66 14.063 -5.680 2.615 1.00 3.12 C ATOM 1067 C THR A 66 14.874 -5.578 3.922 1.00 44.31 C ATOM 1068 O THR A 66 15.861 -4.832 3.997 1.00 60.10 O ATOM 1069 CB THR A 66 14.385 -7.019 1.886 1.00 32.22 C ATOM 1070 OG1 THR A 66 15.764 -7.038 1.478 1.00 64.01 O ATOM 1071 CG2 THR A 66 13.487 -7.221 0.651 1.00 12.24 C ATOM 0 H THR A 66 15.118 -4.706 1.085 1.00 41.53 H new ATOM 0 HA THR A 66 13.001 -5.663 2.862 1.00 3.12 H new ATOM 0 HB THR A 66 14.193 -7.831 2.587 1.00 32.22 H new ATOM 0 HG1 THR A 66 15.959 -7.883 1.022 1.00 64.01 H new ATOM 0 HG21 THR A 66 13.740 -8.165 0.168 1.00 12.24 H new ATOM 0 HG22 THR A 66 12.442 -7.240 0.960 1.00 12.24 H new ATOM 0 HG23 THR A 66 13.643 -6.401 -0.050 1.00 12.24 H new ATOM 1079 N ASP A 67 14.441 -6.338 4.934 1.00 64.33 N ATOM 1080 CA ASP A 67 15.038 -6.348 6.279 1.00 22.02 C ATOM 1081 C ASP A 67 14.612 -7.651 6.986 1.00 55.53 C ATOM 1082 O ASP A 67 13.531 -7.717 7.590 1.00 63.01 O ATOM 1083 CB ASP A 67 14.589 -5.087 7.084 1.00 35.20 C ATOM 1084 CG ASP A 67 15.284 -4.942 8.453 1.00 55.14 C ATOM 1085 OD1 ASP A 67 14.660 -5.240 9.496 1.00 5.22 O ATOM 1086 OD2 ASP A 67 16.472 -4.535 8.487 1.00 31.24 O ATOM 0 H ASP A 67 13.651 -6.976 4.842 1.00 64.33 H new ATOM 0 HA ASP A 67 16.125 -6.314 6.212 1.00 22.02 H new ATOM 0 HB2 ASP A 67 14.791 -4.197 6.489 1.00 35.20 H new ATOM 0 HB3 ASP A 67 13.511 -5.130 7.237 1.00 35.20 H new ATOM 1091 N GLY A 68 15.449 -8.692 6.855 1.00 32.32 N ATOM 1092 CA GLY A 68 15.120 -10.037 7.337 1.00 70.25 C ATOM 1093 C GLY A 68 14.019 -10.687 6.500 1.00 62.13 C ATOM 1094 O GLY A 68 14.188 -10.846 5.288 1.00 3.02 O ATOM 0 H GLY A 68 16.366 -8.623 6.415 1.00 32.32 H new ATOM 0 HA2 GLY A 68 16.013 -10.661 7.310 1.00 70.25 H new ATOM 0 HA3 GLY A 68 14.801 -9.982 8.378 1.00 70.25 H new ATOM 1098 N ASN A 69 12.892 -11.055 7.143 1.00 4.31 N ATOM 1099 CA ASN A 69 11.699 -11.595 6.444 1.00 71.40 C ATOM 1100 C ASN A 69 10.710 -10.468 6.074 1.00 14.54 C ATOM 1101 O ASN A 69 9.761 -10.685 5.319 1.00 2.41 O ATOM 1102 CB ASN A 69 10.990 -12.685 7.310 1.00 42.34 C ATOM 1103 CG ASN A 69 10.586 -12.232 8.723 1.00 74.21 C ATOM 1104 OD1 ASN A 69 10.359 -11.050 8.993 1.00 14.52 O ATOM 1105 ND2 ASN A 69 10.468 -13.179 9.634 1.00 31.33 N ATOM 0 H ASN A 69 12.779 -10.988 8.155 1.00 4.31 H new ATOM 0 HA ASN A 69 12.041 -12.061 5.520 1.00 71.40 H new ATOM 0 HB2 ASN A 69 10.097 -13.021 6.784 1.00 42.34 H new ATOM 0 HB3 ASN A 69 11.652 -13.546 7.397 1.00 42.34 H new ATOM 0 HD21 ASN A 69 10.184 -12.940 10.584 1.00 31.33 H new ATOM 0 HD22 ASN A 69 10.661 -14.150 9.388 1.00 31.33 H new ATOM 1112 N THR A 70 10.943 -9.270 6.612 1.00 30.01 N ATOM 1113 CA THR A 70 10.048 -8.118 6.447 1.00 61.13 C ATOM 1114 C THR A 70 10.603 -7.148 5.388 1.00 31.55 C ATOM 1115 O THR A 70 11.801 -6.912 5.329 1.00 41.21 O ATOM 1116 CB THR A 70 9.882 -7.392 7.812 1.00 51.05 C ATOM 1117 OG1 THR A 70 9.436 -8.335 8.801 1.00 32.31 O ATOM 1118 CG2 THR A 70 8.877 -6.245 7.728 1.00 72.41 C ATOM 0 H THR A 70 11.765 -9.068 7.180 1.00 30.01 H new ATOM 0 HA THR A 70 9.074 -8.470 6.106 1.00 61.13 H new ATOM 0 HB THR A 70 10.850 -6.974 8.087 1.00 51.05 H new ATOM 0 HG1 THR A 70 9.969 -9.155 8.735 1.00 32.31 H new ATOM 0 HG21 THR A 70 8.791 -5.765 8.703 1.00 72.41 H new ATOM 0 HG22 THR A 70 9.218 -5.516 6.993 1.00 72.41 H new ATOM 0 HG23 THR A 70 7.904 -6.635 7.428 1.00 72.41 H new ATOM 1126 N VAL A 71 9.716 -6.586 4.560 1.00 20.24 N ATOM 1127 CA VAL A 71 10.091 -5.664 3.477 1.00 65.54 C ATOM 1128 C VAL A 71 9.375 -4.306 3.662 1.00 33.42 C ATOM 1129 O VAL A 71 8.146 -4.216 3.637 1.00 53.11 O ATOM 1130 CB VAL A 71 9.785 -6.305 2.077 1.00 0.43 C ATOM 1131 CG1 VAL A 71 8.357 -6.849 1.974 1.00 70.13 C ATOM 1132 CG2 VAL A 71 10.118 -5.338 0.919 1.00 40.21 C ATOM 0 H VAL A 71 8.712 -6.757 4.621 1.00 20.24 H new ATOM 0 HA VAL A 71 11.164 -5.480 3.519 1.00 65.54 H new ATOM 0 HB VAL A 71 10.447 -7.166 1.982 1.00 0.43 H new ATOM 0 HG11 VAL A 71 8.202 -7.280 0.985 1.00 70.13 H new ATOM 0 HG12 VAL A 71 8.205 -7.617 2.732 1.00 70.13 H new ATOM 0 HG13 VAL A 71 7.646 -6.038 2.131 1.00 70.13 H new ATOM 0 HG21 VAL A 71 9.892 -5.819 -0.033 1.00 40.21 H new ATOM 0 HG22 VAL A 71 9.520 -4.432 1.018 1.00 40.21 H new ATOM 0 HG23 VAL A 71 11.177 -5.080 0.953 1.00 40.21 H new ATOM 1142 N ASN A 72 10.176 -3.262 3.872 1.00 45.24 N ATOM 1143 CA ASN A 72 9.709 -1.883 4.073 1.00 53.03 C ATOM 1144 C ASN A 72 9.770 -1.130 2.735 1.00 24.54 C ATOM 1145 O ASN A 72 10.863 -0.826 2.234 1.00 62.31 O ATOM 1146 CB ASN A 72 10.600 -1.177 5.129 1.00 0.32 C ATOM 1147 CG ASN A 72 10.513 -1.832 6.510 1.00 73.23 C ATOM 1148 OD1 ASN A 72 9.710 -1.428 7.347 1.00 73.10 O ATOM 1149 ND2 ASN A 72 11.327 -2.859 6.749 1.00 4.40 N ATOM 0 H ASN A 72 11.192 -3.349 3.909 1.00 45.24 H new ATOM 0 HA ASN A 72 8.681 -1.891 4.434 1.00 53.03 H new ATOM 0 HB2 ASN A 72 11.636 -1.189 4.790 1.00 0.32 H new ATOM 0 HB3 ASN A 72 10.303 -0.131 5.208 1.00 0.32 H new ATOM 0 HD21 ASN A 72 11.295 -3.336 7.650 1.00 4.40 H new ATOM 0 HD22 ASN A 72 11.982 -3.168 6.031 1.00 4.40 H new ATOM 1156 N VAL A 73 8.592 -0.854 2.154 1.00 60.51 N ATOM 1157 CA VAL A 73 8.478 -0.084 0.903 1.00 51.12 C ATOM 1158 C VAL A 73 8.388 1.408 1.251 1.00 23.32 C ATOM 1159 O VAL A 73 7.372 1.875 1.772 1.00 63.32 O ATOM 1160 CB VAL A 73 7.230 -0.529 0.044 1.00 75.21 C ATOM 1161 CG1 VAL A 73 7.136 0.274 -1.279 1.00 21.10 C ATOM 1162 CG2 VAL A 73 7.287 -2.045 -0.229 1.00 12.53 C ATOM 0 H VAL A 73 7.695 -1.156 2.535 1.00 60.51 H new ATOM 0 HA VAL A 73 9.361 -0.276 0.294 1.00 51.12 H new ATOM 0 HB VAL A 73 6.328 -0.313 0.616 1.00 75.21 H new ATOM 0 HG11 VAL A 73 6.266 -0.058 -1.845 1.00 21.10 H new ATOM 0 HG12 VAL A 73 7.039 1.336 -1.054 1.00 21.10 H new ATOM 0 HG13 VAL A 73 8.037 0.109 -1.869 1.00 21.10 H new ATOM 0 HG21 VAL A 