USER MOD reduce.3.24.130724 H: found=0, std=0, add=1576, rem=0, adj=40 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 10 ASN : amide:sc= -0.0427 X(o=0.41,f=0.27) USER MOD Set 1.2: B 85 SER OG : rot -152:sc= 0.451 USER MOD Set 2.1: B 81 GLN : amide:sc= 0.335 K(o=0.079,f=-0.59) USER MOD Set 2.2: B 83 ASN : amide:sc= -0.256 K(o=0.079,f=-4.1!) USER MOD Set 2.3: B 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: B 16 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: B 53 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-0.78) USER MOD Set 4.1: B 43 CYS SG : rot 8:sc= 1.58 USER MOD Set 4.2: B 52 SER OG : rot -152:sc= 1.77 USER MOD Set 5.1: A 28 CYS SG : rot 159:sc= -1.37! USER MOD Set 5.2: B 28 CYS SG : rot 84:sc= -0.0154! USER MOD Set 6.1: B 6 THR OG1 : rot 180:sc= 0.163 USER MOD Set 6.2: B 8 HIS : no HD1:sc= 0 X(o=0.16,f=0.16) USER MOD Set 7.1: A 81 GLN : amide:sc= 0.277 K(o=0.13,f=-0.42) USER MOD Set 7.2: A 83 ASN : amide:sc= -0.147 K(o=0.13,f=-4.2!) USER MOD Set 7.3: A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 8.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 8.2: A 53 HIS : no HD1:sc= -0.297 K(o=-0.3,f=-0.82) USER MOD Set 9.1: A 43 CYS SG : rot 15:sc= 1.52 USER MOD Set 9.2: A 52 SER OG : rot -151:sc= 1.83 USER MOD Set10.1: A 10 ASN : amide:sc= -0.0232 X(o=0.46,f=0.47) USER MOD Set10.2: A 85 SER OG : rot -155:sc= 0.485 USER MOD Set11.1: A 4 GLN : amide:sc= -0.0222 K(o=0.03,f=-1.4) USER MOD Set11.2: A 6 THR OG1 : rot 180:sc= 0.0748 USER MOD Set11.3: A 8 HIS : no HD1:sc= -0.0223 K(o=0.03,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ 157:sc= 1.09 (180deg=0.755) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.0515 X(o=-0.051,f=-0.15) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.23) USER MOD Single : A 20 HIS : no HD1:sc= 0.0205 X(o=0.021,f=-0.41) USER MOD Single : A 24 MET CE :methyl -138:sc= -0.541 (180deg=-1.41) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00506 USER MOD Single : A 26 HIS : no HE2:sc= -0.355 K(o=-0.36,f=-1) USER MOD Single : A 37 ASN : amide:sc= -0.147 K(o=-0.15,f=-4.5!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 49 SER OG : rot 68:sc= 0.0484 USER MOD Single : A 51 LYS NZ :NH3+ 134:sc= -1.12 (180deg=-3.1!) USER MOD Single : A 59 ASN : amide:sc= 0.0564 K(o=0.056,f=-1.2) USER MOD Single : A 62 GLN : amide:sc= -0.578 K(o=-0.58,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 67 MET CE :methyl -128:sc= 0 (180deg=-1.62) USER MOD Single : A 69 SER OG : rot 68:sc= 0.976 USER MOD Single : A 70 GLN : amide:sc= -3.12! K(o=-3.1!,f=-1.3) USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= 0.57 (180deg=0.569) USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0476) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 24:sc= 0.687 USER MOD Single : A 91 ASN : amide:sc= -0.0432 K(o=-0.043,f=-0.84) USER MOD Single : A 92 LYS NZ :NH3+ 168:sc= 0.542 (180deg=0.407) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : B 1 GLY N :NH3+ -150:sc= 0.0845 (180deg=0.00664) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 5 ASN : amide:sc= -0.0667 X(o=-0.067,f=-0.29) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : B 19 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.28) USER MOD Single : B 20 HIS : no HD1:sc= 0.0315 K(o=0.031,f=-0.52) USER MOD Single : B 24 MET CE :methyl -158:sc= -0.467 (180deg=-1.37) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0.00117 USER MOD Single : B 26 HIS : no HE2:sc= -0.404 X(o=-0.4,f=-0.77) USER MOD Single : B 37 ASN : amide:sc= -0.115 K(o=-0.11,f=-4.6!) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 49 SER OG : rot 66:sc= 0.0703 USER MOD Single : B 51 LYS NZ :NH3+ 136:sc= -0.701 (180deg=-2.7!) USER MOD Single : B 59 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.4) USER MOD Single : B 62 GLN : amide:sc= -0.466 X(o=-0.47,f=0) USER MOD Single : B 66 GLN : amide:sc= -0.293 X(o=-0.29,f=0) USER MOD Single : B 67 MET CE :methyl -128:sc= 0 (180deg=-1.72) USER MOD Single : B 69 SER OG : rot 67:sc= 0.938 USER MOD Single : B 70 GLN : amide:sc= -3.34! K(o=-3.3!,f=-1.3) USER MOD Single : B 73 LYS NZ :NH3+ -178:sc= 0.527 (180deg=0.525) USER MOD Single : B 79 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0793) USER MOD Single : B 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 88 THR OG1 : rot 24:sc= 0.625 USER MOD Single : B 91 ASN : amide:sc= -0.0569 K(o=-0.057,f=-1.1) USER MOD Single : B 92 LYS NZ :NH3+ 168:sc= 0.55 (180deg=0.428) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.659 8.440 -19.227 1.00 32.23 N ATOM 2 CA GLY A 1 8.669 8.199 -20.275 1.00 73.35 C ATOM 3 C GLY A 1 8.683 6.752 -20.736 1.00 75.21 C ATOM 4 O GLY A 1 7.841 5.950 -20.313 1.00 54.34 O ATOM 0 H1 GLY A 1 7.924 9.282 -18.677 1.00 32.23 H new ATOM 0 H2 GLY A 1 6.730 8.593 -19.669 1.00 32.23 H new ATOM 0 H3 GLY A 1 7.610 7.615 -18.596 1.00 32.23 H new ATOM 0 HA2 GLY A 1 8.468 8.848 -21.127 1.00 73.35 H new ATOM 0 HA3 GLY A 1 9.655 8.467 -19.896 1.00 73.35 H new ATOM 10 N SER A 2 9.643 6.420 -21.616 1.00 44.14 N ATOM 11 CA SER A 2 9.834 5.056 -22.130 1.00 21.23 C ATOM 12 C SER A 2 10.399 4.163 -21.011 1.00 70.30 C ATOM 13 O SER A 2 11.571 4.282 -20.634 1.00 20.54 O ATOM 14 CB SER A 2 10.765 5.079 -23.368 1.00 1.21 C ATOM 15 OG SER A 2 10.198 5.854 -24.413 1.00 73.11 O ATOM 0 H SER A 2 10.310 7.094 -21.991 1.00 44.14 H new ATOM 0 HA SER A 2 8.877 4.642 -22.447 1.00 21.23 H new ATOM 0 HB2 SER A 2 11.736 5.490 -23.091 1.00 1.21 H new ATOM 0 HB3 SER A 2 10.938 4.061 -23.717 1.00 1.21 H new ATOM 0 HG SER A 2 10.803 5.856 -25.184 1.00 73.11 H new ATOM 21 N MET A 3 9.530 3.310 -20.462 1.00 35.50 N ATOM 22 CA MET A 3 9.857 2.444 -19.314 1.00 43.51 C ATOM 23 C MET A 3 10.230 1.031 -19.795 1.00 11.11 C ATOM 24 O MET A 3 9.787 0.582 -20.860 1.00 10.54 O ATOM 25 CB MET A 3 8.665 2.381 -18.309 1.00 70.30 C ATOM 26 CG MET A 3 7.398 1.681 -18.837 1.00 52.01 C ATOM 27 SD MET A 3 6.628 2.556 -20.224 1.00 12.24 S ATOM 28 CE MET A 3 5.320 1.426 -20.688 1.00 34.50 C ATOM 0 H MET A 3 8.574 3.196 -20.799 1.00 35.50 H new ATOM 0 HA MET A 3 10.716 2.873 -18.798 1.00 43.51 H new ATOM 0 HB2 MET A 3 8.997 1.865 -17.408 1.00 70.30 H new ATOM 0 HB3 MET A 3 8.404 3.398 -18.016 1.00 70.30 H new ATOM 0 HG2 MET A 3 7.653 0.669 -19.151 1.00 52.01 H new ATOM 0 HG3 MET A 3 6.675 1.591 -18.026 1.00 52.01 H new ATOM 0 HE1 MET A 3 4.765 1.838 -21.530 1.00 34.50 H new ATOM 0 HE2 MET A 3 5.752 0.467 -20.973 1.00 34.50 H new ATOM 0 HE3 MET A 3 4.646 1.284 -19.844 1.00 34.50 H new ATOM 38 N GLN A 4 11.049 0.353 -18.989 1.00 12.45 N ATOM 39 CA GLN A 4 11.477 -1.043 -19.217 1.00 5.55 C ATOM 40 C GLN A 4 10.520 -1.992 -18.456 1.00 10.10 C ATOM 41 O GLN A 4 9.379 -1.603 -18.155 1.00 22.44 O ATOM 42 CB GLN A 4 12.956 -1.184 -18.732 1.00 1.55 C ATOM 43 CG GLN A 4 13.912 -0.113 -19.301 1.00 63.32 C ATOM 44 CD GLN A 4 15.337 -0.189 -18.741 1.00 21.44 C ATOM 45 OE1 GLN A 4 15.824 -1.265 -18.388 1.00 62.22 O ATOM 46 NE2 GLN A 4 16.013 0.947 -18.655 1.00 41.15 N ATOM 0 H GLN A 4 11.445 0.760 -18.142 1.00 12.45 H new ATOM 0 HA GLN A 4 11.435 -1.309 -20.273 1.00 5.55 H new ATOM 0 HB2 GLN A 4 12.976 -1.132 -17.643 1.00 1.55 H new ATOM 0 HB3 GLN A 4 13.326 -2.171 -19.011 1.00 1.55 H new ATOM 0 HG2 GLN A 4 13.953 -0.216 -20.385 1.00 63.32 H new ATOM 0 HG3 GLN A 4 13.502 0.875 -19.090 1.00 63.32 H new ATOM 0 HE21 GLN A 4 15.582 1.821 -18.956 1.00 41.15 H new ATOM 0 HE22 GLN A 4 16.965 0.948 -18.288 1.00 41.15 H new ATOM 55 N ASN A 5 10.970 -3.238 -18.197 1.00 41.43 N ATOM 56 CA ASN A 5 10.236 -4.222 -17.370 1.00 32.02 C ATOM 57 C ASN A 5 11.152 -5.424 -17.038 1.00 54.33 C ATOM 58 O ASN A 5 11.269 -6.376 -17.818 1.00 50.41 O ATOM 59 CB ASN A 5 8.888 -4.675 -18.042 1.00 43.03 C ATOM 60 CG ASN A 5 9.025 -5.218 -19.474 1.00 23.22 C ATOM 61 OD1 ASN A 5 9.126 -6.424 -19.704 1.00 44.13 O ATOM 62 ND2 ASN A 5 9.044 -4.324 -20.451 1.00 1.21 N ATOM 0 H ASN A 5 11.856 -3.592 -18.557 1.00 41.43 H new ATOM 0 HA ASN A 5 9.956 -3.737 -16.435 1.00 32.02 H new ATOM 0 HB2 ASN A 5 8.430 -5.444 -17.420 1.00 43.03 H new ATOM 0 HB3 ASN A 5 8.203 -3.827 -18.055 1.00 43.03 H new ATOM 0 HD21 ASN A 5 9.144 -4.629 -21.419 1.00 1.21 H new ATOM 0 HD22 ASN A 5 8.959 -3.331 -20.235 1.00 1.21 H new ATOM 69 N THR A 6 11.873 -5.320 -15.904 1.00 1.01 N ATOM 70 CA THR A 6 12.706 -6.410 -15.351 1.00 43.33 C ATOM 71 C THR A 6 12.670 -6.334 -13.805 1.00 12.43 C ATOM 72 O THR A 6 11.995 -7.135 -13.160 1.00 40.03 O ATOM 73 CB THR A 6 14.195 -6.344 -15.877 1.00 41.43 C ATOM 74 OG1 THR A 6 14.641 -4.969 -15.911 1.00 1.22 O ATOM 75 CG2 THR A 6 14.369 -6.972 -17.273 1.00 0.51 C ATOM 0 H THR A 6 11.895 -4.470 -15.340 1.00 1.01 H new ATOM 0 HA THR A 6 12.297 -7.363 -15.687 1.00 43.33 H new ATOM 0 HB THR A 6 14.800 -6.927 -15.183 1.00 41.43 H new ATOM 0 HG1 THR A 6 15.565 -4.933 -16.236 1.00 1.22 H new ATOM 0 HG21 THR A 6 15.412 -6.896 -17.579 1.00 0.51 H new ATOM 0 HG22 THR A 6 14.077 -8.021 -17.239 1.00 0.51 H new ATOM 0 HG23 THR A 6 13.741 -6.444 -17.990 1.00 0.51 H new ATOM 83 N THR A 7 13.362 -5.324 -13.240 1.00 30.33 N ATOM 84 CA THR A 7 13.372 -5.007 -11.794 1.00 12.25 C ATOM 85 C THR A 7 13.886 -3.567 -11.623 1.00 25.42 C ATOM 86 O THR A 7 13.154 -2.689 -11.174 1.00 23.35 O ATOM 87 CB THR A 7 14.249 -6.002 -10.918 1.00 61.22 C ATOM 88 OG1 THR A 7 15.369 -6.477 -11.681 1.00 73.32 O ATOM 89 CG2 THR A 7 13.448 -7.203 -10.364 1.00 22.44 C ATOM 0 H THR A 7 13.944 -4.690 -13.788 1.00 30.33 H new ATOM 0 HA THR A 7 12.351 -5.118 -11.429 1.00 12.25 H new ATOM 0 HB THR A 7 14.594 -5.429 -10.057 1.00 61.22 H new ATOM 0 HG1 THR A 7 15.904 -7.088 -11.132 1.00 73.32 H new ATOM 0 HG21 THR A 7 14.108 -7.841 -9.776 1.00 22.44 H new ATOM 0 HG22 THR A 7 12.637 -6.839 -9.732 1.00 22.44 H new ATOM 0 HG23 THR A 7 13.033 -7.777 -11.193 1.00 22.44 H new ATOM 97 N HIS A 8 15.144 -3.323 -12.072 1.00 5.43 N ATOM 98 CA HIS A 8 15.851 -2.018 -11.890 1.00 30.43 C ATOM 99 C HIS A 8 15.104 -0.823 -12.551 1.00 1.52 C ATOM 100 O HIS A 8 15.444 0.340 -12.308 1.00 71.23 O ATOM 101 CB HIS A 8 17.302 -2.108 -12.442 1.00 60.12 C ATOM 102 CG HIS A 8 17.393 -2.029 -13.946 1.00 34.14 C ATOM 103 ND1 HIS A 8 17.997 -0.978 -14.599 1.00 50.14 N ATOM 104 CD2 HIS A 8 16.926 -2.847 -14.921 1.00 61.44 C ATOM 105 CE1 HIS A 8 17.891 -1.152 -15.896 1.00 2.04 C ATOM 106 NE2 HIS A 8 17.243 -2.272 -16.120 1.00 64.45 N ATOM 0 H HIS A 8 15.699 -4.019 -12.569 1.00 5.43 H new ATOM 0 HA HIS A 8 15.874 -1.824 -10.818 1.00 30.43 H new ATOM 0 HB2 HIS A 8 17.895 -1.302 -12.010 1.00 60.12 H new ATOM 0 HB3 HIS A 8 17.748 -3.045 -12.110 1.00 60.12 H new ATOM 0 HD2 HIS A 8 16.401 -3.780 -14.777 1.00 61.44 H new ATOM 0 HE1 HIS A 8 18.274 -0.484 -16.654 1.00 2.04 H new ATOM 0 HE2 HIS A 8 17.014 -2.651 -17.039 1.00 64.45 H new ATOM 115 N ASP A 9 14.129 -1.148 -13.420 1.00 61.12 N ATOM 116 CA ASP A 9 13.216 -0.184 -14.053 1.00 45.34 C ATOM 117 C ASP A 9 12.443 0.632 -13.002 1.00 2.40 C ATOM 118 O ASP A 9 12.479 1.874 -13.013 1.00 64.54 O ATOM 119 CB ASP A 9 12.232 -0.952 -14.976 1.00 31.53 C ATOM 120 CG ASP A 9 11.093 -0.072 -15.530 1.00 71.24 C ATOM 121 OD1 ASP A 9 11.387 0.991 -16.124 1.00 61.24 O ATOM 122 OD2 ASP A 9 9.914 -0.452 -15.388 1.00 54.05 O ATOM 0 H ASP A 9 13.952 -2.111 -13.707 1.00 61.12 H new ATOM 0 HA ASP A 9 13.802 0.521 -14.643 1.00 45.34 H new ATOM 0 HB2 ASP A 9 12.788 -1.380 -15.810 1.00 31.53 H new ATOM 0 HB3 ASP A 9 11.800 -1.784 -14.420 1.00 31.53 H new ATOM 127 N ASN A 10 11.764 -0.075 -12.083 1.00 52.24 N ATOM 128 CA ASN A 10 10.955 0.571 -11.042 1.00 22.34 C ATOM 129 C ASN A 10 11.860 1.092 -9.918 1.00 64.41 C ATOM 130 O ASN A 10 12.986 0.627 -9.737 1.00 74.53 O ATOM 131 CB ASN A 10 9.838 -0.368 -10.489 1.00 14.52 C ATOM 132 CG ASN A 10 10.346 -1.617 -9.762 1.00 33.31 C ATOM 133 OD1 ASN A 10 10.527 -2.672 -10.368 1.00 23.42 O ATOM 134 ND2 ASN A 10 10.574 -1.516 -8.458 1.00 62.21 N ATOM 0 H ASN A 10 11.761 -1.094 -12.042 1.00 52.24 H new ATOM 0 HA ASN A 10 10.442 1.418 -11.498 1.00 22.34 H new ATOM 0 HB2 ASN A 10 9.210 0.203 -9.805 1.00 14.52 H new ATOM 0 HB3 ASN A 10 9.203 -0.681 -11.318 1.00 14.52 H new ATOM 0 HD21 ASN A 10 10.908 -2.325 -7.934 1.00 62.21 H new ATOM 0 HD22 ASN A 10 10.416 -0.629 -7.980 1.00 62.21 H new ATOM 141 N VAL A 11 11.348 2.078 -9.182 1.00 51.44 N ATOM 142 CA VAL A 11 12.045 2.728 -8.074 1.00 24.41 C ATOM 143 C VAL A 11 11.272 2.402 -6.798 1.00 53.52 C ATOM 144 O VAL A 11 10.025 2.351 -6.811 1.00 42.20 O ATOM 145 CB VAL A 11 12.212 4.297 -8.271 1.00 54.01 C ATOM 146 CG1 VAL A 11 13.181 4.603 -9.437 1.00 73.22 C ATOM 147 CG2 VAL A 11 10.851 5.014 -8.485 1.00 64.04 C ATOM 0 H VAL A 11 10.414 2.456 -9.344 1.00 51.44 H new ATOM 0 HA VAL A 11 13.065 2.347 -8.020 1.00 24.41 H new ATOM 0 HB VAL A 11 12.638 4.690 -7.348 1.00 54.01 H new ATOM 0 HG11 VAL A 11 13.280 5.682 -9.554 1.00 73.22 H new ATOM 0 HG12 VAL A 11 14.158 4.170 -9.222 1.00 73.22 H new ATOM 0 HG13 VAL A 11 12.789 4.173 -10.359 1.00 73.22 H new ATOM 0 HG21 VAL A 11 11.019 6.083 -8.614 1.00 64.04 H new ATOM 0 HG22 VAL A 11 10.364 4.613 -9.374 1.00 64.04 H new ATOM 0 HG23 VAL A 11 10.213 4.850 -7.617 1.00 64.04 H new ATOM 157 N ILE A 12 12.027 2.122 -5.731 1.00 21.32 N ATOM 158 CA ILE A 12 11.494 1.712 -4.431 1.00 24.22 C ATOM 159 C ILE A 12 11.468 2.959 -3.544 1.00 53.35 C ATOM 160 O ILE A 12 12.441 3.274 -2.861 1.00 0.42 O ATOM 161 CB ILE A 12 12.399 0.583 -3.785 1.00 62.12 C ATOM 162 CG1 ILE A 12 12.823 -0.481 -4.828 1.00 74.24 C ATOM 163 CG2 ILE A 12 11.715 -0.104 -2.594 1.00 52.03 C ATOM 164 CD1 ILE A 12 11.711 -1.347 -5.385 1.00 3.23 C ATOM 0 H ILE A 12 13.045 2.176 -5.749 1.00 21.32 H new ATOM 0 HA ILE A 12 10.493 1.295 -4.539 1.00 24.22 H new ATOM 0 HB ILE A 12 13.292 1.090 -3.418 1.00 62.12 H new ATOM 0 HG12 ILE A 12 13.311 0.028 -5.659 1.00 74.24 H new ATOM 0 HG13 ILE A 12 13.569 -1.132 -4.371 1.00 74.24 H new ATOM 0 HG21 ILE A 12 12.376 -0.869 -2.187 1.00 52.03 H new ATOM 0 HG22 ILE A 12 11.498 0.635 -1.823 1.00 52.03 H new ATOM 0 HG23 ILE A 12 10.785 -0.566 -2.926 1.00 52.03 H new ATOM 0 HD11 ILE A 12 12.126 -2.053 -6.104 1.00 3.23 H new ATOM 0 HD12 ILE A 12 11.234 -1.895 -4.572 1.00 3.23 H new ATOM 0 HD13 ILE A 12 10.972 -0.717 -5.880 1.00 3.23 H new ATOM 176 N LEU A 13 10.364 3.696 -3.601 1.00 61.23 N ATOM 177 CA LEU A 13 10.259 5.002 -2.947 1.00 22.31 C ATOM 178 C LEU A 13 9.825 4.807 -1.503 1.00 65.50 C ATOM 179 O LEU A 13 8.673 4.487 -1.236 1.00 12.33 O ATOM 180 CB LEU A 13 9.267 5.898 -3.726 1.00 63.21 C ATOM 181 CG LEU A 13 9.683 6.216 -5.191 1.00 44.51 C ATOM 182 CD1 LEU A 13 8.569 6.960 -5.943 1.00 2.43 C ATOM 183 CD2 LEU A 13 11.008 7.006 -5.235 1.00 65.05 C ATOM 0 H LEU A 13 9.520 3.410 -4.098 1.00 61.23 H new ATOM 0 HA LEU A 13 11.228 5.502 -2.947 1.00 22.31 H new ATOM 0 HB2 LEU A 13 8.292 5.410 -3.738 1.00 63.21 H new ATOM 0 HB3 LEU A 13 9.147 6.837 -3.186 1.00 63.21 H new ATOM 0 HG LEU A 13 9.844 5.265 -5.700 1.00 44.51 H new ATOM 0 HD11 LEU A 13 8.893 7.166 -6.963 1.00 2.43 H new ATOM 0 HD12 LEU A 13 7.671 6.343 -5.966 1.00 2.43 H new ATOM 0 HD13 LEU A 13 8.351 7.899 -5.435 1.00 2.43 H new ATOM 0 HD21 LEU A 13 11.273 7.214 -6.272 1.00 65.05 H new ATOM 0 HD22 LEU A 13 10.889 7.946 -4.695 1.00 65.05 H new ATOM 0 HD23 LEU A 13 11.798 6.417 -4.769 1.00 65.05 H new ATOM 195 N GLU A 14 10.778 4.979 -0.587 1.00 53.33 N ATOM 196 CA GLU A 14 10.566 4.780 0.841 1.00 42.51 C ATOM 197 C GLU A 14 10.014 6.081 1.454 1.00 73.12 C ATOM 198 O GLU A 14 10.765 7.002 1.815 1.00 12.14 O ATOM 199 CB GLU A 14 11.901 4.343 1.508 1.00 31.20 C ATOM 200 CG GLU A 14 11.795 3.938 2.991 1.00 23.23 C ATOM 201 CD GLU A 14 13.148 3.531 3.602 1.00 75.51 C ATOM 202 OE1 GLU A 14 13.733 2.517 3.174 1.00 2.11 O ATOM 203 OE2 GLU A 14 13.628 4.211 4.520 1.00 41.11 O ATOM 0 H GLU A 14 11.729 5.264 -0.822 1.00 53.33 H new ATOM 0 HA GLU A 14 9.836 3.989 1.014 1.00 42.51 H new ATOM 0 HB2 GLU A 14 12.310 3.502 0.947 1.00 31.20 H new ATOM 0 HB3 GLU A 14 12.616 5.161 1.422 1.00 31.20 H new ATOM 0 HG2 GLU A 14 11.381 4.770 3.560 1.00 23.23 H new ATOM 0 HG3 GLU A 14 11.095 3.108 3.086 1.00 23.23 H new ATOM 210 N LEU A 15 8.677 6.173 1.475 1.00 44.14 N ATOM 211 CA LEU A 15 7.949 7.242 2.158 1.00 44.21 C ATOM 212 C LEU A 15 7.731 6.824 3.606 1.00 61.40 C ATOM 213 O LEU A 15 6.873 5.985 3.903 1.00 63.30 O ATOM 214 CB LEU A 15 6.570 7.553 1.498 1.00 51.14 C ATOM 215 CG LEU A 15 6.578 8.240 0.093 1.00 40.14 C ATOM 216 CD1 LEU A 15 7.443 9.517 0.090 1.00 14.32 C ATOM 217 CD2 LEU A 15 6.973 7.267 -1.043 1.00 64.41 C ATOM 0 H LEU A 15 8.068 5.498 1.012 1.00 44.14 H new ATOM 0 HA LEU A 15 8.546 8.151 2.089 1.00 44.21 H new ATOM 0 HB2 LEU A 15 6.020 6.616 1.410 1.00 51.14 H new ATOM 0 HB3 LEU A 15 6.007 8.190 2.180 1.00 51.14 H new ATOM 0 HG LEU A 15 5.552 8.544 -0.112 1.00 40.14 H new ATOM 0 HD11 LEU A 15 7.424 9.967 -0.903 1.00 14.32 H new ATOM 0 HD12 LEU A 15 7.047 10.226 0.817 1.00 14.32 H new ATOM 0 HD13 LEU A 15 8.469 9.262 0.354 1.00 14.32 H new ATOM 0 HD21 LEU A 15 6.962 7.796 -1.996 1.00 64.41 H new ATOM 0 HD22 LEU A 15 7.973 6.876 -0.856 1.00 64.41 H new ATOM 0 HD23 LEU A 15 6.262 6.442 -1.079 1.00 64.41 H new ATOM 229 N THR A 16 8.499 7.422 4.505 1.00 21.42 N ATOM 230 CA THR A 16 8.324 7.221 5.935 1.00 4.22 C ATOM 231 C THR A 16 7.238 8.190 6.382 1.00 30.13 C ATOM 232 O THR A 16 7.475 9.389 6.500 1.00 61.02 O ATOM 233 CB THR A 16 9.635 7.490 6.731 1.00 61.11 C ATOM 234 OG1 THR A 16 10.661 6.583 6.297 1.00 75.12 O ATOM 235 CG2 THR A 16 9.429 7.360 8.252 1.00 53.30 C ATOM 0 H THR A 16 9.259 8.058 4.264 1.00 21.42 H new ATOM 0 HA THR A 16 8.051 6.184 6.130 1.00 4.22 H new ATOM 0 HB THR A 16 9.937 8.518 6.530 1.00 61.11 H new ATOM 0 HG1 THR A 16 11.485 6.756 6.799 1.00 75.12 H new ATOM 0 HG21 THR A 16 10.371 7.556 8.765 1.00 53.30 H new ATOM 0 HG22 THR A 16 8.680 8.080 8.581 1.00 53.30 H new ATOM 0 HG23 THR A 16 9.091 6.351 8.488 1.00 53.30 H new ATOM 243 N VAL A 17 6.021 7.666 6.518 1.00 71.13 N ATOM 244 CA VAL A 17 4.848 8.444 6.901 1.00 24.52 C ATOM 245 C VAL A 17 4.511 8.172 8.369 1.00 5.10 C ATOM 246 O VAL A 17 4.714 7.061 8.860 1.00 22.12 O ATOM 247 CB VAL A 17 3.623 8.117 5.969 1.00 61.13 C ATOM 248 CG1 VAL A 17 4.021 8.184 4.470 1.00 25.41 C ATOM 249 CG2 VAL A 17 2.973 6.756 6.313 1.00 0.40 C ATOM 0 H VAL A 17 5.821 6.678 6.363 1.00 71.13 H new ATOM 0 HA VAL A 17 5.072 9.504 6.781 1.00 24.52 H new ATOM 0 HB VAL A 17 2.872 8.885 6.153 1.00 61.13 H new ATOM 0 HG11 VAL A 17 3.153 7.953 3.852 1.00 25.41 H new ATOM 0 HG12 VAL A 17 4.379 9.186 4.233 1.00 25.41 H new ATOM 0 HG13 VAL A 17 4.811 7.460 4.271 1.00 25.41 H new ATOM 0 HG21 VAL A 17 2.132 6.575 5.643 1.00 0.40 H new ATOM 0 HG22 VAL A 17 3.709 5.961 6.195 1.00 0.40 H new ATOM 0 HG23 VAL A 17 2.619 6.772 7.344 1.00 0.40 H new ATOM 259 N ARG A 18 4.028 9.191 9.077 1.00 44.54 N ATOM 260 CA ARG A 18 3.497 9.013 10.436 1.00 43.00 C ATOM 261 C ARG A 18 2.023 8.623 10.308 1.00 60.22 C ATOM 262 O ARG A 18 1.174 9.446 9.937 1.00 72.33 O ATOM 263 CB ARG A 18 3.736 10.270 11.316 1.00 75.52 C ATOM 264 CG ARG A 18 3.350 11.632 10.694 1.00 30.43 C ATOM 265 CD ARG A 18 3.810 12.808 11.576 1.00 60.21 C ATOM 266 NE ARG A 18 3.259 12.713 12.946 1.00 23.10 N ATOM 267 CZ ARG A 18 3.925 13.006 14.083 1.00 33.10 C ATOM 268 NH1 ARG A 18 5.190 13.432 14.051 1.00 11.34 N ATOM 269 NH2 ARG A 18 3.317 12.852 15.254 1.00 5.50 N ATOM 0 H ARG A 18 3.991 10.151 8.736 1.00 44.54 H new ATOM 0 HA ARG A 18 4.026 8.215 10.957 1.00 43.00 H new ATOM 0 HB2 ARG A 18 3.177 10.148 12.244 1.00 75.52 H new ATOM 0 HB3 ARG A 18 4.792 10.304 11.582 1.00 75.52 H new ATOM 0 HG2 ARG A 18 3.799 11.721 9.705 1.00 30.43 H new ATOM 0 HG3 ARG A 18 2.269 11.678 10.559 1.00 30.43 H new ATOM 0 HD2 ARG A 18 4.899 12.824 11.622 1.00 60.21 H new ATOM 0 HD3 ARG A 18 3.496 13.748 11.122 1.00 60.21 H new ATOM 0 HE ARG A 18 2.293 12.399 13.039 1.00 23.10 H new ATOM 0 HH11 ARG A 18 5.669 13.541 13.157 1.00 11.34 H new ATOM 0 HH12 ARG A 18 5.677 13.649 14.920 1.00 11.34 H new ATOM 0 HH21 ARG A 18 2.355 12.515 15.289 1.00 5.50 H new ATOM 0 HH22 ARG A 18 3.812 13.071 16.118 1.00 5.50 H new ATOM 283 N ASN A 19 1.759 7.332 10.587 1.00 42.23 N ATOM 284 CA ASN A 19 0.512 6.638 10.238 1.00 33.21 C ATOM 285 C ASN A 19 -0.688 7.215 11.004 1.00 2.22 C ATOM 286 O ASN A 19 -0.959 6.851 12.150 1.00 42.31 O ATOM 287 CB ASN A 19 0.667 5.105 10.478 1.00 62.25 C ATOM 288 CG ASN A 19 -0.578 4.269 10.111 1.00 5.43 C ATOM 289 OD1 ASN A 19 -1.380 4.645 9.247 1.00 13.33 O ATOM 290 ND2 ASN A 19 -0.742 3.122 10.759 1.00 60.53 N ATOM 0 H ASN A 19 2.425 6.732 11.073 1.00 42.23 H new ATOM 0 HA ASN A 19 0.313 6.799 9.178 1.00 33.21 H new ATOM 0 HB2 ASN A 19 1.516 4.743 9.897 1.00 62.25 H new ATOM 0 HB3 ASN A 19 0.905 4.937 11.528 1.00 62.25 H new ATOM 0 HD21 ASN A 19 -1.544 2.528 10.549 1.00 60.53 H new ATOM 0 HD22 ASN A 19 -0.066 2.835 11.467 1.00 60.53 H new ATOM 297 N HIS A 20 -1.314 8.205 10.368 1.00 24.33 N ATOM 298 CA HIS A 20 -2.652 8.705 10.718 1.00 54.22 C ATOM 299 C HIS A 20 -3.617 8.311 9.580 1.00 73.43 C ATOM 300 O HIS A 20 -3.172 8.223 8.422 1.00 33.24 O ATOM 301 CB HIS A 20 -2.629 10.248 10.967 1.00 72.22 C ATOM 302 CG HIS A 20 -2.155 11.115 9.821 1.00 73.10 C ATOM 303 ND1 HIS A 20 -0.878 11.635 9.752 1.00 61.15 N ATOM 304 CD2 HIS A 20 -2.806 11.602 8.729 1.00 41.25 C ATOM 305 CE1 HIS A 20 -0.769 12.405 8.690 1.00 1.20 C ATOM 306 NE2 HIS A 20 -1.921 12.401 8.049 1.00 35.12 N ATOM 0 H HIS A 20 -0.899 8.696 9.576 1.00 24.33 H new ATOM 0 HA HIS A 20 -2.994 8.257 11.651 1.00 54.22 H new ATOM 0 HB2 HIS A 20 -3.636 10.564 11.238 1.00 72.22 H new ATOM 0 HB3 HIS A 20 -1.991 10.444 11.828 1.00 72.22 H new ATOM 0 HD2 HIS A 20 -3.829 11.398 8.450 1.00 41.25 H new ATOM 0 HE1 HIS A 20 0.116 12.949 8.394 1.00 1.20 H new ATOM 0 HE2 HIS A 20 -2.122 12.909 7.188 1.00 35.12 H new ATOM 315 N PRO A 21 -4.936 8.051 9.873 1.00 73.44 N ATOM 316 CA PRO A 21 -5.912 7.606 8.844 1.00 62.30 C ATOM 317 C PRO A 21 -6.049 8.640 7.701 1.00 1.35 C ATOM 318 O PRO A 21 -6.693 9.684 7.860 1.00 74.01 O ATOM 319 CB PRO A 21 -7.237 7.431 9.645 1.00 32.30 C ATOM 320 CG PRO A 21 -6.818 7.310 11.082 1.00 11.03 C ATOM 321 CD PRO A 21 -5.579 8.167 11.215 1.00 55.52 C ATOM 0 HA PRO A 21 -5.609 6.687 8.342 1.00 62.30 H new ATOM 0 HB2 PRO A 21 -7.900 8.284 9.499 1.00 32.30 H new ATOM 0 HB3 PRO A 21 -7.780 6.545 9.318 1.00 32.30 H new ATOM 0 HG2 PRO A 21 -7.607 7.654 11.751 1.00 11.03 H new ATOM 0 HG3 PRO A 21 -6.608 6.273 11.344 1.00 11.03 H new ATOM 0 HD2 PRO A 21 -5.829 9.201 11.453 1.00 55.52 H new ATOM 0 HD3 PRO A 21 -4.924 7.806 12.008 1.00 55.52 H new ATOM 329 N GLY A 22 -5.367 8.358 6.580 1.00 51.22 N ATOM 330 CA GLY A 22 -5.326 9.267 5.437 1.00 34.14 C ATOM 331 C GLY A 22 -4.026 9.154 4.645 1.00 11.51 C ATOM 332 O GLY A 22 -4.063 9.219 3.419 1.00 42.54 