USER MOD reduce.3.24.130724 H: found=0, std=0, add=1576, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1576 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: B 83 ASN : amide:sc= 0.351 X(o=0.35,f=-0.093) USER MOD Set 1.2: B 89 MET CE :methyl -172:sc= 0 (180deg=-0.0404) USER MOD Set 2.1: B 79 LYS NZ :NH3+ -162:sc= 0.521 (180deg=-0.209) USER MOD Set 2.2: B 81 GLN : amide:sc= -0.273 K(o=0.25,f=-2.2) USER MOD Set 3.1: B 19 ASN : amide:sc= -0.0159 K(o=-0.27,f=-2.3!) USER MOD Set 3.2: B 52 SER OG : rot 104:sc= -0.256 USER MOD Set 4.1: A 28 CYS SG : rot -12:sc= -5.39! USER MOD Set 4.2: B 28 CYS SG : rot -161:sc= -7.47! USER MOD Set 5.1: B 16 THR OG1 : rot -10:sc= -0.539 USER MOD Set 5.2: B 53 HIS : no HE2:sc= 0.206 K(o=-0.33,f=-1.7) USER MOD Set 6.1: B 10 ASN : amide:sc= -0.925 K(o=-0.93,f=-7!) USER MOD Set 6.2: B 85 SER OG : rot 140:sc= 0 USER MOD Set 7.1: B 6 THR OG1 : rot 144:sc= 0.49 USER MOD Set 7.2: B 8 HIS : no HD1:sc= 0.428 K(o=0.92,f=0.12) USER MOD Set 8.1: A 83 ASN : amide:sc= 0.237 X(o=0.24,f=-0.091) USER MOD Set 8.2: A 89 MET CE :methyl -174:sc= 0 (180deg=-0.0327) USER MOD Set 9.1: A 79 LYS NZ :NH3+ -163:sc= 0.552 (180deg=-0.234) USER MOD Set 9.2: A 81 GLN : amide:sc= -0.128 K(o=0.42,f=-2.3) USER MOD Set10.1: A 16 THR OG1 : rot -10:sc= -0.553 USER MOD Set10.2: A 53 HIS : no HE2:sc= 0.16 K(o=-0.39,f=-1.8) USER MOD Set11.1: A 19 ASN : amide:sc= 0.00947 K(o=-0.22,f=-2.2!) USER MOD Set11.2: A 52 SER OG : rot 104:sc= -0.229 USER MOD Set12.1: A 5 ASN : amide:sc= 0.314 K(o=0.16,f=-3.6!) USER MOD Set12.2: A 10 ASN : amide:sc= -0.156 K(o=0.16,f=-3!) USER MOD Set12.3: A 85 SER OG : rot 140:sc= 0 USER MOD Set13.1: A 6 THR OG1 : rot 180:sc= 0.37 USER MOD Set13.2: A 8 HIS : no HE2:sc= 0.461 K(o=0.83,f=-3.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=0.000981 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 7 THR OG1 : rot -39:sc= -0.632! USER MOD Single : A 20 HIS : no HD1:sc= -2.96! C(o=-3!,f=-3.3!) USER MOD Single : A 24 MET CE :methyl 147:sc= -0.826 (180deg=-1.83!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.0303 K(o=-0.03,f=-1.4) USER MOD Single : A 37 ASN : amide:sc= 0.195 K(o=0.2,f=-1.6) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.0348 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 49 SER OG : rot -85:sc= 0.335 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.19! C(o=-1.2!,f=-4!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -1.15 K(o=-1.1,f=0.0043) USER MOD Single : A 67 MET CE :methyl -112:sc= -0.738 (180deg=-0.863) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.22 K(o=-2.2,f=-2.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 88 THR OG1 : rot -46:sc= 1 USER MOD Single : A 91 ASN : amide:sc= -0.837 K(o=-0.84,f=-5.6!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -4.22! K(o=-4.2!,f=-0.38) USER MOD Single : B 1 GLY N :NH3+ 171:sc= 0 (180deg=-0.117) USER MOD Single : B 2 SER OG : rot 74:sc= 0.068 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : B 5 ASN : amide:sc= 0.229 X(o=0.23,f=0) USER MOD Single : B 7 THR OG1 : rot 136:sc= -1.32 USER MOD Single : B 20 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-3.3!) USER MOD Single : B 24 MET CE :methyl 146:sc= -0.761 (180deg=-1.45) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 HIS : no HD1:sc= -0.0373 K(o=-0.037,f=-1.3) USER MOD Single : B 37 ASN : amide:sc= 0.156 K(o=0.16,f=-2.9!) USER MOD Single : B 43 CYS SG : rot 180:sc= -0.0243 USER MOD Single : B 47 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : B 49 SER OG : rot -87:sc= 0.45 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 ASN : amide:sc= -0.0113 K(o=-0.011,f=-3.4!) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 66 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.053) USER MOD Single : B 67 MET CE :methyl -111:sc= -0.621 (180deg=-0.787) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 GLN : amide:sc= -2.16 X(o=-2.2,f=-2.4!) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : B 88 THR OG1 : rot -45:sc= 1.1 USER MOD Single : B 91 ASN : amide:sc= -0.798 K(o=-0.8,f=-5.7!) USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 GLN : amide:sc= -0.533 K(o=-0.53,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.708 -0.412 -24.129 1.00 13.34 N ATOM 2 CA GLY A 1 2.079 0.067 -24.423 1.00 63.44 C ATOM 3 C GLY A 1 2.598 0.997 -23.342 1.00 34.55 C ATOM 4 O GLY A 1 2.863 2.175 -23.600 1.00 14.04 O ATOM 0 H1 GLY A 1 0.390 -1.044 -24.891 1.00 13.34 H new ATOM 0 H2 GLY A 1 0.707 -0.929 -23.227 1.00 13.34 H new ATOM 0 H3 GLY A 1 0.063 0.401 -24.062 1.00 13.34 H new ATOM 0 HA2 GLY A 1 2.749 -0.787 -24.519 1.00 63.44 H new ATOM 0 HA3 GLY A 1 2.084 0.586 -25.382 1.00 63.44 H new ATOM 10 N SER A 2 2.713 0.466 -22.110 1.00 62.04 N ATOM 11 CA SER A 2 3.289 1.199 -20.964 1.00 15.13 C ATOM 12 C SER A 2 4.828 1.057 -20.971 1.00 54.33 C ATOM 13 O SER A 2 5.388 0.393 -21.858 1.00 24.34 O ATOM 14 CB SER A 2 2.668 0.665 -19.647 1.00 21.22 C ATOM 15 OG SER A 2 2.804 -0.742 -19.545 1.00 10.32 O ATOM 0 H SER A 2 2.410 -0.481 -21.880 1.00 62.04 H new ATOM 0 HA SER A 2 3.055 2.261 -21.042 1.00 15.13 H new ATOM 0 HB2 SER A 2 3.153 1.142 -18.795 1.00 21.22 H new ATOM 0 HB3 SER A 2 1.613 0.934 -19.605 1.00 21.22 H new ATOM 0 HG SER A 2 2.405 -1.049 -18.704 1.00 10.32 H new ATOM 21 N MET A 3 5.498 1.712 -20.001 1.00 35.21 N ATOM 22 CA MET A 3 6.966 1.640 -19.840 1.00 22.44 C ATOM 23 C MET A 3 7.431 0.176 -19.654 1.00 1.33 C ATOM 24 O MET A 3 6.902 -0.541 -18.794 1.00 60.43 O ATOM 25 CB MET A 3 7.419 2.496 -18.630 1.00 25.55 C ATOM 26 CG MET A 3 7.375 4.016 -18.832 1.00 23.50 C ATOM 27 SD MET A 3 8.576 4.584 -20.059 1.00 42.05 S ATOM 28 CE MET A 3 8.588 6.354 -19.757 1.00 21.22 C ATOM 0 H MET A 3 5.039 2.304 -19.309 1.00 35.21 H new ATOM 0 HA MET A 3 7.424 2.035 -20.747 1.00 22.44 H new ATOM 0 HB2 MET A 3 6.791 2.244 -17.776 1.00 25.55 H new ATOM 0 HB3 MET A 3 8.439 2.213 -18.370 1.00 25.55 H new ATOM 0 HG2 MET A 3 6.373 4.309 -19.146 1.00 23.50 H new ATOM 0 HG3 MET A 3 7.569 4.512 -17.881 1.00 23.50 H new ATOM 0 HE1 MET A 3 9.285 6.835 -20.443 1.00 21.22 H new ATOM 0 HE2 MET A 3 7.588 6.757 -19.915 1.00 21.22 H new ATOM 0 HE3 MET A 3 8.898 6.546 -18.730 1.00 21.22 H new ATOM 38 N GLN A 4 8.399 -0.251 -20.492 1.00 12.22 N ATOM 39 CA GLN A 4 8.946 -1.619 -20.457 1.00 42.33 C ATOM 40 C GLN A 4 9.837 -1.804 -19.213 1.00 11.42 C ATOM 41 O GLN A 4 10.973 -1.309 -19.169 1.00 52.12 O ATOM 42 CB GLN A 4 9.765 -1.938 -21.744 1.00 22.32 C ATOM 43 CG GLN A 4 10.359 -3.373 -21.772 1.00 22.25 C ATOM 44 CD GLN A 4 11.278 -3.681 -22.962 1.00 14.51 C ATOM 45 OE1 GLN A 4 12.213 -4.480 -22.846 1.00 72.13 O ATOM 46 NE2 GLN A 4 11.019 -3.084 -24.120 1.00 33.22 N ATOM 0 H GLN A 4 8.820 0.341 -21.208 1.00 12.22 H new ATOM 0 HA GLN A 4 8.106 -2.311 -20.408 1.00 42.33 H new ATOM 0 HB2 GLN A 4 9.122 -1.804 -22.614 1.00 22.32 H new ATOM 0 HB3 GLN A 4 10.578 -1.217 -21.834 1.00 22.32 H new ATOM 0 HG2 GLN A 4 10.919 -3.534 -20.851 1.00 22.25 H new ATOM 0 HG3 GLN A 4 9.537 -4.089 -21.775 1.00 22.25 H new ATOM 0 HE21 GLN A 4 10.242 -2.428 -24.193 1.00 33.22 H new ATOM 0 HE22 GLN A 4 11.597 -3.282 -24.936 1.00 33.22 H new ATOM 55 N ASN A 5 9.300 -2.486 -18.197 1.00 74.23 N ATOM 56 CA ASN A 5 10.057 -2.866 -17.000 1.00 65.03 C ATOM 57 C ASN A 5 10.414 -4.353 -17.055 1.00 10.23 C ATOM 58 O ASN A 5 9.527 -5.216 -17.086 1.00 24.10 O ATOM 59 CB ASN A 5 9.267 -2.571 -15.699 1.00 4.51 C ATOM 60 CG ASN A 5 10.081 -2.904 -14.432 1.00 3.15 C ATOM 61 OD1 ASN A 5 11.310 -2.747 -14.398 1.00 15.01 O ATOM 62 ND2 ASN A 5 9.417 -3.374 -13.401 1.00 21.02 N ATOM 0 H ASN A 5 8.327 -2.791 -18.181 1.00 74.23 H new ATOM 0 HA ASN A 5 10.967 -2.266 -16.985 1.00 65.03 H new ATOM 0 HB2 ASN A 5 8.983 -1.519 -15.680 1.00 4.51 H new ATOM 0 HB3 ASN A 5 8.344 -3.150 -15.698 1.00 4.51 H new ATOM 0 HD21 ASN A 5 9.913 -3.620 -12.544 1.00 21.02 H new ATOM 0 HD22 ASN A 5 8.406 -3.493 -13.457 1.00 21.02 H new ATOM 69 N THR A 6 11.719 -4.641 -17.104 1.00 31.31 N ATOM 70 CA THR A 6 12.237 -5.979 -16.852 1.00 3.45 C ATOM 71 C THR A 6 12.369 -6.163 -15.324 1.00 71.40 C ATOM 72 O THR A 6 11.661 -6.979 -14.731 1.00 3.00 O ATOM 73 CB THR A 6 13.605 -6.201 -17.581 1.00 61.42 C ATOM 74 OG1 THR A 6 14.558 -5.208 -17.160 1.00 41.04 O ATOM 75 CG2 THR A 6 13.448 -6.132 -19.114 1.00 53.42 C ATOM 0 H THR A 6 12.439 -3.952 -17.319 1.00 31.31 H new ATOM 0 HA THR A 6 11.551 -6.726 -17.251 1.00 3.45 H new ATOM 0 HB THR A 6 13.961 -7.196 -17.313 1.00 61.42 H new ATOM 0 HG1 THR A 6 15.410 -5.356 -17.621 1.00 41.04 H new ATOM 0 HG21 THR A 6 14.417 -6.290 -19.587 1.00 53.42 H new ATOM 0 HG22 THR A 6 12.753 -6.904 -19.444 1.00 53.42 H new ATOM 0 HG23 THR A 6 13.062 -5.152 -19.397 1.00 53.42 H new ATOM 83 N THR A 7 13.235 -5.332 -14.701 1.00 45.00 N ATOM 84 CA THR A 7 13.501 -5.367 -13.249 1.00 63.35 C ATOM 85 C THR A 7 14.348 -4.130 -12.822 1.00 53.02 C ATOM 86 O THR A 7 15.012 -4.147 -11.775 1.00 2.23 O ATOM 87 CB THR A 7 14.209 -6.725 -12.849 1.00 0.14 C ATOM 88 OG1 THR A 7 14.443 -6.792 -11.436 1.00 32.52 O ATOM 89 CG2 THR A 7 15.539 -6.953 -13.602 1.00 34.03 C ATOM 0 H THR A 7 13.769 -4.617 -15.195 1.00 45.00 H new ATOM 0 HA THR A 7 12.552 -5.319 -12.714 1.00 63.35 H new ATOM 0 HB THR A 7 13.520 -7.518 -13.142 1.00 0.14 H new ATOM 0 HG1 THR A 7 14.713 -5.909 -11.107 1.00 32.52 H new ATOM 0 HG21 THR A 7 15.978 -7.899 -13.286 1.00 34.03 H new ATOM 0 HG22 THR A 7 15.349 -6.981 -14.675 1.00 34.03 H new ATOM 0 HG23 THR A 7 16.229 -6.140 -13.376 1.00 34.03 H new ATOM 97 N HIS A 8 14.263 -3.025 -13.602 1.00 3.23 N ATOM 98 CA HIS A 8 15.131 -1.827 -13.396 1.00 74.05 C ATOM 99 C HIS A 8 14.387 -0.509 -13.701 1.00 70.34 C ATOM 100 O HIS A 8 14.816 0.556 -13.267 1.00 22.50 O ATOM 101 CB HIS A 8 16.411 -1.913 -14.287 1.00 22.42 C ATOM 102 CG HIS A 8 16.167 -1.677 -15.772 1.00 22.21 C ATOM 103 ND1 HIS A 8 15.730 -2.661 -16.628 1.00 42.52 N ATOM 104 CD2 HIS A 8 16.267 -0.550 -16.536 1.00 22.44 C ATOM 105 CE1 HIS A 8 15.570 -2.158 -17.837 1.00 40.41 C ATOM 106 NE2 HIS A 8 15.887 -0.885 -17.807 1.00 14.43 N ATOM 0 H HIS A 8 13.607 -2.933 -14.378 1.00 3.23 H new ATOM 0 HA HIS A 8 15.414 -1.823 -12.343 1.00 74.05 H new ATOM 0 HB2 HIS A 8 17.136 -1.181 -13.930 1.00 22.42 H new ATOM 0 HB3 HIS A 8 16.862 -2.897 -14.158 1.00 22.42 H new ATOM 0 HD1 HIS A 8 15.556 -3.632 -16.368 1.00 42.52 H new ATOM 0 HD2 HIS A 8 16.587 0.425 -16.200 1.00 22.44 H new ATOM 0 HE1 HIS A 8 15.234 -2.703 -18.707 1.00 40.41 H new ATOM 115 N ASP A 9 13.316 -0.587 -14.503 1.00 50.52 N ATOM 116 CA ASP A 9 12.556 0.600 -14.959 1.00 24.52 C ATOM 117 C ASP A 9 11.646 1.133 -13.838 1.00 53.44 C ATOM 118 O ASP A 9 11.375 2.339 -13.765 1.00 43.13 O ATOM 119 CB ASP A 9 11.766 0.232 -16.232 1.00 63.51 C ATOM 120 CG ASP A 9 10.832 1.341 -16.748 1.00 24.13 C ATOM 121 OD1 ASP A 9 11.340 2.362 -17.274 1.00 15.35 O ATOM 122 OD2 ASP A 9 9.598 1.193 -16.639 1.00 41.45 O ATOM 0 H ASP A 9 12.947 -1.470 -14.857 1.00 50.52 H new ATOM 0 HA ASP A 9 13.244 1.409 -15.205 1.00 24.52 H new ATOM 0 HB2 ASP A 9 12.473 -0.026 -17.021 1.00 63.51 H new ATOM 0 HB3 ASP A 9 11.173 -0.660 -16.031 1.00 63.51 H new ATOM 127 N ASN A 10 11.209 0.227 -12.948 1.00 51.42 N ATOM 128 CA ASN A 10 10.551 0.604 -11.687 1.00 50.13 C ATOM 129 C ASN A 10 11.626 1.050 -10.670 1.00 51.12 C ATOM 130 O ASN A 10 12.812 0.735 -10.833 1.00 64.44 O ATOM 131 CB ASN A 10 9.688 -0.566 -11.128 1.00 62.20 C ATOM 132 CG ASN A 10 10.480 -1.840 -10.792 1.00 2.12 C ATOM 133 OD1 ASN A 10 11.539 -2.116 -11.368 1.00 64.33 O ATOM 134 ND2 ASN A 10 9.961 -2.656 -9.896 1.00 54.44 N ATOM 0 H ASN A 10 11.301 -0.780 -13.081 1.00 51.42 H new ATOM 0 HA ASN A 10 9.870 1.435 -11.872 1.00 50.13 H new ATOM 0 HB2 ASN A 10 9.175 -0.225 -10.229 1.00 62.20 H new ATOM 0 HB3 ASN A 10 8.918 -0.814 -11.859 1.00 62.20 H new ATOM 0 HD21 ASN A 10 10.434 -3.531 -9.668 1.00 54.44 H new ATOM 0 HD22 ASN A 10 9.087 -2.413 -9.430 1.00 54.44 H new ATOM 141 N VAL A 11 11.207 1.786 -9.628 1.00 51.44 N ATOM 142 CA VAL A 11 12.104 2.359 -8.596 1.00 15.43 C ATOM 143 C VAL A 11 11.474 2.139 -7.215 1.00 53.21 C ATOM 144 O VAL A 11 10.246 2.071 -7.101 1.00 3.45 O ATOM 145 CB VAL A 11 12.403 3.901 -8.811 1.00 11.11 C ATOM 146 CG1 VAL A 11 13.199 4.150 -10.115 1.00 53.11 C ATOM 147 CG2 VAL A 11 11.111 4.749 -8.787 1.00 32.42 C ATOM 0 H VAL A 11 10.223 2.006 -9.471 1.00 51.44 H new ATOM 0 HA VAL A 11 13.062 1.846 -8.676 1.00 15.43 H new ATOM 0 HB VAL A 11 13.022 4.220 -7.972 1.00 11.11 H new ATOM 0 HG11 VAL A 11 13.386 5.218 -10.229 1.00 53.11 H new ATOM 0 HG12 VAL A 11 14.150 3.619 -10.068 1.00 53.11 H new ATOM 0 HG13 VAL A 11 12.623 3.789 -10.967 1.00 53.11 H new ATOM 0 HG21 VAL A 11 11.362 5.799 -8.938 1.00 32.42 H new ATOM 0 HG22 VAL A 11 10.443 4.418 -9.582 1.00 32.42 H new ATOM 0 HG23 VAL A 11 10.615 4.629 -7.824 1.00 32.42 H new ATOM 157 N ILE A 12 12.323 2.009 -6.183 1.00 61.11 N ATOM 158 CA ILE A 12 11.889 1.791 -4.798 1.00 33.45 C ATOM 159 C ILE A 12 11.847 3.148 -4.056 1.00 71.34 C ATOM 160 O ILE A 12 12.869 3.625 -3.543 1.00 72.02 O ATOM 161 CB ILE A 12 12.862 0.814 -4.031 1.00 41.31 C ATOM 162 CG1 ILE A 12 13.105 -0.527 -4.776 1.00 61.22 C ATOM 163 CG2 ILE A 12 12.344 0.530 -2.626 1.00 31.33 C ATOM 164 CD1 ILE A 12 11.946 -1.507 -4.788 1.00 71.34 C ATOM 0 H ILE A 12 13.336 2.053 -6.289 1.00 61.11 H new ATOM 0 HA ILE A 12 10.899 1.336 -4.823 1.00 33.45 H new ATOM 0 HB ILE A 12 13.821 1.330 -3.978 1.00 41.31 H new ATOM 0 HG12 ILE A 12 13.374 -0.302 -5.808 1.00 61.22 H new ATOM 0 HG13 ILE A 12 13.965 -1.020 -4.323 1.00 61.22 H new ATOM 0 HG21 ILE A 12 13.030 -0.146 -2.115 1.00 31.33 H new ATOM 0 HG22 ILE A 12 12.272 1.464 -2.069 1.00 31.33 H new ATOM 0 HG23 ILE A 12 11.359 0.068 -2.688 1.00 31.33 H new ATOM 0 HD11 ILE A 12 12.234 -2.404 -5.336 1.00 71.34 H new ATOM 0 HD12 ILE A 12 11.686 -1.775 -3.764 1.00 71.34 H new ATOM 0 HD13 ILE A 12 11.085 -1.046 -5.272 1.00 71.34 H new ATOM 176 N LEU A 13 10.679 3.792 -4.034 1.00 54.20 N ATOM 177 CA LEU A 13 10.495 5.077 -3.338 1.00 51.24 C ATOM 178 C LEU A 13 10.018 4.828 -1.909 1.00 24.55 C ATOM 179 O LEU A 13 8.820 4.606 -1.689 1.00 31.53 O ATOM 180 CB LEU A 13 9.485 5.970 -4.107 1.00 62.40 C ATOM 181 CG LEU A 13 9.863 6.274 -5.585 1.00 55.10 C ATOM 182 CD1 LEU A 13 8.822 7.173 -6.255 1.00 2.03 C ATOM 183 CD2 LEU A 13 11.273 6.882 -5.690 1.00 71.54 C ATOM 0 H LEU A 13 9.837 3.445 -4.493 1.00 54.20 H new ATOM 0 HA LEU A 13 11.450 5.601 -3.301 1.00 51.24 H new ATOM 0 HB2 LEU A 13 8.509 5.485 -4.091 1.00 62.40 H new ATOM 0 HB3 LEU A 13 9.380 6.915 -3.574 1.00 62.40 H new ATOM 0 HG LEU A 13 9.872 5.325 -6.120 1.00 55.10 H new ATOM 0 HD11 LEU A 13 9.117 7.365 -7.286 1.00 2.03 H new ATOM 0 HD12 LEU A 13 7.851 6.678 -6.242 1.00 2.03 H new ATOM 0 HD13 LEU A 13 8.755 8.117 -5.715 1.00 2.03 H new ATOM 0 HD21 LEU A 13 11.506 7.082 -6.736 1.00 71.54 H new ATOM 0 HD22 LEU A 13 11.311 7.813 -5.125 1.00 71.54 H new ATOM 0 HD23 LEU A 13 12.003 6.181 -5.284 1.00 71.54 H new ATOM 195 N GLU A 14 10.948 4.835 -0.931 1.00 25.53 N ATOM 196 CA GLU A 14 10.572 4.602 0.469 1.00 34.54 C ATOM 197 C GLU A 14 10.185 5.925 1.135 1.00 12.40 C ATOM 198 O GLU A 14 11.021 6.808 1.386 1.00 43.31 O ATOM 199 CB GLU A 14 11.643 3.842 1.291 1.00 3.23 C ATOM 200 CG GLU A 14 13.038 4.470 1.376 1.00 23.22 C ATOM 201 CD GLU A 14 13.936 3.762 2.406 1.00 55.43 C ATOM 202 OE1 GLU A 14 13.898 4.138 3.601 1.00 52.24 O ATOM 203 OE2 GLU A 14 14.661 2.806 2.032 1.00 62.54 O ATOM 0 H GLU A 14 11.943 4.996 -1.085 1.00 25.53 H new ATOM 0 HA GLU A 14 9.707 3.939 0.454 1.00 34.54 H new ATOM 0 HB2 GLU A 14 11.265 3.720 2.306 1.00 3.23 H new ATOM 0 HB3 GLU A 14 11.748 2.843 0.867 1.00 3.23 H new ATOM 0 HG2 GLU A 14 13.512 4.430 0.395 1.00 23.22 H new ATOM 0 HG3 GLU A 14 12.944 5.523 1.642 1.00 23.22 H new ATOM 210 N LEU A 15 8.877 6.076 1.347 1.00 61.31 N ATOM 211 CA LEU A 15 8.324 7.172 2.116 1.00 73.31 C ATOM 212 C LEU A 15 8.102 6.673 3.537 1.00 51.11 C ATOM 213 O LEU A 15 7.248 5.812 3.772 1.00 54.03 O ATOM 214 CB LEU A 15 6.995 7.676 1.507 1.00 40.11 C ATOM 215 CG LEU A 15 7.038 8.085 0.005 1.00 3.44 C ATOM 216 CD1 LEU A 15 5.699 8.696 -0.419 1.00 24.42 C ATOM 217 CD2 LEU A 15 8.208 9.046 -0.289 1.00 60.42 C ATOM 0 H LEU A 15 8.174 5.433 0.984 1.00 61.31 H new ATOM 0 HA LEU A 15 9.016 8.014 2.106 1.00 73.31 H new ATOM 0 HB2 LEU A 15 6.245 6.895 1.628 1.00 40.11 H new ATOM 0 HB3 LEU A 15 6.657 8.535 2.086 1.00 40.11 H new ATOM 0 HG LEU A 15 7.208 7.184 -0.585 1.00 3.44 H new ATOM 0 HD11 LEU A 15 5.744 8.977 -1.471 1.00 24.42 H new ATOM 0 HD12 LEU A 15 4.903 7.966 -0.272 1.00 24.42 H new ATOM 0 HD13 LEU A 15 5.495 9.581 0.184 1.00 24.42 H new ATOM 0 HD21 LEU A 15 8.206 9.309 -1.347 1.00 60.42 H new ATOM 0 HD22 LEU A 15 8.096 9.950 0.310 1.00 60.42 H new ATOM 0 HD23 LEU A 15 9.150 8.559 -0.038 1.00 60.42 H new ATOM 229 N THR A 16 8.880 7.203 4.473 1.00 42.22 N ATOM 230 CA THR A 16 8.735 6.855 5.882 1.00 15.23 C ATOM 231 C THR A 16 7.689 7.780 6.446 1.00 54.02 C ATOM 232 O THR A 16 7.966 8.946 6.655 1.00 43.11 O ATOM 233 CB THR A 16 10.056 7.028 6.679 1.00 12.11 C ATOM 234 OG1 THR A 16 11.072 6.207 6.094 1.00 71.51 O ATOM 235 CG2 THR A 16 9.884 6.685 8.175 1.00 61.23 C ATOM 0 H THR A 16 9.620 7.878 4.281 1.00 42.22 H new ATOM 0 HA THR A 16 8.456 5.805 5.967 1.00 15.23 H new ATOM 0 HB THR A 16 10.348 8.077 6.625 1.00 12.11 H new ATOM 0 HG1 THR A 16 10.668 5.607 5.433 1.00 71.51 H new ATOM 0 HG21 THR A 16 10.834 6.821 8.691 1.00 61.23 H new ATOM 0 HG22 THR A 16 9.135 7.343 8.615 1.00 61.23 H new ATOM 0 HG23 THR A 16 9.561 5.649 8.276 1.00 61.23 H new ATOM 243 N VAL A 17 6.473 7.270 6.598 1.00 22.24 N ATOM 244 CA VAL A 17 5.357 8.052 7.089 1.00 63.30 C ATOM 245 C VAL A 17 4.997 7.604 8.504 1.00 25.12 C ATOM 246 O VAL A 17 5.033 6.416 8.824 1.00 75.51 O ATOM 247 CB VAL A 17 4.113 7.959 6.130 1.00 43.01 C ATOM 248 CG1 VAL A 17 4.539 8.099 4.644 1.00 71.23 C ATOM 249 CG2 VAL A 17 3.257 6.685 6.357 1.00 10.30 C ATOM 0 H VAL A 17 6.238 6.301 6.383 1.00 22.24 H new ATOM 0 HA VAL A 17 5.657 9.099 7.115 1.00 63.30 H new ATOM 0 HB VAL A 17 3.469 8.801 6.383 1.00 43.01 H new ATOM 0 HG11 VAL A 17 3.659 8.031 4.005 1.00 71.23 H new ATOM 0 HG12 VAL A 17 5.023 9.064 4.494 1.00 71.23 H new ATOM 0 HG13 VAL A 17 5.235 7.300 4.388 1.00 71.23 H new ATOM 0 HG21 VAL A 17 2.416 6.683 5.664 1.00 10.30 H new ATOM 0 HG22 VAL A 17 3.870 5.800 6.186 1.00 10.30 H new ATOM 0 HG23 VAL A 17 2.883 6.675 7.381 1.00 10.30 H new ATOM 259 N ARG A 18 4.709 8.570 9.361 1.00 25.25 N ATOM 260 CA ARG A 18 4.079 8.310 10.659 1.00 51.41 C ATOM 261 C ARG A 18 2.564 8.327 10.457 1.00 1.42 C ATOM 262 O ARG A 18 2.059 9.139 9.670 1.00 72.11 O ATOM 263 CB ARG A 18 4.576 9.318 11.726 1.00 23.44 C ATOM 264 CG ARG A 18 4.484 10.808 11.359 1.00 72.34 C ATOM 265 CD ARG A 18 5.160 11.704 12.411 1.00 62.22 C ATOM 266 NE ARG A 18 4.623 11.464 13.774 1.00 50.44 N ATOM 267 CZ ARG A 18 4.080 12.394 14.570 1.00 32.22 C ATOM 268 NH1 ARG A 18 3.978 13.661 14.182 1.00 24.01 N ATOM 269 NH2 ARG A 18 3.642 12.036 15.767 1.00 1.12 N ATOM 0 H ARG A 18 4.902 9.556 9.184 1.00 25.25 H new ATOM 0 HA ARG A 18 4.360 7.330 11.043 1.00 51.41 H new ATOM 0 HB2 ARG A 18 4.005 9.156 12.640 1.00 23.44 H new ATOM 0 HB3 ARG A 18 5.616 9.087 11.955 1.00 23.44 H new ATOM 0 HG2 ARG A 18 4.952 10.972 10.389 1.00 72.34 H new ATOM 0 HG3 ARG A 18 3.437 11.093 11.260 1.00 72.34 H new ATOM 0 HD2 ARG A 18 6.234 11.520 12.407 1.00 62.22 H new ATOM 0 HD3 ARG A 18 5.015 12.751 12.143 1.00 62.22 H new ATOM 0 HE ARG A 18 4.672 10.511 14.134 1.00 50.44 H new ATOM 0 HH11 ARG A 18 4.317 13.941 13.262 1.00 24.01 H new ATOM 0 HH12 ARG A 18 3.561 14.353 14.805 1.00 24.01 H new ATOM 0 HH21 ARG A 18 3.721 11.065 16.070 1.00 1.12 H new ATOM 0 HH22 ARG A 18 3.226 12.731 16.387 1.00 1.12 H new ATOM 283 N ASN A 19 1.855 7.406 11.145 1.00 60.13 N ATOM 284 CA ASN A 19 0.447 7.061 10.843 1.00 1.41 C ATOM 285 C ASN A 19 -0.540 8.176 11.265 1.00 41.54 C ATOM 286 O ASN A 19 -1.181 8.117 12.320 1.00 21.12 O ATOM 287 CB ASN A 19 0.069 5.681 11.470 1.00 55.14 C ATOM 288 CG ASN A 19 0.884 4.496 10.912 1.00 72.01 C ATOM 289 OD1 ASN A 19 2.065 4.625 10.584 1.00 1.05 O ATOM 290 ND2 ASN A 19 0.253 3.332 10.787 1.00 3.13 N ATOM 0 H ASN A 19 2.243 6.879 11.927 1.00 60.13 H new ATOM 0 HA ASN A 19 0.359 6.975 9.760 1.00 1.41 H new ATOM 0 HB2 ASN A 19 0.213 5.732 12.549 1.00 55.14 H new ATOM 0 HB3 ASN A 19 -0.991 5.493 11.298 1.00 55.14 H new ATOM 0 HD21 ASN A 19 0.747 2.522 10.413 1.00 3.13 H new ATOM 0 HD22 ASN A 19 -0.725 3.250 11.065 1.00 3.13 H new ATOM 297 N HIS A 20 -0.601 9.207 10.407 1.00 14.54 N ATOM 298 CA HIS A 20 -1.596 10.296 10.447 1.00 62.33 C ATOM 299 C HIS A 20 -2.943 9.796 9.866 1.00 61.21 C ATOM 300 O HIS A 20 -2.973 8.721 9.254 1.00 64.40 O ATOM 301 CB HIS A 20 -1.067 11.507 9.615 1.00 54.32 C ATOM 302 CG HIS A 20 0.156 12.177 10.171 1.00 2.44 C ATOM 303 ND1 HIS A 20 0.151 12.957 11.305 1.00 10.34 N ATOM 304 CD2 HIS A 20 1.427 12.197 9.721 1.00 25.21 C ATOM 305 CE1 HIS A 20 1.365 13.409 11.528 1.00 43.12 C ATOM 306 NE2 HIS A 20 2.155 12.969 10.578 1.00 5.20 N ATOM 0 H HIS A 20 0.063 9.311 9.639 1.00 14.54 H new ATOM 0 HA HIS A 20 -1.755 10.611 11.478 1.00 62.33 H new ATOM 0 HB2 HIS A 20 -0.847 11.164 8.604 1.00 54.32 H new ATOM 0 HB3 HIS A 20 -1.863 12.247 9.534 1.00 54.32 H new ATOM 0 HD2 HIS A 20 1.801 11.693 8.842 1.00 25.21 H new ATOM 0 HE1 HIS A 20 1.662 14.037 12.355 1.00 43.12 H new ATOM 0 HE2 HIS A 20 3.151 13.171 10.494 1.00 5.20 H new ATOM 315 N PRO A 21 -4.084 10.539 10.073 1.00 50.03 N ATOM 316 CA PRO A 21 -5.393 10.204 9.447 1.00 31.10 C ATOM 317 C PRO A 21 -5.308 9.990 7.907 1.00 63.31 C ATOM 318 O PRO A 21 -5.196 10.955 7.145 1.00 24.50 O ATOM 319 CB PRO A 21 -6.274 11.432 9.806 1.00 12.13 C ATOM 320 CG PRO A 21 -5.704 11.940 11.094 1.00 3.00 C ATOM 321 CD PRO A 21 -4.211 11.723 10.983 1.00 21.13 C ATOM 0 HA PRO A 21 -5.789 9.256 9.811 1.00 31.10 H new ATOM 0 HB2 PRO A 21 -6.231 12.192 9.026 1.00 12.13 H new ATOM 0 HB3 PRO A 21 -7.321 11.150 9.919 1.00 12.13 H new ATOM 0 HG2 PRO A 21 -5.938 12.995 11.239 1.00 3.00 H new ATOM 0 HG3 PRO A 21 -6.117 11.401 11.947 1.00 3.00 H new ATOM 0 HD2 PRO A 21 -3.710 12.599 10.571 1.00 21.13 H new ATOM 0 HD3 PRO A 21 -3.762 11.528 11.957 1.00 21.13 H new ATOM 329 N GLY A 22 -5.295 8.704 7.494 1.00 42.12 N ATOM 330 CA GLY A 22 -5.348 8.303 6.086 1.00 71.24 C ATOM 331 C GLY A 22 -4.145 8.732 5.249 1.00 4.11 C ATOM 332 O GLY A 22 -4.306 9.426 4.236 1.00 21.23 O ATOM 0 H GLY A 22 -5.247 7.915 8.139 1.00 42.12 H new ATOM 0 HA2 GLY A 22 -5.439 7.218 6.036 1.00 71.24 H new ATOM 0 HA3 GLY A 22 -6.250 8.719 5.639 1.00 71.24 H new ATOM 336 N VAL A 23 -2.934 8.310 5.657 1.00 11.11 N ATOM 337 CA VAL A 23 -1.690 8.650 4.927 1.00 75.41 C ATOM 338 C VAL A 23 -1.596 7.880 3.601 1.00 3.15 C ATOM 339 O VAL A 23 -1.103 8.404 2.597 1.00 31.13 O ATOM 340 CB VAL A 23 -0.388 8.347 5.742 1.00 34.34 C ATOM 341 CG1 VAL A 23 0.828 8.992 5.051 1.00 71.23 C ATOM 342 CG2 VAL A 23 -0.500 8.804 7.195 1.00 13.42 C ATOM 0 H VAL A 23 -2.786 7.734 6.486 1.00 11.11 H new ATOM 0 HA VAL A 23 -1.752 9.724 4.753 1.00 75.41 H new ATOM 0 HB VAL A 23 -0.251 7.266 5.763 1.00 34.34 H new ATOM 0 HG11 VAL A 23 1.729 8.776 5.625 1.00 71.23 H new ATOM 0 HG12 VAL A 23 0.932 8.586 4.045 1.00 71.23 H new ATOM 0 HG13 VAL A 23 0.684 10.071 4.994 1.00 71.23 H new ATOM 0 HG21 VAL A 23 0.426 8.573 7.721 1.00 13.42 H new ATOM 0 HG22 VAL A 23 -0.677 9.879 7.226 1.00 13.42 H new ATOM 0 HG23 VAL A 23 -1.330 8.286 7.676 1.00 13.42 H new ATOM 352 N MET A 24 -2.049 6.620 3.630 1.00 13.21 N ATOM 353 CA MET A 24 -2.056 5.745 2.451 1.00 54.10 C ATOM 354 C MET A 24 -2.902 6.353 1.304 1.00 43.43 C ATOM 355 O MET A 24 -2.615 6.115 0.129 1.00 12.05 O ATOM 356 CB MET A 24 -2.516 4.310 2.833 1.00 21.31 C ATOM 357 CG MET A 24 -3.915 4.195 3.468 1.00 13.22 C ATOM 358 SD MET A 24 -4.051 4.939 5.116 1.00 51.43 S ATOM 359 CE MET A 24 -5.758 4.548 5.533 1.00 42.41 C ATOM 0 H MET A 24 -2.421 6.179 4.471 1.00 13.21 H new ATOM 0 HA MET A 24 -1.036 5.665 2.075 1.00 54.10 H new ATOM 0 HB2 MET A 24 -2.495 3.692 1.935 1.00 21.31 H new ATOM 0 HB3 MET A 24 -1.788 3.889 3.527 1.00 21.31 H new ATOM 0 HG2 MET A 24 -4.641 4.669 2.807 1.00 13.22 H new ATOM 0 HG3 MET A 24 -4.185 3.141 3.535 1.00 13.22 H new ATOM 0 HE1 MET A 24 -5.842 4.384 6.607 1.00 42.41 H new ATOM 0 HE2 MET A 24 -6.403 5.377 5.241 1.00 42.41 H new ATOM 0 HE3 MET A 24 -6.064 3.646 5.004 1.00 42.41 H new ATOM 369 N THR A 25 -3.913 7.168 1.671 1.00 33.33 N ATOM 370 CA THR A 25 -4.746 7.913 0.709 1.00 52.33 C ATOM 371 C THR A 25 -3.942 9.075 0.050 1.00 44.43 C ATOM 372 O THR A 25 -4.170 9.444 -1.115 1.00 60.44 O ATOM 373 CB THR A 25 -6.036 8.461 1.416 1.00 13.43 C ATOM 374 OG1 THR A 25 -6.537 7.473 2.342 1.00 73.51 O ATOM 375 CG2 THR A 25 -7.153 8.808 0.406 1.00 55.21 C ATOM 0 H THR A 25 -4.173 7.327 2.644 1.00 33.33 H new ATOM 0 HA THR A 25 -5.047 7.227 -0.083 1.00 52.33 H new ATOM 0 HB THR A 25 -5.756 9.375 1.939 1.00 13.43 H new ATOM 0 HG1 THR A 25 -7.341 7.817 2.784 1.00 73.51 H new ATOM 0 HG21 THR A 25 -8.025 9.183 0.942 1.00 55.21 H new ATOM 0 HG22 THR A 25 -6.795 9.572 -0.284 1.00 55.21 H new ATOM 0 HG23 THR A 25 -7.428 7.914 -0.154 1.00 55.21 H new ATOM 383 N HIS A 26 -2.976 9.627 0.804 1.00 24.24 N ATOM 384 CA HIS A 26 -2.114 10.735 0.338 1.00 45.15 C ATOM 385 C HIS A 26 -1.084 10.211 -0.680 1.00 1.13 C ATOM 386 O HIS A 26 -0.953 10.759 -1.787 1.00 3.54 O ATOM 387 CB HIS A 26 -1.392 11.417 1.541 1.00 24.00 C ATOM 388 CG HIS A 26 -2.310 11.952 2.623 1.00 23.52 C ATOM 389 ND1 HIS A 26 -1.847 12.396 3.842 1.00 63.21 N ATOM 390 CD2 HIS A 26 -3.659 12.119 2.665 1.00 53.21 C ATOM 391 CE1 HIS A 26 -2.858 12.807 4.576 1.00 54.03 C ATOM 392 NE2 HIS A 26 -3.967 12.653 3.887 1.00 2.21 N ATOM 0 H HIS A 26 -2.768 9.320 1.754 1.00 24.24 H new ATOM 0 HA HIS A 26 -2.742 11.481 -0.149 1.00 45.15 H new ATOM 0 HB2 HIS A 26 -0.708 10.697 1.990 1.00 24.00 H new ATOM 0 HB3 HIS A 26 -0.785 12.239 1.162 1.00 24.00 H new ATOM 0 HD2 HIS A 26 -4.358 11.875 1.879 1.00 53.21 H new ATOM 0 HE1 HIS A 26 -2.789 13.205 5.578 1.00 54.03 H new ATOM 0 HE2 HIS A 26 -4.904 12.892 4.210 1.00 2.21 H new ATOM 401 N VAL A 27 -0.391 9.112 -0.311 1.00 31.12 N ATOM 402 CA VAL A 27 0.682 8.529 -1.143 1.00 33.33 C ATOM 403 C VAL A 27 0.115 7.991 -2.481 1.00 61.42 C ATOM 404 O VAL A 27 0.729 8.168 -3.545 1.00 43.42 O ATOM 405 CB VAL A 27 1.505 7.414 -0.370 1.00 1.21 C ATOM 406 CG1 VAL A 27 2.050 7.954 0.979 1.00 54.31 C ATOM 407 CG2 VAL A 27 0.700 6.113 -0.150 1.00 60.33 C ATOM 0 H VAL A 27 -0.557 8.610 0.561 1.00 31.12 H new ATOM 0 HA VAL A 27 1.384 9.331 -1.372 1.00 33.33 H new ATOM 0 HB VAL A 27 2.348 7.158 -1.012 1.00 1.21 H new ATOM 0 HG11 VAL A 27 2.609 7.168 1.486 1.00 54.31 H new ATOM 0 HG12 VAL A 27 2.706 8.804 0.792 1.00 54.31 H new ATOM 0 HG13 VAL A 27 1.217 8.270 1.607 1.00 54.31 H new ATOM 0 HG21 VAL A 27 1.317 5.389 0.383 1.00 60.33 H new ATOM 0 HG22 VAL A 27 -0.192 6.332 0.437 1.00 60.33 H new ATOM 0 HG23 VAL A 27 0.407 5.699 -1.115 1.00 60.33 H new ATOM 417 N CYS A 28 -1.102 7.406 -2.420 1.00 30.30 N ATOM 418 CA CYS A 28 -1.783 6.879 -3.603 1.00 22.03 C ATOM 419 C CYS A 28 -2.232 8.026 -4.520 1.00 31.14 C ATOM 420 O CYS A 28 -2.251 7.861 -5.741 1.00 44.30 O ATOM 421 CB CYS A 28 -2.983 6.029 -3.181 1.00 33.15 C ATOM 422 SG CYS A 28 -4.303 6.942 -2.386 1.00 63.11 S ATOM 0 H CYS A 28 -1.628 7.291 -1.554 1.00 30.30 H new ATOM 0 HA CYS A 28 -1.086 6.251 -4.158 1.00 22.03 H new ATOM 0 HB2 CYS A 28 -3.385 5.529 -4.062 1.00 33.15 H new ATOM 0 HB3 CYS A 28 -2.638 5.250 -2.502 1.00 33.15 H new ATOM 0 HG CYS A 28 -3.885 8.136 -2.086 1.00 63.11 H new ATOM 428 N GLY A 29 -2.578 9.185 -3.902 1.00 53.23 N ATOM 429 CA GLY A 29 -2.938 10.397 -4.640 1.00 74.42 C ATOM 430 C GLY A 29 -1.842 10.872 -5.599 1.00 10.53 C ATOM 431 O GLY A 29 -2.090 10.990 -6.806 1.00 14.10 O ATOM 0 H GLY A 29 -2.611 9.293 -2.888 1.00 53.23 H new ATOM 0 HA2 GLY A 29 -3.851 10.211 -5.206 1.00 74.42 H new ATOM 0 HA3 GLY A 29 -3.160 11.194 -3.930 1.00 74.42 H new ATOM 435 N LEU A 30 -0.616 11.079 -5.063 1.00 70.14 N ATOM 436 CA LEU A 30 0.533 11.602 -5.852 1.00 13.21 C ATOM 437 C LEU A 30 0.963 10.625 -6.971 1.00 23.05 C ATOM 438 O LEU A 30 1.317 11.045 -8.083 1.00 1.35 O ATOM 439 CB LEU A 30 1.743 11.942 -4.929 1.00 23.03 C ATOM 440 CG LEU A 30 1.653 13.288 -4.124 1.00 22.41 C ATOM 441 CD1 LEU A 30 1.419 14.502 -5.056 1.00 44.13 C ATOM 442 CD2 LEU A 30 0.599 13.234 -2.999 1.00 31.52 C ATOM 0 H LEU A 30 -0.393 10.892 -4.085 1.00 70.14 H new ATOM 0 HA LEU A 30 0.194 12.521 -6.330 1.00 13.21 H new ATOM 0 HB2 LEU A 30 1.869 11.126 -4.217 1.00 23.03 H new ATOM 0 HB3 LEU A 30 2.643 11.971 -5.543 1.00 23.03 H new ATOM 0 HG LEU A 30 2.622 13.422 -3.644 1.00 22.41 H new ATOM 0 HD11 LEU A 30 1.363 15.413 -4.460 1.00 44.13 H new ATOM 0 HD12 LEU A 30 2.244 14.582 -5.764 1.00 44.13 H new ATOM 0 HD13 LEU A 30 0.485 14.367 -5.601 1.00 44.13 H new ATOM 0 HD21 LEU A 30 0.578 14.189 -2.474 1.00 31.52 H new ATOM 0 HD22 LEU A 30 -0.382 13.034 -3.429 1.00 31.52 H new ATOM 0 HD23 LEU A 30 0.856 12.440 -2.297 1.00 31.52 H new ATOM 454 N PHE A 31 0.913 9.330 -6.662 1.00 54.51 N ATOM 455 CA PHE A 31 1.331 8.255 -7.589 1.00 10.54 C ATOM 456 C PHE A 31 0.271 7.970 -8.674 1.00 33.33 C ATOM 457 O PHE A 31 0.601 7.442 -9.737 1.00 3.22 O ATOM 458 CB PHE A 31 1.735 7.000 -6.782 1.00 51.42 C ATOM 459 CG PHE A 31 3.087 7.162 -6.070 1.00 70.22 C ATOM 460 CD1 PHE A 31 3.304 8.200 -5.153 1.00 64.41 C ATOM 461 CD2 PHE A 31 4.146 6.298 -6.332 1.00 63.42 C ATOM 462 CE1 PHE A 31 4.524 8.373 -4.539 1.00 41.51 C ATOM 463 CE2 PHE A 31 5.364 6.469 -5.710 1.00 23.11 C ATOM 464 CZ PHE A 31 5.553 7.504 -4.812 1.00 31.22 C ATOM 0 H PHE A 31 0.582 8.986 -5.761 1.00 54.51 H new ATOM 0 HA PHE A 31 2.209 8.590 -8.141 1.00 10.54 H new ATOM 0 HB2 PHE A 31 0.963 6.785 -6.043 1.00 51.42 H new ATOM 0 HB3 PHE A 31 1.783 6.142 -7.452 1.00 51.42 H new ATOM 0 HD1 PHE A 31 2.496 8.879 -4.923 1.00 64.41 H new ATOM 0 HD2 PHE A 31 4.012 5.485 -7.030 1.00 63.42 H new ATOM 0 HE1 PHE A 31 4.672 9.188 -3.846 1.00 41.51 H new ATOM 0 HE2 PHE A 31 6.176 5.790 -5.925 1.00 23.11 H new ATOM 0 HZ PHE A 31 6.509 7.629 -4.326 1.00 31.22 H new ATOM 474 N ALA A 32 -0.994 8.290 -8.386 1.00 15.20 N ATOM 475 CA ALA A 32 -2.090 8.186 -9.374 1.00 44.01 C ATOM 476 C ALA A 32 -2.061 9.349 -10.396 1.00 72.12 C ATOM 477 O ALA A 32 -2.508 9.190 -11.539 1.00 55.43 O ATOM 478 CB ALA A 32 -3.445 8.136 -8.655 1.00 44.43 C ATOM 0 H ALA A 32 -1.293 8.627 -7.471 1.00 15.20 H new ATOM 0 HA ALA A 32 -1.946 7.261 -9.933 1.00 44.01 H new ATOM 0 HB1 ALA A 32 -4.245 8.059 -9.391 1.00 44.43 H new ATOM 0 HB2 ALA A 32 -3.475 7.269 -7.995 1.00 44.43 H new ATOM 0 HB3 ALA A 32 -3.579 9.044 -8.067 1.00 44.43 H new ATOM 484 N ARG A 33 -1.527 10.522 -9.984 1.00 3.00 N ATOM 485 CA ARG A 33 -1.688 11.790 -10.747 1.00 21.53 C ATOM 486 C ARG A 33 -0.433 12.143 -11.560 1.00 55.03 C ATOM 487 O ARG A 33 -0.466 13.073 -12.382 1.00 4.12 O ATOM 488 CB ARG A 33 -2.046 12.951 -9.783 1.00 34.53 C ATOM 489 CG ARG A 33 -0.919 13.345 -8.809 1.00 21.25 C ATOM 490 CD ARG A 33 -1.323 14.440 -7.816 1.00 73.44 C ATOM 491 NE ARG A 33 -1.710 15.692 -8.481 1.00 23.35 N ATOM 492 CZ ARG A 33 -1.941 16.860 -7.859 1.00 12.15 C ATOM 493 NH1 ARG A 33 -1.822 16.964 -6.534 1.00 51.13 N ATOM 494 NH2 ARG A 33 -2.302 17.916 -8.573 1.00 42.12 N ATOM 0 H ARG A 33 -0.981 10.621 -9.128 1.00 3.00 H new ATOM 0 HA ARG A 33 -2.502 11.642 -11.456 1.00 21.53 H new ATOM 0 HB2 ARG A 33 -2.320 13.825 -10.374 1.00 34.53 H new ATOM 0 HB3 ARG A 33 -2.926 12.668 -9.205 1.00 34.53 H new ATOM 0 HG2 ARG A 33 -0.604 12.461 -8.254 1.00 21.25 H new ATOM 0 HG3 ARG A 33 -0.057 13.686 -9.382 1.00 21.25 H new ATOM 0 HD2 ARG A 33 -2.154 14.084 -7.207 1.00 73.44 H new ATOM 0 HD3 ARG A 33 -0.492 14.635 -7.138 1.00 73.44 H new ATOM 0 HE ARG A 33 -1.811 15.673 -9.496 1.00 23.35 H new ATOM 0 HH11 ARG A 33 -1.553 16.151 -5.981 1.00 51.13 H new ATOM 0 HH12 ARG A 33 -2.000 17.857 -6.074 1.00 51.13 H new ATOM 0 HH21 ARG A 33 -2.402 17.837 -9.585 1.00 42.12 H new ATOM 0 HH22 ARG A 33 -2.480 18.808 -8.111 1.00 42.12 H new ATOM 508 N ARG A 34 0.676 11.424 -11.307 1.00 4.25 N ATOM 509 CA ARG A 34 1.933 11.615 -12.048 1.00 72.43 C ATOM 510 C ARG A 34 1.754 11.213 -13.532 1.00 44.24 C ATOM 511 O ARG A 34 2.044 12.013 -14.428 1.00 72.42 O ATOM 512 CB ARG A 34 3.097 10.814 -11.390 1.00 3.13 C ATOM 513 CG ARG A 34 2.784 9.323 -11.071 1.00 61.33 C ATOM 514 CD ARG A 34 3.950 8.371 -11.355 1.00 22.31 C ATOM 515 NE ARG A 34 4.293 8.316 -12.785 1.00 63.21 N ATOM 516 CZ ARG A 34 4.588 7.194 -13.460 1.00 63.14 C ATOM 517 NH1 ARG A 34 4.571 6.017 -12.858 1.00 71.31 N ATOM 518 NH2 ARG A 34 4.914 7.266 -14.742 1.00 55.42 N ATOM 0 H ARG A 34 0.725 10.701 -10.589 1.00 4.25 H new ATOM 0 HA ARG A 34 2.194 12.673 -12.009 1.00 72.43 H new ATOM 0 HB2 ARG A 34 3.962 10.852 -12.052 1.00 3.13 H new ATOM 0 HB3 ARG A 34 3.382 11.314 -10.464 1.00 3.13 H new ATOM 0 HG2 ARG A 34 2.505 9.237 -10.021 1.00 61.33 H new ATOM 0 HG3 ARG A 34 1.920 9.009 -11.657 1.00 61.33 H new ATOM 0 HD2 ARG A 34 4.823 8.691 -10.787 1.00 22.31 H new ATOM 0 HD3 ARG A 34 3.692 7.371 -11.007 1.00 22.31 H new ATOM 0 HE ARG A 34 4.308 9.196 -13.301 1.00 63.21 H new ATOM 0 HH11 ARG A 34 4.332 5.954 -11.869 1.00 71.31 H new ATOM 0 HH12 ARG A 34 4.797 5.172 -13.383 1.00 71.31 H new ATOM 0 HH21 ARG A 34 4.940 8.171 -15.212 1.00 55.42 H new ATOM 0 HH22 ARG A 34 5.139 6.416 -15.259 1.00 55.42 H new ATOM 532 N ALA A 35 1.241 9.980 -13.757 1.00 34.24 N ATOM 533 CA ALA A 35 1.025 9.398 -15.093 1.00 4.05 C ATOM 534 C ALA A 35 0.471 7.972 -14.954 1.00 62.54 C ATOM 535 O ALA A 35 -0.662 7.690 -15.330 1.00 12.30 O ATOM 536 CB ALA A 35 2.322 9.376 -15.930 1.00 40.43 C ATOM 0 H ALA A 35 0.963 9.356 -13.000 1.00 34.24 H new ATOM 0 HA ALA A 35 0.305 10.027 -15.616 1.00 4.05 H new ATOM 0 HB1 ALA A 35 2.117 8.939 -16.907 1.00 40.43 H new ATOM 0 HB2 ALA A 35 2.690 10.394 -16.058 1.00 40.43 H new ATOM 0 HB3 ALA A 35 3.076 8.779 -15.417 1.00 40.43 H new ATOM 542 N PHE A 36 1.295 7.089 -14.373 1.00 13.03 N ATOM 543 CA PHE A 36 1.043 5.633 -14.322 1.00 53.33 C ATOM 544 C PHE A 36 0.851 5.176 -12.861 1.00 31.51 C ATOM 545 O PHE A 36 1.380 5.803 -11.934 1.00 54.31 O ATOM 546 CB PHE A 36 2.242 4.898 -14.983 1.00 62.25 C ATOM 547 CG PHE A 36 2.120 3.375 -15.069 1.00 13.33 C ATOM 548 CD1 PHE A 36 1.161 2.781 -15.891 1.00 24.42 C ATOM 549 CD2 PHE A 36 2.958 2.536 -14.327 1.00 4.43 C ATOM 550 CE1 PHE A 36 1.047 1.405 -15.968 1.00 62.20 C ATOM 551 CE2 PHE A 36 2.842 1.162 -14.406 1.00 34.34 C ATOM 552 CZ PHE A 36 1.888 0.596 -15.228 1.00 53.14 C ATOM 0 H PHE A 36 2.166 7.364 -13.919 1.00 13.03 H new ATOM 0 HA PHE A 36 0.130 5.392 -14.866 1.00 53.33 H new ATOM 0 HB2 PHE A 36 2.375 5.291 -15.991 1.00 62.25 H new ATOM 0 HB3 PHE A 36 3.146 5.141 -14.425 1.00 62.25 H new ATOM 0 HD1 PHE A 36 0.499 3.404 -16.474 1.00 24.42 H new ATOM 0 HD2 PHE A 36 3.708 2.970 -13.682 1.00 4.43 H new ATOM 0 HE1 PHE A 36 0.299 0.962 -16.608 1.00 62.20 H new ATOM 0 HE2 PHE A 36 3.498 0.530 -13.825 1.00 34.34 H new ATOM 0 HZ PHE A 36 1.799 -0.478 -15.293 1.00 53.14 H new ATOM 562 N ASN A 37 0.114 4.058 -12.690 1.00 55.44 N ATOM 563 CA ASN A 37 -0.213 3.458 -11.373 1.00 35.10 C ATOM 564 C ASN A 37 1.039 2.854 -10.692 1.00 21.32 C ATOM 565 O ASN A 37 2.123 2.799 -11.281 1.00 51.23 O ATOM 566 CB ASN A 37 -1.294 2.347 -11.557 1.00 74.51 C ATOM 567 CG ASN A 37 -2.600 2.847 -12.190 1.00 62.01 C ATOM 568 OD1 ASN A 37 -3.022 3.983 -11.973 1.00 72.41 O ATOM 569 ND2 ASN A 37 -3.246 2.000 -12.981 1.00 22.15 N ATOM 0 H ASN A 37 -0.278 3.536 -13.474 1.00 55.44 H new ATOM 0 HA ASN A 37 -0.596 4.251 -10.730 1.00 35.10 H new ATOM 0 HB2 ASN A 37 -0.882 1.552 -12.179 1.00 74.51 H new ATOM 0 HB3 ASN A 37 -1.518 1.908 -10.585 1.00 74.51 H new ATOM 0 HD21 ASN A 37 -4.118 2.284 -13.429 1.00 22.15 H new ATOM 0 HD22 ASN A 37 -2.871 1.065 -13.142 1.00 22.15 H new ATOM 576 N VAL A 38 0.861 2.391 -9.442 1.00 73.42 N ATOM 577 CA VAL A 38 1.917 1.699 -8.683 1.00 74.35 C ATOM 578 C VAL A 38 1.911 0.197 -9.042 1.00 32.43 C ATOM 579 O VAL A 38 0.842 -0.409 -9.183 1.00 62.11 O ATOM 580 CB VAL A 38 1.726 1.872 -7.127 1.00 61.14 C ATOM 581 CG1 VAL A 38 2.884 1.220 -6.339 1.00 4.11 C ATOM 582 CG2 VAL A 38 1.581 3.358 -6.743 1.00 5.42 C ATOM 0 H VAL A 38 -0.017 2.486 -8.931 1.00 73.42 H new ATOM 0 HA VAL A 38 2.874 2.146 -8.954 1.00 74.35 H new ATOM 0 HB VAL A 38 0.803 1.358 -6.857 1.00 61.14 H new ATOM 0 HG11 VAL A 38 2.720 1.358 -5.270 1.00 4.11 H new ATOM 0 HG12 VAL A 38 2.923 0.154 -6.565 1.00 4.11 H new ATOM 0 HG13 VAL A 38 3.827 1.687 -6.625 1.00 4.11 H new ATOM 0 HG21 VAL A 38 1.451 3.444 -5.664 1.00 5.42 H new ATOM 0 HG22 VAL A 38 2.477 3.901 -7.045 1.00 5.42 H new ATOM 0 HG23 VAL A 38 0.713 3.781 -7.248 1.00 5.42 H new ATOM 592 N GLU A 39 3.112 -0.370 -9.213 1.00 3.35 N ATOM 593 CA GLU A 39 3.318 -1.811 -9.459 1.00 22.44 C ATOM 594 C GLU A 39 3.178 -2.610 -8.141 1.00 15.21 C ATOM 595 O GLU A 39 2.375 -3.549 -8.048 1.00 41.31 O ATOM 596 CB GLU A 39 4.734 -2.018 -10.064 1.00 64.44 C ATOM 597 CG GLU A 39 5.117 -3.483 -10.354 1.00 63.01 C ATOM 598 CD GLU A 39 6.611 -3.657 -10.668 1.00 12.31 C ATOM 599 OE1 GLU A 39 7.011 -3.505 -11.842 1.00 52.14 O ATOM 600 OE2 GLU A 39 7.392 -3.924 -9.729 1.00 20.43 O ATOM 0 H GLU A 39 3.982 0.162 -9.185 1.00 3.35 H new ATOM 0 HA GLU A 39 2.562 -2.173 -10.156 1.00 22.44 H new ATOM 0 HB2 GLU A 39 4.801 -1.451 -10.993 1.00 64.44 H new ATOM 0 HB3 GLU A 39 5.469 -1.596 -9.379 1.00 64.44 H new ATOM 0 HG2 GLU A 39 4.857 -4.099 -9.493 1.00 63.01 H new ATOM 0 HG3 GLU A 39 4.529 -3.848 -11.196 1.00 63.01 H new ATOM 607 N GLY A 40 3.966 -2.206 -7.120 1.00 55.32 N ATOM 608 CA GLY A 40 4.035 -2.932 -5.841 1.00 74.34 C ATOM 609 C GLY A 40 4.181 -1.995 -4.653 1.00 20.43 C ATOM 610 O GLY A 40 4.735 -0.914 -4.790 1.00 34.40 O ATOM 0 H GLY A 40 4.562 -1.379 -7.161 1.00 55.32 H new ATOM 0 HA2 GLY A 40 3.134 -3.533 -5.718 1.00 74.34 H new ATOM 0 HA3 GLY A 40 4.878 -3.622 -5.862 1.00 74.34 H new ATOM 614 N ILE A 41 3.674 -2.407 -3.481 1.00 73.44 N ATOM 615 CA ILE A 41 3.692 -1.586 -2.242 1.00 71.10 C ATOM 616 C ILE A 41 4.183 -2.447 -1.067 1.00 44.21 C ATOM 617 O ILE A 41 3.830 -3.628 -0.977 1.00 51.02 O ATOM 618 CB ILE A 41 2.253 -1.009 -1.893 1.00 34.13 C ATOM 619 CG1 ILE A 41 1.652 -0.221 -3.102 1.00 71.21 C ATOM 620 CG2 ILE A 41 2.292 -0.119 -0.622 1.00 24.24 C ATOM 621 CD1 ILE A 41 0.241 0.311 -2.891 1.00 13.45 C ATOM 0 H ILE A 41 3.237 -3.320 -3.357 1.00 73.44 H new ATOM 0 HA ILE A 41 4.364 -0.744 -2.411 1.00 71.10 H new ATOM 0 HB ILE A 41 1.603 -1.859 -1.686 1.00 34.13 H new ATOM 0 HG12 ILE A 41 2.309 0.618 -3.331 1.00 71.21 H new ATOM 0 HG13 ILE A 41 1.651 -0.873 -3.976 1.00 71.21 H new ATOM 0 HG21 ILE A 41 1.292 0.259 -0.412 1.00 24.24 H new ATOM 0 HG22 ILE A 41 2.642 -0.709 0.225 1.00 24.24 H new ATOM 0 HG23 ILE A 41 2.970 0.719 -0.785 1.00 24.24 H new ATOM 0 HD11 ILE A 41 -0.085 0.842 -3.785 1.00 13.45 H new ATOM 0 HD12 ILE A 41 -0.436 -0.521 -2.695 1.00 13.45 H new ATOM 0 HD13 ILE A 41 0.233 0.993 -2.041 1.00 13.45 H new ATOM 633 N LEU A 42 4.992 -1.853 -0.173 1.00 24.25 N ATOM 634 CA LEU A 42 5.408 -2.507 1.078 1.00 31.50 C ATOM 635 C LEU A 42 5.409 -1.492 2.238 1.00 75.44 C ATOM 636 O LEU A 42 6.366 -0.749 2.416 1.00 55.42 O ATOM 637 CB LEU A 42 6.811 -3.161 0.915 1.00 64.13 C ATOM 638 CG LEU A 42 7.399 -3.859 2.189 1.00 41.41 C ATOM 639 CD1 LEU A 42 6.512 -5.017 2.680 1.00 32.43 C ATOM 640 CD2 LEU A 42 8.838 -4.325 1.939 1.00 40.44 C ATOM 0 H LEU A 42 5.373 -0.915 -0.296 1.00 24.25 H new ATOM 0 HA LEU A 42 4.693 -3.296 1.312 1.00 31.50 H new ATOM 0 HB2 LEU A 42 6.755 -3.899 0.115 1.00 64.13 H new ATOM 0 HB3 LEU A 42 7.512 -2.392 0.591 1.00 64.13 H new ATOM 0 HG LEU A 42 7.415 -3.117 2.987 1.00 41.41 H new ATOM 0 HD11 LEU A 42 6.961 -5.469 3.564 1.00 32.43 H new ATOM 0 HD12 LEU A 42 5.522 -4.636 2.930 1.00 32.43 H new ATOM 0 HD13 LEU A 42 6.424 -5.767 1.894 1.00 32.43 H new ATOM 0 HD21 LEU A 42 9.226 -4.806 2.837 1.00 40.44 H new ATOM 0 HD22 LEU A 42 8.852 -5.035 1.112 1.00 40.44 H new ATOM 0 HD23 LEU A 42 9.461 -3.466 1.690 1.00 40.44 H new ATOM 652 N CYS A 43 4.304 -1.436 2.998 1.00 30.03 N ATOM 653 CA CYS A 43 4.226 -0.660 4.246 1.00 11.21 C ATOM 654 C CYS A 43 4.636 -1.562 5.419 1.00 21.23 C ATOM 655 O CYS A 43 3.894 -2.476 5.796 1.00 74.31 O ATOM 656 CB CYS A 43 2.807 -0.097 4.460 1.00 43.14 C ATOM 657 SG CYS A 43 2.601 0.871 5.975 1.00 2.24 S ATOM 0 H CYS A 43 3.441 -1.927 2.765 1.00 30.03 H new ATOM 0 HA CYS A 43 4.906 0.189 4.184 1.00 11.21 H new ATOM 0 HB2 CYS A 43 2.546 0.529 3.606 1.00 43.14 H new ATOM 0 HB3 CYS A 43 2.100 -0.926 4.475 1.00 43.14 H new ATOM 0 HG CYS A 43 1.375 1.297 6.055 1.00 2.24 H new ATOM 663 N LEU A 44 5.842 -1.325 5.947 1.00 14.12 N ATOM 664 CA LEU A 44 6.412 -2.078 7.072 1.00 30.54 C ATOM 665 C LEU A 44 6.335 -1.191 8.332 1.00 11.32 C ATOM 666 O LEU A 44 7.077 -0.190 8.420 1.00 5.25 O ATOM 667 CB LEU A 44 7.878 -2.441 6.751 1.00 33.13 C ATOM 668 CG LEU A 44 8.618 -3.438 7.700 1.00 33.23 C ATOM 669 CD1 LEU A 44 8.140 -4.883 7.473 1.00 24.24 C ATOM 670 CD2 LEU A 44 10.148 -3.334 7.521 1.00 12.54 C ATOM 0 H LEU A 44 6.461 -0.592 5.599 1.00 14.12 H new ATOM 0 HA LEU A 44 5.858 -3.001 7.242 1.00 30.54 H new ATOM 0 HB2 LEU A 44 7.905 -2.858 5.744 1.00 33.13 H new ATOM 0 HB3 LEU A 44 8.453 -1.515 6.728 1.00 33.13 H new ATOM 0 HG LEU A 44 8.374 -3.163 8.726 1.00 33.23 H new ATOM 0 HD11 LEU A 44 8.673 -5.553 8.148 1.00 24.24 H new ATOM 0 HD12 LEU A 44 7.070 -4.947 7.669 1.00 24.24 H new ATOM 0 HD13 LEU A 44 8.338 -5.174 6.441 1.00 24.24 H new ATOM 0 HD21 LEU A 44 10.641 -4.037 8.192 1.00 12.54 H new ATOM 0 HD22 LEU A 44 10.411 -3.571 6.490 1.00 12.54 H new ATOM 0 HD23 LEU A 44 10.474 -2.320 7.755 1.00 12.54 H new ATOM 682 N PRO A 45 5.402 -1.502 9.291 1.00 53.10 N ATOM 683 CA PRO A 45 5.261 -0.725 10.544 1.00 22.30 C ATOM 684 C PRO A 45 6.498 -0.885 11.459 1.00 41.21 C ATOM 685 O PRO A 45 6.898 -2.006 11.805 1.00 63.35 O ATOM 686 CB PRO A 45 3.973 -1.299 11.192 1.00 61.25 C ATOM 687 CG PRO A 45 3.841 -2.686 10.627 1.00 22.50 C ATOM 688 CD PRO A 45 4.400 -2.614 9.220 1.00 2.44 C ATOM 0 HA PRO A 45 5.191 0.349 10.369 1.00 22.30 H new ATOM 0 HB2 PRO A 45 4.054 -1.321 12.279 1.00 61.25 H new ATOM 0 HB3 PRO A 45 3.103 -0.689 10.949 1.00 61.25 H new ATOM 0 HG2 PRO A 45 4.392 -3.408 11.230 1.00 22.50 H new ATOM 0 HG3 PRO A 45 2.799 -3.007 10.618 1.00 22.50 H new ATOM 0 HD2 PRO A 45 4.866 -3.554 8.926 1.00 2.44 H new ATOM 0 HD3 PRO A 45 3.619 -2.403 8.489 1.00 2.44 H new ATOM 696 N ILE A 46 7.110 0.253 11.803 1.00 3.01 N ATOM 697 CA ILE A 46 8.314 0.316 12.640 1.00 43.54 C ATOM 698 C ILE A 46 7.931 0.165 14.130 1.00 44.11 C ATOM 699 O ILE A 46 7.019 0.841 14.613 1.00 40.41 O ATOM 700 CB ILE A 46 9.081 1.662 12.382 1.00 61.42 C ATOM 701 CG1 ILE A 46 9.480 1.788 10.870 1.00 72.24 C ATOM 702 CG2 ILE A 46 10.313 1.819 13.301 1.00 4.12 C ATOM 703 CD1 ILE A 46 10.345 0.659 10.324 1.00 64.35 C ATOM 0 H ILE A 46 6.778 1.170 11.504 1.00 3.01 H new ATOM 0 HA ILE A 46 8.979 -0.506 12.377 1.00 43.54 H new ATOM 0 HB ILE A 46 8.401 2.477 12.629 1.00 61.42 H new ATOM 0 HG12 ILE A 46 8.568 1.844 10.275 1.00 72.24 H new ATOM 0 HG13 ILE A 46 10.011 2.730 10.730 1.00 72.24 H new ATOM 0 HG21 ILE A 46 10.810 2.765 13.085 1.00 4.12 H new ATOM 0 HG22 ILE A 46 9.994 1.807 14.343 1.00 4.12 H new ATOM 0 HG23 ILE A 46 11.006 0.996 13.124 1.00 4.12 H new ATOM 0 HD11 ILE A 46 10.563 0.844 9.272 1.00 64.35 H new ATOM 0 HD12 ILE A 46 11.278 0.612 10.885 1.00 64.35 H new ATOM 0 HD13 ILE A 46 9.813 -0.287 10.424 1.00 64.35 H new ATOM 715 N GLN A 47 8.639 -0.738 14.835 1.00 71.50 N ATOM 716 CA GLN A 47 8.370 -1.090 16.242 1.00 33.20 C ATOM 717 C GLN A 47 8.730 0.066 17.192 1.00 73.40 C ATOM 718 O GLN A 47 7.881 0.553 17.945 1.00 52.35 O ATOM 719 CB GLN A 47 9.167 -2.384 16.620 1.00 31.22 C ATOM 720 CG GLN A 47 9.357 -2.619 18.142 1.00 75.15 C ATOM 721 CD GLN A 47 9.981 -3.972 18.495 1.00 1.01 C ATOM 722 OE1 GLN A 47 9.771 -4.966 17.810 1.00 30.13 O ATOM 723 NE2 GLN A 47 10.759 -4.022 19.566 1.00 44.15 N ATOM 0 H GLN A 47 9.426 -1.251 14.437 1.00 71.50 H new ATOM 0 HA GLN A 47 7.302 -1.279 16.352 1.00 33.20 H new ATOM 0 HB2 GLN A 47 8.652 -3.246 16.197 1.00 31.22 H new ATOM 0 HB3 GLN A 47 10.149 -2.337 16.150 1.00 31.22 H new ATOM 0 HG2 GLN A 47 9.986 -1.825 18.545 1.00 75.15 H new ATOM 0 HG3 GLN A 47 8.388 -2.539 18.634 1.00 75.15 H new ATOM 0 HE21 GLN A 47 10.919 -3.181 20.120 1.00 44.15 H new ATOM 0 HE22 GLN A 47 11.199 -4.902 19.836 1.00 44.15 H new ATOM 732 N ASP A 48 9.995 0.498 17.113 1.00 73.24 N ATOM 733 CA ASP A 48 10.636 1.388 18.112 1.00 54.25 C ATOM 734 C ASP A 48 10.082 2.821 18.116 1.00 12.44 C ATOM 735 O ASP A 48 10.291 3.558 19.084 1.00 40.31 O ATOM 736 CB ASP A 48 12.161 1.409 17.861 1.00 60.22 C ATOM 737 CG ASP A 48 12.523 1.844 16.428 1.00 53.33 C ATOM 738 OD1 ASP A 48 12.568 0.971 15.535 1.00 41.15 O ATOM 739 OD2 ASP A 48 12.746 3.053 16.177 1.00 24.23 O ATOM 0 H ASP A 48 10.617 0.241 16.347 1.00 73.24 H new ATOM 0 HA ASP A 48 10.407 0.979 19.096 1.00 54.25 H new ATOM 0 HB2 ASP A 48 12.633 2.087 18.572 1.00 60.22 H new ATOM 0 HB3 ASP A 48 12.569 0.416 18.049 1.00 60.22 H new ATOM 744 N SER A 49 9.387 3.208 17.043 1.00 0.23 N ATOM 745 CA SER A 49 8.879 4.576 16.872 1.00 42.24 C ATOM 746 C SER A 49 7.591 4.568 16.040 1.00 30.22 C ATOM 747 O SER A 49 7.376 