USER MOD reduce.3.24.130724 H: found=0, std=0, add=1576, rem=0, adj=39 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 85 SER OG : rot 150:sc= -0.0752 USER MOD Set 1.2: B 89 MET CE :methyl -177:sc= -0.356 (180deg=-0.439) USER MOD Set 2.1: B 43 CYS SG : rot -32:sc= 1.7 USER MOD Set 2.2: B 52 SER OG : rot -111:sc= 1.66 USER MOD Set 3.1: B 24 MET CE :methyl 165:sc= -1.43 (180deg=-2.04) USER MOD Set 3.2: B 25 THR OG1 : rot 160:sc=-0.00319 USER MOD Set 4.1: B 16 THR OG1 : rot 180:sc= -0.0362 USER MOD Set 4.2: B 53 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-0.87) USER MOD Set 5.1: B 7 THR OG1 : rot 180:sc= 0.0349 USER MOD Set 5.2: B 8 HIS : no HD1:sc= 0 X(o=0.035,f=0.12) USER MOD Set 6.1: A 85 SER OG : rot 160:sc= -0.042 USER MOD Set 6.2: A 89 MET CE :methyl -170:sc= -0.189 (180deg=-0.432) USER MOD Set 7.1: A 16 THR OG1 : rot 180:sc= -0.0164 USER MOD Set 7.2: A 53 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-0.8) USER MOD Set 8.1: A 43 CYS SG : rot -36:sc= 1.64 USER MOD Set 8.2: A 52 SER OG : rot -116:sc= 1.65 USER MOD Set 9.1: A 24 MET CE :methyl 157:sc= -1.27 (180deg=-1.84) USER MOD Set 9.2: A 25 THR OG1 : rot 160:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -151:sc= 0.571 (180deg=-0.484) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 177:sc= -0.291 (180deg=-0.331) USER MOD Single : A 4 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.58) USER MOD Single : A 5 ASN : amide:sc= -0.0654 K(o=-0.065,f=0.69) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0614 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0194 X(o=-0.019,f=-0.19) USER MOD Single : A 10 ASN : amide:sc= -1.27 X(o=-1.3,f=-1) USER MOD Single : A 19 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.53) USER MOD Single : A 20 HIS : no HD1:sc= -0.0862 X(o=-0.086,f=-0.13) USER MOD Single : A 26 HIS : no HE2:sc= -0.603 X(o=-0.6,f=-0.69) USER MOD Single : A 28 CYS SG : rot 91:sc= 0.359 USER MOD Single : A 37 ASN : amide:sc= -2.43 K(o=-2.4,f=-6.2!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 49 SER OG : rot 70:sc= 0.0131 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.823 K(o=-0.82,f=-2.6!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 MET CE :methyl 156:sc= -0.454 (180deg=-0.753) USER MOD Single : A 69 SER OG : rot 73:sc= 1.07 USER MOD Single : A 70 GLN : amide:sc= -2.44 K(o=-2.4,f=-0.7) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -170:sc= -0.0223 (180deg=-0.164) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD Single : A 84 GLN : amide:sc= -1.88! C(o=-1.9!,f=-2.5!) USER MOD Single : A 88 THR OG1 : rot -75:sc= 0.886 USER MOD Single : A 91 ASN : amide:sc= -3.55! C(o=-3.6!,f=-4.8!) USER MOD Single : A 92 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0119) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 GLY N :NH3+ -149:sc= 0.633 (180deg=-0.506) USER MOD Single : B 2 SER OG : rot 175:sc= 0.198 USER MOD Single : B 3 MET CE :methyl 160:sc= -0.118 (180deg=-0.641) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 5 ASN : amide:sc= -0.925 K(o=-0.92,f=-5.2!) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.4) USER MOD Single : B 19 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.4) USER MOD Single : B 20 HIS : no HD1:sc= -0.0622 X(o=-0.062,f=-0.1) USER MOD Single : B 26 HIS : no HE2:sc= -0.509 X(o=-0.51,f=-0.72) USER MOD Single : B 28 CYS SG : rot 93:sc= 0.412 USER MOD Single : B 37 ASN : amide:sc= -2.17 K(o=-2.2,f=-6.2!) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 49 SER OG : rot 71:sc= 0.0561 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 ASN : amide:sc= 0.288 K(o=0.29,f=-1.7!) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 67 MET CE :methyl 163:sc= -0.513 (180deg=-0.816) USER MOD Single : B 69 SER OG : rot 74:sc= 1.06 USER MOD Single : B 70 GLN : amide:sc= -2.68 K(o=-2.7,f=-0.8) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 LYS NZ :NH3+ -170:sc=-0.00425 (180deg=-0.109) USER MOD Single : B 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 83 ASN : amide:sc=-0.00382 X(o=-0.0038,f=0) USER MOD Single : B 84 GLN : amide:sc= -1.53! C(o=-1.5!,f=-2.1!) USER MOD Single : B 88 THR OG1 : rot -77:sc= 0.738 USER MOD Single : B 91 ASN : amide:sc= -2.81 K(o=-2.8,f=-4.4!) USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.368 9.068 -18.592 1.00 11.04 N ATOM 2 CA GLY A 1 9.462 8.178 -18.141 1.00 32.41 C ATOM 3 C GLY A 1 9.422 6.818 -18.811 1.00 63.01 C ATOM 4 O GLY A 1 8.571 6.576 -19.683 1.00 72.14 O ATOM 0 H1 GLY A 1 8.678 10.059 -18.528 1.00 11.04 H new ATOM 0 H2 GLY A 1 8.123 8.845 -19.578 1.00 11.04 H new ATOM 0 H3 GLY A 1 7.534 8.926 -17.988 1.00 11.04 H new ATOM 0 HA2 GLY A 1 10.421 8.653 -18.349 1.00 32.41 H new ATOM 0 HA3 GLY A 1 9.398 8.049 -17.061 1.00 32.41 H new ATOM 10 N SER A 2 10.347 5.928 -18.406 1.00 63.43 N ATOM 11 CA SER A 2 10.456 4.564 -18.949 1.00 10.53 C ATOM 12 C SER A 2 9.344 3.664 -18.380 1.00 13.43 C ATOM 13 O SER A 2 9.577 2.892 -17.448 1.00 15.33 O ATOM 14 CB SER A 2 11.861 3.986 -18.642 1.00 42.51 C ATOM 15 OG SER A 2 12.875 4.843 -19.128 1.00 14.14 O ATOM 0 H SER A 2 11.042 6.137 -17.690 1.00 63.43 H new ATOM 0 HA SER A 2 10.329 4.600 -20.031 1.00 10.53 H new ATOM 0 HB2 SER A 2 11.977 3.852 -17.566 1.00 42.51 H new ATOM 0 HB3 SER A 2 11.962 3.001 -19.098 1.00 42.51 H new ATOM 0 HG SER A 2 13.753 4.460 -18.922 1.00 14.14 H new ATOM 21 N MET A 3 8.128 3.799 -18.942 1.00 51.10 N ATOM 22 CA MET A 3 6.923 3.083 -18.478 1.00 4.21 C ATOM 23 C MET A 3 7.019 1.571 -18.784 1.00 64.11 C ATOM 24 O MET A 3 6.504 1.103 -19.802 1.00 42.11 O ATOM 25 CB MET A 3 5.649 3.719 -19.101 1.00 24.11 C ATOM 