73 6.422 -2.341 -0.822 1.00 12.53 H new ATOM 0 HG22 VAL A 73 8.200 -2.282 -0.776 1.00 12.53 H new ATOM 0 HG23 VAL A 73 7.280 -2.586 0.717 1.00 12.53 H new ATOM 1172 N THR A 74 9.480 2.133 0.983 1.00 53.24 N ATOM 1173 CA THR A 74 9.609 3.552 1.300 1.00 54.43 C ATOM 1174 C THR A 74 9.242 4.356 0.038 1.00 13.31 C ATOM 1175 O THR A 74 10.006 4.403 -0.929 1.00 13.21 O ATOM 1176 CB THR A 74 11.074 3.846 1.761 1.00 3.32 C ATOM 1177 OG1 THR A 74 11.455 2.881 2.770 1.00 11.52 O ATOM 1178 CG2 THR A 74 11.242 5.265 2.334 1.00 21.43 C ATOM 0 H THR A 74 10.308 1.741 0.534 1.00 53.24 H new ATOM 0 HA THR A 74 8.941 3.839 2.112 1.00 54.43 H new ATOM 0 HB THR A 74 11.714 3.770 0.882 1.00 3.32 H new ATOM 0 HG1 THR A 74 12.373 3.059 3.062 1.00 11.52 H new ATOM 0 HG21 THR A 74 12.278 5.414 2.638 1.00 21.43 H new ATOM 0 HG22 THR A 74 10.978 5.999 1.572 1.00 21.43 H new ATOM 0 HG23 THR A 74 10.589 5.388 3.198 1.00 21.43 H new ATOM 1186 N VAL A 75 8.048 4.958 0.049 1.00 74.41 N ATOM 1187 CA VAL A 75 7.449 5.597 -1.134 1.00 11.22 C ATOM 1188 C VAL A 75 6.892 6.987 -0.771 1.00 13.15 C ATOM 1189 O VAL A 75 6.110 7.123 0.167 1.00 21.41 O ATOM 1190 CB VAL A 75 6.332 4.666 -1.759 1.00 13.43 C ATOM 1191 CG1 VAL A 75 5.379 4.115 -0.683 1.00 2.10 C ATOM 1192 CG2 VAL A 75 5.556 5.366 -2.901 1.00 75.43 C ATOM 0 H VAL A 75 7.464 5.017 0.883 1.00 74.41 H new ATOM 0 HA VAL A 75 8.223 5.738 -1.889 1.00 11.22 H new ATOM 0 HB VAL A 75 6.849 3.815 -2.203 1.00 13.43 H new ATOM 0 HG11 VAL A 75 4.627 3.481 -1.153 1.00 2.10 H new ATOM 0 HG12 VAL A 75 5.947 3.530 0.040 1.00 2.10 H new ATOM 0 HG13 VAL A 75 4.887 4.944 -0.173 1.00 2.10 H new ATOM 0 HG21 VAL A 75 4.801 4.687 -3.297 1.00 75.43 H new ATOM 0 HG22 VAL A 75 5.071 6.263 -2.515 1.00 75.43 H new ATOM 0 HG23 VAL A 75 6.249 5.642 -3.696 1.00 75.43 H new ATOM 1202 N GLU A 76 7.334 8.023 -1.514 1.00 42.53 N ATOM 1203 CA GLU A 76 6.878 9.406 -1.320 1.00 21.01 C ATOM 1204 C GLU A 76 5.583 9.650 -2.111 1.00 73.23 C ATOM 1205 O GLU A 76 5.533 9.409 -3.320 1.00 34.10 O ATOM 1206 CB GLU A 76 7.966 10.418 -1.777 1.00 33.43 C ATOM 1207 CG GLU A 76 7.593 11.902 -1.533 1.00 41.34 C ATOM 1208 CD GLU A 76 8.528 12.901 -2.234 1.00 53.43 C ATOM 1209 OE1 GLU A 76 8.081 13.623 -3.158 1.00 73.40 O ATOM 1210 OE2 GLU A 76 9.719 12.957 -1.879 1.00 61.35 O ATOM 0 H GLU A 76 8.017 7.919 -2.264 1.00 42.53 H new ATOM 0 HA GLU A 76 6.689 9.555 -0.257 1.00 21.01 H new ATOM 0 HB2 GLU A 76 8.895 10.197 -1.252 1.00 33.43 H new ATOM 0 HB3 GLU A 76 8.158 10.273 -2.840 1.00 33.43 H new ATOM 0 HG2 GLU A 76 6.573 12.071 -1.877 1.00 41.34 H new ATOM 0 HG3 GLU A 76 7.605 12.098 -0.461 1.00 41.34 H new ATOM 1217 N LEU A 77 4.536 10.083 -1.403 1.00 42.54 N ATOM 1218 CA LEU A 77 3.294 10.582 -1.997 1.00 22.13 C ATOM 1219 C LEU A 77 3.022 11.984 -1.437 1.00 44.31 C ATOM 1220 O LEU A 77 2.918 12.156 -0.217 1.00 31.25 O ATOM 1221 CB LEU A 77 2.087 9.658 -1.690 1.00 22.34 C ATOM 1222 CG LEU A 77 2.226 8.150 -2.095 1.00 64.32 C ATOM 1223 CD1 LEU A 77 2.993 7.344 -1.036 1.00 42.42 C ATOM 1224 CD2 LEU A 77 0.847 7.534 -2.361 1.00 30.25 C ATOM 0 H LEU A 77 4.528 10.097 -0.383 1.00 42.54 H new ATOM 0 HA LEU A 77 3.414 10.607 -3.080 1.00 22.13 H new ATOM 0 HB2 LEU A 77 1.888 9.705 -0.619 1.00 22.34 H new ATOM 0 HB3 LEU A 77 1.211 10.065 -2.195 1.00 22.34 H new ATOM 0 HG LEU A 77 2.807 8.108 -3.016 1.00 64.32 H new ATOM 0 HD11 LEU A 77 3.068 6.304 -1.354 1.00 42.42 H new ATOM 0 HD12 LEU A 77 3.993 7.760 -0.916 1.00 42.42 H new ATOM 0 HD13 LEU A 77 2.463 7.395 -0.085 1.00 42.42 H new ATOM 0 HD21 LEU A 77 0.964 6.487 -2.641 1.00 30.25 H new ATOM 0 HD22 LEU A 77 0.238 7.603 -1.460 1.00 30.25 H new ATOM 0 HD23 LEU A 77 0.358 8.074 -3.172 1.00 30.25 H new ATOM 1236 N GLU A 78 2.905 12.984 -2.320 1.00 55.53 N ATOM 1237 CA GLU A 78 2.623 14.362 -1.898 1.00 45.10 C ATOM 1238 C GLU A 78 1.100 14.587 -1.836 1.00 15.34 C ATOM 1239 O GLU A 78 0.391 14.462 -2.841 1.00 21.54 O ATOM 1240 CB GLU A 78 3.335 15.393 -2.812 1.00 54.24 C ATOM 1241 CG GLU A 78 2.978 15.323 -4.303 1.00 12.54 C ATOM 1242 CD GLU A 78 3.703 16.381 -5.147 1.00 15.20 C ATOM 1243 OE1 GLU A 78 3.037 17.192 -5.824 1.00 53.22 O ATOM 1244 OE2 GLU A 78 4.951 16.406 -5.137 1.00 2.42 O ATOM 0 H GLU A 78 3.001 12.865 -3.328 1.00 55.53 H new ATOM 0 HA GLU A 78 3.027 14.515 -0.897 1.00 45.10 H new ATOM 0 HB2 GLU A 78 3.102 16.394 -2.449 1.00 54.24 H new ATOM 0 HB3 GLU A 78 4.412 15.259 -2.709 1.00 54.24 H new ATOM 0 HG2 GLU A 78 3.225 14.332 -4.683 1.00 12.54 H new ATOM 0 HG3 GLU A 78 1.902 15.450 -4.419 1.00 12.54 H new ATOM 1251 N GLU A 79 0.617 14.866 -0.625 1.00 43.54 N ATOM 1252 CA GLU A 79 -0.808 15.028 -0.325 1.00 43.31 C ATOM 1253 C GLU A 79 -1.262 16.489 -0.520 1.00 35.41 C ATOM 1254 O GLU A 79 -0.941 17.364 0.292 1.00 21.24 O ATOM 1255 CB GLU A 79 -1.060 14.557 1.133 1.00 10.43 C ATOM 1256 CG GLU A 79 -0.618 13.107 1.396 1.00 2.23 C ATOM 1257 CD GLU A 79 -0.918 12.652 2.828 1.00 71.32 C ATOM 1258 OE1 GLU A 79 -1.990 12.062 3.064 1.00 72.41 O ATOM 1259 OE2 GLU A 79 -0.095 12.910 3.737 1.00 45.23 O ATOM 0 H GLU A 79 1.216 14.988 0.191 1.00 43.54 H new ATOM 0 HA GLU A 79 -1.394 14.422 -1.016 1.00 43.31 H new ATOM 0 HB2 GLU A 79 -0.530 15.220 1.817 1.00 10.43 H new ATOM 0 HB3 GLU A 79 -2.122 14.651 1.358 1.00 10.43 H new ATOM 0 HG2 GLU A 79 -1.123 12.444 0.694 1.00 2.23 H new ATOM 0 HG3 GLU A 79 0.452 13.017 1.206 1.00 2.23 H new ATOM 1266 N THR A 80 -1.983 16.723 -1.624 1.00 42.32 N ATOM 1267 CA THR A 80 -2.672 17.974 -1.914 1.00 3.35 C ATOM 1268 C THR A 80 -4.110 17.890 -1.355 1.00 52.52 C ATOM 1269 O THR A 80 -4.980 17.218 -1.939 1.00 12.14 O ATOM 1270 CB THR A 80 -2.732 18.233 -3.462 1.00 21.31 C ATOM 1271 OG1 THR A 80 -1.438 18.028 -4.046 1.00 12.33 O ATOM 1272 CG2 THR A 80 -3.208 19.659 -3.783 