O ATOM 0 H GLY A 22 -4.834 7.499 6.446 1.00 51.22 H new ATOM 0 HA2 GLY A 22 -6.168 9.055 4.778 1.00 34.14 H new ATOM 0 HA3 GLY A 22 -5.446 10.292 5.788 1.00 34.14 H new ATOM 336 N VAL A 23 -2.878 8.933 5.355 1.00 22.33 N ATOM 337 CA VAL A 23 -1.508 8.923 4.749 1.00 13.31 C ATOM 338 C VAL A 23 -1.402 8.035 3.483 1.00 73.31 C ATOM 339 O VAL A 23 -0.699 8.375 2.524 1.00 61.21 O ATOM 340 CB VAL A 23 -0.394 8.470 5.777 1.00 62.22 C ATOM 341 CG1 VAL A 23 -0.278 9.443 6.952 1.00 4.30 C ATOM 342 CG2 VAL A 23 -0.610 7.033 6.301 1.00 32.03 C ATOM 0 H VAL A 23 -2.876 8.757 6.360 1.00 22.33 H new ATOM 0 HA VAL A 23 -1.335 9.960 4.460 1.00 13.31 H new ATOM 0 HB VAL A 23 0.542 8.480 5.219 1.00 62.22 H new ATOM 0 HG11 VAL A 23 0.497 9.097 7.636 1.00 4.30 H new ATOM 0 HG12 VAL A 23 -0.018 10.434 6.580 1.00 4.30 H new ATOM 0 HG13 VAL A 23 -1.231 9.492 7.479 1.00 4.30 H new ATOM 0 HG21 VAL A 23 0.185 6.778 7.002 1.00 32.03 H new ATOM 0 HG22 VAL A 23 -1.574 6.971 6.807 1.00 32.03 H new ATOM 0 HG23 VAL A 23 -0.594 6.334 5.464 1.00 32.03 H new ATOM 352 N MET A 24 -2.147 6.921 3.504 1.00 2.00 N ATOM 353 CA MET A 24 -2.198 5.941 2.411 1.00 22.32 C ATOM 354 C MET A 24 -2.864 6.570 1.172 1.00 1.33 C ATOM 355 O MET A 24 -2.319 6.528 0.080 1.00 74.30 O ATOM 356 CB MET A 24 -3.003 4.702 2.865 1.00 25.30 C ATOM 357 CG MET A 24 -2.580 4.096 4.198 1.00 40.34 C ATOM 358 SD MET A 24 -3.782 2.885 4.760 1.00 22.02 S ATOM 359 CE MET A 24 -5.271 3.887 4.950 1.00 74.55 C ATOM 0 H MET A 24 -2.741 6.672 4.295 1.00 2.00 H new ATOM 0 HA MET A 24 -1.183 5.638 2.153 1.00 22.32 H new ATOM 0 HB2 MET A 24 -4.056 4.978 2.929 1.00 25.30 H new ATOM 0 HB3 MET A 24 -2.921 3.935 2.095 1.00 25.30 H new ATOM 0 HG2 MET A 24 -1.603 3.624 4.094 1.00 40.34 H new ATOM 0 HG3 MET A 24 -2.475 4.884 4.944 1.00 40.34 H new ATOM 0 HE1 MET A 24 -5.786 3.603 5.868 1.00 74.55 H new ATOM 0 HE2 MET A 24 -4.997 4.941 4.999 1.00 74.55 H new ATOM 0 HE3 MET A 24 -5.931 3.723 4.098 1.00 74.55 H new ATOM 369 N THR A 25 -4.042 7.186 1.389 1.00 72.25 N ATOM 370 CA THR A 25 -4.845 7.833 0.324 1.00 32.33 C ATOM 371 C THR A 25 -4.069 9.001 -0.345 1.00 45.33 C ATOM 372 O THR A 25 -4.242 9.279 -1.543 1.00 61.45 O ATOM 373 CB THR A 25 -6.208 8.345 0.914 1.00 43.34 C ATOM 374 OG1 THR A 25 -6.760 7.329 1.771 1.00 13.30 O ATOM 375 CG2 THR A 25 -7.237 8.686 -0.184 1.00 14.50 C ATOM 0 H THR A 25 -4.469 7.251 2.313 1.00 72.25 H new ATOM 0 HA THR A 25 -5.046 7.089 -0.446 1.00 32.33 H new ATOM 0 HB THR A 25 -6.002 9.260 1.469 1.00 43.34 H new ATOM 0 HG1 THR A 25 -7.610 7.642 2.144 1.00 13.30 H new ATOM 0 HG21 THR A 25 -8.160 9.035 0.278 1.00 14.50 H new ATOM 0 HG22 THR A 25 -6.836 9.468 -0.828 1.00 14.50 H new ATOM 0 HG23 THR A 25 -7.443 7.796 -0.779 1.00 14.50 H new ATOM 383 N HIS A 26 -3.185 9.641 0.450 1.00 20.43 N ATOM 384 CA HIS A 26 -2.335 10.759 -0.005 1.00 63.13 C ATOM 385 C HIS A 26 -1.236 10.255 -0.964 1.00 34.34 C ATOM 386 O HIS A 26 -1.111 10.772 -2.082 1.00 64.31 O ATOM 387 CB HIS A 26 -1.720 11.510 1.214 1.00 42.01 C ATOM 388 CG HIS A 26 -2.726 12.293 2.040 1.00 20.44 C ATOM 389 ND1 HIS A 26 -2.457 13.523 2.600 1.00 44.41 N ATOM 390 CD2 HIS A 26 -3.993 11.999 2.421 1.00 2.31 C ATOM 391 CE1 HIS A 26 -3.508 13.942 3.275 1.00 73.53 C ATOM 392 NE2 HIS A 26 -4.449 13.039 3.178 1.00 31.13 N ATOM 0 H HIS A 26 -3.041 9.395 1.429 1.00 20.43 H new ATOM 0 HA HIS A 26 -2.958 11.465 -0.555 1.00 63.13 H new ATOM 0 HB2 HIS A 26 -1.224 10.785 1.859 1.00 42.01 H new ATOM 0 HB3 HIS A 26 -0.952 12.195 0.854 1.00 42.01 H new ATOM 0 HD1 HIS A 26 -1.578 14.032 2.506 1.00 44.41 H new ATOM 0 HD2 HIS A 26 -4.542 11.104 2.171 1.00 2.31 H new ATOM 0 HE1 HIS A 26 -3.580 14.874 3.817 1.00 73.53 H new ATOM 401 N VAL A 27 -0.480 9.205 -0.546 1.00 64.11 N ATOM 402 CA VAL A 27 0.620 8.649 -1.372 1.00 72.12 C ATOM 403 C VAL A 27 0.059 8.052 -2.687 1.00 60.12 C ATOM 404 O VAL A 27 0.517 8.389 -3.803 1.00 60.34 O ATOM 405 CB VAL A 27 1.527 7.604 -0.575 1.00 33.34 C ATOM 406 CG1 VAL A 27 2.090 8.229 0.728 1.00 50.34 C ATOM 407 CG2 VAL A 27 0.801 6.279 -0.255 1.00 5.33 C ATOM 0 H VAL A 27 -0.612 8.733 0.348 1.00 64.11 H new ATOM 0 HA VAL A 27 1.284 9.474 -1.629 1.00 72.12 H new ATOM 0 HB VAL A 27 2.352 7.360 -1.245 1.00 33.34 H new ATOM 0 HG11 VAL A 27 2.703 7.494 1.249 1.00 50.34 H new ATOM 0 HG12 VAL A 27 2.698 9.099 0.481 1.00 50.34 H new ATOM 0 HG13 VAL A 27 1.265 8.534 1.371 1.00 50.34 H new ATOM 0 HG21 VAL A 27 1.476 5.616 0.287 1.00 5.33 H new ATOM 0 HG22 VAL A 27 -0.077 6.484 0.358 1.00 5.33 H new ATOM 0 HG23 VAL A 27 0.491 5.800 -1.184 1.00 5.33 H new ATOM 417 N CYS A 28 -1.028 7.278 -2.534 1.00 72.33 N ATOM 418 CA CYS A 28 -1.725 6.615 -3.636 1.00 3.52 C ATOM 419 C CYS A 28 -2.304 7.638 -4.626 1.00 72.44 C ATOM 420 O CYS A 28 -2.364 7.375 -5.825 1.00 31.12 O ATOM 421 CB CYS A 28 -2.838 5.726 -3.056 1.00 42.11 C ATOM 422 SG CYS A 28 -2.230 4.421 -1.966 1.00 13.35 S ATOM 0 H CYS A 28 -1.450 7.096 -1.624 1.00 72.33 H new ATOM 0 HA CYS A 28 -1.015 6.000 -4.189 1.00 3.52 H new ATOM 0 HB2 CYS A 28 -3.540 6.351 -2.504 1.00 42.11 H new ATOM 0 HB3 CYS A 28 -3.393 5.272 -3.877 1.00 42.11 H new ATOM 0 HG CYS A 28 -3.193 4.020 -1.190 1.00 13.35 H new ATOM 428 N GLY A 29 -2.675 8.821 -4.095 1.00 14.14 N ATOM 429 CA GLY A 29 -3.197 9.916 -4.899 1.00 32.23 C ATOM 430 C GLY A 29 -2.173 10.462 -5.889 1.00 52.43 C ATOM 431 O GLY A 29 -2.434 10.479 -7.092 1.00 50.51 O ATOM 0 H GLY A 29 -2.617 9.032 -3.099 1.00 14.14 H new ATOM 0 HA2 GLY A 29 -4.076 9.573 -5.444 1.00 32.23 H new ATOM 0 HA3 GLY A 29 -3.524 10.721 -4.240 1.00 32.23 H new ATOM 435 N LEU A 30 -0.976 10.844 -5.370 1.00 54.20 N ATOM 436 CA LEU A 30 0.103 11.473 -6.180 1.00 61.44 C ATOM 437 C LEU A 30 0.571 10.577 -7.347 1.00 11.21 C ATOM 438 O LEU A 30 0.731 11.056 -8.485 1.00 33.21 O ATOM 439 CB LEU A 30 1.328 11.880 -5.296 1.00 60.14 C ATOM 440 CG LEU A 30 1.239 13.283 -4.601 1.00 14.11 C ATOM 441 CD1 LEU A 30 1.057 14.421 -5.638 1.00 53.32 C ATOM 442 CD2 LEU A 30 0.145 13.335 -3.509 1.00 64.40 C ATOM 0 H LEU A 30 -0.733 10.726 -4.387 1.00 54.20 H new ATOM 0 HA LEU A 30 -0.335 12.374 -6.609 1.00 61.44 H new ATOM 0 HB2 LEU A 30 1.461 11.122 -4.524 1.00 60.14 H new ATOM 0 HB3 LEU A 30 2.222 11.861 -5.919 1.00 60.14 H new ATOM 0 HG LEU A 30 2.192 13.441 -4.097 1.00 14.11 H new ATOM 0 HD11 LEU A 30 0.999 15.379 -5.121 1.00 53.32 H new ATOM 0 HD12 LEU A 30 1.905 14.429 -6.322 1.00 53.32 H new ATOM 0 HD13 LEU A 30 0.138 14.257 -6.201 1.00 53.32 H new ATOM 0 HD21 LEU A 30 0.126 14.328 -3.060 1.00 64.40 H new ATOM 0 HD22 LEU A 30 -0.826 13.120 -3.956 1.00 64.40 H new ATOM 0 HD23 LEU A 30 0.363 12.593 -2.740 1.00 64.40 H new ATOM 454 N PHE A 31 0.787 9.288 -7.059 1.00 41.43 N ATOM 455 CA PHE A 31 1.343 8.339 -8.056 1.00 13.10 C ATOM 456 C PHE A 31 0.278 7.838 -9.065 1.00 24.12 C ATOM 457 O PHE A 31 0.608 7.580 -10.233 1.00 13.53 O ATOM 458 CB PHE A 31 2.054 7.178 -7.323 1.00 1.15 C ATOM 459 CG PHE A 31 3.225 7.668 -6.454 1.00 1.34 C ATOM 460 CD1 PHE A 31 4.395 8.149 -7.043 1.00 75.42 C ATOM 461 CD2 PHE A 31 3.138 7.692 -5.061 1.00 23.24 C ATOM 462 CE1 PHE A 31 5.438 8.626 -6.268 1.00 31.24 C ATOM 463 CE2 PHE A 31 4.181 8.176 -4.287 1.00 41.34 C ATOM 464 CZ PHE A 31 5.330 8.640 -4.890 1.00 21.21 C ATOM 0 H PHE A 31 0.589 8.870 -6.150 1.00 41.43 H new ATOM 0 HA PHE A 31 2.078 8.870 -8.661 1.00 13.10 H new ATOM 0 HB2 PHE A 31 1.334 6.652 -6.696 1.00 1.15 H new ATOM 0 HB3 PHE A 31 2.423 6.460 -8.056 1.00 1.15 H new ATOM 0 HD1 PHE A 31 4.488 8.149 -8.119 1.00 75.42 H new ATOM 0 HD2 PHE A 31 2.243 7.327 -4.578 1.00 23.24 H new ATOM 0 HE1 PHE A 31 6.339 8.988 -6.741 1.00 31.24 H new ATOM 0 HE2 PHE A 31 4.093 8.189 -3.211 1.00 41.34 H new ATOM 0 HZ PHE A 31 6.144 9.014 -4.287 1.00 21.21 H new ATOM 474 N ALA A 32 -0.996 7.746 -8.624 1.00 63.31 N ATOM 475 CA ALA A 32 -2.125 7.349 -9.505 1.00 53.43 C ATOM 476 C ALA A 32 -2.430 8.442 -10.541 1.00 72.41 C ATOM 477 O ALA A 32 -2.694 8.143 -11.708 1.00 22.41 O ATOM 478 CB ALA A 32 -3.390 7.038 -8.679 1.00 52.34 C ATOM 0 H ALA A 32 -1.272 7.941 -7.662 1.00 63.31 H new ATOM 0 HA ALA A 32 -1.824 6.445 -10.034 1.00 53.43 H new ATOM 0 HB1 ALA A 32 -4.200 6.750 -9.349 1.00 52.34 H new ATOM 0 HB2 ALA A 32 -3.182 6.220 -7.989 1.00 52.34 H new ATOM 0 HB3 ALA A 32 -3.683 7.923 -8.115 1.00 52.34 H new ATOM 484 N ARG A 33 -2.372 9.717 -10.103 1.00 14.12 N ATOM 485 CA ARG A 33 -2.741 10.873 -10.951 1.00 44.34 C ATOM 486 C ARG A 33 -1.596 11.298 -11.887 1.00 0.54 C ATOM 487 O ARG A 33 -1.782 12.208 -12.706 1.00 32.33 O ATOM 488 CB ARG A 33 -3.187 12.073 -10.074 1.00 52.13 C ATOM 489 CG ARG A 33 -2.049 12.747 -9.279 1.00 2.01 C ATOM 490 CD ARG A 33 -2.550 13.839 -8.319 1.00 42.21 C ATOM 491 NE ARG A 33 -3.187 14.950 -9.046 1.00 23.41 N ATOM 492 CZ ARG A 33 -4.111 15.787 -8.551 1.00 11.24 C ATOM 493 NH1 ARG A 33 -4.555 15.669 -7.298 1.00 33.21 N ATOM 494 NH2 ARG A 33 -4.586 16.759 -9.328 1.00 65.44 N ATOM 0 H ARG A 33 -2.072 9.974 -9.163 1.00 14.12 H new ATOM 0 HA ARG A 33 -3.575 10.556 -11.577 1.00 44.34 H new ATOM 0 HB2 ARG A 33 -3.656 12.820 -10.715 1.00 52.13 H new ATOM 0 HB3 ARG A 33 -3.948 11.731 -9.373 1.00 52.13 H new ATOM 0 HG2 ARG A 33 -1.513 11.988 -8.709 1.00 2.01 H new ATOM 0 HG3 ARG A 33 -1.335 13.185 -9.977 1.00 2.01 H new ATOM 0 HD2 ARG A 33 -3.263 13.407 -7.616 1.00 42.21 H new ATOM 0 HD3 ARG A 33 -1.714 14.219 -7.732 1.00 42.21 H new ATOM 0 HE ARG A 33 -2.900 15.096 -10.014 1.00 23.41 H new ATOM 0 HH11 ARG A 33 -4.191 14.931 -6.695 1.00 33.21 H new ATOM 0 HH12 ARG A 33 -5.258 16.317 -6.943 1.00 33.21 H new ATOM 0 HH21 ARG A 33 -4.247 16.859 -10.285 1.00 65.44 H new ATOM 0 HH22 ARG A 33 -5.289 17.404 -8.966 1.00 65.44 H new ATOM 508 N ARG A 34 -0.404 10.657 -11.755 1.00 50.52 N ATOM 509 CA ARG A 34 0.705 10.882 -12.679 1.00 11.23 C ATOM 510 C ARG A 34 0.331 10.302 -14.051 1.00 1.31 C ATOM 511 O ARG A 34 -0.092 11.040 -14.947 1.00 13.44 O ATOM 512 CB ARG A 34 2.044 10.278 -12.124 1.00 24.42 C ATOM 513 CG ARG A 34 3.244 10.186 -13.127 1.00 3.41 C ATOM 514 CD ARG A 34 3.768 11.550 -13.639 1.00 62.50 C ATOM 515 NE ARG A 34 2.810 12.248 -14.526 1.00 30.45 N ATOM 516 CZ ARG A 34 2.868 12.306 -15.872 1.00 22.52 C ATOM 517 NH1 ARG A 34 3.853 11.721 -16.557 1.00 1.51 N ATOM 518 NH2 ARG A 34 1.930 12.960 -16.541 1.00 74.12 N ATOM 0 H ARG A 34 -0.202 9.985 -11.015 1.00 50.52 H new ATOM 0 HA ARG A 34 0.880 11.952 -12.787 1.00 11.23 H new ATOM 0 HB2 ARG A 34 2.360 10.878 -11.270 1.00 24.42 H new ATOM 0 HB3 ARG A 34 1.836 9.276 -11.750 1.00 24.42 H new ATOM 0 HG2 ARG A 34 4.064 9.656 -12.643 1.00 3.41 H new ATOM 0 HG3 ARG A 34 2.938 9.585 -13.984 1.00 3.41 H new ATOM 0 HD2 ARG A 34 3.994 12.189 -12.785 1.00 62.50 H new ATOM 0 HD3 ARG A 34 4.703 11.394 -14.177 1.00 62.50 H new ATOM 0 HE ARG A 34 2.032 12.731 -14.076 1.00 30.45 H new ATOM 0 HH11 ARG A 34 4.587 11.214 -16.062 1.00 1.51 H new ATOM 0 HH12 ARG A 34 3.872 11.781 -17.575 1.00 1.51 H new ATOM 0 HH21 ARG A 34 1.169 13.416 -16.038 1.00 74.12 H new ATOM 0 HH22 ARG A 34 1.969 13.007 -17.559 1.00 74.12 H new ATOM 532 N ALA A 35 0.432 8.974 -14.167 1.00 44.42 N ATOM 533 CA ALA A 35 0.321 8.259 -15.447 1.00 52.24 C ATOM 534 C ALA A 35 0.546 6.779 -15.194 1.00 21.41 C ATOM 535 O ALA A 35 -0.313 5.935 -15.474 1.00 11.01 O ATOM 536 CB ALA A 35 1.353 8.777 -16.474 1.00 24.45 C ATOM 0 H ALA A 35 0.594 8.358 -13.370 1.00 44.42 H new ATOM 0 HA ALA A 35 -0.672 8.430 -15.862 1.00 52.24 H new ATOM 0 HB1 ALA A 35 1.244 8.227 -17.409 1.00 24.45 H new ATOM 0 HB2 ALA A 35 1.184 9.838 -16.655 1.00 24.45 H new ATOM 0 HB3 ALA A 35 2.360 8.631 -16.083 1.00 24.45 H new ATOM 542 N PHE A 36 1.727 6.498 -14.625 1.00 1.23 N ATOM 543 CA PHE A 36 2.215 5.142 -14.390 1.00 0.31 C ATOM 544 C PHE A 36 1.476 4.488 -13.223 1.00 61.41 C ATOM 545 O PHE A 36 1.214 5.132 -12.197 1.00 72.55 O ATOM 546 CB PHE A 36 3.743 5.162 -14.135 1.00 63.32 C ATOM 547 CG PHE A 36 4.550 5.465 -15.392 1.00 44.40 C ATOM 548 CD1 PHE A 36 4.748 4.474 -16.357 1.00 51.45 C ATOM 549 CD2 PHE A 36 5.075 6.732 -15.631 1.00 22.55 C ATOM 550 CE1 PHE A 36 5.464 4.736 -17.504 1.00 31.14 C ATOM 551 CE2 PHE A 36 5.787 6.990 -16.786 1.00 25.53 C ATOM 552 CZ PHE A 36 5.975 5.996 -17.720 1.00 2.22 C ATOM 0 H PHE A 36 2.375 7.221 -14.312 1.00 1.23 H new ATOM 0 HA PHE A 36 2.019 4.545 -15.281 1.00 0.31 H new ATOM 0 HB2 PHE A 36 3.970 5.910 -13.375 1.00 63.32 H new ATOM 0 HB3 PHE A 36 4.052 4.196 -13.735 1.00 63.32 H new ATOM 0 HD1 PHE A 36 4.334 3.489 -16.201 1.00 51.45 H new ATOM 0 HD2 PHE A 36 4.924 7.519 -14.907 1.00 22.55 H new ATOM 0 HE1 PHE A 36 5.624 3.955 -18.232 1.00 31.14 H new ATOM 0 HE2 PHE A 36 6.197 7.974 -16.957 1.00 25.53 H new ATOM 0 HZ PHE A 36 6.525 6.206 -18.625 1.00 2.22 H new ATOM 562 N ASN A 37 1.132 3.210 -13.417 1.00 42.11 N ATOM 563 CA ASN A 37 0.506 2.373 -12.396 1.00 74.32 C ATOM 564 C ASN A 37 1.575 1.968 -11.387 1.00 33.01 C ATOM 565 O ASN A 37 2.694 1.598 -11.779 1.00 24.22 O ATOM 566 CB ASN A 37 -0.117 1.085 -13.017 1.00 61.52 C ATOM 567 CG ASN A 37 -1.038 1.334 -14.220 1.00 65.41 C ATOM 568 OD1 ASN A 37 -0.845 2.271 -14.999 1.00 14.15 O ATOM 569 ND2 ASN A 37 -2.044 0.500 -14.389 1.00 51.33 N ATOM 0 H ASN A 37 1.284 2.724 -14.301 1.00 42.11 H new ATOM 0 HA ASN A 37 -0.293 2.941 -11.920 1.00 74.32 H new ATOM 0 HB2 ASN A 37 0.690 0.420 -13.326 1.00 61.52 H new ATOM 0 HB3 ASN A 37 -0.683 0.563 -12.245 1.00 61.52 H new ATOM 0 HD21 ASN A 37 -2.681 0.623 -15.176 1.00 51.33 H new ATOM 0 HD22 ASN A 37 -2.185 -0.268 -13.733 1.00 51.33 H new ATOM 576 N VAL A 38 1.248 2.072 -10.098 1.00 63.25 N ATOM 577 CA VAL A 38 2.088 1.526 -9.043 1.00 3.54 C ATOM 578 C VAL A 38 1.914 0.013 -9.054 1.00 22.43 C ATOM 579 O VAL A 38 0.826 -0.491 -8.748 1.00 11.24 O ATOM 580 CB VAL A 38 1.719 2.093 -7.642 1.00 74.40 C ATOM 581 CG1 VAL A 38 2.591 1.452 -6.551 1.00 53.12 C ATOM 582 CG2 VAL A 38 1.838 3.626 -7.630 1.00 31.33 C ATOM 0 H VAL A 38 0.402 2.533 -9.763 1.00 63.25 H new ATOM 0 HA VAL A 38 3.124 1.809 -9.231 1.00 3.54 H new ATOM 0 HB VAL A 38 0.681 1.839 -7.427 1.00 74.40 H new ATOM 0 HG11 VAL A 38 2.317 1.862 -5.579 1.00 53.12 H new ATOM 0 HG12 VAL A 38 2.434 0.373 -6.547 1.00 53.12 H new ATOM 0 HG13 VAL A 38 3.641 1.665 -6.752 1.00 53.12 H new ATOM 0 HG21 VAL A 38 1.576 4.004 -6.642 1.00 31.33 H new ATOM 0 HG22 VAL A 38 2.862 3.913 -7.868 1.00 31.33 H new ATOM 0 HG23 VAL A 38 1.160 4.049 -8.372 1.00 31.33 H new ATOM 592 N GLU A 39 2.975 -0.695 -9.437 1.00 1.23 N ATOM 593 CA GLU A 39 2.899 -2.130 -9.692 1.00 64.23 C ATOM 594 C GLU A 39 2.957 -2.901 -8.363 1.00 33.30 C ATOM 595 O GLU A 39 2.282 -3.924 -8.196 1.00 51.32 O ATOM 596 CB GLU A 39 4.026 -2.555 -10.673 1.00 32.30 C ATOM 597 CG GLU A 39 3.786 -3.905 -11.378 1.00 34.42 C ATOM 598 CD GLU A 39 2.476 -3.934 -12.205 1.00 22.43 C ATOM 599 OE1 GLU A 39 2.482 -3.455 -13.364 1.00 23.42 O ATOM 600 OE2 GLU A 39 1.432 -4.418 -11.699 1.00 43.54 O ATOM 0 H GLU A 39 3.902 -0.294 -9.578 1.00 1.23 H new ATOM 0 HA GLU A 39 1.949 -2.373 -10.167 1.00 64.23 H new ATOM 0 HB2 GLU A 39 4.142 -1.780 -11.430 1.00 32.30 H new ATOM 0 HB3 GLU A 39 4.966 -2.608 -10.125 1.00 32.30 H new ATOM 0 HG2 GLU A 39 4.629 -4.120 -12.035 1.00 34.42 H new ATOM 0 HG3 GLU A 39 3.755 -4.698 -10.631 1.00 34.42 H new ATOM 607 N GLY A 40 3.722 -2.359 -7.392 1.00 23.55 N ATOM 608 CA GLY A 40 3.886 -3.002 -6.085 1.00 3.54 C ATOM 609 C GLY A 40 3.916 -1.990 -4.956 1.00 31.32 C ATOM 610 O GLY A 40 4.329 -0.848 -5.155 1.00 5.22 O ATOM 0 H GLY A 40 4.231 -1.481 -7.494 1.00 23.55 H new ATOM 0 HA2 GLY A 40 3.069 -3.704 -5.921 1.00 3.54 H new ATOM 0 HA3 GLY A 40 4.810 -3.580 -6.078 1.00 3.54 H new ATOM 614 N ILE A 41 3.464 -2.401 -3.771 1.00 54.23 N ATOM 615 CA ILE A 41 3.482 -1.573 -2.548 1.00 43.31 C ATOM 616 C ILE A 41 3.977 -2.463 -1.399 1.00 24.15 C ATOM 617 O ILE A 41 3.771 -3.678 -1.409 1.00 64.15 O ATOM 618 CB ILE A 41 2.052 -0.974 -2.184 1.00 1.20 C ATOM 619 CG1 ILE A 41 1.437 -0.198 -3.393 1.00 0.14 C ATOM 620 CG2 ILE A 41 2.113 -0.060 -0.923 1.00 3.14 C ATOM 621 CD1 ILE A 41 0.021 0.314 -3.179 1.00 24.13 C ATOM 0 H ILE A 41 3.068 -3.329 -3.624 1.00 54.23 H new ATOM 0 HA ILE A 41 4.139 -0.719 -2.714 1.00 43.31 H new ATOM 0 HB ILE A 41 1.403 -1.819 -1.953 1.00 1.20 H new ATOM 0 HG12 ILE A 41 2.082 0.649 -3.626 1.00 0.14 H new ATOM 0 HG13 ILE A 41 1.442 -0.852 -4.265 1.00 0.14 H new ATOM 0 HG21 ILE A 41 1.118 0.329 -0.707 1.00 3.14 H new ATOM 0 HG22 ILE A 41 2.469 -0.639 -0.071 1.00 3.14 H new ATOM 0 HG23 ILE A 41 2.795 0.770 -1.108 1.00 3.14 H new ATOM 0 HD11 ILE A 41 -0.316 0.838 -4.074 1.00 24.13 H new ATOM 0 HD12 ILE A 41 -0.643 -0.527 -2.979 1.00 24.13 H new ATOM 0 HD13 ILE A 41 0.006 0.998 -2.331 1.00 24.13 H new ATOM 633 N LEU A 42 4.651 -1.852 -0.441 1.00 73.50 N ATOM 634 CA LEU A 42 5.086 -2.505 0.789 1.00 74.32 C ATOM 635 C LEU A 42 5.061 -1.441 1.887 1.00 73.12 C ATOM 636 O LEU A 42 5.306 -0.279 1.613 1.00 34.53 O ATOM 637 CB LEU A 42 6.494 -3.128 0.592 1.00 73.22 C ATOM 638 CG LEU A 42 7.139 -3.840 1.825 1.00 53.41 C ATOM 639 CD1 LEU A 42 6.189 -4.867 2.466 1.00 62.55 C ATOM 640 CD2 LEU A 42 8.474 -4.494 1.422 1.00 23.12 C ATOM 0 H LEU A 42 4.918 -0.869 -0.494 1.00 73.50 H new ATOM 0 HA LEU A 42 4.429 -3.328 1.069 1.00 74.32 H new ATOM 0 HB2 LEU A 42 6.433 -3.851 -0.222 1.00 73.22 H new ATOM 0 HB3 LEU A 42 7.170 -2.338 0.266 1.00 73.22 H new ATOM 0 HG LEU A 42 7.334 -3.080 2.582 1.00 53.41 H new ATOM 0 HD11 LEU A 42 6.681 -5.336 3.318 1.00 62.55 H new ATOM 0 HD12 LEU A 42 5.282 -4.364 2.802 1.00 62.55 H new ATOM 0 HD13 LEU A 42 5.930 -5.630 1.732 1.00 62.55 H new ATOM 0 HD21 LEU A 42 8.914 -4.987 2.289 1.00 23.12 H new ATOM 0 HD22 LEU A 42 8.297 -5.230 0.638 1.00 23.12 H new ATOM 0 HD23 LEU A 42 9.157 -3.729 1.054 1.00 23.12 H new ATOM 652 N CYS A 43 4.689 -1.839 3.103 1.00 43.44 N ATOM 653 CA CYS A 43 4.591 -0.933 4.246 1.00 74.35 C ATOM 654 C CYS A 43 4.827 -1.713 5.532 1.00 1.31 C ATOM 655 O CYS A 43 3.966 -2.502 5.951 1.00 13.12 O ATOM 656 CB CYS A 43 3.215 -0.235 4.266 1.00 44.32 C ATOM 657 SG CYS A 43 2.894 0.779 5.725 1.00 43.00 S ATOM 0 H CYS A 43 4.446 -2.805 3.324 1.00 43.44 H new ATOM 0 HA CYS A 43 5.354 -0.159 4.160 1.00 74.35 H new ATOM 0 HB2 CYS A 43 3.131 0.394 3.380 1.00 44.32 H new ATOM 0 HB3 CYS A 43 2.438 -0.996 4.193 1.00 44.32 H new ATOM 0 HG CYS A 43 4.007 0.985 6.364 1.00 43.00 H new ATOM 663 N LEU A 44 6.029 -1.549 6.111 1.00 72.55 N ATOM 664 CA LEU A 44 6.364 -2.101 7.437 1.00 30.13 C ATOM 665 C LEU A 44 6.270 -0.972 8.480 1.00 61.44 C ATOM 666 O LEU A 44 7.006 0.028 8.373 1.00 2.23 O ATOM 667 CB LEU A 44 7.770 -2.798 7.455 1.00 54.13 C ATOM 668 CG LEU A 44 7.757 -4.358 7.303 1.00 23.24 C ATOM 669 CD1 LEU A 44 6.989 -4.810 6.047 1.00 12.13 C ATOM 670 CD2 LEU A 44 9.187 -4.933 7.322 1.00 31.22 C ATOM 0 H LEU A 44 6.793 -1.032 5.676 1.00 72.55 H new ATOM 0 HA LEU A 44 5.647 -2.884 7.685 1.00 30.13 H new ATOM 0 HB2 LEU A 44 8.374 -2.378 6.650 1.00 54.13 H new ATOM 0 HB3 LEU A 44 8.268 -2.547 8.392 1.00 54.13 H new ATOM 0 HG LEU A 44 7.223 -4.759 8.165 1.00 23.24 H new ATOM 0 HD11 LEU A 44 7.006 -5.898 5.982 1.00 12.13 H new ATOM 0 HD12 LEU A 44 5.956 -4.466 6.108 1.00 12.13 H new ATOM 0 HD13 LEU A 44 7.460 -4.386 5.160 1.00 12.13 H new ATOM 0 HD21 LEU A 44 9.145 -6.017 7.215 1.00 31.22 H new ATOM 0 HD22 LEU A 44 9.761 -4.509 6.498 1.00 31.22 H new ATOM 0 HD23 LEU A 44 9.668 -4.680 8.267 1.00 31.22 H new ATOM 682 N PRO A 45 5.344 -1.102 9.483 1.00 4.14 N ATOM 683 CA PRO A 45 5.232 -0.141 10.598 1.00 50.43 C ATOM 684 C PRO A 45 6.468 -0.183 11.508 1.00 74.21 C ATOM 685 O PRO A 45 6.930 -1.266 11.886 1.00 12.03 O ATOM 686 CB PRO A 45 3.965 -0.614 11.358 1.00 53.40 C ATOM 687 CG PRO A 45 3.845 -2.071 11.029 1.00 60.34 C ATOM 688 CD PRO A 45 4.322 -2.190 9.603 1.00 70.30 C ATOM 0 HA PRO A 45 5.165 0.891 10.254 1.00 50.43 H new ATOM 0 HB2 PRO A 45 4.066 -0.458 12.432 1.00 53.40 H new ATOM 0 HB3 PRO A 45 3.082 -0.062 11.037 1.00 53.40 H new ATOM 0 HG2 PRO A 45 4.452 -2.678 11.700 1.00 60.34 H new ATOM 0 HG3 PRO A 45 2.816 -2.415 11.131 1.00 60.34 H new ATOM 0 HD2 PRO A 45 4.755 -3.171 9.405 1.00 70.30 H new ATOM 0 HD3 PRO A 45 3.505 -2.053 8.894 1.00 70.30 H new ATOM 696 N ILE A 46 7.021 0.992 11.829 1.00 14.31 N ATOM 697 CA ILE A 46 8.082 1.096 12.828 1.00 1.13 C ATOM 698 C ILE A 46 7.435 0.945 14.213 1.00 35.22 C ATOM 699 O ILE A 46 6.818 1.876 14.726 1.00 73.03 O ATOM 700 CB ILE A 46 8.883 2.445 12.720 1.00 22.15 C ATOM 701 CG1 ILE A 46 9.426 2.663 11.266 1.00 23.51 C ATOM 702 CG2 ILE A 46 10.029 2.503 13.760 1.00 70.41 C ATOM 703 CD1 ILE A 46 10.336 1.561 10.718 1.00 55.40 C ATOM 0 H ILE A 46 6.749 1.881 11.410 1.00 14.31 H new ATOM 0 HA ILE A 46 8.814 0.307 12.657 1.00 1.13 H new ATOM 0 HB ILE A 46 8.193 3.259 12.944 1.00 22.15 H new ATOM 0 HG12 ILE A 46 8.575 2.772 10.594 1.00 23.51 H new ATOM 0 HG13 ILE A 46 9.974 3.605 11.241 1.00 23.51 H new ATOM 0 HG21 ILE A 46 10.564 3.448 13.660 1.00 70.41 H new ATOM 0 HG22 ILE A 46 9.613 2.426 14.765 1.00 70.41 H new ATOM 0 HG23 ILE A 46 10.718 1.676 13.589 1.00 70.41 H new ATOM 0 HD11 ILE A 46 10.651 1.818 9.707 1.00 55.40 H new ATOM 0 HD12 ILE A 46 11.214 1.462 11.357 1.00 55.40 H new ATOM 0 HD13 ILE A 46 9.793 0.616 10.700 1.00 55.40 H new ATOM 715 N GLN A 47 7.546 -0.267 14.773 1.00 52.43 N ATOM 716 CA GLN A 47 6.952 -0.630 16.078 1.00 73.41 C ATOM 717 C GLN A 47 7.456 0.260 17.238 1.00 2.50 C ATOM 718 O GLN A 47 6.801 0.361 18.281 1.00 25.25 O ATOM 719 CB GLN A 47 7.238 -2.122 16.386 1.00 4.14 C ATOM 720 CG GLN A 47 8.733 -2.503 16.376 1.00 50.11 C ATOM 721 CD GLN A 47 9.004 -3.994 16.619 1.00 24.14 C ATOM 722 OE1 GLN A 47 8.264 -4.671 17.333 1.00 61.14 O ATOM 723 NE2 GLN A 47 10.069 -4.511 16.029 1.00 64.04 N ATOM 0 H GLN A 47 8.054 -1.034 14.333 1.00 52.43 H new ATOM 0 HA GLN A 47 5.878 -0.463 16.000 1.00 73.41 H new ATOM 0 HB2 GLN A 47 6.821 -2.364 17.363 1.00 4.14 H new ATOM 0 HB3 GLN A 47 6.714 -2.738 15.655 1.00 4.14 H new ATOM 0 HG2 GLN A 47 9.162 -2.219 15.415 1.00 50.11 H new ATOM 0 HG3 GLN A 47 9.250 -1.922 17.140 1.00 50.11 H new ATOM 0 HE21 GLN A 47 10.663 -3.924 15.443 1.00 64.04 H new ATOM 0 HE22 GLN A 47 10.296 -5.497 16.160 1.00 64.04 H new ATOM 732 N ASP A 48 8.617 0.907 17.032 1.00 52.11 N ATOM 733 CA ASP A 48 9.282 1.711 18.063 1.00 12.42 C ATOM 734 C ASP A 48 8.586 3.075 18.277 1.00 5.50 C ATOM 735 O ASP A 48 8.437 3.529 19.416 1.00 14.34 O ATOM 736 CB ASP A 48 10.771 1.903 17.690 1.00 23.33 C ATOM 737 CG ASP A 48 11.577 2.653 18.768 1.00 1.11 C ATOM 738 OD1 ASP A 48 11.873 2.048 19.819 1.00 53.15 O ATOM 739 OD2 ASP A 48 11.898 3.847 18.578 1.00 44.44 O ATOM 0 H ASP A 48 9.118 0.885 16.144 1.00 52.11 H new ATOM 0 HA ASP A 48 9.213 1.173 19.009 1.00 12.42 H new ATOM 0 HB2 ASP A 48 11.225 0.927 17.520 1.00 23.33 H new ATOM 0 HB3 ASP A 48 10.835 2.452 16.750 1.00 