26 CG MET A 3 5.360 5.149 -18.627 1.00 44.31 C ATOM 27 SD MET A 3 3.987 5.928 -19.508 1.00 53.03 S ATOM 28 CE MET A 3 2.632 4.790 -19.222 1.00 23.53 C ATOM 0 H MET A 3 7.952 4.413 -19.737 1.00 51.10 H new ATOM 0 HA MET A 3 6.854 3.183 -17.395 1.00 4.21 H new ATOM 0 HB2 MET A 3 5.753 3.723 -20.186 1.00 24.11 H new ATOM 0 HB3 MET A 3 4.791 3.090 -18.865 1.00 24.11 H new ATOM 0 HG2 MET A 3 5.136 5.133 -17.560 1.00 44.31 H new ATOM 0 HG3 MET A 3 6.256 5.756 -18.756 1.00 44.31 H new ATOM 0 HE1 MET A 3 1.722 5.188 -19.670 1.00 23.53 H new ATOM 0 HE2 MET A 3 2.866 3.825 -19.672 1.00 23.53 H new ATOM 0 HE3 MET A 3 2.484 4.663 -18.150 1.00 23.53 H new ATOM 38 N GLN A 4 7.722 0.843 -17.891 1.00 4.21 N ATOM 39 CA GLN A 4 7.981 -0.609 -18.015 1.00 63.34 C ATOM 40 C GLN A 4 8.439 -1.182 -16.658 1.00 21.43 C ATOM 41 O GLN A 4 8.455 -0.470 -15.646 1.00 11.43 O ATOM 42 CB GLN A 4 9.047 -0.884 -19.120 1.00 30.23 C ATOM 43 CG GLN A 4 10.427 -0.225 -18.877 1.00 74.51 C ATOM 44 CD GLN A 4 11.461 -0.584 -19.945 1.00 34.45 C ATOM 45 OE1 GLN A 4 11.425 -1.666 -20.532 1.00 15.12 O ATOM 46 NE2 GLN A 4 12.395 0.308 -20.202 1.00 30.53 N ATOM 0 H GLN A 4 8.132 1.252 -17.051 1.00 4.21 H new ATOM 0 HA GLN A 4 7.056 -1.106 -18.308 1.00 63.34 H new ATOM 0 HB2 GLN A 4 9.186 -1.961 -19.209 1.00 30.23 H new ATOM 0 HB3 GLN A 4 8.657 -0.533 -20.075 1.00 30.23 H new ATOM 0 HG2 GLN A 4 10.305 0.858 -18.847 1.00 74.51 H new ATOM 0 HG3 GLN A 4 10.802 -0.531 -17.900 1.00 74.51 H new ATOM 0 HE21 GLN A 4 12.403 1.197 -19.702 1.00 30.53 H new ATOM 0 HE22 GLN A 4 13.111 0.110 -20.901 1.00 30.53 H new ATOM 55 N ASN A 5 8.806 -2.475 -16.653 1.00 23.12 N ATOM 56 CA ASN A 5 9.288 -3.192 -15.455 1.00 52.42 C ATOM 57 C ASN A 5 10.664 -3.831 -15.733 1.00 12.33 C ATOM 58 O ASN A 5 10.791 -4.714 -16.585 1.00 4.50 O ATOM 59 CB ASN A 5 8.235 -4.253 -15.005 1.00 22.13 C ATOM 60 CG ASN A 5 7.614 -5.099 -16.137 1.00 24.34 C ATOM 61 OD1 ASN A 5 8.216 -5.345 -17.186 1.00 3.21 O ATOM 62 ND2 ASN A 5 6.387 -5.548 -15.932 1.00 51.11 N ATOM 0 H ASN A 5 8.777 -3.060 -17.488 1.00 23.12 H new ATOM 0 HA ASN A 5 9.415 -2.484 -14.636 1.00 52.42 H new ATOM 0 HB2 ASN A 5 8.707 -4.926 -14.290 1.00 22.13 H new ATOM 0 HB3 ASN A 5 7.431 -3.740 -14.477 1.00 22.13 H new ATOM 0 HD21 ASN A 5 5.923 -6.108 -16.647 1.00 51.11 H new ATOM 0 HD22 ASN A 5 5.905 -5.335 -15.059 1.00 51.11 H new ATOM 69 N THR A 6 11.698 -3.347 -15.020 1.00 43.25 N ATOM 70 CA THR A 6 13.084 -3.833 -15.141 1.00 11.53 C ATOM 71 C THR A 6 13.822 -3.505 -13.829 1.00 54.24 C ATOM 72 O THR A 6 13.417 -2.586 -13.116 1.00 50.22 O ATOM 73 CB THR A 6 13.821 -3.174 -16.366 1.00 54.03 C ATOM 74 OG1 THR A 6 13.017 -3.273 -17.550 1.00 53.02 O ATOM 75 CG2 THR A 6 15.187 -3.820 -16.650 1.00 2.40 C ATOM 0 H THR A 6 11.592 -2.598 -14.335 1.00 43.25 H new ATOM 0 HA THR A 6 13.076 -4.909 -15.315 1.00 11.53 H new ATOM 0 HB THR A 6 13.982 -2.130 -16.099 1.00 54.03 H new ATOM 0 HG1 THR A 6 13.489 -2.857 -18.302 1.00 53.02 H new ATOM 0 HG21 THR A 6 15.652 -3.328 -17.504 1.00 2.40 H new ATOM 0 HG22 THR A 6 15.829 -3.713 -15.776 1.00 2.40 H new ATOM 0 HG23 THR A 6 15.050 -4.878 -16.872 1.00 2.40 H new ATOM 83 N THR A 7 14.939 -4.210 -13.547 1.00 12.11 N ATOM 84 CA THR A 7 15.667 -4.133 -12.254 1.00 65.41 C ATOM 85 C THR A 7 16.513 -2.839 -12.069 1.00 65.01 C ATOM 86 O THR A 7 17.509 -2.843 -11.329 1.00 22.52 O ATOM 87 CB THR A 7 16.580 -5.393 -12.099 1.00 2.33 C ATOM 88 OG1 THR A 7 17.504 -5.461 -13.201 1.00 31.41 O ATOM 89 CG2 THR A 7 15.756 -6.694 -12.037 1.00 73.35 C ATOM 0 H THR A 7 15.367 -4.854 -14.212 1.00 12.11 H new ATOM 0 HA THR A 7 14.906 -4.101 -11.475 1.00 65.41 H new ATOM 0 HB THR A 7 17.123 -5.295 -11.159 1.00 2.33 H new ATOM 0 HG1 THR A 7 18.076 -6.250 -13.100 1.00 31.41 H new ATOM 0 HG21 THR A 7 16.428 -7.545 -11.929 1.00 73.35 H new ATOM 0 HG22 THR A 7 15.079 -6.656 -11.184 1.00 73.35 H new ATOM 0 HG23 THR A 7 15.177 -6.802 -12.954 1.00 73.35 H new ATOM 97 N HIS A 8 16.094 -1.734 -12.712 1.00 45.25 N ATOM 98 CA HIS A 8 16.713 -0.402 -12.559 1.00 62.30 C ATOM 99 C HIS A 8 15.759 0.675 -13.090 1.00 1.41 C ATOM 100 O HIS A 8 15.784 1.808 -12.611 1.00 51.21 O ATOM 101 CB HIS A 8 18.098 -0.306 -13.261 1.00 13.42 C ATOM 102 CG HIS A 8 18.073 -0.440 -14.763 1.00 74.43 C ATOM 103 ND1 HIS A 8 18.423 0.577 -15.615 1.00 54.55 N ATOM 104 CD2 HIS A 8 17.780 -1.498 -15.553 1.00 70.43 C ATOM 105 CE1 HIS A 8 18.347 0.157 -16.856 1.00 21.43 C ATOM 106 NE2 HIS A 8 17.958 -1.099 -16.848 1.00 24.24 N ATOM 0 H HIS A 8 15.307 -1.740 -13.361 1.00 45.25 H new ATOM 0 HA HIS A 8 16.891 -0.239 -11.496 1.00 62.30 H new ATOM 0 HB2 HIS A 8 18.550 0.653 -13.006 1.00 13.42 H new ATOM 0 HB3 HIS A 8 18.747 -1.082 -12.855 1.00 13.42 H new ATOM 0 HD2 HIS A 8 17.464 -2.476 -15.222 1.00 70.43 H new ATOM 0 HE1 HIS A 8 18.567 0.744 -17.735 1.00 21.43 H new ATOM 0 HE2 HIS A 8 17.813 -1.680 -17.673 1.00 24.24 H new ATOM 115 N ASP A 9 14.935 0.308 -14.101 1.00 1.13 N ATOM 116 CA ASP A 9 13.881 1.188 -14.643 1.00 52.51 C ATOM 117 C ASP A 9 12.820 1.472 -13.576 1.00 12.11 C ATOM 118 O ASP A 9 12.315 2.599 -13.491 1.00 71.34 O ATOM 119 CB ASP A 9 13.228 0.581 -15.918 1.00 63.31 C ATOM 120 CG ASP A 9 14.187 0.557 -17.124 1.00 31.31 C ATOM 121 OD1 ASP A 9 15.124 -0.259 -17.126 1.00 22.53 O ATOM 122 OD2 ASP A 9 14.019 1.361 -18.064 1.00 34.01 O ATOM 0 H ASP A 9 14.985 -0.602 -14.559 1.00 1.13 H new ATOM 0 HA ASP A 9 14.350 2.129 -14.930 1.00 52.51 H new ATOM 0 HB2 ASP A 9 12.896 -0.435 -15.703 1.00 63.31 H new ATOM 0 HB3 ASP A 9 12.340 1.158 -16.176 1.00 63.31 H new ATOM 127 N ASN A 10 12.493 0.448 -12.744 1.00 34.03 N ATOM 128 CA ASN A 10 11.673 0.676 -11.549 1.00 52.23 C ATOM 129 C ASN A 10 12.571 1.273 -10.455 1.00 40.35 C ATOM 130 O ASN A 10 13.804 1.096 -10.459 1.00 74.43 O ATOM 131 CB ASN A 10 10.943 -0.611 -11.034 1.00 53.42 C ATOM 132 CG ASN A 10 11.823 -1.598 -10.238 1.00 44.43 C ATOM 133 OD1 ASN A 10 13.013 -1.770 -10.497 1.00 21.34 O ATOM 134 ND2 ASN A 10 11.231 -2.257 -9.253 1.00 64.22 N ATOM 0 H ASN A 10 12.783 -0.520 -12.883 1.00 34.03 H new ATOM 0 HA ASN A 10 10.875 1.369 -11.816 1.00 52.23 H new ATOM 0 HB2 ASN A 10 10.107 -0.306 -10.404 1.00 53.42 H new ATOM 0 HB3 ASN A 10 10.521 -1.136 -11.891 1.00 53.42 H new ATOM 0 HD21 ASN A 10 11.763 -2.922 -8.692 1.00 64.22 H new ATOM 0 HD22 ASN A 10 10.243 -2.099 -9.055 1.00 64.22 H new ATOM 141 N VAL A 11 11.947 1.975 -9.526 1.00 73.03 N ATOM 142 CA VAL A 11 12.625 2.663 -8.437 1.00 5.32 C ATOM 143 C VAL A 11 11.934 2.306 -7.135 1.00 13.51 C ATOM 144 O VAL A 11 10.705 2.105 -7.094 1.00 61.44 O ATOM 145 CB VAL A 11 12.662 4.235 -8.610 1.00 63.11 C ATOM 146 CG1 VAL A 11 13.485 4.636 -9.852 1.00 63.53 C ATOM 147 CG2 VAL A 11 11.241 4.851 -8.664 1.00 1.14 C ATOM 0 H VAL A 11 10.933 2.086 -9.505 1.00 73.03 H new ATOM 0 HA VAL A 11 13.664 2.333 -8.438 1.00 5.32 H new ATOM 0 HB VAL A 11 13.154 4.642 -7.727 1.00 63.11 H new ATOM 0 HG11 VAL A 11 13.494 5.722 -9.947 1.00 63.53 H new ATOM 0 HG12 VAL A 11 14.507 4.273 -9.744 1.00 63.53 H new ATOM 0 HG13 VAL A 11 13.036 4.197 -10.743 1.00 63.53 H new ATOM 0 HG21 VAL A 11 11.317 5.932 -8.783 1.00 1.14 H new ATOM 0 HG22 VAL A 11 10.694 4.430 -9.508 1.00 1.14 H new ATOM 0 HG23 VAL A 11 10.711 4.625 -7.739 1.00 1.14 H new ATOM 157 N ILE A 12 12.742 2.208 -6.097 1.00 41.03 N ATOM 158 CA ILE A 12 12.292 2.020 -4.739 1.00 2.12 C ATOM 159 C ILE A 12 12.050 3.406 -4.143 1.00 5.23 C ATOM 160 O ILE A 12 13.000 4.136 -3.879 1.00 33.13 O ATOM 161 CB ILE A 12 13.370 1.262 -3.877 1.00 21.12 C ATOM 162 CG1 ILE A 12 13.897 -0.028 -4.594 1.00 74.14 C ATOM 163 CG2 ILE A 12 12.820 0.946 -2.474 1.00 34.25 C ATOM 164 CD1 ILE A 12 12.861 -1.101 -4.892 1.00 61.31 C ATOM 0 H ILE A 12 13.757 2.259 -6.182 1.00 41.03 H new ATOM 0 HA ILE A 12 11.384 1.417 -4.735 1.00 2.12 H new ATOM 0 HB ILE A 12 14.227 1.926 -3.763 1.00 21.12 H new ATOM 0 HG12 ILE A 12 14.363 0.268 -5.534 1.00 74.14 H new ATOM 0 HG13 ILE A 12 14.679 -0.469 -3.975 1.00 74.14 H new ATOM 0 HG21 ILE A 12 13.580 0.422 -1.895 1.00 34.25 H new ATOM 0 HG22 ILE A 12 12.555 1.875 -1.969 1.00 34.25 H new ATOM 0 HG23 ILE A 12 11.935 0.317 -2.564 1.00 34.25 H new ATOM 0 HD11 ILE A 12 13.342 -1.944 -5.388 1.00 61.31 H new ATOM 0 HD12 ILE A 12 12.409 -1.439 -3.960 1.00 61.31 H new ATOM 0 HD13 ILE A 12 12.088 -0.690 -5.542 1.00 61.31 H new ATOM 176 N LEU A 13 10.789 3.791 -4.016 1.00 11.55 N ATOM 177 CA LEU A 13 10.412 5.018 -3.316 1.00 32.44 C ATOM 178 C LEU A 13 10.236 4.667 -1.848 1.00 23.43 C ATOM 179 O LEU A 13 9.172 4.173 -1.460 1.00 53.20 O ATOM 180 CB LEU A 13 9.101 5.627 -3.888 1.00 34.33 C ATOM 181 CG LEU A 13 9.065 5.905 -5.416 1.00 43.41 C ATOM 182 CD1 LEU A 13 7.713 6.506 -5.841 1.00 62.44 C ATOM 183 CD2 LEU A 13 10.226 6.810 -5.844 1.00 34.40 C ATOM 0 H LEU A 13 9.999 3.267 -4.392 1.00 11.55 H new ATOM 0 HA LEU A 13 11.190 5.770 -3.448 1.00 32.44 H new ATOM 0 HB2 LEU A 13 8.280 4.953 -3.646 1.00 34.33 H new ATOM 0 HB3 LEU A 13 8.907 6.565 -3.368 1.00 34.33 H new ATOM 0 HG LEU A 13 9.182 4.949 -5.927 1.00 43.41 H new ATOM 0 HD11 LEU A 13 7.718 6.690 -6.915 1.00 62.44 H new ATOM 0 HD12 LEU A 13 6.912 5.809 -5.596 1.00 62.44 H new ATOM 0 HD13 LEU A 13 7.550 7.446 -5.313 1.00 62.44 H new ATOM 0 HD21 LEU A 13 10.173 6.986 -6.918 1.00 34.40 H new ATOM 0 HD22 LEU A 13 10.159 7.762 -5.317 1.00 34.40 H new ATOM 0 HD23 LEU A 13 11.172 6.327 -5.602 1.00 34.40 H new ATOM 195 N GLU A 14 11.283 4.873 -1.036 1.00 13.33 N ATOM 196 CA GLU A 14 11.229 4.556 0.395 1.00 30.43 C ATOM 197 C GLU A 14 10.702 5.797 1.124 1.00 62.41 C ATOM 198 O GLU A 14 11.426 6.768 1.400 1.00 45.53 O ATOM 199 CB GLU A 14 12.577 4.018 0.985 1.00 30.20 C ATOM 200 CG GLU A 14 13.857 4.823 0.666 1.00 55.52 C ATOM 201 CD GLU A 14 14.429 4.547 -0.738 1.00 73.43 C ATOM 202 OE1 GLU A 14 15.047 3.478 -0.936 1.00 42.41 O ATOM 203 OE2 GLU A 14 14.270 5.393 -1.634 1.00 71.53 O ATOM 0 H GLU A 14 12.175 5.257 -1.347 1.00 13.33 H new ATOM 0 HA GLU A 14 10.549 3.718 0.547 1.00 30.43 H new ATOM 0 HB2 GLU A 14 12.474 3.963 2.069 1.00 30.20 H new ATOM 0 HB3 GLU A 14 12.720 2.999 0.626 1.00 30.20 H new ATOM 0 HG2 GLU A 14 13.638 5.887 0.757 1.00 55.52 H new ATOM 0 HG3 GLU A 14 14.618 4.589 1.411 1.00 55.52 H new ATOM 210 N LEU A 15 9.390 5.769 1.335 1.00 23.01 N ATOM 211 CA LEU A 15 8.626 6.866 1.911 1.00 13.15 C ATOM 212 C LEU A 15 8.610 6.708 3.426 1.00 12.31 C ATOM 213 O LEU A 15 8.351 5.619 3.926 1.00 72.13 O ATOM 214 CB LEU A 15 7.176 6.816 1.368 1.00 51.02 C ATOM 215 CG LEU A 15 7.032 6.578 -0.165 1.00 25.31 C ATOM 216 CD1 LEU A 15 5.565 6.352 -0.529 1.00 70.05 C ATOM 217 CD2 LEU A 15 7.640 7.727 -0.988 1.00 51.54 C ATOM 0 H LEU A 15 8.815 4.959 1.103 1.00 23.01 H new ATOM 0 HA LEU A 15 9.079 7.821 1.644 1.00 13.15 H new ATOM 0 HB2 LEU A 15 6.640 6.024 1.891 1.00 51.02 H new ATOM 0 HB3 LEU A 15 6.682 7.755 1.618 1.00 51.02 H new ATOM 0 HG LEU A 15 7.596 5.680 -0.417 1.00 25.31 H new ATOM 0 HD11 LEU A 15 5.478 6.187 -1.603 1.00 70.05 H new ATOM 0 HD12 LEU A 15 5.188 5.479 0.004 1.00 70.05 H new ATOM 0 HD13 LEU A 15 4.981 7.229 -0.248 1.00 70.05 H new ATOM 0 HD21 LEU A 15 7.517 7.518 -2.051 1.00 51.54 H new ATOM 0 HD22 LEU A 15 7.133 8.660 -0.740 1.00 51.54 H new ATOM 0 HD23 LEU A 15 8.701 7.818 -0.757 1.00 51.54 H new ATOM 229 N THR A 16 8.898 7.776 4.142 1.00 