3.649 15.236 1.00 24.13 O ATOM 748 CB SER A 49 9.975 5.455 16.221 1.00 72.23 C ATOM 749 OG SER A 49 10.517 4.826 15.071 1.00 71.35 O ATOM 0 H SER A 49 9.160 2.585 16.268 1.00 0.23 H new ATOM 0 HA SER A 49 8.633 5.000 17.846 1.00 42.24 H new ATOM 0 HB2 SER A 49 9.554 6.422 15.946 1.00 72.23 H new ATOM 0 HB3 SER A 49 10.769 5.646 16.943 1.00 72.23 H new ATOM 0 HG SER A 49 11.228 4.208 15.341 1.00 71.35 H new ATOM 755 N ASP A 50 6.728 5.584 16.260 1.00 34.31 N ATOM 756 CA ASP A 50 5.458 5.738 15.534 1.00 14.25 C ATOM 757 C ASP A 50 5.737 6.199 14.088 1.00 55.34 C ATOM 758 O ASP A 50 5.774 7.390 13.786 1.00 20.43 O ATOM 759 CB ASP A 50 4.475 6.698 16.292 1.00 0.03 C ATOM 760 CG ASP A 50 5.015 8.128 16.541 1.00 34.12 C ATOM 761 OD1 ASP A 50 5.972 8.276 17.333 1.00 71.05 O ATOM 762 OD2 ASP A 50 4.486 9.111 15.952 1.00 40.23 O ATOM 0 H ASP A 50 6.897 6.318 16.947 1.00 34.31 H new ATOM 0 HA ASP A 50 4.957 4.771 15.487 1.00 14.25 H new ATOM 0 HB2 ASP A 50 3.550 6.770 15.721 1.00 0.03 H new ATOM 0 HB3 ASP A 50 4.222 6.249 17.253 1.00 0.03 H new ATOM 767 N LYS A 51 6.044 5.217 13.225 1.00 71.20 N ATOM 768 CA LYS A 51 6.291 5.424 11.790 1.00 25.01 C ATOM 769 C LYS A 51 6.232 4.081 11.059 1.00 63.10 C ATOM 770 O LYS A 51 6.105 3.023 11.682 1.00 1.45 O ATOM 771 CB LYS A 51 7.658 6.146 11.550 1.00 72.22 C ATOM 772 CG LYS A 51 8.900 5.380 12.068 1.00 70.53 C ATOM 773 CD LYS A 51 10.211 6.210 12.009 1.00 72.43 C ATOM 774 CE LYS A 51 10.162 7.471 12.891 1.00 71.31 C ATOM 775 NZ LYS A 51 11.486 8.150 12.981 1.00 54.10 N ATOM 0 H LYS A 51 6.129 4.241 13.510 1.00 71.20 H new ATOM 0 HA LYS A 51 5.513 6.073 11.388 1.00 25.01 H new ATOM 0 HB2 LYS A 51 7.777 6.321 10.481 1.00 72.22 H new ATOM 0 HB3 LYS A 51 7.625 7.123 12.031 1.00 72.22 H new ATOM 0 HG2 LYS A 51 8.722 5.070 13.098 1.00 70.53 H new ATOM 0 HG3 LYS A 51 9.028 4.472 11.479 1.00 70.53 H new ATOM 0 HD2 LYS A 51 11.046 5.584 12.325 1.00 72.43 H new ATOM 0 HD3 LYS A 51 10.404 6.502 10.977 1.00 72.43 H new ATOM 0 HE2 LYS A 51 9.426 8.166 12.487 1.00 71.31 H new ATOM 0 HE3 LYS A 51 9.827 7.199 13.892 1.00 71.31 H new ATOM 0 HZ1 LYS A 51 11.404 8.993 13.585 1.00 54.10 H new ATOM 0 HZ2 LYS A 51 12.184 7.497 13.391 1.00 54.10 H new ATOM 0 HZ3 LYS A 51 11.796 8.434 12.030 1.00 54.10 H new ATOM 789 N SER A 52 6.323 4.156 9.735 1.00 12.51 N ATOM 790 CA SER A 52 6.279 3.016 8.824 1.00 33.11 C ATOM 791 C SER A 52 7.008 3.432 7.544 1.00 51.22 C ATOM 792 O SER A 52 6.785 4.539 7.064 1.00 71.20 O ATOM 793 CB SER A 52 4.807 2.645 8.490 1.00 72.45 C ATOM 794 OG SER A 52 4.058 2.311 9.652 1.00 24.13 O ATOM 0 H SER A 52 6.434 5.046 9.248 1.00 12.51 H new ATOM 0 HA SER A 52 6.750 2.146 9.281 1.00 33.11 H new ATOM 0 HB2 SER A 52 4.330 3.483 7.981 1.00 72.45 H new ATOM 0 HB3 SER A 52 4.795 1.803 7.798 1.00 72.45 H new ATOM 0 HG SER A 52 3.469 3.058 9.888 1.00 24.13 H new ATOM 800 N HIS A 53 7.890 2.585 7.005 1.00 53.23 N ATOM 801 CA HIS A 53 8.508 2.857 5.685 1.00 3.50 C ATOM 802 C HIS A 53 7.657 2.165 4.611 1.00 70.42 C ATOM 803 O HIS A 53 7.343 0.981 4.746 1.00 55.43 O ATOM 804 CB HIS A 53 9.964 2.344 5.590 1.00 45.24 C ATOM 805 CG HIS A 53 10.989 3.033 6.446 1.00 75.22 C ATOM 806 ND1 HIS A 53 12.212 3.453 5.955 1.00 71.54 N ATOM 807 CD2 HIS A 53 11.008 3.323 7.768 1.00 1.15 C ATOM 808 CE1 HIS A 53 12.926 3.964 6.931 1.00 2.31 C ATOM 809 NE2 HIS A 53 12.219 3.897 8.041 1.00 23.34 N ATOM 0 H HIS A 53 8.194 1.717 7.446 1.00 53.23 H new ATOM 0 HA HIS A 53 8.541 3.937 5.541 1.00 3.50 H new ATOM 0 HB2 HIS A 53 9.967 1.284 5.845 1.00 45.24 H new ATOM 0 HB3 HIS A 53 10.283 2.422 4.551 1.00 45.24 H new ATOM 0 HD1 HIS A 53 12.513 3.377 4.983 1.00 71.54 H new ATOM 0 HD2 HIS A 53 10.214 3.136 8.476 1.00 1.15 H new ATOM 0 HE1 HIS A 53 13.923 4.370 6.840 1.00 2.31 H new ATOM 818 N ILE A 54 7.262 2.912 3.569 1.00 12.13 N ATOM 819 CA ILE A 54 6.454 2.382 2.463 1.00 73.02 C ATOM 820 C ILE A 54 7.321 2.393 1.196 1.00 71.23 C ATOM 821 O ILE A 54 7.552 3.457 0.619 1.00 33.42 O ATOM 822 CB ILE A 54 5.102 3.186 2.207 1.00 20.54 C ATOM 823 CG1 ILE A 54 4.145 3.186 3.448 1.00 71.35 C ATOM 824 CG2 ILE A 54 4.348 2.591 0.996 1.00 4.54 C ATOM 825 CD1 ILE A 54 4.598 3.999 4.634 1.00 35.32 C ATOM 0 H ILE A 54 7.494 3.900 3.470 1.00 12.13 H new ATOM 0 HA ILE A 54 6.145 1.372 2.733 1.00 73.02 H new ATOM 0 HB ILE A 54 5.392 4.218 2.011 1.00 20.54 H new ATOM 0 HG12 ILE A 54 3.171 3.557 3.130 1.00 71.35 H new ATOM 0 HG13 ILE A 54 4.004 2.155 3.772 1.00 71.35 H new ATOM 0 HG21 ILE A 54 3.426 3.149 0.831 1.00 4.54 H new ATOM 0 HG22 ILE A 54 4.976 2.658 0.108 1.00 4.54 H new ATOM 0 HG23 ILE A 54 4.109 1.546 1.194 1.00 4.54 H new ATOM 0 HD11 ILE A 54 3.858 3.924 5.431 1.00 35.32 H new ATOM 0 HD12 ILE A 54 5.555 3.619 4.991 1.00 35.32 H new ATOM 0 HD13 ILE A 54 4.709 5.042 4.339 1.00 35.32 H new ATOM 837 N TRP A 55 7.807 1.206 0.779 1.00 2.51 N ATOM 838 CA TRP A 55 8.623 1.062 -0.434 1.00 71.41 C ATOM 839 C TRP A 55 7.662 0.900 -1.630 1.00 14.31 C ATOM 840 O TRP A 55 7.038 -0.156 -1.814 1.00 63.32 O ATOM 841 CB TRP A 55 9.597 -0.151 -0.305 1.00 64.31 C ATOM 842 CG TRP A 55 10.646 0.004 0.799 1.00 25.52 C ATOM 843 CD1 TRP A 55 11.918 0.496 0.693 1.00 40.20 C ATOM 844 CD2 TRP A 55 10.503 -0.358 2.168 1.00 0.12 C ATOM 845 NE1 TRP A 55 12.548 0.487 1.909 1.00 42.02 N ATOM 846 CE2 TRP A 55 11.704 -0.042 2.833 1.00 11.13 C ATOM 847 CE3 TRP A 55 9.474 -0.905 2.887 1.00 22.11 C ATOM 848 CZ2 TRP A 55 11.886 -0.277 4.192 1.00 30.43 C ATOM 849 CZ3 TRP A 55 9.649 -1.139 4.216 1.00 11.12 C ATOM 850 CH2 TRP A 55 10.845 -0.828 4.869 1.00 53.22 C ATOM 0 H TRP A 55 7.644 0.329 1.273 1.00 2.51 H new ATOM 0 HA TRP A 55 9.246 1.944 -0.584 1.00 71.41 H new ATOM 0 HB2 TRP A 55 9.014 -1.052 -0.114 1.00 64.31 H new ATOM 0 HB3 TRP A 55 10.106 -0.297 -1.257 1.00 64.31 H new ATOM 0 HD1 TRP A 55 12.365 0.845 -0.226 1.00 40.20 H new ATOM 0 HE1 TRP A 55 13.494 0.822 2.091 1.00 42.02 H new ATOM 0 HE3 TRP A 55 8.538 -1.147 2.406 1.00 22.11 H new ATOM 0 HZ2 TRP A 55 12.814 -0.032 4.687 1.00 30.43 H new ATOM 0 HZ3 TRP A 55 8.841 -1.578 4.782 1.00 11.12 H new ATOM 0 HH2 TRP A 55 10.943 -1.028 5.926 1.00 53.22 H new ATOM 861 N LEU A 56 7.479 2.012 -2.364 1.00 4.42 N ATOM 862 CA LEU A 56 6.576 2.108 -3.520 1.00 10.33 C ATOM 863 C LEU A 56 7.340 1.822 -4.827 1.00 10.21 C ATOM 864 O LEU A 56 8.217 2.588 -5.227 1.00 51.14 O ATOM 865 CB LEU A 56 5.920 3.519 -3.552 1.00 60.21 C ATOM 866 CG LEU A 56 4.875 3.789 -2.424 1.00 24.25 C ATOM 867 CD1 LEU A 56 4.493 5.276 -2.317 1.00 64.45 C ATOM 868 CD2 LEU A 56 3.622 2.916 -2.629 1.00 40.42 C ATOM 0 H LEU A 56 7.966 2.886 -2.164 1.00 4.42 H new ATOM 0 HA LEU A 56 5.790 1.359 -3.426 1.00 10.33 H new ATOM 0 HB2 LEU A 56 6.707 4.270 -3.484 1.00 60.21 H new ATOM 0 HB3 LEU A 56 5.433 3.654 -4.517 1.00 60.21 H new ATOM 0 HG LEU A 56 5.346 3.517 -1.480 1.00 24.25 H new ATOM 0 HD11 LEU A 56 3.764 5.408 -1.518 1.00 64.45 H new ATOM 0 HD12 LEU A 56 5.383 5.865 -2.097 1.00 64.45 H new ATOM 0 HD13 LEU A 56 4.061 5.609 -3.261 1.00 64.45 H new ATOM 0 HD21 LEU A 56 2.904 3.117 -1.834 1.00 40.42 H new ATOM 0 HD22 LEU A 56 3.170 3.149 -3.593 1.00 40.42 H new ATOM 0 HD23 LEU A 56 3.904 1.863 -2.605 1.00 40.42 H new ATOM 880 N LEU A 57 6.978 0.709 -5.473 1.00 0.50 N ATOM 881 CA LEU A 57 7.539 0.272 -6.757 1.00 21.11 C ATOM 882 C LEU A 57 6.718 0.914 -7.871 1.00 31.34 C ATOM 883 O LEU A 57 5.565 0.539 -8.086 1.00 63.02 O ATOM 884 CB LEU A 57 7.492 -1.280 -6.903 1.00 74.34 C ATOM 885 CG LEU A 57 8.525 -2.106 -6.075 1.00 53.14 C ATOM 886 CD1 LEU A 57 8.390 -1.870 -4.558 1.00 20.44 C ATOM 887 CD2 LEU A 57 8.415 -3.600 -6.423 1.00 14.35 C ATOM 0 H LEU A 57 6.270 0.071 -5.109 1.00 0.50 H new ATOM 0 HA LEU A 57 8.584 0.576 -6.813 1.00 21.11 H new ATOM 0 HB2 LEU A 57 6.492 -1.615 -6.627 1.00 74.34 H new ATOM 0 HB3 LEU A 57 7.630 -1.525 -7.956 1.00 74.34 H new ATOM 0 HG LEU A 57 9.520 -1.756 -6.351 1.00 53.14 H new ATOM 0 HD11 LEU A 57 9.132 -2.468 -4.029 1.00 20.44 H new ATOM 0 HD12 LEU A 57 8.551 -0.815 -4.338 1.00 20.44 H new ATOM 0 HD13 LEU A 57 7.391 -2.160 -4.232 1.00 20.44 H new ATOM 0 HD21 LEU A 57 9.141 -4.164 -5.838 1.00 14.35 H new ATOM 0 HD22 LEU A 57 7.410 -3.954 -6.193 1.00 14.35 H new ATOM 0 HD23 LEU A 57 8.615 -3.742 -7.485 1.00 14.35 H new ATOM 899 N VAL A 58 7.314 1.903 -8.539 1.00 52.01 N ATOM 900 CA VAL A 58 6.674 2.648 -9.638 1.00 23.13 C ATOM 901 C VAL A 58 7.757 3.036 -10.649 1.00 21.42 C ATOM 902 O VAL A 58 8.909 3.198 -10.264 1.00 3.24 O ATOM 903 CB VAL A 58 5.942 3.940 -9.085 1.00 25.43 C ATOM 904 CG1 VAL A 58 6.934 5.051 -8.652 1.00 52.23 C ATOM 905 CG2 VAL A 58 4.891 4.472 -10.081 1.00 63.21 C ATOM 0 H VAL A 58 8.263 2.216 -8.335 1.00 52.01 H new ATOM 0 HA VAL A 58 5.921 2.024 -10.119 1.00 23.13 H new ATOM 0 HB VAL A 58 5.413 3.630 -8.184 1.00 25.43 H new ATOM 0 HG11 VAL A 58 6.377 5.912 -8.282 1.00 52.23 H new ATOM 0 HG12 VAL A 58 7.583 4.672 -7.863 1.00 52.23 H new ATOM 0 HG13 VAL A 58 7.540 5.351 -9.507 1.00 52.23 H new ATOM 0 HG21 VAL A 58 4.411 5.358 -9.665 1.00 63.21 H new ATOM 0 HG22 VAL A 58 5.379 4.731 -11.021 1.00 63.21 H new ATOM 0 HG23 VAL A 58 4.139 3.704 -10.262 1.00 63.21 H new ATOM 915 N ASN A 59 7.421 3.158 -11.934 1.00 52.33 N ATOM 916 CA ASN A 59 8.398 3.634 -12.936 1.00 31.45 C ATOM 917 C ASN A 59 8.507 5.174 -12.865 1.00 2.34 C ATOM 918 O ASN A 59 7.491 5.874 -12.887 1.00 65.11 O ATOM 919 CB ASN A 59 8.072 3.099 -14.364 1.00 74.34 C ATOM 920 CG ASN A 59 6.618 3.265 -14.830 1.00 44.15 C ATOM 921 OD1 ASN A 59 5.917 4.210 -14.482 1.00 50.23 O ATOM 922 ND2 ASN A 59 6.148 2.321 -15.628 1.00 72.42 N ATOM 0 H ASN A 59 6.498 2.940 -12.309 1.00 52.33 H new ATOM 0 HA ASN A 59 9.381 3.227 -12.700 1.00 31.45 H new ATOM 0 HB2 ASN A 59 8.721 3.606 -15.077 1.00 74.34 H new ATOM 0 HB3 ASN A 59 8.325 2.039 -14.400 1.00 74.34 H new ATOM 0 HD21 ASN A 59 5.187 2.371 -15.966 1.00 72.42 H new ATOM 0 HD22 ASN A 59 6.747 1.543 -15.906 1.00 72.42 H new ATOM 929 N ASP A 60 9.754 5.671 -12.675 1.00 71.25 N ATOM 930 CA ASP A 60 10.071 7.107 -12.565 1.00 2.03 C ATOM 931 C ASP A 60 9.482 7.922 -13.733 1.00 41.24 C ATOM 932 O ASP A 60 9.432 7.454 -14.880 1.00 65.51 O ATOM 933 CB ASP A 60 11.607 7.339 -12.450 1.00 21.04 C ATOM 934 CG ASP A 60 11.997 8.832 -12.277 1.00 24.43 C ATOM 935 OD1 ASP A 60 11.784 9.398 -11.178 1.00 53.43 O ATOM 936 OD2 ASP A 60 12.518 9.445 -13.242 1.00 64.44 O ATOM 0 H ASP A 60 10.576 5.073 -12.593 1.00 71.25 H new ATOM 0 HA ASP A 60 9.601 7.465 -11.649 1.00 2.03 H new ATOM 0 HB2 ASP A 60 11.990 6.771 -11.602 1.00 21.04 H new ATOM 0 HB3 ASP A 60 12.094 6.946 -13.343 1.00 21.04 H new ATOM 941 N ASP A 61 9.063 9.149 -13.421 1.00 61.14 N ATOM 942 CA ASP A 61 8.337 10.018 -14.347 1.00 32.34 C ATOM 943 C ASP A 61 8.864 11.448 -14.189 1.00 13.33 C ATOM 944 O ASP A 61 9.395 11.801 -13.122 1.00 1.21 O ATOM 945 CB ASP A 61 6.820 9.932 -14.029 1.00 4.10 C ATOM 946 CG ASP A 61 5.913 10.572 -15.085 1.00 34.24 C ATOM 947 OD1 ASP A 61 5.630 9.909 -16.111 1.00 10.13 O ATOM 948 OD2 ASP A 61 5.464 11.720 -14.886 1.00 60.34 O ATOM 0 H ASP A 61 9.220 9.572 -12.506 1.00 61.14 H new ATOM 0 HA ASP A 61 8.487 9.706 -15.381 1.00 32.34 H new ATOM 0 HB2 ASP A 61 6.544 8.883 -13.918 1.00 4.10 H new ATOM 0 HB3 ASP A 61 6.635 10.414 -13.069 1.00 4.10 H new ATOM 953 N GLN A 62 8.707 12.265 -15.240 1.00 71.35 N ATOM 954 CA GLN A 62 9.139 13.677 -15.230 1.00 51.44 C ATOM 955 C GLN A 62 8.367 14.471 -14.156 1.00 23.41 C ATOM 956 O GLN A 62 8.940 15.311 -13.468 1.00 41.24 O ATOM 957 CB GLN A 62 8.939 14.300 -16.638 1.00 71.34 C ATOM 958 CG GLN A 62 9.742 13.590 -17.745 1.00 62.50 C ATOM 959 CD GLN A 62 9.453 14.124 -19.147 1.00 52.02 C ATOM 960 OE1 GLN A 62 10.110 15.051 -19.628 1.00 54.40 O ATOM 961 NE2 GLN A 62 8.452 13.551 -19.807 1.00 1.30 N ATOM 0 H GLN A 62 8.280 11.971 -16.118 1.00 71.35 H new ATOM 0 HA GLN A 62 10.199 13.723 -14.980 1.00 51.44 H new ATOM 0 HB2 GLN A 62 7.880 14.270 -16.893 1.00 71.34 H new ATOM 0 HB3 GLN A 62 9.229 15.350 -16.606 1.00 71.34 H new ATOM 0 HG2 GLN A 62 10.806 13.698 -17.536 1.00 62.50 H new ATOM 0 HG3 GLN A 62 9.518 12.524 -17.718 1.00 62.50 H new ATOM 0 HE21 GLN A 62 7.930 12.787 -19.379 1.00 1.30 H new ATOM 0 HE22 GLN A 62 8.206 13.876 -20.742 1.00 1.30 H new ATOM 970 N ARG A 63 7.073 14.140 -13.998 1.00 3.52 N ATOM 971 CA ARG A 63 6.176 14.775 -13.008 1.00 32.52 C ATOM 972 C ARG A 63 6.373 14.167 -11.613 1.00 53.33 C ATOM 973 O ARG A 63 6.143 14.852 -10.610 1.00 24.44 O ATOM 974 CB ARG A 63 4.688 14.627 -13.431 1.00 42.42 C ATOM 975 CG ARG A 63 4.322 15.327 -14.756 1.00 33.12 C ATOM 976 CD ARG A 63 4.499 16.856 -14.702 1.00 15.23 C ATOM 977 NE ARG A 63 4.082 17.498 -15.963 1.00 21.41 N ATOM 978 CZ ARG A 63 3.830 18.807 -16.127 1.00 52.10 C ATOM 979 NH1 ARG A 63 3.950 19.668 -15.116 1.00 62.13 N ATOM 980 NH2 ARG A 63 3.437 19.247 -17.317 1.00 5.12 N ATOM 0 H ARG A 63 6.614 13.420 -14.556 1.00 3.52 H new ATOM 0 HA ARG A 63 6.432 15.834 -12.971 1.00 32.52 H new ATOM 0 HB2 ARG A 63 4.453 13.566 -13.519 1.00 42.42 H new ATOM 0 HB3 ARG A 63 4.057 15.028 -12.638 1.00 42.42 H new ATOM 0 HG2 ARG A 63 4.943 14.924 -15.556 1.00 33.12 H new ATOM 0 HG3 ARG A 63 3.287 15.096 -15.008 1.00 33.12 H new ATOM 0 HD2 ARG A 63 3.914 17.261 -13.876 1.00 15.23 H new ATOM 0 HD3 ARG A 63 5.543 17.095 -14.500 1.00 15.23 H new ATOM 0 HE ARG A 63 3.976 16.897 -16.780 1.00 21.41 H new ATOM 0 HH11 ARG A 63 4.238 19.337 -14.195 1.00 62.13 H new ATOM 0 HH12 ARG A 63 3.754 20.658 -15.263 1.00 62.13 H new ATOM 0 HH21 ARG A 63 3.330 18.593 -18.093 1.00 5.12 H new ATOM 0 HH22 ARG A 63 3.242 20.239 -17.455 1.00 5.12 H new ATOM 994 N LEU A 64 6.781 12.873 -11.568 1.00 23.03 N ATOM 995 CA LEU A 64 6.917 12.097 -10.311 1.00 34.22 C ATOM 996 C LEU A 64 7.772 12.834 -9.269 1.00 62.54 C ATOM 997 O LEU A 64 7.428 12.841 -8.102 1.00 40.50 O ATOM 998 CB LEU A 64 7.546 10.712 -10.585 1.00 44.11 C ATOM 999 CG LEU A 64 7.741 9.771 -9.347 1.00 31.54 C ATOM 1000 CD1 LEU A 64 6.409 9.224 -8.811 1.00 12.54 C ATOM 1001 CD2 LEU A 64 8.705 8.625 -9.663 1.00 34.44 C ATOM 0 H LEU A 64 7.025 12.340 -12.403 1.00 23.03 H new ATOM 0 HA LEU A 64 5.910 11.974 -9.911 1.00 34.22 H new ATOM 0 HB2 LEU A 64 6.922 10.193 -11.312 1.00 44.11 H new ATOM 0 HB3 LEU A 64 8.519 10.866 -11.052 1.00 44.11 H new ATOM 0 HG LEU A 64 8.180 10.384 -8.560 1.00 31.54 H new ATOM 0 HD11 LEU A 64 6.599 8.578 -7.954 1.00 12.54 H new ATOM 0 HD12 LEU A 64 5.772 10.054 -8.505 1.00 12.54 H new ATOM 0 HD13 LEU A 64 5.910 8.652 -9.593 1.00 12.54 H new ATOM 0 HD21 LEU A 64 8.818 7.991 -8.783 1.00 34.44 H new ATOM 0 HD22 LEU A 64 8.309 8.033 -10.488 1.00 34.44 H new ATOM 0 HD23 LEU A 64 9.676 9.033 -9.943 1.00 34.44 H new ATOM 1013 N GLU A 65 8.858 13.478 -9.728 1.00 2.23 N ATOM 1014 CA GLU A 65 9.794 14.214 -8.856 1.00 21.43 C ATOM 1015 C GLU A 65 9.129 15.432 -8.180 1.00 4.03 C ATOM 1016 O GLU A 65 9.445 15.759 -7.034 1.00 31.30 O ATOM 1017 CB GLU A 65 11.019 14.651 -9.677 1.00 4.23 C ATOM 1018 CG GLU A 65 11.810 13.475 -10.268 1.00 30.41 C ATOM 1019 CD GLU A 65 13.036 13.930 -11.064 1.00 52.33 C ATOM 1020 OE1 GLU A 65 13.996 14.437 -10.449 1.00 32.22 O ATOM 1021 OE2 GLU A 65 13.045 13.801 -12.305 1.00 1.54 O ATOM 0 H GLU A 65 9.114 13.504 -10.715 1.00 2.23 H new ATOM 0 HA GLU A 65 10.107 13.544 -8.055 1.00 21.43 H new ATOM 0 HB2 GLU A 65 10.690 15.302 -10.487 1.00 4.23 H new ATOM 0 HB3 GLU A 65 11.680 15.241 -9.043 1.00 4.23 H new ATOM 0 HG2 GLU A 65 12.130 12.815 -9.461 1.00 30.41 H new ATOM 0 HG3 GLU A 65 11.156 12.892 -10.917 1.00 30.41 H new ATOM 1028 N GLN A 66 8.208 16.087 -8.904 1.00 63.43 N ATOM 1029 CA GLN A 66 7.407 17.209 -8.366 1.00 62.42 C ATOM 1030 C GLN A 66 6.363 16.683 -7.366 1.00 25.14 C ATOM 1031 O GLN A 66 6.060 17.353 -6.380 1.00 32.13 O ATOM 1032 CB GLN A 66 6.701 18.018 -9.492 1.00 12.15 C ATOM 1033 CG GLN A 66 7.646 18.818 -10.420 1.00 1.51 C ATOM 1034 CD GLN A 66 8.426 17.964 -11.418 1.00 33.12 C ATOM 1035 OE1 GLN A 66 7.969 17.727 -12.535 1.00 51.04 O ATOM 1036 NE2 GLN A 66 9.600 17.489 -11.025 1.00 45.12 N ATOM 0 H GLN A 66 7.995 15.859 -9.875 1.00 63.43 H new ATOM 0 HA GLN A 66 8.095 17.884 -7.857 1.00 62.42 H new ATOM 0 HB2 GLN A 66 6.117 17.328 -10.102 1.00 12.15 H new ATOM 0 HB3 GLN A 66 5.997 18.711 -9.032 1.00 12.15 H new ATOM 0 HG2 GLN A 66 7.058 19.552 -10.971 1.00 1.51 H new ATOM 0 HG3 GLN A 66 8.354 19.373 -9.805 1.00 1.51 H new ATOM 0 HE21 GLN A 66 9.951 17.704 -10.092 1.00 45.12 H new ATOM 0 HE22 GLN A 66 10.152 16.908 -11.656 1.00 45.12 H new ATOM 1045 N MET A 67 5.835 15.471 -7.640 1.00 63.14 N ATOM 1046 CA MET A 67 4.875 14.781 -6.749 1.00 30.31 C ATOM 1047 C MET A 67 5.572 14.370 -5.436 1.00 64.40 C ATOM 1048 O MET A 67 4.998 14.473 -4.352 1.00 65.22 O ATOM 1049 CB MET A 67 4.281 13.525 -7.447 1.00 14.30 C ATOM 1050 CG MET A 67 3.617 13.805 -8.799 1.00 42.41 C ATOM 1051 SD MET A 67 2.291 15.025 -8.707 1.00 63.43 S ATOM 1052 CE MET A 67 1.936 15.285 -10.448 1.00 41.11 C ATOM 0 H MET A 67 6.061 14.943 -8.483 1.00 63.14 H new ATOM 0 HA MET A 67 4.061 15.470 -6.523 1.00 30.31 H new ATOM 0 HB2 MET A 67 5.077 12.795 -7.592 1.00 14.30 H new ATOM 0 HB3 MET A 67 3.547 13.069 -6.783 1.00 14.30 H new ATOM 0 HG2 MET A 67 4.374 14.154 -9.502 1.00 42.41 H new ATOM 0 HG3 MET A 67 3.216 12.873 -9.199 1.00 42.41 H new ATOM 0 HE1 MET A 67 2.235 16.294 -10.734 1.00 41.11 H new ATOM 0 HE2 MET A 67 2.490 14.560 -11.044 1.00 41.11 H new ATOM 0 HE3 MET A 67 0.868 15.159 -10.624 1.00 41.11 H new ATOM 1062 N ILE A 68 6.835 13.937 -5.589 1.00 53.31 N ATOM 1063 CA ILE A 68 7.724 13.500 -4.499 1.00 64.22 C ATOM 1064 C ILE A 68 8.082 14.692 -3.595 1.00 25.54 C ATOM 1065 O ILE A 68 8.055 14.571 -2.362 1.00 50.00 O ATOM 1066 CB ILE A 68 9.022 12.824 -5.115 1.00 70.10 C ATOM 1067 CG1 ILE A 68 8.687 11.391 -5.638 1.00 75.25 C ATOM 1068 CG2 ILE A 68 10.229 12.802 -4.147 1.00 43.34 C ATOM 1069 CD1 ILE A 68 9.808 10.723 -6.407 1.00 65.15 C ATOM 0 H ILE A 68 7.280 13.880 -6.505 1.00 53.31 H new ATOM 0 HA ILE A 68 7.213 12.761 -3.881 1.00 64.22 H new ATOM 0 HB ILE A 68 9.333 13.448 -5.953 1.00 70.10 H new ATOM 0 HG12 ILE A 68 8.421 10.761 -4.789 1.00 75.25 H new ATOM 0 HG13 ILE A 68 7.808 11.449 -6.280 1.00 75.25 H new ATOM 0 HG21 ILE A 68 11.079 12.326 -4.636 1.00 43.34 H new ATOM 0 HG22 ILE A 68 10.494 13.823 -3.872 1.00 43.34 H new ATOM 0 HG23 ILE A 68 9.966 12.242 -3.250 1.00 43.34 H new ATOM 0 HD11 ILE A 68 9.487 9.733 -6.731 1.00 65.15 H new ATOM 0 HD12 ILE A 68 10.061 11.326 -7.279 1.00 65.15 H new ATOM 0 HD13 ILE A 68 10.684 10.628 -5.765 1.00 65.15 H new ATOM 1081 N SER A 69 8.393 15.839 -4.233 1.00 14.42 N ATOM 1082 CA SER A 69 8.709 17.089 -3.532 1.00 0.24 C ATOM 1083 C SER A 69 7.478 17.589 -2.761 1.00 42.25 C ATOM 1084 O SER A 69 7.582 17.931 -1.586 1.00 23.04 O ATOM 1085 CB SER A 69 9.186 18.173 -4.529 1.00 60.41 C ATOM 1086 OG SER A 69 9.650 19.330 -3.857 1.00 43.31 O ATOM 0 H SER A 69 8.431 15.919 -5.249 1.00 14.42 H new ATOM 0 HA SER A 69 9.516 16.891 -2.826 1.00 0.24 H new ATOM 0 HB2 SER A 69 9.984 17.769 -5.153 1.00 60.41 H new ATOM 0 HB3 SER A 69 8.366 18.442 -5.195 1.00 60.41 H new ATOM 0 HG SER A 69 9.945 19.994 -4.515 1.00 43.31 H new ATOM 1092 N GLN A 70 6.314 17.557 -3.446 1.00 42.31 N ATOM 1093 CA GLN A 70 5.036 18.078 -2.935 1.00 64.15 C ATOM 1094 C GLN A 70 4.620 17.318 -1.669 1.00 32.40 C ATOM 1095 O GLN A 70 4.338 17.938 -0.638 1.00 13.43 O ATOM 1096 CB GLN A 70 3.952 17.983 -4.061 1.00 71.31 C ATOM 1097 CG GLN A 70 2.617 18.743 -3.815 1.00 41.45 C ATOM 1098 CD GLN A 70 1.611 18.008 -2.913 1.00 53.52 C ATOM 1099 OE1 GLN A 70 0.789 17.226 -3.383 1.00 14.52 O ATOM 1100 NE2 GLN A 70 1.657 18.266 -1.618 1.00 52.13 N ATOM 0 H GLN A 70 6.239 17.162 -4.383 1.00 42.31 H new ATOM 0 HA GLN A 70 5.145 19.126 -2.657 1.00 64.15 H new ATOM 0 HB2 GLN A 70 4.390 18.356 -4.987 1.00 71.31 H new ATOM 0 HB3 GLN A 70 3.719 16.930 -4.221 1.00 71.31 H new ATOM 0 HG2 GLN A 70 2.844 19.711 -3.368 1.00 41.45 H new ATOM 0 HG3 GLN A 70 2.144 18.939 -4.778 1.00 41.45 H new ATOM 0 HE21 GLN A 70 2.350 18.920 -1.252 1.00 52.13 H new ATOM 0 HE22 GLN A 70 1.000 17.812 -0.984 1.00 52.13 H new ATOM 1109 N ILE A 71 4.611 15.976 -1.749 1.00 50.04 N ATOM 1110 CA ILE A 71 4.178 15.122 -0.628 1.00 71.14 C ATOM 1111 C ILE A 71 5.188 15.179 0.543 1.00 75.54 C ATOM 1112 O ILE A 71 4.803 15.024 1.705 1.00 61.44 O ATOM 1113 CB ILE A 71 3.931 13.636 -1.074 1.00 72.44 C ATOM 1114 CG1 ILE A 71 3.190 12.835 0.050 1.00 54.21 C ATOM 1115 CG2 ILE A 71 5.243 12.941 -1.497 1.00 61.54 C ATOM 1116 CD1 ILE A 71 2.969 11.369 -0.248 1.00 54.04 C ATOM 0 H ILE A 71 4.899 15.458 -2.579 1.00 50.04 H new ATOM 0 HA ILE A 71 3.225 15.520 -0.281 1.00 71.14 H new ATOM 0 HB ILE A 71 3.286 13.655 -1.952 1.00 72.44 H new ATOM 0 HG12 ILE A 71 3.763 12.920 0.973 1.00 54.21 H new ATOM 0 HG13 ILE A 71 2.222 13.303 0.231 1.00 54.21 H new ATOM 0 HG21 ILE A 71 5.031 11.915 -1.799 1.00 61.54 H new ATOM 0 HG22 ILE A 71 5.687 13.481 -2.333 1.00 61.54 H new ATOM 0 HG23 ILE A 71 5.939 12.936 -0.658 1.00 61.54 H new ATOM 0 HD11 ILE A 71 2.450 10.902 0.589 1.00 54.04 H new ATOM 0 HD12 ILE A 71 2.367 11.268 -1.151 1.00 54.04 H new ATOM 0 HD13 ILE A 71 3.931 10.879 -0.397 1.00 54.04 H new ATOM 1128 N ASP A 72 6.475 15.418 0.218 1.00 62.30 N ATOM 1129 CA ASP A 72 7.543 15.555 1.221 1.00 54.22 C ATOM 1130 C ASP A 72 7.302 16.770 2.144 1.00 73.04 C ATOM 1131 O ASP A 72 7.688 16.758 3.320 1.00 23.42 O ATOM 1132 CB ASP A 72 8.926 15.642 0.523 1.00 2.04 C ATOM 1133 CG ASP A 72 10.084 15.980 1.476 1.00 21.05 C ATOM 1134 OD1 ASP A 72 10.333 15.209 2.415 1.00 63.05 O ATOM 1135 OD2 ASP A 72 10.741 17.028 1.307 1.00 43.44 O ATOM 0 H ASP A 72 6.799 15.521 -0.744 1.00 62.30 H new ATOM 0 HA ASP A 72 7.532 14.667 1.853 1.00 54.22 H new ATOM 0 HB2 ASP A 72 9.136 14.690 0.035 1.00 2.04 H new ATOM 0 HB3 ASP A 72 8.880 16.399 -0.260 1.00 2.04 H new ATOM 1140 N LYS A 73 6.628 17.796 1.597 1.00 2.34 N ATOM 1141 CA LYS A 73 6.285 19.026 2.337 1.00 3.22 C ATOM 1142 C LYS A 73 5.219 18.750 3.432 1.00 62.22 C ATOM 1143 O LYS A 73 5.024 19.568 4.330 1.00 53.21 O ATOM 1144 CB LYS A 73 5.786 20.117 1.353 1.00 64.10 C ATOM 1145 CG LYS A 73 6.717 20.350 0.137 1.00 60.10 C ATOM 1146 CD LYS A 73 6.215 21.461 -0.812 1.00 51.31 C ATOM 1147 CE LYS A 73 6.243 22.848 -0.157 1.00 51.15 C ATOM 1148 NZ LYS A 73 5.715 23.905 -1.053 1.00 44.33 N ATOM 0 H LYS A 73 6.305 17.798 0.630 1.00 2.34 H new ATOM 0 HA LYS A 73 7.185 19.384 2.837 1.00 3.22 H new ATOM 0 HB2 LYS A 73 4.797 19.838 0.991 1.00 64.10 H new ATOM 0 HB3 LYS A 73 5.674 21.056 1.896 1.00 64.10 H new ATOM 0 HG2 LYS A 73 7.713 20.610 0.495 1.00 60.10 H new ATOM 0 HG3 LYS A 73 6.812 19.419 -0.422 1.00 60.10 H new ATOM 0 HD2 LYS A 73 6.833 21.474 -1.710 1.00 51.31 H new ATOM 0 HD3 LYS A 73 5.197 