23.33 H new ATOM 744 N SER A 49 8.149 3.715 17.173 1.00 43.31 N ATOM 745 CA SER A 49 7.577 5.090 17.200 1.00 74.21 C ATOM 746 C SER A 49 6.476 5.265 16.136 1.00 54.21 C ATOM 747 O SER A 49 6.300 4.405 15.275 1.00 60.05 O ATOM 748 CB SER A 49 8.699 6.135 16.977 1.00 51.53 C ATOM 749 OG SER A 49 9.749 5.999 17.921 1.00 53.32 O ATOM 0 H SER A 49 8.179 3.302 16.241 1.00 43.31 H new ATOM 0 HA SER A 49 7.125 5.245 18.179 1.00 74.21 H new ATOM 0 HB2 SER A 49 9.101 6.026 15.970 1.00 51.53 H new ATOM 0 HB3 SER A 49 8.278 7.138 17.045 1.00 51.53 H new ATOM 0 HG SER A 49 10.222 5.155 17.765 1.00 53.32 H new ATOM 755 N ASP A 50 5.757 6.411 16.195 1.00 62.52 N ATOM 756 CA ASP A 50 4.641 6.734 15.274 1.00 23.14 C ATOM 757 C ASP A 50 5.162 7.084 13.867 1.00 34.13 C ATOM 758 O ASP A 50 5.318 8.258 13.519 1.00 53.43 O ATOM 759 CB ASP A 50 3.771 7.899 15.837 1.00 54.33 C ATOM 760 CG ASP A 50 3.080 7.534 17.153 1.00 21.42 C ATOM 761 OD1 ASP A 50 2.052 6.819 17.110 1.00 15.32 O ATOM 762 OD2 ASP A 50 3.560 7.951 18.233 1.00 2.22 O ATOM 0 H ASP A 50 5.935 7.140 16.885 1.00 62.52 H new ATOM 0 HA ASP A 50 4.015 5.845 15.193 1.00 23.14 H new ATOM 0 HB2 ASP A 50 4.400 8.775 15.992 1.00 54.33 H new ATOM 0 HB3 ASP A 50 3.017 8.174 15.099 1.00 54.33 H new ATOM 767 N LYS A 51 5.490 6.032 13.102 1.00 3.02 N ATOM 768 CA LYS A 51 5.886 6.122 11.691 1.00 75.12 C ATOM 769 C LYS A 51 5.841 4.723 11.045 1.00 73.51 C ATOM 770 O LYS A 51 5.812 3.700 11.741 1.00 64.12 O ATOM 771 CB LYS A 51 7.284 6.790 11.510 1.00 44.21 C ATOM 772 CG LYS A 51 8.415 6.212 12.383 1.00 64.54 C ATOM 773 CD LYS A 51 9.797 6.806 12.026 1.00 41.32 C ATOM 774 CE LYS A 51 10.889 6.413 13.029 1.00 54.22 C ATOM 775 NZ LYS A 51 10.653 7.005 14.373 1.00 10.21 N ATOM 0 H LYS A 51 5.487 5.075 13.456 1.00 3.02 H new ATOM 0 HA LYS A 51 5.172 6.769 11.182 1.00 75.12 H new ATOM 0 HB2 LYS A 51 7.576 6.703 10.463 1.00 44.21 H new ATOM 0 HB3 LYS A 51 7.189 7.854 11.727 1.00 44.21 H new ATOM 0 HG2 LYS A 51 8.198 6.410 13.433 1.00 64.54 H new ATOM 0 HG3 LYS A 51 8.446 5.129 12.263 1.00 64.54 H new ATOM 0 HD2 LYS A 51 10.086 6.469 11.030 1.00 41.32 H new ATOM 0 HD3 LYS A 51 9.721 7.893 11.985 1.00 41.32 H new ATOM 0 HE2 LYS A 51 10.929 5.327 13.114 1.00 54.22 H new ATOM 0 HE3 LYS A 51 11.859 6.740 12.655 1.00 54.22 H new ATOM 0 HZ1 LYS A 51 10.791 6.276 15.102 1.00 10.21 H new ATOM 0 HZ2 LYS A 51 11.323 7.785 14.531 1.00 10.21 H new ATOM 0 HZ3 LYS A 51 9.680 7.369 14.426 1.00 10.21 H new ATOM 789 N SER A 52 5.854 4.696 9.709 1.00 2.21 N ATOM 790 CA SER A 52 5.740 3.476 8.915 1.00 21.32 C ATOM 791 C SER A 52 6.368 3.749 7.540 1.00 44.02 C ATOM 792 O SER A 52 6.096 4.790 6.938 1.00 65.11 O ATOM 793 CB SER A 52 4.254 3.066 8.765 1.00 64.32 C ATOM 794 OG SER A 52 4.135 1.831 8.085 1.00 72.55 O ATOM 0 H SER A 52 5.946 5.539 9.142 1.00 2.21 H new ATOM 0 HA SER A 52 6.259 2.654 9.407 1.00 21.32 H new ATOM 0 HB2 SER A 52 3.793 2.989 9.750 1.00 64.32 H new ATOM 0 HB3 SER A 52 3.713 3.839 8.220 1.00 64.32 H new ATOM 0 HG SER A 52 3.285 1.806 7.598 1.00 72.55 H new ATOM 800 N HIS A 53 7.231 2.839 7.059 1.00 33.21 N ATOM 801 CA HIS A 53 7.936 3.009 5.774 1.00 50.11 C ATOM 802 C HIS A 53 7.149 2.310 4.662 1.00 25.33 C ATOM 803 O HIS A 53 7.015 1.085 4.677 1.00 32.31 O ATOM 804 CB HIS A 53 9.371 2.428 5.850 1.00 31.32 C ATOM 805 CG HIS A 53 10.314 3.162 6.770 1.00 51.04 C ATOM 806 ND1 HIS A 53 11.671 3.238 6.549 1.00 21.52 N ATOM 807 CD2 HIS A 53 10.091 3.861 7.904 1.00 70.11 C ATOM 808 CE1 HIS A 53 12.234 3.938 7.509 1.00 31.05 C ATOM 809 NE2 HIS A 53 11.298 4.326 8.338 1.00 60.43 N ATOM 0 H HIS A 53 7.460 1.971 7.544 1.00 33.21 H new ATOM 0 HA HIS A 53 8.010 4.074 5.556 1.00 50.11 H new ATOM 0 HB2 HIS A 53 9.308 1.389 6.174 1.00 31.32 H new ATOM 0 HB3 HIS A 53 9.798 2.424 4.847 1.00 31.32 H new ATOM 0 HD2 HIS A 53 9.135 4.022 8.379 1.00 70.11 H new ATOM 0 HE1 HIS A 53 13.288 4.156 7.598 1.00 31.05 H new ATOM 0 HE2 HIS A 53 11.448 4.887 9.176 1.00 60.43 H new ATOM 818 N ILE A 54 6.613 3.107 3.729 1.00 44.11 N ATOM 819 CA ILE A 54 5.919 2.622 2.531 1.00 62.40 C ATOM 820 C ILE A 54 6.933 2.602 1.377 1.00 71.25 C ATOM 821 O ILE A 54 7.375 3.654 0.939 1.00 10.34 O ATOM 822 CB ILE A 54 4.656 3.518 2.140 1.00 44.51 C ATOM 823 CG1 ILE A 54 3.489 3.382 3.181 1.00 4.45 C ATOM 824 CG2 ILE A 54 4.126 3.167 0.718 1.00 42.31 C ATOM 825 CD1 ILE A 54 3.791 3.875 4.583 1.00 51.33 C ATOM 0 H ILE A 54 6.651 4.125 3.787 1.00 44.11 H new ATOM 0 HA ILE A 54 5.530 1.624 2.735 1.00 62.40 H new ATOM 0 HB ILE A 54 5.003 4.551 2.146 1.00 44.51 H new ATOM 0 HG12 ILE A 54 2.625 3.929 2.803 1.00 4.45 H new ATOM 0 HG13 ILE A 54 3.201 2.332 3.240 1.00 4.45 H new ATOM 0 HG21 ILE A 54 3.267 3.796 0.485 1.00 42.31 H new ATOM 0 HG22 ILE A 54 4.912 3.340 -0.016 1.00 42.31 H new ATOM 0 HG23 ILE A 54 3.827 2.119 0.689 1.00 42.31 H new ATOM 0 HD11 ILE A 54 2.915 3.732 5.216 1.00 51.33 H new ATOM 0 HD12 ILE A 54 4.630 3.313 4.993 1.00 51.33 H new ATOM 0 HD13 ILE A 54 4.045 4.934 4.549 1.00 51.33 H new ATOM 837 N TRP A 55 7.325 1.401 0.934 1.00 23.34 N ATOM 838 CA TRP A 55 8.133 1.204 -0.271 1.00 52.42 C ATOM 839 C TRP A 55 7.191 1.120 -1.481 1.00 14.22 C ATOM 840 O TRP A 55 6.456 0.144 -1.669 1.00 14.13 O ATOM 841 CB TRP A 55 8.986 -0.074 -0.111 1.00 31.50 C ATOM 842 CG TRP A 55 10.037 0.064 0.970 1.00 74.45 C ATOM 843 CD1 TRP A 55 11.267 0.636 0.842 1.00 21.52 C ATOM 844 CD2 TRP A 55 9.937 -0.344 2.342 1.00 23.22 C ATOM 845 NE1 TRP A 55 11.934 0.588 2.031 1.00 42.52 N ATOM 846 CE2 TRP A 55 11.142 0.002 2.970 1.00 63.25 C ATOM 847 CE3 TRP A 55 8.947 -0.973 3.094 1.00 75.41 C ATOM 848 CZ2 TRP A 55 11.390 -0.258 4.311 1.00 33.45 C ATOM 849 CZ3 TRP A 55 9.185 -1.227 4.427 1.00 22.13 C ATOM 850 CH2 TRP A 55 10.398 -0.868 5.029 1.00 43.42 C ATOM 0 H TRP A 55 7.086 0.531 1.409 1.00 23.34 H new ATOM 0 HA TRP A 55 8.817 2.038 -0.426 1.00 52.42 H new ATOM 0 HB2 TRP A 55 8.334 -0.915 0.125 1.00 31.50 H new ATOM 0 HB3 TRP A 55 9.472 -0.304 -1.059 1.00 31.50 H new ATOM 0 HD1 TRP A 55 11.657 1.065 -0.069 1.00 21.52 H new ATOM 0 HE1 TRP A 55 12.879 0.937 2.191 1.00 42.52 H new ATOM 0 HE3 TRP A 55 8.009 -1.257 2.640 1.00 75.41 H new ATOM 0 HZ2 TRP A 55 12.330 0.011 4.770 1.00 33.45 H new ATOM 0 HZ3 TRP A 55 8.423 -1.712 5.019 1.00 22.13 H new ATOM 0 HH2 TRP A 55 10.553 -1.076 6.077 1.00 43.42 H new ATOM 861 N LEU A 56 7.204 2.193 -2.266 1.00 22.32 N ATOM 862 CA LEU A 56 6.273 2.432 -3.369 1.00 73.30 C ATOM 863 C LEU A 56 6.987 2.076 -4.690 1.00 60.34 C ATOM 864 O LEU A 56 7.891 2.794 -5.122 1.00 64.13 O ATOM 865 CB LEU A 56 5.839 3.939 -3.284 1.00 64.13 C ATOM 866 CG LEU A 56 4.563 4.400 -4.070 1.00 22.22 C ATOM 867 CD1 LEU A 56 4.757 4.353 -5.603 1.00 45.50 C ATOM 868 CD2 LEU A 56 3.306 3.609 -3.624 1.00 15.40 C ATOM 0 H LEU A 56 7.883 2.945 -2.150 1.00 22.32 H new ATOM 0 HA LEU A 56 5.376 1.815 -3.317 1.00 73.30 H new ATOM 0 HB2 LEU A 56 5.684 4.180 -2.232 1.00 64.13 H new ATOM 0 HB3 LEU A 56 6.677 4.544 -3.630 1.00 64.13 H new ATOM 0 HG LEU A 56 4.401 5.447 -3.816 1.00 22.22 H new ATOM 0 HD11 LEU A 56 3.842 4.682 -6.096 1.00 45.50 H new ATOM 0 HD12 LEU A 56 5.579 5.011 -5.886 1.00 45.50 H new ATOM 0 HD13 LEU A 56 4.987 3.333 -5.910 1.00 45.50 H new ATOM 0 HD21 LEU A 56 2.440 3.954 -4.189 1.00 15.40 H new ATOM 0 HD22 LEU A 56 3.460 2.546 -3.809 1.00 15.40 H new ATOM 0 HD23 LEU A 56 3.133 3.770 -2.560 1.00 15.40 H new ATOM 880 N LEU A 57 6.589 0.946 -5.309 1.00 45.51 N ATOM 881 CA LEU A 57 7.214 0.416 -6.537 1.00 50.43 C ATOM 882 C LEU A 57 6.480 0.968 -7.757 1.00 14.02 C ATOM 883 O LEU A 57 5.398 0.462 -8.126 1.00 30.33 O ATOM 884 CB LEU A 57 7.189 -1.141 -6.568 1.00 73.42 C ATOM 885 CG LEU A 57 8.235 -1.894 -5.696 1.00 54.34 C ATOM 886 CD1 LEU A 57 8.244 -1.430 -4.223 1.00 24.11 C ATOM 887 CD2 LEU A 57 8.028 -3.414 -5.801 1.00 35.22 C ATOM 0 H LEU A 57 5.819 0.371 -4.968 1.00 45.51 H new ATOM 0 HA LEU A 57 8.257 0.732 -6.552 1.00 50.43 H new ATOM 0 HB2 LEU A 57 6.196 -1.468 -6.259 1.00 73.42 H new ATOM 0 HB3 LEU A 57 7.322 -1.459 -7.602 1.00 73.42 H new ATOM 0 HG LEU A 57 9.218 -1.643 -6.095 1.00 54.34 H new ATOM 0 HD11 LEU A 57 8.995 -1.993 -3.669 1.00 24.11 H new ATOM 0 HD12 LEU A 57 8.481 -0.367 -4.178 1.00 24.11 H new ATOM 0 HD13 LEU A 57 7.262 -1.602 -3.781 1.00 24.11 H new ATOM 0 HD21 LEU A 57 8.768 -3.925 -5.185 1.00 35.22 H new ATOM 0 HD22 LEU A 57 7.027 -3.670 -5.453 1.00 35.22 H new ATOM 0 HD23 LEU A 57 8.142 -3.726 -6.839 1.00 35.22 H new ATOM 899 N VAL A 58 7.069 2.010 -8.350 1.00 11.53 N ATOM 900 CA VAL A 58 6.594 2.615 -9.612 1.00 64.41 C ATOM 901 C VAL A 58 7.821 2.939 -10.457 1.00 72.31 C ATOM 902 O VAL A 58 8.860 3.263 -9.906 1.00 64.11 O ATOM 903 CB VAL A 58 5.742 3.925 -9.358 1.00 70.31 C ATOM 904 CG1 VAL A 58 6.590 5.083 -8.779 1.00 34.13 C ATOM 905 CG2 VAL A 58 4.967 4.360 -10.632 1.00 1.13 C ATOM 0 H VAL A 58 7.898 2.467 -7.969 1.00 11.53 H new ATOM 0 HA VAL A 58 5.938 1.912 -10.125 1.00 64.41 H new ATOM 0 HB VAL A 58 5.004 3.673 -8.596 1.00 70.31 H new ATOM 0 HG11 VAL A 58 5.956 5.956 -8.624 1.00 34.13 H new ATOM 0 HG12 VAL A 58 7.023 4.776 -7.827 1.00 34.13 H new ATOM 0 HG13 VAL A 58 7.389 5.334 -9.477 1.00 34.13 H new ATOM 0 HG21 VAL A 58 4.394 5.262 -10.419 1.00 1.13 H new ATOM 0 HG22 VAL A 58 5.674 4.561 -11.437 1.00 1.13 H new ATOM 0 HG23 VAL A 58 4.289 3.563 -10.935 1.00 1.13 H new ATOM 915 N ASN A 59 7.725 2.826 -11.780 1.00 41.41 N ATOM 916 CA ASN A 59 8.846 3.194 -12.671 1.00 54.34 C ATOM 917 C ASN A 59 8.894 4.722 -12.852 1.00 45.24 C ATOM 918 O ASN A 59 7.866 5.371 -13.080 1.00 1.35 O ATOM 919 CB ASN A 59 8.805 2.421 -14.020 1.00 41.43 C ATOM 920 CG ASN A 59 7.415 2.225 -14.617 1.00 24.05 C ATOM 921 OD1 ASN A 59 6.485 2.979 -14.353 1.00 62.45 O ATOM 922 ND2 ASN A 59 7.270 1.196 -15.430 1.00 45.42 N ATOM 0 H ASN A 59 6.894 2.487 -12.265 1.00 41.41 H new ATOM 0 HA ASN A 59 9.779 2.889 -12.198 1.00 54.34 H new ATOM 0 HB2 ASN A 59 9.422 2.954 -14.744 1.00 41.43 H new ATOM 0 HB3 ASN A 59 9.261 1.442 -13.873 1.00 41.43 H new ATOM 0 HD21 ASN A 59 6.364 1.009 -15.859 1.00 45.42 H new ATOM 0 HD22 ASN A 59 8.064 0.588 -15.629 1.00 45.42 H new ATOM 929 N ASP A 60 10.117 5.266 -12.700 1.00 74.13 N ATOM 930 CA ASP A 60 10.412 6.710 -12.684 1.00 63.32 C ATOM 931 C ASP A 60 10.020 7.413 -13.999 1.00 3.10 C ATOM 932 O ASP A 60 10.119 6.838 -15.093 1.00 32.42 O ATOM 933 CB ASP A 60 11.924 6.918 -12.370 1.00 74.31 C ATOM 934 CG ASP A 60 12.374 8.394 -12.451 1.00 22.25 C ATOM 935 OD1 ASP A 60 12.023 9.179 -11.546 1.00 41.34 O ATOM 936 OD2 ASP A 60 13.075 8.771 -13.420 1.00 54.34 O ATOM 0 H ASP A 60 10.953 4.693 -12.581 1.00 74.13 H new ATOM 0 HA ASP A 60 9.805 7.169 -11.904 1.00 63.32 H new ATOM 0 HB2 ASP A 60 12.135 6.537 -11.371 1.00 74.31 H new ATOM 0 HB3 ASP A 60 12.516 6.327 -13.069 1.00 74.31 H new ATOM 941 N ASP A 61 9.591 8.669 -13.848 1.00 24.32 N ATOM 942 CA ASP A 61 9.229 9.571 -14.935 1.00 42.04 C ATOM 943 C ASP A 61 9.713 10.985 -14.564 1.00 54.21 C ATOM 944 O ASP A 61 9.877 11.292 -13.375 1.00 1.44 O ATOM 945 CB ASP A 61 7.694 9.526 -15.160 1.00 44.13 C ATOM 946 CG ASP A 61 7.182 10.587 -16.140 1.00 34.53 C ATOM 947 OD1 ASP A 61 7.463 10.484 -17.352 1.00 31.53 O ATOM 948 OD2 ASP A 61 6.518 11.540 -15.698 1.00 42.12 O ATOM 0 H ASP A 61 9.484 9.098 -12.929 1.00 24.32 H new ATOM 0 HA ASP A 61 9.703 9.270 -15.870 1.00 42.04 H new ATOM 0 HB2 ASP A 61 7.419 8.539 -15.531 1.00 44.13 H new ATOM 0 HB3 ASP A 61 7.192 9.657 -14.202 1.00 44.13 H new ATOM 953 N GLN A 62 9.923 11.824 -15.588 1.00 52.13 N ATOM 954 CA GLN A 62 10.387 13.218 -15.429 1.00 52.42 C ATOM 955 C GLN A 62 9.423 14.023 -14.523 1.00 53.30 C ATOM 956 O GLN A 62 9.860 14.741 -13.617 1.00 71.15 O ATOM 957 CB GLN A 62 10.525 13.878 -16.829 1.00 54.43 C ATOM 958 CG GLN A 62 11.453 13.112 -17.803 1.00 63.41 C ATOM 959 CD GLN A 62 11.528 13.708 -19.217 1.00 24.24 C ATOM 960 OE1 GLN A 62 12.564 13.630 -19.886 1.00 44.12 O ATOM 961 NE2 GLN A 62 10.428 14.266 -19.710 1.00 51.11 N ATOM 0 H GLN A 62 9.775 11.556 -16.561 1.00 52.13 H new ATOM 0 HA GLN A 62 11.362 13.217 -14.942 1.00 52.42 H new ATOM 0 HB2 GLN A 62 9.535 13.962 -17.278 1.00 54.43 H new ATOM 0 HB3 GLN A 62 10.905 14.892 -16.704 1.00 54.43 H new ATOM 0 HG2 GLN A 62 12.458 13.084 -17.381 1.00 63.41 H new ATOM 0 HG3 GLN A 62 11.109 12.080 -17.876 1.00 63.41 H new ATOM 0 HE21 GLN A 62 9.584 14.320 -19.140 1.00 51.11 H new ATOM 0 HE22 GLN A 62 10.427 14.641 -20.659 1.00 51.11 H new ATOM 970 N ARG A 63 8.110 13.848 -14.758 1.00 63.02 N ATOM 971 CA ARG A 63 7.050 14.541 -13.994 1.00 55.54 C ATOM 972 C ARG A 63 6.767 13.820 -12.663 1.00 31.34 C ATOM 973 O ARG A 63 6.299 14.446 -11.711 1.00 60.33 O ATOM 974 CB ARG A 63 5.742 14.701 -14.822 1.00 63.24 C ATOM 975 CG ARG A 63 4.661 15.555 -14.104 1.00 64.10 C ATOM 976 CD ARG A 63 3.411 15.835 -14.951 1.00 43.31 C ATOM 977 NE ARG A 63 3.695 16.718 -16.090 1.00 62.22 N ATOM 978 CZ ARG A 63 3.415 18.031 -16.149 1.00 14.04 C ATOM 979 NH1 ARG A 63 2.835 18.663 -15.126 1.00 41.15 N ATOM 980 NH2 ARG A 63 3.722 18.708 -17.246 1.00 50.14 N ATOM 0 H ARG A 63 7.752 13.224 -15.481 1.00 63.02 H new ATOM 0 HA ARG A 63 7.419 15.542 -13.773 1.00 55.54 H new ATOM 0 HB2 ARG A 63 5.981 15.161 -15.781 1.00 63.24 H new ATOM 0 HB3 ARG A 63 5.332 13.714 -15.036 1.00 63.24 H new ATOM 0 HG2 ARG A 63 4.359 15.044 -13.190 1.00 64.10 H new ATOM 0 HG3 ARG A 63 5.104 16.505 -13.806 1.00 64.10 H new ATOM 0 HD2 ARG A 63 3.005 14.892 -15.318 1.00 43.31 H new ATOM 0 HD3 ARG A 63 2.644 16.290 -14.324 1.00 43.31 H new ATOM 0 HE ARG A 63 4.143 16.299 -16.905 1.00 62.22 H new ATOM 0 HH11 ARG A 63 2.596 18.149 -14.278 1.00 41.15 H new ATOM 0 HH12 ARG A 63 2.631 19.660 -15.192 1.00 41.15 H new ATOM 0 HH21 ARG A 63 4.165 18.232 -18.032 1.00 50.14 H new ATOM 0 HH22 ARG A 63 3.515 19.705 -17.305 1.00 50.14 H new ATOM 994 N LEU A 64 7.022 12.488 -12.611 1.00 3.23 N ATOM 995 CA LEU A 64 6.845 11.683 -11.375 1.00 13.14 C ATOM 996 C LEU A 64 7.629 12.310 -10.199 1.00 4.34 C ATOM 997 O LEU A 64 7.125 12.388 -9.084 1.00 64.15 O ATOM 998 CB LEU A 64 7.324 10.225 -11.572 1.00 52.34 C ATOM 999 CG LEU A 64 6.979 9.227 -10.406 1.00 72.12 C ATOM 1000 CD1 LEU A 64 5.603 8.566 -10.602 1.00 74.13 C ATOM 1001 CD2 LEU A 64 8.068 8.163 -10.217 1.00 0.33 C ATOM 0 H LEU A 64 7.351 11.948 -13.411 1.00 3.23 H new ATOM 0 HA LEU A 64 5.779 11.677 -11.149 1.00 13.14 H new ATOM 0 HB2 LEU A 64 6.888 9.841 -12.494 1.00 52.34 H new ATOM 0 HB3 LEU A 64 8.405 10.233 -11.710 1.00 52.34 H new ATOM 0 HG LEU A 64 6.936 9.824 -9.495 1.00 72.12 H new ATOM 0 HD11 LEU A 64 5.405 7.885 -9.774 1.00 74.13 H new ATOM 0 HD12 LEU A 64 4.831 9.335 -10.632 1.00 74.13 H new ATOM 0 HD13 LEU A 64 5.597 8.010 -11.539 1.00 74.13 H new ATOM 0 HD21 LEU A 64 7.788 7.496 -9.402 1.00 0.33 H new ATOM 0 HD22 LEU A 64 8.177 7.587 -11.136 1.00 0.33 H new ATOM 0 HD23 LEU A 64 9.014 8.649 -9.979 1.00 0.33 H new ATOM 1013 N GLU A 65 8.845 12.799 -10.515 1.00 24.13 N ATOM 1014 CA GLU A 65 9.749 13.467 -9.555 1.00 2.24 C ATOM 1015 C GLU A 65 9.137 14.763 -8.988 1.00 32.30 C ATOM 1016 O GLU A 65 9.395 15.121 -7.840 1.00 13.42 O ATOM 1017 CB GLU A 65 11.102 13.768 -10.237 1.00 54.21 C ATOM 1018 CG GLU A 65 11.785 12.527 -10.831 1.00 33.34 C ATOM 1019 CD GLU A 65 13.146 12.843 -11.443 1.00 33.12 C ATOM 1020 OE1 GLU A 65 13.202 13.203 -12.637 1.00 41.32 O ATOM 1021 OE2 GLU A 65 14.169 12.765 -10.719 1.00 1.41 O ATOM 0 H GLU A 65 9.233 12.741 -11.457 1.00 24.13 H new ATOM 0 HA GLU A 65 9.903 12.789 -8.715 1.00 2.24 H new ATOM 0 HB2 GLU A 65 10.944 14.499 -11.030 1.00 54.21 H new ATOM 0 HB3 GLU A 65 11.771 14.227 -9.509 1.00 54.21 H new ATOM 0 HG2 GLU A 65 11.907 11.776 -10.051 1.00 33.34 H new ATOM 0 HG3 GLU A 65 11.140 12.092 -11.594 1.00 33.34 H new ATOM 1028 N GLN A 66 8.322 15.440 -9.812 1.00 1.04 N ATOM 1029 CA GLN A 66 7.572 16.650 -9.408 1.00 12.34 C ATOM 1030 C GLN A 66 6.458 16.281 -8.405 1.00 3.22 C ATOM 1031 O GLN A 66 6.176 17.033 -7.467 1.00 45.24 O ATOM 1032 CB GLN A 66 6.970 17.338 -10.661 1.00 21.54 C ATOM 1033 CG GLN A 66 6.274 18.689 -10.396 1.00 44.52 C ATOM 1034 CD GLN A 66 5.571 19.292 -11.622 1.00 72.30 C ATOM 1035 OE1 GLN A 66 4.566 19.991 -11.484 1.00 50.52 O ATOM 1036 NE2 GLN A 66 6.085 19.048 -12.826 1.00 74.41 N ATOM 0 H GLN A 66 8.161 15.166 -10.781 1.00 1.04 H new ATOM 0 HA GLN A 66 8.255 17.345 -8.919 1.00 12.34 H new ATOM 0 HB2 GLN A 66 7.767 17.494 -11.388 1.00 21.54 H new ATOM 0 HB3 GLN A 66 6.250 16.659 -11.118 1.00 21.54 H new ATOM 0 HG2 GLN A 66 5.541 18.556 -9.601 1.00 44.52 H new ATOM 0 HG3 GLN A 66 7.015 19.400 -10.031 1.00 44.52 H new ATOM 0 HE21 GLN A 66 6.918 18.466 -12.917 1.00 74.41 H new ATOM 0 HE22 GLN A 66 5.646 19.443 -13.658 1.00 74.41 H new ATOM 1045 N MET A 67 5.851 15.096 -8.613 1.00 2.40 N ATOM 1046 CA MET A 67 4.803 14.552 -7.717 1.00 45.51 C ATOM 1047 C MET A 67 5.432 14.100 -6.383 1.00 41.35 C ATOM 1048 O MET A 67 4.801 14.185 -5.331 1.00 65.34 O ATOM 1049 CB MET A 67 4.060 13.365 -8.394 1.00 70.42 C ATOM 1050 CG MET A 67 3.654 13.627 -9.851 1.00 0.02 C ATOM 1051 SD MET A 67 2.694 15.145 -10.060 1.00 11.14 S ATOM 1052 CE MET A 67 1.147 14.712 -9.273 1.00 4.30 C ATOM 0 H MET A 67 6.070 14.489 -9.403 1.00 2.40 H new ATOM 0 HA MET A 67 4.076 15.339 -7.517 1.00 45.51 H new ATOM 0 HB2 MET A 67 4.700 12.483 -8.360 1.00 70.42 H new ATOM 0 HB3 MET A 67 3.166 13.133 -7.815 1.00 70.42 H new ATOM 0 HG2 MET A 67 4.551 13.684 -10.467 1.00 0.02 H new ATOM 0 HG3 MET A 67 3.070 12.782 -10.216 1.00 0.02 H new ATOM 0 HE1 MET A 67 0.321 14.923 -9.953 1.00 4.30 H new ATOM 0 HE2 MET A 67 1.150 13.651 -9.024 1.00 4.30 H new ATOM 0 HE3 MET A 67 1.026 15.298 -8.362 1.00 4.30 H new ATOM 1062 N ILE A 68 6.695 13.626 -6.472 1.00 11.21 N ATOM 1063 CA ILE A 68 7.534 13.248 -5.315 1.00 33.21 C ATOM 1064 C ILE A 68 7.936 14.517 -4.512 1.00 50.52 C ATOM 1065 O ILE A 68 7.971 14.508 -3.270 1.00 34.22 O ATOM 1066 CB ILE A 68 8.818 12.447 -5.795 1.00 22.24 C ATOM 1067 CG1 ILE A 68 8.415 11.107 -6.502 1.00 35.35 C ATOM 1068 CG2 ILE A 68 9.798 12.170 -4.631 1.00 40.10 C ATOM 1069 CD1 ILE A 68 9.569 10.355 -7.164 1.00 24.43 C ATOM 0 H ILE A 68 7.167 13.493 -7.366 1.00 11.21 H new ATOM 0 HA ILE A 68 6.958 12.594 -4.660 1.00 33.21 H new ATOM 0 HB ILE A 68 9.335 13.080 -6.517 1.00 22.24 H new ATOM 0 HG12 ILE A 68 7.948 10.452 -5.767 1.00 35.35 H new ATOM 0 HG13 ILE A 68 7.661 11.325 -7.259 1.00 35.35 H new ATOM 0 HG21 ILE A 68 10.661 11.620 -5.005 1.00 40.10 H new ATOM 0 HG22 ILE A 68 10.129 13.115 -4.201 1.00 40.10 H new ATOM 0 HG23 ILE A 68 9.296 11.579 -3.865 1.00 40.10 H new ATOM 0 HD11 ILE A 68 9.191 9.443 -7.626 1.00 24.43 H new ATOM 0 HD12 ILE A 68 10.024 10.986 -7.927 1.00 24.43 H new ATOM 0 HD13 ILE A 68 10.315 10.099 -6.412 1.00 24.43 H new ATOM 1081 N SER A 69 8.198 15.619 -5.242 1.00 45.20 N ATOM 1082 CA SER A 69 8.525 16.924 -4.638 1.00 53.10 C ATOM 1083 C SER A 69 7.299 17.505 -3.907 1.00 62.10 C ATOM 1084 O SER A 69 7.434 18.092 -2.832 1.00 13.21 O ATOM 1085 CB SER A 69 9.022 17.908 -5.723 1.00 13.43 C ATOM 1086 OG SER A 69 10.183 17.411 -6.373 1.00 54.13 O ATOM 0 H SER A 69 8.189 15.629 -6.262 1.00 45.20 H new ATOM 0 HA SER A 69 9.322 16.777 -3.909 1.00 53.10 H new ATOM 0 HB2 SER A 69 8.233 18.073 -6.457 1.00 13.43 H new ATOM 0 HB3 SER A 69 9.242 18.874 -5.269 1.00 13.43 H new ATOM 0 HG SER A 69 9.948 16.622 -6.905 1.00 54.13 H new ATOM 1092 N GLN A 70 6.102 17.297 -4.501 1.00 65.14 N ATOM 1093 CA GLN A 70 4.829 17.801 -3.959 1.00 73.22 C ATOM 1094 C GLN A 70 4.477 17.033 -2.669 1.00 11.52 C ATOM 1095 O GLN A 70 4.208 17.645 -1.631 1.00 13.41 O ATOM 1096 CB GLN A 70 3.694 17.658 -5.033 1.00 24.21 C ATOM 1097 CG GLN A 70 2.403 18.494 -4.787 1.00 52.33 C ATOM 1098 CD GLN A 70 1.501 18.040 -3.625 1.00 35.35 C ATOM 1099 OE1 GLN A 70 0.851 18.858 -2.973 1.00 41.34 O ATOM 1100 NE2 GLN A 70 1.416 16.741 -3.372 1.00 14.12 N ATOM 0 H GLN A 70 5.996 16.774 -5.370 1.00 65.14 H new ATOM 0 HA GLN A 70 4.928 18.858 -3.714 1.00 73.22 H new ATOM 0 HB2 GLN A 70 4.104 17.938 -6.003 1.00 24.21 H new ATOM 0 HB3 GLN A 70 3.414 16.607 -5.097 1.00 24.21 H new ATOM 0 HG2 GLN A 70 2.696 19.529 -4.607 1.00 52.33 H new ATOM 0 HG3 GLN A 70 1.811 18.484 -5.702 1.00 52.33 H new ATOM 0 HE21 GLN A 70 1.962 16.078 -3.922 1.00 14.12 H new ATOM 0 HE22 GLN A 70 0.805 16.405 -2.627 1.00 14.12 H new ATOM 1109 N ILE A 71 4.510 15.681 -2.761 1.00 61.35 N ATOM 1110 CA ILE A 71 4.085 14.769 -1.671 1.00 42.25 C ATOM 1111 C ILE A 71 4.962 14.936 -0.410 1.00 72.34 C ATOM 1112 O ILE A 71 4.475 14.802 0.719 1.00 73.35 O ATOM 1113 CB ILE A 71 4.086 13.260 -2.148 1.00 63.42 C ATOM 1114 CG1 ILE A 71 3.334 12.340 -1.140 1.00 23.22 C ATOM 1115 CG2 ILE A 71 5.513 12.733 -2.400 1.00 14.42 C ATOM 1116 CD1 ILE A 71 3.440 10.859 -1.449 1.00 20.25 C ATOM 0 H ILE A 71 4.833 15.191 -3.595 1.00 61.35 H new ATOM 0 HA ILE A 71 3.064 15.045 -1.408 1.00 42.25 H new ATOM 0 HB ILE A 71 3.551 13.234 -3.097 1.00 63.42 H new ATOM 0 HG12 ILE A 71 3.727 12.520 -0.139 1.00 23.22 H new ATOM 0 HG13 ILE A 71 2.281 12.622 -1.124 1.00 23.22 H new ATOM 0 HG21 ILE A 71 5.465 11.694 -2.726 1.00 14.42 H new ATOM 0 HG22 ILE A 71 5.991 13.334 -3.173 1.00 14.42 H new ATOM 0 HG23 ILE A 71 6.093 12.798 -1.479 1.00 14.42 H new ATOM 0 HD11 ILE A 71 2.889 10.291 -0.700 1.00 20.25 H new ATOM 0 HD12 ILE A 71 3.020 10.662 -2.435 1.00 20.25 H new ATOM 0 HD13 ILE A 71 4.488 10.558 -1.435 1.00 20.25 H new ATOM 1128 N ASP A 72 6.251 15.266 -0.642 1.00 32.21 N ATOM 1129 CA ASP A 72 7.238 15.523 0.416 1.00 64.22 C ATOM 1130 C ASP A 72 6.782 16.660 1.362 1.00 2.11 C ATOM 1131 O ASP A 72 7.039 16.620 2.569 1.00 63.13 O ATOM 1132 CB ASP A 72 8.605 15.859 -0.241 1.00 54.34 C ATOM 1133 CG ASP A 72 9.651 16.375 0.759 1.00 1.34 C ATOM 1134 OD1 ASP A 72 10.048 15.612 1.668 1.00 30.41 O ATOM 1135 OD2 ASP A 72 10.087 17.544 0.650 1.00 41.13 O ATOM 0 H ASP A 72 6.635 15.361 -1.582 1.00 32.21 H new ATOM 0 HA ASP A 72 7.338 14.628 1.030 1.00 64.22 H new ATOM 0 HB2 ASP A 72 8.992 14.967 -0.733 1.00 54.34 H new ATOM 0 HB3 ASP A 72 8.453 16.610 -1.016 1.00 54.34 H new ATOM 1140 N LYS A 73 6.077 17.657 0.796 1.00 24.02 N ATOM 1141 CA LYS A 73 5.674 18.879 1.526 1.00 12.32 C ATOM 1142 C LYS A 73 4.422 18.646 2.401 1.00 5.42 C ATOM 1143 O LYS A 73 4.029 19.530 3.172 1.00 54.34 O ATOM 1144 CB LYS A 73 5.440 20.045 0.527 1.00 24.44 C ATOM 1145 CG LYS A 73 6.554 20.224 -0.532 1.00 60.43 C ATOM 1146 CD LYS A 73 7.980 20.320 0.068 1.00 20.14 C ATOM 1147 CE LYS A 73 9.072 20.399 -1.014 1.00 13.03 C ATOM 1148 NZ LYS A 73 10.440 20.296 -0.431 1.00 54.43 N ATOM 0 H LYS A 73 5.770 17.641 -0.177 1.00 24.02 H new ATOM 0 HA LYS A 73 6.488 19.146 2.200 1.00 12.32 H new ATOM 0 HB2 LYS A 73 4.493 19.881 0.013 1.00 24.44 H new ATOM 0 HB3 LYS A 73 5.340 20.973 1.090 1.00 24.44 H new ATOM 0 HG2 LYS