1.00 23.25 C ATOM 0 H THR A 80 -2.103 16.024 -2.357 1.00 42.32 H new ATOM 0 HA THR A 80 -2.127 18.795 -1.448 1.00 3.35 H new ATOM 0 HB THR A 80 -3.449 17.528 -3.882 1.00 21.31 H new ATOM 0 HG1 THR A 80 -1.485 18.190 -5.011 1.00 12.33 H new ATOM 0 HG21 THR A 80 -3.236 19.799 -4.864 1.00 23.25 H new ATOM 0 HG22 THR A 80 -4.206 19.811 -3.372 1.00 23.25 H new ATOM 0 HG23 THR A 80 -2.520 20.380 -3.342 1.00 23.25 H new ATOM 1280 N THR A 81 -4.343 18.547 -0.217 1.00 25.55 N ATOM 1281 CA THR A 81 -5.671 18.639 0.405 1.00 62.30 C ATOM 1282 C THR A 81 -5.896 20.069 0.931 1.00 42.54 C ATOM 1283 O THR A 81 -4.975 20.688 1.488 1.00 42.21 O ATOM 1284 CB THR A 81 -5.858 17.577 1.537 1.00 1.14 C ATOM 1285 OG1 THR A 81 -7.201 17.633 2.043 1.00 13.02 O ATOM 1286 CG2 THR A 81 -4.857 17.754 2.697 1.00 12.30 C ATOM 0 H THR A 81 -3.614 19.034 0.304 1.00 25.55 H new ATOM 0 HA THR A 81 -6.423 18.419 -0.352 1.00 62.30 H new ATOM 0 HB THR A 81 -5.663 16.601 1.092 1.00 1.14 H new ATOM 0 HG1 THR A 81 -7.312 16.964 2.751 1.00 13.02 H new ATOM 0 HG21 THR A 81 -5.036 16.988 3.452 1.00 12.30 H new ATOM 0 HG22 THR A 81 -3.840 17.659 2.317 1.00 12.30 H new ATOM 0 HG23 THR A 81 -4.987 18.740 3.143 1.00 12.30 H new ATOM 1294 N GLY A 82 -7.118 20.599 0.698 1.00 34.25 N ATOM 1295 CA GLY A 82 -7.474 21.967 1.081 1.00 22.12 C ATOM 1296 C GLY A 82 -6.670 23.027 0.328 1.00 3.33 C ATOM 1297 O GLY A 82 -6.534 24.158 0.807 1.00 52.15 O ATOM 0 H GLY A 82 -7.874 20.088 0.242 1.00 34.25 H new ATOM 0 HA2 GLY A 82 -8.536 22.125 0.896 1.00 22.12 H new ATOM 0 HA3 GLY A 82 -7.315 22.091 2.152 1.00 22.12 H new ATOM 1301 N GLY A 83 -6.122 22.648 -0.851 1.00 44.21 N ATOM 1302 CA GLY A 83 -5.260 23.528 -1.647 1.00 40.05 C ATOM 1303 C GLY A 83 -3.772 23.329 -1.356 1.00 34.43 C ATOM 1304 O GLY A 83 -2.936 23.462 -2.255 1.00 0.01 O ATOM 0 H GLY A 83 -6.269 21.728 -1.267 1.00 44.21 H new ATOM 0 HA2 GLY A 83 -5.445 23.348 -2.706 1.00 40.05 H new ATOM 0 HA3 GLY A 83 -5.528 24.566 -1.449 1.00 40.05 H new ATOM 1308 N THR A 84 -3.445 23.008 -0.093 1.00 33.25 N ATOM 1309 CA THR A 84 -2.056 22.866 0.377 1.00 71.44 C ATOM 1310 C THR A 84 -1.501 21.451 0.086 1.00 14.44 C ATOM 1311 O THR A 84 -2.190 20.454 0.314 1.00 12.04 O ATOM 1312 CB THR A 84 -1.961 23.165 1.915 1.00 23.12 C ATOM 1313 OG1 THR A 84 -2.795 22.254 2.649 1.00 63.12 O ATOM 1314 CG2 THR A 84 -2.387 24.608 2.246 1.00 75.11 C ATOM 0 H THR A 84 -4.140 22.839 0.634 1.00 33.25 H new ATOM 0 HA THR A 84 -1.451 23.590 -0.169 1.00 71.44 H new ATOM 0 HB THR A 84 -0.918 23.038 2.204 1.00 23.12 H new ATOM 0 HG1 THR A 84 -3.354 21.747 2.024 1.00 63.12 H new ATOM 0 HG21 THR A 84 -2.307 24.774 3.320 1.00 75.11 H new ATOM 0 HG22 THR A 84 -1.737 25.309 1.721 1.00 75.11 H new ATOM 0 HG23 THR A 84 -3.419 24.764 1.931 1.00 75.11 H new ATOM 1322 N THR A 85 -0.254 21.382 -0.418 1.00 4.01 N ATOM 1323 CA THR A 85 0.443 20.116 -0.705 1.00 3.33 C ATOM 1324 C THR A 85 1.565 19.884 0.329 1.00 64.13 C ATOM 1325 O THR A 85 2.175 20.846 0.810 1.00 50.01 O ATOM 1326 CB THR A 85 1.036 20.128 -2.154 1.00 63.55 C ATOM 1327 OG1 THR A 85 0.006 20.506 -3.085 1.00 71.03 O ATOM 1328 CG2 THR A 85 1.596 18.755 -2.572 1.00 22.02 C ATOM 0 H THR A 85 0.301 22.209 -0.638 1.00 4.01 H new ATOM 0 HA THR A 85 -0.277 19.301 -0.636 1.00 3.33 H new ATOM 0 HB THR A 85 1.858 20.844 -2.162 1.00 63.55 H new ATOM 0 HG1 THR A 85 -0.462 19.704 -3.399 1.00 71.03 H new ATOM 0 HG21 THR A 85 1.995 18.818 -3.584 1.00 22.02 H new ATOM 0 HG22 THR A 85 2.391 18.462 -1.886 1.00 22.02 H new ATOM 0 HG23 THR A 85 0.799 18.012 -2.542 1.00 22.02 H new ATOM 1336 N THR A 86 1.812 18.608 0.684 1.00 35.30 N ATOM 1337 CA THR A 86 2.909 18.212 1.590 1.00 14.34 C ATOM 1338 C THR A 86 3.492 16.870 1.117 1.00 3.52 C ATOM 1339 O THR A 86 2.753 15.891 1.001 1.00 3.43 O ATOM 1340 CB THR A 86 2.401 18.087 3.073 1.00 43.45 C ATOM 1341 OG1 THR A 86 1.889 19.356 3.519 1.00 11.13 O ATOM 1342 CG2 THR A 86 3.506 17.612 4.045 1.00 23.02 C ATOM 0 H THR A 86 1.256 17.821 0.350 1.00 35.30 H new ATOM 0 HA THR A 86 3.681 18.981 1.565 1.00 14.34 H new ATOM 0 HB THR A 86 1.614 17.332 3.078 1.00 43.45 H new ATOM 0 HG1 THR A 86 1.572 19.274 4.443 1.00 11.13 H new ATOM 0 HG21 THR A 86 3.099 17.544 5.054 1.00 23.02 H new ATOM 0 HG22 THR A 86 3.868 16.632 3.733 1.00 23.02 H new ATOM 0 HG23 THR A 86 4.331 18.324 4.034 1.00 23.02 H new ATOM 1350 N ASN A 87 4.811 16.833 0.858 1.00 51.03 N ATOM 1351 CA ASN A 87 5.505 15.618 0.402 1.00 64.25 C ATOM 1352 C ASN A 87 5.713 14.679 1.600 1.00 23.31 C ATOM 1353 O ASN A 87 6.586 14.909 2.443 1.00 52.14 O ATOM 1354 CB ASN A 87 6.864 15.991 -0.261 1.00 60.41 C ATOM 1355 CG ASN A 87 6.697 16.836 -1.526 1.00 54.34 C ATOM 1356 OD1 ASN A 87 6.597 18.061 -1.461 1.00 64.23 O ATOM 1357 ND2 ASN A 87 6.670 16.199 -2.681 1.00 13.12 N ATOM 0 H ASN A 87 5.423 17.642 0.959 1.00 51.03 H new ATOM 0 HA ASN A 87 4.900 15.106 -0.347 1.00 64.25 H new ATOM 0 HB2 ASN A 87 7.475 16.538 0.457 1.00 60.41 H new ATOM 0 HB3 ASN A 87 7.404 15.077 -0.509 1.00 60.41 H new ATOM 0 HD21 ASN A 87 6.564 16.723 -3.550 1.00 13.12 H new ATOM 0 HD22 ASN A 87 6.755 15.183 -2.705 1.00 13.12 H new ATOM 1364 N THR A 88 4.862 13.646 1.675 1.00 51.05 N ATOM 1365 CA THR A 88 4.829 12.689 2.789 1.00 4.34 C ATOM 1366 C THR A 88 5.396 11.335 2.339 1.00 31.32 C ATOM 1367 O THR A 88 5.021 10.816 1.296 1.00 21.23 O ATOM 1368 CB THR A 88 3.365 12.504 3.298 1.00 44.34 C ATOM 1369 OG1 THR A 88 2.840 13.775 3.715 1.00 30.05 O ATOM 1370 CG2 THR A 88 3.273 11.500 4.465 1.00 13.32 C ATOM 0 H THR A 88 4.168 13.449 0.954 1.00 51.05 H new ATOM 0 HA THR A 88 5.441 13.080 3.602 1.00 4.34 H new ATOM 0 HB THR A 88 2.778 12.101 2.473 1.00 44.34 H new ATOM 0 HG1 THR A 88 1.864 13.718 3.787 1.00 30.05 H new ATOM 0 HG21 THR A 88 2.235 11.406 4.783 