73.35 N ATOM 230 CA THR A 16 8.755 7.813 5.599 1.00 70.34 C ATOM 231 C THR A 16 7.506 8.620 5.930 1.00 15.11 C ATOM 232 O THR A 16 7.519 9.847 5.871 1.00 33.42 O ATOM 233 CB THR A 16 9.992 8.439 6.312 1.00 63.02 C ATOM 234 OG1 THR A 16 11.173 7.696 5.978 1.00 2.24 O ATOM 235 CG2 THR A 16 9.814 8.472 7.843 1.00 54.34 C ATOM 0 H THR A 16 9.239 8.648 3.738 1.00 73.35 H new ATOM 0 HA THR A 16 8.674 6.788 5.961 1.00 70.34 H new ATOM 0 HB THR A 16 10.090 9.468 5.965 1.00 63.02 H new ATOM 0 HG1 THR A 16 11.948 8.094 6.427 1.00 2.24 H new ATOM 0 HG21 THR A 16 10.697 8.915 8.303 1.00 54.34 H new ATOM 0 HG22 THR A 16 8.937 9.068 8.095 1.00 54.34 H new ATOM 0 HG23 THR A 16 9.682 7.456 8.216 1.00 54.34 H new ATOM 243 N VAL A 17 6.412 7.922 6.212 1.00 11.44 N ATOM 244 CA VAL A 17 5.166 8.541 6.675 1.00 42.13 C ATOM 245 C VAL A 17 4.944 8.115 8.125 1.00 71.40 C ATOM 246 O VAL A 17 5.460 7.074 8.544 1.00 52.23 O ATOM 247 CB VAL A 17 3.933 8.140 5.777 1.00 62.11 C ATOM 248 CG1 VAL A 17 4.254 8.332 4.279 1.00 52.05 C ATOM 249 CG2 VAL A 17 3.440 6.703 6.065 1.00 22.53 C ATOM 0 H VAL A 17 6.359 6.907 6.127 1.00 11.44 H new ATOM 0 HA VAL A 17 5.254 9.625 6.602 1.00 42.13 H new ATOM 0 HB VAL A 17 3.115 8.811 6.039 1.00 62.11 H new ATOM 0 HG11 VAL A 17 3.387 8.048 3.682 1.00 52.05 H new ATOM 0 HG12 VAL A 17 4.498 9.377 4.090 1.00 52.05 H new ATOM 0 HG13 VAL A 17 5.103 7.706 4.006 1.00 52.05 H new ATOM 0 HG21 VAL A 17 2.590 6.474 5.422 1.00 22.53 H new ATOM 0 HG22 VAL A 17 4.245 5.996 5.867 1.00 22.53 H new ATOM 0 HG23 VAL A 17 3.136 6.625 7.109 1.00 22.53 H new ATOM 259 N ARG A 18 4.247 8.928 8.915 1.00 23.10 N ATOM 260 CA ARG A 18 3.842 8.504 10.265 1.00 13.13 C ATOM 261 C ARG A 18 2.460 7.850 10.220 1.00 13.25 C ATOM 262 O ARG A 18 1.624 8.204 9.377 1.00 74.53 O ATOM 263 CB ARG A 18 3.928 9.656 11.291 1.00 22.31 C ATOM 264 CG ARG A 18 3.193 10.956 10.935 1.00 72.23 C ATOM 265 CD ARG A 18 3.441 12.039 12.003 1.00 21.42 C ATOM 266 NE ARG A 18 3.000 11.605 13.354 1.00 32.25 N ATOM 267 CZ ARG A 18 2.669 12.420 14.369 1.00 60.53 C ATOM 268 NH1 ARG A 18 2.714 13.739 14.234 1.00 72.34 N ATOM 269 NH2 ARG A 18 2.289 11.906 15.524 1.00 23.53 N ATOM 0 H ARG A 18 3.952 9.869 8.656 1.00 23.10 H new ATOM 0 HA ARG A 18 4.551 7.754 10.615 1.00 13.13 H new ATOM 0 HB2 ARG A 18 3.537 9.294 12.242 1.00 22.31 H new ATOM 0 HB3 ARG A 18 4.980 9.893 11.449 1.00 22.31 H new ATOM 0 HG2 ARG A 18 3.531 11.315 9.963 1.00 72.23 H new ATOM 0 HG3 ARG A 18 2.124 10.762 10.850 1.00 72.23 H new ATOM 0 HD2 ARG A 18 4.503 12.284 12.030 1.00 21.42 H new ATOM 0 HD3 ARG A 18 2.911 12.950 11.725 1.00 21.42 H new ATOM 0 HE ARG A 18 2.944 10.601 13.525 1.00 32.25 H new ATOM 0 HH11 ARG A 18 3.004 14.151 13.347 1.00 72.34 H new ATOM 0 HH12 ARG A 18 2.459 14.341 15.017 1.00 72.34 H new ATOM 0 HH21 ARG A 18 2.248 10.894 15.643 1.00 23.53 H new ATOM 0 HH22 ARG A 18 2.037 12.521 16.298 1.00 23.53 H new ATOM 283 N ASN A 19 2.253 6.878 11.127 1.00 32.24 N ATOM 284 CA ASN A 19 1.102 5.976 11.103 1.00 22.24 C ATOM 285 C ASN A 19 -0.187 6.734 11.483 1.00 30.30 C ATOM 286 O ASN A 19 -0.513 6.906 12.662 1.00 11.23 O ATOM 287 CB ASN A 19 1.353 4.756 12.037 1.00 33.12 C ATOM 288 CG ASN A 19 0.275 3.658 11.936 1.00 4.01 C ATOM 289 OD1 ASN A 19 -0.135 3.077 12.938 1.00 43.31 O ATOM 290 ND2 ASN A 19 -0.169 3.339 10.724 1.00 2.14 N ATOM 0 H ASN A 19 2.891 6.700 11.903 1.00 32.24 H new ATOM 0 HA ASN A 19 0.970 5.595 10.090 1.00 22.24 H new ATOM 0 HB2 ASN A 19 2.323 4.321 11.797 1.00 33.12 H new ATOM 0 HB3 ASN A 19 1.406 5.105 13.068 1.00 33.12 H new ATOM 0 HD21 ASN A 19 -0.863 2.600 10.613 1.00 2.14 H new ATOM 0 HD22 ASN A 19 0.184 3.834 9.905 1.00 2.14 H new ATOM 297 N HIS A 20 -0.848 7.245 10.445 1.00 1.43 N ATOM 298 CA HIS A 20 -2.144 7.943 10.533 1.00 71.44 C ATOM 299 C HIS A 20 -3.080 7.361 9.447 1.00 73.12 C ATOM 300 O HIS A 20 -2.622 7.102 8.331 1.00 11.54 O ATOM 301 CB HIS A 20 -1.915 9.475 10.345 1.00 63.33 C ATOM 302 CG HIS A 20 -3.160 10.332 10.397 1.00 50.43 C ATOM 303 ND1 HIS A 20 -3.634 10.908 11.553 1.00 62.21 N ATOM 304 CD2 HIS A 20 -4.024 10.710 9.418 1.00 23.21 C ATOM 305 CE1 HIS A 20 -4.726 11.595 11.285 1.00 31.25 C ATOM 306 NE2 HIS A 20 -4.988 11.490 10.001 1.00 13.11 N ATOM 0 H HIS A 20 -0.493 7.187 9.491 1.00 1.43 H new ATOM 0 HA HIS A 20 -2.609 7.797 11.508 1.00 71.44 H new ATOM 0 HB2 HIS A 20 -1.226 9.819 11.117 1.00 63.33 H new ATOM 0 HB3 HIS A 20 -1.424 9.636 9.385 1.00 63.33 H new ATOM 0 HD2 HIS A 20 -3.962 10.444 8.373 1.00 23.21 H new ATOM 0 HE1 HIS A 20 -5.310 12.153 12.002 1.00 31.25 H new ATOM 0 HE2 HIS A 20 -5.778 11.918 9.519 1.00 13.11 H new ATOM 315 N PRO A 21 -4.401 7.134 9.738 1.00 1.54 N ATOM 316 CA PRO A 21 -5.332 6.565 8.739 1.00 74.54 C ATOM 317 C PRO A 21 -5.623 7.556 7.579 1.00 32.10 C ATOM 318 O PRO A 21 -6.302 8.569 7.769 1.00 61.22 O ATOM 319 CB PRO A 21 -6.597 6.242 9.572 1.00 70.42 C ATOM 320 CG PRO A 21 -6.545 7.183 10.741 1.00 45.53 C ATOM 321 CD PRO A 21 -5.076 7.389 11.044 1.00 3.22 C ATOM 0 HA PRO A 21 -4.928 5.687 8.236 1.00 74.54 H new ATOM 0 HB2 PRO A 21 -7.504 6.391 8.986 1.00 70.42 H new ATOM 0 HB3 PRO A 21 -6.598 5.203 9.902 1.00 70.42 H new ATOM 0 HG2 PRO A 21 -7.031 8.129 10.503 1.00 45.53 H new ATOM 0 HG3 PRO A 21 -7.066 6.765 11.602 1.00 45.53 H new ATOM 0 HD2 PRO A 21 -4.880 8.399 11.404 1.00 3.22 H new ATOM 0 HD3 PRO A 21 -4.727 6.702 11.815 1.00 3.22 H new ATOM 329 N GLY A 22 -5.046 7.265 6.396 1.00 14.03 N ATOM 330 CA GLY A 22 -5.271 8.067 5.177 1.00 64.53 C ATOM 331 C GLY A 22 -3.983 8.519 4.499 1.00 61.10 C ATOM 332 O GLY A 22 -4.028 9.094 3.410 1.00 65.43 O ATOM 0 H GLY A 22 -4.416 6.474 6.259 1.00 