21.232 -1.128 1.00 51.31 H new ATOM 0 HE2 LYS A 73 5.655 22.826 0.761 1.00 51.15 H new ATOM 0 HE3 LYS A 73 7.267 23.093 0.126 1.00 51.15 H new ATOM 0 HZ1 LYS A 73 5.754 24.824 -0.567 1.00 44.33 H new ATOM 0 HZ2 LYS A 73 6.291 23.946 -1.918 1.00 44.33 H new ATOM 0 HZ3 LYS A 73 4.729 23.687 -1.303 1.00 44.33 H new ATOM 1162 N LEU A 74 4.531 17.596 3.336 1.00 63.33 N ATOM 1163 CA LEU A 74 3.536 17.154 4.335 1.00 54.45 C ATOM 1164 C LEU A 74 4.245 16.538 5.549 1.00 42.22 C ATOM 1165 O LEU A 74 5.324 15.945 5.425 1.00 30.12 O ATOM 1166 CB LEU A 74 2.528 16.119 3.730 1.00 73.21 C ATOM 1167 CG LEU A 74 1.417 16.677 2.782 1.00 13.04 C ATOM 1168 CD1 LEU A 74 0.473 17.646 3.523 1.00 2.34 C ATOM 1169 CD2 LEU A 74 2.021 17.334 1.528 1.00 42.15 C ATOM 0 H LEU A 74 4.649 16.942 2.562 1.00 63.33 H new ATOM 0 HA LEU A 74 2.970 18.032 4.647 1.00 54.45 H new ATOM 0 HB2 LEU A 74 3.100 15.373 3.178 1.00 73.21 H new ATOM 0 HB3 LEU A 74 2.040 15.601 4.555 1.00 73.21 H new ATOM 0 HG LEU A 74 0.820 15.828 2.451 1.00 13.04 H new ATOM 0 HD11 LEU A 74 -0.286 18.014 2.833 1.00 2.34 H new ATOM 0 HD12 LEU A 74 -0.010 17.123 4.349 1.00 2.34 H new ATOM 0 HD13 LEU A 74 1.047 18.487 3.912 1.00 2.34 H new ATOM 0 HD21 LEU A 74 1.219 17.710 0.892 1.00 42.15 H new ATOM 0 HD22 LEU A 74 2.667 18.160 1.825 1.00 42.15 H new ATOM 0 HD23 LEU A 74 2.605 16.597 0.977 1.00 42.15 H new ATOM 1181 N GLU A 75 3.581 16.643 6.709 1.00 21.42 N ATOM 1182 CA GLU A 75 4.064 16.102 7.994 1.00 33.52 C ATOM 1183 C GLU A 75 3.994 14.564 8.021 1.00 13.01 C ATOM 1184 O GLU A 75 4.465 13.931 8.979 1.00 15.34 O ATOM 1185 CB GLU A 75 3.227 16.691 9.153 1.00 40.15 C ATOM 1186 CG GLU A 75 3.251 18.231 9.236 1.00 1.42 C ATOM 1187 CD GLU A 75 2.339 18.775 10.342 1.00 2.52 C ATOM 1188 OE1 GLU A 75 2.789 18.879 11.502 1.00 0.11 O ATOM 1189 OE2 GLU A 75 1.157 19.074 10.065 1.00 51.34 O ATOM 0 H GLU A 75 2.679 17.113 6.785 1.00 21.42 H new ATOM 0 HA GLU A 75 5.109 16.389 8.113 1.00 33.52 H new ATOM 0 HB2 GLU A 75 2.194 16.361 9.044 1.00 40.15 H new ATOM 0 HB3 GLU A 75 3.594 16.283 10.095 1.00 40.15 H new ATOM 0 HG2 GLU A 75 4.273 18.566 9.415 1.00 1.42 H new ATOM 0 HG3 GLU A 75 2.942 18.648 8.277 1.00 1.42 H new ATOM 1196 N ASP A 76 3.351 13.983 6.991 1.00 61.01 N ATOM 1197 CA ASP A 76 3.308 12.536 6.771 1.00 3.33 C ATOM 1198 C ASP A 76 4.717 11.999 6.514 1.00 45.40 C ATOM 1199 O ASP A 76 5.209 11.142 7.251 1.00 3.23 O ATOM 1200 CB ASP A 76 2.391 12.204 5.564 1.00 14.24 C ATOM 1201 CG ASP A 76 0.949 12.697 5.743 1.00 63.33 C ATOM 1202 OD1 ASP A 76 0.198 12.088 6.527 1.00 73.23 O ATOM 1203 OD2 ASP A 76 0.554 13.696 5.105 1.00 35.52 O ATOM 0 H ASP A 76 2.843 14.515 6.284 1.00 61.01 H new ATOM 0 HA ASP A 76 2.904 12.061 7.665 1.00 3.33 H new ATOM 0 HB2 ASP A 76 2.811 12.652 4.663 1.00 14.24 H new ATOM 0 HB3 ASP A 76 2.382 11.125 5.409 1.00 14.24 H new ATOM 1208 N VAL A 77 5.372 12.581 5.503 1.00 74.10 N ATOM 1209 CA VAL A 77 6.680 12.139 5.023 1.00 74.10 C ATOM 1210 C VAL A 77 7.808 12.605 5.975 1.00 41.53 C ATOM 1211 O VAL A 77 8.196 13.776 5.993 1.00 20.41 O ATOM 1212 CB VAL A 77 6.907 12.632 3.547 1.00 51.31 C ATOM 1213 CG1 VAL A 77 8.350 12.382 3.057 1.00 53.25 C ATOM 1214 CG2 VAL A 77 5.892 11.955 2.594 1.00 42.21 C ATOM 0 H VAL A 77 5.001 13.382 4.991 1.00 74.10 H new ATOM 0 HA VAL A 77 6.706 11.049 5.017 1.00 74.10 H new ATOM 0 HB VAL A 77 6.748 13.710 3.540 1.00 51.31 H new ATOM 0 HG11 VAL A 77 8.454 12.740 2.033 1.00 53.25 H new ATOM 0 HG12 VAL A 77 9.050 12.915 3.700 1.00 53.25 H new ATOM 0 HG13 VAL A 77 8.566 11.314 3.091 1.00 53.25 H new ATOM 0 HG21 VAL A 77 6.060 12.305 1.575 1.00 42.21 H new ATOM 0 HG22 VAL A 77 6.022 10.874 2.632 1.00 42.21 H new ATOM 0 HG23 VAL A 77 4.878 12.209 2.902 1.00 42.21 H new ATOM 1224 N VAL A 78 8.252 11.661 6.811 1.00 34.04 N ATOM 1225 CA VAL A 78 9.425 11.796 7.702 1.00 62.21 C ATOM 1226 C VAL A 78 10.733 11.553 6.904 1.00 62.21 C ATOM 1227 O VAL A 78 11.770 12.174 7.185 1.00 22.54 O ATOM 1228 CB VAL A 78 9.339 10.771 8.903 1.00 60.42 C ATOM 1229 CG1 VAL A 78 10.415 11.049 9.980 1.00 70.14 C ATOM 1230 CG2 VAL A 78 7.919 10.745 9.518 1.00 20.04 C ATOM 0 H VAL A 78 7.796 10.752 6.894 1.00 34.04 H new ATOM 0 HA VAL A 78 9.430 12.809 8.106 1.00 62.21 H new ATOM 0 HB VAL A 78 9.544 9.781 8.496 1.00 60.42 H new ATOM 0 HG11 VAL A 78 10.319 10.322 10.786 1.00 70.14 H new ATOM 0 HG12 VAL A 78 11.406 10.968 9.534 1.00 70.14 H new ATOM 0 HG13 VAL A 78 10.278 12.054 10.380 1.00 70.14 H new ATOM 0 HG21 VAL A 78 7.892 10.031 10.341 1.00 20.04 H new ATOM 0 HG22 VAL A 78 7.665 11.738 9.890 1.00 20.04 H new ATOM 0 HG23 VAL A 78 7.198 10.448 8.756 1.00 20.04 H new ATOM 1240 N LYS A 79 10.678 10.626 5.919 1.00 3.51 N ATOM 1241 CA LYS A 79 11.794 10.364 4.973 1.00 2.20 C ATOM 1242 C LYS A 79 11.250 10.204 3.553 1.00 43.34 C ATOM 1243 O LYS A 79 10.134 9.707 3.363 1.00 60.50 O ATOM 1244 CB LYS A 79 12.593 9.071 5.318 1.00 31.13 C ATOM 1245 CG LYS A 79 13.507 9.131 6.555 1.00 10.43 C ATOM 1246 CD LYS A 79 14.155 7.747 6.864 1.00 2.02 C ATOM 1247 CE LYS A 79 15.475 7.857 7.640 1.00 51.54 C ATOM 1248 NZ LYS A 79 16.542 8.495 6.824 1.00 25.22 N ATOM 0 H LYS A 79 9.861 10.038 5.756 1.00 3.51 H new ATOM 0 HA LYS A 79 12.465 11.220 5.053 1.00 2.20 H new ATOM 0 HB2 LYS A 79 11.880 8.259 5.461 1.00 31.13 H new ATOM 0 HB3 LYS A 79 13.205 8.809 4.455 1.00 31.13 H new ATOM 0 HG2 LYS A 79 14.291 9.871 6.392 1.00 10.43 H new ATOM 0 HG3 LYS A 79 12.929 9.463 7.418 1.00 10.43 H new ATOM 0 HD2 LYS A 79 13.452 7.144 7.439 1.00 2.02 H new ATOM 0 HD3 LYS A 79 14.335 7.220 5.927 1.00 2.02 H new ATOM 0 HE2 LYS A 79 15.316 8.438 8.549 1.00 51.54 H new ATOM 0 HE3 LYS A 79 15.799 6.863 7.950 1.00 51.54 H new ATOM 0 HZ1 LYS A 79 17.470 8.298 7.251 1.00 25.22 H new ATOM 0 HZ2 LYS A 79 16.517 8.111 5.858 1.00 25.22 H new ATOM 0 HZ3 LYS A 79 16.387 9.523 6.792 1.00 25.22 H new ATOM 1262 N VAL A 80 12.087 10.574 2.575 1.00 72.10 N ATOM 1263 CA VAL A 80 11.841 10.352 1.152 1.00 71.52 C ATOM 1264 C VAL A 80 13.184 9.978 0.478 1.00 74.11 C ATOM 1265 O VAL A 80 14.072 10.825 0.281 1.00 3.20 O ATOM 1266 CB VAL A 80 11.164 11.609 0.469 1.00 42.10 C ATOM 1267 CG1 VAL A 80 11.957 12.916 0.711 1.00 14.22 C ATOM 1268 CG2 VAL A 80 10.934 11.360 -1.035 1.00 62.34 C ATOM 0 H VAL A 80 12.972 11.046 2.760 1.00 72.10 H new ATOM 0 HA VAL A 80 11.134 9.532 1.027 1.00 71.52 H new ATOM 0 HB VAL A 80 10.193 11.746 0.945 1.00 42.10 H new ATOM 0 HG11 VAL A 80 11.448 13.746 0.221 1.00 14.22 H new ATOM 0 HG12 VAL A 80 12.020 13.110 1.782 1.00 14.22 H new ATOM 0 HG13 VAL A 80 12.962 12.813 0.301 1.00 14.22 H new ATOM 0 HG21 VAL A 80 10.468 12.238 -1.482 1.00 62.34 H new ATOM 0 HG22 VAL A 80 11.890 11.169 -1.523 1.00 62.34 H new ATOM 0 HG23 VAL A 80 10.281 10.497 -1.165 1.00 62.34 H new ATOM 1278 N GLN A 81 13.362 8.682 0.181 1.00 25.12 N ATOM 1279 CA GLN A 81 14.615 8.151 -0.388 1.00 52.51 C ATOM 1280 C GLN A 81 14.314 7.407 -1.693 1.00 60.41 C ATOM 1281 O GLN A 81 13.572 6.410 -1.689 1.00 51.12 O ATOM 1282 CB GLN A 81 15.316 7.215 0.637 1.00 44.03 C ATOM 1283 CG GLN A 81 15.596 7.860 2.019 1.00 23.33 C ATOM 1284 CD GLN A 81 16.269 6.932 3.038 1.00 65.05 C ATOM 1285 OE1 GLN A 81 16.050 7.055 4.246 1.00 43.03 O ATOM 1286 NE2 GLN A 81 17.114 6.019 2.581 1.00 54.32 N ATOM 0 H GLN A 81 12.645 7.972 0.327 1.00 25.12 H new ATOM 0 HA GLN A 81 15.291 8.977 -0.607 1.00 52.51 H new ATOM 0 HB2 GLN A 81 14.696 6.330 0.783 1.00 44.03 H new ATOM 0 HB3 GLN A 81 16.261 6.876 0.212 1.00 44.03 H new ATOM 0 HG2 GLN A 81 16.228 8.736 1.874 1.00 23.33 H new ATOM 0 HG3 GLN A 81 14.653 8.213 2.437 1.00 23.33 H new ATOM 0 HE21 GLN A 81 17.280 5.935 1.578 1.00 54.32 H new ATOM 0 HE22 GLN A 81 17.598 5.401 3.232 1.00 54.32 H new ATOM 1295 N ARG A 82 14.873 7.911 -2.813 1.00 23.04 N ATOM 1296 CA ARG A 82 14.684 7.319 -4.142 1.00 15.33 C ATOM 1297 C ARG A 82 15.768 6.257 -4.398 1.00 54.21 C ATOM 1298 O ARG A 82 16.905 6.580 -4.777 1.00 22.21 O ATOM 1299 CB ARG A 82 14.696 8.409 -5.259 1.00 55.43 C ATOM 1300 CG ARG A 82 13.724 9.591 -5.019 1.00 12.23 C ATOM 1301 CD ARG A 82 13.340 10.334 -6.315 1.00 2.32 C ATOM 1302 NE ARG A 82 14.497 10.861 -7.068 1.00 40.32 N ATOM 1303 CZ ARG A 82 14.531 11.025 -8.411 1.00 72.21 C ATOM 1304 NH1 ARG A 82 13.483 10.698 -9.168 1.00 71.13 N ATOM 1305 NH2 ARG A 82 15.619 11.534 -8.991 1.00 71.53 N ATOM 0 H ARG A 82 15.467 8.740 -2.815 1.00 23.04 H new ATOM 0 HA ARG A 82 13.705 6.840 -4.170 1.00 15.33 H new ATOM 0 HB2 ARG A 82 15.708 8.802 -5.354 1.00 55.43 H new ATOM 0 HB3 ARG A 82 14.447 7.938 -6.210 1.00 55.43 H new ATOM 0 HG2 ARG A 82 12.819 9.217 -4.540 1.00 12.23 H new ATOM 0 HG3 ARG A 82 14.183 10.296 -4.326 1.00 12.23 H new ATOM 0 HD2 ARG A 82 12.779 9.656 -6.958 1.00 2.32 H new ATOM 0 HD3 ARG A 82 12.675 11.160 -6.065 1.00 2.32 H new ATOM 0 HE ARG A 82 15.329 11.120 -6.538 1.00 40.32 H new ATOM 0 HH11 ARG A 82 12.641 10.318 -8.736 1.00 71.13 H new ATOM 0 HH12 ARG A 82 13.524 10.827 -10.179 1.00 71.13 H new ATOM 0 HH21 ARG A 82 16.423 11.799 -8.423 1.00 71.53 H new ATOM 0 HH22 ARG A 82 15.647 11.658 -10.003 1.00 71.53 H new ATOM 1319 N ASN A 83 15.405 4.999 -4.140 1.00 64.12 N ATOM 1320 CA ASN A 83 16.269 3.823 -4.339 1.00 50.40 C ATOM 1321 C ASN A 83 15.958 3.212 -5.715 1.00 32.30 C ATOM 1322 O ASN A 83 14.848 3.382 -6.235 1.00 62.25 O ATOM 1323 CB ASN A 83 16.028 2.770 -3.217 1.00 70.33 C ATOM 1324 CG ASN A 83 16.224 3.306 -1.796 1.00 14.53 C ATOM 1325 OD1 ASN A 83 17.075 4.160 -1.540 1.00 32.31 O ATOM 1326 ND2 ASN A 83 15.425 2.816 -0.859 1.00 13.34 N ATOM 0 H ASN A 83 14.482 4.759 -3.778 1.00 64.12 H new ATOM 0 HA ASN A 83 17.315 4.128 -4.295 1.00 50.40 H new ATOM 0 HB2 ASN A 83 15.013 2.383 -3.310 1.00 70.33 H new ATOM 0 HB3 ASN A 83 16.705 1.930 -3.372 1.00 70.33 H new ATOM 0 HD21 ASN A 83 15.505 3.145 0.103 1.00 13.34 H new ATOM 0 HD22 ASN A 83 14.730 2.110 -1.100 1.00 13.34 H new ATOM 1333 N GLN A 84 16.941 2.525 -6.313 1.00 72.10 N ATOM 1334 CA GLN A 84 16.752 1.790 -7.583 1.00 73.00 C ATOM 1335 C GLN A 84 16.235 0.379 -7.274 1.00 12.42 C ATOM 1336 O GLN A 84 16.646 -0.226 -6.273 1.00 11.41 O ATOM 1337 CB GLN A 84 18.078 1.735 -8.386 1.00 61.32 C ATOM 1338 CG GLN A 84 18.601 3.120 -8.822 1.00 65.22 C ATOM 1339 CD GLN A 84 19.845 3.058 -9.716 1.00 33.14 C ATOM 1340 OE1 GLN A 84 20.035 2.110 -10.480 1.00 62.25 O ATOM 1341 NE2 GLN A 84 20.696 4.074 -9.638 1.00 72.12 N ATOM 0 H GLN A 84 17.887 2.460 -5.937 1.00 72.10 H new ATOM 0 HA GLN A 84 16.019 2.311 -8.199 1.00 73.00 H new ATOM 0 HB2 GLN A 84 18.839 1.244 -7.779 1.00 61.32 H new ATOM 0 HB3 GLN A 84 17.930 1.118 -9.272 1.00 61.32 H new ATOM 0 HG2 GLN A 84 17.809 3.646 -9.354 1.00 65.22 H new ATOM 0 HG3 GLN A 84 18.833 3.707 -7.933 1.00 65.22 H new ATOM 0 HE21 GLN A 84 20.512 4.845 -8.996 1.00 72.12 H new ATOM 0 HE22 GLN A 84 21.534 4.084 -10.220 1.00 72.12 H new ATOM 1350 N SER A 85 15.328 -0.143 -8.124 1.00 14.42 N ATOM 1351 CA SER A 85 14.553 -1.351 -7.807 1.00 53.11 C ATOM 1352 C SER A 85 15.266 -2.653 -8.169 1.00 35.54 C ATOM 1353 O SER A 85 15.988 -2.750 -9.167 1.00 45.31 O ATOM 1354 CB SER A 85 13.156 -1.302 -8.447 1.00 33.01 C ATOM 1355 OG SER A 85 12.339 -2.388 -8.026 1.00 42.21 O ATOM 0 H SER A 85 15.116 0.258 -9.038 1.00 14.42 H new ATOM 0 HA SER A 85 14.447 -1.353 -6.722 1.00 53.11 H new ATOM 0 HB2 SER A 85 12.671 -0.361 -8.187 1.00 33.01 H new ATOM 0 HB3 SER A 85 13.254 -1.321 -9.532 1.00 33.01 H new ATOM 0 HG SER A 85 11.425 -2.070 -7.874 1.00 42.21 H new ATOM 1361 N ASP A 86 15.031 -3.634 -7.295 1.00 24.53 N ATOM 1362 CA ASP A 86 15.490 -5.011 -7.403 1.00 73.42 C ATOM 1363 C ASP A 86 14.422 -5.878 -6.687 1.00 45.35 C ATOM 1364 O ASP A 86 13.911 -5.448 -5.639 1.00 31.15 O ATOM 1365 CB ASP A 86 16.891 -5.149 -6.739 1.00 13.34 C ATOM 1366 CG ASP A 86 17.533 -6.535 -6.935 1.00 35.20 C ATOM 1367 OD1 ASP A 86 17.236 -7.459 -6.149 1.00 43.54 O ATOM 1368 OD2 ASP A 86 18.321 -6.714 -7.894 1.00 40.13 O ATOM 0 H ASP A 86 14.485 -3.475 -6.448 1.00 24.53 H new ATOM 0 HA ASP A 86 15.602 -5.332 -8.439 1.00 73.42 H new ATOM 0 HB2 ASP A 86 17.555 -4.389 -7.150 1.00 13.34 H new ATOM 0 HB3 ASP A 86 16.799 -4.948 -5.672 1.00 13.34 H new ATOM 1373 N PRO A 87 14.044 -7.087 -7.212 1.00 32.22 N ATOM 1374 CA PRO A 87 12.962 -7.911 -6.606 1.00 3.13 C ATOM 1375 C PRO A 87 13.279 -8.361 -5.162 1.00 62.51 C ATOM 1376 O PRO A 87 12.371 -8.517 -4.342 1.00 42.22 O ATOM 1377 CB PRO A 87 12.827 -9.116 -7.577 1.00 71.34 C ATOM 1378 CG PRO A 87 14.149 -9.180 -8.287 1.00 34.03 C ATOM 1379 CD PRO A 87 14.603 -7.741 -8.427 1.00 34.22 C ATOM 0 HA PRO A 87 12.035 -7.348 -6.499 1.00 3.13 H new ATOM 0 HB2 PRO A 87 12.622 -10.040 -7.036 1.00 71.34 H new ATOM 0 HB3 PRO A 87 12.006 -8.969 -8.279 1.00 71.34 H new ATOM 0 HG2 PRO A 87 14.872 -9.766 -7.719 1.00 34.03 H new ATOM 0 HG3 PRO A 87 14.048 -9.656 -9.262 1.00 34.03 H new ATOM 0 HD2 PRO A 87 15.690 -7.663 -8.462 1.00 34.22 H new ATOM 0 HD3 PRO A 87 14.221 -7.286 -9.341 1.00 34.22 H new ATOM 1387 N THR A 88 14.571 -8.529 -4.839 1.00 2.52 N ATOM 1388 CA THR A 88 14.983 -9.004 -3.509 1.00 14.33 C ATOM 1389 C THR A 88 15.264 -7.831 -2.540 1.00 62.15 C ATOM 1390 O THR A 88 15.514 -8.066 -1.352 1.00 51.13 O ATOM 1391 CB THR A 88 16.218 -9.966 -3.596 1.00 13.53 C ATOM 1392 OG1 THR A 88 17.399 -9.251 -3.998 1.00 31.22 O ATOM 1393 CG2 THR A 88 15.969 -11.129 -4.581 1.00 21.23 C ATOM 0 H THR A 88 15.345 -8.344 -5.477 1.00 2.52 H new ATOM 0 HA THR A 88 14.145 -9.572 -3.104 1.00 14.33 H new ATOM 0 HB THR A 88 16.366 -10.380 -2.599 1.00 13.53 H new ATOM 0 HG1 THR A 88 17.186 -8.669 -4.757 1.00 31.22 H new ATOM 0 HG21 THR A 88 16.848 -11.773 -4.613 1.00 21.23 H new ATOM 0 HG22 THR A 88 15.107 -11.708 -4.250 1.00 21.23 H new ATOM 0 HG23 THR A 88 15.777 -10.728 -5.576 1.00 21.23 H new ATOM 1401 N MET A 89 15.189 -6.573 -3.040 1.00 55.43 N ATOM 1402 CA MET A 89 15.372 -5.356 -2.209 1.00 10.41 C ATOM 1403 C MET A 89 14.229 -5.246 -1.178 1.00 31.11 C ATOM 1404 O MET A 89 14.466 -5.281 0.057 1.00 10.24 O ATOM 1405 CB MET A 89 15.438 -4.084 -3.114 1.00 0.34 C ATOM 1406 CG MET A 89 15.788 -2.761 -2.388 1.00 42.53 C ATOM 1407 SD MET A 89 14.494 -2.159 -1.270 1.00 1.03 S ATOM 1408 CE MET A 89 15.313 -0.782 -0.457 1.00 31.41 C ATOM 0 H MET A 89 15.002 -6.374 -4.023 1.00 55.43 H new ATOM 0 HA MET A 89 16.316 -5.432 -1.668 1.00 10.41 H new ATOM 0 HB2 MET A 89 16.178 -4.255 -3.896 1.00 0.34 H new ATOM 0 HB3 MET A 89 14.474 -3.962 -3.608 1.00 0.34 H new ATOM 0 HG2 MET A 89 16.706 -2.905 -1.818 1.00 42.53 H new ATOM 0 HG3 MET A 89 15.993 -1.994 -3.135 1.00 42.53 H new ATOM 0 HE1 MET A 89 14.669 -0.389 0.330 1.00 31.41 H new ATOM 0 HE2 MET A 89 16.252 -1.123 -0.022 1.00 31.41 H new ATOM 0 HE3 MET A 89 15.515 0.003 -1.186 1.00 31.41 H new ATOM 1418 N PHE A 90 12.977 -5.157 -1.693 1.00 3.24 N ATOM 1419 CA PHE A 90 11.787 -5.034 -0.840 1.00 74.42 C ATOM 1420 C PHE A 90 11.600 -6.302 0.028 1.00 22.55 C ATOM 1421 O PHE A 90 11.123 -6.230 1.163 1.00 2.12 O ATOM 1422 CB PHE A 90 10.515 -4.663 -1.656 1.00 73.14 C ATOM 1423 CG PHE A 90 10.024 -5.703 -2.664 1.00 51.31 C ATOM 1424 CD1 PHE A 90 9.154 -6.724 -2.271 1.00 44.42 C ATOM 1425 CD2 PHE A 90 10.414 -5.654 -4.005 1.00 23.32 C ATOM 1426 CE1 PHE A 90 8.685 -7.653 -3.179 1.00 63.41 C ATOM 1427 CE2 PHE A 90 9.943 -6.586 -4.913 1.00 63.32 C ATOM 1428 CZ PHE A 90 9.083 -7.586 -4.499 1.00 54.12 C ATOM 0 H PHE A 90 12.775 -5.169 -2.693 1.00 3.24 H new ATOM 0 HA PHE A 90 11.948 -4.200 -0.157 1.00 74.42 H new ATOM 0 HB2 PHE A 90 9.706 -4.460 -0.954 1.00 73.14 H new ATOM 0 HB3 PHE A 90 10.712 -3.735 -2.192 1.00 73.14 H new ATOM 0 HD1 PHE A 90 8.843 -6.788 -1.239 1.00 44.42 H new ATOM 0 HD2 PHE A 90 11.091 -4.880 -4.336 1.00 23.32 H new ATOM 0 HE1 PHE A 90 8.008 -8.430 -2.857 1.00 63.41 H new ATOM 0 HE2 PHE A 90 10.248 -6.532 -5.948 1.00 63.32 H new ATOM 0 HZ PHE A 90 8.722 -8.315 -5.209 1.00 54.12 H new ATOM 1438 N ASN A 91 12.058 -7.451 -0.502 1.00 73.51 N ATOM 1439 CA ASN A 91 12.042 -8.736 0.216 1.00 64.40 C ATOM 1440 C ASN A 91 13.008 -8.697 1.431 1.00 62.42 C ATOM 1441 O ASN A 91 12.704 -9.245 2.491 1.00 40.11 O ATOM 1442 CB ASN A 91 12.429 -9.870 -0.768 1.00 33.13 C ATOM 1443 CG ASN A 91 12.357 -11.279 -0.179 1.00 23.05 C ATOM 1444 OD1 ASN A 91 11.568 -11.556 0.719 1.00 13.14 O ATOM 1445 ND2 ASN A 91 13.167 -12.187 -0.701 1.00 61.02 N ATOM 0 H ASN A 91 12.450 -7.513 -1.442 1.00 73.51 H new ATOM 0 HA ASN A 91 11.040 -8.925 0.602 1.00 64.40 H new ATOM 0 HB2 ASN A 91 11.771 -9.820 -1.636 1.00 33.13 H new ATOM 0 HB3 ASN A 91 13.443 -9.692 -1.126 1.00 33.13 H new ATOM 0 HD21 ASN A 91 13.146 -13.147 -0.357 1.00 61.02 H new ATOM 0 HD22 ASN A 91 13.812 -11.926 -1.447 1.00 61.02 H new ATOM 1452 N LYS A 92 14.145 -7.989 1.262 1.00 52.04 N ATOM 1453 CA LYS A 92 15.224 -7.899 2.274 1.00 72.02 C ATOM 1454 C LYS A 92 14.740 -7.248 3.582 1.00 74.23 C ATOM 1455 O LYS A 92 15.013 -7.759 4.673 1.00 65.11 O ATOM 1456 CB LYS A 92 16.422 -7.107 1.697 1.00 24.03 C ATOM 1457 CG LYS A 92 17.657 -7.007 2.619 1.00 12.34 C ATOM 1458 CD LYS A 92 18.799 -6.184 1.981 1.00 71.13 C ATOM 1459 CE LYS A 92 19.274 -6.764 0.637 1.00 63.23 C ATOM 1460 NZ LYS A 92 20.352 -5.948 0.019 1.00 5.23 N ATOM 0 H LYS A 92 14.343 -7.459 0.413 1.00 52.04 H new ATOM 0 HA LYS A 92 15.536 -8.916 2.513 1.00 72.02 H new ATOM 0 HB2 LYS A 92 16.726 -7.573 0.760 1.00 24.03 H new ATOM 0 HB3 LYS A 92 16.087 -6.098 1.457 1.00 24.03 H new ATOM 0 HG2 LYS A 92 17.366 -6.549 3.564 1.00 12.34 H new ATOM 0 HG3 LYS A 92 18.019 -8.009 2.849 1.00 12.34 H new ATOM 0 HD2 LYS A 92 18.461 -5.159 1.830 1.00 71.13 H new ATOM 0 HD3 LYS A 92 19.641 -6.143 2.672 1.00 71.13 H new ATOM 0 HE2 LYS A 92 19.634 -7.781 0.790 1.00 63.23 H new ATOM 0 HE3 LYS A 92 18.429 -6.825 -0.049 1.00 63.23 H new ATOM 0 HZ1 LYS A 92 20.639 -6.378 -0.883 1.00 5.23 H new ATOM 0 HZ2 LYS A 92 20.002 -4.984 -0.153 1.00 5.23 H new ATOM 0 HZ3 LYS A 92 21.170 -5.911 0.660 1.00 5.23 H new ATOM 1474 N ILE A 93 14.032 -6.113 3.475 1.00 33.52 N ATOM 1475 CA ILE A 93 13.482 -5.445 4.689 1.00 24.41 C ATOM 1476 C ILE A 93 12.216 -6.160 5.211 1.00 51.40 C ATOM 1477 O ILE A 93 11.937 -6.119 6.415 1.00 61.45 O ATOM 1478 CB ILE A 93 13.172 -3.921 4.487 1.00 33.24 C ATOM 1479 CG1 ILE A 93 12.259 -3.675 3.238 1.00 22.43 C ATOM 1480 CG2 ILE A 93 14.481 -3.088 4.424 1.00 50.23 C ATOM 1481 CD1 ILE A 93 12.973 -3.286 1.964 1.00 2.02 C ATOM 0 H ILE A 93 13.825 -5.642 2.594 1.00 33.52 H new ATOM 0 HA ILE A 93 14.277 -5.520 5.431 1.00 24.41 H new ATOM 0 HB ILE A 93 12.610 -3.580 5.357 1.00 33.24 H new ATOM 0 HG12 ILE A 93 11.685 -4.582 3.047 1.00 22.43 H new ATOM 0 HG13 ILE A 93 11.543 -2.891 3.484 1.00 22.43 H new ATOM 0 HG21 ILE A 93 14.236 -2.035 4.283 1.00 50.23 H new ATOM 0 HG22 ILE A 93 15.035 -3.210 5.355 1.00 50.23 H new ATOM 0 HG23 ILE A 93 15.092 -3.433 3.590 1.00 50.23 H new ATOM 0 HD11 ILE A 93 12.243 -3.142 1.167 1.00 2.02 H new ATOM 0 HD12 ILE A 93 13.524 -2.359 2.124 1.00 2.02 H new ATOM 0 HD13 ILE A 93 13.668 -4.076 1.680 1.00 2.02 H new ATOM 1493 N ALA A 94 11.455 -6.806 4.299 1.00 3.33 N ATOM 1494 CA ALA A 94 10.222 -7.543 4.658 1.00 1.33 C ATOM 1495 C ALA A 94 10.522 -8.714 5.618 1.00 62.34 C ATOM 1496 O ALA A 94 9.761 -8.962 6.556 1.00 71.44 O ATOM 1497 CB ALA A 94 9.516 -8.048 3.390 1.00 73.23 C ATOM 0 H ALA A 94 11.675 -6.832 3.303 1.00 3.33 H new ATOM 0 HA ALA A 94 9.558 -6.853 5.179 1.00 1.33 H new ATOM 0 HB1 ALA A 94 8.611 -8.588 3.668 1.00 73.23 H new ATOM 0 HB2 ALA A 94 9.253 -7.200 2.758 1.00 73.23 H new ATOM 0 HB3 ALA A 94 10.183 -8.715 2.843 1.00 73.23 H new ATOM 1503 N VAL A 95 11.653 -9.407 5.381 1.00 70.40 N ATOM 1504 CA VAL A 95 12.088 -10.542 6.224 1.00 41.02 C ATOM 1505 C VAL A 95 12.753 -10.064 7.525 1.00 13.44 C ATOM 1506 O VAL A 95 12.839 -10.824 8.494 1.00 5.14 O ATOM 1507 CB VAL A 95 13.079 -11.501 5.463 1.00 30.24 C ATOM 1508 CG1 VAL A 95 12.446 -12.025 4.165 1.00 11.53 C ATOM 1509 CG2 VAL A 95 14.450 -10.838 5.187 1.00 65.41 C ATOM 0 H VAL A 95 12.286 -9.200 4.609 1.00 70.40 H new ATOM 0 HA VAL A 95 11.182 -11.096 6.468 1.00 41.02 H new ATOM 0 HB VAL A 95 13.268 -12.349 6.121 1.00 30.24 H new ATOM 0 HG11 VAL A 95 13.150 -12.685 3.658 1.00 11.53 H new ATOM 0 HG12 VAL A 95 11.536 -12.577 4.401 1.00 11.53 H new ATOM 0 HG13 VAL A 95 12.202 -11.185 3.514 1.00 11.53 H new ATOM 0 HG21 VAL A 95 15.095 -11.542 4.661 1.00 65.41 H new ATOM 0 HG22 VAL A 95 14.307 -9.948 4.574 1.00 65.41 H new ATOM 0 HG23 VAL A 95 14.915 -10.557 6.132 1.00 65.41 H new ATOM 1519 N PHE A 96 13.247 -8.816 7.524 1.00 14.34 N ATOM 1520 CA PHE A 96 13.971 -8.240 8.671 1.00 3.23 C ATOM 1521 C PHE A 96 12.975 -7.622 9.672 1.00 1.21 C ATOM 1522 O PHE A 96 13.285 -7.506 10.861 1.00 31.45 O ATOM 1523 CB PHE A 96 15.003 -7.189 8.168 1.00 63.05 C ATOM 1524 CG PHE A 96 16.048 -6.774 9.211 1.00 71.21 C ATOM 1525 CD1 PHE A 96 17.098 -7.634 9.549 1.00 13.14 C ATOM 1526 CD2 PHE A 96 15.992 -5.537 9.849 1.00 72.12 C ATOM 1527 CE1 PHE A 96 18.040 -7.268 10.498 1.00 3.53 C ATOM 1528 CE2 PHE A 96 16.933 -5.174 10.796 1.00 32.23 C ATOM 1529 CZ PHE A 96 17.960 -6.036 11.117 1.00 2.31 C ATOM 0 H PHE A 96 13.157 -8.179 6.732 1.00 14.34 H new ATOM 0 HA PHE A 96 14.516 -9.028 9.191 1.00 3.23 H new ATOM 0 HB2 PHE A 96 15.518 -7.593 7.297 1.00 63.05 H new ATOM 0 HB3 PHE A 96 14.466 -6.300 7.837 1.00 63.05 H new ATOM 0 HD1 PHE A 96 17.176 -8.596 9.064 1.00 13.14 H new ATOM 0 HD2 PHE A 96 15.199 -4.848 9.600 1.00 72.12 H new ATOM 0 HE1 PHE A 96 18.839 -7.948 10.754 1.00 3.53 H new ATOM 0 HE2 PHE A 96 16.863 -4.213 11.285 1.00 32.23 H new ATOM 0 HZ PHE A 96 18.699 -5.749 11.850 1.00 2.31 H new ATOM 1539 N PHE A 97 11.782 -7.228 9.154 1.00 72.31 N ATOM 1540 CA PHE A 97 10.658 -6.659 9.946 1.00 21.34 C ATOM 1541 C PHE A 97 11.071 -5.381 10.698 1.00 25.44 C ATOM 1542 O PHE A 97 10.547 -5.091 11.778 1.00 60.23 O ATOM 1543 CB PHE A 97 10.064 -7.703 10.936 1.00 51.11 C ATOM 1544 CG PHE A 97 9.577 -8.983 10.283 1.00 54.53 C ATOM 1545 CD1 PHE A 97 8.394 -9.004 9.550 1.00 4.01 C ATOM 1546 CD2 PHE A 97 10.303 -10.163 10.403 1.00 50.34 C ATOM 1547 CE1 PHE A 97 7.962 -10.168 8.957 1.00 14.21 C ATOM 1548 CE2 PHE A 97 9.867 -11.324 9.810 1.00 3.21 C ATOM 1549 CZ PHE A 97 8.697 -11.327 9.093 1.00 40.02 C ATOM 0 H PHE A 97 11.570 -7.298 8.159 1.00 72.31 H new ATOM 0 HA PHE A 97 9.882 -6.390 9.230 1.00 21.34 H new ATOM 0 HB2 PHE A 97 10.822 -7.954 11.678 1.00 51.11 H new ATOM 0 HB3 PHE A 97 9.233 -7.245 11.472 1.00 51.11 H new ATOM 0 HD1 PHE A 97 7.811 -8.101 9.446 1.00 4.01 H new ATOM 0 HD2 PHE A 97 11.222 -10.167 10.970 1.00 50.34 H new ATOM 0 HE1 PHE A 97 7.046 -10.174 8.384 1.00 14.21 H new ATOM 0 HE2 PHE A 97 10.444 -12.232 9.908 1.00 3.21 H new ATOM 0 HZ PHE A 97 8.350 -12.241 8.633 1.00 40.02 H new ATOM 1559 N GLN A 98 11.984 -4.615 