A 73 6.519 19.386 -1.228 1.00 60.43 H new ATOM 0 HG3 LYS A 73 6.352 21.126 -1.109 1.00 60.43 H new ATOM 0 HD2 LYS A 73 8.043 21.200 0.708 1.00 20.14 H new ATOM 0 HD3 LYS A 73 8.163 19.452 0.701 1.00 20.14 H new ATOM 0 HE2 LYS A 73 8.925 19.598 -1.738 1.00 13.03 H new ATOM 0 HE3 LYS A 73 8.978 21.340 -1.556 1.00 13.03 H new ATOM 0 HZ1 LYS A 73 11.148 20.387 -1.188 1.00 54.43 H new ATOM 0 HZ2 LYS A 73 10.578 21.055 0.266 1.00 54.43 H new ATOM 0 HZ3 LYS A 73 10.550 19.373 0.036 1.00 54.43 H new ATOM 1162 N LEU A 74 3.788 17.470 2.260 1.00 15.41 N ATOM 1163 CA LEU A 74 2.650 17.054 3.110 1.00 11.34 C ATOM 1164 C LEU A 74 3.180 16.481 4.437 1.00 2.50 C ATOM 1165 O LEU A 74 4.191 15.772 4.449 1.00 72.01 O ATOM 1166 CB LEU A 74 1.740 16.005 2.388 1.00 42.34 C ATOM 1167 CG LEU A 74 0.782 16.545 1.262 1.00 55.41 C ATOM 1168 CD1 LEU A 74 -0.129 17.680 1.788 1.00 33.23 C ATOM 1169 CD2 LEU A 74 1.564 16.993 0.011 1.00 22.42 C ATOM 0 H LEU A 74 4.046 16.779 1.556 1.00 15.41 H new ATOM 0 HA LEU A 74 2.036 17.932 3.310 1.00 11.34 H new ATOM 0 HB2 LEU A 74 2.384 15.243 1.948 1.00 42.34 H new ATOM 0 HB3 LEU A 74 1.130 15.509 3.143 1.00 42.34 H new ATOM 0 HG LEU A 74 0.140 15.716 0.965 1.00 55.41 H new ATOM 0 HD11 LEU A 74 -0.777 18.029 0.984 1.00 33.23 H new ATOM 0 HD12 LEU A 74 -0.740 17.305 2.609 1.00 33.23 H new ATOM 0 HD13 LEU A 74 0.487 18.507 2.142 1.00 33.23 H new ATOM 0 HD21 LEU A 74 0.866 17.359 -0.742 1.00 22.42 H new ATOM 0 HD22 LEU A 74 2.257 17.790 0.281 1.00 22.42 H new ATOM 0 HD23 LEU A 74 2.122 16.148 -0.391 1.00 22.42 H new ATOM 1181 N GLU A 75 2.452 16.773 5.536 1.00 53.20 N ATOM 1182 CA GLU A 75 2.836 16.379 6.919 1.00 23.24 C ATOM 1183 C GLU A 75 2.753 14.853 7.133 1.00 11.44 C ATOM 1184 O GLU A 75 3.220 14.337 8.158 1.00 25.04 O ATOM 1185 CB GLU A 75 1.935 17.109 7.951 1.00 54.44 C ATOM 1186 CG GLU A 75 1.928 18.643 7.822 1.00 4.43 C ATOM 1187 CD GLU A 75 1.011 19.322 8.849 1.00 75.10 C ATOM 1188 OE1 GLU A 75 -0.229 19.259 8.686 1.00 14.43 O ATOM 1189 OE2 GLU A 75 1.520 19.912 9.830 1.00 3.35 O ATOM 0 H GLU A 75 1.575 17.292 5.494 1.00 53.20 H new ATOM 0 HA GLU A 75 3.875 16.675 7.065 1.00 23.24 H new ATOM 0 HB2 GLU A 75 0.914 16.744 7.845 1.00 54.44 H new ATOM 0 HB3 GLU A 75 2.266 16.843 8.955 1.00 54.44 H new ATOM 0 HG2 GLU A 75 2.944 19.018 7.945 1.00 4.43 H new ATOM 0 HG3 GLU A 75 1.606 18.917 6.817 1.00 4.43 H new ATOM 1196 N ASP A 76 2.114 14.158 6.171 1.00 12.04 N ATOM 1197 CA ASP A 76 2.082 12.685 6.104 1.00 11.40 C ATOM 1198 C ASP A 76 3.517 12.153 6.000 1.00 64.45 C ATOM 1199 O ASP A 76 3.971 11.388 6.849 1.00 32.42 O ATOM 1200 CB ASP A 76 1.255 12.215 4.862 1.00 45.41 C ATOM 1201 CG ASP A 76 -0.127 12.879 4.771 1.00 11.21 C ATOM 1202 OD1 ASP A 76 -0.203 14.024 4.281 1.00 74.40 O ATOM 1203 OD2 ASP A 76 -1.138 12.276 5.198 1.00 2.10 O ATOM 0 H ASP A 76 1.601 14.608 5.413 1.00 12.04 H new ATOM 0 HA ASP A 76 1.609 12.297 7.006 1.00 11.40 H new ATOM 0 HB2 ASP A 76 1.817 12.435 3.954 1.00 45.41 H new ATOM 0 HB3 ASP A 76 1.129 11.133 4.905 1.00 45.41 H new ATOM 1208 N VAL A 77 4.233 12.668 4.988 1.00 4.13 N ATOM 1209 CA VAL A 77 5.597 12.259 4.656 1.00 11.32 C ATOM 1210 C VAL A 77 6.605 12.934 5.607 1.00 73.02 C ATOM 1211 O VAL A 77 6.865 14.137 5.515 1.00 34.44 O ATOM 1212 CB VAL A 77 5.917 12.596 3.146 1.00 72.45 C ATOM 1213 CG1 VAL A 77 7.401 12.360 2.785 1.00 51.33 C ATOM 1214 CG2 VAL A 77 4.994 11.789 2.207 1.00 55.03 C ATOM 0 H VAL A 77 3.869 13.393 4.370 1.00 4.13 H new ATOM 0 HA VAL A 77 5.685 11.180 4.785 1.00 11.32 H new ATOM 0 HB VAL A 77 5.725 13.660 3.009 1.00 72.45 H new ATOM 0 HG11 VAL A 77 7.564 12.607 1.736 1.00 51.33 H new ATOM 0 HG12 VAL A 77 8.032 12.992 3.409 1.00 51.33 H new ATOM 0 HG13 VAL A 77 7.655 11.314 2.955 1.00 51.33 H new ATOM 0 HG21 VAL A 77 5.227 12.032 1.170 1.00 55.03 H new ATOM 0 HG22 VAL A 77 5.149 10.723 2.373 1.00 55.03 H new ATOM 0 HG23 VAL A 77 3.954 12.041 2.414 1.00 55.03 H new ATOM 1224 N VAL A 78 7.113 12.140 6.560 1.00 3.24 N ATOM 1225 CA VAL A 78 8.198 12.541 7.480 1.00 21.30 C ATOM 1226 C VAL A 78 9.543 12.529 6.722 1.00 43.12 C ATOM 1227 O VAL A 78 10.361 13.446 6.855 1.00 13.14 O ATOM 1228 CB VAL A 78 8.289 11.574 8.730 1.00 44.12 C ATOM 1229 CG1 VAL A 78 9.246 12.117 9.817 1.00 34.22 C ATOM 1230 CG2 VAL A 78 6.891 11.278 9.318 1.00 72.25 C ATOM 0 H VAL A 78 6.781 11.189 6.719 1.00 3.24 H new ATOM 0 HA VAL A 78 7.979 13.544 7.845 1.00 21.30 H new ATOM 0 HB VAL A 78 8.708 10.634 8.372 1.00 44.12 H new ATOM 0 HG11 VAL A 78 9.277 11.421 10.655 1.00 34.22 H new ATOM 0 HG12 VAL A 78 10.247 12.226 9.399 1.00 34.22 H new ATOM 0 HG13 VAL A 78 8.890 13.087 10.164 1.00 34.22 H new ATOM 0 HG21 VAL A 78 6.990 10.611 10.175 1.00 72.25 H new ATOM 0 HG22 VAL A 78 6.425 12.211 9.636 1.00 72.25 H new ATOM 0 HG23 VAL A 78 6.270 10.803 8.559 1.00 72.25 H new ATOM 1240 N LYS A 79 9.741 11.467 5.911 1.00 44.40 N ATOM 1241 CA LYS A 79 10.939 11.271 5.074 1.00 12.22 C ATOM 1242 C LYS A 79 10.511 10.782 3.690 1.00 51.23 C ATOM 1243 O LYS A 79 9.568 9.987 3.570 1.00 52.12 O ATOM 1244 CB LYS A 79 11.912 10.213 5.676 1.00 52.44 C ATOM 1245 CG LYS A 79 12.533 10.565 7.039 1.00 52.12 C ATOM 1246 CD LYS A 79 13.422 9.417 7.588 1.00 41.11 C ATOM 1247 CE LYS A 79 14.161 9.774 8.885 1.00 4.14 C ATOM 1248 NZ LYS A 79 15.125 10.887 8.703 1.00 73.23 N ATOM 0 H LYS A 79 9.061 10.712 5.820 1.00 44.40 H new ATOM 0 HA LYS A 79 11.457 12.229 5.020 1.00 12.22 H new ATOM 0 HB2 LYS A 79 11.374 9.270 5.777 1.00 52.44 H new ATOM 0 HB3 LYS A 79 12.720 10.045 4.964 1.00 52.44 H new ATOM 0 HG2 LYS A 79 13.131 11.471 6.942 1.00 52.12 H new ATOM 0 HG3 LYS A 79 11.739 10.782 7.754 1.00 52.12 H new ATOM 0 HD2 LYS A 79 12.799 8.540 7.765 1.00 41.11 H new ATOM 0 HD3 LYS A 79 14.153 9.141 6.828 1.00 41.11 H new ATOM 0 HE2 LYS A 79 13.434 10.049 9.649 1.00 4.14 H new ATOM 0 HE3 LYS A 79 14.691 8.895 9.251 1.00 4.14 H new ATOM 0 HZ1 LYS A 79 15.693 10.999 9.567 1.00 73.23 H new ATOM 0 HZ2 LYS A 79 15.753 10.675 7.902 1.00 73.23 H new ATOM 0 HZ3 LYS A 79 14.606 11.768 8.513 1.00 73.23 H new ATOM 1262 N VAL A 80 11.213 11.256 2.661 1.00 74.05 N ATOM 1263 CA VAL A 80 11.118 10.720 1.295 1.00 13.23 C ATOM 1264 C VAL A 80 12.508 10.189 0.901 1.00 51.44 C ATOM 1265 O VAL A 80 13.524 10.881 1.079 1.00 23.13 O ATOM 1266 CB VAL A 80 10.599 11.794 0.257 1.00 51.03 C ATOM 1267 CG1 VAL A 80 11.501 13.047 0.193 1.00 1.44 C ATOM 1268 CG2 VAL A 80 10.412 11.162 -1.144 1.00 34.00 C ATOM 0 H VAL A 80 11.871 12.030 2.749 1.00 74.05 H new ATOM 0 HA VAL A 80 10.382 9.916 1.276 1.00 13.23 H new ATOM 0 HB VAL A 80 9.627 12.134 0.613 1.00 51.03 H new ATOM 0 HG11 VAL A 80 11.097 13.750 -0.536 1.00 1.44 H new ATOM 0 HG12 VAL A 80 11.535 13.521 1.174 1.00 1.44 H new ATOM 0 HG13 VAL A 80 12.508 12.755 -0.105 1.00 1.44 H new ATOM 0 HG21 VAL A 80 10.054 11.920 -1.840 1.00 34.00 H new ATOM 0 HG22 VAL A 80 11.365 10.767 -1.495 1.00 34.00 H new ATOM 0 HG23 VAL A 80 9.684 10.353 -1.084 1.00 34.00 H new ATOM 1278 N GLN A 81 12.562 8.952 0.395 1.00 12.40 N ATOM 1279 CA GLN A 81 13.834 8.302 0.032 1.00 22.21 C ATOM 1280 C GLN A 81 13.648 7.494 -1.258 1.00 1.14 C ATOM 1281 O GLN A 81 12.568 6.956 -1.508 1.00 34.13 O ATOM 1282 CB GLN A 81 14.324 7.419 1.213 1.00 71.13 C ATOM 1283 CG GLN A 81 15.725 6.798 1.029 1.00 42.31 C ATOM 1284 CD GLN A 81 16.213 6.033 2.262 1.00 52.21 C ATOM 1285 OE1 GLN A 81 16.886 6.590 3.134 1.00 1.02 O ATOM 1286 NE2 GLN A 81 15.855 4.763 2.366 1.00 41.22 N ATOM 0 H GLN A 81 11.738 8.376 0.226 1.00 12.40 H new ATOM 0 HA GLN A 81 14.601 9.052 -0.157 1.00 22.21 H new ATOM 0 HB2 GLN A 81 14.328 8.023 2.121 1.00 71.13 H new ATOM 0 HB3 GLN A 81 13.605 6.615 1.368 1.00 71.13 H new ATOM 0 HG2 GLN A 81 15.706 6.122 0.174 1.00 42.31 H new ATOM 0 HG3 GLN A 81 16.438 7.589 0.794 1.00 42.31 H new ATOM 0 HE21 GLN A 81 15.299 4.328 1.630 1.00 41.22 H new ATOM 0 HE22 GLN A 81 16.136 4.219 3.182 1.00 41.22 H new ATOM 1295 N ARG A 82 14.693 7.461 -2.095 1.00 42.14 N ATOM 1296 CA ARG A 82 14.684 6.746 -3.380 1.00 4.23 C ATOM 1297 C ARG A 82 15.658 5.564 -3.297 1.00 22.41 C ATOM 1298 O ARG A 82 16.870 5.729 -3.458 1.00 33.31 O ATOM 1299 CB ARG A 82 15.061 7.701 -4.548 1.00 73.04 C ATOM 1300 CG ARG A 82 14.118 8.913 -4.713 1.00 13.23 C ATOM 1301 CD ARG A 82 14.372 9.686 -6.015 1.00 21.43 C ATOM 1302 NE ARG A 82 14.223 8.815 -7.203 1.00 13.34 N ATOM 1303 CZ ARG A 82 13.876 9.222 -8.434 1.00 65.10 C ATOM 1304 NH1 ARG A 82 13.627 10.502 -8.696 1.00 74.31 N ATOM 1305 NH2 ARG A 82 13.800 8.334 -9.415 1.00 74.34 N ATOM 0 H ARG A 82 15.576 7.933 -1.899 1.00 42.14 H new ATOM 0 HA ARG A 82 13.680 6.371 -3.581 1.00 4.23 H new ATOM 0 HB2 ARG A 82 16.076 8.065 -4.390 1.00 73.04 H new ATOM 0 HB3 ARG A 82 15.068 7.132 -5.478 1.00 73.04 H new ATOM 0 HG2 ARG A 82 13.084 8.569 -4.695 1.00 13.23 H new ATOM 0 HG3 ARG A 82 14.245 9.586 -3.865 1.00 13.23 H new ATOM 0 HD2 ARG A 82 13.675 10.521 -6.085 1.00 21.43 H new ATOM 0 HD3 ARG A 82 15.376 10.110 -5.997 1.00 21.43 H new ATOM 0 HE ARG A 82 14.399 7.819 -7.075 1.00 13.34 H new ATOM 0 HH11 ARG A 82 13.698 11.198 -7.954 1.00 74.31 H new ATOM 0 HH12 ARG A 82 13.365 10.788 -9.639 1.00 74.31 H new ATOM 0 HH21 ARG A 82 14.004 7.352 -9.231 1.00 74.34 H new ATOM 0 HH22 ARG A 82 13.537 8.633 -10.354 1.00 74.34 H new ATOM 1319 N ASN A 83 15.110 4.384 -2.984 1.00 51.24 N ATOM 1320 CA ASN A 83 15.877 3.127 -2.885 1.00 21.53 C ATOM 1321 C ASN A 83 15.909 2.450 -4.265 1.00 45.34 C ATOM 1322 O ASN A 83 14.982 2.632 -5.072 1.00 4.10 O ATOM 1323 CB ASN A 83 15.259 2.162 -1.825 1.00 33.13 C ATOM 1324 CG ASN A 83 15.026 2.798 -0.449 1.00 1.12 C ATOM 1325 OD1 ASN A 83 14.731 3.986 -0.330 1.00 54.54 O ATOM 1326 ND2 ASN A 83 15.169 2.019 0.605 1.00 42.25 N ATOM 0 H ASN A 83 14.115 4.269 -2.790 1.00 51.24 H new ATOM 0 HA ASN A 83 16.891 3.361 -2.561 1.00 21.53 H new ATOM 0 HB2 ASN A 83 14.308 1.786 -2.204 1.00 33.13 H new ATOM 0 HB3 ASN A 83 15.918 1.301 -1.707 1.00 33.13 H new ATOM 0 HD21 ASN A 83 15.035 2.399 1.542 1.00 42.25 H new ATOM 0 HD22 ASN A 83 15.414 1.036 0.483 1.00 42.25 H new ATOM 1333 N GLN A 84 16.972 1.673 -4.531 1.00 60.32 N ATOM 1334 CA GLN A 84 17.160 0.978 -5.825 1.00 11.13 C ATOM 1335 C GLN A 84 16.450 -0.381 -5.771 1.00 20.43 C ATOM 1336 O GLN A 84 16.408 -1.021 -4.710 1.00 32.02 O ATOM 1337 CB GLN A 84 18.672 0.797 -6.128 1.00 52.54 C ATOM 1338 CG GLN A 84 19.486 2.096 -6.014 1.00 65.31 C ATOM 1339 CD GLN A 84 20.963 1.916 -6.370 1.00 52.21 C ATOM 1340 OE1 GLN A 84 21.785 1.588 -5.515 1.00 13.24 O ATOM 1341 NE2 GLN A 84 21.317 2.157 -7.628 1.00 54.41 N ATOM 0 H GLN A 84 17.724 1.507 -3.862 1.00 60.32 H new ATOM 0 HA GLN A 84 16.728 1.577 -6.627 1.00 11.13 H new ATOM 0 HB2 GLN A 84 19.085 0.059 -5.441 1.00 52.54 H new ATOM 0 HB3 GLN A 84 18.786 0.395 -7.135 1.00 52.54 H new ATOM 0 HG2 GLN A 84 19.050 2.849 -6.671 1.00 65.31 H new ATOM 0 HG3 GLN A 84 19.408 2.477 -4.996 1.00 65.31 H new ATOM 0 HE21 GLN A 84 20.612 2.427 -8.313 1.00 54.41 H new ATOM 0 HE22 GLN A 84 22.294 2.072 -7.908 1.00 54.41 H new ATOM 1350 N SER A 85 15.888 -0.799 -6.919 1.00 52.30 N ATOM 1351 CA SER A 85 15.010 -1.976 -7.000 1.00 72.32 C ATOM 1352 C SER A 85 15.792 -3.287 -6.912 1.00 52.33 C ATOM 1353 O SER A 85 16.201 -3.872 -7.923 1.00 11.33 O ATOM 1354 CB SER A 85 14.127 -1.910 -8.258 1.00 41.54 C ATOM 1355 OG SER A 85 13.169 -2.962 -8.292 1.00 23.35 O ATOM 0 H SER A 85 16.030 -0.331 -7.814 1.00 52.30 H new ATOM 0 HA SER A 85 14.352 -1.959 -6.131 1.00 72.32 H new ATOM 0 HB2 SER A 85 13.612 -0.950 -8.290 1.00 41.54 H new ATOM 0 HB3 SER A 85 14.757 -1.964 -9.146 1.00 41.54 H new ATOM 0 HG SER A 85 12.917 -3.145 -9.221 1.00 23.35 H new ATOM 1361 N ASP A 86 16.016 -3.701 -5.658 1.00 54.25 N ATOM 1362 CA ASP A 86 16.632 -4.971 -5.303 1.00 53.03 C ATOM 1363 C ASP A 86 15.529 -6.058 -5.250 1.00 73.30 C ATOM 1364 O ASP A 86 14.484 -5.827 -4.638 1.00 51.14 O ATOM 1365 CB ASP A 86 17.357 -4.789 -3.941 1.00 64.23 C ATOM 1366 CG ASP A 86 18.015 -6.058 -3.391 1.00 40.24 C ATOM 1367 OD1 ASP A 86 18.882 -6.641 -4.074 1.00 24.25 O ATOM 1368 OD2 ASP A 86 17.714 -6.453 -2.246 1.00 23.24 O ATOM 0 H ASP A 86 15.764 -3.140 -4.844 1.00 54.25 H new ATOM 0 HA ASP A 86 17.370 -5.289 -6.039 1.00 53.03 H new ATOM 0 HB2 ASP A 86 18.121 -4.019 -4.051 1.00 64.23 H new ATOM 0 HB3 ASP A 86 16.638 -4.422 -3.208 1.00 64.23 H new ATOM 1373 N PRO A 87 15.717 -7.237 -5.926 1.00 32.23 N ATOM 1374 CA PRO A 87 14.700 -8.334 -5.933 1.00 13.32 C ATOM 1375 C PRO A 87 14.412 -8.899 -4.520 1.00 12.20 C ATOM 1376 O PRO A 87 13.280 -9.277 -4.199 1.00 20.45 O ATOM 1377 CB PRO A 87 15.352 -9.404 -6.857 1.00 13.21 C ATOM 1378 CG PRO A 87 16.821 -9.094 -6.825 1.00 33.35 C ATOM 1379 CD PRO A 87 16.900 -7.592 -6.758 1.00 3.11 C ATOM 0 HA PRO A 87 13.724 -7.993 -6.279 1.00 13.32 H new ATOM 0 HB2 PRO A 87 15.153 -10.413 -6.496 1.00 13.21 H new ATOM 0 HB3 PRO A 87 14.957 -9.345 -7.871 1.00 13.21 H new ATOM 0 HG2 PRO A 87 17.303 -9.554 -5.962 1.00 33.35 H new ATOM 0 HG3 PRO A 87 17.325 -9.477 -7.713 1.00 33.35 H new ATOM 0 HD2 PRO A 87 17.831 -7.256 -6.302 1.00 3.11 H new ATOM 0 HD3 PRO A 87 16.849 -7.140 -7.748 1.00 3.11 H new ATOM 1387 N THR A 88 15.460 -8.924 -3.688 1.00 13.15 N ATOM 1388 CA THR A 88 15.434 -9.458 -2.318 1.00 61.03 C ATOM 1389 C THR A 88 15.119 -8.365 -1.275 1.00 55.10 C ATOM 1390 O THR A 88 15.119 -8.659 -0.076 1.00 41.24 O ATOM 1391 CB THR A 88 16.782 -10.194 -2.002 1.00 42.05 C ATOM 1392 OG1 THR A 88 17.898 -9.326 -2.257 1.00 44.54 O ATOM 1393 CG2 THR A 88 16.952 -11.471 -2.845 1.00 64.43 C ATOM 0 H THR A 88 16.376 -8.564 -3.955 1.00 13.15 H new ATOM 0 HA THR A 88 14.623 -10.183 -2.253 1.00 61.03 H new ATOM 0 HB THR A 88 16.751 -10.472 -0.948 1.00 42.05 H new ATOM 0 HG1 THR A 88 17.605 -8.392 -2.204 1.00 44.54 H new ATOM 0 HG21 THR A 88 17.899 -11.949 -2.594 1.00 64.43 H new ATOM 0 HG22 THR A 88 16.132 -12.158 -2.635 1.00 64.43 H new ATOM 0 HG23 THR A 88 16.946 -11.212 -3.904 1.00 64.43 H new ATOM 1401 N MET A 89 14.870 -7.110 -1.749 1.00 35.23 N ATOM 1402 CA MET A 89 14.528 -5.945 -0.891 1.00 34.21 C ATOM 1403 C MET A 89 13.399 -6.269 0.106 1.00 53.05 C ATOM 1404 O MET A 89 13.499 -5.921 1.288 1.00 33.44 O ATOM 1405 CB MET A 89 14.119 -4.721 -1.762 1.00 42.21 C ATOM 1406 CG MET A 89 13.777 -3.443 -0.971 1.00 64.40 C ATOM 1407 SD MET A 89 15.138 -2.914 0.093 1.00 61.24 S ATOM 1408 CE MET A 89 14.430 -1.493 0.926 1.00 50.41 C ATOM 0 H MET A 89 14.902 -6.881 -2.742 1.00 35.23 H new ATOM 0 HA MET A 89 15.423 -5.702 -0.319 1.00 34.21 H new ATOM 0 HB2 MET A 89 14.933 -4.497 -2.451 1.00 42.21 H new ATOM 0 HB3 MET A 89 13.256 -4.997 -2.367 1.00 42.21 H new ATOM 0 HG2 MET A 89 13.530 -2.642 -1.668 1.00 64.40 H new ATOM 0 HG3 MET A 89 12.890 -3.621 -0.362 1.00 64.40 H new ATOM 0 HE1 MET A 89 15.164 -1.070 1.612 1.00 50.41 H new ATOM 0 HE2 MET A 89 14.148 -0.742 0.188 1.00 50.41 H new ATOM 0 HE3 MET A 89 13.547 -1.802 1.485 1.00 50.41 H new ATOM 1418 N PHE A 90 12.354 -6.979 -0.389 1.00 34.31 N ATOM 1419 CA PHE A 90 11.168 -7.373 0.414 1.00 52.20 C ATOM 1420 C PHE A 90 11.588 -8.176 1.662 1.00 43.42 C ATOM 1421 O PHE A 90 11.197 -7.858 2.796 1.00 21.21 O ATOM 1422 CB PHE A 90 10.182 -8.230 -0.431 1.00 0.30 C ATOM 1423 CG PHE A 90 9.704 -7.576 -1.731 1.00 0.51 C ATOM 1424 CD1 PHE A 90 8.577 -6.749 -1.746 1.00 24.42 C ATOM 1425 CD2 PHE A 90 10.375 -7.801 -2.940 1.00 40.32 C ATOM 1426 CE1 PHE A 90 8.139 -6.173 -2.924 1.00 60.33 C ATOM 1427 CE2 PHE A 90 9.934 -7.220 -4.113 1.00 42.20 C ATOM 1428 CZ PHE A 90 8.817 -6.410 -4.104 1.00 44.01 C ATOM 0 H PHE A 90 12.310 -7.295 -1.358 1.00 34.31 H new ATOM 0 HA PHE A 90 10.670 -6.455 0.727 1.00 52.20 H new ATOM 0 HB2 PHE A 90 10.664 -9.177 -0.674 1.00 0.30 H new ATOM 0 HB3 PHE A 90 9.311 -8.464 0.182 1.00 0.30 H new ATOM 0 HD1 PHE A 90 8.043 -6.558 -0.827 1.00 24.42 H new ATOM 0 HD2 PHE A 90 11.248 -8.437 -2.955 1.00 40.32 H new ATOM 0 HE1 PHE A 90 7.266 -5.537 -2.922 1.00 60.33 H new ATOM 0 HE2 PHE A 90 10.463 -7.400 -5.037 1.00 42.20 H new ATOM 0 HZ PHE A 90 8.472 -5.960 -5.023 1.00 44.01 H new ATOM 1438 N ASN A 91 12.433 -9.192 1.424 1.00 31.20 N ATOM 1439 CA ASN A 91 12.924 -10.084 2.484 1.00 63.53 C ATOM 1440 C ASN A 91 13.949 -9.355 3.373 1.00 54.41 C ATOM 1441 O ASN A 91 14.011 -9.613 4.574 1.00 42.32 O ATOM 1442 CB ASN A 91 13.562 -11.363 1.880 1.00 44.20 C ATOM 1443 CG ASN A 91 13.857 -12.448 2.931 1.00 62.14 C ATOM 1444 OD1 ASN A 91 13.079 -12.653 3.866 1.00 22.43 O ATOM 1445 ND2 ASN A 91 14.982 -13.137 2.801 1.00 62.24 N ATOM 0 H ASN A 91 12.793 -9.417 0.496 1.00 31.20 H new ATOM 0 HA ASN A 91 12.071 -10.378 3.096 1.00 63.53 H new ATOM 0 HB2 ASN A 91 12.893 -11.772 1.123 1.00 44.20 H new ATOM 0 HB3 ASN A 91 14.489 -11.094 1.374 1.00 44.20 H new ATOM 0 HD21 ASN A 91 15.221 -13.856 3.484 1.00 62.24 H new ATOM 0 HD22 ASN A 91 15.608 -12.948 2.018 1.00 62.24 H new ATOM 1452 N LYS A 92 14.718 -8.421 2.750 1.00 0.21 N ATOM 1453 CA LYS A 92 15.788 -7.636 3.423 1.00 32.25 C ATOM 1454 C LYS A 92 15.280 -6.977 4.715 1.00 52.20 C ATOM 1455 O LYS A 92 15.819 -7.217 5.808 1.00 5.44 O ATOM 1456 CB LYS A 92 16.345 -6.534 2.470 1.00 73.25 C ATOM 1457 CG LYS A 92 17.617 -5.803 2.977 1.00 24.03 C ATOM 1458 CD LYS A 92 17.956 -4.517 2.181 1.00 64.33 C ATOM 1459 CE LYS A 92 18.030 -4.737 0.657 1.00 64.12 C ATOM 1460 NZ LYS A 92 19.009 -5.786 0.269 1.00 62.13 N ATOM 0 H LYS A 92 14.612 -8.191 1.762 1.00 0.21 H new ATOM 0 HA LYS A 92 16.584 -8.335 3.679 1.00 32.25 H new ATOM 0 HB2 LYS A 92 16.567 -6.989 1.505 1.00 73.25 H new ATOM 0 HB3 LYS A 92 15.563 -5.794 2.301 1.00 73.25 H new ATOM 0 HG2 LYS A 92 17.482 -5.545 4.027 1.00 24.03 H new ATOM 0 HG3 LYS A 92 18.464 -6.487 2.923 1.00 24.03 H new ATOM 0 HD2 LYS A 92 17.203 -3.758 2.394 1.00 64.33 H new ATOM 0 HD3 LYS A 92 18.911 -4.125 2.530 1.00 64.33 H new ATOM 0 HE2 LYS A 92 17.043 -5.014 0.287 1.00 64.12 H new ATOM 0 HE3 LYS A 92 18.300 -3.799 0.173 1.00 64.12 H new ATOM 0 HZ1 LYS A 92 18.874 -6.034 -0.732 1.00 62.13 H new ATOM 0 HZ2 LYS A 92 19.975 -5.428 0.409 1.00 62.13 H new ATOM 0 HZ3 LYS A 92 18.864 -6.631 0.858 1.00 62.13 H new ATOM 1474 N ILE A 93 14.230 -6.144 4.572 1.00 10.33 N ATOM 1475 CA ILE A 93 13.667 -5.404 5.716 1.00 40.24 C ATOM 1476 C ILE A 93 12.711 -6.282 6.549 1.00 52.22 C ATOM 1477 O ILE A 93 12.530 -6.025 7.742 1.00 64.30 O ATOM 1478 CB ILE A 93 12.987 -4.036 5.327 1.00 13.52 C ATOM 1479 CG1 ILE A 93 11.591 -4.209 4.649 1.00 42.13 C ATOM 1480 CG2 ILE A 93 13.929 -3.174 4.442 1.00 1.34 C ATOM 1481 CD1 ILE A 93 11.597 -4.706 3.228 1.00 75.04 C ATOM 0 H ILE A 93 13.759 -5.969 3.684 1.00 10.33 H new ATOM 0 HA ILE A 93 14.525 -5.143 6.335 1.00 40.24 H new ATOM 0 HB ILE A 93 12.809 -3.511 6.265 1.00 13.52 H new ATOM 0 HG12 ILE A 93 11.002 -4.901 5.251 1.00 42.13 H new ATOM 0 HG13 ILE A 93 11.077 -3.248 4.673 1.00 42.13 H new ATOM 0 HG21 ILE A 93 13.434 -2.237 4.189 1.00 1.34 H new ATOM 0 HG22 ILE A 93 14.849 -2.963 4.988 1.00 1.34 H new ATOM 0 HG23 ILE A 93 14.167 -3.717 3.527 1.00 1.34 H new ATOM 0 HD11 ILE A 93 10.572 -4.786 2.866 1.00 75.04 H new ATOM 0 HD12 ILE A 93 12.150 -4.007 2.600 1.00 75.04 H new ATOM 0 HD13 ILE A 93 12.073 -5.686 3.187 1.00 75.04 H new ATOM 1493 N ALA A 94 12.076 -7.300 5.907 1.00 4.22 N ATOM 1494 CA ALA A 94 11.169 -8.251 6.602 1.00 24.53 C ATOM 1495 C ALA A 94 11.887 -8.989 7.758 1.00 20.12 C ATOM 1496 O ALA A 94 11.383 -9.030 8.891 1.00 0.10 O ATOM 1497 CB ALA A 94 10.580 -9.255 5.598 1.00 1.24 C ATOM 0 H ALA A 94 12.177 -7.482 4.908 1.00 4.22 H new ATOM 0 HA ALA A 94 10.356 -7.674 7.042 1.00 24.53 H new ATOM 0 HB1 ALA A 94 9.918 -9.946 6.120 1.00 1.24 H new ATOM 0 HB2 ALA A 94 10.016 -8.718 4.835 1.00 1.24 H new ATOM 0 HB3 ALA A 94 11.388 -9.814 5.126 1.00 1.24 H new ATOM 1503 N VAL A 95 13.080 -9.540 7.462 1.00 22.41 N ATOM 1504 CA VAL A 95 13.907 -10.264 8.458 1.00 24.21 C ATOM 1505 C VAL A 95 14.579 -9.291 9.448 1.00 24.13 C ATOM 1506 O VAL A 95 14.990 -9.692 10.542 1.00 4.12 O ATOM 1507 CB VAL A 95 15.000 -11.172 7.772 1.00 35.21 C ATOM 1508 CG1 VAL A 95 14.347 -12.246 6.881 1.00 5.41 C ATOM 1509 CG2 VAL A 95 16.027 -10.338 6.972 1.00 55.14 C ATOM 0 H VAL A 95 13.499 -9.499 6.533 1.00 22.41 H new ATOM 0 HA VAL A 95 13.227 -10.912 9.011 1.00 24.21 H new ATOM 0 HB VAL A 95 15.546 -11.676 8.570 1.00 35.21 H new ATOM 0 HG11 VAL A 95 15.123 -12.858 6.420 1.00 5.41 H new ATOM 0 HG12 VAL A 95 13.699 -12.878 7.488 1.00 5.41 H new ATOM 0 HG13 VAL A 95 13.756 -11.763 6.103 1.00 5.41 H new ATOM 0 HG21 VAL A 95 16.761 -11.003 6.517 1.00 55.14 H new ATOM 0 HG22 VAL A 95 15.512 -9.778 6.192 1.00 55.14 H new ATOM 0 HG23 VAL A 95 16.534 -9.644 7.643 1.00 55.14 H new ATOM 1519 N PHE A 96 14.693 -8.013 9.038 1.00 23.42 N ATOM 1520 CA PHE A 96 15.254 -6.937 9.877 1.00 55.43 C ATOM 1521 C PHE A 96 14.223 -6.474 10.929 1.00 54.25 C ATOM 1522 O PHE A 96 14.592 -6.081 12.044 1.00 30.42 O ATOM 1523 CB PHE A 96 15.709 -5.748 8.986 1.00 14.42 C ATOM 1524 CG PHE A 96 16.307 -4.565 9.758 1.00 51.15 C ATOM 1525 CD1 PHE A 96 17.567 -4.667 10.343 1.00 1.24 C ATOM 1526 CD2 PHE A 96 15.605 -3.362 9.913 1.00 42.53 C ATOM 1527 CE1 PHE A 96 18.108 -3.616 11.061 1.00 64.33 C ATOM 1528 CE2 PHE A 96 16.151 -2.309 10.628 1.00 65.33 C ATOM 1529 CZ PHE A 96 17.401 -2.439 11.200 1.00 3.21 C ATOM 0 H PHE A 96 14.398 -7.697 8.114 1.00 23.42 H new ATOM 0 HA PHE A 96 16.124 -7.324 10.408 1.00 55.43 H new ATOM 0 HB2 PHE A 96 16.448 -6.109 8.271 1.00 14.42 H new ATOM 0 HB3 PHE A 96 14.854 -5.394 8.410 1.00 14.42 H new ATOM 0 HD1 PHE A 96 18.131 -5.582 10.234 1.00 1.24 H new ATOM 0 HD2 PHE A 96 14.626 -3.255 9.469 1.00 42.53 H new ATOM 0 HE1 PHE A 96 19.084 -3.716 11.513 1.00 64.33 H new ATOM 0 HE2 PHE A 96 15.600 -1.387 10.738 1.00 65.33 H new ATOM 0 HZ PHE A 96 17.826 -1.618 11.757 1.00 3.21 H new ATOM 1539 N PHE A 97 12.936 -6.529 10.550 1.00 25.51 N ATOM 1540 CA PHE A 97 11.816 -6.131 11.420 1.00 72.05 C ATOM 1541 C PHE A 97 11.651 -7.126 12.579 1.00 15.44 C ATOM 1542 O PHE A 97 11.354 -6.723 13.707 1.00 64.22 O ATOM 1543 CB PHE A 97 10.502 -6.040 10.599 1.00 35.53 C ATOM 1544 CG PHE A 97 9.284 -5.586 11.414 1.00 2.52 C ATOM 1545 CD1 PHE A 97 9.249 -4.314 11.991 1.00 70.34 C ATOM 1546 CD2 PHE A 97 8.190 -6.433 11.623 1.00 42.43 C ATOM 1547 CE1 PHE A 97 8.164 -3.908 12.746 1.00 33.32 C ATOM 1548 CE2 PHE A 97 7.105 -6.019 12.376 1.00 31.05 C ATOM 1549 CZ PHE A 97 7.095 -4.759 12.939 1.00 2.11 C ATOM 0 H PHE A 97 12.641 -6.852 9.628 1.00 25.51 H new ATOM 0 HA PHE A 97 12.037 -5.149 11.838 1.00 72.05 H new ATOM 0 HB2 PHE A 97 10.651 -5.347 9.771 1.00 35.53 H new ATOM 0 HB3 PHE A 97 10.290 -7.016 10.163 1.00 35.53 H new ATOM 0 HD1 PHE A 97 10.080 -3.639 11.846 1.00 70.34 H new ATOM 0 HD2 PHE A 97 8.192 -7.423 11.191 1.00 42.43 H new ATOM 0 HE1 PHE A 97 8.153 -2.922 13.186 1.00 33.32 H new ATOM 0 