14.03 H new ATOM 0 HA2 GLY A 22 -5.858 7.481 4.470 1.00 64.53 H new ATOM 0 HA3 GLY A 22 -5.864 8.945 5.434 1.00 64.53 H new ATOM 336 N VAL A 23 -2.829 8.254 5.136 1.00 44.12 N ATOM 337 CA VAL A 23 -1.507 8.688 4.620 1.00 45.21 C ATOM 338 C VAL A 23 -0.956 7.705 3.566 1.00 2.25 C ATOM 339 O VAL A 23 -0.245 8.100 2.646 1.00 3.14 O ATOM 340 CB VAL A 23 -0.488 8.886 5.795 1.00 41.45 C ATOM 341 CG1 VAL A 23 -1.061 9.896 6.815 1.00 12.12 C ATOM 342 CG2 VAL A 23 -0.107 7.548 6.472 1.00 4.14 C ATOM 0 H VAL A 23 -2.780 7.739 6.015 1.00 44.12 H new ATOM 0 HA VAL A 23 -1.646 9.649 4.125 1.00 45.21 H new ATOM 0 HB VAL A 23 0.436 9.289 5.380 1.00 41.45 H new ATOM 0 HG11 VAL A 23 -0.351 10.032 7.631 1.00 12.12 H new ATOM 0 HG12 VAL A 23 -1.234 10.852 6.322 1.00 12.12 H new ATOM 0 HG13 VAL A 23 -2.002 9.517 7.213 1.00 12.12 H new ATOM 0 HG21 VAL A 23 0.601 7.737 7.279 1.00 4.14 H new ATOM 0 HG22 VAL A 23 -1.003 7.077 6.877 1.00 4.14 H new ATOM 0 HG23 VAL A 23 0.350 6.885 5.737 1.00 4.14 H new ATOM 352 N MET A 24 -1.314 6.424 3.713 1.00 43.14 N ATOM 353 CA MET A 24 -0.997 5.383 2.723 1.00 60.20 C ATOM 354 C MET A 24 -1.881 5.573 1.466 1.00 11.23 C ATOM 355 O MET A 24 -1.444 5.322 0.338 1.00 21.21 O ATOM 356 CB MET A 24 -1.156 3.969 3.349 1.00 24.13 C ATOM 357 CG MET A 24 -2.577 3.604 3.810 1.00 44.24 C ATOM 358 SD MET A 24 -3.216 4.672 5.127 1.00 51.32 S ATOM 359 CE MET A 24 -4.890 4.064 5.267 1.00 45.21 C ATOM 0 H MET A 24 -1.832 6.078 4.521 1.00 43.14 H new ATOM 0 HA MET A 24 0.044 5.476 2.414 1.00 60.20 H new ATOM 0 HB2 MET A 24 -0.829 3.229 2.619 1.00 24.13 H new ATOM 0 HB3 MET A 24 -0.485 3.892 4.204 1.00 24.13 H new ATOM 0 HG2 MET A 24 -3.251 3.655 2.955 1.00 44.24 H new ATOM 0 HG3 MET A 24 -2.582 2.571 4.158 1.00 44.24 H new ATOM 0 HE1 MET A 24 -5.282 4.302 6.256 1.00 45.21 H new ATOM 0 HE2 MET A 24 -5.513 4.535 4.507 1.00 45.21 H new ATOM 0 HE3 MET A 24 -4.898 2.983 5.124 1.00 45.21 H new ATOM 369 N THR A 25 -3.119 6.061 1.689 1.00 32.45 N ATOM 370 CA THR A 25 -4.021 6.535 0.621 1.00 11.40 C ATOM 371 C THR A 25 -3.390 7.723 -0.122 1.00 15.21 C ATOM 372 O THR A 25 -3.417 7.793 -1.358 1.00 24.31 O ATOM 373 CB THR A 25 -5.382 6.994 1.239 1.00 64.23 C ATOM 374 OG1 THR A 25 -5.947 5.921 1.992 1.00 71.05 O ATOM 375 CG2 THR A 25 -6.384 7.480 0.172 1.00 54.10 C ATOM 0 H THR A 25 -3.523 6.137 2.623 1.00 32.45 H new ATOM 0 HA THR A 25 -4.187 5.715 -0.078 1.00 11.40 H new ATOM 0 HB THR A 25 -5.178 7.844 1.890 1.00 64.23 H new ATOM 0 HG1 THR A 25 -6.604 6.277 2.626 1.00 71.05 H new ATOM 0 HG21 THR A 25 -7.311 7.786 0.656 1.00 54.10 H new ATOM 0 HG22 THR A 25 -5.959 8.327 -0.367 1.00 54.10 H new ATOM 0 HG23 THR A 25 -6.591 6.671 -0.528 1.00 54.10 H new ATOM 383 N HIS A 26 -2.810 8.632 0.681 1.00 11.11 N ATOM 384 CA HIS A 26 -2.232 9.896 0.221 1.00 41.35 C ATOM 385 C HIS A 26 -1.067 9.643 -0.755 1.00 5.21 C ATOM 386 O HIS A 26 -1.058 10.171 -1.879 1.00 71.22 O ATOM 387 CB HIS A 26 -1.752 10.714 1.455 1.00 70.14 C ATOM 388 CG HIS A 26 -1.511 12.159 1.174 1.00 5.52 C ATOM 389 ND1 HIS A 26 -0.261 12.729 1.083 1.00 71.21 N ATOM 390 CD2 HIS A 26 -2.391 13.154 0.974 1.00 11.52 C ATOM 391 CE1 HIS A 26 -0.390 14.011 0.817 1.00 64.32 C ATOM 392 NE2 HIS A 26 -1.672 14.295 0.749 1.00 54.21 N ATOM 0 H HIS A 26 -2.731 8.500 1.689 1.00 11.11 H new ATOM 0 HA HIS A 26 -2.991 10.465 -0.316 1.00 41.35 H new ATOM 0 HB2 HIS A 26 -2.497 10.628 2.246 1.00 70.14 H new ATOM 0 HB3 HIS A 26 -0.832 10.271 1.835 1.00 70.14 H new ATOM 0 HD1 HIS A 26 0.624 12.236 1.203 1.00 71.21 H new ATOM 0 HD2 HIS A 26 -3.468 13.069 0.988 1.00 11.52 H new ATOM 0 HE1 HIS A 26 0.420 14.712 0.678 1.00 64.32 H new ATOM 401 N VAL A 27 -0.115 8.782 -0.330 1.00 31.42 N ATOM 402 CA VAL A 27 1.082 8.469 -1.126 1.00 53.43 C ATOM 403 C VAL A 27 0.706 7.783 -2.451 1.00 73.12 C ATOM 404 O VAL A 27 1.101 8.251 -3.539 1.00 70.43 O ATOM 405 CB VAL A 27 2.150 7.634 -0.307 1.00 24.10 C ATOM 406 CG1 VAL A 27 2.606 8.411 0.949 1.00 3.01 C ATOM 407 CG2 VAL A 27 1.649 6.226 0.083 1.00 51.10 C ATOM 0 H VAL A 27 -0.158 8.293 0.564 1.00 31.42 H new ATOM 0 HA VAL A 27 1.560 9.417 -1.372 1.00 53.43 H new ATOM 0 HB VAL A 27 3.003 7.491 -0.971 1.00 24.10 H new ATOM 0 HG11 VAL A 27 3.339 7.819 1.497 1.00 3.01 H new ATOM 0 HG12 VAL A 27 3.055 9.357 0.648 1.00 3.01 H new ATOM 0 HG13 VAL A 27 1.745 8.605 1.589 1.00 3.01 H new ATOM 0 HG21 VAL A 27 2.426 5.705 0.642 1.00 51.10 H new ATOM 0 HG22 VAL A 27 0.756 6.316 0.701 1.00 51.10 H new ATOM 0 HG23 VAL A 27 1.411 5.662 -0.819 1.00 51.10 H new ATOM 417 N CYS A 28 -0.146 6.745 -2.353 1.00 52.32 N ATOM 418 CA CYS A 28 -0.633 5.996 -3.516 1.00 64.24 C ATOM 419 C CYS A 28 -1.403 6.914 -4.491 1.00 42.11 C ATOM 420 O CYS A 28 -1.354 6.711 -5.703 1.00 31.20 O ATOM 421 CB CYS A 28 -1.517 4.826 -3.035 1.00 73.42 C ATOM 422 SG CYS A 28 -0.621 3.570 -2.096 1.00 41.23 S ATOM 0 H CYS A 28 -0.513 6.406 -1.464 1.00 52.32 H new ATOM 0 HA CYS A 28 0.221 5.595 -4.063 1.00 64.24 H new ATOM 0 HB2 CYS A 28 -2.322 5.222 -2.417 1.00 73.42 H new ATOM 0 HB3 CYS A 28 -1.982 4.355 -3.901 1.00 73.42 H new ATOM 0 HG CYS A 28 -0.659 3.865 -0.830 1.00 41.23 H new ATOM 428 N GLY A 29 -2.073 7.945 -3.927 1.00 54.15 N ATOM 429 CA GLY A 29 -2.860 8.907 -4.699 1.00 14.42 C ATOM 430 C GLY A 29 -2.019 9.736 -5.658 1.00 25.34 C ATOM 431 O GLY A 29 -2.408 9.932 -6.816 1.00 31.23 O ATOM 0 H GLY A 29 -2.077 8.125 -2.923 1.00 54.15 H new ATOM 0 HA2 GLY A 29 -3.623 8.372 -5.264 1.00 14.42 H new ATOM 0 HA3 GLY A 29 -3.381 9.574 -4.013 1.00 14.42 H new ATOM 435 N LEU A 30 -0.848 10.206 -5.176 1.00 53.51 N ATOM 436 CA LEU A 30 0.086 10.998 -6.008 1.00 65.52 C ATOM 437 C LEU A 30 0.704 