10.092 1.00 24.55 N ATOM 1560 CA GLN A 98 12.543 -3.392 10.681 1.00 61.43 C ATOM 1561 C GLN A 98 13.212 -2.546 9.571 1.00 73.53 C ATOM 1562 O GLN A 98 13.908 -3.127 8.707 1.00 71.15 O ATOM 1563 CB GLN A 98 13.555 -3.747 11.820 1.00 61.22 C ATOM 1564 CG GLN A 98 14.174 -2.542 12.571 1.00 73.42 C ATOM 1565 CD GLN A 98 13.134 -1.690 13.298 1.00 75.30 C ATOM 1566 OE1 GLN A 98 12.809 -1.933 14.457 1.00 74.15 O ATOM 1567 NE2 GLN A 98 12.596 -0.695 12.622 1.00 21.53 N ATOM 1568 OXT GLN A 98 13.057 -1.308 9.584 1.00 37.92 O ATOM 0 H GLN A 98 12.360 -4.828 9.168 1.00 24.55 H new ATOM 0 HA GLN A 98 11.742 -2.803 11.129 1.00 61.43 H new ATOM 0 HB2 GLN A 98 13.048 -4.382 12.546 1.00 61.22 H new ATOM 0 HB3 GLN A 98 14.364 -4.338 11.390 1.00 61.22 H new ATOM 0 HG2 GLN A 98 14.904 -2.908 13.293 1.00 73.42 H new ATOM 0 HG3 GLN A 98 14.714 -1.917 11.860 1.00 73.42 H new ATOM 0 HE21 GLN A 98 12.885 -0.516 11.660 1.00 21.53 H new ATOM 0 HE22 GLN A 98 11.890 -0.103 13.060 1.00 21.53 H new TER 1577 GLN A 98 ATOM 1578 N GLY B 1 -5.712 5.091 23.196 1.00 21.52 N ATOM 1579 CA GLY B 1 -6.643 5.874 22.344 1.00 72.21 C ATOM 1580 C GLY B 1 -7.031 5.137 21.066 1.00 45.04 C ATOM 1581 O GLY B 1 -7.372 5.771 20.058 1.00 71.55 O ATOM 0 H1 GLY B 1 -5.361 5.691 23.970 1.00 21.52 H new ATOM 0 H2 GLY B 1 -6.212 4.270 23.594 1.00 21.52 H new ATOM 0 H3 GLY B 1 -4.909 4.762 22.622 1.00 21.52 H new ATOM 0 HA2 GLY B 1 -7.543 6.105 22.913 1.00 72.21 H new ATOM 0 HA3 GLY B 1 -6.178 6.825 22.084 1.00 72.21 H new ATOM 1587 N SER B 2 -7.007 3.793 21.122 1.00 10.31 N ATOM 1588 CA SER B 2 -7.271 2.912 19.965 1.00 72.12 C ATOM 1589 C SER B 2 -7.501 1.469 20.463 1.00 42.03 C ATOM 1590 O SER B 2 -7.627 1.236 21.676 1.00 0.25 O ATOM 1591 CB SER B 2 -6.075 2.963 18.966 1.00 74.43 C ATOM 1592 OG SER B 2 -4.862 2.562 19.591 1.00 34.31 O ATOM 0 H SER B 2 -6.802 3.281 21.980 1.00 10.31 H new ATOM 0 HA SER B 2 -8.165 3.255 19.444 1.00 72.12 H new ATOM 0 HB2 SER B 2 -6.281 2.313 18.116 1.00 74.43 H new ATOM 0 HB3 SER B 2 -5.968 3.975 18.575 1.00 74.43 H new ATOM 0 HG SER B 2 -4.866 1.590 19.719 1.00 34.31 H new ATOM 1598 N MET B 3 -7.585 0.505 19.522 1.00 21.11 N ATOM 1599 CA MET B 3 -7.528 -0.933 19.846 1.00 21.22 C ATOM 1600 C MET B 3 -6.096 -1.289 20.279 1.00 21.11 C ATOM 1601 O MET B 3 -5.133 -0.648 19.824 1.00 72.34 O ATOM 1602 CB MET B 3 -7.949 -1.796 18.628 1.00 4.14 C ATOM 1603 CG MET B 3 -9.389 -1.569 18.149 1.00 20.10 C ATOM 1604 SD MET B 3 -10.612 -1.943 19.424 1.00 21.20 S ATOM 1605 CE MET B 3 -12.139 -1.646 18.534 1.00 2.23 C ATOM 0 H MET B 3 -7.693 0.700 18.527 1.00 21.11 H new ATOM 0 HA MET B 3 -8.225 -1.143 20.658 1.00 21.22 H new ATOM 0 HB2 MET B 3 -7.269 -1.590 17.802 1.00 4.14 H new ATOM 0 HB3 MET B 3 -7.828 -2.848 18.886 1.00 4.14 H new ATOM 0 HG2 MET B 3 -9.504 -0.532 17.834 1.00 20.10 H new ATOM 0 HG3 MET B 3 -9.579 -2.191 17.274 1.00 20.10 H new ATOM 0 HE1 MET B 3 -12.987 -1.836 19.192 1.00 2.23 H new ATOM 0 HE2 MET B 3 -12.167 -0.610 18.195 1.00 2.23 H new ATOM 0 HE3 MET B 3 -12.193 -2.311 17.672 1.00 2.23 H new ATOM 1615 N GLN B 4 -5.967 -2.288 21.165 1.00 61.42 N ATOM 1616 CA GLN B 4 -4.662 -2.739 21.672 1.00 15.33 C ATOM 1617 C GLN B 4 -3.874 -3.409 20.527 1.00 35.34 C ATOM 1618 O GLN B 4 -4.115 -4.583 20.202 1.00 3.12 O ATOM 1619 CB GLN B 4 -4.852 -3.713 22.865 1.00 71.32 C ATOM 1620 CG GLN B 4 -3.541 -4.181 23.536 1.00 15.34 C ATOM 1621 CD GLN B 4 -3.735 -5.233 24.639 1.00 74.33 C ATOM 1622 OE1 GLN B 4 -2.881 -6.093 24.846 1.00 23.14 O ATOM 1623 NE2 GLN B 4 -4.842 -5.163 25.373 1.00 75.54 N ATOM 0 H GLN B 4 -6.759 -2.803 21.548 1.00 61.42 H new ATOM 0 HA GLN B 4 -4.095 -1.881 22.033 1.00 15.33 H new ATOM 0 HB2 GLN B 4 -5.475 -3.227 23.616 1.00 71.32 H new ATOM 0 HB3 GLN B 4 -5.398 -4.590 22.516 1.00 71.32 H new ATOM 0 HG2 GLN B 4 -2.882 -4.591 22.771 1.00 15.34 H new ATOM 0 HG3 GLN B 4 -3.035 -3.314 23.962 1.00 15.34 H new ATOM 0 HE21 GLN B 4 -5.536 -4.440 25.182 1.00 75.54 H new ATOM 0 HE22 GLN B 4 -4.997 -5.832 26.127 1.00 75.54 H new ATOM 1632 N ASN B 5 -2.975 -2.612 19.907 1.00 74.25 N ATOM 1633 CA ASN B 5 -2.174 -3.016 18.734 1.00 2.40 C ATOM 1634 C ASN B 5 -1.277 -4.226 19.069 1.00 64.41 C ATOM 1635 O ASN B 5 -0.226 -4.093 19.701 1.00 21.34 O ATOM 1636 CB ASN B 5 -1.330 -1.813 18.220 1.00 54.54 C ATOM 1637 CG ASN B 5 -0.423 -2.166 17.027 1.00 31.44 C ATOM 1638 OD1 ASN B 5 0.746 -2.523 17.190 1.00 4.21 O ATOM 1639 ND2 ASN B 5 -0.960 -2.087 15.827 1.00 1.04 N ATOM 0 H ASN B 5 -2.784 -1.658 20.213 1.00 74.25 H new ATOM 0 HA ASN B 5 -2.853 -3.322 17.938 1.00 2.40 H new ATOM 0 HB2 ASN B 5 -2.002 -1.006 17.929 1.00 54.54 H new ATOM 0 HB3 ASN B 5 -0.714 -1.436 19.036 1.00 54.54 H new ATOM 0 HD21 ASN B 5 -0.406 -2.324 15.004 1.00 1.04 H new ATOM 0 HD22 ASN B 5 -1.930 -1.789 15.721 1.00 1.04 H new ATOM 1646 N THR B 6 -1.766 -5.406 18.685 1.00 41.32 N ATOM 1647 CA THR B 6 -1.070 -6.691 18.826 1.00 20.44 C ATOM 1648 C THR B 6 -1.254 -7.482 17.524 1.00 74.23 C ATOM 1649 O THR B 6 -2.235 -7.249 16.800 1.00 31.41 O ATOM 1650 CB THR B 6 -1.631 -7.507 20.045 1.00 54.21 C ATOM 1651 OG1 THR B 6 -3.072 -7.575 19.969 1.00 61.40 O ATOM 1652 CG2 THR B 6 -1.220 -6.898 21.401 1.00 24.34 C ATOM 0 H THR B 6 -2.686 -5.499 18.254 1.00 41.32 H new ATOM 0 HA THR B 6 -0.011 -6.513 19.013 1.00 20.44 H new ATOM 0 HB THR B 6 -1.200 -8.507 19.987 1.00 54.21 H new ATOM 0 HG1 THR B 6 -3.376 -8.449 20.292 1.00 61.40 H new ATOM 0 HG21 THR B 6 -1.633 -7.500 22.210 1.00 24.34 H new ATOM 0 HG22 THR B 6 -0.133 -6.883 21.479 1.00 24.34 H new ATOM 0 HG23 THR B 6 -1.603 -5.880 21.474 1.00 24.34 H new ATOM 1660 N THR B 7 -0.326 -8.416 17.218 1.00 12.15 N ATOM 1661 CA THR B 7 -0.364 -9.193 15.961 1.00 13.11 C ATOM 1662 C THR B 7 -1.365 -10.388 16.070 1.00 0.12 C ATOM 1663 O THR B 7 -0.999 -11.565 16.141 1.00 3.34 O ATOM 1664 CB THR B 7 1.073 -9.621 15.485 1.00 32.31 C ATOM 1665 OG1 THR B 7 0.979 -10.335 14.247 1.00 21.33 O ATOM 1666 CG2 THR B 7 1.841 -10.469 16.524 1.00 24.20 C ATOM 0 H THR B 7 0.459 -8.649 17.826 1.00 12.15 H new ATOM 0 HA THR B 7 -0.744 -8.542 15.174 1.00 13.11 H new ATOM 0 HB THR B 7 1.645 -8.702 15.354 1.00 32.31 H new ATOM 0 HG1 THR B 7 1.674 -10.019 13.633 1.00 21.33 H new ATOM 0 HG21 THR B 7 2.823 -10.728 16.128 1.00 24.20 H new ATOM 0 HG22 THR B 7 1.960 -9.897 17.444 1.00 24.20 H new ATOM 0 HG23 THR B 7 1.282 -11.381 16.734 1.00 24.20 H new ATOM 1674 N HIS B 8 -2.650 -9.997 16.131 1.00 63.32 N ATOM 1675 CA HIS B 8 -3.844 -10.872 16.200 1.00 64.32 C ATOM 1676 C HIS B 8 -5.087 -9.969 16.283 1.00 23.42 C ATOM 1677 O HIS B 8 -6.186 -10.369 15.890 1.00 34.43 O ATOM 1678 CB HIS B 8 -3.812 -11.903 17.382 1.00 41.20 C ATOM 1679 CG HIS B 8 -3.692 -11.323 18.774 1.00 35.34 C ATOM 1680 ND1 HIS B 8 -2.536 -11.402 19.522 1.00 21.13 N ATOM 1681 CD2 HIS B 8 -4.601 -10.703 19.575 1.00 1.23 C ATOM 1682 CE1 HIS B 8 -2.739 -10.864 20.705 1.00 11.43 C ATOM 1683 NE2 HIS B 8 -3.978 -10.435 20.763 1.00 61.42 N ATOM 0 H HIS B 8 -2.902 -9.009 16.134 1.00 63.32 H new ATOM 0 HA HIS B 8 -3.866 -11.487 15.300 1.00 64.32 H new ATOM 0 HB2 HIS B 8 -4.722 -12.502 17.338 1.00 41.20 H new ATOM 0 HB3 HIS B 8 -2.975 -12.582 17.221 1.00 41.20 H new ATOM 0 HD2 HIS B 8 -5.624 -10.467 19.320 1.00 1.23 H new ATOM 0 HE1 HIS B 8 -2.008 -10.788 21.496 1.00 11.43 H new ATOM 0 HE2 HIS B 8 -4.408 -9.975 21.566 1.00 61.42 H new ATOM 1692 N ASP B 9 -4.892 -8.752 16.851 1.00 22.53 N ATOM 1693 CA ASP B 9 -5.874 -7.644 16.804 1.00 3.11 C ATOM 1694 C ASP B 9 -6.091 -7.215 15.347 1.00 51.14 C ATOM 1695 O ASP B 9 -7.223 -7.014 14.896 1.00 21.54 O ATOM 1696 CB ASP B 9 -5.357 -6.450 17.664 1.00 14.15 C ATOM 1697 CG ASP B 9 -6.170 -5.149 17.509 1.00 44.13 C ATOM 1698 OD1 ASP B 9 -7.410 -5.185 17.709 1.00 31.13 O ATOM 1699 OD2 ASP B 9 -5.577 -4.086 17.199 1.00 74.12 O ATOM 0 H ASP B 9 -4.040 -8.512 17.359 1.00 22.53 H new ATOM 0 HA ASP B 9 -6.828 -7.976 17.214 1.00 3.11 H new ATOM 0 HB2 ASP B 9 -5.364 -6.745 18.713 1.00 14.15 H new ATOM 0 HB3 ASP B 9 -4.320 -6.249 17.397 1.00 14.15 H new ATOM 1704 N ASN B 10 -4.978 -7.123 14.621 1.00 25.15 N ATOM 1705 CA ASN B 10 -4.975 -6.835 13.184 1.00 31.11 C ATOM 1706 C ASN B 10 -5.349 -8.111 12.392 1.00 25.03 C ATOM 1707 O ASN B 10 -5.283 -9.227 12.925 1.00 61.41 O ATOM 1708 CB ASN B 10 -3.584 -6.277 12.757 1.00 74.33 C ATOM 1709 CG ASN B 10 -2.419 -7.254 12.982 1.00 50.41 C ATOM 1710 OD1 ASN B 10 -2.483 -8.142 13.829 1.00 51.51 O ATOM 1711 ND2 ASN B 10 -1.330 -7.082 12.254 1.00 11.23 N ATOM 0 H ASN B 10 -4.045 -7.247 15.014 1.00 25.15 H new ATOM 0 HA ASN B 10 -5.721 -6.073 12.960 1.00 31.11 H new ATOM 0 HB2 ASN B 10 -3.621 -6.009 11.701 1.00 74.33 H new ATOM 0 HB3 ASN B 10 -3.387 -5.360 13.312 1.00 74.33 H new ATOM 0 HD21 ASN B 10 -0.524 -7.692 12.390 1.00 11.23 H new ATOM 0 HD22 ASN B 10 -1.295 -6.339 11.556 1.00 11.23 H new ATOM 1718 N VAL B 11 -5.753 -7.932 11.125 1.00 14.44 N ATOM 1719 CA VAL B 11 -6.216 -9.021 10.233 1.00 24.55 C ATOM 1720 C VAL B 11 -5.585 -8.823 8.848 1.00 72.33 C ATOM 1721 O VAL B 11 -5.303 -7.688 8.454 1.00 35.20 O ATOM 1722 CB VAL B 11 -7.796 -9.087 10.099 1.00 22.40 C ATOM 1723 CG1 VAL B 11 -8.472 -9.468 11.439 1.00 40.14 C ATOM 1724 CG2 VAL B 11 -8.381 -7.766 9.550 1.00 65.21 C ATOM 0 H VAL B 11 -5.770 -7.015 10.679 1.00 14.44 H new ATOM 0 HA VAL B 11 -5.903 -9.967 10.676 1.00 24.55 H new ATOM 0 HB VAL B 11 -8.015 -9.875 9.378 1.00 22.40 H new ATOM 0 HG11 VAL B 11 -9.553 -9.502 11.304 1.00 40.14 H new ATOM 0 HG12 VAL B 11 -8.115 -10.446 11.761 1.00 40.14 H new ATOM 0 HG13 VAL B 11 -8.224 -8.724 12.196 1.00 40.14 H new ATOM 0 HG21 VAL B 11 -9.465 -7.852 9.473 1.00 65.21 H new ATOM 0 HG22 VAL B 11 -8.129 -6.948 10.225 1.00 65.21 H new ATOM 0 HG23 VAL B 11 -7.962 -7.565 8.564 1.00 65.21 H new ATOM 1734 N ILE B 12 -5.358 -9.929 8.123 1.00 23.21 N ATOM 1735 CA ILE B 12 -4.760 -9.906 6.783 1.00 14.21 C ATOM 1736 C ILE B 12 -5.887 -9.929 5.721 1.00 12.23 C ATOM 1737 O ILE B 12 -6.399 -10.997 5.364 1.00 73.21 O ATOM 1738 CB ILE B 12 -3.807 -11.140 6.551 1.00 13.41 C ATOM 1739 CG1 ILE B 12 -2.728 -11.303 7.654 1.00 14.31 C ATOM 1740 CG2 ILE B 12 -3.132 -11.052 5.187 1.00 51.30 C ATOM 1741 CD1 ILE B 12 -1.599 -10.286 7.648 1.00 64.10 C ATOM 0 H ILE B 12 -5.586 -10.867 8.453 1.00 23.21 H new ATOM 0 HA ILE B 12 -4.166 -8.996 6.693 1.00 14.21 H new ATOM 0 HB ILE B 12 -4.447 -12.022 6.595 1.00 13.41 H new ATOM 0 HG12 ILE B 12 -3.222 -11.260 8.625 1.00 14.31 H new ATOM 0 HG13 ILE B 12 -2.292 -12.298 7.562 1.00 14.31 H new ATOM 0 HG21 ILE B 12 -2.479 -11.914 5.048 1.00 51.30 H new ATOM 0 HG22 ILE B 12 -3.891 -11.042 4.405 1.00 51.30 H new ATOM 0 HG23 ILE B 12 -2.542 -10.137 5.131 1.00 51.30 H new ATOM 0 HD11 ILE B 12 -0.909 -10.503 8.464 1.00 64.10 H new ATOM 0 HD12 ILE B 12 -1.066 -10.339 6.698 1.00 64.10 H new ATOM 0 HD13 ILE B 12 -2.010 -9.285 7.778 1.00 64.10 H new ATOM 1753 N LEU B 13 -6.306 -8.750 5.256 1.00 64.34 N ATOM 1754 CA LEU B 13 -7.350 -8.633 4.223 1.00 54.02 C ATOM 1755 C LEU B 13 -6.710 -8.585 2.838 1.00 5.03 C ATOM 1756 O LEU B 13 -6.256 -7.519 2.402 1.00 52.54 O ATOM 1757 CB LEU B 13 -8.219 -7.370 4.471 1.00 32.14 C ATOM 1758 CG LEU B 13 -8.908 -7.304 5.862 1.00 0.45 C ATOM 1759 CD1 LEU B 13 -9.755 -6.038 6.013 1.00 33.11 C ATOM 1760 CD2 LEU B 13 -9.741 -8.569 6.130 1.00 75.44 C ATOM 0 H LEU B 13 -5.938 -7.855 5.578 1.00 64.34 H new ATOM 0 HA LEU B 13 -7.999 -9.507 4.276 1.00 54.02 H new ATOM 0 HB2 LEU B 13 -7.591 -6.487 4.352 1.00 32.14 H new ATOM 0 HB3 LEU B 13 -8.988 -7.320 3.700 1.00 32.14 H new ATOM 0 HG LEU B 13 -8.121 -7.258 6.614 1.00 0.45 H new ATOM 0 HD11 LEU B 13 -10.221 -6.027 6.998 1.00 33.11 H new ATOM 0 HD12 LEU B 13 -9.119 -5.160 5.903 1.00 33.11 H new ATOM 0 HD13 LEU B 13 -10.529 -6.024 5.246 1.00 33.11 H new ATOM 0 HD21 LEU B 13 -10.211 -8.494 7.111 1.00 75.44 H new ATOM 0 HD22 LEU B 13 -10.511 -8.666 5.365 1.00 75.44 H new ATOM 0 HD23 LEU B 13 -9.092 -9.444 6.105 1.00 75.44 H new ATOM 1772 N GLU B 14 -6.648 -9.740 2.144 1.00 2.41 N ATOM 1773 CA GLU B 14 -6.046 -9.786 0.805 1.00 32.22 C ATOM 1774 C GLU B 14 -7.106 -9.469 -0.254 1.00 55.43 C ATOM 1775 O GLU B 14 -8.034 -10.250 -0.514 1.00 43.13 O ATOM 1776 CB GLU B 14 -5.308 -11.114 0.498 1.00 72.05 C ATOM 1777 CG GLU B 14 -6.126 -12.405 0.595 1.00 61.43 C ATOM 1778 CD GLU B 14 -5.348 -13.623 0.072 1.00 5.34 C ATOM 1779 OE1 GLU B 14 -5.406 -13.908 -1.149 1.00 72.12 O ATOM 1780 OE2 GLU B 14 -4.640 -14.278 0.874 1.00 65.23 O ATOM 0 H GLU B 14 -7.001 -10.634 2.484 1.00 2.41 H new ATOM 0 HA GLU B 14 -5.271 -9.020 0.778 1.00 32.22 H new ATOM 0 HB2 GLU B 14 -4.898 -11.048 -0.510 1.00 72.05 H new ATOM 0 HB3 GLU B 14 -4.463 -11.197 1.181 1.00 72.05 H new ATOM 0 HG2 GLU B 14 -6.411 -12.576 1.633 1.00 61.43 H new ATOM 0 HG3 GLU B 14 -7.049 -12.293 0.025 1.00 61.43 H new ATOM 1787 N LEU B 15 -6.995 -8.258 -0.804 1.00 3.25 N ATOM 1788 CA LEU B 15 -7.786 -7.834 -1.943 1.00 13.12 C ATOM 1789 C LEU B 15 -6.950 -8.058 -3.194 1.00 54.33 C ATOM 1790 O LEU B 15 -5.928 -7.393 -3.390 1.00 72.13 O ATOM 1791 CB LEU B 15 -8.191 -6.347 -1.823 1.00 53.25 C ATOM 1792 CG LEU B 15 -8.927 -5.939 -0.513 1.00 20.55 C ATOM 1793 CD1 LEU B 15 -9.389 -4.479 -0.588 1.00 23.33 C ATOM 1794 CD2 LEU B 15 -10.108 -6.883 -0.207 1.00 60.34 C ATOM 0 H LEU B 15 -6.348 -7.546 -0.464 1.00 3.25 H new ATOM 0 HA LEU B 15 -8.709 -8.413 -1.988 1.00 13.12 H new ATOM 0 HB2 LEU B 15 -7.291 -5.738 -1.914 1.00 53.25 H new ATOM 0 HB3 LEU B 15 -8.832 -6.097 -2.668 1.00 53.25 H new ATOM 0 HG LEU B 15 -8.219 -6.032 0.311 1.00 20.55 H new ATOM 0 HD11 LEU B 15 -9.901 -4.212 0.336 1.00 23.33 H new ATOM 0 HD12 LEU B 15 -8.524 -3.830 -0.724 1.00 23.33 H new ATOM 0 HD13 LEU B 15 -10.071 -4.356 -1.429 1.00 23.33 H new ATOM 0 HD21 LEU B 15 -10.597 -6.567 0.714 1.00 60.34 H new ATOM 0 HD22 LEU B 15 -10.824 -6.848 -1.028 1.00 60.34 H new ATOM 0 HD23 LEU B 15 -9.739 -7.902 -0.090 1.00 60.34 H new ATOM 1806 N THR B 16 -7.375 -9.001 -4.028 1.00 1.34 N ATOM 1807 CA THR B 16 -6.690 -9.282 -5.285 1.00 55.43 C ATOM 1808 C THR B 16 -7.259 -8.337 -6.310 1.00 70.25 C ATOM 1809 O THR B 16 -8.356 -8.547 -6.779 1.00 71.21 O ATOM 1810 CB THR B 16 -6.896 -10.745 -5.761 1.00 1.12 C ATOM 1811 OG1 THR B 16 -6.417 -11.645 -4.756 1.00 32.02 O ATOM 1812 CG2 THR B 16 -6.194 -11.024 -7.108 1.00 14.04 C ATOM 0 H THR B 16 -8.193 -9.585 -3.856 1.00 1.34 H new ATOM 0 HA THR B 16 -5.617 -9.148 -5.147 1.00 55.43 H new ATOM 0 HB THR B 16 -7.963 -10.899 -5.919 1.00 1.12 H new ATOM 0 HG1 THR B 16 -5.926 -11.142 -4.074 1.00 32.02 H new ATOM 0 HG21 THR B 16 -6.366 -12.060 -7.400 1.00 14.04 H new ATOM 0 HG22 THR B 16 -6.596 -10.359 -7.873 1.00 14.04 H new ATOM 0 HG23 THR B 16 -5.123 -10.850 -7.003 1.00 14.04 H new ATOM 1820 N VAL B 17 -6.543 -7.256 -6.586 1.00 30.44 N ATOM 1821 CA VAL B 17 -7.001 -6.247 -7.520 1.00 34.22 C ATOM 1822 C VAL B 17 -6.193 -6.333 -8.812 1.00 65.00 C ATOM 1823 O VAL B 17 -4.984 -6.562 -8.792 1.00 25.23 O ATOM 1824 CB VAL B 17 -6.929 -4.804 -6.898 1.00 14.41 C ATOM 1825 CG1 VAL B 17 -7.475 -4.794 -5.444 1.00 53.13 C ATOM 1826 CG2 VAL B 17 -5.516 -4.172 -6.980 1.00 52.22 C ATOM 0 H VAL B 17 -5.633 -7.058 -6.169 1.00 30.44 H new ATOM 0 HA VAL B 17 -8.049 -6.441 -7.747 1.00 34.22 H new ATOM 0 HB VAL B 17 -7.574 -4.173 -7.510 1.00 14.41 H new ATOM 0 HG11 VAL B 17 -7.413 -3.784 -5.039 1.00 53.13 H new ATOM 0 HG12 VAL B 17 -8.514 -5.122 -5.443 1.00 53.13 H new ATOM 0 HG13 VAL B 17 -6.881 -5.469 -4.828 1.00 53.13 H new ATOM 0 HG21 VAL B 17 -5.536 -3.178 -6.534 1.00 52.22 H new ATOM 0 HG22 VAL B 17 -4.806 -4.798 -6.440 1.00 52.22 H new ATOM 0 HG23 VAL B 17 -5.212 -4.095 -8.024 1.00 52.22 H new ATOM 1836 N ARG B 18 -6.883 -6.211 -9.936 1.00 43.52 N ATOM 1837 CA ARG B 18 -6.237 -5.989 -11.231 1.00 30.25 C ATOM 1838 C ARG B 18 -6.052 -4.481 -11.409 1.00 14.13 C ATOM 1839 O ARG B 18 -6.927 -3.704 -11.008 1.00 54.42 O ATOM 1840 CB ARG B 18 -7.044 -6.646 -12.376 1.00 14.35 C ATOM 1841 CG ARG B 18 -8.539 -6.307 -12.444 1.00 14.11 C ATOM 1842 CD ARG B 18 -9.266 -7.146 -13.505 1.00 25.53 C ATOM 1843 NE ARG B 18 -8.645 -7.016 -14.846 1.00 52.24 N ATOM 1844 CZ ARG B 18 -9.283 -6.625 -15.962 1.00 42.53 C ATOM 1845 NH1 ARG B 18 -10.576 -6.312 -15.936 1.00 64.34 N ATOM 1846 NH2 ARG B 18 -8.606 -6.559 -17.100 1.00 64.24 N ATOM 0 H ARG B 18 -7.901 -6.262 -9.982 1.00 43.52 H new ATOM 0 HA ARG B 18 -5.257 -6.466 -11.264 1.00 30.25 H new ATOM 0 HB2 ARG B 18 -6.586 -6.360 -13.323 1.00 14.35 H new ATOM 0 HB3 ARG B 18 -6.943 -7.728 -12.287 1.00 14.35 H new ATOM 0 HG2 ARG B 18 -8.995 -6.479 -11.469 1.00 14.11 H new ATOM 0 HG3 ARG B 18 -8.662 -5.248 -12.671 1.00 14.11 H new ATOM 0 HD2 ARG B 18 -9.260 -8.194 -13.204 1.00 25.53 H new ATOM 0 HD3 ARG B 18 -10.310 -6.836 -13.558 1.00 25.53 H new ATOM 0 HE ARG B 18 -7.654 -7.242 -14.927 1.00 52.24 H new ATOM 0 HH11 ARG B 18 -11.097 -6.367 -15.061 1.00 64.34 H new ATOM 0 HH12 ARG B 18 -11.047 -6.017 -16.791 1.00 64.34 H new ATOM 0 HH21 ARG B 18 -7.616 -6.803 -17.119 1.00 64.24 H new ATOM 0 HH22 ARG B 18 -9.075 -6.264 -17.956 1.00 64.24 H new ATOM 1860 N ASN B 19 -4.895 -4.084 -11.980 1.00 53.44 N ATOM 1861 CA ASN B 19 -4.412 -2.686 -11.963 1.00 22.24 C ATOM 1862 C ASN B 19 -5.240 -1.772 -12.897 1.00 1.24 C ATOM 1863 O ASN B 19 -4.883 -1.521 -14.054 1.00 41.43 O ATOM 1864 CB ASN B 19 -2.883 -2.625 -12.279 1.00 71.40 C ATOM 1865 CG ASN B 19 -2.003 -3.355 -11.239 1.00 21.21 C ATOM 1866 OD1 ASN B 19 -2.391 -4.378 -10.675 1.00 40.02 O ATOM 1867 ND2 ASN B 19 -0.809 -2.826 -10.970 1.00 63.24 N ATOM 0 H ASN B 19 -4.268 -4.725 -12.467 1.00 53.44 H new ATOM 0 HA ASN B 19 -4.556 -2.297 -10.955 1.00 22.24 H new ATOM 0 HB2 ASN B 19 -2.707 -3.062 -13.262 1.00 71.40 H new ATOM 0 HB3 ASN B 19 -2.574 -1.581 -12.334 1.00 71.40 H new ATOM 0 HD21 ASN B 19 -0.197 -3.270 -10.285 1.00 63.24 H new ATOM 0 HD22 ASN B 19 -0.507 -1.978 -11.449 1.00 63.24 H new ATOM 1874 N HIS B 20 -6.392 -1.350 -12.358 1.00 74.15 N ATOM 1875 CA HIS B 20 -7.267 -0.299 -12.915 1.00 1.44 C ATOM 1876 C HIS B 20 -6.685 1.099 -12.574 1.00 13.02 C ATOM 1877 O HIS B 20 -5.763 1.188 -11.751 1.00 62.13 O ATOM 1878 CB HIS B 20 -8.704 -0.457 -12.320 1.00 34.10 C ATOM 1879 CG HIS B 20 -9.423 -1.718 -12.712 1.00 4.43 C ATOM 1880 ND1 HIS B 20 -9.895 -1.960 -13.981 1.00 2.20 N ATOM 1881 CD2 HIS B 20 -9.772 -2.797 -11.984 1.00 61.44 C ATOM 1882 CE1 HIS B 20 -10.507 -3.125 -14.009 1.00 44.35 C ATOM 1883 NE2 HIS B 20 -10.441 -3.652 -12.811 1.00 73.10 N ATOM 0 H HIS B 20 -6.757 -1.743 -11.490 1.00 74.15 H new ATOM 0 HA HIS B 20 -7.321 -0.396 -13.999 1.00 1.44 H new ATOM 0 HB2 HIS B 20 -8.636 -0.419 -11.233 1.00 34.10 H new ATOM 0 HB3 HIS B 20 -9.305 0.397 -12.632 1.00 34.10 H new ATOM 0 HD2 HIS B 20 -9.561 -2.956 -10.937 1.00 61.44 H new ATOM 0 HE1 HIS B 20 -10.982 -3.570 -14.871 1.00 44.35 H new ATOM 0 HE2 HIS B 20 -10.828 -4.556 -12.540 1.00 73.10 H new ATOM 1892 N PRO B 21 -7.174 2.207 -13.226 1.00 73.44 N ATOM 1893 CA PRO B 21 -6.780 3.599 -12.866 1.00 42.02 C ATOM 1894 C PRO B 21 -6.935 3.917 -11.351 1.00 53.04 C ATOM 1895 O PRO B 21 -8.052 4.116 -10.862 1.00 21.23 O ATOM 1896 CB PRO B 21 -7.740 4.467 -13.730 1.00 75.41 C ATOM 1897 CG PRO B 21 -8.033 3.617 -14.929 1.00 64.42 C ATOM 1898 CD PRO B 21 -8.095 2.197 -14.408 1.00 41.23 C ATOM 0 HA PRO B 21 -5.723 3.784 -13.057 1.00 42.02 H new ATOM 0 HB2 PRO B 21 -8.651 4.714 -13.185 1.00 75.41 H new ATOM 0 HB3 PRO B 21 -7.274 5.410 -14.016 1.00 75.41 H new ATOM 0 HG2 PRO B 21 -8.975 3.906 -15.395 1.00 64.42 H new ATOM 0 HG3 PRO B 21 -7.256 3.724 -15.686 1.00 64.42 H new ATOM 0 HD2 PRO B 21 -9.110 1.920 -14.122 1.00 41.23 H new ATOM 0 HD3 PRO B 21 -7.770 1.480 -15.162 1.00 41.23 H new ATOM 1906 N GLY B 22 -5.793 3.897 -10.623 1.00 2.40 N ATOM 1907 CA GLY B 22 -5.730 4.303 -9.213 1.00 52.44 C ATOM 1908 C GLY B 22 -6.521 3.417 -8.249 1.00 73.31 C ATOM 1909 O GLY B 22 -7.373 3.919 -7.504 1.00 24.02 O ATOM 0 H GLY B 22 -4.895 3.598 -11.003 1.00 2.40 H new ATOM 0 HA2 GLY B 22 -4.686 4.313 -8.900 1.00 52.44 H new ATOM 0 HA3 GLY B 22 -6.098 5.325 -9.128 1.00 52.44 H new ATOM 1913 N VAL B 23 -6.230 2.103 -8.242 1.00 2.23 N ATOM 1914 CA VAL B 23 -6.925 1.142 -7.350 1.00 53.42 C ATOM 1915 C VAL B 23 -6.496 1.331 -5.887 1.00 2.22 C ATOM 1916 O VAL B 23 -7.304 1.178 -4.964 1.00 52.44 O ATOM 1917 CB VAL B 23 -6.671 -0.357 -7.725 1.00 12.34 C ATOM 1918 CG1 VAL B 23 -7.645 -1.269 -6.956 1.00 11.55 C ATOM 1919 CG2 VAL B 23 -6.768 -0.597 -9.230 1.00 10.31 C ATOM 0 H VAL B 23 -5.521 1.678 -8.840 1.00 2.23 H new ATOM 0 HA VAL B 23 -7.985 1.359 -7.480 1.00 53.42 H new ATOM 0 HB VAL B 23 -5.651 -0.604 -7.432 1.00 12.34 H new ATOM 0 HG11 VAL B 23 -7.459 -2.309 -7.225 1.00 11.55 H new ATOM 0 HG12 VAL B 23 -7.496 -1.139 -5.884 1.00 11.55 H new ATOM 0 HG13 VAL B 23 -8.671 -1.006 -7.214 1.00 11.55 H new ATOM 0 HG21 VAL B 23 -6.585 -1.650 -9.443 1.00 10.31 H new ATOM 0 HG22 VAL B 23 -7.764 -0.324 -9.578 1.00 10.31 H new ATOM 0 HG23 VAL B 23 -6.024 0.012 -9.744 1.00 10.31 H new ATOM 1929 N MET B 24 -5.206 1.633 -5.691 1.00 4.30 N ATOM 1930 CA MET B 24 -4.630 1.873 -4.361 1.00 52.35 C ATOM 1931 C MET B 24 -5.331 3.060 -3.653 1.00 14.15 C ATOM 1932 O MET B 24 -5.413 3.087 -2.424 1.00 73.41 O ATOM 1933 CB MET B 24 -3.091 2.066 -4.450 1.00 23.35 C ATOM 1934 CG MET B 24 -2.606 3.220 -5.349 1.00 61.43 C ATOM 1935 SD MET B 24 -2.927 2.980 -7.116 1.00 61.35 S ATOM 1936 CE MET B 24 -2.172 4.459 -7.810 1.00 41.31 C ATOM 0 H MET B 24 -4.531 1.718 -6.451 1.00 4.30 H new ATOM 0 HA MET B 24 -4.808 0.990 -3.747 1.00 52.35 H new ATOM 0 HB2 MET B 24 -2.706 2.230 -3.443 1.00 23.35 H new ATOM 0 HB3 MET B 24 -2.649 1.138 -4.813 1.00 23.35 H new ATOM 0 HG2 MET B 24 -3.089 4.143 -5.027 1.00 61.43 H new ATOM 0 HG3 MET B 24 -1.534 3.353 -5.202 1.00 61.43 H new ATOM 0 HE1 MET B 24 -1.744 4.226 -8.785 1.00 41.31 H new ATOM 0 HE2 MET B 24 -2.929 5.235 -7.922 1.00 41.31 H new ATOM 0 HE3 MET B 24 -1.385 4.813 -7.144 1.00 41.31 H new ATOM 1946 N THR B 25 -5.859 4.008 -4.454 1.00 32.31 N ATOM 1947 CA THR B 25 -6.656 5.145 -3.956 1.00 71.13 C ATOM 1948 C THR B 25 -8.060 4.679 -3.473 1.00 5.21 C ATOM 1949 O THR B 25 -8.669 5.293 -2.585 1.00 72.25 O ATOM 1950 CB THR B 25 -6.793 6.248 -5.062 1.00 21.44 C ATOM 1951 OG1 THR B 25 -5.544 6.380 -5.773 1.00 54.42 O ATOM 1952 CG2 THR B 25 -7.176 7.624 -4.471 1.00 54.43 C ATOM 0 H THR B 25 -5.744 4.005 -5.467 1.00 32.31 H new ATOM 0 HA THR B 25 -6.132 5.573 -3.101 1.00 71.13 H new ATOM 0 HB THR B 25 -7.590 5.933 -5.735 1.00 21.44 H new ATOM 0 HG1 THR B 25 -5.632 7.069 -6.465 1.00 54.42 H new ATOM 0 HG21 THR B 25 -7.259 8.355 -5.275 1.00 54.43 H new ATOM 0 HG22 THR B 25 -8.132 7.544 -3.953 1.00 54.43 H new ATOM 0 HG23 THR B 25 -6.408 7.944 -3.767 1.00 54.43 H new ATOM 1960 N HIS B 26 -8.568 3.587 -4.074 1.00 72.51 N ATOM 1961 CA HIS B 26 -9.877 2.996 -3.715 1.00 21.22 C ATOM 1962 C HIS B 26 -9.766 2.234 -2.383 1.00 41.43 C ATOM 1963 O HIS B 26 -10.566 2.455 -1.466 1.00 1.01 O ATOM 1964 CB HIS B 26 -10.386 2.041 -4.836 1.00 73.05 C ATOM 1965 CG HIS B 26 -10.515 2.671 -6.205 1.00 0.00 C ATOM 1966 ND1 HIS B 26 -10.726 1.937 -7.352 1.00 42.22 N ATOM 1967 CD2 HIS B 26 -10.466 3.964 -6.604 1.00 44.33 C ATOM 1968 CE1 HIS B 26 -10.799 2.748 -8.385 1.00 14.11 C ATOM 1969 NE2 HIS B 26 -10.648 3.982 -7.957 1.00 32.13 N ATOM 0 H HIS B 26 -8.086 3.088 -4.821 1.00 72.51 H new ATOM 0 HA HIS B 26 -10.597 3.807 -3.605 1.00 21.22 H new ATOM 0 HB2 HIS B 26 -9.705 1.193 -4.906 1.00 73.05 H new ATOM 0 HB3 HIS B 26 -11.358 1.646 -4.542 1.00 73.05 H new ATOM 0 HD2 HIS B 26 -10.311 4.823 -5.969 1.00 44.33 H new ATOM 0 HE1 HIS B 26 -10.956 2.451 -9.411 1.00 14.11 H new ATOM 0 HE2 HIS B 26 -10.664 4.818 -8.541 1.00 32.13 H new ATOM 1978 N VAL B 27 -8.739 1.362 -2.278 1.00 3.10 N ATOM 1979 CA VAL B 27 -8.547 0.496 -1.095 1.00 31.30 C ATOM 1980 C VAL B 27 -8.224 1.333 0.163 1.00 33.40 C ATOM 1981 O VAL B 27 -8.677 1.007 1.260 1.00 4.44 O ATOM 1982 CB VAL B 27 -7.446 -0.618 -1.332 1.00 13.13 C ATOM 1983 CG1 VAL B 27 -7.754 -1.449 -2.604 1.00 33.10 C ATOM 1984 CG2 VAL B 27 -6.013 -0.042 -1.385 1.00 12.33 C ATOM 0 H VAL B 27 -8.029 1.240 -3.000 1.00 3.10 H new ATOM 0 HA VAL B 27 -9.492 -0.022 -0.930 1.00 31.30 H new ATOM 0 HB VAL B 27 -7.487 -1.280 -0.467 1.00 13.13 H new ATOM 0 HG11 VAL B 27 -6.981 -2.205 -2.740 1.00 33.10 H new ATOM 0 HG12 VAL B 27 -8.723 -1.936 -2.495 1.00 33.10 H new ATOM 0 HG13 VAL B 27 -7.775 -0.791 -3.473 1.00 33.10 H new ATOM 0 HG21 VAL B 27 -5.301 -0.851 -1.549 1.00 12.33 H new ATOM 0 HG22 VAL B 27 -5.940 0.677 -2.201 1.00 12.33 H new ATOM 0 HG23 VAL B 27 -5.786 0.455 -0.442 1.00 12.33 H new ATOM 1994 N CYS B 28 -7.480 2.441 -0.024 1.00 73.45 N ATOM 1995 CA CYS B 28 -7.127 3.352 1.069 1.00 40.35 C ATOM 1996 C CYS B 28 -8.362 4.134 1.545 1.00 24.33 C ATOM 1997 O CYS B 28 -8.462 4.469 2.724 1.00 24.21 O ATOM 1998 CB CYS B 28 -6.034 4.316 0.604 1.00 20.23 C ATOM 1999 SG CYS B 28 -6.537 5.444 -0.696 1.00 23.24 S ATOM 0 H CYS B 28 -7.112 2.723 -0.932 1.00 73.45 H new ATOM 0 HA CYS B 28 -6.753 2.765 1.908 1.00 40.35 H new ATOM 0 HB2 CYS B 28 -5.693 4.898 1.460 1.00 20.23 H new ATOM 0 HB3 CYS B 28 -5.181 3.735 0.253 1.00 20.23 H new ATOM 0 HG CYS B 28 -5.483 5.918 -1.291 1.00 23.24 H new ATOM 2005 N GLY B 29 -9.297 4.390 0.600 1.00 61.20 N ATOM 2006 CA GLY B 29 -10.554 5.079 0.887 1.00 73.11 C ATOM 2007 C GLY B 29 -11.415 4.349 1.919 1.00 62.31 C ATOM 2008 O GLY B 29 -11.773 4.928 2.948 1.00 53.25 O ATOM 0 H GLY B 29 -9.191 4.121 -0.378 1.00 61.20 H new ATOM 0 HA2 GLY B 29 -10.336 6.084 1.249 1.00 73.11 H new ATOM 0 HA3 GLY B 29 -11.121 5.189 -0.038 1.00 73.11 H new ATOM 2012 N LEU B 30 -11.691 3.054 1.661 1.00 53.32 N ATOM 2013 CA LEU B 30 -12.570 2.223 2.522 1.00 73.41 C ATOM 2014 C LEU B 30 -11.968 2.012 3.930 1.00 4.31 C ATOM 2015 O LEU B 30 -12.686 2.003 4.940 1.00 12.34 O ATOM 2016 CB LEU B 30 -12.876 0.856 1.839 1.00 44.54 C ATOM 2017 CG LEU B 30 -13.966 0.863 0.706 1.00 61.11 C ATOM 2018 CD1 LEU B 30 -15.305 1.454 1.204 1.00 4.12 C ATOM 2019 CD2 LEU B 30 -13.492 1.576 -0.582 1.00 70.42 C ATOM 0 H LEU B 30 -11.315 2.553 0.856 1.00 53.32 H new ATOM 0 HA LEU B 30 -13.507 2.765 2.650 1.00 73.41 H new ATOM 0 HB2 LEU B 30 -11.948 0.471 1.416 1.00 44.54 H new ATOM 0 HB3 LEU B 30 -13.191 0.153 2.610 1.00 44.54 H new ATOM 0 HG LEU B 30 -14.133 -0.182 0.444 1.00 61.11 H new ATOM 0 HD11 LEU B 30 -16.032 1.442 0.392 1.00 4.12 H new ATOM 0 HD12 LEU B 30 -15.679 0.857 2.036 1.00 4.12 H new ATOM 0 HD13 LEU B 30 -15.149 2.481 1.535 1.00 4.12 H new ATOM 0 HD21 LEU B 30 -14.287 1.548 -1.327 1.00 70.42 H new ATOM 0 HD22 LEU B 30 -13.244 2.613 -0.354 1.00 70.42 H new ATOM 0 HD23 LEU B 30 -12.610 1.070 -0.974 1.00 70.42 H new ATOM 2031 N PHE B 31 -10.645 1.874 3.973 1.00 63.33 N ATOM 2032 CA PHE B 31 -9.881 1.617 5.210 1.00 43.34 C ATOM 2033 C PHE B 31 -9.666 2.900 6.036 1.00 32.31 C ATOM 2034 O PHE B 31 -9.449 2.827 7.245 1.00 23.32 O ATOM 2035 CB PHE B 31 -8.559 0.885 4.867 1.00 41.22 C ATOM 2036 CG PHE B 31 -8.776 -0.589 4.479 1.00 52.12 C ATOM 2037 CD1 PHE B 31 -9.601 -0.942 3.404 1.00 13.15 C ATOM 2038 CD2 PHE B 31 -8.175 -1.618 5.199 1.00 12.32 C ATOM 2039 CE1 PHE B 31 -9.824 -2.261 3.072 1.00 3.52 C ATOM 2040 CE2 PHE B 31 -8.396 -2.937 4.860 1.00 5.43 C ATOM 2041 CZ PHE B 31 -9.218 -3.259 3.798 1.00 2.33 C ATOM 0 H PHE B 31 -10.057 1.937 3.142 1.00 63.33 H new ATOM 0 HA PHE B 31 -10.466 0.960 5.854 1.00 43.34 H new ATOM 0 HB2 PHE B 31 -8.065 1.403 4.045 1.00 41.22 H new ATOM 0 HB3 PHE B 31 -7.888 0.935 5.725 1.00 41.22 H new ATOM 0 HD1 PHE B 31 -10.073 -0.164 2.822 1.00 13.15 H new ATOM 0 HD2 PHE B 31 -7.529 -1.381 6.032 1.00 12.32 H new ATOM 0 HE1 PHE B 31 -10.472 -2.510 2.245 1.00 3.52 H new ATOM 0 HE2 PHE B 31 -7.923 -3.723 5.429 1.00 5.43 H new ATOM 0 HZ PHE B 31 -9.385 -4.294 3.538 1.00 2.33 H new ATOM 2051 N ALA B 32 -9.701 4.062 5.374 1.00 25.22 N ATOM 2052 CA ALA B 32 -9.644 5.373 6.054 1.00 53.20 C ATOM 2053 C ALA B 32 -10.995 5.735 6.711 1.00 23.24 C ATOM 2054 O ALA B 32 -11.028 6.442 7.726 1.00 73.43 O ATOM 2055 CB ALA B 32 -9.222 6.465 5.059 1.00 14.10 C ATOM 0 H ALA B 32 -9.769 4.127 4.358 1.00 25.22 H new ATOM 0 HA ALA B 32 -8.901 5.306 6.849 1.00 53.20 H new ATOM 0 HB1 ALA B 32 -9.183 7.427 5.570 1.00 14.10 H new ATOM 0 HB2 ALA B 32 -8.238 6.228 4.655 1.00 14.10 H new ATOM 0 HB3 ALA B 32 -9.946 6.515 4.245 1.00 14.10 H new ATOM 2061 N ARG B 33 -12.115 5.233 6.139 1.00 3.22 N ATOM 2062 CA ARG B 33 -13.475 5.721 6.482 1.00 2.22 C ATOM 2063 C ARG B 33 -14.198 4.779 7.456 1.00 2.12 C ATOM 2064 O ARG B 33 -15.258 5.136 7.990 1.00 31.43 O ATOM 2065 CB ARG B 33 -14.318 5.921 5.195 1.00 54.45 C ATOM 2066 CG ARG B 33 -14.663 4.616 4.450 1.00 2.51 C ATOM 2067 CD ARG B 33 -15.421 4.844 3.135 1.00 74.15 C ATOM 2068 NE ARG B 33 -16.711 5.518 3.344 1.00 70.52 N ATOM 2069 CZ ARG B 33 -17.667 5.660 2.414 1.00 21.11 C ATOM 2070 NH1 ARG B 33 -17.506 5.176 1.183 1.00 23.24 N ATOM 2071 NH2 ARG B 33 -18.783 6.300 2.723 1.00 60.32 N ATOM 0 H ARG B 33 -12.105 4.491 5.439 1.00 3.22 H new ATOM 0 HA ARG B 33 -13.359 6.681 6.985 1.00 2.22 H new ATOM 0 HB2 ARG B 33 -15.245 6.431 5.458 1.00 54.45 H new ATOM 0 HB3 ARG B 33 -13.774 6.579 4.517 1.00 54.45 H new ATOM 0 HG2 ARG B 33 -13.742 4.073 4.240 1.00 2.51 H new ATOM 0 HG3 ARG B 33 -15.265 3.983 5.102 1.00 2.51 H new ATOM 0 HD2 ARG B 33 -14.806 5.442 2.463 1.00 74.15 H new ATOM 0 HD3 ARG B 33 -15.590 3.885 2.645 1.00 74.15 H new ATOM 0 HE ARG B 33 -16.893 5.908 4.269 1.00 70.52 H new ATOM 0 HH11 ARG B 33 -16.645 4.688 0.935 1.00 23.24 H new ATOM 0 HH12 ARG B 33 -18.244 5.293 0.488 1.00 23.24 H new ATOM 0 HH21 ARG B 33 -18.910 6.680 3.661 1.00 60.32 H new ATOM 0 HH22 ARG B 33 -19.516 6.414 2.023 1.00 60.32 H new ATOM 2085 N ARG B 34 -13.636 3.568 7.664 1.00 31.43 N ATOM 2086 CA ARG B 34 -14.190 2.589 8.613 1.00 62.41 C ATOM 2087 C ARG B 34 -14.114 3.139 10.056 1.00 13.00 C ATOM 2088 O ARG B 34 -15.137 3.220 10.742 1.00 75.01 O ATOM 2089 CB ARG B 34 -13.463 1.214 8.504 1.00 44.01 C ATOM 2090 CG ARG B 34 -11.909 1.272 8.518 1.00 24.23 C ATOM 2091 CD ARG B 34 -11.253 0.136 9.314 1.00 41.23 C ATOM 2092 NE ARG B 34 -11.586 0.198 10.746 1.00 33.34 N ATOM 2093 CZ ARG B 34 -10.713 -0.004 11.744 1.00 73.23 C ATOM 2094 NH1 ARG B 34 -9.441 -0.259 11.484 1.00 41.34 N ATOM 2095 NH2 ARG B 34 -11.128 0.042 13.004 1.00 15.34 N ATOM 0 H ARG B 34 -12.795 3.248 7.183 1.00 31.43 H new ATOM 0 HA ARG B 34 -15.237 2.426 8.356 1.00 62.41 H new ATOM 0 HB2 ARG B 34 -13.792 0.583 9.329 1.00 44.01 H new ATOM 0 HB3 ARG B 34 -13.782 0.727 7.583 1.00 44.01 H new ATOM 0 HG2 ARG B 34 -11.545 1.241 7.491 1.00 24.23 H new ATOM 0 HG3 ARG B 34 -11.594 2.227 8.939 1.00 24.23 H new ATOM 0 HD2 ARG B 34 -11.576 -0.823 8.909 1.00 41.23 H new ATOM 0 HD3 ARG B 34 -10.171 0.186 9.192 1.00 41.23 H new ATOM 0 HE ARG B 34 -12.551 0.410 10.998 1.00 33.34 H new ATOM 0 HH11 ARG B 34 -9.117 -0.303 10.518 1.00 41.34 H new ATOM 0 HH12 ARG B 34 -8.785 -0.411 12.250 1.00 41.34 H new ATOM 0 HH21 ARG B 34 -12.109 0.231 13.211 1.00 15.34 H new ATOM 0 HH22 ARG B 34 -10.466 -0.111 13.765 1.00 15.34 H new ATOM 2109 N ALA B 35 -12.896 3.558 10.471 1.00 41.12 N ATOM 2110 CA ALA B 35 -12.606 4.056 11.826 1.00 34.12 C ATOM 2111 C ALA B 35 -11.117 4.413 11.952 1.00 21.22 C ATOM 2112 O ALA B 35 -10.749 5.577 12.123 1.00 12.32 O ATOM 2113 CB ALA B 35 -12.993 3.023 12.906 1.00 74.31 C ATOM 0 H ALA B 35 -12.078 3.558 9.861 1.00 41.12 H new ATOM 0 HA ALA B 35 -13.208 4.951 11.986 1.00 34.12 H new ATOM 0 HB1 ALA B 35 -12.765 3.425 13.893 1.00 74.31 H new ATOM 0 HB2 ALA B 35 -14.060 2.809 12.839 1.00 74.31 H new ATOM 0 HB3 ALA B 35 -12.428 2.104 12.749 1.00 74.31 H new ATOM 2119 N PHE B 36 -10.269 3.385 11.822 1.00 2.14 N ATOM 2120 CA PHE B 36 -8.821 3.471 12.097 1.00 74.04 C ATOM 2121 C PHE B 36 -8.022 3.204 10.808 1.00 2.34 C ATOM 2122 O PHE B 36 -8.506 2.510 9.905 1.00 70.44 O ATOM 2123 CB PHE B 36 -8.463 2.438 13.201 1.00 72.13 C ATOM 2124 CG PHE B 36 -6.998 2.423 13.648 1.00 10.55 C ATOM 2125 CD1 PHE B 36 -6.453 3.502 14.353 1.00 24.21 C ATOM 2126 CD2 PHE B 36 -6.163 1.334 13.372 1.00 5.42 C ATOM 2127 CE1 PHE B 36 -5.129 3.488 14.758 1.00 52.41 C ATOM 2128 CE2 PHE B 36 -4.841 1.325 13.777 1.00 75.32 C ATOM 2129 CZ PHE B 36 -4.324 2.401 14.473 1.00 3.21 C ATOM 0 H PHE B 36 -10.568 2.458 11.520 1.00 2.14 H new ATOM 0 HA PHE B 36 -8.563 4.471 12.446 1.00 74.04 H new ATOM 0 HB2 PHE B 36 -9.087 2.634 14.073 1.00 72.13 H new ATOM 0 HB3 PHE B 36 -8.724 1.443 12.840 1.00 72.13 H new ATOM 0 HD1 PHE B 36 -7.073 4.356 14.584 1.00 24.21 H new ATOM 0 HD2 PHE B 36 -6.558 0.486 12.833 1.00 5.42 H new ATOM 0 HE1 PHE B 36 -4.723 4.330 15.299 1.00 52.41 H new ATOM 0 HE2 PHE B 36 -4.212 0.477 13.549 1.00 75.32 H new ATOM 0 HZ PHE B 36 -3.293 2.393 14.794 1.00 3.21 H new ATOM 2139 N ASN B 37 -6.785 3.740 10.767 1.00 3.20 N ATOM 2140 CA ASN B 37 -5.858 3.635 9.614 1.00 71.15 C ATOM 2141 C ASN B 37 -5.336 2.191 9.425 1.00 62.15 C ATOM 2142 O ASN B 37 -5.594 1.305 10.247 1.00 61.23 O ATOM 2143 CB ASN B 37 -4.655 4.605 9.822 1.00 32.34 C ATOM 2144 CG ASN B 37 -5.067 6.069 9.999 1.00 50.30 C ATOM 2145 OD1 ASN B 37 -6.049 6.531 9.418 1.00 1.44 O ATOM 2146 ND2 ASN B 37 -4.322 6.812 10.808 1.00 32.40 N ATOM 0 H ASN B 37 -6.392 4.268 11.546 1.00 3.20 H new ATOM 0 HA ASN B 37 -6.410 3.909 8.715 1.00 71.15 H new ATOM 0 HB2 ASN B 37 -4.091 4.287 10.699 1.00 32.34 H new ATOM 0 HB3 ASN B 37 -3.985 4.527 8.966 1.00 32.34 H new ATOM 0 HD21 ASN B 37 -4.558 7.792 10.961 1.00 32.40 H new ATOM 0 HD22 ASN B 37 -3.514 6.403 11.276 1.00 32.40 H new ATOM 2153 N VAL B 38 -4.584 1.978 8.330 1.00 0.24 N ATOM 2154 CA VAL B 38 -3.916 0.693 8.051 1.00 2.43 C ATOM 2155 C VAL B 38 -2.552 0.651 8.776 1.00 65.44 C ATOM 2156 O VAL B 38 -1.835 1.657 8.817 1.00 3.23 O ATOM 2157 CB VAL B 38 -3.704 0.467 6.503 1.00 20.24 C ATOM 2158 CG1 VAL B 38 -3.099 -0.924 6.212 1.00 42.10 C ATOM 2159 CG2 VAL B 38 -5.021 0.648 5.726 1.00 51.42 C ATOM 0 H VAL B 38 -4.422 2.688 7.616 1.00 0.24 H new ATOM 0 HA VAL B 38 -4.559 -0.106 8.419 1.00 2.43 H new ATOM 0 HB VAL B 38 -2.997 1.224 6.163 1.00 20.24 H new ATOM 0 HG11 VAL B 38 -2.967 -1.046 5.137 1.00 42.10 H new ATOM 0 HG12 VAL B 38 -2.133 -1.012 6.709 1.00 42.10 H new ATOM 0 HG13 VAL B 38 -3.770 -1.698 6.585 1.00 42.10 H new ATOM 0 HG21 VAL B 38 -4.842 0.486 4.663 1.00 51.42 H new ATOM 0 HG22 VAL B 38 -5.757 -0.072 6.084 1.00 51.42 H new ATOM 0 HG23 VAL B 38 -5.398 1.659 5.880 1.00 51.42 H new ATOM 2169 N GLU B 39 -2.236 -0.508 9.366 1.00 31.15 N ATOM 2170 CA GLU B 39 -0.944 -0.775 10.029 1.00 23.12 C ATOM 2171 C GLU B 39 0.152 -1.077 8.976 1.00 13.44 C ATOM 2172 O GLU B 39 1.204 -0.421 8.941 1.00 1.11 O ATOM 2173 CB GLU B 39 -1.123 -1.984 10.992 1.00 62.42 C ATOM 2174 CG GLU B 39 0.154 -2.427 11.737 1.00 51.13 C ATOM 2175 CD GLU B 39 0.009 -3.808 12.394 1.00 4.24 C ATOM 2176 OE1 GLU B 39 -0.473 -3.891 13.547 1.00 64.25 O ATOM 2177 OE2 GLU B 39 0.352 -4.818 11.733 1.00 60.13 O ATOM 0 H GLU B 39 -2.876 -1.301 9.399 1.00 31.15 H new ATOM 0 HA GLU B 39 -0.630 0.103 10.594 1.00 23.12 H new ATOM 0 HB2 GLU B 39 -1.885 -1.731 11.729 1.00 62.42 H new ATOM 0 HB3 GLU B 39 -1.502 -2.831 10.420 1.00 62.42 H new ATOM 0 HG2 GLU B 39 0.989 -2.448 11.037 1.00 51.13 H new ATOM 0 HG3 GLU B 39 0.398 -1.689 12.502 1.00 51.13 H new ATOM 2184 N GLY B 40 -0.129 -2.070 8.105 1.00 22.45 N ATOM 2185 CA GLY B 40 0.840 -2.563 7.117 1.00 34.25 C ATOM 2186 C GLY B 40 0.175 -2.941 5.801 1.00 24.52 C ATOM 2187 O GLY B 40 -0.988 -3.321 5.786 1.00 30.30 O ATOM 0 H GLY B 40 -1.030 -2.547 8.071 1.00 22.45 H new ATOM 0 HA2 GLY B 40 1.593 -1.796 6.935 1.00 34.25 H new ATOM 0 HA3 GLY B 40 1.360 -3.431 7.522 1.00 34.25 H new ATOM 2191 N ILE B 41 0.914 -2.824 4.687 1.00 71.30 N ATOM 2192 CA ILE B 41 0.399 -3.092 3.319 1.00 72.25 C ATOM 2193 C ILE B 41 1.414 -3.966 2.561 1.00 43.20 C ATOM 2194 O ILE B 41 2.625 -3.779 2.713 1.00 23.11 O ATOM 2195 CB ILE B 41 0.163 -1.750 2.501 1.00 51.35 C ATOM 2196 CG1 ILE B 41 -0.769 -0.765 3.282 1.00 25.41 C ATOM 2197 CG2 ILE B 41 -0.410 -2.040 1.089 1.00 64.22 C ATOM 2198 CD1 ILE B 41 -1.000 0.581 2.607 1.00 32.25 C ATOM 0 H ILE B 41 1.893 -2.539 4.701 1.00 71.30 H new ATOM 0 HA ILE B 41 -0.559 -3.602 3.416 1.00 72.25 H new ATOM 0 HB ILE B 41 1.135 -1.272 2.378 1.00 51.35 H new ATOM 0 HG12 ILE B 41 -1.734 -1.247 3.435 1.00 25.41 H new ATOM 0 HG13 ILE B 41 -0.341 -0.590 4.269 1.00 25.41 H new ATOM 0 HG21 ILE B 41 -0.559 -1.100 0.557 1.00 64.22 H new ATOM 0 HG22 ILE B 41 0.290 -2.664 0.534 1.00 64.22 H new ATOM 0 HG23 ILE B 41 -1.364 -2.559 1.183 1.00 64.22 H new ATOM 0 HD11 ILE B 41 -1.658 1.190 3.226 1.00 32.25 H new ATOM 0 HD12 ILE B 41 -0.046 1.092 2.479 1.00 32.25 H new ATOM 0 HD13 ILE B 41 -1.461 0.425 1.632 1.00 32.25 H new ATOM 2210 N LEU B 42 0.916 -4.907 1.744 1.00 11.41 N ATOM 2211 CA LEU B 42 1.760 -5.718 0.854 1.00 33.33 C ATOM 2212 C LEU B 42 1.050 -5.932 -0.496 1.00 1.13 C ATOM 2213 O LEU B 42 0.220 -6.822 -0.629 1.00 44.53 O ATOM 2214 CB LEU B 42 2.117 -7.080 1.518 1.00 32.31 C ATOM 2215 CG LEU B 42 2.979 -8.062 0.651 1.00 12.33 C ATOM 2216 CD1 LEU B 42 4.346 -7.463 0.283 1.00 55.41 C ATOM 2217 CD2 LEU B 42 3.135 -9.416 1.354 1.00 1.03 C ATOM 0 H LEU B 42 -0.078 -5.126 1.682 1.00 11.41 H new ATOM 0 HA LEU B 42 2.692 -5.183 0.674 1.00 33.33 H new ATOM 0 HB2 LEU B 42 2.653 -6.880 2.446 1.00 32.31 H new ATOM 0 HB3 LEU B 42 1.189 -7.584 1.788 1.00 32.31 H new ATOM 0 HG LEU B 42 2.444 -8.223 -0.285 1.00 12.33 H new ATOM 0 HD11 LEU B 42 4.907 -8.179 -0.317 1.00 55.41 H new ATOM 0 HD12 LEU B 42 4.200 -6.546 -0.288 1.00 55.41 H new ATOM 0 HD13 LEU B 42 4.902 -7.238 1.193 1.00 55.41 H new ATOM 0 HD21 LEU B 42 3.736 -10.081 0.734 1.00 1.03 H new ATOM 0 HD22 LEU B 42 3.628 -9.272 2.316 1.00 1.03 H new ATOM 0 HD23 LEU B 42 2.152 -9.859 1.513 1.00 1.03 H new ATOM 2229 N CYS B 43 1.349 -5.071 -1.481 1.00 4.31 N ATOM 2230 CA CYS B 43 0.898 -5.252 -2.871 1.00 11.12 C ATOM 2231 C CYS B 43 1.959 -6.052 -3.637 1.00 62.04 C ATOM 2232 O CYS B 43 3.043 -5.532 -3.931 1.00 2.41 O ATOM 2233 CB CYS B 43 0.643 -3.893 -3.554 1.00 71.43 C ATOM 2234 SG CYS B 43 0.089 -4.010 -5.274 1.00 61.43 S ATOM 0 H CYS B 43 1.909 -4.231 -1.337 1.00 4.31 H new ATOM 0 HA CYS B 43 -0.045 -5.799 -2.873 1.00 11.12 H new ATOM 0 HB2 CYS B 43 -0.106 -3.347 -2.980 1.00 71.43 H new ATOM 0 HB3 CYS B 43 1.561 -3.306 -3.520 1.00 71.43 H new ATOM 0 HG CYS B 43 -0.097 -2.816 -5.752 1.00 61.43 H new ATOM 2240 N LEU B 44 1.653 -7.323 -3.907 1.00 33.13 N ATOM 2241 CA LEU B 44 2.540 -8.250 -4.623 1.00 11.21 C ATOM 2242 C LEU B 44 1.992 -8.439 -6.052 1.00 24.22 C ATOM 2243 O LEU B 44 0.946 -9.088 -6.221 1.00 10.43 O ATOM 2244 CB LEU B 44 2.576 -9.596 -3.870 1.00 44.04 C ATOM 2245 CG LEU B 44 3.625 -10.661 -4.310 1.00 3.00 C ATOM 2246 CD1 LEU B 44 5.043 -10.274 -3.855 1.00 15.20 C ATOM 2247 CD2 LEU B 44 3.243 -12.050 -3.773 1.00 54.13 C ATOM 0 H LEU B 44 0.767 -7.747 -3.631 1.00 33.13 H new ATOM 0 HA LEU B 44 3.555 -7.855 -4.676 1.00 11.21 H new ATOM 0 HB2 LEU B 44 2.742 -9.382 -2.814 1.00 44.04 H new ATOM 0 HB3 LEU B 44 1.588 -10.049 -3.952 1.00 44.04 H new ATOM 0 HG LEU B 44 3.625 -10.698 -5.399 1.00 3.00 H new ATOM 0 HD11 LEU B 44 5.750 -11.038 -4.178 1.00 15.20 H new ATOM 0 HD12 LEU B 44 5.318 -9.316 -4.296 1.00 15.20 H new ATOM 0 HD13 LEU B 44 5.067 -10.194 -2.768 1.00 15.20 H new ATOM 0 HD21 LEU B 44 3.987 -12.780 -4.091 1.00 54.13 H new ATOM 0 HD22 LEU B 44 3.205 -12.021 -2.684 1.00 54.13 H new ATOM 0 HD23 LEU B 44 2.266 -12.335 -4.163 1.00 54.13 H new ATOM 2259 N PRO B 45 2.652 -7.836 -7.092 1.00 51.14 N ATOM 2260 CA PRO B 45 2.206 -7.971 -8.499 1.00 2.44 C ATOM 2261 C PRO B 45 2.369 -9.419 -9.017 1.00 42.12 C ATOM 2262 O PRO B 45 3.464 -9.989 -8.975 1.00 72.42 O ATOM 2263 CB PRO B 45 3.110 -6.967 -9.265 1.00 52.31 C ATOM 2264 CG PRO B 45 4.339 -6.820 -8.411 1.00 25.13 C ATOM 2265 CD PRO B 45 3.864 -6.966 -6.978 1.00 12.52 C ATOM 0 HA PRO B 45 1.145 -7.758 -8.629 1.00 2.44 H new ATOM 0 HB2 PRO B 45 3.362 -7.340 -10.258 1.00 52.31 H new ATOM 0 HB3 PRO B 45 2.608 -6.009 -9.402 1.00 52.31 H new ATOM 0 HG2 PRO B 45 5.080 -7.581 -8.657 1.00 25.13 H new ATOM 0 HG3 PRO B 45 4.812 -5.851 -8.570 1.00 25.13 H new ATOM 0 HD2 PRO B 45 4.627 -7.423 -6.348 1.00 12.52 H new ATOM 0 HD3 PRO B 45 3.623 -5.999 -6.536 1.00 12.52 H new ATOM 2273 N ILE B 46 1.251 -10.004 -9.471 1.00 10.21 N ATOM 2274 CA ILE B 46 1.192 -11.387 -9.968 1.00 71.50 C ATOM 2275 C ILE B 46 1.732 -11.450 -11.412 1.00 65.01 C ATOM 2276 O ILE B 46 1.323 -10.659 -12.262 1.00 51.34 O ATOM 2277 CB ILE B 46 -0.281 -11.928 -9.901 1.00 11.43 C ATOM 2278 CG1 ILE B 46 -0.822 -11.883 -8.432 1.00 53.33 C ATOM 2279 CG2 ILE B 46 -0.409 -13.349 -10.501 1.00 10.24 C ATOM 2280 CD1 ILE B 46 -0.012 -12.681 -7.421 1.00 41.52 C ATOM 0 H ILE B 46 0.351 -9.524 -9.504 1.00 10.21 H new ATOM 0 HA ILE B 46 1.816 -12.019 -9.336 1.00 71.50 H new ATOM 0 HB ILE B 46 -0.897 -11.270 -10.514 1.00 11.43 H new ATOM 0 HG12 ILE B 46 -0.858 -10.843 -8.106 1.00 53.33 H new ATOM 0 HG13 ILE B 46 -1.847 -12.254 -8.427 1.00 53.33 H new ATOM 0 HG21 ILE B 46 -1.445 -13.681 -10.432 1.00 10.24 H new ATOM 0 HG22 ILE B 46 -0.102 -13.331 -11.547 1.00 10.24 H new ATOM 0 HG23 ILE B 46 0.230 -14.037 -9.947 1.00 10.24 H new ATOM 0 HD11 ILE B 46 -0.467 -12.587 -6.435 1.00 41.52 H new ATOM 0 HD12 ILE B 46 0.004 -13.731 -7.714 1.00 41.52 H new ATOM 0 HD13 ILE B 46 1.008 -12.298 -7.388 1.00 41.52 H new ATOM 2292 N GLN B 47 2.650 -12.397 -11.660 1.00 34.11 N ATOM 2293 CA GLN B 47 3.338 -12.561 -12.957 1.00 44.30 C ATOM 2294 C GLN B 47 2.384 -13.042 -14.073 1.00 31.53 C ATOM 2295 O GLN B 47 2.244 -12.393 -15.114 1.00 22.40 O ATOM 2296 CB GLN B 47 4.524 -13.559 -12.782 1.00 35.14 C ATOM 2297 CG GLN B 47 5.085 -14.159 -14.095 1.00 41.33 C ATOM 2298 CD GLN B 47 6.365 -14.974 -13.899 1.00 11.14 C ATOM 2299 OE1 GLN B 47 7.165 -14.691 -13.009 1.00 54.22 O ATOM 2300 NE2 GLN B 47 6.573 -15.987 -14.721 1.00 0.53 N ATOM 0 H GLN B 47 2.941 -13.080 -10.960 1.00 34.11 H new ATOM 0 HA GLN B 47 3.713 -11.586 -13.268 1.00 44.30 H new ATOM 0 HB2 GLN B 47 5.333 -13.048 -12.261 1.00 35.14 H new ATOM 0 HB3 GLN B 47 4.197 -14.376 -12.139 1.00 35.14 H new ATOM 0 HG2 GLN B 47 4.325 -14.796 -14.547 1.00 41.33 H new ATOM 0 HG3 GLN B 47 5.283 -13.350 -14.798 1.00 41.33 H new ATOM 0 HE21 GLN B 47 5.893 -16.200 -15.451 1.00 0.53 H new ATOM 0 HE22 GLN B 47 7.414 -16.557 -14.626 1.00 0.53 H new ATOM 2309 N ASP B 48 1.730 -14.184 -13.813 1.00 30.33 N ATOM 2310 CA ASP B 48 0.999 -14.976 -14.835 1.00 30.14 C ATOM 2311 C ASP B 48 -0.293 -14.310 -15.333 1.00 14.24 C ATOM 2312 O ASP B 48 -0.827 -14.703 -16.379 1.00 21.05 O ATOM 2313 CB ASP B 48 0.695 -16.379 -14.265 1.00 55.12 C ATOM 2314 CG ASP B 48 -0.119 -16.337 -12.956 1.00 45.24 C ATOM 2315 OD1 ASP B 48 -1.370 -16.275 -12.998 1.00 60.21 O ATOM 2316 OD2 ASP B 48 0.494 -16.342 -11.876 1.00 34.12 O ATOM 0 H ASP B 48 1.688 -14.595 -12.880 1.00 30.33 H new ATOM 0 HA ASP B 48 1.648 -15.045 -15.708 1.00 30.14 H new ATOM 0 HB2 ASP B 48 0.146 -16.956 -15.009 1.00 55.12 H new ATOM 0 HB3 ASP B 48 1.634 -16.903 -14.085 1.00 55.12 H new ATOM 2321 N SER B 49 -0.787 -13.311 -14.597 1.00 11.11 N ATOM 2322 CA SER B 49 -2.061 -12.647 -14.905 1.00 32.44 C ATOM 2323 C SER B 49 -2.031 -11.184 -14.443 1.00 64.40 C ATOM 2324 O SER B 49 -1.314 -10.850 -13.490 1.00 61.44 O ATOM 2325 CB SER B 49 -3.217 -13.431 -14.246 1.00 2.35 C ATOM 2326 OG SER B 49 -2.933 -13.706 -12.887 1.00 70.20 O ATOM 0 H SER B 49 -0.318 -12.938 -13.772 1.00 11.11 H new ATOM 0 HA SER B 49 -2.220 -12.640 -15.983 1.00 32.44 H new ATOM 0 HB2 SER B 49 -4.140 -12.855 -14.319 1.00 2.35 H new ATOM 0 HB3 SER B 49 -3.381 -14.365 -14.783 1.00 2.35 H new ATOM 0 HG SER B 49 -2.420 -14.538 -12.822 1.00 70.20 H new ATOM 2332 N ASP B 50 -2.804 -10.316 -15.142 1.00 60.43 N ATOM 2333 CA ASP B 50 -2.916 -8.885 -14.803 1.00 41.15 C ATOM 2334 C ASP B 50 -3.728 -8.714 -13.502 1.00 43.30 C ATOM 2335 O ASP B 50 -4.945 -8.556 -13.519 1.00 64.12 O ATOM 2336 CB ASP B 50 -3.509 -8.051 -15.994 1.00 53.10 C ATOM 2337 CG ASP B 50 -4.921 -8.476 -16.462 1.00 23.31 C ATOM 2338 OD1 ASP B 50 -5.050 -9.565 -17.064 1.00 64.42 O ATOM 2339 OD2 ASP B 50 -5.908 -7.721 -16.238 1.00 3.52 O ATOM 0 H ASP B 50 -3.362 -10.591 -15.950 1.00 60.43 H new ATOM 0 HA ASP B 50 -1.916 -8.488 -14.628 1.00 41.15 H new ATOM 0 HB2 ASP B 50 -3.542 -7.002 -15.700 1.00 53.10 H new ATOM 0 HB3 ASP B 50 -2.827 -8.123 -16.841 1.00 53.10 H new ATOM 2344 N LYS B 51 -3.025 -8.860 -12.365 1.00 1.51 N ATOM 2345 CA LYS B 51 -3.586 -8.688 -11.016 1.00 32.31 C ATOM 2346 C LYS B 51 -2.452 -8.563 -9.992 1.00 61.04 C ATOM 2347 O LYS B 51 -1.272 -8.713 -10.326 1.00 50.24 O ATOM 2348 CB LYS B 51 -4.557 -9.858 -10.654 1.00 72.04 C ATOM 2349 CG LYS B 51 -3.907 -11.262 -10.645 1.00 41.14 C ATOM 2350 CD LYS B 51 -4.929 -12.417 -10.479 1.00 41.33 C ATOM 2351 CE LYS B 51 -5.944 -12.498 -11.634 1.00 13.22 C ATOM 2352 NZ LYS B 51 -6.794 -13.718 -11.542 1.00 64.43 N ATOM 0 H LYS B 51 -2.035 -9.105 -12.359 1.00 1.51 H new ATOM 0 HA LYS B 51 -4.172 -7.769 -10.996 1.00 32.31 H new ATOM 0 HB2 LYS B 51 -4.985 -9.665 -9.670 1.00 72.04 H new ATOM 0 HB3 LYS B 51 -5.382 -9.860 -11.366 1.00 72.04 H new ATOM 0 HG2 LYS B 51 -3.357 -11.405 -11.575 1.00 41.14 H new ATOM 0 HG3 LYS B 51 -3.180 -11.312 -9.834 1.00 41.14 H new ATOM 0 HD2 LYS B 51 -4.391 -13.362 -10.409 1.00 41.33 H new ATOM 0 HD3 LYS B 51 -5.466 -12.286 -9.540 1.00 41.33 H new ATOM 0 HE2 LYS B 51 -6.578 -11.612 -11.623 1.00 13.22 H new ATOM 0 HE3 LYS B 51 -5.412 -12.497 -12.585 1.00 13.22 H new ATOM 