HE2 PHE A 97 6.266 -6.682 12.523 1.00 31.05 H new ATOM 0 HZ PHE A 97 6.250 -4.439 13.531 1.00 2.11 H new ATOM 1559 N GLN A 98 11.836 -8.417 12.270 1.00 40.24 N ATOM 1560 CA GLN A 98 11.755 -9.494 13.257 1.00 51.22 C ATOM 1561 C GLN A 98 12.982 -9.425 14.203 1.00 60.42 C ATOM 1562 O GLN A 98 12.821 -9.074 15.394 1.00 62.03 O ATOM 1563 CB GLN A 98 11.669 -10.872 12.538 1.00 54.33 C ATOM 1564 CG GLN A 98 11.477 -12.070 13.492 1.00 40.13 C ATOM 1565 CD GLN A 98 11.423 -13.428 12.787 1.00 30.45 C ATOM 1566 OE1 GLN A 98 12.039 -13.628 11.741 1.00 64.20 O ATOM 1567 NE2 GLN A 98 10.692 -14.369 13.360 1.00 60.10 N ATOM 1568 OXT GLN A 98 14.115 -9.668 13.737 1.00 37.71 O ATOM 0 H GLN A 98 12.046 -8.741 11.326 1.00 40.24 H new ATOM 0 HA GLN A 98 10.853 -9.375 13.857 1.00 51.22 H new ATOM 0 HB2 GLN A 98 10.841 -10.849 11.830 1.00 54.33 H new ATOM 0 HB3 GLN A 98 12.580 -11.025 11.959 1.00 54.33 H new ATOM 0 HG2 GLN A 98 12.293 -12.080 14.214 1.00 40.13 H new ATOM 0 HG3 GLN A 98 10.555 -11.928 14.055 1.00 40.13 H new ATOM 0 HE21 GLN A 98 10.194 -14.170 14.227 1.00 60.10 H new ATOM 0 HE22 GLN A 98 10.627 -15.294 12.935 1.00 60.10 H new TER 1577 GLN A 98 ATOM 1578 N GLY B 1 -13.334 0.728 18.534 1.00 51.42 N ATOM 1579 CA GLY B 1 -13.778 -0.685 18.552 1.00 32.31 C ATOM 1580 C GLY B 1 -12.986 -1.534 19.527 1.00 2.13 C ATOM 1581 O GLY B 1 -12.244 -1.004 20.358 1.00 13.22 O ATOM 0 H1 GLY B 1 -14.139 1.342 18.296 1.00 51.42 H new ATOM 0 H2 GLY B 1 -12.965 0.988 19.471 1.00 51.42 H new ATOM 0 H3 GLY B 1 -12.586 0.848 17.822 1.00 51.42 H new ATOM 0 HA2 GLY B 1 -14.835 -0.726 18.816 1.00 32.31 H new ATOM 0 HA3 GLY B 1 -13.683 -1.104 17.550 1.00 32.31 H new ATOM 1587 N SER B 2 -13.144 -2.860 19.409 1.00 51.22 N ATOM 1588 CA SER B 2 -12.477 -3.844 20.270 1.00 71.34 C ATOM 1589 C SER B 2 -11.200 -4.369 19.573 1.00 33.03 C ATOM 1590 O SER B 2 -11.269 -5.285 18.741 1.00 52.33 O ATOM 1591 CB SER B 2 -13.458 -5.004 20.576 1.00 1.34 C ATOM 1592 OG SER B 2 -14.681 -4.519 21.103 1.00 3.12 O ATOM 0 H SER B 2 -13.747 -3.284 18.703 1.00 51.22 H new ATOM 0 HA SER B 2 -12.184 -3.377 21.210 1.00 71.34 H new ATOM 0 HB2 SER B 2 -13.651 -5.570 19.664 1.00 1.34 H new ATOM 0 HB3 SER B 2 -13.001 -5.692 21.287 1.00 1.34 H new ATOM 0 HG SER B 2 -15.281 -5.273 21.285 1.00 3.12 H new ATOM 1598 N MET B 3 -10.048 -3.750 19.884 1.00 45.23 N ATOM 1599 CA MET B 3 -8.734 -4.145 19.316 1.00 14.42 C ATOM 1600 C MET B 3 -7.764 -4.603 20.422 1.00 54.51 C ATOM 1601 O MET B 3 -7.987 -4.374 21.618 1.00 33.21 O ATOM 1602 CB MET B 3 -8.111 -2.987 18.483 1.00 72.42 C ATOM 1603 CG MET B 3 -7.761 -1.712 19.273 1.00 40.32 C ATOM 1604 SD MET B 3 -9.219 -0.877 19.954 1.00 33.35 S ATOM 1605 CE MET B 3 -8.518 0.649 20.582 1.00 50.42 C ATOM 0 H MET B 3 -9.994 -2.965 20.533 1.00 45.23 H new ATOM 0 HA MET B 3 -8.906 -4.988 18.647 1.00 14.42 H new ATOM 0 HB2 MET B 3 -7.204 -3.356 18.003 1.00 72.42 H new ATOM 0 HB3 MET B 3 -8.807 -2.720 17.688 1.00 72.42 H new ATOM 0 HG2 MET B 3 -7.084 -1.970 20.087 1.00 40.32 H new ATOM 0 HG3 MET B 3 -7.226 -1.022 18.620 1.00 40.32 H new ATOM 0 HE1 MET B 3 -9.307 1.256 21.027 1.00 50.42 H new ATOM 0 HE2 MET B 3 -7.766 0.420 21.337 1.00 50.42 H new ATOM 0 HE3 MET B 3 -8.054 1.200 19.764 1.00 50.42 H new ATOM 1615 N GLN B 4 -6.689 -5.263 19.982 1.00 74.12 N ATOM 1616 CA GLN B 4 -5.650 -5.879 20.832 1.00 53.25 C ATOM 1617 C GLN B 4 -4.277 -5.404 20.295 1.00 64.42 C ATOM 1618 O GLN B 4 -4.221 -4.364 19.614 1.00 61.44 O ATOM 1619 CB GLN B 4 -5.806 -7.434 20.773 1.00 34.12 C ATOM 1620 CG GLN B 4 -7.227 -7.955 21.112 1.00 13.05 C ATOM 1621 CD GLN B 4 -7.425 -9.458 20.869 1.00 23.43 C ATOM 1622 OE1 GLN B 4 -6.503 -10.258 21.014 1.00 64.31 O ATOM 1623 NE2 GLN B 4 -8.625 -9.857 20.485 1.00 64.23 N ATOM 0 H GLN B 4 -6.506 -5.391 18.987 1.00 74.12 H new ATOM 0 HA GLN B 4 -5.741 -5.584 21.877 1.00 53.25 H new ATOM 0 HB2 GLN B 4 -5.538 -7.775 19.773 1.00 34.12 H new ATOM 0 HB3 GLN B 4 -5.094 -7.884 21.465 1.00 34.12 H new ATOM 0 HG2 GLN B 4 -7.441 -7.737 22.158 1.00 13.05 H new ATOM 0 HG3 GLN B 4 -7.955 -7.404 20.516 1.00 13.05 H new ATOM 0 HE21 GLN B 4 -9.376 -9.177 20.371 1.00 64.23 H new ATOM 0 HE22 GLN B 4 -8.800 -10.845 20.303 1.00 64.23 H new ATOM 1632 N ASN B 5 -3.177 -6.133 20.611 1.00 21.51 N ATOM 1633 CA ASN B 5 -1.815 -5.771 20.146 1.00 40.21 C ATOM 1634 C ASN B 5 -0.800 -6.938 20.314 1.00 24.04 C ATOM 1635 O ASN B 5 -0.004 -6.958 21.258 1.00 50.42 O ATOM 1636 CB ASN B 5 -1.312 -4.458 20.855 1.00 33.25 C ATOM 1637 CG ASN B 5 -1.347 -4.508 22.397 1.00 54.55 C ATOM 1638 OD1 ASN B 5 -0.357 -4.840 23.051 1.00 23.23 O ATOM 1639 ND2 ASN B 5 -2.489 -4.174 22.987 1.00 41.04 N ATOM 0 H ASN B 5 -3.207 -6.975 21.186 1.00 21.51 H new ATOM 0 HA ASN B 5 -1.881 -5.574 19.076 1.00 40.21 H new ATOM 0 HB2 ASN B 5 -0.290 -4.256 20.534 1.00 33.25 H new ATOM 0 HB3 ASN B 5 -1.924 -3.621 20.518 1.00 33.25 H new ATOM 0 HD21 ASN B 5 -2.561 -4.189 24.004 1.00 41.04 H new ATOM 0 HD22 ASN B 5 -3.294 -3.903 22.423 1.00 41.04 H new ATOM 1646 N THR B 6 -0.844 -7.939 19.399 1.00 35.54 N ATOM 1647 CA THR B 6 0.219 -8.975 19.299 1.00 44.33 C ATOM 1648 C THR B 6 0.560 -9.238 17.812 1.00 24.22 C ATOM 1649 O THR B 6 1.570 -8.732 17.311 1.00 52.32 O ATOM 1650 CB THR B 6 -0.168 -10.327 20.022 1.00 0.11 C ATOM 1651 OG1 THR B 6 -1.438 -10.802 19.537 1.00 64.54 O ATOM 1652 CG2 THR B 6 -0.225 -10.193 21.560 1.00 21.24 C ATOM 0 H THR B 6 -1.599 -8.052 18.723 1.00 35.54 H new ATOM 0 HA THR B 6 1.096 -8.585 19.816 1.00 44.33 H new ATOM 0 HB THR B 6 0.620 -11.042 19.786 1.00 0.11 H new ATOM 0 HG1 THR B 6 -1.668 -11.640 19.989 1.00 64.54 H new ATOM 0 HG21 THR B 6 -0.495 -11.153 21.999 1.00 21.24 H new ATOM 0 HG22 THR B 6 0.751 -9.885 21.935 1.00 21.24 H new ATOM 0 HG23 THR B 6 -0.971 -9.446 21.833 1.00 21.24 H new ATOM 1660 N THR B 7 -0.337 -9.946 17.101 1.00 42.15 N ATOM 1661 CA THR B 7 -0.173 -10.347 15.686 1.00 0.54 C ATOM 1662 C THR B 7 -1.567 -10.643 15.115 1.00 14.20 C ATOM 1663 O THR B 7 -2.088 -9.896 14.292 1.00 33.43 O ATOM 1664 CB THR B 7 0.741 -11.631 15.505 1.00 54.31 C ATOM 1665 OG1 THR B 7 0.384 -12.622 16.489 1.00 20.43 O ATOM 1666 CG2 THR B 7 2.252 -11.325 15.587 1.00 53.33 C ATOM 0 H THR B 7 -1.219 -10.264 17.502 1.00 42.15 H new ATOM 0 HA THR B 7 0.322 -9.530 15.161 1.00 0.54 H new ATOM 0 HB THR B 7 0.558 -12.010 14.499 1.00 54.31 H new ATOM 0 HG1 THR B 7 0.948 -13.415 16.374 1.00 20.43 H new ATOM 0 HG21 THR B 7 2.818 -12.247 15.455 1.00 53.33 H new ATOM 0 HG22 THR B 7 2.523 -10.618 14.803 1.00 53.33 H new ATOM 0 HG23 THR B 7 2.484 -10.894 16.561 1.00 53.33 H new ATOM 1674 N HIS B 8 -2.197 -11.714 15.655 1.00 2.41 N ATOM 1675 CA HIS B 8 -3.490 -12.264 15.166 1.00 75.14 C ATOM 1676 C HIS B 8 -4.669 -11.261 15.307 1.00 10.25 C ATOM 1677 O HIS B 8 -5.761 -11.507 14.777 1.00 22.13 O ATOM 1678 CB HIS B 8 -3.812 -13.587 15.911 1.00 44.34 C ATOM 1679 CG HIS B 8 -4.145 -13.399 17.374 1.00 61.12 C ATOM 1680 ND1 HIS B 8 -5.439 -13.332 17.841 1.00 52.41 N ATOM 1681 CD2 HIS B 8 -3.351 -13.232 18.462 1.00 11.02 C ATOM 1682 CE1 HIS B 8 -5.427 -13.130 19.141 1.00 73.22 C ATOM 1683 NE2 HIS B 8 -4.176 -13.062 19.543 1.00 64.23 N ATOM 0 H HIS B 8 -1.820 -12.228 16.451 1.00 2.41 H new ATOM 0 HA HIS B 8 -3.375 -12.457 14.099 1.00 75.14 H new ATOM 0 HB2 HIS B 8 -4.652 -14.076 15.417 1.00 44.34 H new ATOM 0 HB3 HIS B 8 -2.957 -14.258 15.826 1.00 44.34 H new ATOM 0 HD2 HIS B 8 -2.271 -13.233 18.474 1.00 11.02 H new ATOM 0 HE1 HIS B 8 -6.298 -13.036 19.772 1.00 73.22 H new ATOM 0 HE2 HIS B 8 -3.870 -12.908 20.504 1.00 64.23 H new ATOM 1692 N ASP B 9 -4.430 -10.168 16.056 1.00 25.41 N ATOM 1693 CA ASP B 9 -5.357 -9.028 16.205 1.00 21.40 C ATOM 1694 C ASP B 9 -5.734 -8.433 14.838 1.00 51.12 C ATOM 1695 O ASP B 9 -6.929 -8.307 14.513 1.00 41.50 O ATOM 1696 CB ASP B 9 -4.699 -7.943 17.106 1.00 22.11 C ATOM 1697 CG ASP B 9 -5.471 -6.609 17.118 1.00 41.20 C ATOM 1698 OD1 ASP B 9 -6.687 -6.624 17.412 1.00 33.14 O ATOM 1699 OD2 ASP B 9 -4.865 -5.549 16.853 1.00 13.35 O ATOM 0 H ASP B 9 -3.567 -10.049 16.587 1.00 25.41 H new ATOM 0 HA ASP B 9 -6.275 -9.384 16.673 1.00 21.40 H new ATOM 0 HB2 ASP B 9 -4.627 -8.322 18.125 1.00 22.11 H new ATOM 0 HB3 ASP B 9 -3.681 -7.762 16.761 1.00 22.11 H new ATOM 1704 N ASN B 10 -4.711 -8.088 14.035 1.00 60.33 N ATOM 1705 CA ASN B 10 -4.936 -7.513 12.703 1.00 4.31 C ATOM 1706 C ASN B 10 -5.314 -8.627 11.716 1.00 63.20 C ATOM 1707 O ASN B 10 -4.999 -9.802 11.924 1.00 31.32 O ATOM 1708 CB ASN B 10 -3.718 -6.681 12.195 1.00 2.51 C ATOM 1709 CG ASN B 10 -2.434 -7.485 11.972 1.00 14.43 C ATOM 1710 OD1 ASN B 10 -1.602 -7.609 12.868 1.00 34.22 O ATOM 1711 ND2 ASN B 10 -2.252 -8.026 10.773 1.00 43.33 N ATOM 0 H ASN B 10 -3.728 -8.198 14.286 1.00 60.33 H new ATOM 0 HA ASN B 10 -5.765 -6.809 12.777 1.00 4.31 H new ATOM 0 HB2 ASN B 10 -3.993 -6.197 11.258 1.00 2.51 H new ATOM 0 HB3 ASN B 10 -3.513 -5.889 12.915 1.00 2.51 H new ATOM 0 HD21 ASN B 10 -1.405 -8.560 10.578 1.00 43.33 H new ATOM 0 HD22 ASN B 10 -2.959 -7.907 10.047 1.00 43.33 H new ATOM 1718 N VAL B 11 -6.013 -8.234 10.651 1.00 21.42 N ATOM 1719 CA VAL B 11 -6.498 -9.136 9.607 1.00 44.02 C ATOM 1720 C VAL B 11 -5.767 -8.785 8.315 1.00 75.43 C ATOM 1721 O VAL B 11 -5.530 -7.607 8.027 1.00 54.40 O ATOM 1722 CB VAL B 11 -8.074 -9.077 9.417 1.00 15.52 C ATOM 1723 CG1 VAL B 11 -8.794 -9.661 10.654 1.00 43.24 C ATOM 1724 CG2 VAL B 11 -8.581 -7.638 9.121 1.00 71.03 C ATOM 0 H VAL B 11 -6.263 -7.259 10.487 1.00 21.42 H new ATOM 0 HA VAL B 11 -6.287 -10.164 9.901 1.00 44.02 H new ATOM 0 HB VAL B 11 -8.313 -9.687 8.546 1.00 15.52 H new ATOM 0 HG11 VAL B 11 -9.873 -9.612 10.504 1.00 43.24 H new ATOM 0 HG12 VAL B 11 -8.494 -10.700 10.793 1.00 43.24 H new ATOM 0 HG13 VAL B 11 -8.524 -9.084 11.538 1.00 43.24 H new ATOM 0 HG21 VAL B 11 -9.664 -7.652 8.999 1.00 71.03 H new ATOM 0 HG22 VAL B 11 -8.317 -6.982 9.950 1.00 71.03 H new ATOM 0 HG23 VAL B 11 -8.118 -7.270 8.205 1.00 71.03 H new ATOM 1734 N ILE B 12 -5.359 -9.820 7.582 1.00 14.44 N ATOM 1735 CA ILE B 12 -4.575 -9.687 6.353 1.00 24.42 C ATOM 1736 C ILE B 12 -5.558 -9.765 5.181 1.00 63.24 C ATOM 1737 O ILE B 12 -5.861 -10.846 4.676 1.00 31.45 O ATOM 1738 CB ILE B 12 -3.484 -10.831 6.256 1.00 11.50 C ATOM 1739 CG1 ILE B 12 -2.774 -11.061 7.616 1.00 52.33 C ATOM 1740 CG2 ILE B 12 -2.439 -10.551 5.169 1.00 3.41 C ATOM 1741 CD1 ILE B 12 -1.898 -9.928 8.111 1.00 2.21 C ATOM 0 H ILE B 12 -5.566 -10.788 7.828 1.00 14.44 H new ATOM 0 HA ILE B 12 -4.039 -8.738 6.339 1.00 24.42 H new ATOM 0 HB ILE B 12 -4.023 -11.738 5.981 1.00 11.50 H new ATOM 0 HG12 ILE B 12 -3.535 -11.261 8.371 1.00 52.33 H new ATOM 0 HG13 ILE B 12 -2.161 -11.959 7.535 1.00 52.33 H new ATOM 0 HG21 ILE B 12 -1.714 -11.365 5.143 1.00 3.41 H new ATOM 0 HG22 ILE B 12 -2.933 -10.474 4.200 1.00 3.41 H new ATOM 0 HG23 ILE B 12 -1.926 -9.615 5.390 1.00 3.41 H new ATOM 0 HD11 ILE B 12 -1.455 -10.202 9.068 1.00 2.21 H new ATOM 0 HD12 ILE B 12 -1.106 -9.737 7.386 1.00 2.21 H new ATOM 0 HD13 ILE B 12 -2.502 -9.029 8.235 1.00 2.21 H new ATOM 1753 N LEU B 13 -6.092 -8.612 4.788 1.00 64.52 N ATOM 1754 CA LEU B 13 -7.174 -8.548 3.804 1.00 31.13 C ATOM 1755 C LEU B 13 -6.577 -8.536 2.404 1.00 61.30 C ATOM 1756 O LEU B 13 -6.018 -7.535 1.971 1.00 73.32 O ATOM 1757 CB LEU B 13 -8.045 -7.296 4.063 1.00 12.51 C ATOM 1758 CG LEU B 13 -8.758 -7.270 5.446 1.00 21.53 C ATOM 1759 CD1 LEU B 13 -9.460 -5.926 5.690 1.00 13.45 C ATOM 1760 CD2 LEU B 13 -9.745 -8.446 5.590 1.00 23.44 C ATOM 0 H LEU B 13 -5.792 -7.702 5.138 1.00 64.52 H new ATOM 0 HA LEU B 13 -7.817 -9.423 3.895 1.00 31.13 H new ATOM 0 HB2 LEU B 13 -7.416 -6.410 3.978 1.00 12.51 H new ATOM 0 HB3 LEU B 13 -8.800 -7.228 3.280 1.00 12.51 H new ATOM 0 HG LEU B 13 -7.990 -7.385 6.211 1.00 21.53 H new ATOM 0 HD11 LEU B 13 -9.948 -5.942 6.665 1.00 13.45 H new ATOM 0 HD12 LEU B 13 -8.725 -5.122 5.665 1.00 13.45 H new ATOM 0 HD13 LEU B 13 -10.206 -5.759 4.913 1.00 13.45 H new ATOM 0 HD21 LEU B 13 -10.227 -8.399 6.567 1.00 23.44 H new ATOM 0 HD22 LEU B 13 -10.502 -8.383 4.809 1.00 23.44 H new ATOM 0 HD23 LEU B 13 -9.205 -9.388 5.497 1.00 23.44 H new ATOM 1772 N GLU B 14 -6.686 -9.676 1.723 1.00 51.30 N ATOM 1773 CA GLU B 14 -6.129 -9.871 0.390 1.00 45.11 C ATOM 1774 C GLU B 14 -7.144 -9.373 -0.658 1.00 4.42 C ATOM 1775 O GLU B 14 -8.061 -10.097 -1.073 1.00 5.34 O ATOM 1776 CB GLU B 14 -5.777 -11.371 0.188 1.00 34.13 C ATOM 1777 CG GLU B 14 -5.036 -11.701 -1.122 1.00 22.41 C ATOM 1778 CD GLU B 14 -4.760 -13.203 -1.296 1.00 35.41 C ATOM 1779 OE1 GLU B 14 -3.964 -13.769 -0.517 1.00 60.12 O ATOM 1780 OE2 GLU B 14 -5.330 -13.826 -2.212 1.00 70.11 O ATOM 0 H GLU B 14 -7.169 -10.497 2.087 1.00 51.30 H new ATOM 0 HA GLU B 14 -5.210 -9.297 0.272 1.00 45.11 H new ATOM 0 HB2 GLU B 14 -5.163 -11.700 1.027 1.00 34.13 H new ATOM 0 HB3 GLU B 14 -6.699 -11.952 0.221 1.00 34.13 H new ATOM 0 HG2 GLU B 14 -5.627 -11.346 -1.966 1.00 22.41 H new ATOM 0 HG3 GLU B 14 -4.091 -11.159 -1.144 1.00 22.41 H new ATOM 1787 N LEU B 15 -7.009 -8.087 -1.010 1.00 12.52 N ATOM 1788 CA LEU B 15 -7.758 -7.464 -2.100 1.00 34.32 C ATOM 1789 C LEU B 15 -6.986 -7.682 -3.394 1.00 63.41 C ATOM 1790 O LEU B 15 -5.970 -7.024 -3.646 1.00 71.15 O ATOM 1791 CB LEU B 15 -7.979 -5.934 -1.884 1.00 22.40 C ATOM 1792 CG LEU B 15 -8.967 -5.497 -0.755 1.00 22.45 C ATOM 1793 CD1 LEU B 15 -10.334 -6.195 -0.892 1.00 32.24 C ATOM 1794 CD2 LEU B 15 -8.366 -5.673 0.661 1.00 75.02 C ATOM 0 H LEU B 15 -6.369 -7.447 -0.539 1.00 12.52 H new ATOM 0 HA LEU B 15 -8.745 -7.926 -2.138 1.00 34.32 H new ATOM 0 HB2 LEU B 15 -7.010 -5.481 -1.676 1.00 22.40 H new ATOM 0 HB3 LEU B 15 -8.334 -5.510 -2.823 1.00 22.40 H new ATOM 0 HG LEU B 15 -9.135 -4.428 -0.885 1.00 22.45 H new ATOM 0 HD11 LEU B 15 -10.993 -5.865 -0.089 1.00 32.24 H new ATOM 0 HD12 LEU B 15 -10.778 -5.939 -1.854 1.00 32.24 H new ATOM 0 HD13 LEU B 15 -10.199 -7.275 -0.830 1.00 32.24 H new ATOM 0 HD21 LEU B 15 -9.094 -5.355 1.407 1.00 75.02 H new ATOM 0 HD22 LEU B 15 -8.116 -6.722 0.822 1.00 75.02 H new ATOM 0 HD23 LEU B 15 -7.465 -5.067 0.752 1.00 75.02 H new ATOM 1806 N THR B 16 -7.478 -8.596 -4.217 1.00 64.05 N ATOM 1807 CA THR B 16 -6.923 -8.826 -5.541 1.00 4.44 C ATOM 1808 C THR B 16 -7.569 -7.801 -6.467 1.00 53.13 C ATOM 1809 O THR B 16 -8.730 -7.934 -6.836 1.00 0.33 O ATOM 1810 CB THR B 16 -7.216 -10.266 -6.059 1.00 44.22 C ATOM 1811 OG1 THR B 16 -6.622 -11.231 -5.176 1.00 72.25 O ATOM 1812 CG2 THR B 16 -6.701 -10.483 -7.494 1.00 2.10 C ATOM 0 H THR B 16 -8.270 -9.196 -3.987 1.00 64.05 H new ATOM 0 HA THR B 16 -5.838 -8.724 -5.509 1.00 4.44 H new ATOM 0 HB THR B 16 -8.298 -10.395 -6.077 1.00 44.22 H new ATOM 0 HG1 THR B 16 -6.810 -12.135 -5.505 1.00 72.25 H new ATOM 0 HG21 THR B 16 -6.928 -11.501 -7.812 1.00 2.10 H new ATOM 0 HG22 THR B 16 -7.187 -9.776 -8.166 1.00 2.10 H new ATOM 0 HG23 THR B 16 -5.623 -10.326 -7.521 1.00 2.10 H new ATOM 1820 N VAL B 17 -6.831 -6.726 -6.743 1.00 65.21 N ATOM 1821 CA VAL B 17 -7.296 -5.625 -7.580 1.00 73.33 C ATOM 1822 C VAL B 17 -6.641 -5.718 -8.961 1.00 52.32 C ATOM 1823 O VAL B 17 -5.496 -6.156 -9.076 1.00 63.34 O ATOM 1824 CB VAL B 17 -6.994 -4.235 -6.906 1.00 64.45 C ATOM 1825 CG1 VAL B 17 -7.471 -4.213 -5.430 1.00 10.31 C ATOM 1826 CG2 VAL B 17 -5.503 -3.843 -7.016 1.00 44.24 C ATOM 0 H VAL B 17 -5.884 -6.596 -6.387 1.00 65.21 H new ATOM 0 HA VAL B 17 -8.377 -5.703 -7.695 1.00 73.33 H new ATOM 0 HB VAL B 17 -7.561 -3.485 -7.457 1.00 64.45 H new ATOM 0 HG11 VAL B 17 -7.249 -3.241 -4.990 1.00 10.31 H new ATOM 0 HG12 VAL B 17 -8.546 -4.392 -5.392 1.00 10.31 H new ATOM 0 HG13 VAL B 17 -6.954 -4.991 -4.869 1.00 10.31 H new ATOM 0 HG21 VAL B 17 -5.344 -2.877 -6.537 1.00 44.24 H new ATOM 0 HG22 VAL B 17 -4.891 -4.598 -6.522 1.00 44.24 H new ATOM 0 HG23 VAL B 17 -5.221 -3.777 -8.067 1.00 44.24 H new ATOM 1836 N ARG B 18 -7.373 -5.342 -10.009 1.00 40.44 N ATOM 1837 CA ARG B 18 -6.794 -5.219 -11.355 1.00 5.23 C ATOM 1838 C ARG B 18 -6.208 -3.811 -11.481 1.00 45.33 C ATOM 1839 O ARG B 18 -6.944 -2.818 -11.564 1.00 53.13 O ATOM 1840 CB ARG B 18 -7.828 -5.563 -12.460 1.00 35.53 C ATOM 1841 CG ARG B 18 -9.217 -4.896 -12.343 1.00 30.51 C ATOM 1842 CD ARG B 18 -10.205 -5.464 -13.378 1.00 45.13 C ATOM 1843 NE ARG B 18 -9.698 -5.305 -14.758 1.00 13.02 N ATOM 1844 CZ ARG B 18 -9.849 -6.196 -15.752 1.00 23.02 C ATOM 1845 NH1 ARG B 18 -10.506 -7.341 -15.562 1.00 13.52 N ATOM 1846 NH2 ARG B 18 -9.314 -5.938 -16.939 1.00 20.01 N ATOM 0 H ARG B 18 -8.366 -5.117 -9.957 1.00 40.44 H new ATOM 0 HA ARG B 18 -5.994 -5.945 -11.498 1.00 5.23 H new ATOM 0 HB2 ARG B 18 -7.399 -5.289 -13.424 1.00 35.53 H new ATOM 0 HB3 ARG B 18 -7.969 -6.644 -12.469 1.00 35.53 H new ATOM 0 HG2 ARG B 18 -9.612 -5.050 -11.339 1.00 30.51 H new ATOM 0 HG3 ARG B 18 -9.118 -3.820 -12.485 1.00 30.51 H new ATOM 0 HD2 ARG B 18 -10.380 -6.520 -13.173 1.00 45.13 H new ATOM 0 HD3 ARG B 18 -11.165 -4.957 -13.282 1.00 45.13 H new ATOM 0 HE ARG B 18 -9.191 -4.447 -14.973 1.00 13.02 H new ATOM 0 HH11 ARG B 18 -10.906 -7.554 -14.648 1.00 13.52 H new ATOM 0 HH12 ARG B 18 -10.609 -8.004 -16.331 1.00 13.52 H new ATOM 0 HH21 ARG B 18 -8.796 -5.072 -17.088 1.00 20.01 H new ATOM 0 HH22 ARG B 18 -9.421 -6.606 -17.703 1.00 20.01 H new ATOM 1860 N ASN B 19 -4.862 -3.763 -11.445 1.00 61.31 N ATOM 1861 CA ASN B 19 -4.075 -2.544 -11.234 1.00 44.11 C ATOM 1862 C ASN B 19 -4.263 -1.544 -12.381 1.00 44.52 C ATOM 1863 O ASN B 19 -3.620 -1.635 -13.429 1.00 65.44 O ATOM 1864 CB ASN B 19 -2.575 -2.905 -11.022 1.00 22.43 C ATOM 1865 CG ASN B 19 -1.655 -1.699 -10.744 1.00 33.12 C ATOM 1866 OD1 ASN B 19 -2.085 -0.663 -10.222 1.00 0.22 O ATOM 1867 ND2 ASN B 19 -0.376 -1.829 -11.082 1.00 74.20 N ATOM 0 H ASN B 19 -4.283 -4.594 -11.565 1.00 61.31 H new ATOM 0 HA ASN B 19 -4.438 -2.053 -10.331 1.00 44.11 H new ATOM 0 HB2 ASN B 19 -2.498 -3.603 -10.189 1.00 22.43 H new ATOM 0 HB3 ASN B 19 -2.212 -3.425 -11.908 1.00 22.43 H new ATOM 0 HD21 ASN B 19 0.277 -1.064 -10.912 1.00 74.20 H new ATOM 0 HD22 ASN B 19 -0.047 -2.694 -11.511 1.00 74.20 H new ATOM 1874 N HIS B 20 -5.245 -0.665 -12.180 1.00 3.44 N ATOM 1875 CA HIS B 20 -5.423 0.576 -12.948 1.00 24.22 C ATOM 1876 C HIS B 20 -5.145 1.766 -12.003 1.00 51.40 C ATOM 1877 O HIS B 20 -5.392 1.636 -10.792 1.00 23.44 O ATOM 1878 CB HIS B 20 -6.848 0.646 -13.585 1.00 0.14 C ATOM 1879 CG HIS B 20 -8.015 0.586 -12.630 1.00 72.05 C ATOM 1880 ND1 HIS B 20 -8.740 -0.564 -12.404 1.00 51.34 N ATOM 1881 CD2 HIS B 20 -8.628 1.551 -11.901 1.00 4.04 C ATOM 1882 CE1 HIS B 20 -9.742 -0.298 -11.594 1.00 22.12 C ATOM 1883 NE2 HIS B 20 -9.694 0.972 -11.266 1.00 50.13 N ATOM 0 H HIS B 20 -5.958 -0.796 -11.462 1.00 3.44 H new ATOM 0 HA HIS B 20 -4.722 0.609 -13.782 1.00 24.22 H new ATOM 0 HB2 HIS B 20 -6.922 1.571 -14.156 1.00 0.14 H new ATOM 0 HB3 HIS B 20 -6.945 -0.175 -14.295 1.00 0.14 H new ATOM 0 HD2 HIS B 20 -8.330 2.587 -11.834 1.00 4.04 H new ATOM 0 HE1 HIS B 20 -10.482 -1.008 -11.255 1.00 22.12 H new ATOM 0 HE2 HIS B 20 -10.344 1.449 -10.641 1.00 50.13 H new ATOM 1892 N PRO B 21 -4.616 2.929 -12.516 1.00 74.22 N ATOM 1893 CA PRO B 21 -4.262 4.093 -11.663 1.00 25.42 C ATOM 1894 C PRO B 21 -5.494 4.643 -10.901 1.00 31.23 C ATOM 1895 O PRO B 21 -6.339 5.343 -11.474 1.00 63.21 O ATOM 1896 CB PRO B 21 -3.686 5.128 -12.672 1.00 21.42 C ATOM 1897 CG PRO B 21 -3.319 4.335 -13.893 1.00 64.24 C ATOM 1898 CD PRO B 21 -4.318 3.201 -13.952 1.00 63.21 C ATOM 0 HA PRO B 21 -3.550 3.839 -10.878 1.00 25.42 H new ATOM 0 HB2 PRO B 21 -4.422 5.896 -12.909 1.00 21.42 H new ATOM 0 HB3 PRO B 21 -2.816 5.637 -12.258 1.00 21.42 H new ATOM 0 HG2 PRO B 21 -3.370 4.951 -14.791 1.00 64.24 H new ATOM 0 HG3 PRO B 21 -2.299 3.957 -13.824 1.00 64.24 H new ATOM 0 HD2 PRO B 21 -5.215 3.484 -14.502 1.00 63.21 H new ATOM 0 HD3 PRO B 21 -3.902 2.325 -14.449 1.00 63.21 H new ATOM 1906 N GLY B 22 -5.603 4.254 -9.622 1.00 64.23 N ATOM 1907 CA GLY B 22 -6.751 4.606 -8.789 1.00 73.43 C ATOM 1908 C GLY B 22 -7.034 3.558 -7.714 1.00 15.44 C ATOM 1909 O GLY B 22 -7.359 3.927 -6.589 1.00 52.42 O ATOM 0 H GLY B 22 -4.900 3.691 -9.143 1.00 64.23 H new ATOM 0 HA2 GLY B 22 -6.570 5.570 -8.314 1.00 73.43 H new ATOM 0 HA3 GLY B 22 -7.632 4.722 -9.420 1.00 73.43 H new ATOM 1913 N VAL B 23 -6.853 2.247 -8.057 1.00 52.21 N ATOM 1914 CA VAL B 23 -7.209 1.094 -7.167 1.00 11.14 C ATOM 1915 C VAL B 23 -6.669 1.241 -5.722 1.00 43.41 C ATOM 1916 O VAL B 23 -7.335 0.860 -4.751 1.00 24.30 O ATOM 1917 CB VAL B 23 -6.722 -0.294 -7.748 1.00 31.13 C ATOM 1918 CG1 VAL B 23 -7.405 -0.625 -9.075 1.00 40.52 C ATOM 1919 CG2 VAL B 23 -5.188 -0.371 -7.909 1.00 14.22 C ATOM 0 H VAL B 23 -6.459 1.960 -8.953 1.00 52.21 H new ATOM 0 HA VAL B 23 -8.298 1.111 -7.132 1.00 11.14 H new ATOM 0 HB VAL B 23 -7.013 -1.041 -7.009 1.00 31.13 H new ATOM 0 HG11 VAL B 23 -7.043 -1.586 -9.441 1.00 40.52 H new ATOM 0 HG12 VAL B 23 -8.484 -0.676 -8.926 1.00 40.52 H new ATOM 0 HG13 VAL B 23 -7.176 0.151 -9.806 1.00 40.52 H new ATOM 0 HG21 VAL B 23 -4.913 -1.346 -8.311 1.00 14.22 H new ATOM 0 HG22 VAL B 23 -4.854 0.411 -8.591 1.00 14.22 H new ATOM 0 HG23 VAL B 23 -4.713 -0.232 -6.938 1.00 14.22 H new ATOM 1929 N MET B 24 -5.471 1.833 -5.618 1.00 32.04 N ATOM 1930 CA MET B 24 -4.778 2.075 -4.346 1.00 14.34 C ATOM 1931 C MET B 24 -5.558 3.109 -3.511 1.00 4.52 C ATOM 1932 O MET B 24 -5.864 2.873 -2.353 1.00 74.12 O ATOM 1933 CB MET B 24 -3.352 2.598 -4.624 1.00 22.42 C ATOM 1934 CG MET B 24 -2.531 1.778 -5.612 1.00 63.32 C ATOM 1935 SD MET B 24 -1.044 2.663 -6.094 1.00 11.54 S ATOM 1936 CE MET B 24 -1.716 4.139 -6.883 1.00 52.35 C ATOM 0 H MET B 24 -4.948 2.162 -6.429 1.00 32.04 H new ATOM 0 HA MET B 24 -4.718 1.140 -3.788 1.00 14.34 H new ATOM 0 HB2 MET B 24 -3.425 3.619 -4.999 1.00 22.42 H new ATOM 0 HB3 MET B 24 -2.810 2.644 -3.679 1.00 22.42 H new ATOM 0 HG2 MET B 24 -2.261 0.822 -5.163 1.00 63.32 H new ATOM 0 HG3 MET B 24 -3.131 1.557 -6.495 1.00 63.32 H new ATOM 0 HE1 MET B 24 -0.969 4.566 -7.552 1.00 52.35 H new ATOM 0 HE2 MET B 24 -2.606 3.873 -7.454 1.00 52.35 H new ATOM 0 HE3 MET B 24 -1.980 4.871 -6.120 1.00 52.35 H new ATOM 1946 N THR B 25 -5.897 4.244 -4.151 1.00 41.31 N ATOM 1947 CA THR B 25 -6.636 5.360 -3.518 1.00 35.11 C ATOM 1948 C THR B 25 -8.038 4.907 -3.032 1.00 4.45 C ATOM 1949 O THR B 25 -8.558 5.416 -2.028 1.00 60.24 O ATOM 1950 CB THR B 25 -6.763 6.564 -4.522 1.00 42.20 C ATOM 1951 OG1 THR B 25 -5.503 6.759 -5.189 1.00 64.41 O ATOM 1952 CG2 THR B 25 -7.161 7.880 -3.822 1.00 22.52 C ATOM 0 H THR B 25 -5.665 4.416 -5.129 1.00 41.31 H new ATOM 0 HA THR B 25 -6.072 5.686 -2.644 1.00 35.11 H new ATOM 0 HB THR B 25 -7.551 6.312 -5.231 1.00 42.20 H new ATOM 0 HG1 THR B 25 -5.578 7.508 -5.817 1.00 64.41 H new ATOM 0 HG21 THR B 25 -7.234 8.678 -4.561 1.00 22.52 H new ATOM 0 HG22 THR B 25 -8.125 7.753 -3.329 1.00 22.52 H new