10.151 -7.144 1.00 61.35 C ATOM 438 O LEU A 30 0.750 10.590 -8.302 1.00 30.11 O ATOM 439 CB LEU A 30 1.203 11.667 -5.149 1.00 62.34 C ATOM 440 CG LEU A 30 0.832 13.028 -4.457 1.00 64.45 C ATOM 441 CD1 LEU A 30 0.192 14.023 -5.450 1.00 15.40 C ATOM 442 CD2 LEU A 30 -0.050 12.848 -3.214 1.00 42.34 C ATOM 0 H LEU A 30 -0.527 10.052 -4.220 1.00 53.51 H new ATOM 0 HA LEU A 30 -0.503 11.792 -6.467 1.00 65.52 H new ATOM 0 HB2 LEU A 30 1.507 10.962 -4.375 1.00 62.34 H new ATOM 0 HB3 LEU A 30 2.071 11.834 -5.787 1.00 62.34 H new ATOM 0 HG LEU A 30 1.775 13.453 -4.114 1.00 64.45 H new ATOM 0 HD11 LEU A 30 -0.049 14.951 -4.931 1.00 15.40 H new ATOM 0 HD12 LEU A 30 0.892 14.231 -6.259 1.00 15.40 H new ATOM 0 HD13 LEU A 30 -0.720 13.590 -5.862 1.00 15.40 H new ATOM 0 HD21 LEU A 30 -0.272 13.823 -2.781 1.00 42.34 H new ATOM 0 HD22 LEU A 30 -0.981 12.356 -3.496 1.00 42.34 H new ATOM 0 HD23 LEU A 30 0.475 12.237 -2.480 1.00 42.34 H new ATOM 454 N PHE A 31 1.162 8.943 -6.811 1.00 1.22 N ATOM 455 CA PHE A 31 1.866 8.068 -7.785 1.00 62.35 C ATOM 456 C PHE A 31 0.900 7.502 -8.849 1.00 20.22 C ATOM 457 O PHE A 31 1.311 7.205 -9.980 1.00 71.45 O ATOM 458 CB PHE A 31 2.652 6.966 -7.037 1.00 12.22 C ATOM 459 CG PHE A 31 3.602 7.551 -5.977 1.00 73.24 C ATOM 460 CD1 PHE A 31 4.454 8.620 -6.289 1.00 10.53 C ATOM 461 CD2 PHE A 31 3.613 7.074 -4.672 1.00 10.33 C ATOM 462 CE1 PHE A 31 5.278 9.180 -5.328 1.00 54.01 C ATOM 463 CE2 PHE A 31 4.435 7.638 -3.713 1.00 54.00 C ATOM 464 CZ PHE A 31 5.266 8.688 -4.039 1.00 74.31 C ATOM 0 H PHE A 31 1.065 8.538 -5.880 1.00 1.22 H new ATOM 0 HA PHE A 31 2.590 8.669 -8.336 1.00 62.35 H new ATOM 0 HB2 PHE A 31 1.951 6.283 -6.557 1.00 12.22 H new ATOM 0 HB3 PHE A 31 3.227 6.381 -7.755 1.00 12.22 H new ATOM 0 HD1 PHE A 31 4.468 9.013 -7.295 1.00 10.53 H new ATOM 0 HD2 PHE A 31 2.969 6.250 -4.402 1.00 10.33 H new ATOM 0 HE1 PHE A 31 5.930 10.001 -5.587 1.00 54.01 H new ATOM 0 HE2 PHE A 31 4.426 7.254 -2.704 1.00 54.00 H new ATOM 0 HZ PHE A 31 5.906 9.125 -3.287 1.00 74.31 H new ATOM 474 N ALA A 32 -0.383 7.380 -8.465 1.00 61.02 N ATOM 475 CA ALA A 32 -1.490 7.022 -9.375 1.00 52.01 C ATOM 476 C ALA A 32 -1.687 8.084 -10.473 1.00 23.24 C ATOM 477 O ALA A 32 -1.738 7.768 -11.667 1.00 72.04 O ATOM 478 CB ALA A 32 -2.793 6.883 -8.573 1.00 15.43 C ATOM 0 H ALA A 32 -0.686 7.529 -7.502 1.00 61.02 H new ATOM 0 HA ALA A 32 -1.235 6.076 -9.853 1.00 52.01 H new ATOM 0 HB1 ALA A 32 -3.608 6.619 -9.246 1.00 15.43 H new ATOM 0 HB2 ALA A 32 -2.676 6.102 -7.821 1.00 15.43 H new ATOM 0 HB3 ALA A 32 -3.020 7.829 -8.082 1.00 15.43 H new ATOM 484 N ARG A 33 -1.776 9.359 -10.035 1.00 22.11 N ATOM 485 CA ARG A 33 -2.150 10.494 -10.905 1.00 21.32 C ATOM 486 C ARG A 33 -0.959 11.009 -11.735 1.00 74.24 C ATOM 487 O ARG A 33 -1.111 11.960 -12.516 1.00 1.44 O ATOM 488 CB ARG A 33 -2.744 11.646 -10.043 1.00 4.24 C ATOM 489 CG ARG A 33 -1.727 12.350 -9.123 1.00 45.32 C ATOM 490 CD ARG A 33 -2.372 13.406 -8.219 1.00 45.11 C ATOM 491 NE ARG A 33 -3.030 14.468 -8.999 1.00 42.53 N ATOM 492 CZ ARG A 33 -3.997 15.279 -8.554 1.00 31.41 C ATOM 493 NH1 ARG A 33 -4.458 15.183 -7.306 1.00 34.33 N ATOM 494 NH2 ARG A 33 -4.498 16.197 -9.372 1.00 71.20 N ATOM 0 H ARG A 33 -1.591 9.629 -9.069 1.00 22.11 H new ATOM 0 HA ARG A 33 -2.902 10.136 -11.609 1.00 21.32 H new ATOM 0 HB2 ARG A 33 -3.187 12.388 -10.707 1.00 4.24 H new ATOM 0 HB3 ARG A 33 -3.551 11.244 -9.430 1.00 4.24 H new ATOM 0 HG2 ARG A 33 -1.228 11.605 -8.504 1.00 45.32 H new ATOM 0 HG3 ARG A 33 -0.958 12.823 -9.734 1.00 45.32 H new ATOM 0 HD2 ARG A 33 -3.103 12.928 -7.567 1.00 45.11 H new ATOM 0 HD3 ARG A 33 -1.611 13.847 -7.575 1.00 45.11 H new ATOM 0 HE ARG A 33 -2.722 14.597 -9.963 1.00 42.53 H new ATOM 0 HH11 ARG A 33 -4.073 14.482 -6.673 1.00 34.33 H new ATOM 0 HH12 ARG A 33 -5.196 15.810 -6.985 1.00 34.33 H new ATOM 0 HH21 ARG A 33 -4.145 16.277 -10.326 1.00 71.20 H new ATOM 0 HH22 ARG A 33 -5.235 16.822 -9.047 1.00 71.20 H new ATOM 508 N ARG A 34 0.228 10.385 -11.557 1.00 51.35 N ATOM 509 CA ARG A 34 1.434 10.742 -12.313 1.00 1.31 C ATOM 510 C ARG A 34 1.240 10.365 -13.788 1.00 55.44 C ATOM 511 O ARG A 34 1.295 11.238 -14.654 1.00 63.04 O ATOM 512 CB ARG A 34 2.688 10.055 -11.689 1.00 34.34 C ATOM 513 CG ARG A 34 4.051 10.394 -12.369 1.00 13.31 C ATOM 514 CD ARG A 34 4.444 9.423 -13.502 1.00 10.11 C ATOM 515 NE ARG A 34 4.712 8.064 -12.995 1.00 64.41 N ATOM 516 CZ ARG A 34 5.305 7.075 -13.688 1.00 24.52 C ATOM 517 NH1 ARG A 34 5.707 7.243 -14.947 1.00 70.22 N ATOM 518 NH2 ARG A 34 5.502 5.908 -13.108 1.00 74.24 N ATOM 0 H ARG A 34 0.369 9.627 -10.889 1.00 51.35 H new ATOM 0 HA ARG A 34 1.601 11.818 -12.260 1.00 1.31 H new ATOM 0 HB2 ARG A 34 2.748 10.335 -10.637 1.00 34.34 H new ATOM 0 HB3 ARG A 34 2.544 8.975 -11.724 1.00 34.34 H new ATOM 0 HG2 ARG A 34 4.003 11.406 -12.771 1.00 13.31 H new ATOM 0 HG3 ARG A 34 4.835 10.389 -11.612 1.00 13.31 H new ATOM 0 HD2 ARG A 34 3.643 9.383 -14.240 1.00 10.11 H new ATOM 0 HD3 ARG A 34 5.330 9.801 -14.013 1.00 10.11 H new ATOM 0 HE ARG A 34 4.424 7.857 -12.039 1.00 64.41 H new ATOM 0 HH11 ARG A 34 5.568 8.141 -15.411 1.00 70.22 H new ATOM 0 HH12 ARG A 34 6.154 6.474 -15.447 1.00 70.22 H new ATOM 0 HH21 ARG A 34 5.206 5.762 -12.143 1.00 74.24 H new ATOM 0 HH22 ARG A 34 5.951 5.151 -13.624 1.00 74.24 H new ATOM 532 N ALA A 35 1.018 9.057 -14.035 1.00 61.15 N ATOM 533 CA ALA A 35 0.811 8.496 -15.390 1.00 12.42 C ATOM 534 C ALA A 35 0.617 6.980 -15.295 1.00 4.22 C ATOM 535 O ALA A 35 -0.447 6.445 -15.619 1.00 14.53 O ATOM 536 CB ALA A 35 2.001 8.819 -16.332 1.00 20.00 C ATOM 0 H ALA A 35 0.977 8.355 -13.296 1.00 61.15 H new ATOM 