0 HZ1 LYS B 51 -7.464 -13.735 -12.337 1.00 64.43 H new ATOM 0 HZ2 LYS B 51 -6.191 -14.565 -11.579 1.00 64.43 H new ATOM 0 HZ3 LYS B 51 -7.321 -13.707 -10.646 1.00 64.43 H new ATOM 2366 N SER B 52 -2.841 -8.286 -8.750 1.00 3.34 N ATOM 2367 CA SER B 52 -1.945 -8.114 -7.608 1.00 30.43 C ATOM 2368 C SER B 52 -2.757 -8.416 -6.346 1.00 30.35 C ATOM 2369 O SER B 52 -3.880 -7.940 -6.231 1.00 52.21 O ATOM 2370 CB SER B 52 -1.415 -6.654 -7.550 1.00 31.41 C ATOM 2371 OG SER B 52 -0.711 -6.288 -8.730 1.00 25.41 O ATOM 0 H SER B 52 -3.824 -8.171 -8.502 1.00 3.34 H new ATOM 0 HA SER B 52 -1.087 -8.781 -7.694 1.00 30.43 H new ATOM 0 HB2 SER B 52 -2.252 -5.972 -7.403 1.00 31.41 H new ATOM 0 HB3 SER B 52 -0.757 -6.543 -6.688 1.00 31.41 H new ATOM 0 HG SER B 52 -1.276 -5.708 -9.281 1.00 25.41 H new ATOM 2377 N HIS B 53 -2.230 -9.224 -5.418 1.00 25.30 N ATOM 2378 CA HIS B 53 -2.880 -9.420 -4.103 1.00 34.53 C ATOM 2379 C HIS B 53 -2.311 -8.376 -3.129 1.00 50.14 C ATOM 2380 O HIS B 53 -1.090 -8.227 -3.035 1.00 4.14 O ATOM 2381 CB HIS B 53 -2.643 -10.839 -3.531 1.00 51.00 C ATOM 2382 CG HIS B 53 -3.267 -11.992 -4.271 1.00 73.11 C ATOM 2383 ND1 HIS B 53 -3.992 -12.989 -3.638 1.00 64.53 N ATOM 2384 CD2 HIS B 53 -3.228 -12.344 -5.577 1.00 43.24 C ATOM 2385 CE1 HIS B 53 -4.363 -13.894 -4.523 1.00 1.41 C ATOM 2386 NE2 HIS B 53 -3.909 -13.527 -5.704 1.00 34.25 N ATOM 0 H HIS B 53 -1.365 -9.750 -5.544 1.00 25.30 H new ATOM 0 HA HIS B 53 -3.956 -9.303 -4.231 1.00 34.53 H new ATOM 0 HB2 HIS B 53 -1.567 -11.009 -3.485 1.00 51.00 H new ATOM 0 HB3 HIS B 53 -3.012 -10.856 -2.506 1.00 51.00 H new ATOM 0 HD1 HIS B 53 -4.206 -13.018 -2.641 1.00 64.53 H new ATOM 0 HD2 HIS B 53 -2.748 -11.794 -6.373 1.00 43.24 H new ATOM 0 HE1 HIS B 53 -4.940 -14.783 -4.315 1.00 1.41 H new ATOM 2395 N ILE B 54 -3.195 -7.641 -2.436 1.00 5.22 N ATOM 2396 CA ILE B 54 -2.797 -6.617 -1.458 1.00 54.13 C ATOM 2397 C ILE B 54 -3.234 -7.096 -0.066 1.00 54.42 C ATOM 2398 O ILE B 54 -4.424 -7.049 0.254 1.00 13.50 O ATOM 2399 CB ILE B 54 -3.402 -5.171 -1.750 1.00 74.04 C ATOM 2400 CG1 ILE B 54 -2.964 -4.593 -3.137 1.00 32.05 C ATOM 2401 CG2 ILE B 54 -2.981 -4.180 -0.640 1.00 43.43 C ATOM 2402 CD1 ILE B 54 -3.553 -5.265 -4.350 1.00 55.53 C ATOM 0 H ILE B 54 -4.205 -7.740 -2.538 1.00 5.22 H new ATOM 0 HA ILE B 54 -1.715 -6.500 -1.526 1.00 54.13 H new ATOM 0 HB ILE B 54 -4.485 -5.291 -1.767 1.00 74.04 H new ATOM 0 HG12 ILE B 54 -3.229 -3.536 -3.168 1.00 32.05 H new ATOM 0 HG13 ILE B 54 -1.878 -4.651 -3.206 1.00 32.05 H new ATOM 0 HG21 ILE B 54 -3.401 -3.197 -0.852 1.00 43.43 H new ATOM 0 HG22 ILE B 54 -3.351 -4.533 0.322 1.00 43.43 H new ATOM 0 HG23 ILE B 54 -1.894 -4.111 -0.607 1.00 43.43 H new ATOM 0 HD11 ILE B 54 -3.179 -4.781 -5.252 1.00 55.53 H new ATOM 0 HD12 ILE B 54 -3.268 -6.317 -4.358 1.00 55.53 H new ATOM 0 HD13 ILE B 54 -4.640 -5.184 -4.319 1.00 55.53 H new ATOM 2414 N TRP B 55 -2.269 -7.565 0.751 1.00 42.44 N ATOM 2415 CA TRP B 55 -2.540 -8.034 2.118 1.00 44.30 C ATOM 2416 C TRP B 55 -2.504 -6.812 3.058 1.00 11.53 C ATOM 2417 O TRP B 55 -1.434 -6.290 3.390 1.00 64.44 O ATOM 2418 CB TRP B 55 -1.503 -9.119 2.546 1.00 31.11 C ATOM 2419 CG TRP B 55 -1.567 -10.408 1.723 1.00 11.31 C ATOM 2420 CD1 TRP B 55 -2.266 -11.550 2.000 1.00 11.14 C ATOM 2421 CD2 TRP B 55 -0.890 -10.672 0.501 1.00 61.12 C ATOM 2422 NE1 TRP B 55 -2.077 -12.484 1.014 1.00 25.35 N ATOM 2423 CE2 TRP B 55 -1.228 -11.976 0.088 1.00 55.33 C ATOM 2424 CE3 TRP B 55 -0.040 -9.933 -0.277 1.00 33.40 C ATOM 2425 CZ2 TRP B 55 -0.727 -12.536 -1.078 1.00 25.42 C ATOM 2426 CZ3 TRP B 55 0.458 -10.481 -1.417 1.00 22.20 C ATOM 2427 CH2 TRP B 55 0.120 -11.777 -1.819 1.00 53.32 C ATOM 0 H TRP B 55 -1.287 -7.628 0.481 1.00 42.44 H new ATOM 0 HA TRP B 55 -3.523 -8.503 2.170 1.00 44.30 H new ATOM 0 HB2 TRP B 55 -0.500 -8.699 2.465 1.00 31.11 H new ATOM 0 HB3 TRP B 55 -1.662 -9.364 3.596 1.00 31.11 H new ATOM 0 HD1 TRP B 55 -2.882 -11.696 2.875 1.00 11.14 H new ATOM 0 HE1 TRP B 55 -2.505 -13.409 0.983 1.00 25.35 H new ATOM 0 HE3 TRP B 55 0.231 -8.928 0.011 1.00 33.40 H new ATOM 0 HZ2 TRP B 55 -1.000 -13.535 -1.384 1.00 25.42 H new ATOM 0 HZ3 TRP B 55 1.133 -9.900 -2.028 1.00 22.20 H new ATOM 0 HH2 TRP B 55 0.538 -12.179 -2.730 1.00 53.32 H new ATOM 2438 N LEU B 56 -3.707 -6.317 3.394 1.00 23.05 N ATOM 2439 CA LEU B 56 -3.908 -5.128 4.236 1.00 23.11 C ATOM 2440 C LEU B 56 -4.054 -5.533 5.714 1.00 35.35 C ATOM 2441 O LEU B 56 -5.021 -6.193 6.096 1.00 34.21 O ATOM 2442 CB LEU B 56 -5.164 -4.350 3.743 1.00 52.30 C ATOM 2443 CG LEU B 56 -4.997 -3.630 2.368 1.00 70.44 C ATOM 2444 CD1 LEU B 56 -6.339 -3.144 1.790 1.00 32.32 C ATOM 2445 CD2 LEU B 56 -4.000 -2.464 2.486 1.00 65.31 C ATOM 0 H LEU B 56 -4.581 -6.740 3.082 1.00 23.05 H new ATOM 0 HA LEU B 56 -3.038 -4.477 4.155 1.00 23.11 H new ATOM 0 HB2 LEU B 56 -5.999 -5.046 3.672 1.00 52.30 H new ATOM 0 HB3 LEU B 56 -5.431 -3.607 4.495 1.00 52.30 H new ATOM 0 HG LEU B 56 -4.600 -4.366 1.669 1.00 70.44 H new ATOM 0 HD11 LEU B 56 -6.166 -2.651 0.834 1.00 32.32 H new ATOM 0 HD12 LEU B 56 -7.002 -3.997 1.644 1.00 32.32 H new ATOM 0 HD13 LEU B 56 -6.800 -2.440 2.483 1.00 32.32 H new ATOM 0 HD21 LEU B 56 -3.897 -1.974 1.518 1.00 65.31 H new ATOM 0 HD22 LEU B 56 -4.366 -1.745 3.219 1.00 65.31 H new ATOM 0 HD23 LEU B 56 -3.030 -2.846 2.805 1.00 65.31 H new ATOM 2457 N LEU B 57 -3.076 -5.119 6.526 1.00 62.55 N ATOM 2458 CA LEU B 57 -3.045 -5.354 7.974 1.00 11.55 C ATOM 2459 C LEU B 57 -3.787 -4.205 8.655 1.00 14.54 C ATOM 2460 O LEU B 57 -3.302 -3.076 8.675 1.00 32.41 O ATOM 2461 CB LEU B 57 -1.579 -5.420 8.504 1.00 44.21 C ATOM 2462 CG LEU B 57 -0.763 -6.716 8.193 1.00 2.12 C ATOM 2463 CD1 LEU B 57 -0.623 -6.980 6.680 1.00 40.23 C ATOM 2464 CD2 LEU B 57 0.611 -6.666 8.883 1.00 42.20 C ATOM 0 H LEU B 57 -2.266 -4.600 6.188 1.00 62.55 H new ATOM 0 HA LEU B 57 -3.520 -6.310 8.195 1.00 11.55 H new ATOM 0 HB2 LEU B 57 -1.033 -4.571 8.093 1.00 44.21 H new ATOM 0 HB3 LEU B 57 -1.605 -5.289 9.586 1.00 44.21 H new ATOM 0 HG LEU B 57 -1.325 -7.557 8.599 1.00 2.12 H new ATOM 0 HD11 LEU B 57 -0.048 -7.892 6.522 1.00 40.23 H new ATOM 0 HD12 LEU B 57 -1.613 -7.094 6.237 1.00 40.23 H new ATOM 0 HD13 LEU B 57 -0.110 -6.141 6.210 1.00 40.23 H new ATOM 0 HD21 LEU B 57 1.166 -7.576 8.656 1.00 42.20 H new ATOM 0 HD22 LEU B 57 1.168 -5.802 8.522 1.00 42.20 H new ATOM 0 HD23 LEU B 57 0.474 -6.584 9.961 1.00 42.20 H new ATOM 2476 N VAL B 58 -4.979 -4.500 9.172 1.00 75.33 N ATOM 2477 CA VAL B 58 -5.834 -3.509 9.849 1.00 41.04 C ATOM 2478 C VAL B 58 -6.614 -4.226 10.953 1.00 42.42 C ATOM 2479 O VAL B 58 -6.885 -5.415 10.826 1.00 61.31 O ATOM 2480 CB VAL B 58 -6.826 -2.829 8.819 1.00 41.33 C ATOM 2481 CG1 VAL B 58 -7.958 -3.785 8.357 1.00 65.22 C ATOM 2482 CG2 VAL B 58 -7.389 -1.501 9.363 1.00 53.14 C ATOM 0 H VAL B 58 -5.386 -5.435 9.136 1.00 75.33 H new ATOM 0 HA VAL B 58 -5.218 -2.720 10.280 1.00 41.04 H new ATOM 0 HB VAL B 58 -6.237 -2.598 7.931 1.00 41.33 H new ATOM 0 HG11 VAL B 58 -8.608 -3.266 7.652 1.00 65.22 H new ATOM 0 HG12 VAL B 58 -7.521 -4.658 7.873 1.00 65.22 H new ATOM 0 HG13 VAL B 58 -8.541 -4.103 9.221 1.00 65.22 H new ATOM 0 HG21 VAL B 58 -8.065 -1.064 8.628 1.00 53.14 H new ATOM 0 HG22 VAL B 58 -7.932 -1.688 10.290 1.00 53.14 H new ATOM 0 HG23 VAL B 58 -6.568 -0.810 9.556 1.00 53.14 H new ATOM 2492 N ASN B 59 -6.957 -3.540 12.043 1.00 13.11 N ATOM 2493 CA ASN B 59 -7.808 -4.146 13.087 1.00 42.14 C ATOM 2494 C ASN B 59 -9.284 -4.116 12.638 1.00 23.30 C ATOM 2495 O ASN B 59 -9.793 -3.070 12.225 1.00 12.25 O ATOM 2496 CB ASN B 59 -7.578 -3.499 14.485 1.00 62.32 C ATOM 2497 CG ASN B 59 -7.584 -1.967 14.532 1.00 71.44 C ATOM 2498 OD1 ASN B 59 -8.276 -1.286 13.782 1.00 14.53 O ATOM 2499 ND2 ASN B 59 -6.787 -1.409 15.429 1.00 13.03 N ATOM 0 H ASN B 59 -6.669 -2.580 12.232 1.00 13.11 H new ATOM 0 HA ASN B 59 -7.521 -5.190 13.211 1.00 42.14 H new ATOM 0 HB2 ASN B 59 -8.349 -3.865 15.163 1.00 62.32 H new ATOM 0 HB3 ASN B 59 -6.621 -3.850 14.871 1.00 62.32 H new ATOM 0 HD21 ASN B 59 -6.739 -0.393 15.507 1.00 13.03 H new ATOM 0 HD22 ASN B 59 -6.220 -1.995 16.042 1.00 13.03 H new ATOM 2506 N ASP B 60 -9.925 -5.311 12.634 1.00 1.23 N ATOM 2507 CA ASP B 60 -11.334 -5.502 12.240 1.00 52.13 C ATOM 2508 C ASP B 60 -12.279 -4.536 12.975 1.00 53.22 C ATOM 2509 O ASP B 60 -12.070 -4.202 14.149 1.00 15.54 O ATOM 2510 CB ASP B 60 -11.781 -6.977 12.453 1.00 3.42 C ATOM 2511 CG ASP B 60 -13.257 -7.241 12.051 1.00 13.12 C ATOM 2512 OD1 ASP B 60 -13.565 -7.268 10.833 1.00 23.54 O ATOM 2513 OD2 ASP B 60 -14.113 -7.423 12.949 1.00 12.42 O ATOM 0 H ASP B 60 -9.466 -6.179 12.909 1.00 1.23 H new ATOM 0 HA ASP B 60 -11.398 -5.272 11.176 1.00 52.13 H new ATOM 0 HB2 ASP B 60 -11.132 -7.632 11.872 1.00 3.42 H new ATOM 0 HB3 ASP B 60 -11.645 -7.242 13.502 1.00 3.42 H new ATOM 2518 N ASP B 61 -13.327 -4.114 12.266 1.00 71.12 N ATOM 2519 CA ASP B 61 -14.255 -3.084 12.727 1.00 51.43 C ATOM 2520 C ASP B 61 -15.677 -3.485 12.321 1.00 4.25 C ATOM 2521 O ASP B 61 -15.861 -4.233 11.347 1.00 53.32 O ATOM 2522 CB ASP B 61 -13.848 -1.726 12.098 1.00 24.42 C ATOM 2523 CG ASP B 61 -14.561 -0.513 12.706 1.00 65.34 C ATOM 2524 OD1 ASP B 61 -14.107 -0.023 13.764 1.00 44.11 O ATOM 2525 OD2 ASP B 61 -15.557 -0.035 12.122 1.00 63.34 O ATOM 0 H ASP B 61 -13.557 -4.484 11.344 1.00 71.12 H new ATOM 0 HA ASP B 61 -14.221 -2.984 13.812 1.00 51.43 H new ATOM 0 HB2 ASP B 61 -12.772 -1.595 12.210 1.00 24.42 H new ATOM 0 HB3 ASP B 61 -14.056 -1.757 11.028 1.00 24.42 H new ATOM 2530 N GLN B 62 -16.673 -2.979 13.061 1.00 63.11 N ATOM 2531 CA GLN B 62 -18.099 -3.250 12.793 1.00 53.40 C ATOM 2532 C GLN B 62 -18.501 -2.726 11.399 1.00 22.23 C ATOM 2533 O GLN B 62 -19.265 -3.374 10.683 1.00 10.20 O ATOM 2534 CB GLN B 62 -18.968 -2.608 13.905 1.00 63.14 C ATOM 2535 CG GLN B 62 -18.655 -3.154 15.316 1.00 71.55 C ATOM 2536 CD GLN B 62 -19.414 -2.447 16.439 1.00 44.13 C ATOM 2537 OE1 GLN B 62 -20.513 -2.847 16.820 1.00 52.52 O ATOM 2538 NE2 GLN B 62 -18.832 -1.377 16.969 1.00 64.23 N ATOM 0 H GLN B 62 -16.516 -2.369 13.864 1.00 63.11 H new ATOM 0 HA GLN B 62 -18.266 -4.327 12.799 1.00 53.40 H new ATOM 0 HB2 GLN B 62 -18.815 -1.529 13.898 1.00 63.14 H new ATOM 0 HB3 GLN B 62 -20.020 -2.782 13.681 1.00 63.14 H new ATOM 0 HG2 GLN B 62 -18.893 -4.217 15.344 1.00 71.55 H new ATOM 0 HG3 GLN B 62 -17.585 -3.062 15.501 1.00 71.55 H new ATOM 0 HE21 GLN B 62 -17.920 -1.072 16.630 1.00 64.23 H new ATOM 0 HE22 GLN B 62 -19.297 -0.860 17.715 1.00 64.23 H new ATOM 2547 N ARG B 63 -17.928 -1.567 11.022 1.00 74.21 N ATOM 2548 CA ARG B 63 -18.162 -0.913 9.716 1.00 41.30 C ATOM 2549 C ARG B 63 -17.296 -1.538 8.614 1.00 14.50 C ATOM 2550 O ARG B 63 -17.687 -1.520 7.442 1.00 34.33 O ATOM 2551 CB ARG B 63 -17.867 0.611 9.800 1.00 23.13 C ATOM 2552 CG ARG B 63 -18.777 1.388 10.773 1.00 50.25 C ATOM 2553 CD ARG B 63 -20.259 1.359 10.366 1.00 44.44 C ATOM 2554 NE ARG B 63 -21.089 2.186 11.262 1.00 32.42 N ATOM 2555 CZ ARG B 63 -22.334 2.604 10.990 1.00 44.34 C ATOM 2556 NH1 ARG B 63 -22.938 2.285 9.846 1.00 34.31 N ATOM 2557 NH2 ARG B 63 -22.972 3.356 11.876 1.00 15.32 N ATOM 0 H ARG B 63 -17.283 -1.051 11.620 1.00 74.21 H new ATOM 0 HA ARG B 63 -19.212 -1.064 9.464 1.00 41.30 H new ATOM 0 HB2 ARG B 63 -16.829 0.751 10.103 1.00 23.13 H new ATOM 0 HB3 ARG B 63 -17.969 1.043 8.804 1.00 23.13 H new ATOM 0 HG2 ARG B 63 -18.673 0.967 11.773 1.00 50.25 H new ATOM 0 HG3 ARG B 63 -18.441 2.424 10.826 1.00 50.25 H new ATOM 0 HD2 ARG B 63 -20.362 1.717 9.342 1.00 44.44 H new ATOM 0 HD3 ARG B 63 -20.620 0.331 10.382 1.00 44.44 H new ATOM 0 HE ARG B 63 -20.685 2.461 12.157 1.00 32.42 H new ATOM 0 HH11 ARG B 63 -22.453 1.712 9.156 1.00 34.31 H new ATOM 0 HH12 ARG B 63 -23.885 2.614 9.660 1.00 34.31 H new ATOM 0 HH21 ARG B 63 -22.516 3.610 12.752 1.00 15.32 H new ATOM 0 HH22 ARG B 63 -23.919 3.681 11.682 1.00 15.32 H new ATOM 2571 N LEU B 64 -16.108 -2.070 9.008 1.00 34.53 N ATOM 2572 CA LEU B 64 -15.096 -2.619 8.067 1.00 65.14 C ATOM 2573 C LEU B 64 -15.708 -3.649 7.104 1.00 4.42 C ATOM 2574 O LEU B 64 -15.387 -3.642 5.930 1.00 33.11 O ATOM 2575 CB LEU B 64 -13.929 -3.280 8.835 1.00 44.21 C ATOM 2576 CG LEU B 64 -12.773 -3.895 7.970 1.00 22.10 C ATOM 2577 CD1 LEU B 64 -11.910 -2.820 7.292 1.00 63.15 C ATOM 2578 CD2 LEU B 64 -11.899 -4.843 8.795 1.00 53.20 C ATOM 0 H LEU B 64 -15.826 -2.130 9.986 1.00 34.53 H new ATOM 0 HA LEU B 64 -14.722 -1.777 7.485 1.00 65.14 H new ATOM 0 HB2 LEU B 64 -13.495 -2.535 9.502 1.00 44.21 H new ATOM 0 HB3 LEU B 64 -14.340 -4.070 9.464 1.00 44.21 H new ATOM 0 HG LEU B 64 -13.255 -4.470 7.180 1.00 22.10 H new ATOM 0 HD11 LEU B 64 -11.126 -3.299 6.706 1.00 63.15 H new ATOM 0 HD12 LEU B 64 -12.534 -2.213 6.635 1.00 63.15 H new ATOM 0 HD13 LEU B 64 -11.458 -2.184 8.053 1.00 63.15 H new ATOM 0 HD21 LEU B 64 -11.109 -5.251 8.165 1.00 53.20 H new ATOM 0 HD22 LEU B 64 -11.454 -4.297 9.627 1.00 53.20 H new ATOM 0 HD23 LEU B 64 -12.511 -5.658 9.182 1.00 53.20 H new ATOM 2590 N GLU B 65 -16.619 -4.497 7.620 1.00 51.35 N ATOM 2591 CA GLU B 65 -17.286 -5.559 6.835 1.00 13.30 C ATOM 2592 C GLU B 65 -18.178 -4.983 5.717 1.00 45.33 C ATOM 2593 O GLU B 65 -18.273 -5.563 4.633 1.00 62.43 O ATOM 2594 CB GLU B 65 -18.102 -6.462 7.781 1.00 54.41 C ATOM 2595 CG GLU B 65 -17.243 -7.155 8.846 1.00 31.30 C ATOM 2596 CD GLU B 65 -18.065 -8.030 9.795 1.00 73.03 C ATOM 2597 OE1 GLU B 65 -18.435 -9.161 9.410 1.00 63.35 O ATOM 2598 OE2 GLU B 65 -18.353 -7.595 10.932 1.00 60.53 O ATOM 0 H GLU B 65 -16.915 -4.466 8.596 1.00 51.35 H new ATOM 0 HA GLU B 65 -16.515 -6.152 6.343 1.00 13.30 H new ATOM 0 HB2 GLU B 65 -18.867 -5.863 8.274 1.00 54.41 H new ATOM 0 HB3 GLU B 65 -18.620 -7.219 7.193 1.00 54.41 H new ATOM 0 HG2 GLU B 65 -16.489 -7.770 8.354 1.00 31.30 H new ATOM 0 HG3 GLU B 65 -16.711 -6.400 9.425 1.00 31.30 H new ATOM 2605 N GLN B 66 -18.816 -3.836 5.998 1.00 64.43 N ATOM 2606 CA GLN B 66 -19.639 -3.106 5.004 1.00 12.52 C ATOM 2607 C GLN B 66 -18.730 -2.430 3.967 1.00 45.23 C ATOM 2608 O GLN B 66 -19.093 -2.337 2.797 1.00 44.42 O ATOM 2609 CB GLN B 66 -20.565 -2.042 5.666 1.00 51.40 C ATOM 2610 CG GLN B 66 -21.701 -2.612 6.545 1.00 60.11 C ATOM 2611 CD GLN B 66 -21.224 -3.186 7.876 1.00 72.21 C ATOM 2612 OE1 GLN B 66 -21.158 -2.481 8.874 1.00 4.14 O ATOM 2613 NE2 GLN B 66 -20.876 -4.464 7.899 1.00 52.25 N ATOM 0 H GLN B 66 -18.781 -3.386 6.913 1.00 64.43 H new ATOM 0 HA GLN B 66 -20.281 -3.839 4.516 1.00 12.52 H new ATOM 0 HB2 GLN B 66 -19.952 -1.380 6.278 1.00 51.40 H new ATOM 0 HB3 GLN B 66 -21.008 -1.430 4.880 1.00 51.40 H new ATOM 0 HG2 GLN B 66 -22.427 -1.823 6.740 1.00 60.11 H new ATOM 0 HG3 GLN B 66 -22.220 -3.393 5.989 1.00 60.11 H new ATOM 0 HE21 GLN B 66 -20.942 -5.026 7.050 1.00 52.25 H new ATOM 0 HE22 GLN B 66 -20.542 -4.886 8.765 1.00 52.25 H new ATOM 2622 N MET B 67 -17.549 -1.966 4.425 1.00 15.14 N ATOM 2623 CA MET B 67 -16.523 -1.359 3.549 1.00 41.21 C ATOM 2624 C MET B 67 -15.945 -2.425 2.594 1.00 20.14 C ATOM 2625 O MET B 67 -15.710 -2.160 1.415 1.00 21.43 O ATOM 2626 CB MET B 67 -15.379 -0.726 4.392 1.00 0.44 C ATOM 2627 CG MET B 67 -15.844 0.303 5.429 1.00 11.22 C ATOM 2628 SD MET B 67 -16.753 1.681 4.703 1.00 54.01 S ATOM 2629 CE MET B 67 -17.370 2.510 6.171 1.00 53.15 C ATOM 0 H MET B 67 -17.280 -2.001 5.408 1.00 15.14 H new ATOM 0 HA MET B 67 -16.996 -0.571 2.964 1.00 41.21 H new ATOM 0 HB2 MET B 67 -14.841 -1.522 4.906 1.00 0.44 H new ATOM 0 HB3 MET B 67 -14.670 -0.247 3.717 1.00 0.44 H new ATOM 0 HG2 MET B 67 -16.476 -0.193 6.166 1.00 11.22 H new ATOM 0 HG3 MET B 67 -14.976 0.690 5.963 1.00 11.22 H new ATOM 0 HE1 MET B 67 -18.452 2.392 6.228 1.00 53.15 H new ATOM 0 HE2 MET B 67 -16.910 2.072 7.057 1.00 53.15 H new ATOM 0 HE3 MET B 67 -17.123 3.570 6.121 1.00 53.15 H new ATOM 2639 N ILE B 68 -15.771 -3.636 3.151 1.00 62.53 N ATOM 2640 CA ILE B 68 -15.258 -4.828 2.457 1.00 24.20 C ATOM 2641 C ILE B 68 -16.262 -5.297 1.388 1.00 64.41 C ATOM 2642 O ILE B 68 -15.867 -5.618 0.261 1.00 31.35 O ATOM 2643 CB ILE B 68 -14.958 -5.969 3.517 1.00 21.24 C ATOM 2644 CG1 ILE B 68 -13.644 -5.651 4.299 1.00 44.41 C ATOM 2645 CG2 ILE B 68 -14.913 -7.387 2.901 1.00 52.43 C ATOM 2646 CD1 ILE B 68 -13.360 -6.582 5.461 1.00 32.13 C ATOM 0 H ILE B 68 -15.991 -3.817 4.130 1.00 62.53 H new ATOM 0 HA ILE B 68 -14.327 -4.583 1.946 1.00 24.20 H new ATOM 0 HB ILE B 68 -15.796 -5.977 4.213 1.00 21.24 H new ATOM 0 HG12 ILE B 68 -12.805 -5.691 3.605 1.00 44.41 H new ATOM 0 HG13 ILE B 68 -13.698 -4.629 4.674 1.00 44.41 H new ATOM 0 HG21 ILE B 68 -14.703 -8.117 3.683 1.00 52.43 H new ATOM 0 HG22 ILE B 68 -15.874 -7.614 2.441 1.00 52.43 H new ATOM 0 HG23 ILE B 68 -14.129 -7.430 2.145 1.00 52.43 H new ATOM 0 HD11 ILE B 68 -12.429 -6.286 5.945 1.00 32.13 H new ATOM 0 HD12 ILE B 68 -14.177 -6.526 6.180 1.00 32.13 H new ATOM 0 HD13 ILE B 68 -13.269 -7.604 5.094 1.00 32.13 H new ATOM 2658 N SER B 69 -17.558 -5.312 1.762 1.00 63.31 N ATOM 2659 CA SER B 69 -18.651 -5.687 0.855 1.00 43.33 C ATOM 2660 C SER B 69 -18.752 -4.670 -0.291 1.00 34.04 C ATOM 2661 O SER B 69 -18.831 -5.053 -1.456 1.00 74.21 O ATOM 2662 CB SER B 69 -19.996 -5.764 1.614 1.00 44.04 C ATOM 2663 OG SER B 69 -21.021 -6.314 0.800 1.00 33.25 O ATOM 0 H SER B 69 -17.871 -5.064 2.701 1.00 63.31 H new ATOM 0 HA SER B 69 -18.433 -6.673 0.444 1.00 43.33 H new ATOM 0 HB2 SER B 69 -19.875 -6.373 2.510 1.00 44.04 H new ATOM 0 HB3 SER B 69 -20.287 -4.767 1.943 1.00 44.04 H new ATOM 0 HG SER B 69 -21.858 -6.351 1.308 1.00 33.25 H new ATOM 2669 N GLN B 70 -18.685 -3.374 0.080 1.00 43.44 N ATOM 2670 CA GLN B 70 -18.856 -2.241 -0.842 1.00 40.32 C ATOM 2671 C GLN B 70 -17.771 -2.265 -1.928 1.00 70.32 C ATOM 2672 O GLN B 70 -18.088 -2.214 -3.121 1.00 54.02 O ATOM 2673 CB GLN B 70 -18.844 -0.904 -0.030 1.00 5.13 C ATOM 2674 CG GLN B 70 -19.313 0.373 -0.784 1.00 53.42 C ATOM 2675 CD GLN B 70 -18.245 1.025 -1.674 1.00 54.23 C ATOM 2676 OE1 GLN B 70 -17.488 1.887 -1.233 1.00 43.42 O ATOM 2677 NE2 GLN B 70 -18.194 0.639 -2.938 1.00 71.31 N ATOM 0 H GLN B 70 -18.508 -3.086 1.042 1.00 43.44 H new ATOM 0 HA GLN B 70 -19.817 -2.320 -1.350 1.00 40.32 H new ATOM 0 HB2 GLN B 70 -19.477 -1.033 0.848 1.00 5.13 H new ATOM 0 HB3 GLN B 70 -17.830 -0.733 0.331 1.00 5.13 H new ATOM 0 HG2 GLN B 70 -20.174 0.117 -1.402 1.00 53.42 H new ATOM 0 HG3 GLN B 70 -19.652 1.106 -0.052 1.00 53.42 H new ATOM 0 HE21 GLN B 70 -18.834 -0.079 -3.278 1.00 71.31 H new ATOM 0 HE22 GLN B 70 -17.515 1.059 -3.572 1.00 71.31 H new ATOM 2686 N ILE B 71 -16.499 -2.368 -1.505 1.00 50.23 N ATOM 2687 CA ILE B 71 -15.352 -2.336 -2.434 1.00 72.14 C ATOM 2688 C ILE B 71 -15.303 -3.611 -3.308 1.00 74.15 C ATOM 2689 O ILE B 71 -14.830 -3.570 -4.448 1.00 43.32 O ATOM 2690 CB ILE B 71 -13.988 -2.125 -1.686 1.00 53.20 C ATOM 2691 CG1 ILE B 71 -12.845 -1.795 -2.705 1.00 35.22 C ATOM 2692 CG2 ILE B 71 -13.629 -3.336 -0.797 1.00 61.12 C ATOM 2693 CD1 ILE B 71 -11.469 -1.648 -2.097 1.00 70.04 C ATOM 0 H ILE B 71 -16.237 -2.474 -0.525 1.00 50.23 H new ATOM 0 HA ILE B 71 -15.501 -1.476 -3.087 1.00 72.14 H new ATOM 0 HB ILE B 71 -14.101 -1.270 -1.020 1.00 53.20 H new ATOM 0 HG12 ILE B 71 -12.811 -2.583 -3.457 1.00 35.22 H new ATOM 0 HG13 ILE B 71 -13.097 -0.870 -3.224 1.00 35.22 H new ATOM 0 HG21 ILE B 71 -12.679 -3.151 -0.297 1.00 61.12 H new ATOM 0 HG22 ILE B 71 -14.409 -3.483 -0.051 1.00 61.12 H new ATOM 0 HG23 ILE B 71 -13.545 -4.229 -1.416 1.00 61.12 H new ATOM 0 HD11 ILE B 71 -10.747 -1.420 -2.881 1.00 70.04 H new ATOM 0 HD12 ILE B 71 -11.478 -0.839 -1.367 1.00 70.04 H new ATOM 0 HD13 ILE B 71 -11.188 -2.579 -1.604 1.00 70.04 H new ATOM 2705 N ASP B 72 -15.812 -4.730 -2.760 1.00 1.42 N ATOM 2706 CA ASP B 72 -15.897 -6.009 -3.479 1.00 60.15 C ATOM 2707 C ASP B 72 -16.816 -5.903 -4.718 1.00 53.13 C ATOM 2708 O ASP B 72 -16.616 -6.608 -5.713 1.00 21.42 O ATOM 2709 CB ASP B 72 -16.370 -7.131 -2.520 1.00 64.55 C ATOM 2710 CG ASP B 72 -16.684 -8.463 -3.228 1.00 54.20 C ATOM 2711 OD1 ASP B 72 -15.770 -9.052 -3.840 1.00 41.22 O ATOM 2712 OD2 ASP B 72 -17.855 -8.912 -3.200 1.00 72.42 O ATOM 0 H ASP B 72 -16.175 -4.770 -1.808 1.00 1.42 H new ATOM 0 HA ASP B 72 -14.901 -6.263 -3.842 1.00 60.15 H new ATOM 0 HB2 ASP B 72 -15.599 -7.303 -1.769 1.00 64.55 H new ATOM 0 HB3 ASP B 72 -17.261 -6.792 -1.991 1.00 64.55 H new ATOM 2717 N LYS B 73 -17.808 -4.998 -4.641 1.00 1.21 N ATOM 2718 CA LYS B 73 -18.766 -4.745 -5.737 1.00 53.13 C ATOM 2719 C LYS B 73 -18.089 -4.024 -6.933 1.00 23.31 C ATOM 2720 O LYS B 73 -18.664 -3.955 -8.023 1.00 10.41 O ATOM 2721 CB LYS B 73 -19.961 -3.908 -5.219 1.00 51.43 C ATOM 2722 CG LYS B 73 -20.608 -4.446 -3.921 1.00 74.23 C ATOM 2723 CD LYS B 73 -21.813 -3.603 -3.453 1.00 21.04 C ATOM 2724 CE LYS B 73 -22.989 -3.672 -4.434 1.00 10.12 C ATOM 2725 NZ LYS B 73 -24.124 -2.822 -4.002 1.00 63.40 N ATOM 0 H LYS B 73 -17.970 -4.420 -3.817 1.00 1.21 H new ATOM 0 HA LYS B 73 -19.128 -5.710 -6.091 1.00 53.13 H new ATOM 0 HB2 LYS B 73 -19.624 -2.886 -5.045 1.00 51.43 H new ATOM 0 HB3 LYS B 73 -20.722 -3.864 -5.998 1.00 51.43 H new ATOM 0 HG2 LYS B 73 -20.932 -5.474 -4.082 1.00 74.23 H new ATOM 0 HG3 LYS B 73 -19.858 -4.468 -3.130 1.00 74.23 H new ATOM 0 HD2 LYS B 73 -22.139 -3.952 -2.473 1.00 21.04 H new ATOM 0 HD3 LYS B 73 -21.503 -2.565 -3.334 1.00 21.04 H new ATOM 0 HE2 LYS B 73 -22.655 -3.356 -5.422 1.00 10.12 H new ATOM 0 HE3 LYS B 73 -23.324 -4.705 -4.526 1.00 10.12 H new ATOM 0 HZ1 LYS B 73 -24.897 -2.898 -4.693 1.00 63.40 H new ATOM 0 HZ2 LYS B 73 -24.460 -3.139 -3.070 1.00 63.40 H new ATOM 0 HZ3 LYS B 73 -23.812 -1.832 -3.939 1.00 63.40 H new ATOM 2739 N LEU B 74 -16.879 -3.477 -6.708 1.00 23.14 N ATOM 2740 CA LEU B 74 -16.068 -2.827 -7.760 1.00 30.12 C ATOM 2741 C LEU B 74 -15.311 -3.888 -8.567 1.00 2.53 C ATOM 2742 O LEU B 74 -14.927 -4.937 -8.034 1.00 45.43 O ATOM 2743 CB LEU B 74 -15.052 -1.801 -7.156 1.00 51.32 C ATOM 2744 CG LEU B 74 -15.619 -0.422 -6.681 1.00 40.22 C ATOM 2745 CD1 LEU B 74 -16.236 0.368 -7.853 1.00 74.42 C ATOM 2746 CD2 LEU B 74 -16.615 -0.587 -5.521 1.00 5.13 C ATOM 0 H LEU B 74 -16.434 -3.473 -5.790 1.00 23.14 H new ATOM 0 HA LEU B 74 -16.749 -2.282 -8.414 1.00 30.12 H new ATOM 0 HB2 LEU B 74 -14.560 -2.274 -6.306 1.00 51.32 H new ATOM 0 HB3 LEU B 74 -14.282 -1.609 -7.903 1.00 51.32 H new ATOM 0 HG LEU B 74 -14.780 0.161 -6.302 1.00 40.22 H new ATOM 0 HD11 LEU B 74 -16.620 1.320 -7.488 1.00 74.42 H new ATOM 0 HD12 LEU B 74 -15.473 0.551 -8.610 1.00 74.42 H new ATOM 0 HD13 LEU B 74 -17.051 -0.208 -8.291 1.00 74.42 H new ATOM 0 HD21 LEU B 74 -16.987 0.392 -5.219 1.00 5.13 H new ATOM 0 HD22 LEU B 74 -17.450 -1.209 -5.844 1.00 5.13 H new ATOM 0 HD23 LEU B 74 -16.115 -1.062 -4.677 1.00 5.13 H new ATOM 2758 N GLU B 75 -15.056 -3.570 -9.847 1.00 32.04 N