ATOM 0 HG23 THR B 25 -6.406 8.141 -3.081 1.00 22.52 H new ATOM 1960 N HIS B 26 -8.609 3.911 -3.744 1.00 70.45 N ATOM 1961 CA HIS B 26 -9.927 3.328 -3.424 1.00 61.53 C ATOM 1962 C HIS B 26 -9.846 2.469 -2.147 1.00 73.32 C ATOM 1963 O HIS B 26 -10.637 2.673 -1.219 1.00 51.11 O ATOM 1964 CB HIS B 26 -10.470 2.495 -4.621 1.00 23.52 C ATOM 1965 CG HIS B 26 -10.846 3.319 -5.835 1.00 5.30 C ATOM 1966 ND1 HIS B 26 -11.942 3.058 -6.626 1.00 74.13 N ATOM 1967 CD2 HIS B 26 -10.259 4.403 -6.388 1.00 21.44 C ATOM 1968 CE1 HIS B 26 -11.995 3.940 -7.605 1.00 3.44 C ATOM 1969 NE2 HIS B 26 -10.990 4.759 -7.478 1.00 22.23 N ATOM 0 H HIS B 26 -8.166 3.488 -4.560 1.00 70.45 H new ATOM 0 HA HIS B 26 -10.625 4.145 -3.240 1.00 61.53 H new ATOM 0 HB2 HIS B 26 -9.715 1.764 -4.912 1.00 23.52 H new ATOM 0 HB3 HIS B 26 -11.345 1.935 -4.291 1.00 23.52 H new ATOM 0 HD1 HIS B 26 -12.609 2.301 -6.478 1.00 74.13 H new ATOM 0 HD2 HIS B 26 -9.369 4.898 -6.029 1.00 21.44 H new ATOM 0 HE1 HIS B 26 -12.745 3.977 -8.381 1.00 3.44 H new ATOM 1978 N VAL B 27 -8.858 1.537 -2.085 1.00 13.51 N ATOM 1979 CA VAL B 27 -8.699 0.639 -0.916 1.00 64.04 C ATOM 1980 C VAL B 27 -8.332 1.452 0.342 1.00 54.32 C ATOM 1981 O VAL B 27 -8.955 1.301 1.395 1.00 2.25 O ATOM 1982 CB VAL B 27 -7.668 -0.549 -1.168 1.00 44.35 C ATOM 1983 CG1 VAL B 27 -8.060 -1.376 -2.419 1.00 73.35 C ATOM 1984 CG2 VAL B 27 -6.204 -0.072 -1.274 1.00 73.00 C ATOM 0 H VAL B 27 -8.169 1.391 -2.823 1.00 13.51 H new ATOM 0 HA VAL B 27 -9.664 0.159 -0.754 1.00 64.04 H new ATOM 0 HB VAL B 27 -7.727 -1.189 -0.287 1.00 44.35 H new ATOM 0 HG11 VAL B 27 -7.338 -2.179 -2.565 1.00 73.35 H new ATOM 0 HG12 VAL B 27 -9.053 -1.802 -2.277 1.00 73.35 H new ATOM 0 HG13 VAL B 27 -8.065 -0.729 -3.296 1.00 73.35 H new ATOM 0 HG21 VAL B 27 -5.553 -0.930 -1.446 1.00 73.00 H new ATOM 0 HG22 VAL B 27 -6.109 0.628 -2.104 1.00 73.00 H new ATOM 0 HG23 VAL B 27 -5.915 0.423 -0.347 1.00 73.00 H new ATOM 1994 N CYS B 28 -7.394 2.394 0.164 1.00 41.23 N ATOM 1995 CA CYS B 28 -6.905 3.275 1.226 1.00 63.42 C ATOM 1996 C CYS B 28 -8.026 4.184 1.760 1.00 55.53 C ATOM 1997 O CYS B 28 -8.043 4.515 2.946 1.00 15.02 O ATOM 1998 CB CYS B 28 -5.735 4.113 0.681 1.00 50.22 C ATOM 1999 SG CYS B 28 -4.322 3.124 0.145 1.00 45.35 S ATOM 0 H CYS B 28 -6.949 2.565 -0.738 1.00 41.23 H new ATOM 0 HA CYS B 28 -6.560 2.666 2.062 1.00 63.42 H new ATOM 0 HB2 CYS B 28 -6.088 4.711 -0.159 1.00 50.22 H new ATOM 0 HB3 CYS B 28 -5.408 4.810 1.453 1.00 50.22 H new ATOM 0 HG CYS B 28 -4.522 2.704 -1.069 1.00 45.35 H new ATOM 2005 N GLY B 29 -8.975 4.529 0.869 1.00 20.11 N ATOM 2006 CA GLY B 29 -10.122 5.359 1.215 1.00 24.20 C ATOM 2007 C GLY B 29 -11.040 4.703 2.245 1.00 62.33 C ATOM 2008 O GLY B 29 -11.284 5.282 3.303 1.00 3.52 O ATOM 0 H GLY B 29 -8.959 4.235 -0.108 1.00 20.11 H new ATOM 0 HA2 GLY B 29 -9.769 6.313 1.606 1.00 24.20 H new ATOM 0 HA3 GLY B 29 -10.693 5.576 0.312 1.00 24.20 H new ATOM 2012 N LEU B 30 -11.487 3.457 1.945 1.00 43.45 N ATOM 2013 CA LEU B 30 -12.468 2.708 2.780 1.00 2.50 C ATOM 2014 C LEU B 30 -11.975 2.479 4.228 1.00 74.21 C ATOM 2015 O LEU B 30 -12.736 2.670 5.194 1.00 3.24 O ATOM 2016 CB LEU B 30 -12.847 1.343 2.116 1.00 14.03 C ATOM 2017 CG LEU B 30 -14.007 1.389 1.060 1.00 52.33 C ATOM 2018 CD1 LEU B 30 -15.315 1.945 1.680 1.00 4.52 C ATOM 2019 CD2 LEU B 30 -13.618 2.165 -0.224 1.00 35.55 C ATOM 0 H LEU B 30 -11.180 2.942 1.120 1.00 43.45 H new ATOM 0 HA LEU B 30 -13.358 3.335 2.839 1.00 2.50 H new ATOM 0 HB2 LEU B 30 -11.958 0.938 1.632 1.00 14.03 H new ATOM 0 HB3 LEU B 30 -13.127 0.644 2.904 1.00 14.03 H new ATOM 0 HG LEU B 30 -14.189 0.358 0.757 1.00 52.33 H new ATOM 0 HD11 LEU B 30 -16.098 1.963 0.922 1.00 4.52 H new ATOM 0 HD12 LEU B 30 -15.626 1.307 2.507 1.00 4.52 H new ATOM 0 HD13 LEU B 30 -15.142 2.956 2.048 1.00 4.52 H new ATOM 0 HD21 LEU B 30 -14.458 2.164 -0.918 1.00 35.55 H new ATOM 0 HD22 LEU B 30 -13.362 3.192 0.035 1.00 35.55 H new ATOM 0 HD23 LEU B 30 -12.759 1.685 -0.693 1.00 35.55 H new ATOM 2031 N PHE B 31 -10.708 2.074 4.362 1.00 52.44 N ATOM 2032 CA PHE B 31 -10.114 1.708 5.667 1.00 71.12 C ATOM 2033 C PHE B 31 -9.681 2.949 6.485 1.00 41.53 C ATOM 2034 O PHE B 31 -9.759 2.930 7.722 1.00 63.15 O ATOM 2035 CB PHE B 31 -8.946 0.715 5.444 1.00 74.15 C ATOM 2036 CG PHE B 31 -9.403 -0.588 4.765 1.00 22.35 C ATOM 2037 CD1 PHE B 31 -10.192 -1.511 5.453 1.00 65.11 C ATOM 2038 CD2 PHE B 31 -9.079 -0.872 3.437 1.00 5.21 C ATOM 2039 CE1 PHE B 31 -10.638 -2.667 4.836 1.00 13.41 C ATOM 2040 CE2 PHE B 31 -9.531 -2.027 2.818 1.00 21.31 C ATOM 2041 CZ PHE B 31 -10.305 -2.926 3.520 1.00 22.02 C ATOM 0 H PHE B 31 -10.062 1.988 3.577 1.00 52.44 H new ATOM 0 HA PHE B 31 -10.878 1.215 6.268 1.00 71.12 H new ATOM 0 HB2 PHE B 31 -8.180 1.191 4.831 1.00 74.15 H new ATOM 0 HB3 PHE B 31 -8.486 0.479 6.403 1.00 74.15 H new ATOM 0 HD1 PHE B 31 -10.459 -1.320 6.482 1.00 65.11 H new ATOM 0 HD2 PHE B 31 -8.465 -0.179 2.882 1.00 5.21 H new ATOM 0 HE1 PHE B 31 -11.248 -3.369 5.385 1.00 13.41 H new ATOM 0 HE2 PHE B 31 -9.277 -2.222 1.787 1.00 21.31 H new ATOM 0 HZ PHE B 31 -10.651 -3.831 3.043 1.00 22.02 H new ATOM 2051 N ALA B 32 -9.268 4.031 5.790 1.00 4.34 N ATOM 2052 CA ALA B 32 -8.893 5.308 6.446 1.00 72.31 C ATOM 2053 C ALA B 32 -10.128 6.011 7.038 1.00 15.15 C ATOM 2054 O ALA B 32 -10.055 6.598 8.124 1.00 72.31 O ATOM 2055 CB ALA B 32 -8.171 6.245 5.458 1.00 70.31 C ATOM 0 H ALA B 32 -9.185 4.048 4.774 1.00 4.34 H new ATOM 0 HA ALA B 32 -8.209 5.070 7.261 1.00 72.31 H new ATOM 0 HB1 ALA B 32 -7.907 7.174 5.964 1.00 70.31 H new ATOM 0 HB2 ALA B 32 -7.265 5.761 5.093 1.00 70.31 H new ATOM 0 HB3 ALA B 32 -8.829 6.464 4.617 1.00 70.31 H new ATOM 2061 N ARG B 33 -11.267 5.933 6.322 1.00 31.12 N ATOM 2062 CA ARG B 33 -12.507 6.639 6.715 1.00 60.45 C ATOM 2063 C ARG B 33 -13.319 5.838 7.749 1.00 4.23 C ATOM 2064 O ARG B 33 -14.342 6.333 8.241 1.00 31.43 O ATOM 2065 CB ARG B 33 -13.377 6.951 5.470 1.00 32.23 C ATOM 2066 CG ARG B 33 -14.029 5.717 4.808 1.00 74.24 C ATOM 2067 CD ARG B 33 -14.786 6.062 3.514 1.00 55.21 C ATOM 2068 NE ARG B 33 -15.923 6.961 3.777 1.00 70.42 N ATOM 2069 CZ ARG B 33 -16.491 7.789 2.886 1.00 54.31 C ATOM 2070 NH1 ARG B 33 -16.045 7.862 1.631 1.00 42.32 N ATOM 2071 NH2 ARG B 33 -17.514 8.549 3.264 1.00 52.02 N ATOM 0 H ARG B 33 -11.356 5.387 5.465 1.00 31.12 H new ATOM 0 HA ARG B 33 -12.211 7.578 7.183 1.00 60.45 H new ATOM 0 HB2 ARG B 33 -14.163 7.648 5.759 1.00 32.23 H new ATOM 0 HB3 ARG B 33 -12.758 7.458 4.730 1.00 32.23 H new ATOM 0 HG2 ARG B 33 -13.257 4.980 4.586 1.00 74.24 H new ATOM 0 HG3 ARG B 33 -14.718 5.254 5.514 1.00 74.24 H new ATOM 0 HD2 ARG B 33 -14.104 6.534 2.807 1.00 55.21 H new ATOM 0 HD3 ARG B 33 -15.146 5.146 3.046 1.00 55.21 H new ATOM 0 HE ARG B 33 -16.313 6.954 4.719 1.00 70.42 H new ATOM 0 HH11 ARG B 33 -15.260 7.283 1.334 1.00 42.32 H new ATOM 0 HH12 ARG B 33 -16.489 8.497 0.968 1.00 42.32 H new ATOM 0 HH21 ARG B 33 -17.859 8.499 4.222 1.00 52.02 H new ATOM 0 HH22 ARG B 33 -17.953 9.182 2.596 1.00 52.02 H new ATOM 2085 N ARG B 34 -12.876 4.595 8.066 1.00 41.51 N ATOM 2086 CA ARG B 34 -13.490 3.794 9.124 1.00 30.40 C ATOM 2087 C ARG B 34 -13.196 4.456 10.479 1.00 24.01 C ATOM 2088 O ARG B 34 -14.046 5.170 11.025 1.00 0.05 O ATOM 2089 CB ARG B 34 -12.996 2.303 9.070 1.00 52.11 C ATOM 2090 CG ARG B 34 -13.364 1.397 10.297 1.00 0.42 C ATOM 2091 CD ARG B 34 -14.880 1.175 10.508 1.00 73.22 C ATOM 2092 NE ARG B 34 -15.595 2.401 10.917 1.00 15.32 N ATOM 2093 CZ ARG B 34 -15.990 2.709 12.164 1.00 65.54 C ATOM 2094 NH1 ARG B 34 -15.778 1.883 13.177 1.00 33.34 N ATOM 2095 NH2 ARG B 34 -16.602 3.858 12.390 1.00 44.32 N ATOM 0 H ARG B 34 -12.095 4.137 7.596 1.00 41.51 H new ATOM 0 HA ARG B 34 -14.570 3.759 8.979 1.00 30.40 H new ATOM 0 HB2 ARG B 34 -13.404 1.841 8.171 1.00 52.11 H new ATOM 0 HB3 ARG B 34 -11.911 2.307 8.962 1.00 52.11 H new ATOM 0 HG2 ARG B 34 -12.883 0.427 10.172 1.00 0.42 H new ATOM 0 HG3 ARG B 34 -12.948 1.845 11.199 1.00 0.42 H new ATOM 0 HD2 ARG B 34 -15.318 0.798 9.584 1.00 73.22 H new ATOM 0 HD3 ARG B 34 -15.026 0.406 11.267 1.00 73.22 H new ATOM 0 HE ARG B 34 -15.809 3.077 10.184 1.00 15.32 H new ATOM 0 HH11 ARG B 34 -15.306 0.993 13.019 1.00 33.34 H new ATOM 0 HH12 ARG B 34 -16.086 2.137 14.115 1.00 33.34 H new ATOM 0 HH21 ARG B 34 -16.772 4.505 11.620 1.00 44.32 H new ATOM 0 HH22 ARG B 34 -16.904 4.098 13.334 1.00 44.32 H new ATOM 2109 N ALA B 35 -11.970 4.257 10.968 1.00 75.12 N ATOM 2110 CA ALA B 35 -11.565 4.633 12.333 1.00 41.42 C ATOM 2111 C ALA B 35 -10.126 4.192 12.543 1.00 64.35 C ATOM 2112 O ALA B 35 -9.234 4.998 12.836 1.00 11.43 O ATOM 2113 CB ALA B 35 -12.479 3.976 13.401 1.00 72.05 C ATOM 0 H ALA B 35 -11.220 3.827 10.426 1.00 75.12 H new ATOM 0 HA ALA B 35 -11.657 5.713 12.445 1.00 41.42 H new ATOM 0 HB1 ALA B 35 -12.150 4.276 14.396 1.00 72.05 H new ATOM 0 HB2 ALA B 35 -13.509 4.298 13.247 1.00 72.05 H new ATOM 0 HB3 ALA B 35 -12.421 2.891 13.312 1.00 72.05 H new ATOM 2119 N PHE B 36 -9.921 2.883 12.353 1.00 0.42 N ATOM 2120 CA PHE B 36 -8.644 2.223 12.611 1.00 35.41 C ATOM 2121 C PHE B 36 -7.617 2.555 11.525 1.00 4.05 C ATOM 2122 O PHE B 36 -7.948 2.600 10.334 1.00 0.23 O ATOM 2123 CB PHE B 36 -8.847 0.693 12.726 1.00 24.22 C ATOM 2124 CG PHE B 36 -9.554 0.279 14.012 1.00 64.34 C ATOM 2125 CD1 PHE B 36 -8.862 0.270 15.226 1.00 4.21 C ATOM 2126 CD2 PHE B 36 -10.898 -0.080 14.019 1.00 24.04 C ATOM 2127 CE1 PHE B 36 -9.488 -0.093 16.398 1.00 23.10 C ATOM 2128 CE2 PHE B 36 -11.520 -0.439 15.199 1.00 74.33 C ATOM 2129 CZ PHE B 36 -10.816 -0.447 16.384 1.00 75.20 C ATOM 0 H PHE B 36 -10.645 2.251 12.013 1.00 0.42 H new ATOM 0 HA PHE B 36 -8.253 2.596 13.558 1.00 35.41 H new ATOM 0 HB2 PHE B 36 -9.426 0.344 11.871 1.00 24.22 H new ATOM 0 HB3 PHE B 36 -7.877 0.199 12.676 1.00 24.22 H new ATOM 0 HD1 PHE B 36 -7.820 0.552 15.246 1.00 4.21 H new ATOM 0 HD2 PHE B 36 -11.459 -0.078 13.096 1.00 24.04 H new ATOM 0 HE1 PHE B 36 -8.936 -0.099 17.326 1.00 23.10 H new ATOM 0 HE2 PHE B 36 -12.564 -0.715 15.193 1.00 74.33 H new ATOM 0 HZ PHE B 36 -11.308 -0.732 17.302 1.00 75.20 H new ATOM 2139 N ASN B 37 -6.376 2.800 11.971 1.00 53.24 N ATOM 2140 CA ASN B 37 -5.230 3.052 11.090 1.00 71.12 C ATOM 2141 C ASN B 37 -4.778 1.720 10.504 1.00 41.23 C ATOM 2142 O ASN B 37 -4.682 0.719 11.234 1.00 22.33 O ATOM 2143 CB ASN B 37 -4.037 3.693 11.867 1.00 55.23 C ATOM 2144 CG ASN B 37 -4.409 4.921 12.707 1.00 52.21 C ATOM 2145 OD1 ASN B 37 -5.523 5.045 13.213 1.00 42.14 O ATOM 2146 ND2 ASN B 37 -3.480 5.840 12.873 1.00 43.55 N ATOM 0 H ASN B 37 -6.139 2.829 12.963 1.00 53.24 H new ATOM 0 HA ASN B 37 -5.536 3.748 10.309 1.00 71.12 H new ATOM 0 HB2 ASN B 37 -3.600 2.939 12.522 1.00 55.23 H new ATOM 0 HB3 ASN B 37 -3.266 3.978 11.152 1.00 55.23 H new ATOM 0 HD21 ASN B 37 -3.679 6.672 13.429 1.00 43.55 H new ATOM 0 HD22 ASN B 37 -2.562 5.720 12.446 1.00 43.55 H new ATOM 2153 N VAL B 38 -4.532 1.698 9.194 1.00 65.41 N ATOM 2154 CA VAL B 38 -3.901 0.558 8.545 1.00 72.41 C ATOM 2155 C VAL B 38 -2.422 0.574 8.915 1.00 10.41 C ATOM 2156 O VAL B 38 -1.687 1.482 8.508 1.00 42.41 O ATOM 2157 CB VAL B 38 -4.065 0.593 6.998 1.00 52.35 C ATOM 2158 CG1 VAL B 38 -3.341 -0.598 6.349 1.00 21.12 C ATOM 2159 CG2 VAL B 38 -5.555 0.633 6.612 1.00 63.11 C ATOM 0 H VAL B 38 -4.763 2.464 8.561 1.00 65.41 H new ATOM 0 HA VAL B 38 -4.384 -0.357 8.888 1.00 72.41 H new ATOM 0 HB VAL B 38 -3.603 1.504 6.618 1.00 52.35 H new ATOM 0 HG11 VAL B 38 -3.468 -0.555 5.267 1.00 21.12 H new ATOM 0 HG12 VAL B 38 -2.279 -0.555 6.592 1.00 21.12 H new ATOM 0 HG13 VAL B 38 -3.762 -1.530 6.727 1.00 21.12 H new ATOM 0 HG21 VAL B 38 -5.649 0.657 5.526 1.00 63.11 H new ATOM 0 HG22 VAL B 38 -6.055 -0.254 7.000 1.00 63.11 H new ATOM 0 HG23 VAL B 38 -6.017 1.525 7.036 1.00 63.11 H new ATOM 2169 N GLU B 39 -2.007 -0.413 9.705 1.00 23.21 N ATOM 2170 CA GLU B 39 -0.682 -0.419 10.315 1.00 71.35 C ATOM 2171 C GLU B 39 0.373 -0.888 9.296 1.00 42.03 C ATOM 2172 O GLU B 39 1.503 -0.388 9.276 1.00 61.52 O ATOM 2173 CB GLU B 39 -0.702 -1.295 11.598 1.00 61.33 C ATOM 2174 CG GLU B 39 0.465 -1.032 12.569 1.00 51.23 C ATOM 2175 CD GLU B 39 0.522 0.436 13.044 1.00 52.42 C ATOM 2176 OE1 GLU B 39 -0.180 0.785 14.022 1.00 11.14 O ATOM 2177 OE2 GLU B 39 1.252 1.253 12.434 1.00 5.34 O ATOM 0 H GLU B 39 -2.577 -1.226 9.939 1.00 23.21 H new ATOM 0 HA GLU B 39 -0.406 0.593 10.612 1.00 71.35 H new ATOM 0 HB2 GLU B 39 -1.641 -1.125 12.124 1.00 61.33 H new ATOM 0 HB3 GLU B 39 -0.686 -2.345 11.306 1.00 61.33 H new ATOM 0 HG2 GLU B 39 0.367 -1.687 13.435 1.00 51.23 H new ATOM 0 HG3 GLU B 39 1.405 -1.289 12.080 1.00 51.23 H new ATOM 2184 N GLY B 40 -0.040 -1.803 8.401 1.00 62.54 N ATOM 2185 CA GLY B 40 0.849 -2.379 7.395 1.00 20.51 C ATOM 2186 C GLY B 40 0.127 -2.624 6.084 1.00 23.24 C ATOM 2187 O GLY B 40 -1.081 -2.866 6.073 1.00 65.43 O ATOM 0 H GLY B 40 -0.995 -2.158 8.360 1.00 62.54 H new ATOM 0 HA2 GLY B 40 1.692 -1.708 7.227 1.00 20.51 H new ATOM 0 HA3 GLY B 40 1.259 -3.318 7.766 1.00 20.51 H new ATOM 2191 N ILE B 41 0.863 -2.551 4.975 1.00 43.50 N ATOM 2192 CA ILE B 41 0.343 -2.812 3.619 1.00 41.12 C ATOM 2193 C ILE B 41 1.379 -3.681 2.891 1.00 63.02 C ATOM 2194 O ILE B 41 2.576 -3.604 3.174 1.00 73.32 O ATOM 2195 CB ILE B 41 0.085 -1.477 2.788 1.00 62.13 C ATOM 2196 CG1 ILE B 41 -0.842 -0.489 3.571 1.00 12.33 C ATOM 2197 CG2 ILE B 41 -0.510 -1.780 1.380 1.00 44.02 C ATOM 2198 CD1 ILE B 41 -1.051 0.863 2.905 1.00 43.21 C ATOM 0 H ILE B 41 1.853 -2.306 4.986 1.00 43.50 H new ATOM 0 HA ILE B 41 -0.622 -3.312 3.704 1.00 41.12 H new ATOM 0 HB ILE B 41 1.054 -0.999 2.647 1.00 62.13 H new ATOM 0 HG12 ILE B 41 -1.814 -0.962 3.712 1.00 12.33 H new ATOM 0 HG13 ILE B 41 -0.419 -0.327 4.563 1.00 12.33 H new ATOM 0 HG21 ILE B 41 -0.672 -0.845 0.844 1.00 44.02 H new ATOM 0 HG22 ILE B 41 0.185 -2.404 0.818 1.00 44.02 H new ATOM 0 HG23 ILE B 41 -1.460 -2.303 1.491 1.00 44.02 H new ATOM 0 HD11 ILE B 41 -1.707 1.476 3.523 1.00 43.21 H new ATOM 0 HD12 ILE B 41 -0.090 1.364 2.789 1.00 43.21 H new ATOM 0 HD13 ILE B 41 -1.506 0.719 1.925 1.00 43.21 H new ATOM 2210 N LEU B 42 0.901 -4.521 1.989 1.00 64.43 N ATOM 2211 CA LEU B 42 1.739 -5.331 1.112 1.00 54.44 C ATOM 2212 C LEU B 42 0.979 -5.493 -0.207 1.00 51.22 C ATOM 2213 O LEU B 42 -0.240 -5.537 -0.202 1.00 32.12 O ATOM 2214 CB LEU B 42 2.058 -6.691 1.790 1.00 12.13 C ATOM 2215 CG LEU B 42 2.921 -7.710 0.977 1.00 43.42 C ATOM 2216 CD1 LEU B 42 4.212 -7.073 0.432 1.00 53.43 C ATOM 2217 CD2 LEU B 42 3.236 -8.947 1.839 1.00 24.43 C ATOM 0 H LEU B 42 -0.098 -4.664 1.840 1.00 64.43 H new ATOM 0 HA LEU B 42 2.701 -4.857 0.916 1.00 54.44 H new ATOM 0 HB2 LEU B 42 2.572 -6.488 2.730 1.00 12.13 H new ATOM 0 HB3 LEU B 42 1.113 -7.173 2.041 1.00 12.13 H new ATOM 0 HG LEU B 42 2.336 -8.023 0.112 1.00 43.42 H new ATOM 0 HD11 LEU B 42 4.778 -7.819 -0.126 1.00 53.43 H new ATOM 0 HD12 LEU B 42 3.958 -6.243 -0.227 1.00 53.43 H new ATOM 0 HD13 LEU B 42 4.815 -6.706 1.262 1.00 53.43 H new ATOM 0 HD21 LEU B 42 3.837 -9.649 1.262 1.00 24.43 H new ATOM 0 HD22 LEU B 42 3.789 -8.640 2.727 1.00 24.43 H new ATOM 0 HD23 LEU B 42 2.305 -9.428 2.139 1.00 24.43 H new ATOM 2229 N CYS B 43 1.706 -5.499 -1.324 1.00 54.22 N ATOM 2230 CA CYS B 43 1.120 -5.618 -2.659 1.00 73.11 C ATOM 2231 C CYS B 43 2.132 -6.262 -3.600 1.00 1.25 C ATOM 2232 O CYS B 43 3.124 -5.623 -3.985 1.00 4.11 O ATOM 2233 CB CYS B 43 0.681 -4.234 -3.182 1.00 22.11 C ATOM 2234 SG CYS B 43 0.105 -4.211 -4.891 1.00 71.23 S ATOM 0 H CYS B 43 2.723 -5.421 -1.328 1.00 54.22 H new ATOM 0 HA CYS B 43 0.233 -6.250 -2.610 1.00 73.11 H new ATOM 0 HB2 CYS B 43 -0.116 -3.856 -2.541 1.00 22.11 H new ATOM 0 HB3 CYS B 43 1.520 -3.544 -3.088 1.00 22.11 H new ATOM 0 HG CYS B 43 0.006 -5.430 -5.332 1.00 71.23 H new ATOM 2240 N LEU B 44 1.920 -7.555 -3.902 1.00 2.44 N ATOM 2241 CA LEU B 44 2.696 -8.282 -4.920 1.00 1.22 C ATOM 2242 C LEU B 44 1.866 -8.353 -6.215 1.00 51.34 C ATOM 2243 O LEU B 44 0.763 -8.934 -6.210 1.00 0.24 O ATOM 2244 CB LEU B 44 3.136 -9.704 -4.428 1.00 32.53 C ATOM 2245 CG LEU B 44 4.595 -9.805 -3.867 1.00 74.13 C ATOM 2246 CD1 LEU B 44 4.859 -8.779 -2.751 1.00 75.13 C ATOM 2247 CD2 LEU B 44 4.914 -11.239 -3.399 1.00 61.24 C ATOM 0 H LEU B 44 1.206 -8.124 -3.447 1.00 2.44 H new ATOM 0 HA LEU B 44 3.622 -7.741 -5.114 1.00 1.22 H new ATOM 0 HB2 LEU B 44 2.444 -10.030 -3.652 1.00 32.53 H new ATOM 0 HB3 LEU B 44 3.036 -10.403 -5.258 1.00 32.53 H new ATOM 0 HG LEU B 44 5.271 -9.562 -4.687 1.00 74.13 H new ATOM 0 HD11 LEU B 44 5.883 -8.886 -2.393 1.00 75.13 H new ATOM 0 HD12 LEU B 44 4.715 -7.772 -3.141 1.00 75.13 H new ATOM 0 HD13 LEU B 44 4.166 -8.951 -1.927 1.00 75.13 H new ATOM 0 HD21 LEU B 44 5.933 -11.278 -3.015 1.00 61.24 H new ATOM 0 HD22 LEU B 44 4.218 -11.528 -2.611 1.00 61.24 H new ATOM 0 HD23 LEU B 44 4.816 -11.926 -4.239 1.00 61.24 H new ATOM 2259 N PRO B 45 2.370 -7.739 -7.332 1.00 15.35 N ATOM 2260 CA PRO B 45 1.723 -7.826 -8.657 1.00 4.44 C ATOM 2261 C PRO B 45 1.776 -9.254 -9.211 1.00 61.31 C ATOM 2262 O PRO B 45 2.826 -9.897 -9.173 1.00 31.41 O ATOM 2263 CB PRO B 45 2.561 -6.862 -9.533 1.00 32.55 C ATOM 2264 CG PRO B 45 3.903 -6.809 -8.867 1.00 53.14 C ATOM 2265 CD PRO B 45 3.609 -6.901 -7.391 1.00 63.04 C ATOM 0 HA PRO B 45 0.665 -7.565 -8.626 1.00 4.44 H new ATOM 0 HB2 PRO B 45 2.642 -7.227 -10.557 1.00 32.55 H new ATOM 0 HB3 PRO B 45 2.104 -5.874 -9.582 1.00 32.55 H new ATOM 0 HG2 PRO B 45 4.539 -7.631 -9.195 1.00 53.14 H new ATOM 0 HG3 PRO B 45 4.427 -5.884 -9.108 1.00 53.14 H new ATOM 0 HD2 PRO B 45 4.432 -7.363 -6.846 1.00 63.04 H new ATOM 0 HD3 PRO B 45 3.449 -5.916 -6.952 1.00 63.04 H new ATOM 2273 N ILE B 46 0.639 -9.756 -9.696 1.00 23.43 N ATOM 2274 CA ILE B 46 0.601 -11.034 -10.407 1.00 60.24 C ATOM 2275 C ILE B 46 1.170 -10.806 -11.813 1.00 44.54 C ATOM 2276 O ILE B 46 0.496 -10.256 -12.680 1.00 4.55 O ATOM 2277 CB ILE B 46 -0.846 -11.637 -10.477 1.00 10.35 C ATOM 2278 CG1 ILE B 46 -1.476 -11.744 -9.049 1.00 11.14 C ATOM 2279 CG2 ILE B 46 -0.849 -13.008 -11.190 1.00 14.45 C ATOM 2280 CD1 ILE B 46 -0.687 -12.573 -8.035 1.00 5.23 C ATOM 0 H ILE B 46 -0.268 -9.297 -9.609 1.00 23.43 H new ATOM 0 HA ILE B 46 1.202 -11.763 -9.864 1.00 60.24 H new ATOM 0 HB ILE B 46 -1.461 -10.958 -11.067 1.00 10.35 H new ATOM 0 HG12 ILE B 46 -1.599 -10.737 -8.650 1.00 11.14 H new ATOM 0 HG13 ILE B 46 -2.473 -12.173 -9.144 1.00 11.14 H new ATOM 0 HG21 ILE B 46 -1.866 -13.399 -11.222 1.00 14.45 H new ATOM 0 HG22 ILE B 46 -0.473 -12.890 -12.206 1.00 14.45 H new ATOM 0 HG23 ILE B 46 -0.210 -13.703 -10.645 1.00 14.45 H new ATOM 0 HD11 ILE B 46 -1.215 -12.579 -7.081 1.00 5.23 H new ATOM 0 HD12 ILE B 46 -0.586 -13.595 -8.401 1.00 5.23 H new ATOM 0 HD13 ILE B 46 0.303 -12.136 -7.899 1.00 5.23 H new ATOM 2292 N GLN B 47 2.439 -11.193 -11.995 1.00 35.31 N ATOM 2293 CA GLN B 47 3.194 -10.997 -13.256 1.00 65.15 C ATOM 2294 C GLN B 47 2.546 -11.698 -14.469 1.00 33.32 C ATOM 2295 O GLN B 47 2.840 -11.358 -15.624 1.00 25.44 O ATOM 2296 CB GLN B 47 4.649 -11.503 -13.076 1.00 15.02 C ATOM 2297 CG GLN B 47 4.767 -12.980 -12.621 1.00 4.20 C ATOM 2298 CD GLN B 47 6.210 -13.459 -12.408 1.00 65.31 C ATOM 2299 OE1 GLN B 47 7.139 -13.005 -13.075 1.00 62.51 O ATOM 2300 NE2 GLN B 47 6.409 -14.381 -11.479 1.00 30.24 N ATOM 0 H GLN B 47 2.983 -11.657 -11.268 1.00 35.31 H new ATOM 0 HA GLN B 47 3.183 -9.928 -13.468 1.00 65.15 H new ATOM 0 HB2 GLN B 47 5.181 -11.384 -14.020 1.00 15.02 H new ATOM 0 HB3 GLN B 47 5.152 -10.870 -12.345 1.00 15.02 H new ATOM 0 HG2 GLN B 47 4.213 -13.108 -11.691 1.00 4.20 H new ATOM 0 HG3 GLN B 47 4.291 -13.617 -13.366 1.00 4.20 H new ATOM 0 HE21 GLN B 47 5.621 -14.740 -10.940 1.00 30.24 H new ATOM 0 HE22 GLN B 47 7.350 -14.732 -11.302 1.00 30.24 H new ATOM 2309 N ASP B 48 1.671 -12.678 -14.188 1.00 43.10 N ATOM 2310 CA ASP B 48 1.035 -13.509 -15.212 1.00 55.02 C ATOM 2311 C ASP B 48 -0.114 -12.762 -15.929 1.00 13.22 C ATOM 2312 O ASP B 48 -0.281 -12.892 -17.145 1.00 12.24 O ATOM 2313 CB ASP B 48 0.531 -14.821 -14.565 1.00 31.41 C ATOM 2314 CG ASP B 48 -0.083 -15.806 -15.580 1.00 53.22 C ATOM 2315 OD1 ASP B 48 0.687 -16.503 -16.278 1.00 73.43 O ATOM 2316 OD2 ASP B 48 -1.332 -15.887 -15.684 1.00 33.21 O ATOM 0 H ASP B 48 1.387 -12.914 -13.237 1.00 43.10 H new ATOM 0 HA ASP B 48 1.776 -13.746 -15.976 1.00 55.02 H new ATOM 0 HB2 ASP B 48 1.361 -15.308 -14.054 1.00 31.41 H new ATOM 0 HB3 ASP B 48 -0.214 -14.581 -13.806 1.00 31.41 H new ATOM 2321 N SER B 49 -0.900 -11.973 -15.162 1.00 13.32 N ATOM 2322 CA SER B 49 -2.119 -11.288 -15.683 1.00 71.41 C ATOM 2323 C SER B 49 -2.351 -9.921 -14.999 1.00 64.35 C ATOM 2324 O SER B 49 -1.694 -9.604 -14.008 1.00 23.42 O ATOM 2325 CB SER B 49 -3.364 -12.188 -15.484 1.00 1.24 C ATOM 2326 OG SER B 49 -3.232 -13.451 -16.122 1.00 41.42 O ATOM 0 H SER B 49 -0.716 -11.790 -14.175 1.00 13.32 H new ATOM 0 HA SER B 49 -1.961 -11.108 -16.746 1.00 71.41 H new ATOM 0 HB2 SER B 49 -3.532 -12.339 -14.418 1.00 1.24 H new ATOM 0 HB3 SER B 49 -4.244 -11.677 -15.876 1.00 1.24 H new ATOM 0 HG SER B 49 -2.518 -13.963 -15.689 1.00 41.42 H new ATOM 2332 N ASP B 50 -3.317 -9.130 -15.536 1.00 11.11 N ATOM 2333 CA ASP B 50 -3.673 -7.786 -15.007 1.00 43.14 C ATOM 2334 C ASP B 50 -4.417 -7.899 -13.660 1.00 64.32 C ATOM 2335 O ASP B 50 -5.651 -7.856 -13.606 1.00 65.23 O ATOM 2336 CB ASP B 50 -4.538 -6.994 -16.034 1.00 73.13 C ATOM 2337 CG ASP B 50 -3.796 -6.712 -17.343 1.00 20.12 C ATOM 2338 OD1 ASP B 50 -3.052 -5.709 -17.414 1.00 23.20 O ATOM 2339 OD2 ASP B 50 -3.937 -7.503 -18.306 1.00 24.34 O ATOM 0 H ASP B 50 -3.870 -9.406 -16.347 1.00 11.11 H new ATOM 0 HA ASP B 50 -2.744 -7.240 -14.842 1.00 43.14 H new ATOM 0 HB2 ASP B 50 -5.445 -7.559 -16.250 1.00 73.13 H new ATOM 0 HB3 ASP B 50 -4.850 -6.050 -15.588 1.00 73.13 H new ATOM 2344 N LYS B 51 -3.638 -8.122 -12.588 1.00 41.33 N ATOM 2345 CA LYS B 51 -4.120 -8.131 -11.199 1.00 62.44 C ATOM 2346 C LYS B 51 -2.925 -8.061 -10.230 1.00 33.14 C ATOM 2347 O LYS B 51 -1.778 -8.320 -10.615 1.00 51.53 O ATOM 2348 CB LYS B 51 -5.035 -9.357 -10.889 1.00 33.14 C ATOM 2349 CG LYS B 51 -4.470 -10.733 -11.290 1.00 1.21 C ATOM 2350 CD LYS B 51 -5.356 -11.900 -10.790 1.00 53.35 C ATOM 2351 CE LYS B 51 -4.911 -13.263 -11.339 1.00 32.23 C ATOM 2352 NZ LYS B 51 -5.121 -13.368 -12.808 1.00 61.44 N ATOM 0 H LYS B 51 -2.637 -8.304 -12.666 1.00 41.33 H new ATOM 0 HA LYS B 51 -4.743 -7.248 -11.058 1.00 62.44 H new ATOM 0 HB2 LYS B 51 -5.245 -9.369 -9.819 1.00 33.14 H new ATOM 0 HB3 LYS B 51 -5.988 -9.214 -11.399 1.00 33.14 H new ATOM 0 HG2 LYS B 51 -4.383 -10.785 -12.375 1.00 1.21 H new ATOM 0 HG3 LYS B 51 -3.465 -10.843 -10.884 1.00 1.21 H new ATOM 0 HD2 LYS B 51 -5.332 -11.927 -9.701 1.00 53.35 H new ATOM 0 HD3 LYS B 51 -6.390 -11.716 -11.082 1.00 53.35 H new ATOM 