1.00 13.32 H new ATOM 0 HG22 THR A 88 3.642 10.528 4.138 1.00 13.32 H new ATOM 0 HG23 THR A 88 3.878 11.856 5.299 1.00 13.32 H new ATOM 1378 N THR A 89 6.302 10.781 3.136 1.00 52.41 N ATOM 1379 CA THR A 89 6.887 9.461 2.893 1.00 13.33 C ATOM 1380 C THR A 89 6.111 8.399 3.700 1.00 51.54 C ATOM 1381 O THR A 89 6.036 8.480 4.924 1.00 21.42 O ATOM 1382 CB THR A 89 8.397 9.456 3.302 1.00 31.03 C ATOM 1383 OG1 THR A 89 9.064 10.577 2.687 1.00 62.44 O ATOM 1384 CG2 THR A 89 9.102 8.149 2.887 1.00 63.45 C ATOM 0 H THR A 89 6.656 11.236 3.977 1.00 52.41 H new ATOM 0 HA THR A 89 6.817 9.226 1.831 1.00 13.33 H new ATOM 0 HB THR A 89 8.449 9.532 4.388 1.00 31.03 H new ATOM 0 HG1 THR A 89 10.010 10.576 2.944 1.00 62.44 H new ATOM 0 HG21 THR A 89 10.148 8.188 3.190 1.00 63.45 H new ATOM 0 HG22 THR A 89 8.615 7.303 3.372 1.00 63.45 H new ATOM 0 HG23 THR A 89 9.042 8.031 1.805 1.00 63.45 H new ATOM 1392 N TYR A 90 5.529 7.423 3.006 1.00 43.03 N ATOM 1393 CA TYR A 90 4.825 6.291 3.616 1.00 1.51 C ATOM 1394 C TYR A 90 5.727 5.056 3.552 1.00 45.14 C ATOM 1395 O TYR A 90 6.228 4.704 2.480 1.00 13.01 O ATOM 1396 CB TYR A 90 3.501 6.015 2.850 1.00 72.34 C ATOM 1397 CG TYR A 90 2.372 7.006 3.147 1.00 61.02 C ATOM 1398 CD1 TYR A 90 2.202 8.182 2.408 1.00 13.23 C ATOM 1399 CD2 TYR A 90 1.462 6.754 4.172 1.00 4.15 C ATOM 1400 CE1 TYR A 90 1.163 9.059 2.683 1.00 61.14 C ATOM 1401 CE2 TYR A 90 0.432 7.622 4.449 1.00 33.14 C ATOM 1402 CZ TYR A 90 0.282 8.772 3.705 1.00 42.44 C ATOM 1403 OH TYR A 90 -0.756 9.631 3.993 1.00 11.02 O ATOM 0 H TYR A 90 5.532 7.394 1.986 1.00 43.03 H new ATOM 0 HA TYR A 90 4.587 6.523 4.654 1.00 1.51 H new ATOM 0 HB2 TYR A 90 3.707 6.029 1.780 1.00 72.34 H new ATOM 0 HB3 TYR A 90 3.158 5.010 3.095 1.00 72.34 H new ATOM 0 HD1 TYR A 90 2.892 8.411 1.609 1.00 13.23 H new ATOM 0 HD2 TYR A 90 1.568 5.856 4.763 1.00 4.15 H new ATOM 0 HE1 TYR A 90 1.045 9.961 2.101 1.00 61.14 H new ATOM 0 HE2 TYR A 90 -0.259 7.402 5.249 1.00 33.14 H new ATOM 0 HH TYR A 90 -0.508 10.202 4.750 1.00 11.02 H new ATOM 1413 N GLU A 91 5.948 4.423 4.709 1.00 64.12 N ATOM 1414 CA GLU A 91 6.686 3.156 4.804 1.00 13.55 C ATOM 1415 C GLU A 91 5.687 2.023 5.062 1.00 1.22 C ATOM 1416 O GLU A 91 5.172 1.898 6.175 1.00 71.30 O ATOM 1417 CB GLU A 91 7.734 3.214 5.946 1.00 62.41 C ATOM 1418 CG GLU A 91 8.763 4.362 5.840 1.00 1.00 C ATOM 1419 CD GLU A 91 9.769 4.378 7.007 1.00 1.23 C ATOM 1420 OE1 GLU A 91 10.988 4.515 6.767 1.00 50.24 O ATOM 1421 OE2 GLU A 91 9.340 4.256 8.180 1.00 22.20 O ATOM 0 H GLU A 91 5.620 4.774 5.609 1.00 64.12 H new ATOM 0 HA GLU A 91 7.218 2.978 3.870 1.00 13.55 H new ATOM 0 HB2 GLU A 91 7.207 3.307 6.896 1.00 62.41 H new ATOM 0 HB3 GLU A 91 8.272 2.267 5.971 1.00 62.41 H new ATOM 0 HG2 GLU A 91 9.307 4.269 4.900 1.00 1.00 H new ATOM 0 HG3 GLU A 91 8.234 5.315 5.810 1.00 1.00 H new ATOM 1428 N LEU A 92 5.393 1.225 4.028 1.00 51.03 N ATOM 1429 CA LEU A 92 4.477 0.082 4.133 1.00 51.43 C ATOM 1430 C LEU A 92 5.301 -1.165 4.471 1.00 30.20 C ATOM 1431 O LEU A 92 6.061 -1.665 3.640 1.00 42.22 O ATOM 1432 CB LEU A 92 3.651 -0.109 2.827 1.00 74.24 C ATOM 1433 CG LEU A 92 2.643 1.037 2.466 1.00 45.04 C ATOM 1434 CD1 LEU A 92 3.360 2.327 2.029 1.00 52.55 C ATOM 1435 CD2 LEU A 92 1.631 0.578 1.401 1.00 22.25 C ATOM 0 H LEU A 92 5.784 1.353 3.095 1.00 51.03 H new ATOM 0 HA LEU A 92 3.752 0.264 4.926 1.00 51.43 H new ATOM 0 HB2 LEU A 92 4.347 -0.226 1.996 1.00 74.24 H new ATOM 0 HB3 LEU A 92 3.093 -1.042 2.909 1.00 74.24 H new ATOM 0 HG LEU A 92 2.092 1.270 3.377 1.00 45.04 H new ATOM 0 HD11 LEU A 92 2.620 3.091 1.789 1.00 52.55 H new ATOM 0 HD12 LEU A 92 3.998 2.681 2.839 1.00 52.55 H new ATOM 0 HD13 LEU A 92 3.970 2.124 1.149 1.00 52.55 H new ATOM 0 HD21 LEU A 92 0.947 1.395 1.173 1.00 22.25 H new ATOM 0 HD22 LEU A 92 2.163 0.287 0.495 1.00 22.25 H new ATOM 0 HD23 LEU A 92 1.066 -0.274 1.779 1.00 22.25 H new ATOM 1447 N ARG A 93 5.172 -1.617 5.719 1.00 4.35 N ATOM 1448 CA ARG A 93 5.973 -2.715 6.271 1.00 64.30 C ATOM 1449 C ARG A 93 5.235 -4.053 6.055 1.00 31.23 C ATOM 1450 O ARG A 93 4.339 -4.408 6.819 1.00 64.45 O ATOM 1451 CB ARG A 93 6.227 -2.430 7.787 1.00 5.25 C ATOM 1452 CG ARG A 93 7.279 -3.330 8.447 1.00 71.41 C ATOM 1453 CD ARG A 93 7.487 -3.034 9.946 1.00 51.10 C ATOM 1454 NE ARG A 93 8.698 -3.685 10.490 1.00 51.41 N ATOM 1455 CZ ARG A 93 8.741 -4.852 11.161 1.00 41.13 C ATOM 1456 NH1 ARG A 93 7.631 -5.550 11.405 1.00 64.43 N ATOM 1457 NH2 ARG A 93 9.912 -5.314 11.581 1.00 52.32 N ATOM 0 H ARG A 93 4.502 -1.229 6.383 1.00 4.35 H new ATOM 0 HA ARG A 93 6.936 -2.786 5.765 1.00 64.30 H new ATOM 0 HB2 ARG A 93 6.537 -1.391 7.899 1.00 5.25 H new ATOM 0 HB3 ARG A 93 5.286 -2.542 8.325 1.00 5.25 H new ATOM 0 HG2 ARG A 93 6.981 -4.372 8.328 1.00 71.41 H new ATOM 0 HG3 ARG A 93 8.228 -3.209 7.925 1.00 71.41 H new ATOM 0 HD2 ARG A 93 7.561 -1.957 10.093 1.00 51.10 H new ATOM 0 HD3 ARG A 93 6.614 -3.373 10.504 1.00 51.10 H new ATOM 0 HE ARG A 93 9.586 -3.204 10.343 1.00 51.41 H new ATOM 0 HH11 ARG A 93 6.728 -5.202 11.082 1.00 64.43 H new ATOM 0 HH12 ARG A 93 7.685 -6.432 11.915 1.00 64.43 H new ATOM 0 HH21 ARG A 93 10.765 -4.787 11.394 1.00 52.32 H new ATOM 0 HH22 ARG A 93 9.959 -6.196 12.090 1.00 52.32 H new ATOM 1471 N PHE A 94 5.614 -4.774 4.989 1.00 55.45 N ATOM 1472 CA PHE A 94 5.000 -6.060 4.617 1.00 55.53 C ATOM 1473 C PHE A 94 5.761 -7.219 5.274 1.00 70.23 C ATOM 1474 O PHE A 94 6.942 -7.423 5.003 1.00 25.24 O ATOM 1475 CB PHE A 94 5.003 -6.230 3.077 1.00 2.11 C ATOM 1476 CG PHE A 94 4.183 -5.194 2.329 1.00 34.24 C ATOM 1477 CD1 PHE A 94 4.794 -4.107 1.719 1.00 44.12 C ATOM 1478 CD2 PHE A 94 2.795 -5.313 2.237 1.00 72.54 C ATOM 1479 CE1 PHE A 94 4.046 -3.164 1.041 1.00 74.45 C ATOM 1480 CE2 PHE A 94 2.049 -4.370 1.560 