ATOM 2759 CA GLU B 75 -14.323 -4.451 -10.787 1.00 72.50 C ATOM 2760 C GLU B 75 -12.830 -4.558 -10.416 1.00 23.52 C ATOM 2761 O GLU B 75 -12.089 -5.348 -11.018 1.00 21.33 O ATOM 2762 CB GLU B 75 -14.473 -3.914 -12.231 1.00 35.11 C ATOM 2763 CG GLU B 75 -15.932 -3.791 -12.714 1.00 54.03 C ATOM 2764 CD GLU B 75 -16.056 -3.141 -14.098 1.00 23.44 C ATOM 2765 OE1 GLU B 75 -15.872 -3.834 -15.111 1.00 74.33 O ATOM 2766 OE2 GLU B 75 -16.333 -1.926 -14.176 1.00 64.24 O ATOM 0 H GLU B 75 -15.353 -2.689 -10.267 1.00 32.04 H new ATOM 0 HA GLU B 75 -14.755 -5.450 -10.720 1.00 72.50 H new ATOM 0 HB2 GLU B 75 -13.998 -2.935 -12.293 1.00 35.11 H new ATOM 0 HB3 GLU B 75 -13.932 -4.574 -12.910 1.00 35.11 H new ATOM 0 HG2 GLU B 75 -16.383 -4.783 -12.743 1.00 54.03 H new ATOM 0 HG3 GLU B 75 -16.499 -3.204 -11.992 1.00 54.03 H new ATOM 2773 N ASP B 76 -12.395 -3.718 -9.457 1.00 33.32 N ATOM 2774 CA ASP B 76 -11.047 -3.762 -8.888 1.00 33.44 C ATOM 2775 C ASP B 76 -10.818 -5.092 -8.168 1.00 74.42 C ATOM 2776 O ASP B 76 -9.917 -5.856 -8.523 1.00 62.13 O ATOM 2777 CB ASP B 76 -10.848 -2.589 -7.896 1.00 54.41 C ATOM 2778 CG ASP B 76 -11.086 -1.210 -8.526 1.00 5.24 C ATOM 2779 OD1 ASP B 76 -10.217 -0.725 -9.276 1.00 74.40 O ATOM 2780 OD2 ASP B 76 -12.142 -0.598 -8.269 1.00 70.22 O ATOM 0 H ASP B 76 -12.980 -2.985 -9.056 1.00 33.32 H new ATOM 0 HA ASP B 76 -10.325 -3.670 -9.699 1.00 33.44 H new ATOM 0 HB2 ASP B 76 -11.527 -2.717 -7.053 1.00 54.41 H new ATOM 0 HB3 ASP B 76 -9.834 -2.628 -7.498 1.00 54.41 H new ATOM 2785 N VAL B 77 -11.712 -5.382 -7.214 1.00 64.30 N ATOM 2786 CA VAL B 77 -11.613 -6.547 -6.341 1.00 31.11 C ATOM 2787 C VAL B 77 -12.028 -7.826 -7.098 1.00 21.21 C ATOM 2788 O VAL B 77 -13.205 -8.051 -7.379 1.00 22.11 O ATOM 2789 CB VAL B 77 -12.463 -6.321 -5.038 1.00 11.31 C ATOM 2790 CG1 VAL B 77 -12.571 -7.598 -4.174 1.00 50.30 C ATOM 2791 CG2 VAL B 77 -11.865 -5.160 -4.207 1.00 30.30 C ATOM 0 H VAL B 77 -12.532 -4.804 -7.029 1.00 64.30 H new ATOM 0 HA VAL B 77 -10.576 -6.681 -6.034 1.00 31.11 H new ATOM 0 HB VAL B 77 -13.474 -6.062 -5.353 1.00 11.31 H new ATOM 0 HG11 VAL B 77 -13.168 -7.387 -3.287 1.00 50.30 H new ATOM 0 HG12 VAL B 77 -13.047 -8.389 -4.752 1.00 50.30 H new ATOM 0 HG13 VAL B 77 -11.574 -7.919 -3.873 1.00 50.30 H new ATOM 0 HG21 VAL B 77 -12.461 -5.012 -3.307 1.00 30.30 H new ATOM 0 HG22 VAL B 77 -10.840 -5.403 -3.927 1.00 30.30 H new ATOM 0 HG23 VAL B 77 -11.872 -4.246 -4.801 1.00 30.30 H new ATOM 2801 N VAL B 78 -11.004 -8.586 -7.501 1.00 1.14 N ATOM 2802 CA VAL B 78 -11.129 -9.928 -8.097 1.00 15.30 C ATOM 2803 C VAL B 78 -11.319 -10.989 -6.984 1.00 72.05 C ATOM 2804 O VAL B 78 -12.051 -11.969 -7.162 1.00 42.42 O ATOM 2805 CB VAL B 78 -9.866 -10.285 -8.979 1.00 12.31 C ATOM 2806 CG1 VAL B 78 -10.083 -11.573 -9.800 1.00 41.03 C ATOM 2807 CG2 VAL B 78 -9.462 -9.103 -9.894 1.00 4.01 C ATOM 0 H VAL B 78 -10.035 -8.278 -7.421 1.00 1.14 H new ATOM 0 HA VAL B 78 -12.004 -9.928 -8.747 1.00 15.30 H new ATOM 0 HB VAL B 78 -9.041 -10.473 -8.292 1.00 12.31 H new ATOM 0 HG11 VAL B 78 -9.192 -11.782 -10.392 1.00 41.03 H new ATOM 0 HG12 VAL B 78 -10.274 -12.407 -9.125 1.00 41.03 H new ATOM 0 HG13 VAL B 78 -10.937 -11.441 -10.465 1.00 41.03 H new ATOM 0 HG21 VAL B 78 -8.591 -9.383 -10.486 1.00 4.01 H new ATOM 0 HG22 VAL B 78 -10.290 -8.859 -10.560 1.00 4.01 H new ATOM 0 HG23 VAL B 78 -9.221 -8.234 -9.281 1.00 4.01 H new ATOM 2817 N LYS B 79 -10.635 -10.782 -5.834 1.00 12.14 N ATOM 2818 CA LYS B 79 -10.781 -11.626 -4.623 1.00 72.14 C ATOM 2819 C LYS B 79 -10.857 -10.732 -3.382 1.00 32.44 C ATOM 2820 O LYS B 79 -10.246 -9.657 -3.342 1.00 22.25 O ATOM 2821 CB LYS B 79 -9.591 -12.613 -4.421 1.00 2.34 C ATOM 2822 CG LYS B 79 -9.530 -13.826 -5.367 1.00 51.21 C ATOM 2823 CD LYS B 79 -8.230 -14.663 -5.151 1.00 63.20 C ATOM 2824 CE LYS B 79 -8.368 -16.126 -5.599 1.00 60.01 C ATOM 2825 NZ LYS B 79 -9.328 -16.871 -4.739 1.00 31.32 N ATOM 0 H LYS B 79 -9.964 -10.022 -5.719 1.00 12.14 H new ATOM 0 HA LYS B 79 -11.692 -12.209 -4.762 1.00 72.14 H new ATOM 0 HB2 LYS B 79 -8.662 -12.052 -4.527 1.00 2.34 H new ATOM 0 HB3 LYS B 79 -9.626 -12.982 -3.396 1.00 2.34 H new ATOM 0 HG2 LYS B 79 -10.402 -14.459 -5.203 1.00 51.21 H new ATOM 0 HG3 LYS B 79 -9.575 -13.484 -6.401 1.00 51.21 H new ATOM 0 HD2 LYS B 79 -7.411 -14.198 -5.700 1.00 63.20 H new ATOM 0 HD3 LYS B 79 -7.961 -14.637 -4.095 1.00 63.20 H new ATOM 0 HE2 LYS B 79 -8.704 -16.160 -6.635 1.00 60.01 H new ATOM 0 HE3 LYS B 79 -7.393 -16.612 -5.564 1.00 60.01 H new ATOM 0 HZ1 LYS B 79 -9.179 -17.893 -4.857 1.00 31.32 H new ATOM 0 HZ2 LYS B 79 -9.176 -16.612 -3.743 1.00 31.32 H new ATOM 0 HZ3 LYS B 79 -10.301 -16.629 -5.015 1.00 31.32 H new ATOM 2839 N VAL B 80 -11.569 -11.228 -2.366 1.00 73.00 N ATOM 2840 CA VAL B 80 -11.633 -10.628 -1.035 1.00 23.22 C ATOM 2841 C VAL B 80 -11.639 -11.769 0.009 1.00 42.12 C ATOM 2842 O VAL B 80 -12.630 -12.499 0.166 1.00 61.35 O ATOM 2843 CB VAL B 80 -12.884 -9.672 -0.873 1.00 70.41 C ATOM 2844 CG1 VAL B 80 -14.217 -10.363 -1.247 1.00 71.14 C ATOM 2845 CG2 VAL B 80 -12.943 -9.076 0.548 1.00 63.13 C ATOM 0 H VAL B 80 -12.128 -12.077 -2.450 1.00 73.00 H new ATOM 0 HA VAL B 80 -10.760 -9.995 -0.880 1.00 23.22 H new ATOM 0 HB VAL B 80 -12.750 -8.856 -1.583 1.00 70.41 H new ATOM 0 HG11 VAL B 80 -15.040 -9.660 -1.117 1.00 71.14 H new ATOM 0 HG12 VAL B 80 -14.179 -10.689 -2.287 1.00 71.14 H new ATOM 0 HG13 VAL B 80 -14.372 -11.227 -0.601 1.00 71.14 H new ATOM 0 HG21 VAL B 80 -13.812 -8.423 0.633 1.00 63.13 H new ATOM 0 HG22 VAL B 80 -13.022 -9.882 1.278 1.00 63.13 H new ATOM 0 HG23 VAL B 80 -12.037 -8.501 0.739 1.00 63.13 H new ATOM 2855 N GLN B 81 -10.497 -11.971 0.682 1.00 51.31 N ATOM 2856 CA GLN B 81 -10.317 -13.074 1.647 1.00 25.02 C ATOM 2857 C GLN B 81 -9.855 -12.512 2.996 1.00 44.40 C ATOM 2858 O GLN B 81 -8.773 -11.904 3.085 1.00 53.14 O ATOM 2859 CB GLN B 81 -9.291 -14.103 1.094 1.00 63.25 C ATOM 2860 CG GLN B 81 -9.648 -14.688 -0.297 1.00 65.23 C ATOM 2861 CD GLN B 81 -8.626 -15.690 -0.855 1.00 45.43 C ATOM 2862 OE1 GLN B 81 -8.449 -15.796 -2.071 1.00 54.45 O ATOM 2863 NE2 GLN B 81 -7.972 -16.455 0.009 1.00 44.44 N ATOM 0 H GLN B 81 -9.673 -11.379 0.576 1.00 51.31 H new ATOM 0 HA GLN B 81 -11.268 -13.586 1.793 1.00 25.02 H new ATOM 0 HB2 GLN B 81 -8.314 -13.624 1.032 1.00 63.25 H new ATOM 0 HB3 GLN B 81 -9.200 -14.923 1.806 1.00 63.25 H new ATOM 0 HG2 GLN B 81 -10.619 -15.179 -0.231 1.00 65.23 H new ATOM 0 HG3 GLN B 81 -9.754 -13.866 -1.005 1.00 65.23 H new ATOM 0 HE21 GLN B 81 -8.136 -16.348 1.010 1.00 44.44 H new ATOM 0 HE22 GLN B 81 -7.305 -17.150 -0.328 1.00 44.44 H new ATOM 2872 N ARG B 82 -10.685 -12.699 4.044 1.00 74.11 N ATOM 2873 CA ARG B 82 -10.392 -12.207 5.397 1.00 3.11 C ATOM 2874 C ARG B 82 -9.598 -13.273 6.177 1.00 34.01 C ATOM 2875 O ARG B 82 -10.174 -14.228 6.718 1.00 51.21 O ATOM 2876 CB ARG B 82 -11.698 -11.816 6.165 1.00 11.34 C ATOM 2877 CG ARG B 82 -12.625 -10.834 5.405 1.00 20.22 C ATOM 2878 CD ARG B 82 -13.555 -10.034 6.342 1.00 54.24 C ATOM 2879 NE ARG B 82 -14.424 -10.878 7.188 1.00 32.50 N ATOM 2880 CZ ARG B 82 -14.906 -10.524 8.403 1.00 13.41 C ATOM 2881 NH1 ARG B 82 -14.603 -9.343 8.945 1.00 34.24 N ATOM 2882 NH2 ARG B 82 -15.703 -11.356 9.064 1.00 14.30 N ATOM 0 H ARG B 82 -11.574 -13.195 3.971 1.00 74.11 H new ATOM 0 HA ARG B 82 -9.788 -11.304 5.309 1.00 3.11 H new ATOM 0 HB2 ARG B 82 -12.258 -12.724 6.388 1.00 11.34 H new ATOM 0 HB3 ARG B 82 -11.422 -11.369 7.120 1.00 11.34 H new ATOM 0 HG2 ARG B 82 -12.014 -10.139 4.829 1.00 20.22 H new ATOM 0 HG3 ARG B 82 -13.231 -11.393 4.692 1.00 20.22 H new ATOM 0 HD2 ARG B 82 -12.947 -9.398 6.985 1.00 54.24 H new ATOM 0 HD3 ARG B 82 -14.180 -9.374 5.740 1.00 54.24 H new ATOM 0 HE ARG B 82 -14.681 -11.798 6.829 1.00 32.50 H new ATOM 0 HH11 ARG B 82 -14.000 -8.691 8.443 1.00 34.24 H new ATOM 0 HH12 ARG B 82 -14.975 -9.092 9.861 1.00 34.24 H new ATOM 0 HH21 ARG B 82 -15.950 -12.258 8.656 1.00 14.30 H new ATOM 0 HH22 ARG B 82 -16.068 -11.093 9.979 1.00 14.30 H new ATOM 2896 N ASN B 83 -8.271 -13.118 6.178 1.00 52.20 N ATOM 2897 CA ASN B 83 -7.328 -14.007 6.885 1.00 13.53 C ATOM 2898 C ASN B 83 -7.005 -13.398 8.264 1.00 75.31 C ATOM 2899 O ASN B 83 -7.105 -12.178 8.441 1.00 75.14 O ATOM 2900 CB ASN B 83 -6.022 -14.184 6.059 1.00 41.11 C ATOM 2901 CG ASN B 83 -6.251 -14.678 4.626 1.00 75.22 C ATOM 2902 OD1 ASN B 83 -7.169 -15.450 4.349 1.00 72.23 O ATOM 2903 ND2 ASN B 83 -5.424 -14.219 3.701 1.00 74.30 N ATOM 0 H ASN B 83 -7.807 -12.358 5.680 1.00 52.20 H new ATOM 0 HA ASN B 83 -7.784 -14.989 7.013 1.00 13.53 H new ATOM 0 HB2 ASN B 83 -5.495 -13.231 6.024 1.00 41.11 H new ATOM 0 HB3 ASN B 83 -5.371 -14.889 6.575 1.00 41.11 H new ATOM 0 HD21 ASN B 83 -5.538 -14.504 2.728 1.00 74.30 H new ATOM 0 HD22 ASN B 83 -4.672 -13.580 3.961 1.00 74.30 H new ATOM 2910 N GLN B 84 -6.644 -14.244 9.242 1.00 54.24 N ATOM 2911 CA GLN B 84 -6.195 -13.782 10.577 1.00 22.35 C ATOM 2912 C GLN B 84 -4.683 -13.520 10.536 1.00 50.02 C ATOM 2913 O GLN B 84 -3.943 -14.257 9.867 1.00 55.01 O ATOM 2914 CB GLN B 84 -6.546 -14.828 11.666 1.00 65.23 C ATOM 2915 CG GLN B 84 -8.061 -15.072 11.833 1.00 31.52 C ATOM 2916 CD GLN B 84 -8.410 -16.035 12.974 1.00 34.44 C ATOM 2917 OE1 GLN B 84 -7.704 -16.112 13.982 1.00 61.30 O ATOM 2918 NE2 GLN B 84 -9.501 -16.773 12.826 1.00 54.50 N ATOM 0 H GLN B 84 -6.653 -15.259 9.138 1.00 54.24 H new ATOM 0 HA GLN B 84 -6.712 -12.857 10.832 1.00 22.35 H new ATOM 0 HB2 GLN B 84 -6.061 -15.772 11.419 1.00 65.23 H new ATOM 0 HB3 GLN B 84 -6.134 -14.498 12.619 1.00 65.23 H new ATOM 0 HG2 GLN B 84 -8.556 -14.117 12.011 1.00 31.52 H new ATOM 0 HG3 GLN B 84 -8.461 -15.469 10.900 1.00 31.52 H new ATOM 0 HE21 GLN B 84 -10.064 -16.686 11.980 1.00 54.50 H new ATOM 0 HE22 GLN B 84 -9.777 -17.428 13.558 1.00 54.50 H new ATOM 2927 N SER B 85 -4.229 -12.465 11.241 1.00 61.21 N ATOM 2928 CA SER B 85 -2.872 -11.928 11.064 1.00 31.20 C ATOM 2929 C SER B 85 -1.818 -12.633 11.912 1.00 23.04 C ATOM 2930 O SER B 85 -2.055 -13.022 13.062 1.00 13.54 O ATOM 2931 CB SER B 85 -2.835 -10.412 11.310 1.00 63.31 C ATOM 2932 OG SER B 85 -1.558 -9.851 11.015 1.00 73.24 O ATOM 0 H SER B 85 -4.785 -11.970 11.938 1.00 61.21 H new ATOM 0 HA SER B 85 -2.613 -12.126 10.024 1.00 31.20 H new ATOM 0 HB2 SER B 85 -3.594 -9.927 10.696 1.00 63.31 H new ATOM 0 HB3 SER B 85 -3.088 -10.208 12.350 1.00 63.31 H new ATOM 0 HG SER B 85 -1.676 -8.987 10.567 1.00 73.24 H new ATOM 2938 N ASP B 86 -0.648 -12.763 11.282 1.00 34.31 N ATOM 2939 CA ASP B 86 0.569 -13.311 11.854 1.00 34.41 C ATOM 2940 C ASP B 86 1.742 -12.579 11.158 1.00 40.50 C ATOM 2941 O ASP B 86 1.654 -12.326 9.945 1.00 75.24 O ATOM 2942 CB ASP B 86 0.612 -14.849 11.611 1.00 31.50 C ATOM 2943 CG ASP B 86 1.805 -15.550 12.281 1.00 30.40 C ATOM 2944 OD1 ASP B 86 2.889 -15.616 11.664 1.00 42.32 O ATOM 2945 OD2 ASP B 86 1.670 -16.032 13.429 1.00 2.22 O ATOM 0 H ASP B 86 -0.525 -12.473 10.312 1.00 34.31 H new ATOM 0 HA ASP B 86 0.626 -13.163 12.932 1.00 34.41 H new ATOM 0 HB2 ASP B 86 -0.312 -15.292 11.981 1.00 31.50 H new ATOM 0 HB3 ASP B 86 0.648 -15.037 10.538 1.00 31.50 H new ATOM 2950 N PRO B 87 2.841 -12.203 11.878 1.00 32.33 N ATOM 2951 CA PRO B 87 3.943 -11.405 11.278 1.00 13.20 C ATOM 2952 C PRO B 87 4.672 -12.140 10.131 1.00 34.43 C ATOM 2953 O PRO B 87 5.184 -11.506 9.206 1.00 72.42 O ATOM 2954 CB PRO B 87 4.884 -11.128 12.476 1.00 53.23 C ATOM 2955 CG PRO B 87 4.583 -12.222 13.458 1.00 34.12 C ATOM 2956 CD PRO B 87 3.105 -12.496 13.316 1.00 2.24 C ATOM 0 HA PRO B 87 3.574 -10.496 10.804 1.00 13.20 H new ATOM 0 HB2 PRO B 87 5.930 -11.147 12.170 1.00 53.23 H new ATOM 0 HB3 PRO B 87 4.696 -10.145 12.908 1.00 53.23 H new ATOM 0 HG2 PRO B 87 5.170 -13.115 13.243 1.00 34.12 H new ATOM 0 HG3 PRO B 87 4.829 -11.916 14.475 1.00 34.12 H new ATOM 0 HD2 PRO B 87 2.861 -13.528 13.568 1.00 2.24 H new ATOM 0 HD3 PRO B 87 2.512 -11.859 13.972 1.00 2.24 H new ATOM 2964 N THR B 88 4.691 -13.482 10.177 1.00 31.44 N ATOM 2965 CA THR B 88 5.375 -14.286 9.150 1.00 62.31 C ATOM 2966 C THR B 88 4.408 -14.706 8.019 1.00 31.34 C ATOM 2967 O THR B 88 4.845 -15.305 7.028 1.00 63.03 O ATOM 2968 CB THR B 88 6.078 -15.539 9.773 1.00 14.32 C ATOM 2969 OG1 THR B 88 5.106 -16.482 10.242 1.00 21.14 O ATOM 2970 CG2 THR B 88 7.009 -15.153 10.944 1.00 73.32 C ATOM 0 H THR B 88 4.243 -14.031 10.910 1.00 31.44 H new ATOM 0 HA THR B 88 6.147 -13.653 8.712 1.00 62.31 H new ATOM 0 HB THR B 88 6.680 -15.989 8.984 1.00 14.32 H new ATOM 0 HG1 THR B 88 4.404 -16.010 10.736 1.00 21.14 H new ATOM 0 HG21 THR B 88 7.477 -16.051 11.348 1.00 73.32 H new ATOM 0 HG22 THR B 88 7.781 -14.471 10.586 1.00 73.32 H new ATOM 0 HG23 THR B 88 6.427 -14.664 11.725 1.00 73.32 H new ATOM 2978 N MET B 89 3.100 -14.369 8.159 1.00 11.03 N ATOM 2979 CA MET B 89 2.080 -14.650 7.123 1.00 40.41 C ATOM 2980 C MET B 89 2.380 -13.827 5.864 1.00 65.12 C ATOM 2981 O MET B 89 2.594 -14.404 4.791 1.00 20.20 O ATOM 2982 CB MET B 89 0.638 -14.357 7.646 1.00 33.43 C ATOM 2983 CG MET B 89 -0.512 -14.763 6.686 1.00 51.11 C ATOM 2984 SD MET B 89 -0.609 -13.755 5.178 1.00 3.14 S ATOM 2985 CE MET B 89 -1.872 -14.610 4.225 1.00 61.13 C ATOM 0 H MET B 89 2.729 -13.900 8.985 1.00 11.03 H new ATOM 0 HA MET B 89 2.125 -15.710 6.875 1.00 40.41 H new ATOM 0 HB2 MET B 89 0.500 -14.879 8.593 1.00 33.43 H new ATOM 0 HB3 MET B 89 0.555 -13.290 7.855 1.00 33.43 H new ATOM 0 HG2 MET B 89 -0.384 -15.808 6.404 1.00 51.11 H new ATOM 0 HG3 MET B 89 -1.459 -14.691 7.220 1.00 51.11 H new ATOM 0 HE1 MET B 89 -1.926 -14.181 3.225 1.00 61.13 H new ATOM 0 HE2 MET B 89 -1.619 -15.668 4.153 1.00 61.13 H new ATOM 0 HE3 MET B 89 -2.837 -14.501 4.719 1.00 61.13 H new ATOM 2995 N PHE B 90 2.424 -12.479 6.012 1.00 14.20 N ATOM 2996 CA PHE B 90 2.688 -11.573 4.880 1.00 51.50 C ATOM 2997 C PHE B 90 4.125 -11.759 4.339 1.00 73.23 C ATOM 2998 O PHE B 90 4.377 -11.587 3.144 1.00 3.41 O ATOM 2999 CB PHE B 90 2.365 -10.091 5.224 1.00 12.12 C ATOM 3000 CG PHE B 90 3.223 -9.448 6.315 1.00 42.43 C ATOM 3001 CD1 PHE B 90 4.433 -8.822 5.997 1.00 54.12 C ATOM 3002 CD2 PHE B 90 2.813 -9.445 7.649 1.00 45.35 C ATOM 3003 CE1 PHE B 90 5.206 -8.226 6.975 1.00 71.11 C ATOM 3004 CE2 PHE B 90 3.588 -8.847 8.626 1.00 30.44 C ATOM 3005 CZ PHE B 90 4.781 -8.236 8.289 1.00 72.34 C ATOM 0 H PHE B 90 2.280 -12.003 6.903 1.00 14.20 H new ATOM 0 HA PHE B 90 2.006 -11.847 4.075 1.00 51.50 H new ATOM 0 HB2 PHE B 90 2.466 -9.498 4.315 1.00 12.12 H new ATOM 0 HB3 PHE B 90 1.320 -10.030 5.529 1.00 12.12 H new ATOM 0 HD1 PHE B 90 4.768 -8.804 4.971 1.00 54.12 H new ATOM 0 HD2 PHE B 90 1.880 -9.915 7.922 1.00 45.35 H new ATOM 0 HE1 PHE B 90 6.141 -7.753 6.712 1.00 71.11 H new ATOM 0 HE2 PHE B 90 3.260 -8.858 9.655 1.00 30.44 H new ATOM 0 HZ PHE B 90 5.381 -7.766 9.054 1.00 72.34 H new ATOM 3015 N ASN B 91 5.047 -12.167 5.226 1.00 24.14 N ATOM 3016 CA ASN B 91 6.442 -12.470 4.857 1.00 52.40 C ATOM 3017 C ASN B 91 6.511 -13.709 3.927 1.00 4.20 C ATOM 3018 O ASN B 91 7.315 -13.751 2.996 1.00 51.44 O ATOM 3019 CB ASN B 91 7.267 -12.703 6.145 1.00 41.02 C ATOM 3020 CG ASN B 91 8.765 -12.922 5.911 1.00 24.40 C ATOM 3021 OD1 ASN B 91 9.342 -12.413 4.956 1.00 62.12 O ATOM 3022 ND2 ASN B 91 9.405 -13.656 6.805 1.00 50.32 N ATOM 0 H ASN B 91 4.848 -12.296 6.218 1.00 24.14 H new ATOM 0 HA ASN B 91 6.860 -11.626 4.309 1.00 52.40 H new ATOM 0 HB2 ASN B 91 7.137 -11.845 6.804 1.00 41.02 H new ATOM 0 HB3 ASN B 91 6.863 -13.570 6.667 1.00 41.02 H new ATOM 0 HD21 ASN B 91 10.409 -13.813 6.712 1.00 50.32 H new ATOM 0 HD22 ASN B 91 8.895 -14.065 7.588 1.00 50.32 H new ATOM 3029 N LYS B 92 5.611 -14.680 4.176 1.00 63.04 N ATOM 3030 CA LYS B 92 5.579 -15.981 3.470 1.00 62.44 C ATOM 3031 C LYS B 92 5.351 -15.829 1.948 1.00 71.25 C ATOM 3032 O LYS B 92 6.040 -16.466 1.142 1.00 51.32 O ATOM 3033 CB LYS B 92 4.485 -16.878 4.099 1.00 15.21 C ATOM 3034 CG LYS B 92 4.408 -18.313 3.537 1.00 52.42 C ATOM 3035 CD LYS B 92 3.296 -19.151 4.208 1.00 4.24 C ATOM 3036 CE LYS B 92 3.464 -19.278 5.737 1.00 41.13 C ATOM 3037 NZ LYS B 92 2.362 -20.074 6.345 1.00 65.40 N ATOM 0 H LYS B 92 4.878 -14.585 4.879 1.00 63.04 H new ATOM 0 HA LYS B 92 6.557 -16.448 3.589 1.00 62.44 H new ATOM 0 HB2 LYS B 92 4.658 -16.935 5.174 1.00 15.21 H new ATOM 0 HB3 LYS B 92 3.517 -16.397 3.957 1.00 15.21 H new ATOM 0 HG2 LYS B 92 4.228 -18.270 2.463 1.00 52.42 H new ATOM 0 HG3 LYS B 92 5.368 -18.808 3.680 1.00 52.42 H new ATOM 0 HD2 LYS B 92 2.329 -18.697 3.992 1.00 4.24 H new ATOM 0 HD3 LYS B 92 3.286 -20.148 3.767 1.00 4.24 H new ATOM 0 HE2 LYS B 92 4.421 -19.750 5.961 1.00 41.13 H new ATOM 0 HE3 LYS B 92 3.486 -18.285 6.185 1.00 41.13 H new ATOM 0 HZ1 LYS B 92 2.507 -20.139 7.373 1.00 65.40 H new ATOM 0 HZ2 LYS B 92 1.451 -19.610 6.152 1.00 65.40 H new ATOM 0 HZ3 LYS B 92 2.357 -21.030 5.935 1.00 65.40 H new ATOM 3051 N ILE B 93 4.382 -14.988 1.559 1.00 61.24 N ATOM 3052 CA ILE B 93 4.091 -14.732 0.132 1.00 2.13 C ATOM 3053 C ILE B 93 5.096 -13.729 -0.468 1.00 35.12 C ATOM 3054 O ILE B 93 5.368 -13.779 -1.670 1.00 74.41 O ATOM 3055 CB ILE B 93 2.625 -14.218 -0.123 1.00 11.25 C ATOM 3056 CG1 ILE B 93 2.271 -12.983 0.776 1.00 40.24 C ATOM 3057 CG2 ILE B 93 1.593 -15.361 0.050 1.00 63.04 C ATOM 3058 CD1 ILE B 93 1.497 -13.284 2.044 1.00 60.33 C ATOM 0 H ILE B 93 3.786 -14.473 2.206 1.00 61.24 H new ATOM 0 HA ILE B 93 4.190 -15.697 -0.365 1.00 2.13 H new ATOM 0 HB ILE B 93 2.577 -13.880 -1.158 1.00 11.25 H new ATOM 0 HG12 ILE B 93 3.199 -12.481 1.051 1.00 40.24 H new ATOM 0 HG13 ILE B 93 1.692 -12.278 0.179 1.00 40.24 H new ATOM 0 HG21 ILE B 93 0.590 -14.976 -0.132 1.00 63.04 H new ATOM 0 HG22 ILE B 93 1.810 -16.158 -0.661 1.00 63.04 H new ATOM 0 HG23 ILE B 93 1.652 -15.754 1.065 1.00 63.04 H new ATOM 0 HD11 ILE B 93 1.309 -12.356 2.584 1.00 60.33 H new ATOM 0 HD12 ILE B 93 0.547 -13.753 1.788 1.00 60.33 H new ATOM 0 HD13 ILE B 93 2.077 -13.959 2.673 1.00 60.33 H new ATOM 3070 N ALA B 94 5.635 -12.826 0.378 1.00 24.31 N ATOM 3071 CA ALA B 94 6.619 -11.808 -0.048 1.00 75.34 C ATOM 3072 C ALA B 94 7.911 -12.465 -0.576 1.00 15.43 C ATOM 3073 O ALA B 94 8.476 -12.022 -1.582 1.00 40.51 O ATOM 3074 CB ALA B 94 6.931 -10.847 1.109 1.00 74.21 C ATOM 0 H ALA B 94 5.402 -12.782 1.370 1.00 24.31 H new ATOM 0 HA ALA B 94 6.180 -11.236 -0.866 1.00 75.34 H new ATOM 0 HB1 ALA B 94 7.657 -10.104 0.779 1.00 74.21 H new ATOM 0 HB2 ALA B 94 6.015 -10.346 1.423 1.00 74.21 H new ATOM 0 HB3 ALA B 94 7.342 -11.409 1.948 1.00 74.21 H new ATOM 3080 N VAL B 95 8.352 -13.544 0.106 1.00 25.33 N ATOM 3081 CA VAL B 95 9.556 -14.299 -0.293 1.00 14.32 C ATOM 3082 C VAL B 95 9.269 -15.230 -1.490 1.00 1.24 C ATOM 3083 O VAL B 95 10.193 -15.620 -2.212 1.00 71.53 O ATOM 3084 CB VAL B 95 10.152 -15.141 0.901 1.00 4.04 C ATOM 3085 CG1 VAL B 95 10.464 -14.248 2.118 1.00 54.34 C ATOM 3086 CG2 VAL B 95 9.230 -16.312 1.305 1.00 54.31 C ATOM 0 H VAL B 95 7.889 -13.911 0.938 1.00 25.33 H new ATOM 0 HA VAL B 95 10.296 -13.557 -0.591 1.00 14.32 H new ATOM 0 HB VAL B 95 11.088 -15.571 0.544 1.00 4.04 H new ATOM 0 HG11 VAL B 95 10.873 -14.859 2.923 1.00 54.34 H new ATOM 0 HG12 VAL B 95 11.192 -13.488 1.834 1.00 54.34 H new ATOM 0 HG13 VAL B 95 9.548 -13.765 2.459 1.00 54.34 H new ATOM 0 HG21 VAL B 95 9.682 -16.863 2.130 1.00 54.31 H new ATOM 0 HG22 VAL B 95 8.261 -15.922 1.616 1.00 54.31 H new ATOM 0 HG23 VAL B 95 9.096 -16.980 0.454 1.00 54.31 H new ATOM 3096 N PHE B 96 7.989 -15.594 -1.680 1.00 74.15 N ATOM 3097 CA PHE B 96 7.563 -16.537 -2.733 1.00 63.11 C ATOM 3098 C PHE B 96 7.313 -15.788 -4.059 1.00 74.33 C ATOM 3099 O PHE B 96 7.400 -16.386 -5.139 1.00 2.14 O ATOM 3100 CB PHE B 96 6.289 -17.301 -2.270 1.00 1.44 C ATOM 3101 CG PHE B 96 5.946 -18.541 -3.107 1.00 13.50 C ATOM 3102 CD1 PHE B 96 6.665 -19.724 -2.946 1.00 15.42 C ATOM 3103 CD2 PHE B 96 4.922 -18.526 -4.054 1.00 32.30 C ATOM 3104 CE1 PHE B 96 6.369 -20.846 -3.699 1.00 75.21 C ATOM 3105 CE2 PHE B 96 4.628 -19.648 -4.808 1.00 32.44 C ATOM 3106 CZ PHE B 96 5.352 -20.808 -4.632 1.00 61.22 C ATOM 0 H PHE B 96 7.220 -15.244 -1.109 1.00 74.15 H new ATOM 0 HA PHE B 96 8.357 -17.263 -2.907 1.00 63.11 H new ATOM 0 HB2 PHE B 96 6.421 -17.605 -1.232 1.00 1.44 H new ATOM 0 HB3 PHE B 96 5.441 -16.616 -2.296 1.00 1.44 H new ATOM 0 HD1 PHE B 96 7.466 -19.765 -2.222 1.00 15.42 H new ATOM 0 HD2 PHE B 96 4.349 -17.623 -4.201 1.00 32.30 H new ATOM 0 HE1 PHE B 96 6.935 -21.755 -3.557 1.00 75.21 H new ATOM 0 HE2 PHE B 96 3.830 -19.615 -5.535 1.00 32.44 H new ATOM 0 HZ PHE B 96 5.124 -21.684 -5.222 1.00 61.22 H new ATOM 3116 N PHE B 97 6.988 -14.477 -3.942 1.00 72.41 N ATOM 3117 CA PHE B 97 6.729 -13.561 -5.084 1.00 24.34 C ATOM 3118 C PHE B 97 5.503 -13.993 -5.927 1.00 33.24 C ATOM 3119 O PHE B 97 5.382 -13.612 -7.095 1.00 14.13 O ATOM 3120 CB PHE B 97 7.998 -13.376 -5.969 1.00 61.22 C ATOM 3121 CG PHE B 97 9.201 -12.802 -5.220 1.00 53.54 C ATOM 3122 CD1 PHE B 97 9.293 -11.439 -4.959 1.00 65.44 C ATOM 3123 CD2 PHE B 97 10.231 -13.627 -4.770 1.00 4.32 C ATOM 3124 CE1 PHE B 97 10.377 -10.923 -4.276 1.00 20.01 C ATOM 3125 CE2 PHE B 97 11.313 -13.107 -4.087 1.00 61.31 C ATOM 3126 CZ PHE B 97 11.385 -11.756 -3.841 1.00 21.31 C ATOM 0 H PHE B 97 6.897 -14.017 -3.036 1.00 72.41 H new ATOM 0 HA PHE B 97 6.482 -12.590 -4.654 1.00 24.34 H new ATOM 0 HB2 PHE B 97 8.275 -14.340 -6.395 1.00 61.22 H new ATOM 0 HB3 PHE B 97 7.754 -12.717 -6.803 1.00 61.22 H new ATOM 0 HD1 PHE B 97 8.508 -10.777 -5.294 1.00 65.44 H new ATOM 0 HD2 PHE B 97 10.182 -14.689 -4.958 1.00 4.32 H new ATOM 0 HE1 PHE B 97 10.435 -9.862 -4.082 1.00 20.01 H new ATOM 0 HE2 PHE B 97 12.102 -13.761 -3.746 1.00 61.31 H new ATOM 0 HZ PHE B 97 12.231 -11.348 -3.307 1.00 21.31 H new ATOM 3136 N GLN B 98 4.586 -14.750 -5.295 1.00 12.11 N ATOM 3137 CA GLN B 98 3.304 -15.186 -5.891 1.00 5.13 C ATOM 3138 C GLN B 98 2.243 -15.326 -4.771 1.00 21.45 C ATOM 3139 O GLN B 98 2.444 -16.148 -3.853 1.00 44.11 O ATOM 3140 CB GLN B 98 3.455 -16.530 -6.683 1.00 32.01 C ATOM 3141 CG GLN B 98 3.953 -16.392 -8.134 1.00 13.51 C ATOM 3142 CD GLN B 98 3.020 -15.534 -8.999 1.00 13.34 C ATOM 3143 OE1 GLN B 98 3.218 -14.330 -9.173 1.00 21.23 O ATOM 3144 NE2 GLN B 98 1.964 -16.140 -9.502 1.00 3.04 N ATOM 3145 OXT GLN B 98 1.214 -14.621 -4.815 1.00 37.92 O ATOM 0 H GLN B 98 4.715 -15.083 -4.339 1.00 12.11 H new ATOM 0 HA GLN B 98 2.983 -14.431 -6.608 1.00 5.13 H new ATOM 0 HB2 GLN B 98 4.145 -17.176 -6.140 1.00 32.01 H new ATOM 0 HB3 GLN B 98 2.489 -17.035 -6.695 1.00 32.01 H new ATOM 0 HG2 GLN B 98 4.949 -15.950 -8.132 1.00 13.51 H new ATOM 0 HG3 GLN B 98 4.045 -17.383 -8.578 1.00 13.51 H new ATOM 0 HE21 GLN B 98 1.824 -17.138 -9.343 1.00 3.04 H new ATOM 0 HE22 GLN B 98 1.286 -15.611 -10.051 1.00 3.04 H new TER 3154 GLN B 98