0 HE2 LYS B 51 -3.856 -13.419 -11.112 1.00 32.23 H new ATOM 0 HE3 LYS B 51 -5.466 -14.055 -10.836 1.00 32.23 H new ATOM 0 HZ1 LYS B 51 -4.284 -13.800 -13.248 1.00 61.44 H new ATOM 0 HZ2 LYS B 51 -5.956 -13.958 -12.998 1.00 61.44 H new ATOM 0 HZ3 LYS B 51 -5.270 -12.419 -13.206 1.00 61.44 H new ATOM 2366 N SER B 52 -3.213 -7.715 -8.971 1.00 0.42 N ATOM 2367 CA SER B 52 -2.209 -7.518 -7.927 1.00 60.12 C ATOM 2368 C SER B 52 -2.897 -7.725 -6.572 1.00 51.41 C ATOM 2369 O SER B 52 -3.993 -7.203 -6.354 1.00 55.51 O ATOM 2370 CB SER B 52 -1.611 -6.092 -8.022 1.00 1.24 C ATOM 2371 OG SER B 52 -0.567 -5.919 -7.084 1.00 24.05 O ATOM 0 H SER B 52 -4.168 -7.562 -8.646 1.00 0.42 H new ATOM 0 HA SER B 52 -1.391 -8.228 -8.045 1.00 60.12 H new ATOM 0 HB2 SER B 52 -1.233 -5.918 -9.029 1.00 1.24 H new ATOM 0 HB3 SER B 52 -2.392 -5.353 -7.843 1.00 1.24 H new ATOM 0 HG SER B 52 -0.506 -4.974 -6.834 1.00 24.05 H new ATOM 2377 N HIS B 53 -2.279 -8.515 -5.680 1.00 53.34 N ATOM 2378 CA HIS B 53 -2.860 -8.834 -4.361 1.00 65.41 C ATOM 2379 C HIS B 53 -2.320 -7.856 -3.312 1.00 64.31 C ATOM 2380 O HIS B 53 -1.126 -7.856 -3.024 1.00 4.32 O ATOM 2381 CB HIS B 53 -2.522 -10.292 -3.950 1.00 71.03 C ATOM 2382 CG HIS B 53 -3.179 -11.366 -4.784 1.00 24.41 C ATOM 2383 ND1 HIS B 53 -3.520 -12.606 -4.284 1.00 3.24 N ATOM 2384 CD2 HIS B 53 -3.527 -11.396 -6.092 1.00 62.33 C ATOM 2385 CE1 HIS B 53 -4.057 -13.335 -5.239 1.00 61.32 C ATOM 2386 NE2 HIS B 53 -4.071 -12.625 -6.345 1.00 32.13 N ATOM 0 H HIS B 53 -1.371 -8.948 -5.848 1.00 53.34 H new ATOM 0 HA HIS B 53 -3.944 -8.738 -4.424 1.00 65.41 H new ATOM 0 HB2 HIS B 53 -1.441 -10.425 -4.001 1.00 71.03 H new ATOM 0 HB3 HIS B 53 -2.812 -10.435 -2.909 1.00 71.03 H new ATOM 0 HD2 HIS B 53 -3.398 -10.595 -6.805 1.00 62.33 H new ATOM 0 HE1 HIS B 53 -4.424 -14.345 -5.132 1.00 61.32 H new ATOM 0 HE2 HIS B 53 -4.430 -12.940 -7.246 1.00 32.13 H new ATOM 2395 N ILE B 54 -3.211 -7.012 -2.779 1.00 54.33 N ATOM 2396 CA ILE B 54 -2.908 -6.079 -1.689 1.00 20.12 C ATOM 2397 C ILE B 54 -3.323 -6.746 -0.370 1.00 50.34 C ATOM 2398 O ILE B 54 -4.505 -6.950 -0.139 1.00 20.23 O ATOM 2399 CB ILE B 54 -3.647 -4.673 -1.855 1.00 55.12 C ATOM 2400 CG1 ILE B 54 -3.083 -3.845 -3.062 1.00 13.13 C ATOM 2401 CG2 ILE B 54 -3.554 -3.823 -0.554 1.00 33.15 C ATOM 2402 CD1 ILE B 54 -3.278 -4.456 -4.436 1.00 12.55 C ATOM 0 H ILE B 54 -4.178 -6.958 -3.098 1.00 54.33 H new ATOM 0 HA ILE B 54 -1.840 -5.863 -1.703 1.00 20.12 H new ATOM 0 HB ILE B 54 -4.693 -4.902 -2.057 1.00 55.12 H new ATOM 0 HG12 ILE B 54 -3.553 -2.862 -3.053 1.00 13.13 H new ATOM 0 HG13 ILE B 54 -2.016 -3.690 -2.903 1.00 13.13 H new ATOM 0 HG21 ILE B 54 -4.067 -2.873 -0.703 1.00 33.15 H new ATOM 0 HG22 ILE B 54 -4.022 -4.364 0.268 1.00 33.15 H new ATOM 0 HG23 ILE B 54 -2.507 -3.636 -0.316 1.00 33.15 H new ATOM 0 HD11 ILE B 54 -2.849 -3.797 -5.191 1.00 12.55 H new ATOM 0 HD12 ILE B 54 -2.782 -5.426 -4.477 1.00 12.55 H new ATOM 0 HD13 ILE B 54 -4.343 -4.585 -4.629 1.00 12.55 H new ATOM 2414 N TRP B 55 -2.339 -7.122 0.456 1.00 51.11 N ATOM 2415 CA TRP B 55 -2.564 -7.596 1.822 1.00 25.23 C ATOM 2416 C TRP B 55 -2.611 -6.378 2.758 1.00 53.41 C ATOM 2417 O TRP B 55 -1.600 -5.716 3.017 1.00 40.21 O ATOM 2418 CB TRP B 55 -1.438 -8.583 2.209 1.00 23.24 C ATOM 2419 CG TRP B 55 -1.495 -9.867 1.406 1.00 4.12 C ATOM 2420 CD1 TRP B 55 -2.273 -10.958 1.660 1.00 63.54 C ATOM 2421 CD2 TRP B 55 -0.768 -10.174 0.207 1.00 52.52 C ATOM 2422 NE1 TRP B 55 -2.062 -11.919 0.712 1.00 70.02 N ATOM 2423 CE2 TRP B 55 -1.146 -11.466 -0.191 1.00 52.53 C ATOM 2424 CE3 TRP B 55 0.170 -9.487 -0.557 1.00 45.13 C ATOM 2425 CZ2 TRP B 55 -0.632 -12.082 -1.324 1.00 54.43 C ATOM 2426 CZ3 TRP B 55 0.685 -10.094 -1.683 1.00 33.54 C ATOM 2427 CH2 TRP B 55 0.287 -11.384 -2.058 1.00 13.20 C ATOM 0 H TRP B 55 -1.355 -7.105 0.189 1.00 51.11 H new ATOM 0 HA TRP B 55 -3.512 -8.128 1.905 1.00 25.23 H new ATOM 0 HB2 TRP B 55 -0.471 -8.105 2.056 1.00 23.24 H new ATOM 0 HB3 TRP B 55 -1.513 -8.818 3.271 1.00 23.24 H new ATOM 0 HD1 TRP B 55 -2.957 -11.049 2.491 1.00 63.54 H new ATOM 0 HE1 TRP B 55 -2.518 -12.831 0.684 1.00 70.02 H new ATOM 0 HE3 TRP B 55 0.489 -8.495 -0.273 1.00 45.13 H new ATOM 0 HZ2 TRP B 55 -0.946 -13.074 -1.614 1.00 54.43 H new ATOM 0 HZ3 TRP B 55 1.408 -9.566 -2.287 1.00 33.54 H new ATOM 0 HH2 TRP B 55 0.713 -11.835 -2.942 1.00 13.20 H new ATOM 2438 N LEU B 56 -3.824 -6.078 3.215 1.00 1.14 N ATOM 2439 CA LEU B 56 -4.157 -4.865 3.965 1.00 10.31 C ATOM 2440 C LEU B 56 -4.243 -5.234 5.462 1.00 61.25 C ATOM 2441 O LEU B 56 -5.178 -5.920 5.878 1.00 23.25 O ATOM 2442 CB LEU B 56 -5.511 -4.323 3.382 1.00 11.22 C ATOM 2443 CG LEU B 56 -5.929 -2.844 3.699 1.00 32.01 C ATOM 2444 CD1 LEU B 56 -6.274 -2.625 5.190 1.00 72.43 C ATOM 2445 CD2 LEU B 56 -4.859 -1.838 3.201 1.00 52.54 C ATOM 0 H LEU B 56 -4.628 -6.689 3.071 1.00 1.14 H new ATOM 0 HA LEU B 56 -3.407 -4.080 3.871 1.00 10.31 H new ATOM 0 HB2 LEU B 56 -5.471 -4.430 2.298 1.00 11.22 H new ATOM 0 HB3 LEU B 56 -6.309 -4.975 3.737 1.00 11.22 H new ATOM 0 HG LEU B 56 -6.848 -2.653 3.146 1.00 32.01 H new ATOM 0 HD11 LEU B 56 -6.556 -1.584 5.349 1.00 72.43 H new ATOM 0 HD12 LEU B 56 -7.105 -3.273 5.470 1.00 72.43 H new ATOM 0 HD13 LEU B 56 -5.405 -2.864 5.803 1.00 72.43 H new ATOM 0 HD21 LEU B 56 -5.178 -0.822 3.435 1.00 52.54 H new ATOM 0 HD22 LEU B 56 -3.909 -2.043 3.694 1.00 52.54 H new ATOM 0 HD23 LEU B 56 -4.737 -1.940 2.123 1.00 52.54 H new ATOM 2457 N LEU B 57 -3.247 -4.795 6.255 1.00 53.23 N ATOM 2458 CA LEU B 57 -3.135 -5.120 7.692 1.00 33.14 C ATOM 2459 C LEU B 57 -3.837 -4.039 8.520 1.00 2.34 C ATOM 2460 O LEU B 57 -3.272 -2.961 8.759 1.00 10.55 O ATOM 2461 CB LEU B 57 -1.642 -5.243 8.130 1.00 32.01 C ATOM 2462 CG LEU B 57 -0.889 -6.556 7.755 1.00 31.11 C ATOM 2463 CD1 LEU B 57 -0.992 -6.912 6.254 1.00 13.01 C ATOM 2464 CD2 LEU B 57 0.580 -6.486 8.210 1.00 53.12 C ATOM 0 H LEU B 57 -2.491 -4.200 5.915 1.00 53.23 H new ATOM 0 HA LEU B 57 -3.616 -6.083 7.864 1.00 33.14 H new ATOM 0 HB2 LEU B 57 -1.094 -4.406 7.698 1.00 32.01 H new ATOM 0 HB3 LEU B 57 -1.598 -5.127 9.213 1.00 32.01 H new ATOM 0 HG LEU B 57 -1.387 -7.365 8.290 1.00 31.11 H new ATOM 0 HD11 LEU B 57 -0.447 -7.836 6.061 1.00 13.01 H new ATOM 0 HD12 LEU B 57 -2.039 -7.045 5.983 1.00 13.01 H new ATOM 0 HD13 LEU B 57 -0.563 -6.106 5.659 1.00 13.01 H new ATOM 0 HD21 LEU B 57 1.089 -7.411 7.940 1.00 53.12 H new ATOM 0 HD22 LEU B 57 1.072 -5.645 7.722 1.00 53.12 H new ATOM 0 HD23 LEU B 57 0.620 -6.352 9.291 1.00 53.12 H new ATOM 2476 N VAL B 58 -5.071 -4.328 8.917 1.00 5.55 N ATOM 2477 CA VAL B 58 -5.858 -3.485 9.832 1.00 64.33 C ATOM 2478 C VAL B 58 -6.554 -4.412 10.820 1.00 15.05 C ATOM 2479 O VAL B 58 -6.895 -5.527 10.460 1.00 3.31 O ATOM 2480 CB VAL B 58 -6.917 -2.606 9.055 1.00 52.15 C ATOM 2481 CG1 VAL B 58 -8.029 -3.457 8.397 1.00 63.44 C ATOM 2482 CG2 VAL B 58 -7.501 -1.484 9.954 1.00 52.02 C ATOM 0 H VAL B 58 -5.567 -5.165 8.612 1.00 5.55 H new ATOM 0 HA VAL B 58 -5.198 -2.789 10.349 1.00 64.33 H new ATOM 0 HB VAL B 58 -6.380 -2.122 8.239 1.00 52.15 H new ATOM 0 HG11 VAL B 58 -8.729 -2.802 7.877 1.00 63.44 H new ATOM 0 HG12 VAL B 58 -7.583 -4.150 7.684 1.00 63.44 H new ATOM 0 HG13 VAL B 58 -8.560 -4.019 9.165 1.00 63.44 H new ATOM 0 HG21 VAL B 58 -8.225 -0.901 9.384 1.00 52.02 H new ATOM 0 HG22 VAL B 58 -7.993 -1.930 10.818 1.00 52.02 H new ATOM 0 HG23 VAL B 58 -6.695 -0.832 10.291 1.00 52.02 H new ATOM 2492 N ASN B 59 -6.740 -3.984 12.065 1.00 64.24 N ATOM 2493 CA ASN B 59 -7.480 -4.795 13.055 1.00 55.04 C ATOM 2494 C ASN B 59 -8.996 -4.646 12.833 1.00 32.10 C ATOM 2495 O ASN B 59 -9.507 -3.535 12.656 1.00 62.12 O ATOM 2496 CB ASN B 59 -7.042 -4.484 14.515 1.00 24.02 C ATOM 2497 CG ASN B 59 -6.763 -3.016 14.819 1.00 43.34 C ATOM 2498 OD1 ASN B 59 -7.269 -2.111 14.162 1.00 33.44 O ATOM 2499 ND2 ASN B 59 -5.943 -2.776 15.825 1.00 20.02 N ATOM 0 H ASN B 59 -6.397 -3.091 12.420 1.00 64.24 H new ATOM 0 HA ASN B 59 -7.228 -5.844 12.900 1.00 55.04 H new ATOM 0 HB2 ASN B 59 -7.821 -4.835 15.192 1.00 24.02 H new ATOM 0 HB3 ASN B 59 -6.143 -5.060 14.737 1.00 24.02 H new ATOM 0 HD21 ASN B 59 -5.713 -1.815 16.077 1.00 20.02 H new ATOM 0 HD22 ASN B 59 -5.540 -3.552 16.350 1.00 20.02 H new ATOM 2506 N ASP B 60 -9.679 -5.809 12.809 1.00 22.30 N ATOM 2507 CA ASP B 60 -11.109 -5.956 12.472 1.00 75.14 C ATOM 2508 C ASP B 60 -12.020 -5.146 13.409 1.00 71.33 C ATOM 2509 O ASP B 60 -11.732 -4.998 14.600 1.00 71.45 O ATOM 2510 CB ASP B 60 -11.494 -7.467 12.503 1.00 10.12 C ATOM 2511 CG ASP B 60 -13.000 -7.725 12.271 1.00 43.15 C ATOM 2512 OD1 ASP B 60 -13.475 -7.504 11.139 1.00 4.45 O ATOM 2513 OD2 ASP B 60 -13.713 -8.140 13.218 1.00 32.23 O ATOM 0 H ASP B 60 -9.235 -6.700 13.031 1.00 22.30 H new ATOM 0 HA ASP B 60 -11.260 -5.556 11.469 1.00 75.14 H new ATOM 0 HB2 ASP B 60 -10.921 -7.995 11.741 1.00 10.12 H new ATOM 0 HB3 ASP B 60 -11.206 -7.887 13.466 1.00 10.12 H new ATOM 2518 N ASP B 61 -13.122 -4.646 12.836 1.00 12.40 N ATOM 2519 CA ASP B 61 -14.170 -3.908 13.536 1.00 10.32 C ATOM 2520 C ASP B 61 -15.527 -4.316 12.939 1.00 32.54 C ATOM 2521 O ASP B 61 -15.588 -4.770 11.785 1.00 35.23 O ATOM 2522 CB ASP B 61 -13.909 -2.386 13.406 1.00 71.23 C ATOM 2523 CG ASP B 61 -15.033 -1.515 13.978 1.00 23.41 C ATOM 2524 OD1 ASP B 61 -15.173 -1.431 15.219 1.00 54.45 O ATOM 2525 OD2 ASP B 61 -15.778 -0.911 13.187 1.00 12.32 O ATOM 0 H ASP B 61 -13.311 -4.750 11.839 1.00 12.40 H new ATOM 0 HA ASP B 61 -14.174 -4.144 14.600 1.00 10.32 H new ATOM 0 HB2 ASP B 61 -12.977 -2.142 13.916 1.00 71.23 H new ATOM 0 HB3 ASP B 61 -13.770 -2.139 12.353 1.00 71.23 H new ATOM 2530 N GLN B 62 -16.594 -4.145 13.732 1.00 71.21 N ATOM 2531 CA GLN B 62 -17.976 -4.494 13.345 1.00 3.31 C ATOM 2532 C GLN B 62 -18.400 -3.747 12.063 1.00 3.14 C ATOM 2533 O GLN B 62 -18.995 -4.333 11.156 1.00 1.03 O ATOM 2534 CB GLN B 62 -18.940 -4.166 14.517 1.00 52.31 C ATOM 2535 CG GLN B 62 -18.602 -4.879 15.846 1.00 11.22 C ATOM 2536 CD GLN B 62 -19.525 -4.519 17.026 1.00 51.13 C ATOM 2537 OE1 GLN B 62 -19.774 -5.345 17.907 1.00 60.21 O ATOM 2538 NE2 GLN B 62 -20.018 -3.282 17.078 1.00 74.45 N ATOM 0 H GLN B 62 -16.525 -3.756 14.672 1.00 71.21 H new ATOM 0 HA GLN B 62 -18.022 -5.562 13.132 1.00 3.31 H new ATOM 0 HB2 GLN B 62 -18.933 -3.089 14.685 1.00 52.31 H new ATOM 0 HB3 GLN B 62 -19.954 -4.436 14.223 1.00 52.31 H new ATOM 0 HG2 GLN B 62 -18.645 -5.956 15.685 1.00 11.22 H new ATOM 0 HG3 GLN B 62 -17.575 -4.638 16.120 1.00 11.22 H new ATOM 0 HE21 GLN B 62 -19.799 -2.614 16.338 1.00 74.45 H new ATOM 0 HE22 GLN B 62 -20.614 -3.003 17.857 1.00 74.45 H new ATOM 2547 N ARG B 63 -18.055 -2.448 12.003 1.00 73.42 N ATOM 2548 CA ARG B 63 -18.370 -1.576 10.853 1.00 63.01 C ATOM 2549 C ARG B 63 -17.323 -1.740 9.734 1.00 13.22 C ATOM 2550 O ARG B 63 -17.624 -1.481 8.568 1.00 12.41 O ATOM 2551 CB ARG B 63 -18.496 -0.088 11.276 1.00 70.25 C ATOM 2552 CG ARG B 63 -18.963 0.843 10.124 1.00 13.31 C ATOM 2553 CD ARG B 63 -19.228 2.286 10.562 1.00 22.24 C ATOM 2554 NE ARG B 63 -20.383 2.397 11.463 1.00 55.23 N ATOM 2555 CZ ARG B 63 -21.600 2.849 11.114 1.00 63.43 C ATOM 2556 NH1 ARG B 63 -21.861 3.244 9.866 1.00 24.23 N ATOM 2557 NH2 ARG B 63 -22.549 2.906 12.030 1.00 64.02 N ATOM 0 H ARG B 63 -17.550 -1.972 12.750 1.00 73.42 H new ATOM 0 HA ARG B 63 -19.339 -1.889 10.465 1.00 63.01 H new ATOM 0 HB2 ARG B 63 -19.201 -0.012 12.104 1.00 70.25 H new ATOM 0 HB3 ARG B 63 -17.532 0.260 11.646 1.00 70.25 H new ATOM 0 HG2 ARG B 63 -18.205 0.845 9.341 1.00 13.31 H new ATOM 0 HG3 ARG B 63 -19.873 0.434 9.685 1.00 13.31 H new ATOM 0 HD2 ARG B 63 -18.343 2.679 11.061 1.00 22.24 H new ATOM 0 HD3 ARG B 63 -19.398 2.904 9.681 1.00 22.24 H new ATOM 0 HE ARG B 63 -20.251 2.108 12.432 1.00 55.23 H new ATOM 0 HH11 ARG B 63 -21.130 3.206 9.156 1.00 24.23 H new ATOM 0 HH12 ARG B 63 -22.792 3.584 9.623 1.00 24.23 H new ATOM 0 HH21 ARG B 63 -22.353 2.610 12.986 1.00 64.02 H new ATOM 0 HH22 ARG B 63 -23.478 3.247 11.782 1.00 64.02 H new ATOM 2571 N LEU B 64 -16.074 -2.127 10.100 1.00 44.11 N ATOM 2572 CA LEU B 64 -14.985 -2.368 9.112 1.00 64.25 C ATOM 2573 C LEU B 64 -15.441 -3.363 8.025 1.00 4.13 C ATOM 2574 O LEU B 64 -15.169 -3.166 6.845 1.00 13.33 O ATOM 2575 CB LEU B 64 -13.711 -2.925 9.793 1.00 2.12 C ATOM 2576 CG LEU B 64 -12.424 -3.000 8.892 1.00 21.21 C ATOM 2577 CD1 LEU B 64 -11.610 -1.693 8.936 1.00 43.03 C ATOM 2578 CD2 LEU B 64 -11.540 -4.201 9.252 1.00 21.42 C ATOM 0 H LEU B 64 -15.794 -2.279 11.069 1.00 44.11 H new ATOM 0 HA LEU B 64 -14.752 -1.405 8.657 1.00 64.25 H new ATOM 0 HB2 LEU B 64 -13.487 -2.305 10.661 1.00 2.12 H new ATOM 0 HB3 LEU B 64 -13.930 -3.926 10.164 1.00 2.12 H new ATOM 0 HG LEU B 64 -12.774 -3.139 7.869 1.00 21.21 H new ATOM 0 HD11 LEU B 64 -10.731 -1.790 8.299 1.00 43.03 H new ATOM 0 HD12 LEU B 64 -12.227 -0.868 8.579 1.00 43.03 H new ATOM 0 HD13 LEU B 64 -11.296 -1.494 9.961 1.00 43.03 H new ATOM 0 HD21 LEU B 64 -10.663 -4.214 8.605 1.00 21.42 H new ATOM 0 HD22 LEU B 64 -11.223 -4.121 10.292 1.00 21.42 H new ATOM 0 HD23 LEU B 64 -12.105 -5.123 9.115 1.00 21.42 H new ATOM 2590 N GLU B 65 -16.178 -4.403 8.467 1.00 41.23 N ATOM 2591 CA GLU B 65 -16.749 -5.452 7.597 1.00 71.21 C ATOM 2592 C GLU B 65 -17.749 -4.878 6.574 1.00 13.32 C ATOM 2593 O GLU B 65 -17.848 -5.378 5.454 1.00 53.04 O ATOM 2594 CB GLU B 65 -17.432 -6.528 8.467 1.00 32.12 C ATOM 2595 CG GLU B 65 -16.509 -7.161 9.516 1.00 0.22 C ATOM 2596 CD GLU B 65 -17.214 -8.251 10.320 1.00 14.15 C ATOM 2597 OE1 GLU B 65 -17.872 -7.928 11.331 1.00 23.35 O ATOM 2598 OE2 GLU B 65 -17.140 -9.435 9.924 1.00 14.14 O ATOM 0 H GLU B 65 -16.396 -4.540 9.454 1.00 41.23 H new ATOM 0 HA GLU B 65 -15.932 -5.898 7.030 1.00 71.21 H new ATOM 0 HB2 GLU B 65 -18.288 -6.082 8.973 1.00 32.12 H new ATOM 0 HB3 GLU B 65 -17.819 -7.313 7.818 1.00 32.12 H new ATOM 0 HG2 GLU B 65 -15.635 -7.584 9.021 1.00 0.22 H new ATOM 0 HG3 GLU B 65 -16.148 -6.388 10.194 1.00 0.22 H new ATOM 2605 N GLN B 66 -18.467 -3.819 6.979 1.00 21.44 N ATOM 2606 CA GLN B 66 -19.403 -3.077 6.106 1.00 21.21 C ATOM 2607 C GLN B 66 -18.626 -2.317 5.011 1.00 43.21 C ATOM 2608 O GLN B 66 -19.073 -2.227 3.862 1.00 11.14 O ATOM 2609 CB GLN B 66 -20.246 -2.091 6.959 1.00 53.52 C ATOM 2610 CG GLN B 66 -21.355 -1.340 6.197 1.00 32.14 C ATOM 2611 CD GLN B 66 -22.085 -0.270 7.027 1.00 4.31 C ATOM 2612 OE1 GLN B 66 -22.556 0.733 6.485 1.00 71.02 O ATOM 2613 NE2 GLN B 66 -22.209 -0.467 8.337 1.00 43.24 N ATOM 0 H GLN B 66 -18.417 -3.447 7.928 1.00 21.44 H new ATOM 0 HA GLN B 66 -20.074 -3.785 5.620 1.00 21.21 H new ATOM 0 HB2 GLN B 66 -20.703 -2.645 7.779 1.00 53.52 H new ATOM 0 HB3 GLN B 66 -19.575 -1.358 7.405 1.00 53.52 H new ATOM 0 HG2 GLN B 66 -20.918 -0.865 5.319 1.00 32.14 H new ATOM 0 HG3 GLN B 66 -22.086 -2.064 5.837 1.00 32.14 H new ATOM 0 HE21 GLN B 66 -21.813 -1.303 8.767 1.00 43.24 H new ATOM 0 HE22 GLN B 66 -22.700 0.218 8.911 1.00 43.24 H new ATOM 2622 N MET B 67 -17.441 -1.797 5.386 1.00 50.12 N ATOM 2623 CA MET B 67 -16.540 -1.086 4.453 1.00 0.42 C ATOM 2624 C MET B 67 -15.892 -2.091 3.475 1.00 22.32 C ATOM 2625 O MET B 67 -15.619 -1.758 2.322 1.00 70.11 O ATOM 2626 CB MET B 67 -15.442 -0.302 5.231 1.00 70.22 C ATOM 2627 CG MET B 67 -15.966 0.502 6.433 1.00 3.34 C ATOM 2628 SD MET B 67 -17.311 1.637 6.011 1.00 60.24 S ATOM 2629 CE MET B 67 -16.464 2.853 5.007 1.00 43.33 C ATOM 0 H MET B 67 -17.081 -1.856 6.339 1.00 50.12 H new ATOM 0 HA MET B 67 -17.130 -0.367 3.884 1.00 0.42 H new ATOM 0 HB2 MET B 67 -14.689 -1.008 5.582 1.00 70.22 H new ATOM 0 HB3 MET B 67 -14.943 0.380 4.543 1.00 70.22 H new ATOM 0 HG2 MET B 67 -16.313 -0.191 7.200 1.00 3.34 H new ATOM 0 HG3 MET B 67 -15.143 1.071 6.866 1.00 3.34 H new ATOM 0 HE1 MET B 67 -16.675 3.852 5.390 1.00 43.33 H new ATOM 0 HE2 MET B 67 -15.390 2.670 5.043 1.00 43.33 H new ATOM 0 HE3 MET B 67 -16.811 2.779 3.976 1.00 43.33 H new ATOM 2639 N ILE B 68 -15.673 -3.329 3.977 1.00 34.43 N ATOM 2640 CA ILE B 68 -15.178 -4.480 3.193 1.00 1.24 C ATOM 2641 C ILE B 68 -16.274 -4.961 2.200 1.00 45.42 C ATOM 2642 O ILE B 68 -15.975 -5.368 1.069 1.00 15.21 O ATOM 2643 CB ILE B 68 -14.727 -5.659 4.155 1.00 42.35 C ATOM 2644 CG1 ILE B 68 -13.539 -5.218 5.079 1.00 75.52 C ATOM 2645 CG2 ILE B 68 -14.353 -6.938 3.369 1.00 15.02 C ATOM 2646 CD1 ILE B 68 -13.165 -6.223 6.166 1.00 12.13 C ATOM 0 H ILE B 68 -15.839 -3.558 4.957 1.00 34.43 H new ATOM 0 HA ILE B 68 -14.307 -4.165 2.619 1.00 1.24 H new ATOM 0 HB ILE B 68 -15.585 -5.896 4.785 1.00 42.35 H new ATOM 0 HG12 ILE B 68 -12.663 -5.034 4.457 1.00 75.52 H new ATOM 0 HG13 ILE B 68 -13.798 -4.271 5.553 1.00 75.52 H new ATOM 0 HG21 ILE B 68 -14.051 -7.719 4.067 1.00 15.02 H new ATOM 0 HG22 ILE B 68 -15.215 -7.278 2.796 1.00 15.02 H new ATOM 0 HG23 ILE B 68 -13.529 -6.720 2.690 1.00 15.02 H new ATOM 0 HD11 ILE B 68 -12.335 -5.831 6.754 1.00 12.13 H new ATOM 0 HD12 ILE B 68 -14.023 -6.391 6.817 1.00 12.13 H new ATOM 0 HD13 ILE B 68 -12.870 -7.165 5.704 1.00 12.13 H new ATOM 2658 N SER B 69 -17.545 -4.881 2.633 1.00 12.33 N ATOM 2659 CA SER B 69 -18.702 -5.227 1.789 1.00 41.22 C ATOM 2660 C SER B 69 -18.889 -4.186 0.669 1.00 60.02 C ATOM 2661 O SER B 69 -19.219 -4.542 -0.465 1.00 45.33 O ATOM 2662 CB SER B 69 -19.982 -5.332 2.653 1.00 40.43 C ATOM 2663 OG SER B 69 -19.839 -6.323 3.659 1.00 14.14 O ATOM 0 H SER B 69 -17.798 -4.576 3.573 1.00 12.33 H new ATOM 0 HA SER B 69 -18.515 -6.195 1.325 1.00 41.22 H new ATOM 0 HB2 SER B 69 -20.193 -4.368 3.115 1.00 40.43 H new ATOM 0 HB3 SER B 69 -20.834 -5.574 2.018 1.00 40.43 H new ATOM 0 HG SER B 69 -19.157 -6.039 4.303 1.00 14.14 H new ATOM 2669 N GLN B 70 -18.639 -2.900 1.004 1.00 13.33 N ATOM 2670 CA GLN B 70 -18.785 -1.774 0.067 1.00 30.23 C ATOM 2671 C GLN B 70 -17.689 -1.859 -1.010 1.00 14.11 C ATOM 2672 O GLN B 70 -17.985 -1.816 -2.209 1.00 55.12 O ATOM 2673 CB GLN B 70 -18.719 -0.414 0.846 1.00 72.14 C ATOM 2674 CG GLN B 70 -19.240 0.846 0.090 1.00 13.02 C ATOM 2675 CD GLN B 70 -18.375 1.360 -1.075 1.00 43.31 C ATOM 2676 OE1 GLN B 70 -18.890 1.891 -2.059 1.00 75.44 O ATOM 2677 NE2 GLN B 70 -17.057 1.239 -0.972 1.00 52.12 N ATOM 0 H GLN B 70 -18.330 -2.618 1.934 1.00 13.33 H new ATOM 0 HA GLN B 70 -19.756 -1.827 -0.426 1.00 30.23 H new ATOM 0 HB2 GLN B 70 -19.292 -0.520 1.767 1.00 72.14 H new ATOM 0 HB3 GLN B 70 -17.683 -0.235 1.134 1.00 72.14 H new ATOM 0 HG2 GLN B 70 -20.234 0.624 -0.297 1.00 13.02 H new ATOM 0 HG3 GLN B 70 -19.352 1.654 0.813 1.00 13.02 H new ATOM 0 HE21 GLN B 70 -16.648 0.796 -0.149 1.00 52.12 H new ATOM 0 HE22 GLN B 70 -16.453 1.589 -1.716 1.00 52.12 H new ATOM 2686 N ILE B 71 -16.423 -2.008 -0.550 1.00 60.31 N ATOM 2687 CA ILE B 71 -15.221 -1.984 -1.419 1.00 65.22 C ATOM 2688 C ILE B 71 -15.232 -3.140 -2.446 1.00 23.44 C ATOM 2689 O ILE B 71 -14.760 -2.982 -3.578 1.00 24.40 O ATOM 2690 CB ILE B 71 -13.886 -2.010 -0.569 1.00 24.14 C ATOM 2691 CG1 ILE B 71 -12.642 -1.645 -1.440 1.00 4.41 C ATOM 2692 CG2 ILE B 71 -13.676 -3.366 0.131 1.00 33.14 C ATOM 2693 CD1 ILE B 71 -11.312 -1.812 -0.731 1.00 34.45 C ATOM 0 H ILE B 71 -16.206 -2.149 0.437 1.00 60.31 H new ATOM 0 HA ILE B 71 -15.252 -1.045 -1.971 1.00 65.22 H new ATOM 0 HB ILE B 71 -13.994 -1.249 0.204 1.00 24.14 H new ATOM 0 HG12 ILE B 71 -12.644 -2.268 -2.334 1.00 4.41 H new ATOM 0 HG13 ILE B 71 -12.736 -0.611 -1.772 1.00 4.41 H new ATOM 0 HG21 ILE B 71 -12.749 -3.340 0.703 1.00 33.14 H new ATOM 0 HG22 ILE B 71 -14.512 -3.562 0.803 1.00 33.14 H new ATOM 0 HG23 ILE B 71 -13.619 -4.157 -0.617 1.00 33.14 H new ATOM 0 HD11 ILE B 71 -10.502 -1.537 -1.407 1.00 34.45 H new ATOM 0 HD12 ILE B 71 -11.285 -1.168 0.148 1.00 34.45 H new ATOM 0 HD13 ILE B 71 -11.191 -2.851 -0.424 1.00 34.45 H new ATOM 2705 N ASP B 72 -15.825 -4.280 -2.033 1.00 20.03 N ATOM 2706 CA ASP B 72 -15.974 -5.482 -2.868 1.00 42.15 C ATOM 2707 C ASP B 72 -16.765 -5.181 -4.157 1.00 32.11 C ATOM 2708 O ASP B 72 -16.486 -5.754 -5.213 1.00 32.12 O ATOM 2709 CB ASP B 72 -16.672 -6.595 -2.037 1.00 51.11 C ATOM 2710 CG ASP B 72 -17.106 -7.809 -2.881 1.00 45.22 C ATOM 2711 OD1 ASP B 72 -16.231 -8.509 -3.432 1.00 14.35 O ATOM 2712 OD2 ASP B 72 -18.328 -8.068 -3.007 1.00 10.02 O ATOM 0 H ASP B 72 -16.217 -4.389 -1.098 1.00 20.03 H new ATOM 0 HA ASP B 72 -14.985 -5.823 -3.174 1.00 42.15 H new ATOM 0 HB2 ASP B 72 -15.994 -6.931 -1.252 1.00 51.11 H new ATOM 0 HB3 ASP B 72 -17.548 -6.174 -1.543 1.00 51.11 H new ATOM 2717 N LYS B 73 -17.736 -4.253 -4.057 1.00 75.32 N ATOM 2718 CA LYS B 73 -18.671 -3.942 -5.158 1.00 41.25 C ATOM 2719 C LYS B 73 -18.032 -3.010 -6.212 1.00 33.25 C ATOM 2720 O LYS B 73 -18.610 -2.796 -7.286 1.00 12.42 O ATOM 2721 CB LYS B 73 -19.982 -3.323 -4.596 1.00 33.35 C ATOM 2722 CG LYS B 73 -20.592 -4.086 -3.392 1.00 13.33 C ATOM 2723 CD LYS B 73 -20.778 -5.604 -3.645 1.00 70.30 C ATOM 2724 CE LYS B 73 -21.279 -6.352 -2.397 1.00 3.33 C ATOM 2725 NZ LYS B 73 -21.285 -7.828 -2.603 1.00 31.23 N ATOM 0 H LYS B 73 -17.895 -3.699 -3.215 1.00 75.32 H new ATOM 0 HA LYS B 73 -18.912 -4.879 -5.661 1.00 41.25 H new ATOM 0 HB2 LYS B 73 -19.782 -2.295 -4.294 1.00 33.35 H new ATOM 0 HB3 LYS B 73 -20.721 -3.283 -5.396 1.00 33.35 H new ATOM 0 HG2 LYS B 73 -19.949 -3.948 -2.522 1.00 13.33 H new ATOM 0 HG3 LYS B 73 -21.559 -3.646 -3.147 1.00 13.33 H new ATOM 0 HD2 LYS B 73 -21.487 -5.749 -4.460 1.00 70.30 H new ATOM 0 HD3 LYS B 73 -19.830 -6.034 -3.966 1.00 70.30 H new ATOM 0 HE2 LYS B 73 -20.644 -6.106 -1.546 1.00 3.33 H new ATOM 0 HE3 LYS B 73 -22.286 -6.015 -2.151 1.00 3.33 H new ATOM 0 HZ1 LYS B 73 -21.660 -8.296 -1.753 1.00 31.23 H new ATOM 0 HZ2 LYS B 73 -21.884 -8.062 -3.420 1.00 31.23 H new ATOM 0 HZ3 LYS B 73 -20.315 -8.158 -2.779 1.00 31.23 H new ATOM 2739 N LEU B 74 -16.841 -2.462 -5.901 1.00 51.42 N ATOM 2740 CA LEU B 74 -16.060 -1.638 -6.847 1.00 72.31 C ATOM 2741 C LEU B 74 -15.293 -2.554 -7.817 1.00 71.54 C ATOM 2742 O LEU B 74 -14.763 -3.592 -7.405 1.00 63.23 O ATOM 2743 CB LEU B 74 -15.070 -0.682 -6.105 1.00 62.41 C ATOM 2744 CG LEU B 74 -15.690 0.573 -5.388 1.00 73.33 C ATOM 2745 CD1 LEU B 74 -16.548 1.413 -6.356 1.00 2.33 C ATOM 2746 CD2 LEU B 74 -16.496 0.189 -4.138 1.00 75.21 C ATOM 0 H LEU B 74 -16.394 -2.577 -4.991 1.00 51.42 H new ATOM 0 HA LEU B 74 -16.756 -1.013 -7.406 1.00 72.31 H new ATOM 0 HB2 LEU B 74 -14.531 -1.266 -5.359 1.00 62.41 H new ATOM 0 HB3 LEU B 74 -14.334 -0.330 -6.828 1.00 62.41 H new ATOM 0 HG LEU B 74 -14.852 1.187 -5.059 1.00 73.33 H new ATOM 0 HD11 LEU B 74 -16.960 2.272 -5.826 1.00 2.33 H new ATOM 0 HD12 LEU B 74 -15.929 1.760 -7.183 1.00 2.33 H new ATOM 0 HD13 LEU B 74 -17.362 0.802 -6.744 1.00 2.33 H new ATOM 0 HD21 LEU B 74 -16.904 1.089 -3.678 1.00 75.21 H new ATOM 0 HD22 LEU B 74 -17.312 -0.476 -4.421 1.00 75.21 H new ATOM 0 HD23 LEU B 74 -15.845 -0.319 -3.427 1.00 75.21 H new