1.00 12.41 C ATOM 1481 CZ PHE A 94 2.677 -3.295 0.959 1.00 61.53 C ATOM 0 H PHE A 94 6.359 -4.481 4.357 1.00 55.45 H new ATOM 0 HA PHE A 94 3.969 -6.069 4.970 1.00 55.53 H new ATOM 0 HB2 PHE A 94 6.032 -6.187 2.721 1.00 2.11 H new ATOM 0 HB3 PHE A 94 4.623 -7.222 2.833 1.00 2.11 H new ATOM 0 HD1 PHE A 94 5.867 -3.997 1.775 1.00 44.12 H new ATOM 0 HD2 PHE A 94 2.299 -6.153 2.701 1.00 72.54 H new ATOM 0 HE1 PHE A 94 4.536 -2.322 0.574 1.00 74.45 H new ATOM 0 HE2 PHE A 94 0.975 -4.472 1.500 1.00 12.41 H new ATOM 0 HZ PHE A 94 2.095 -2.558 0.425 1.00 61.53 H new ATOM 1491 N GLU A 95 5.080 -7.967 6.137 1.00 63.12 N ATOM 1492 CA GLU A 95 5.662 -9.112 6.848 1.00 43.44 C ATOM 1493 C GLU A 95 5.204 -10.407 6.155 1.00 54.30 C ATOM 1494 O GLU A 95 3.989 -10.647 6.030 1.00 14.55 O ATOM 1495 CB GLU A 95 5.193 -9.086 8.326 1.00 61.32 C ATOM 1496 CG GLU A 95 6.045 -9.928 9.293 1.00 13.10 C ATOM 1497 CD GLU A 95 5.518 -9.857 10.734 1.00 51.44 C ATOM 1498 OE1 GLU A 95 6.144 -9.181 11.589 1.00 25.53 O ATOM 1499 OE2 GLU A 95 4.452 -10.453 11.009 1.00 12.31 O ATOM 0 H GLU A 95 4.101 -7.798 6.368 1.00 63.12 H new ATOM 0 HA GLU A 95 6.751 -9.063 6.828 1.00 43.44 H new ATOM 0 HB2 GLU A 95 5.191 -8.053 8.673 1.00 61.32 H new ATOM 0 HB3 GLU A 95 4.163 -9.439 8.371 1.00 61.32 H new ATOM 0 HG2 GLU A 95 6.052 -10.966 8.960 1.00 13.10 H new ATOM 0 HG3 GLU A 95 7.077 -9.578 9.266 1.00 13.10 H new ATOM 1506 N VAL A 96 6.160 -11.219 5.679 1.00 11.25 N ATOM 1507 CA VAL A 96 5.843 -12.497 5.020 1.00 74.53 C ATOM 1508 C VAL A 96 5.704 -13.610 6.074 1.00 51.21 C ATOM 1509 O VAL A 96 6.455 -13.643 7.057 1.00 22.02 O ATOM 1510 CB VAL A 96 6.908 -12.892 3.924 1.00 50.34 C ATOM 1511 CG1 VAL A 96 7.133 -11.724 2.945 1.00 14.51 C ATOM 1512 CG2 VAL A 96 8.249 -13.385 4.519 1.00 0.43 C ATOM 0 H VAL A 96 7.158 -11.015 5.737 1.00 11.25 H new ATOM 0 HA VAL A 96 4.893 -12.372 4.500 1.00 74.53 H new ATOM 0 HB VAL A 96 6.493 -13.740 3.379 1.00 50.34 H new ATOM 0 HG11 VAL A 96 7.870 -12.014 2.196 1.00 14.51 H new ATOM 0 HG12 VAL A 96 6.193 -11.476 2.452 1.00 14.51 H new ATOM 0 HG13 VAL A 96 7.495 -10.854 3.493 1.00 14.51 H new ATOM 0 HG21 VAL A 96 8.934 -13.639 3.710 1.00 0.43 H new ATOM 0 HG22 VAL A 96 8.687 -12.597 5.131 1.00 0.43 H new ATOM 0 HG23 VAL A 96 8.072 -14.267 5.135 1.00 0.43 H new ATOM 1522 N ASP A 97 4.722 -14.487 5.871 1.00 53.35 N ATOM 1523 CA ASP A 97 4.488 -15.672 6.710 1.00 63.01 C ATOM 1524 C ASP A 97 4.240 -16.853 5.768 1.00 31.33 C ATOM 1525 O ASP A 97 3.280 -16.836 4.987 1.00 44.44 O ATOM 1526 CB ASP A 97 3.285 -15.447 7.659 1.00 54.52 C ATOM 1527 CG ASP A 97 2.972 -16.660 8.557 1.00 2.45 C ATOM 1528 OD1 ASP A 97 3.794 -16.985 9.440 1.00 55.41 O ATOM 1529 OD2 ASP A 97 1.894 -17.279 8.395 1.00 11.21 O ATOM 0 H ASP A 97 4.052 -14.397 5.107 1.00 53.35 H new ATOM 0 HA ASP A 97 5.352 -15.871 7.345 1.00 63.01 H new ATOM 0 HB2 ASP A 97 3.487 -14.581 8.290 1.00 54.52 H new ATOM 0 HB3 ASP A 97 2.403 -15.209 7.064 1.00 54.52 H new ATOM 1534 N GLY A 98 5.127 -17.856 5.834 1.00 41.45 N ATOM 1535 CA GLY A 98 5.168 -18.925 4.848 1.00 55.33 C ATOM 1536 C GLY A 98 5.838 -18.450 3.568 1.00 21.00 C ATOM 1537 O GLY A 98 7.034 -18.137 3.577 1.00 71.22 O ATOM 0 H GLY A 98 5.828 -17.942 6.570 1.00 41.45 H new ATOM 0 HA2 GLY A 98 5.710 -19.779 5.253 1.00 55.33 H new ATOM 0 HA3 GLY A 98 4.155 -19.265 4.630 1.00 55.33 H new ATOM 1541 N ASP A 99 5.069 -18.386 2.471 1.00 2.44 N ATOM 1542 CA ASP A 99 5.570 -17.933 1.155 1.00 71.32 C ATOM 1543 C ASP A 99 4.918 -16.615 0.711 1.00 13.22 C ATOM 1544 O ASP A 99 5.447 -15.931 -0.168 1.00 3.33 O ATOM 1545 CB ASP A 99 5.314 -19.018 0.080 1.00 63.24 C ATOM 1546 CG ASP A 99 6.078 -20.323 0.344 1.00 44.22 C ATOM 1547 OD1 ASP A 99 5.497 -21.257 0.935 1.00 2.42 O ATOM 1548 OD2 ASP A 99 7.269 -20.412 -0.029 1.00 50.44 O ATOM 0 H ASP A 99 4.083 -18.645 2.466 1.00 2.44 H new ATOM 0 HA ASP A 99 6.641 -17.761 1.263 1.00 71.32 H new ATOM 0 HB2 ASP A 99 4.246 -19.232 0.036 1.00 63.24 H new ATOM 0 HB3 ASP A 99 5.601 -18.628 -0.896 1.00 63.24 H new ATOM 1553 N THR A 100 3.768 -16.270 1.305 1.00 55.33 N ATOM 1554 CA THR A 100 2.994 -15.070 0.933 1.00 31.43 C ATOM 1555 C THR A 100 3.017 -14.036 2.069 1.00 72.15 C ATOM 1556 O THR A 100 3.345 -14.368 3.217 1.00 50.32 O ATOM 1557 CB THR A 100 1.519 -15.456 0.557 1.00 25.22 C ATOM 1558 OG1 THR A 100 0.788 -14.297 0.128 1.00 42.55 O ATOM 1559 CG2 THR A 100 0.779 -16.130 1.720 1.00 3.54 C ATOM 0 H THR A 100 3.345 -16.813 2.058 1.00 55.33 H new ATOM 0 HA THR A 100 3.460 -14.620 0.056 1.00 31.43 H new ATOM 0 HB THR A 100 1.580 -16.174 -0.261 1.00 25.22 H new ATOM 0 HG1 THR A 100 -0.128 -14.556 -0.104 1.00 42.55 H new ATOM 0 HG21 THR A 100 -0.236 -16.378 1.410 1.00 3.54 H new ATOM 0 HG22 THR A 100 1.304 -17.042 2.006 1.00 3.54 H new ATOM 0 HG23 THR A 100 0.743 -15.450 2.571 1.00 3.54 H new ATOM 1567 N ILE A 101 2.686 -12.774 1.735 1.00 11.04 N ATOM 1568 CA ILE A 101 2.636 -11.682 2.711 1.00 72.03 C ATOM 1569 C ILE A 101 1.281 -11.732 3.443 1.00 11.51 C ATOM 1570 O ILE A 101 0.224 -11.783 2.796 1.00 13.33 O ATOM 1571 CB ILE A 101 2.822 -10.278 2.031 1.00 4.32 C ATOM 1572 CG1 ILE A 101 4.105 -10.247 1.147 1.00 35.12 C ATOM 1573 CG2 ILE A 101 2.866 -9.166 3.105 1.00 24.11 C ATOM 1574 CD1 ILE A 101 4.331 -8.957 0.372 1.00 11.24 C ATOM 0 H ILE A 101 2.448 -12.489 0.785 1.00 11.04 H new ATOM 0 HA ILE A 101 3.457 -11.813 3.416 1.00 72.03 H new ATOM 0 HB ILE A 101 1.968 -10.098 1.379 1.00 4.32 H new ATOM 0 HG12 ILE A 101 4.970 -10.424 1.786 1.00 35.12 H new ATOM 0 HG13 ILE A 101 4.058 -11.074 0.438 1.00 35.12 H new ATOM 0 HG21 ILE A 101 2.995 -8.198 2.621 1.00 24.11 H new ATOM 0 HG22 ILE A 101 1.933 -9.168 3.669 1.00 24.11 H new ATOM 0 HG23 ILE A 101 3.700 -9.347 3.782 1.00 24.11 H new ATOM 0 HD11 ILE A 101 5.249 -9.038 -0.210 1.00 11.24 H new ATOM 0 HD12 ILE A 101 3.490 -8.783 -0.299 1.00 11.24 H new ATOM 0 HD13 ILE A 101 4.417 -8.124 1.069 1.00 11.24 H new ATOM 1586 N ARG A 102 1.325 -11.723 4.785 1.00 74.35 N ATOM 1587 CA ARG A 102 0.125 -11.863 5.641 1.00 71.21 C ATOM 1588 C ARG A 102 -0.161 -10.594 6.456 1.00 33.21 C ATOM 1589 O ARG A 102 -1.261 -10.444 7.000 1.00 62.41 O ATOM 1590 CB ARG A 102 0.307 -13.077 6.591 1.00 14.22 C ATOM 1591 CG ARG A 102 0.333 -14.448 5.886 1.00 60.30 C ATOM 1592 CD ARG A 102 -0.940 -14.703 5.081 1.00 52.42 C ATOM 1593 NE ARG A 102 -1.036 -16.066 4.565 1.00 1.21 N ATOM 1594 CZ ARG A 102 -2.155 -16.606 4.056 1.00 13.24 C ATOM 1595 NH1 ARG A 102 -3.290 -15.901 3.977 1.00 40.12 N ATOM 1596 NH2 ARG A 102 -2.139 -17.864 3.653 1.00 71.53 N ATOM 0 H ARG A 102 2.192 -11.619 5.312 1.00 74.35 H new ATOM 0 HA ARG A 102 -0.733 -12.024 4.988 1.00 71.21 H new ATOM 0 HB2 ARG A 102 1.237 -12.951 7.145 1.00 14.22 H new ATOM 0 HB3 ARG A 102 -0.502 -13.074 7.321 1.00 14.22 H new ATOM 0 HG2 ARG A 102 1.197 -14.498 5.223 1.00 60.30 H new ATOM 0 HG3 ARG A 102 0.455 -15.236 6.630 1.00 60.30 H new ATOM 0 HD2 ARG A 102 -1.806 -14.499 5.710 1.00 52.42 H new ATOM 0 HD3 ARG A 102 -0.980 -14.003 4.247 1.00 52.42 H new ATOM 0 HE ARG A 102 -0.197 -16.646 4.593 1.00 1.21 H new ATOM 0 HH11 ARG A 102 -3.315 -14.936 4.307 1.00 40.12 H new ATOM 0 HH12 ARG A 102 -4.130 -16.329 3.587 1.00 40.12 H new ATOM 0 HH21 ARG A 102 -1.283 -18.413 3.730 1.00 71.53 H new ATOM 0 HH22 ARG A 102 -2.983 -18.286 3.265 1.00 71.53 H new ATOM 1610 N ARG A 103 0.817 -9.681 6.535 1.00 75.00 N ATOM 1611 CA ARG A 103 0.728 -8.499 7.413 1.00 11.22 C ATOM 1612 C ARG A 103 1.262 -7.250 6.691 1.00 21.01 C ATOM 1613 O ARG A 103 2.155 -7.349 5.845 1.00 74.30 O ATOM 1614 CB ARG A 103 1.536 -8.771 8.717 1.00 24.45 C ATOM 1615 CG ARG A 103 1.435 -7.702 9.831 1.00 34.41 C ATOM 1616 CD ARG A 103 -0.002 -7.525 10.345 1.00 74.34 C ATOM 1617 NE ARG A 103 -0.063 -6.703 11.569 1.00 65.24 N ATOM 1618 CZ ARG A 103 -0.366 -7.159 12.799 1.00 11.24 C ATOM 1619 NH1 ARG A 103 -0.633 -8.446 13.008 1.00 14.21 N ATOM 1620 NH2 ARG A 103 -0.381 -6.322 13.826 1.00 35.41 N ATOM 0 H ARG A 103 1.684 -9.736 6.000 1.00 75.00 H new ATOM 0 HA ARG A 103 -0.315 -8.314 7.669 1.00 11.22 H new ATOM 0 HB2 ARG A 103 1.206 -9.725 9.129 1.00 24.45 H new ATOM 0 HB3 ARG A 103 2.586 -8.886 8.449 1.00 24.45 H new ATOM 0 HG2 ARG A 103 2.083 -7.984 10.661 1.00 34.41 H new ATOM 0 HG3 ARG A 103 1.802 -6.749 9.450 1.00 34.41 H new ATOM 0 HD2 ARG A 103 -0.609 -7.060 9.568 1.00 74.34 H new ATOM 0 HD3 ARG A 103 -0.437 -8.504 10.546 1.00 74.34 H new ATOM 0 HE ARG A 103 0.141 -5.708 11.476 1.00 65.24 H new ATOM 0 HH11 ARG A 103 -0.610 -9.105 12.229 1.00 14.21 H new ATOM 0 HH12 ARG A 103 -0.861 -8.774 13.947 1.00 14.21 H new ATOM 0 HH21 ARG A 103 -0.163 -5.336 13.683 1.00 35.41 H new ATOM 0 HH22 ARG A 103 -0.610 -6.664 14.759 1.00 35.41 H new ATOM 1634 N VAL A 104 0.688 -6.083 7.033 1.00 2.40 N ATOM 1635 CA VAL A 104 1.179 -4.761 6.593 1.00 43.45 C ATOM 1636 C VAL A 104 1.052 -3.757 7.763 1.00 33.50 C ATOM 1637 O VAL A 104 0.088 -3.816 8.538 1.00 43.50 O ATOM 1638 CB VAL A 104 0.405 -4.235 5.322 1.00 43.44 C ATOM 1639 CG1 VAL A 104 -1.114 -4.095 5.576 1.00 50.30 C ATOM 1640 CG2 VAL A 104 1.018 -2.913 4.780 1.00 11.41 C ATOM 0 H VAL A 104 -0.138 -6.028 7.629 1.00 2.40 H new ATOM 0 HA VAL A 104 2.225 -4.862 6.305 1.00 43.45 H new ATOM 0 HB VAL A 104 0.527 -4.993 4.548 1.00 43.44 H new ATOM 0 HG11 VAL A 104 -1.602 -3.730 4.672 1.00 50.30 H new ATOM 0 HG12 VAL A 104 -1.529 -5.066 5.845 1.00 50.30 H new ATOM 0 HG13 VAL A 104 -1.283 -3.390 6.390 1.00 50.30 H new ATOM 0 HG21 VAL A 104 0.457 -2.584 3.905 1.00 11.41 H new ATOM 0 HG22 VAL A 104 0.969 -2.146 5.553 1.00 11.41 H new ATOM 0 HG23 VAL A 104 2.058 -3.082 4.502 1.00 11.41 H new ATOM 1650 N THR A 105 2.063 -2.883 7.930 1.00 30.02 N ATOM 1651 CA THR A 105 2.004 -1.749 8.864 1.00 23.15 C ATOM 1652 C THR A 105 2.537 -0.499 8.150 1.00 14.42 C ATOM 1653 O THR A 105 3.743 -0.368 7.948 1.00 20.20 O ATOM 1654 CB THR A 105 2.837 -2.041 10.154 1.00 12.51 C ATOM 1655 OG1 THR A 105 2.378 -3.262 10.754 1.00 15.21 O ATOM 1656 CG2 THR A 105 2.742 -0.903 11.190 1.00 1.52 C ATOM 0 H THR A 105 2.944 -2.946 7.419 1.00 30.02 H new ATOM 0 HA THR A 105 0.971 -1.588 9.173 1.00 23.15 H new ATOM 0 HB THR A 105 3.881 -2.126 9.852 1.00 12.51 H new ATOM 0 HG1 THR A 105 2.901 -3.446 11.562 1.00 15.21 H new ATOM 0 HG21 THR A 105 3.339 -1.158 12.066 1.00 1.52 H new ATOM 0 HG22 THR A 105 3.118 0.021 10.751 1.00 1.52 H new ATOM 0 HG23 THR A 105 1.702 -0.767 11.487 1.00 1.52 H new ATOM 1664 N VAL A 106 1.634 0.401 7.752 1.00 72.52 N ATOM 1665 CA VAL A 106 1.996 1.646 7.052 1.00 43.22 C ATOM 1666 C VAL A 106 2.225 2.776 8.082 1.00 63.24 C ATOM 1667 O VAL A 106 1.427 2.947 9.010 1.00 3.53 O ATOM 1668 CB VAL A 106 0.900 2.055 5.985 1.00 71.03 C ATOM 1669 CG1 VAL A 106 -0.492 2.273 6.619 1.00 50.23 C ATOM 1670 CG2 VAL A 106 1.358 3.286 5.170 1.00 31.33 C ATOM 0 H VAL A 106 0.631 0.292 7.904 1.00 72.52 H new ATOM 0 HA VAL A 106 2.923 1.477 6.504 1.00 43.22 H new ATOM 0 HB VAL A 106 0.792 1.216 5.297 1.00 71.03 H new ATOM 0 HG11 VAL A 106 -1.205 2.552 5.843 1.00 50.23 H new ATOM 0 HG12 VAL A 106 -0.821 1.352 7.101 1.00 50.23 H new ATOM 0 HG13 VAL A 106 -0.433 3.069 7.361 1.00 50.23 H new ATOM 0 HG21 VAL A 106 0.589 3.548 4.444 1.00 31.33 H new ATOM 0 HG22 VAL A 106 1.523 4.127 5.843 1.00 31.33 H new ATOM 0 HG23 VAL A 106 2.286 3.052 4.648 1.00 31.33 H new ATOM 1680 N THR A 107 3.340 3.505 7.940 1.00 31.22 N ATOM 1681 CA THR A 107 3.716 4.601 8.842 1.00 15.23 C ATOM 1682 C THR A 107 3.835 5.906 8.032 1.00 44.15 C ATOM 1683 O THR A 107 4.663 6.009 7.117 1.00 25.21 O ATOM 1684 CB THR