ATOM 2758 N GLU B 75 -15.212 -2.131 -9.094 1.00 11.04 N ATOM 2759 CA GLU B 75 -14.576 -2.912 -10.185 1.00 34.43 C ATOM 2760 C GLU B 75 -13.050 -3.049 -9.984 1.00 54.54 C ATOM 2761 O GLU B 75 -12.397 -3.847 -10.667 1.00 33.34 O ATOM 2762 CB GLU B 75 -14.878 -2.255 -11.553 1.00 45.22 C ATOM 2763 CG GLU B 75 -16.375 -2.050 -11.852 1.00 1.31 C ATOM 2764 CD GLU B 75 -16.624 -1.394 -13.217 1.00 34.44 C ATOM 2765 OE1 GLU B 75 -16.533 -0.149 -13.311 1.00 34.13 O ATOM 2766 OE2 GLU B 75 -16.878 -2.115 -14.207 1.00 4.30 O ATOM 0 H GLU B 75 -15.586 -1.234 -9.404 1.00 11.04 H new ATOM 0 HA GLU B 75 -15.000 -3.916 -10.163 1.00 34.43 H new ATOM 0 HB2 GLU B 75 -14.377 -1.288 -11.595 1.00 45.22 H new ATOM 0 HB3 GLU B 75 -14.445 -2.872 -12.341 1.00 45.22 H new ATOM 0 HG2 GLU B 75 -16.883 -3.014 -11.819 1.00 1.31 H new ATOM 0 HG3 GLU B 75 -16.816 -1.431 -11.071 1.00 1.31 H new ATOM 2773 N ASP B 76 -12.502 -2.232 -9.064 1.00 21.13 N ATOM 2774 CA ASP B 76 -11.103 -2.320 -8.606 1.00 11.30 C ATOM 2775 C ASP B 76 -10.843 -3.721 -8.029 1.00 63.22 C ATOM 2776 O ASP B 76 -9.982 -4.453 -8.513 1.00 70.34 O ATOM 2777 CB ASP B 76 -10.830 -1.231 -7.518 1.00 43.30 C ATOM 2778 CG ASP B 76 -11.239 0.185 -7.966 1.00 44.34 C ATOM 2779 OD1 ASP B 76 -12.446 0.509 -7.894 1.00 1.42 O ATOM 2780 OD2 ASP B 76 -10.368 0.974 -8.402 1.00 11.32 O ATOM 0 H ASP B 76 -13.026 -1.483 -8.612 1.00 21.13 H new ATOM 0 HA ASP B 76 -10.433 -2.148 -9.448 1.00 11.30 H new ATOM 0 HB2 ASP B 76 -11.373 -1.489 -6.609 1.00 43.30 H new ATOM 0 HB3 ASP B 76 -9.769 -1.234 -7.267 1.00 43.30 H new ATOM 2785 N VAL B 77 -11.692 -4.098 -7.059 1.00 53.11 N ATOM 2786 CA VAL B 77 -11.598 -5.364 -6.328 1.00 3.43 C ATOM 2787 C VAL B 77 -12.190 -6.510 -7.172 1.00 62.11 C ATOM 2788 O VAL B 77 -13.408 -6.599 -7.368 1.00 10.35 O ATOM 2789 CB VAL B 77 -12.322 -5.236 -4.928 1.00 63.25 C ATOM 2790 CG1 VAL B 77 -12.416 -6.585 -4.180 1.00 64.22 C ATOM 2791 CG2 VAL B 77 -11.611 -4.184 -4.050 1.00 53.24 C ATOM 0 H VAL B 77 -12.476 -3.518 -6.758 1.00 53.11 H new ATOM 0 HA VAL B 77 -10.550 -5.597 -6.142 1.00 3.43 H new ATOM 0 HB VAL B 77 -13.343 -4.912 -5.127 1.00 63.25 H new ATOM 0 HG11 VAL B 77 -12.922 -6.437 -3.226 1.00 64.22 H new ATOM 0 HG12 VAL B 77 -12.979 -7.297 -4.783 1.00 64.22 H new ATOM 0 HG13 VAL B 77 -11.413 -6.973 -4.003 1.00 64.22 H new ATOM 0 HG21 VAL B 77 -12.121 -4.107 -3.090 1.00 53.24 H new ATOM 0 HG22 VAL B 77 -10.576 -4.485 -3.888 1.00 53.24 H new ATOM 0 HG23 VAL B 77 -11.634 -3.216 -4.551 1.00 53.24 H new ATOM 2801 N VAL B 78 -11.286 -7.337 -7.729 1.00 21.21 N ATOM 2802 CA VAL B 78 -11.625 -8.589 -8.442 1.00 51.33 C ATOM 2803 C VAL B 78 -12.007 -9.676 -7.416 1.00 63.14 C ATOM 2804 O VAL B 78 -12.988 -10.408 -7.591 1.00 21.31 O ATOM 2805 CB VAL B 78 -10.409 -9.101 -9.323 1.00 2.02 C ATOM 2806 CG1 VAL B 78 -10.822 -10.250 -10.268 1.00 21.11 C ATOM 2807 CG2 VAL B 78 -9.753 -7.946 -10.113 1.00 25.33 C ATOM 0 H VAL B 78 -10.283 -7.154 -7.697 1.00 21.21 H new ATOM 0 HA VAL B 78 -12.465 -8.385 -9.106 1.00 51.33 H new ATOM 0 HB VAL B 78 -9.666 -9.498 -8.631 1.00 2.02 H new ATOM 0 HG11 VAL B 78 -9.959 -10.569 -10.852 1.00 21.11 H new ATOM 0 HG12 VAL B 78 -11.193 -11.089 -9.680 1.00 21.11 H new ATOM 0 HG13 VAL B 78 -11.607 -9.904 -10.941 1.00 21.11 H new ATOM 0 HG21 VAL B 78 -8.924 -8.335 -10.705 1.00 25.33 H new ATOM 0 HG22 VAL B 78 -10.491 -7.493 -10.775 1.00 25.33 H new ATOM 0 HG23 VAL B 78 -9.381 -7.194 -9.417 1.00 25.33 H new ATOM 2817 N LYS B 79 -11.211 -9.751 -6.330 1.00 21.44 N ATOM 2818 CA LYS B 79 -11.424 -10.693 -5.216 1.00 5.21 C ATOM 2819 C LYS B 79 -11.206 -9.959 -3.895 1.00 20.30 C ATOM 2820 O LYS B 79 -10.312 -9.111 -3.792 1.00 32.23 O ATOM 2821 CB LYS B 79 -10.439 -11.900 -5.258 1.00 62.42 C ATOM 2822 CG LYS B 79 -10.553 -12.824 -6.485 1.00 42.32 C ATOM 2823 CD LYS B 79 -9.462 -13.930 -6.486 1.00 34.05 C ATOM 2824 CE LYS B 79 -9.621 -14.943 -7.631 1.00 24.33 C ATOM 2825 NZ LYS B 79 -10.887 -15.714 -7.526 1.00 11.45 N ATOM 0 H LYS B 79 -10.395 -9.153 -6.202 1.00 21.44 H new ATOM 0 HA LYS B 79 -12.441 -11.075 -5.307 1.00 5.21 H new ATOM 0 HB2 LYS B 79 -9.421 -11.514 -5.213 1.00 62.42 H new ATOM 0 HB3 LYS B 79 -10.593 -12.500 -4.361 1.00 62.42 H new ATOM 0 HG2 LYS B 79 -11.539 -13.288 -6.499 1.00 42.32 H new ATOM 0 HG3 LYS B 79 -10.468 -12.230 -7.395 1.00 42.32 H new ATOM 0 HD2 LYS B 79 -8.480 -13.462 -6.559 1.00 34.05 H new ATOM 0 HD3 LYS B 79 -9.492 -14.461 -5.534 1.00 34.05 H new ATOM 0 HE2 LYS B 79 -9.596 -14.417 -8.585 1.00 24.33 H new ATOM 0 HE3 LYS B 79 -8.776 -15.632 -7.624 1.00 24.33 H new ATOM 0 HZ1 LYS B 79 -10.883 -16.485 -8.224 1.00 11.45 H new ATOM 0 HZ2 LYS B 79 -10.972 -16.114 -6.570 1.00 11.45 H new ATOM 0 HZ3 LYS B 79 -11.694 -15.084 -7.711 1.00 11.45 H new ATOM 2839 N VAL B 80 -12.022 -10.303 -2.899 1.00 75.31 N ATOM 2840 CA VAL B 80 -11.810 -9.912 -1.499 1.00 5.44 C ATOM 2841 C VAL B 80 -11.613 -11.204 -0.685 1.00 22.25 C ATOM 2842 O VAL B 80 -12.368 -12.174 -0.852 1.00 22.24 O ATOM 2843 CB VAL B 80 -13.003 -9.043 -0.925 1.00 55.20 C ATOM 2844 CG1 VAL B 80 -14.364 -9.778 -0.992 1.00 52.22 C ATOM 2845 CG2 VAL B 80 -12.694 -8.556 0.510 1.00 41.33 C ATOM 0 H VAL B 80 -12.860 -10.868 -3.040 1.00 75.31 H new ATOM 0 HA VAL B 80 -10.929 -9.275 -1.428 1.00 5.44 H new ATOM 0 HB VAL B 80 -13.094 -8.169 -1.569 1.00 55.20 H new ATOM 0 HG11 VAL B 80 -15.145 -9.135 -0.585 1.00 52.22 H new ATOM 0 HG12 VAL B 80 -14.596 -10.020 -2.029 1.00 52.22 H new ATOM 0 HG13 VAL B 80 -14.310 -10.697 -0.409 1.00 52.22 H new ATOM 0 HG21 VAL B 80 -13.529 -7.962 0.880 1.00 41.33 H new ATOM 0 HG22 VAL B 80 -12.544 -9.417 1.162 1.00 41.33 H new ATOM 0 HG23 VAL B 80 -11.791 -7.946 0.501 1.00 41.33 H new ATOM 2855 N GLN B 81 -10.580 -11.236 0.162 1.00 60.44 N ATOM 2856 CA GLN B 81 -10.250 -12.429 0.967 1.00 54.11 C ATOM 2857 C GLN B 81 -9.748 -11.990 2.350 1.00 54.22 C ATOM 2858 O GLN B 81 -9.112 -10.940 2.476 1.00 74.13 O ATOM 2859 CB GLN B 81 -9.200 -13.287 0.208 1.00 72.50 C ATOM 2860 CG GLN B 81 -8.881 -14.647 0.856 1.00 13.11 C ATOM 2861 CD GLN B 81 -7.951 -15.506 0.004 1.00 13.25 C ATOM 2862 OE1 GLN B 81 -8.403 -16.307 -0.819 1.00 52.43 O ATOM 2863 NE2 GLN B 81 -6.649 -15.337 0.169 1.00 21.44 N ATOM 0 H GLN B 81 -9.951 -10.447 0.313 1.00 60.44 H new ATOM 0 HA GLN B 81 -11.136 -13.045 1.118 1.00 54.11 H new ATOM 0 HB2 GLN B 81 -9.559 -13.460 -0.807 1.00 72.50 H new ATOM 0 HB3 GLN B 81 -8.276 -12.715 0.126 1.00 72.50 H new ATOM 0 HG2 GLN B 81 -8.423 -14.481 1.831 1.00 13.11 H new ATOM 0 HG3 GLN B 81 -9.811 -15.189 1.029 1.00 13.11 H new ATOM 0 HE21 GLN B 81 -6.305 -14.667 0.857 1.00 21.44 H new ATOM 0 HE22 GLN B 81 -5.990 -15.876 -0.392 1.00 21.44 H new ATOM 2872 N ARG B 82 -10.076 -12.776 3.389 1.00 12.10 N ATOM 2873 CA ARG B 82 -9.693 -12.480 4.781 1.00 11.24 C ATOM 2874 C ARG B 82 -8.708 -13.542 5.282 1.00 73.20 C ATOM 2875 O ARG B 82 -9.115 -14.603 5.765 1.00 50.43 O ATOM 2876 CB ARG B 82 -10.943 -12.422 5.700 1.00 73.54 C ATOM 2877 CG ARG B 82 -11.972 -11.343 5.310 1.00 71.44 C ATOM 2878 CD ARG B 82 -13.065 -11.161 6.372 1.00 43.54 C ATOM 2879 NE ARG B 82 -12.489 -10.787 7.678 1.00 43.05 N ATOM 2880 CZ ARG B 82 -13.110 -10.101 8.644 1.00 24.41 C ATOM 2881 NH1 ARG B 82 -14.362 -9.672 8.497 1.00 73.25 N ATOM 2882 NH2 ARG B 82 -12.475 -9.870 9.781 1.00 3.13 N ATOM 0 H ARG B 82 -10.615 -13.636 3.288 1.00 12.10 H new ATOM 0 HA ARG B 82 -9.211 -11.503 4.810 1.00 11.24 H new ATOM 0 HB2 ARG B 82 -11.433 -13.395 5.687 1.00 73.54 H new ATOM 0 HB3 ARG B 82 -10.617 -12.242 6.725 1.00 73.54 H new ATOM 0 HG2 ARG B 82 -11.458 -10.394 5.156 1.00 71.44 H new ATOM 0 HG3 ARG B 82 -12.434 -11.613 4.360 1.00 71.44 H new ATOM 0 HD2 ARG B 82 -13.765 -10.391 6.048 1.00 43.54 H new ATOM 0 HD3 ARG B 82 -13.633 -12.086 6.474 1.00 43.54 H new ATOM 0 HE ARG B 82 -11.529 -11.078 7.861 1.00 43.05 H new ATOM 0 HH11 ARG B 82 -14.869 -9.865 7.633 1.00 73.25 H new ATOM 0 HH12 ARG B 82 -14.814 -9.151 9.248 1.00 73.25 H new ATOM 0 HH21 ARG B 82 -11.524 -10.214 9.913 1.00 3.13 H new ATOM 0 HH22 ARG B 82 -12.937 -9.348 10.526 1.00 3.13 H new ATOM 2896 N ASN B 83 -7.409 -13.247 5.139 1.00 2.23 N ATOM 2897 CA ASN B 83 -6.313 -14.145 5.557 1.00 1.53 C ATOM 2898 C ASN B 83 -5.978 -13.866 7.035 1.00 34.23 C ATOM 2899 O ASN B 83 -6.182 -12.742 7.520 1.00 32.23 O ATOM 2900 CB ASN B 83 -5.038 -13.943 4.675 1.00 45.10 C ATOM 2901 CG ASN B 83 -5.282 -14.030 3.164 1.00 4.41 C ATOM 2902 OD1 ASN B 83 -6.350 -13.679 2.665 1.00 74.03 O ATOM 2903 ND2 ASN B 83 -4.298 -14.504 2.419 1.00 43.24 N ATOM 0 H ASN B 83 -7.082 -12.373 4.727 1.00 2.23 H new ATOM 0 HA ASN B 83 -6.640 -15.177 5.431 1.00 1.53 H new ATOM 0 HB2 ASN B 83 -4.606 -12.969 4.904 1.00 45.10 H new ATOM 0 HB3 ASN B 83 -4.298 -14.693 4.953 1.00 45.10 H new ATOM 0 HD21 ASN B 83 -4.416 -14.584 1.409 1.00 43.24 H new ATOM 0 HD22 ASN B 83 -3.421 -14.789 2.854 1.00 43.24 H new ATOM 2910 N GLN B 84 -5.468 -14.887 7.741 1.00 35.14 N ATOM 2911 CA GLN B 84 -5.126 -14.789 9.177 1.00 2.21 C ATOM 2912 C GLN B 84 -3.692 -14.262 9.317 1.00 2.21 C ATOM 2913 O GLN B 84 -2.830 -14.559 8.475 1.00 74.21 O ATOM 2914 CB GLN B 84 -5.278 -16.179 9.858 1.00 32.31 C ATOM 2915 CG GLN B 84 -6.628 -16.857 9.570 1.00 13.43 C ATOM 2916 CD GLN B 84 -6.800 -18.216 10.251 1.00 11.21 C ATOM 2917 OE1 GLN B 84 -6.408 -19.253 9.715 1.00 63.53 O ATOM 2918 NE2 GLN B 84 -7.412 -18.232 11.417 1.00 14.24 N ATOM 0 H GLN B 84 -5.280 -15.805 7.337 1.00 35.14 H new ATOM 0 HA GLN B 84 -5.806 -14.097 9.673 1.00 2.21 H new ATOM 0 HB2 GLN B 84 -4.473 -16.831 9.519 1.00 32.31 H new ATOM 0 HB3 GLN B 84 -5.161 -16.062 10.935 1.00 32.31 H new ATOM 0 HG2 GLN B 84 -7.431 -16.196 9.894 1.00 13.43 H new ATOM 0 HG3 GLN B 84 -6.736 -16.986 8.493 1.00 13.43 H new ATOM 0 HE21 GLN B 84 -7.727 -17.359 11.840 1.00 14.24 H new ATOM 0 HE22 GLN B 84 -7.571 -19.118 11.897 1.00 14.24 H new ATOM 2927 N SER B 85 -3.458 -13.464 10.376 1.00 53.35 N ATOM 2928 CA SER B 85 -2.199 -12.737 10.569 1.00 71.21 C ATOM 2929 C SER B 85 -1.068 -13.666 11.020 1.00 30.14 C ATOM 2930 O SER B 85 -0.853 -13.904 12.217 1.00 74.23 O ATOM 2931 CB SER B 85 -2.404 -11.545 11.522 1.00 62.55 C ATOM 2932 OG SER B 85 -1.244 -10.730 11.620 1.00 61.11 O ATOM 0 H SER B 85 -4.139 -13.308 11.119 1.00 53.35 H new ATOM 0 HA SER B 85 -1.887 -12.333 9.606 1.00 71.21 H new ATOM 0 HB2 SER B 85 -3.241 -10.942 11.171 1.00 62.55 H new ATOM 0 HB3 SER B 85 -2.670 -11.915 12.512 1.00 62.55 H new ATOM 0 HG SER B 85 -1.229 -10.285 12.493 1.00 61.11 H new ATOM 2938 N ASP B 86 -0.399 -14.234 10.006 1.00 73.14 N ATOM 2939 CA ASP B 86 0.803 -15.039 10.154 1.00 5.13 C ATOM 2940 C ASP B 86 2.030 -14.097 10.150 1.00 73.32 C ATOM 2941 O ASP B 86 2.120 -13.226 9.281 1.00 63.34 O ATOM 2942 CB ASP B 86 0.848 -16.072 8.994 1.00 23.32 C ATOM 2943 CG ASP B 86 2.099 -16.964 8.975 1.00 22.22 C ATOM 2944 OD1 ASP B 86 2.393 -17.632 9.990 1.00 73.31 O ATOM 2945 OD2 ASP B 86 2.768 -17.047 7.924 1.00 25.01 O ATOM 0 H ASP B 86 -0.696 -14.138 9.035 1.00 73.14 H new ATOM 0 HA ASP B 86 0.808 -15.589 11.095 1.00 5.13 H new ATOM 0 HB2 ASP B 86 -0.034 -16.709 9.059 1.00 23.32 H new ATOM 0 HB3 ASP B 86 0.786 -15.537 8.047 1.00 23.32 H new ATOM 2950 N PRO B 87 2.971 -14.224 11.136 1.00 54.50 N ATOM 2951 CA PRO B 87 4.194 -13.367 11.201 1.00 43.22 C ATOM 2952 C PRO B 87 5.100 -13.524 9.960 1.00 10.41 C ATOM 2953 O PRO B 87 5.722 -12.561 9.498 1.00 35.45 O ATOM 2954 CB PRO B 87 4.901 -13.872 12.491 1.00 43.31 C ATOM 2955 CG PRO B 87 4.361 -15.256 12.702 1.00 62.32 C ATOM 2956 CD PRO B 87 2.921 -15.180 12.275 1.00 50.42 C ATOM 0 HA PRO B 87 3.957 -12.303 11.220 1.00 43.22 H new ATOM 0 HB2 PRO B 87 5.984 -13.883 12.371 1.00 43.31 H new ATOM 0 HB3 PRO B 87 4.681 -13.227 13.342 1.00 43.31 H new ATOM 0 HG2 PRO B 87 4.910 -15.989 12.110 1.00 62.32 H new ATOM 0 HG3 PRO B 87 4.448 -15.559 13.745 1.00 62.32 H new ATOM 0 HD2 PRO B 87 2.536 -16.153 11.971 1.00 50.42 H new ATOM 0 HD3 PRO B 87 2.278 -14.820 13.078 1.00 50.42 H new ATOM 2964 N THR B 88 5.143 -14.753 9.422 1.00 41.13 N ATOM 2965 CA THR B 88 5.986 -15.117 8.279 1.00 62.21 C ATOM 2966 C THR B 88 5.211 -15.018 6.944 1.00 31.42 C ATOM 2967 O THR B 88 5.746 -15.409 5.901 1.00 40.21 O ATOM 2968 CB THR B 88 6.567 -16.563 8.484 1.00 25.34 C ATOM 2969 OG1 THR B 88 5.503 -17.489 8.767 1.00 24.54 O ATOM 2970 CG2 THR B 88 7.588 -16.619 9.636 1.00 20.12 C ATOM 0 H THR B 88 4.585 -15.530 9.775 1.00 41.13 H new ATOM 0 HA THR B 88 6.811 -14.407 8.224 1.00 62.21 H new ATOM 0 HB THR B 88 7.074 -16.836 7.559 1.00 25.34 H new ATOM 0 HG1 THR B 88 4.661 -17.139 8.409 1.00 24.54 H new ATOM 0 HG21 THR B 88 7.963 -17.637 9.741 1.00 20.12 H new ATOM 0 HG22 THR B 88 8.419 -15.947 9.419 1.00 20.12 H new ATOM 0 HG23 THR B 88 7.106 -16.312 10.564 1.00 20.12 H new ATOM 2978 N MET B 89 3.965 -14.460 6.994 1.00 72.42 N ATOM 2979 CA MET B 89 3.094 -14.263 5.808 1.00 53.01 C ATOM 2980 C MET B 89 3.815 -13.478 4.705 1.00 71.42 C ATOM 2981 O MET B 89 3.715 -13.835 3.536 1.00 23.13 O ATOM 2982 CB MET B 89 1.779 -13.524 6.199 1.00 11.04 C ATOM 2983 CG MET B 89 0.795 -13.288 5.036 1.00 42.21 C ATOM 2984 SD MET B 89 0.306 -14.827 4.223 1.00 2.00 S ATOM 2985 CE MET B 89 -0.735 -14.237 2.885 1.00 13.40 C ATOM 0 H MET B 89 3.541 -14.135 7.863 1.00 72.42 H new ATOM 0 HA MET B 89 2.847 -15.253 5.424 1.00 53.01 H new ATOM 0 HB2 MET B 89 1.272 -14.100 6.973 1.00 11.04 H new ATOM 0 HB3 MET B 89 2.038 -12.560 6.638 1.00 11.04 H new ATOM 0 HG2 MET B 89 -0.093 -12.781 5.413 1.00 42.21 H new ATOM 0 HG3 MET B 89 1.255 -12.624 4.304 1.00 42.21 H new ATOM 0 HE1 MET B 89 -1.101 -15.086 2.307 1.00 13.40 H new ATOM 0 HE2 MET B 89 -1.581 -13.687 3.297 1.00 13.40 H new ATOM 0 HE3 MET B 89 -0.156 -13.579 2.237 1.00 13.40 H new ATOM 2995 N PHE B 90 4.566 -12.430 5.117 1.00 52.51 N ATOM 2996 CA PHE B 90 5.318 -11.544 4.192 1.00 21.52 C ATOM 2997 C PHE B 90 6.310 -12.351 3.340 1.00 22.14 C ATOM 2998 O PHE B 90 6.370 -12.193 2.119 1.00 33.52 O ATOM 2999 CB PHE B 90 6.105 -10.455 4.970 1.00 42.13 C ATOM 3000 CG PHE B 90 5.256 -9.588 5.897 1.00 32.21 C ATOM 3001 CD1 PHE B 90 4.645 -8.423 5.430 1.00 12.54 C ATOM 3002 CD2 PHE B 90 5.079 -9.936 7.241 1.00 11.15 C ATOM 3003 CE1 PHE B 90 3.887 -7.635 6.275 1.00 15.03 C ATOM 3004 CE2 PHE B 90 4.321 -9.148 8.081 1.00 32.12 C ATOM 3005 CZ PHE B 90 3.727 -7.999 7.598 1.00 11.43 C ATOM 0 H PHE B 90 4.669 -12.173 6.099 1.00 52.51 H new ATOM 0 HA PHE B 90 4.583 -11.066 3.544 1.00 21.52 H new ATOM 0 HB2 PHE B 90 6.882 -10.941 5.561 1.00 42.13 H new ATOM 0 HB3 PHE B 90 6.609 -9.808 4.252 1.00 42.13 H new ATOM 0 HD1 PHE B 90 4.766 -8.134 4.396 1.00 12.54 H new ATOM 0 HD2 PHE B 90 5.542 -10.833 7.625 1.00 11.15 H new ATOM 0 HE1 PHE B 90 3.420 -6.736 5.902 1.00 15.03 H new ATOM 0 HE2 PHE B 90 4.192 -9.429 9.116 1.00 32.12 H new ATOM 0 HZ PHE B 90 3.135 -7.382 8.257 1.00 11.43 H new ATOM 3015 N ASN B 91 7.071 -13.223 4.020 1.00 21.31 N ATOM 3016 CA ASN B 91 8.092 -14.063 3.380 1.00 54.24 C ATOM 3017 C ASN B 91 7.434 -15.203 2.575 1.00 4.12 C ATOM 3018 O ASN B 91 7.969 -15.617 1.547 1.00 60.20 O ATOM 3019 CB ASN B 91 9.071 -14.652 4.433 1.00 73.35 C ATOM 3020 CG ASN B 91 10.302 -15.309 3.790 1.00 53.32 C ATOM 3021 OD1 ASN B 91 10.823 -14.815 2.784 1.00 42.21 O ATOM 3022 ND2 ASN B 91 10.760 -16.423 4.340 1.00 34.35 N ATOM 0 H ASN B 91 6.995 -13.364 5.027 1.00 21.31 H new ATOM 0 HA ASN B 91 8.660 -13.432 2.696 1.00 54.24 H new ATOM 0 HB2 ASN B 91 9.397 -13.858 5.105 1.00 73.35 H new ATOM 0 HB3 ASN B 91 8.546 -15.389 5.040 1.00 73.35 H new ATOM 0 HD21 ASN B 91 11.565 -16.899 3.933 1.00 34.35 H new ATOM 0 HD22 ASN B 91 10.308 -16.805 5.170 1.00 34.35 H new ATOM 3029 N LYS B 92 6.250 -15.662 3.053 1.00 0.53 N ATOM 3030 CA LYS B 92 5.496 -16.800 2.474 1.00 3.21 C ATOM 3031 C LYS B 92 5.255 -16.606 0.968 1.00 12.12 C ATOM 3032 O LYS B 92 5.647 -17.445 0.143 1.00 14.32 O ATOM 3033 CB LYS B 92 4.128 -16.966 3.207 1.00 21.02 C ATOM 3034 CG LYS B 92 3.340 -18.251 2.845 1.00 52.23 C ATOM 3035 CD LYS B 92 1.871 -18.238 3.335 1.00 62.24 C ATOM 3036 CE LYS B 92 1.725 -17.932 4.839 1.00 30.23 C ATOM 3037 NZ LYS B 92 2.495 -18.871 5.694 1.00 3.42 N ATOM 0 H LYS B 92 5.787 -15.246 3.861 1.00 0.53 H new ATOM 0 HA LYS B 92 6.096 -17.700 2.611 1.00 3.21 H new ATOM 0 HB2 LYS B 92 4.306 -16.959 4.282 1.00 21.02 H new ATOM 0 HB3 LYS B 92 3.505 -16.101 2.981 1.00 21.02 H new ATOM 0 HG2 LYS B 92 3.352 -18.381 1.763 1.00 52.23 H new ATOM 0 HG3 LYS B 92 3.850 -19.113 3.275 1.00 52.23 H new ATOM 0 HD2 LYS B 92 1.313 -17.494 2.766 1.00 62.24 H new ATOM 0 HD3 LYS B 92 1.418 -19.207 3.124 1.00 62.24 H new ATOM 0 HE2 LYS B 92 2.061 -16.913 5.032 1.00 30.23 H new ATOM 0 HE3 LYS B 92 0.671 -17.978 5.114 1.00 30.23 H new ATOM 0 HZ1 LYS B 92 2.529 -18.506 6.667 1.00 3.42 H new ATOM 0 HZ2 LYS B 92 2.033 -19.803 5.690 1.00 3.42 H new ATOM 0 HZ3 LYS B 92 3.463 -18.963 5.324 1.00 3.42 H new ATOM 3051 N ILE B 93 4.605 -15.478 0.624 1.00 2.03 N ATOM 3052 CA ILE B 93 4.250 -15.167 -0.769 1.00 11.43 C ATOM 3053 C ILE B 93 5.444 -14.560 -1.536 1.00 11.51 C ATOM 3054 O ILE B 93 5.508 -14.673 -2.761 1.00 14.20 O ATOM 3055 CB ILE B 93 2.960 -14.268 -0.911 1.00 13.33 C ATOM 3056 CG1 ILE B 93 3.205 -12.768 -0.544 1.00 61.31 C ATOM 3057 CG2 ILE B 93 1.779 -14.850 -0.084 1.00 33.12 C ATOM 3058 CD1 ILE B 93 3.356 -12.446 0.921 1.00 50.22 C ATOM 0 H ILE B 93 4.316 -14.767 1.295 1.00 2.03 H new ATOM 0 HA ILE B 93 3.998 -16.123 -1.228 1.00 11.43 H new ATOM 0 HB ILE B 93 2.696 -14.287 -1.968 1.00 13.33 H new ATOM 0 HG12 ILE B 93 4.105 -12.434 -1.060 1.00 61.31 H new ATOM 0 HG13 ILE B 93 2.375 -12.181 -0.938 1.00 61.31 H new ATOM 0 HG21 ILE B 93 0.904 -14.211 -0.200 1.00 33.12 H new ATOM 0 HG22 ILE B 93 1.545 -15.853 -0.440 1.00 33.12 H new ATOM 0 HG23 ILE B 93 2.059 -14.894 0.969 1.00 33.12 H new ATOM 0 HD11 ILE B 93 3.521 -11.375 1.043 1.00 50.22 H new ATOM 0 HD12 ILE B 93 2.450 -12.737 1.453 1.00 50.22 H new ATOM 0 HD13 ILE B 93 4.207 -12.993 1.328 1.00 50.22 H new ATOM 3070 N ALA B 94 6.373 -13.895 -0.804 1.00 52.33 N ATOM 3071 CA ALA B 94 7.594 -13.292 -1.395 1.00 5.12 C ATOM 3072 C ALA B 94 8.461 -14.353 -2.105 1.00 63.04 C ATOM 3073 O ALA B 94 8.845 -14.179 -3.272 1.00 0.22 O ATOM 3074 CB ALA B 94 8.410 -12.560 -0.315 1.00 10.31 C ATOM 0 H ALA B 94 6.298 -13.762 0.205 1.00 52.33 H new ATOM 0 HA ALA B 94 7.278 -12.567 -2.145 1.00 5.12 H new ATOM 0 HB1 ALA B 94 9.302 -12.124 -0.766 1.00 10.31 H new ATOM 0 HB2 ALA B 94 7.803 -11.770 0.126 1.00 10.31 H new ATOM 0 HB3 ALA B 94 8.704 -13.267 0.460 1.00 10.31 H new ATOM 3080 N VAL B 95 8.722 -15.471 -1.399 1.00 55.20 N ATOM 3081 CA VAL B 95 9.503 -16.605 -1.944 1.00 44.35 C ATOM 3082 C VAL B 95 8.677 -17.418 -2.962 1.00 44.20 C ATOM 3083 O VAL B 95 9.229 -18.194 -3.739 1.00 45.14 O ATOM 3084 CB VAL B 95 10.045 -17.561 -0.812 1.00 22.33 C ATOM 3085 CG1 VAL B 95 10.972 -16.801 0.159 1.00 60.23 C ATOM 3086 CG2 VAL B 95 8.898 -18.274 -0.054 1.00 11.31 C ATOM 0 H VAL B 95 8.401 -15.615 -0.442 1.00 55.20 H new ATOM 0 HA VAL B 95 10.362 -16.167 -2.452 1.00 44.35 H new ATOM 0 HB VAL B 95 10.633 -18.338 -1.301 1.00 22.33 H new ATOM 0 HG11 VAL B 95 11.331 -17.484 0.929 1.00 60.23 H new ATOM 0 HG12 VAL B 95 11.821 -16.396 -0.391 1.00 60.23 H new ATOM 0 HG13 VAL B 95 10.420 -15.986 0.626 1.00 60.23 H new ATOM 0 HG21 VAL B 95 9.318 -18.922 0.716 1.00 11.31 H new ATOM 0 HG22 VAL B 95 8.251 -17.530 0.411 1.00 11.31 H new ATOM 0 HG23 VAL B 95 8.316 -18.873 -0.754 1.00 11.31 H new ATOM 3096 N PHE B 96 7.348 -17.245 -2.929 1.00 11.21 N ATOM 3097 CA PHE B 96 6.426 -17.909 -3.874 1.00 53.11 C ATOM 3098 C PHE B 96 6.364 -17.147 -5.218 1.00 31.52 C ATOM 3099 O PHE B 96 6.092 -17.742 -6.269 1.00 71.01 O ATOM 3100 CB PHE B 96 5.012 -18.018 -3.236 1.00 41.23 C ATOM 3101 CG PHE B 96 3.960 -18.679 -4.134 1.00 2.44 C ATOM 3102 CD1 PHE B 96 3.984 -20.057 -4.357 1.00 33.14 C ATOM 3103 CD2 PHE B 96 2.966 -17.926 -4.773 1.00 33.24 C ATOM 3104 CE1 PHE B 96 3.061 -20.658 -5.192 1.00 30.33 C ATOM 3105 CE2 PHE B 96 2.040 -18.533 -5.604 1.00 30.42 C ATOM 3106 CZ PHE B 96 2.091 -19.897 -5.814 1.00 63.34 C ATOM 0 H PHE B 96 6.879 -16.644 -2.251 1.00 11.21 H new ATOM 0 HA PHE B 96 6.800 -18.912 -4.082 1.00 53.11 H new ATOM 0 HB2 PHE B 96 5.088 -18.585 -2.309 1.00 41.23 H new ATOM 0 HB3 PHE B 96 4.669 -17.018 -2.971 1.00 41.23 H new ATOM 0 HD1 PHE B 96 4.735 -20.662 -3.870 1.00 33.14 H new ATOM 0 HD2 PHE B 96 2.922 -16.859 -4.615 1.00 33.24 H new ATOM 0 HE1 PHE B 96 3.098 -21.724 -5.358 1.00 30.33 H new ATOM 0 HE2 PHE B 96 1.278 -17.940 -6.088 1.00 30.42 H new ATOM 0 HZ PHE B 96 1.371 -20.369 -6.466 1.00 63.34 H new ATOM 3116 N PHE B 97 6.614 -15.828 -5.172 1.00 32.04 N ATOM 3117 CA PHE B 97 6.483 -14.941 -6.346 1.00 45.00 C ATOM 3118 C PHE B 97 7.614 -15.154 -7.379 1.00 40.41 C ATOM 3119 O PHE B 97 7.386 -14.967 -8.585 1.00 63.11 O ATOM 3120 CB PHE B 97 6.435 -13.454 -5.894 1.00 60.03 C ATOM 3121 CG PHE B 97 6.293 -12.450 -7.047 1.00 31.31 C ATOM 3122 CD1 PHE B 97 5.264 -12.586 -7.986 1.00 1.13 C ATOM 3123 CD2 PHE B 97 7.199 -11.397 -7.214 1.00 41.40 C ATOM 3124 CE1 PHE B 97 5.157 -11.715 -9.049 1.00 13.14 C ATOM 3125 CE2 PHE B 97 7.079 -10.519 -8.280 1.00 15.40 C ATOM 3126 CZ PHE B 97 6.060 -10.680 -9.196 1.00 32.22 C ATOM 0 H PHE B 97 6.912 -15.345 -4.324 1.00 32.04 H new ATOM 0 HA PHE B 97 5.547 -15.200 -6.841 1.00 45.00 H new ATOM 0 HB2 PHE B 97 5.599 -13.322 -5.207 1.00 60.03 H new ATOM 0 HB3 PHE B 97 7.344 -13.225 -5.338 1.00 60.03 H new ATOM 0 HD1 PHE B 97 4.544 -13.384 -7.876 1.00 1.13 H new ATOM 0 HD2 PHE B 97 8.002 -11.267 -6.504 1.00 41.40 H new ATOM 0 HE1 PHE B 97 4.363 -11.842 -9.770 1.00 13.14 H new ATOM 0 HE2 PHE B 97 7.784 -9.708 -8.394 1.00 15.40 H new ATOM 0 HZ PHE B 97 5.968 -9.997 -10.028 1.00 32.22 H new ATOM 3136 N GLN B 98 8.810 -15.545 -6.903 1.00 51.21 N ATOM 3137 CA GLN B 98 10.012 -15.682 -7.752 1.00 21.11 C ATOM 3138 C GLN B 98 9.780 -16.680 -8.931 1.00 5.25 C ATOM 3139 O GLN B 98 10.034 -16.314 -10.099 1.00 51.32 O ATOM 3140 CB GLN B 98 11.250 -16.085 -6.891 1.00 44.43 C ATOM 3141 CG GLN B 98 11.144 -17.439 -6.161 1.00 23.40 C ATOM 3142 CD GLN B 98 12.381 -17.797 -5.337 1.00 14.31 C ATOM 3143 OE1 GLN B 98 13.068 -16.922 -4.810 1.00 52.02 O ATOM 3144 NE2 GLN B 98 12.682 -19.085 -5.221 1.00 61.30 N ATOM 3145 OXT GLN B 98 9.293 -17.799 -8.692 1.00 37.71 O ATOM 0 H GLN B 98 8.972 -15.775 -5.923 1.00 51.21 H new ATOM 0 HA GLN B 98 10.216 -14.710 -8.201 1.00 21.11 H new ATOM 0 HB2 GLN B 98 12.127 -16.109 -7.538 1.00 44.43 H new ATOM 0 HB3 GLN B 98 11.423 -15.305 -6.149 1.00 44.43 H new ATOM 0 HG2 GLN B 98 10.275 -17.419 -5.504 1.00 23.40 H new ATOM 0 HG3 GLN B 98 10.970 -18.224 -6.896 1.00 23.40 H new ATOM 0 HE21 GLN B 98 12.094 -19.788 -5.669 1.00 61.30 H new ATOM 0 HE22 GLN B 98 13.501 -19.371 -4.684 1.00 61.30 H new TER 3154 GLN B 98