A 107 5.059 4.269 9.581 1.00 44.13 C ATOM 1685 OG1 THR A 107 4.946 2.979 10.219 1.00 24.34 O ATOM 1686 CG2 THR A 107 5.409 5.320 10.642 1.00 64.14 C ATOM 0 H THR A 107 4.012 3.349 7.189 1.00 31.22 H new ATOM 0 HA THR A 107 2.946 4.727 9.603 1.00 15.23 H new ATOM 0 HB THR A 107 5.854 4.265 8.835 1.00 44.13 H new ATOM 0 HG1 THR A 107 5.784 2.768 10.680 1.00 24.34 H new ATOM 0 HG21 THR A 107 6.346 5.049 11.128 1.00 64.14 H new ATOM 0 HG22 THR A 107 5.515 6.295 10.167 1.00 64.14 H new ATOM 0 HG23 THR A 107 4.614 5.364 11.387 1.00 64.14 H new ATOM 1694 N GLN A 108 2.960 6.873 8.356 1.00 52.31 N ATOM 1695 CA GLN A 108 2.919 8.188 7.705 1.00 62.13 C ATOM 1696 C GLN A 108 4.014 9.092 8.304 1.00 45.32 C ATOM 1697 O GLN A 108 3.886 9.572 9.438 1.00 3.31 O ATOM 1698 CB GLN A 108 1.507 8.819 7.879 1.00 5.22 C ATOM 1699 CG GLN A 108 1.301 10.150 7.127 1.00 23.52 C ATOM 1700 CD GLN A 108 -0.115 10.730 7.245 1.00 52.11 C ATOM 1701 OE1 GLN A 108 -0.566 11.421 6.213 1.00 34.02 O flip ATOM 1702 NE2 GLN A 108 -0.801 10.559 8.253 1.00 12.33 N flip ATOM 0 H GLN A 108 2.255 6.760 9.085 1.00 52.31 H new ATOM 0 HA GLN A 108 3.110 8.079 6.637 1.00 62.13 H new ATOM 0 HB2 GLN A 108 0.759 8.104 7.536 1.00 5.22 H new ATOM 0 HB3 GLN A 108 1.326 8.985 8.941 1.00 5.22 H new ATOM 0 HG2 GLN A 108 2.014 10.882 7.507 1.00 23.52 H new ATOM 0 HG3 GLN A 108 1.532 9.998 6.073 1.00 23.52 H new ATOM 0 HE21 GLN A 108 -0.431 10.022 9.037 1.00 12.33 H new ATOM 0 HE22 GLN A 108 -1.740 10.955 8.304 1.00 12.33 H new ATOM 1711 N ASN A 109 5.092 9.295 7.531 1.00 41.34 N ATOM 1712 CA ASN A 109 6.291 10.058 7.949 1.00 62.22 C ATOM 1713 C ASN A 109 6.448 11.329 7.095 1.00 73.23 C ATOM 1714 O ASN A 109 6.766 11.238 5.911 1.00 73.33 O ATOM 1715 CB ASN A 109 7.557 9.160 7.796 1.00 13.33 C ATOM 1716 CG ASN A 109 7.573 7.963 8.744 1.00 25.12 C ATOM 1717 OD1 ASN A 109 7.110 8.042 9.882 1.00 62.04 O ATOM 1718 ND2 ASN A 109 8.109 6.852 8.280 1.00 12.45 N ATOM 0 H ASN A 109 5.162 8.930 6.581 1.00 41.34 H new ATOM 0 HA ASN A 109 6.175 10.354 8.992 1.00 62.22 H new ATOM 0 HB2 ASN A 109 7.616 8.801 6.769 1.00 13.33 H new ATOM 0 HB3 ASN A 109 8.446 9.766 7.973 1.00 13.33 H new ATOM 0 HD21 ASN A 109 8.150 6.021 8.869 1.00 12.45 H new ATOM 0 HD22 ASN A 109 8.483 6.824 7.331 1.00 12.45 H new ATOM 1725 N GLY A 110 6.216 12.510 7.694 1.00 31.02 N ATOM 1726 CA GLY A 110 6.434 13.797 7.013 1.00 41.54 C ATOM 1727 C GLY A 110 7.899 14.245 7.082 1.00 2.33 C ATOM 1728 O GLY A 110 8.213 15.279 7.693 1.00 4.14 O ATOM 0 H GLY A 110 5.876 12.599 8.652 1.00 31.02 H new ATOM 0 HA2 GLY A 110 6.131 13.711 5.970 1.00 41.54 H new ATOM 0 HA3 GLY A 110 5.801 14.559 7.467 1.00 41.54 H new ATOM 1732 N GLY A 111 8.797 13.448 6.460 1.00 4.11 N ATOM 1733 CA GLY A 111 10.247 13.681 6.528 1.00 52.25 C ATOM 1734 C GLY A 111 10.833 13.268 7.875 1.00 65.51 C ATOM 1735 O GLY A 111 11.799 13.875 8.360 1.00 73.33 O ATOM 0 H GLY A 111 8.535 12.634 5.903 1.00 4.11 H new ATOM 0 HA2 GLY A 111 10.741 13.123 5.732 1.00 52.25 H new ATOM 0 HA3 GLY A 111 10.453 14.737 6.352 1.00 52.25 H new ATOM 1739 N SER A 112 10.223 12.233 8.479 1.00 32.03 N ATOM 1740 CA SER A 112 10.630 11.703 9.785 1.00 4.13 C ATOM 1741 C SER A 112 11.888 10.830 9.636 1.00 23.34 C ATOM 1742 O SER A 112 11.853 9.810 8.929 1.00 22.33 O ATOM 1743 CB SER A 112 9.469 10.891 10.397 1.00 53.33 C ATOM 1744 OG SER A 112 8.251 11.631 10.347 1.00 5.25 O ATOM 0 H SER A 112 9.429 11.740 8.069 1.00 32.03 H new ATOM 0 HA SER A 112 10.870 12.531 10.452 1.00 4.13 H new ATOM 0 HB2 SER A 112 9.352 9.952 9.856 1.00 53.33 H new ATOM 0 HB3 SER A 112 9.703 10.636 11.431 1.00 53.33 H new ATOM 0 HG SER A 112 7.528 11.098 10.738 1.00 5.25 H new ATOM 1750 N LEU A 113 12.990 11.267 10.290 1.00 72.20 N ATOM 1751 CA LEU A 113 14.313 10.599 10.241 1.00 63.42 C ATOM 1752 C LEU A 113 14.856 10.527 8.796 1.00 32.32 C ATOM 1753 O LEU A 113 15.567 9.584 8.422 1.00 4.51 O ATOM 1754 CB LEU A 113 14.254 9.192 10.924 1.00 74.14 C ATOM 1755 CG LEU A 113 13.783 9.174 12.420 1.00 41.20 C ATOM 1756 CD1 LEU A 113 13.748 7.737 12.986 1.00 63.40 C ATOM 1757 CD2 LEU A 113 14.652 10.106 13.297 1.00 2.22 C ATOM 0 H LEU A 113 12.986 12.103 10.874 1.00 72.20 H new ATOM 0 HA LEU A 113 15.019 11.204 10.810 1.00 63.42 H new ATOM 0 HB2 LEU A 113 13.584 8.557 10.345 1.00 74.14 H new ATOM 0 HB3 LEU A 113 15.245 8.742 10.870 1.00 74.14 H new ATOM 0 HG LEU A 113 12.763 9.558 12.445 1.00 41.20 H new ATOM 0 HD11 LEU A 113 13.417 7.763 14.024 1.00 63.40 H new ATOM 0 HD12 LEU A 113 13.056 7.132 12.400 1.00 63.40 H new ATOM 0 HD13 LEU A 113 14.746 7.301 12.934 1.00 63.40 H new ATOM 0 HD21 LEU A 113 14.299 10.070 14.327 1.00 2.22 H new ATOM 0 HD22 LEU A 113 15.691 9.778 13.258 1.00 2.22 H new ATOM 0 HD23 LEU A 113 14.580 11.128 12.924 1.00 2.22 H new ATOM 1769 N GLU A 114 14.516 11.570 8.015 1.00 4.42 N ATOM 1770 CA GLU A 114 14.965 11.744 6.621 1.00 61.11 C ATOM 1771 C GLU A 114 16.495 11.941 6.618 1.00 10.22 C ATOM 1772 O GLU A 114 17.028 12.645 7.480 1.00 50.33 O ATOM 1773 CB GLU A 114 14.193 12.945 5.981 1.00 51.24 C ATOM 1774 CG GLU A 114 14.191 13.015 4.430 1.00 3.01 C ATOM 1775 CD GLU A 114 15.495 13.547 3.809 1.00 63.24 C ATOM 1776 OE1 GLU A 114 16.308 12.743 3.292 1.00 2.40 O ATOM 1777 OE2 GLU A 114 15.697 14.778 3.817 1.00 2.42 O ATOM 0 H GLU A 114 13.913 12.326 8.340 1.00 4.42 H new ATOM 0 HA GLU A 114 14.745 10.864 6.016 1.00 61.11 H new ATOM 0 HB2 GLU A 114 13.159 12.908 6.323 1.00 51.24 H new ATOM 0 HB3 GLU A 114 14.622 13.871 6.364 1.00 51.24 H new ATOM 0 HG2 GLU A 114 13.997 12.018 4.035 1.00 3.01 H new ATOM 0 HG3 GLU A 114 13.366 13.651 4.110 1.00 3.01 H new ATOM 1784 N HIS A 115 17.180 11.317 5.648 1.00 52.55 N ATOM 1785 CA HIS A 115 18.636 11.107 5.715 1.00 62.22 C ATOM 1786 C HIS A 115 19.438 12.421 5.627 1.00 5.22 C ATOM 1787 O HIS A 115 20.426 12.590 6.354 1.00 24.01 O ATOM 1788 CB HIS A 115 19.094 10.107 4.622 1.00 12.33 C ATOM 1789 CG HIS A 115 20.555 9.731 4.726 1.00 74.20 C ATOM 1790 ND1 HIS A 115 21.035 8.853 5.674 1.00 71.45 N ATOM 1791 CD2 HIS A 115 21.643 10.143 4.024 1.00 21.05 C ATOM 1792 CE1 HIS A 115 22.342 8.748 5.554 1.00 11.15 C ATOM 1793 NE2 HIS A 115 22.737 9.518 4.561 1.00 22.34 N ATOM 0 H HIS A 115 16.746 10.947 4.802 1.00 52.55 H new ATOM 0 HA HIS A 115 18.847 10.682 6.696 1.00 62.22 H new ATOM 0 HB2 HIS A 115 18.488 9.203 4.690 1.00 12.33 H new ATOM 0 HB3 HIS A 115 18.908 10.543 3.640 1.00 12.33 H new ATOM 0 HD2 HIS A 115 21.645 10.836 3.195 1.00 21.05 H new ATOM 0 HE1 HIS A 115 22.983 8.133 6.168 1.00 11.15 H new ATOM 0 HE2 HIS A 115 23.700 9.630 4.244 1.00 22.34 H new ATOM 1802 N HIS A 116 19.037 13.341 4.737 1.00 43.11 N ATOM 1803 CA HIS A 116 19.763 14.614 4.562 1.00 43.21 C ATOM 1804 C HIS A 116 19.089 15.746 5.359 1.00 4.32 C ATOM 1805 O HIS A 116 17.893 16.008 5.215 1.00 63.41 O ATOM 1806 CB HIS A 116 19.955 14.965 3.052 1.00 71.12 C ATOM 1807 CG HIS A 116 18.712 15.277 2.249 1.00 35.12 C ATOM 1808 ND1 HIS A 116 18.029 14.334 1.506 1.00 11.05 N ATOM 1809 CD2 HIS A 116 18.083 16.455 2.006 1.00 34.31 C ATOM 1810 CE1 HIS A 116 17.037 14.919 0.857 1.00 61.44 C ATOM 1811 NE2 HIS A 116 17.045 16.202 1.142 1.00 21.54 N ATOM 0 H HIS A 116 18.223 13.232 4.132 1.00 43.11 H new ATOM 0 HA HIS A 116 20.765 14.493 4.973 1.00 43.21 H new ATOM 0 HB2 HIS A 116 20.623 15.824 2.988 1.00 71.12 H new ATOM 0 HB3 HIS A 116 20.465 14.129 2.573 1.00 71.12 H new ATOM 0 HD2 HIS A 116 18.350 17.417 2.417 1.00 34.31 H new ATOM 0 HE1 HIS A 116 16.336 14.424 0.201 1.00 61.44 H new ATOM 0 HE2 HIS A 116 16.389 16.895 0.781 1.00 21.54 H new ATOM 1820 N HIS A 117 19.877 16.383 6.244 1.00 60.54 N ATOM 1821 CA HIS A 117 19.429 17.544 7.029 1.00 70.14 C ATOM 1822 C HIS A 117 19.249 18.750 6.081 1.00 24.12 C ATOM 1823 O HIS A 117 20.205 19.478 5.798 1.00 74.03 O ATOM 1824 CB HIS A 117 20.434 17.862 8.176 1.00 4.14 C ATOM 1825 CG HIS A 117 20.566 16.766 9.211 1.00 63.54 C ATOM 1826 ND1 HIS A 117 20.136 16.894 10.518 1.00 52.52 N ATOM 1827 CD2 HIS A 117 21.074 15.511 9.116 1.00 53.15 C ATOM 1828 CE1 HIS A 117 20.365 15.766 11.170 1.00 64.54 C ATOM 1829 NE2 HIS A 117 20.932 14.914 10.342 1.00 55.13 N ATOM 0 H HIS A 117 20.840 16.107 6.434 1.00 60.54 H new ATOM 0 HA HIS A 117 18.473 17.319 7.501 1.00 70.14 H new ATOM 0 HB2 HIS A 117 21.415 18.054 7.741 1.00 4.14 H new ATOM 0 HB3 HIS A 117 20.120 18.780 8.674 1.00 4.14 H new ATOM 0 HD2 HIS A 117 21.511 15.064 8.235 1.00 53.15 H new ATOM 0 HE1 HIS A 117 20.127 15.576 12.206 1.00 64.54 H new ATOM 0 HE2 HIS A 117 21.219 13.963 10.575 1.00 55.13 H new ATOM 1838 N HIS A 118 18.016 18.919 5.561 1.00 22.03 N ATOM 1839 CA HIS A 118 17.698 19.883 4.476 1.00 52.35 C ATOM 1840 C HIS A 118 17.505 21.338 4.980 1.00 22.25 C ATOM 1841 O HIS A 118 16.872 22.158 4.304 1.00 63.54 O ATOM 1842 CB HIS A 118 16.475 19.369 3.657 1.00 20.51 C ATOM 1843 CG HIS A 118 15.242 19.077 4.467 1.00 23.01 C ATOM 1844 ND1 HIS A 118 14.376 20.057 4.889 1.00 55.41 N ATOM 1845 CD2 HIS A 118 14.736 17.905 4.938 1.00 0.04 C ATOM 1846 CE1 HIS A 118 13.398 19.510 5.582 1.00 13.32 C ATOM 1847 NE2 HIS A 118 13.590 18.206 5.629 1.00 13.54 N ATOM 0 H HIS A 118 17.205 18.390 5.881 1.00 22.03 H new ATOM 0 HA HIS A 118 18.564 19.934 3.816 1.00 52.35 H new ATOM 0 HB2 HIS A 118 16.226 20.113 2.900 1.00 20.51 H new ATOM 0 HB3 HIS A 118 16.767 18.462 3.128 1.00 20.51 H new ATOM 0 HD2 HIS A 118 15.158 16.921 4.795 1.00 0.04 H new ATOM 0 HE1 HIS A 118 12.575 20.042 6.036 1.00 13.32 H new ATOM 0 HE2 HIS A 118 12.986 17.533 6.101 1.00 13.54 H new ATOM 1856 N HIS A 119 18.097 21.656 6.147 1.00 0.52 N ATOM 1857 CA HIS A 119 18.299 23.044 6.604 1.00 65.12 C ATOM 1858 C HIS A 119 19.425 23.070 7.657 1.00 24.11 C ATOM 1859 O HIS A 119 19.423 22.258 8.591 1.00 61.31 O ATOM 1860 CB HIS A 119 16.994 23.695 7.154 1.00 21.11 C ATOM 1861 CG HIS A 119 16.504 23.184 8.484 1.00 35.53 C ATOM 1862 ND1 HIS A 119 15.908 21.955 8.648 1.00 13.40 N ATOM 1863 CD2 HIS A 119 16.509 23.757 9.720 1.00 51.50 C ATOM 1864 CE1 HIS A 119 15.575 21.792 9.915 1.00 51.00 C ATOM 1865 NE2 HIS A 119 15.926 22.866 10.580 1.00 22.10 N ATOM 0 H HIS A 119 18.449 20.956 6.800 1.00 0.52 H new ATOM 0 HA HIS A 119 18.589 23.645 5.742 1.00 65.12 H new ATOM 0 HB2 HIS A 119 17.157 24.769 7.239 1.00 21.11 H new ATOM 0 HB3 HIS A 119 16.203 23.550 6.419 1.00 21.11 H new ATOM 0 HD2 HIS A 119 16.900 24.731 9.974 1.00 51.50 H new ATOM 0 HE1 HIS A 119 15.094 20.920 10.334 1.00 51.00 H new ATOM 0 HE2 HIS A 119 15.787 23.014 11.580 1.00 22.10 H new ATOM 1874 N HIS A 120 20.402 23.971 7.450 1.00 11.52 N ATOM 1875 CA HIS A 120 21.514 24.234 8.384 1.00 5.34 C ATOM 1876 C HIS A 120 22.260 25.519 7.927 1.00 61.22 C ATOM 1877 O HIS A 120 22.221 26.536 8.648 1.00 22.30 O ATOM 1878 CB HIS A 120 22.491 23.018 8.534 1.00 11.23 C ATOM 1879 CG HIS A 120 23.108 22.493 7.258 1.00 44.52 C ATOM 1880 ND1 HIS A 120 24.315 22.944 6.765 1.00 70.51 N ATOM 1881 CD2 HIS A 120 22.696 21.530 6.396 1.00 11.45 C ATOM 1882 CE1 HIS A 120 24.617 22.280 5.668 1.00 52.13 C ATOM 1883 NE2 HIS A 120 23.655 21.417 5.421 1.00 13.33 N ATOM 1884 OXT HIS A 120 22.819 25.532 6.803 1.00 38.07 O ATOM 0 H HIS A 120 20.442 24.550 6.611 1.00 11.52 H new ATOM 0 HA HIS A 120 21.095 24.387 9.379 1.00 5.34 H new ATOM 0 HB2 HIS A 120 23.296 23.307 9.209 1.00 11.23 H new ATOM 0 HB3 HIS A 120 21.950 22.202 9.014 1.00 11.23 H new ATOM 0 HD2 HIS A 120 21.782 20.958 6.464 1.00 11.45 H new ATOM 0 HE1 HIS A 120 25.506 22.421 5.071 1.00 52.13 H new ATOM 0 HE2 HIS A 120 23.627 20.770 4.633 1.00 13.33 H new TER 1893 HIS A 120