0 HA ALA A 35 -0.081 8.957 -15.813 1.00 12.42 H new ATOM 0 HB1 ALA A 35 1.812 8.391 -17.316 1.00 20.00 H new ATOM 0 HB2 ALA A 35 2.111 9.900 -16.421 1.00 20.00 H new ATOM 0 HB3 ALA A 35 2.916 8.394 -15.921 1.00 20.00 H new ATOM 542 N PHE A 36 1.671 6.301 -14.817 1.00 54.51 N ATOM 543 CA PHE A 36 1.767 4.831 -14.817 1.00 4.41 C ATOM 544 C PHE A 36 1.194 4.251 -13.499 1.00 50.42 C ATOM 545 O PHE A 36 0.982 4.980 -12.520 1.00 54.41 O ATOM 546 CB PHE A 36 3.261 4.422 -15.025 1.00 51.25 C ATOM 547 CG PHE A 36 3.515 2.921 -15.210 1.00 54.34 C ATOM 548 CD1 PHE A 36 3.291 2.307 -16.438 1.00 11.03 C ATOM 549 CD2 PHE A 36 3.978 2.127 -14.156 1.00 52.12 C ATOM 550 CE1 PHE A 36 3.516 0.953 -16.608 1.00 63.10 C ATOM 551 CE2 PHE A 36 4.202 0.775 -14.327 1.00 30.14 C ATOM 552 CZ PHE A 36 3.971 0.192 -15.553 1.00 44.31 C ATOM 0 H PHE A 36 2.489 6.760 -14.416 1.00 54.51 H new ATOM 0 HA PHE A 36 1.174 4.419 -15.634 1.00 4.41 H new ATOM 0 HB2 PHE A 36 3.645 4.948 -15.899 1.00 51.25 H new ATOM 0 HB3 PHE A 36 3.837 4.767 -14.166 1.00 51.25 H new ATOM 0 HD1 PHE A 36 2.936 2.896 -17.271 1.00 11.03 H new ATOM 0 HD2 PHE A 36 4.163 2.578 -13.193 1.00 52.12 H new ATOM 0 HE1 PHE A 36 3.335 0.492 -17.568 1.00 63.10 H new ATOM 0 HE2 PHE A 36 4.557 0.176 -13.501 1.00 30.14 H new ATOM 0 HZ PHE A 36 4.147 -0.865 -15.688 1.00 44.31 H new ATOM 562 N ASN A 37 0.967 2.927 -13.513 1.00 14.24 N ATOM 563 CA ASN A 37 0.478 2.125 -12.370 1.00 42.24 C ATOM 564 C ASN A 37 1.549 2.033 -11.260 1.00 55.42 C ATOM 565 O ASN A 37 2.660 2.538 -11.414 1.00 25.15 O ATOM 566 CB ASN A 37 0.141 0.679 -12.871 1.00 2.24 C ATOM 567 CG ASN A 37 -0.758 0.612 -14.116 1.00 34.51 C ATOM 568 OD1 ASN A 37 -0.803 1.526 -14.940 1.00 34.50 O ATOM 569 ND2 ASN A 37 -1.455 -0.491 -14.282 1.00 22.34 N ATOM 0 H ASN A 37 1.123 2.362 -14.348 1.00 14.24 H new ATOM 0 HA ASN A 37 -0.409 2.608 -11.960 1.00 42.24 H new ATOM 0 HB2 ASN A 37 1.075 0.160 -13.088 1.00 2.24 H new ATOM 0 HB3 ASN A 37 -0.345 0.135 -12.061 1.00 2.24 H new ATOM 0 HD21 ASN A 37 -2.047 -0.601 -15.105 1.00 22.34 H new ATOM 0 HD22 ASN A 37 -1.404 -1.236 -13.587 1.00 22.34 H new ATOM 576 N VAL A 38 1.209 1.376 -10.143 1.00 51.02 N ATOM 577 CA VAL A 38 2.198 0.951 -9.127 1.00 54.12 C ATOM 578 C VAL A 38 2.448 -0.552 -9.288 1.00 51.35 C ATOM 579 O VAL A 38 1.501 -1.331 -9.421 1.00 13.43 O ATOM 580 CB VAL A 38 1.738 1.271 -7.653 1.00 74.40 C ATOM 581 CG1 VAL A 38 2.666 0.609 -6.604 1.00 52.41 C ATOM 582 CG2 VAL A 38 1.681 2.795 -7.424 1.00 62.10 C ATOM 0 H VAL A 38 0.248 1.122 -9.913 1.00 51.02 H new ATOM 0 HA VAL A 38 3.115 1.516 -9.292 1.00 54.12 H new ATOM 0 HB VAL A 38 0.740 0.852 -7.525 1.00 74.40 H new ATOM 0 HG11 VAL A 38 2.315 0.854 -5.602 1.00 52.41 H new ATOM 0 HG12 VAL A 38 2.654 -0.473 -6.739 1.00 52.41 H new ATOM 0 HG13 VAL A 38 3.683 0.979 -6.733 1.00 52.41 H new ATOM 0 HG21 VAL A 38 1.362 2.998 -6.402 1.00 62.10 H new ATOM 0 HG22 VAL A 38 2.669 3.225 -7.587 1.00 62.10 H new ATOM 0 HG23 VAL A 38 0.972 3.241 -8.121 1.00 62.10 H new ATOM 592 N GLU A 39 3.728 -0.932 -9.286 1.00 12.15 N ATOM 593 CA GLU A 39 4.176 -2.324 -9.405 1.00 5.53 C ATOM 594 C GLU A 39 3.998 -3.048 -8.049 1.00 51.53 C ATOM 595 O GLU A 39 3.254 -4.026 -7.952 1.00 70.54 O ATOM 596 CB GLU A 39 5.661 -2.311 -9.859 1.00 13.24 C ATOM 597 CG GLU A 39 6.326 -3.684 -10.051 1.00 5.23 C ATOM 598 CD GLU A 39 7.791 -3.548 -10.499 1.00 30.23 C ATOM 599 OE1 GLU A 39 8.024 -3.215 -11.686 1.00 23.15 O ATOM 600 OE2 GLU A 39 8.707 -3.726 -9.669 1.00 53.21 O ATOM 0 H GLU A 39 4.498 -0.269 -9.200 1.00 12.15 H new ATOM 0 HA GLU A 39 3.583 -2.866 -10.141 1.00 5.53 H new ATOM 0 HB2 GLU A 39 5.726 -1.764 -10.800 1.00 13.24 H new ATOM 0 HB3 GLU A 39 6.239 -1.751 -9.124 1.00 13.24 H new ATOM 0 HG2 GLU A 39 6.281 -4.244 -9.117 1.00 5.23 H new ATOM 0 HG3 GLU A 39 5.770 -4.257 -10.793 1.00 5.23 H new ATOM 607 N GLY A 40 4.640 -2.506 -6.994 1.00 52.33 N ATOM 608 CA GLY A 40 4.646 -3.139 -5.666 1.00 72.12 C ATOM 609 C GLY A 40 4.575 -2.126 -4.535 1.00 42.31 C ATOM 610 O GLY A 40 4.996 -0.987 -4.701 1.00 21.03 O ATOM 0 H GLY A 40 5.161 -1.630 -7.040 1.00 52.33 H new ATOM 0 HA2 GLY A 40 3.801 -3.823 -5.590 1.00 72.12 H new ATOM 0 HA3 GLY A 40 5.551 -3.737 -5.557 1.00 72.12 H new ATOM 614 N ILE A 41 3.997 -2.530 -3.388 1.00 33.12 N ATOM 615 CA ILE A 41 3.948 -1.703 -2.154 1.00 24.52 C ATOM 616 C ILE A 41 4.354 -2.572 -0.956 1.00 0.22 C ATOM 617 O ILE A 41 3.987 -3.750 -0.888 1.00 3.55 O ATOM 618 CB ILE A 41 2.507 -1.103 -1.876 1.00 23.54 C ATOM 619 CG1 ILE A 41 1.986 -0.301 -3.105 1.00 63.01 C ATOM 620 CG2 ILE A 41 2.485 -0.220 -0.598 1.00 31.44 C ATOM 621 CD1 ILE A 41 0.581 0.259 -2.960 1.00 11.52 C ATOM 0 H ILE A 41 3.548 -3.440 -3.284 1.00 33.12 H new ATOM 0 HA ILE A 41 4.634 -0.868 -2.295 1.00 24.52 H new ATOM 0 HB ILE A 41 1.837 -1.946 -1.706 1.00 23.54 H new ATOM 0 HG12 ILE A 41 2.671 0.524 -3.298 1.00 63.01 H new ATOM 0 HG13 ILE A 41 2.013 -0.949 -3.981 1.00 63.01 H new ATOM 0 HG21 ILE A 41 1.480 0.172 -0.444 1.00 31.44 H new ATOM 0 HG22 ILE A 41 2.777 -0.820 0.264 1.00 31.44 H new ATOM 0 HG23 ILE A 41 3.183 0.609 -0.716 1.00 31.44 H new ATOM 0 HD11 ILE A 41 0.310 0.800 -3.866 1.00 11.52 H new ATOM 0 HD12 ILE A 41 -0.122 -0.559 -2.801 1.00 11.52 H new ATOM 0 HD13 ILE A 41 0.546 0.938 -2.108 1.00 11.52 H new ATOM 633 N LEU A 42 5.110 -1.984 -0.014 1.00 53.31 N ATOM 634 CA LEU A 42 5.406 -2.613 1.281 1.00 11.21 C ATOM 635 C LEU A 42 5.370 -1.552 2.396 1.00 23.22 C ATOM 636 O LEU A 42 6.327 -0.818 2.595 1.00 3.44 O ATOM 637 CB LEU A 42 6.779 -3.335 1.258 1.00 54.11 C ATOM 638 CG LEU A 42 7.240 -3.970 2.614 1.00 32.12 C ATOM 639 CD1 LEU A 42 6.275 -5.066 3.098 1.00 64.31 C ATOM 640 CD2 LEU A 42 8.666 -4.505 2.503 1.00 11.34 C ATOM 0 H LEU A 42 5.531 -1.062 -0.129 1.00 53.31 H new ATOM 0 HA LEU A 42 4.643 -3.366 1.479 1.00 11.21 H new ATOM 0 HB2 LEU A 42 6.742 -4.122 0.505 1.00 54.11 H new ATOM 0 HB3 LEU A 42 7.538 -2.622 0.936 1.00 54.11 H new ATOM 0 HG LEU A 42 7.225 -3.179 3.364 1.00 32.12 H new ATOM 0 HD11 LEU A 42 6.635 -5.477 4.041 1.00 64.31 H new ATOM 0 HD12 LEU A 42 5.283 -4.639 3.244 1.00 64.31 H new ATOM 0 HD13 LEU A 42 6.222 -5.860 2.353 1.00 64.31 H new ATOM 0 HD21 LEU A 42 8.966 -4.942 3.456 1.00 11.34 H new ATOM 0 HD22 LEU A 42 8.709 -5.267 1.725 1.00 11.34 H new ATOM 0 HD23 LEU A 42 9.342 -3.689 2.249 1.00 11.34 H new ATOM 652 N CYS A 43 4.243 -1.470 3.107 1.00 35.31 N ATOM 653 CA CYS A 43 4.102 -0.592 4.278 1.00 23.21 C ATOM 654 C CYS A 43 4.533 -1.372 5.530 1.00 51.42 C ATOM 655 O CYS A 43 3.754 -2.153 6.085 1.00 12.23 O ATOM 656 CB CYS A 43 2.646 -0.096 4.382 1.00 21.34 C ATOM 657 SG CYS A 43 2.281 0.982 5.780 1.00 32.20 S ATOM 0 H CYS A 43 3.403 -2.007 2.891 1.00 35.31 H new ATOM 0 HA CYS A 43 4.740 0.287 4.182 1.00 23.21 H new ATOM 0 HB2 CYS A 43 2.397 0.435 3.463 1.00 21.34 H new ATOM 0 HB3 CYS A 43 1.989 -0.964 4.436 1.00 21.34 H new ATOM 0 HG CYS A 43 2.965 0.596 6.816 1.00 32.20 H new ATOM 663 N LEU A 44 5.817 -1.217 5.897 1.00 11.53 N ATOM 664 CA LEU A 44 6.429 -1.898 7.047 1.00 52.22 C ATOM 665 C LEU A 44 6.301 -0.990 8.295 1.00 25.22 C ATOM 666 O LEU A 44 6.905 0.093 8.313 1.00 5.24 O ATOM 667 CB LEU A 44 7.928 -2.185 6.747 1.00 63.14 C ATOM 668 CG LEU A 44 8.638 -3.232 7.664 1.00 41.42 C ATOM 669 CD1 LEU A 44 8.185 -4.661 7.314 1.00 35.10 C ATOM 670 CD2 LEU A 44 10.179 -3.100 7.588 1.00 13.32 C ATOM 0 H LEU A 44 6.465 -0.608 5.397 1.00 11.53 H new ATOM 0 HA LEU A 44 5.921 -2.844 7.232 1.00 52.22 H new ATOM 0 HB2 LEU A 44 8.009 -2.526 5.715 1.00 63.14 H new ATOM 0 HB3 LEU A 44 8.475 -1.245 6.817 1.00 63.14 H new ATOM 0 HG LEU A 44 8.344 -3.026 8.693 1.00 41.42 H new ATOM 0 HD11 LEU A 44 8.692 -5.373 7.965 1.00 35.10 H new ATOM 0 HD12 LEU A 44 7.107 -4.745 7.454 1.00 35.10 H new ATOM 0 HD13 LEU A 44 8.434 -4.878 6.275 1.00 35.10 H new ATOM 0 HD21 LEU A 44 10.640 -3.843 8.238 1.00 13.32 H new ATOM 0 HD22 LEU A 44 10.508 -3.262 6.561 1.00 13.32 H new ATOM 0 HD23 LEU A 44 10.475 -2.102 7.911 1.00 13.32 H new ATOM 682 N PRO A 45 5.518 -1.397 9.344 1.00 24.25 N ATOM 683 CA PRO A 45 5.296 -0.559 10.550 1.00 13.34 C ATOM 684 C PRO A 45 6.522 -0.515 11.493 1.00 60.31 C ATOM 685 O PRO A 45 7.255 -1.504 11.639 1.00 75.32 O ATOM 686 CB PRO A 45 4.083 -1.241 11.227 1.00 53.13 C ATOM 687 CG PRO A 45 4.187 -2.687 10.834 1.00 63.12 C ATOM 688 CD PRO A 45 4.774 -2.693 9.432 1.00 61.13 C ATOM 0 HA PRO A 45 5.127 0.488 10.298 1.00 13.34 H new ATOM 0 HB2 PRO A 45 4.116 -1.122 12.310 1.00 53.13 H new ATOM 0 HB3 PRO A 45 3.144 -0.805 10.887 1.00 53.13 H new ATOM 0 HG2 PRO A 45 4.824 -3.236 11.527 1.00 63.12 H new ATOM 0 HG3 PRO A 45 3.209 -3.168 10.851 1.00 63.12 H new ATOM 0 HD2 PRO A 45 5.437 -3.545 9.281 1.00 61.13 H new ATOM 0 HD3 PRO A 45 3.994 -2.758 8.673 1.00 61.13 H new ATOM 696 N ILE A 46 6.734 0.660 12.116 1.00 70.20 N ATOM 697 CA ILE A 46 7.814 0.902 13.089 1.00 11.20 C ATOM 698 C ILE A 46 7.207 0.884 14.508 1.00 43.33 C ATOM 699 O ILE A 46 6.230 1.591 14.775 1.00 73.40 O ATOM 700 CB ILE A 46 8.569 2.276 12.795 1.00 24.52 C ATOM 701 CG1 ILE A 46 9.507 2.175 11.539 1.00 65.04 C ATOM 702 CG2 ILE A 46 9.380 2.781 14.013 1.00 50.54 C ATOM 703 CD1 ILE A 46 8.800 2.033 10.209 1.00 25.52 C ATOM 0 H ILE A 46 6.150 1.480 11.954 1.00 70.20 H new ATOM 0 HA ILE A 46 8.563 0.115 13.003 1.00 11.20 H new ATOM 0 HB ILE A 46 7.784 3.003 12.587 1.00 24.52 H new ATOM 0 HG12 ILE A 46 10.135 3.065 11.504 1.00 65.04 H new ATOM 0 HG13 ILE A 46 10.171 1.321 11.671 1.00 65.04 H new ATOM 0 HG21 ILE A 46 9.873 3.719 13.758 1.00 50.54 H new ATOM 0 HG22 ILE A 46 8.708 2.942 14.856 1.00 50.54 H new ATOM 0 HG23 ILE A 46 10.130 2.038 14.284 1.00 50.54 H new ATOM 0 HD11 ILE A 46 9.538 1.972 9.409 1.00 25.52 H new ATOM 0 HD12 ILE A 46 8.194 1.127 10.214 1.00 25.52 H new ATOM 0 HD13 ILE A 46 8.158 2.898 10.044 1.00 25.52 H new ATOM 715 N GLN A 47 7.777 0.056 15.403 1.00 62.14 N ATOM 716 CA GLN A 47 7.302 -0.073 16.802 1.00 65.44 C ATOM 717 C GLN A 47 7.907 1.025 17.689 1.00 35.14 C ATOM 718 O GLN A 47 7.297 1.435 18.684 1.00 54.42 O ATOM 719 CB GLN A 47 7.646 -1.478 17.378 1.00 4.14 C ATOM 720 CG GLN A 47 9.154 -1.827 17.397 1.00 62.33 C ATOM 721 CD GLN A 47 9.471 -3.221 17.959 1.00 0.15 C ATOM 722 OE1 GLN A 47 8.770 -3.734 18.835 1.00 20.42 O ATOM 723 NE2 GLN A 47 10.536 -3.845 17.467 1.00 15.32 N ATOM 0 H GLN A 47 8.575 -0.541 15.183 1.00 62.14 H new ATOM 0 HA GLN A 47 6.218 0.043 16.797 1.00 65.44 H new ATOM 0 HB2 GLN A 47 7.261 -1.541 18.396 1.00 4.14 H new ATOM 0 HB3 GLN A 47 7.121 -2.233 16.792 1.00 4.14 H new ATOM 0 HG2 GLN A 47 9.544 -1.760 16.381 1.00 62.33 H new ATOM 0 HG3 GLN A 47 9.681 -1.080 17.991 1.00 62.33 H new ATOM 0 HE21 GLN A 47 11.099 -3.399 16.743 1.00 15.32 H new ATOM 0 HE22 GLN A 47 10.790 -4.770 17.813 1.00 15.32 H new ATOM 732 N ASP A 48 9.114 1.487 17.304 1.00 44.32 N ATOM 733 CA ASP A 48 9.912 2.462 18.075 1.00 43.32 C ATOM 734 C ASP A 48 9.164 3.805 18.242 1.00 24.24 C ATOM 735 O ASP A 48 9.184 4.423 19.312 1.00 52.25 O ATOM 736 CB ASP A 48 11.275 2.675 17.369 1.00 42.43 C ATOM 737 CG ASP A 48 12.225 3.620 18.127 1.00 54.04 C ATOM 738 OD1 ASP A 48 12.993 3.142 18.996 1.00 3.11 O ATOM 739 OD2 ASP A 48 12.220 4.846 17.852 1.00 54.11 O ATOM 0 H ASP A 48 9.567 1.190 16.440 1.00 44.32 H new ATOM 0 HA ASP A 48 10.078 2.064 19.076 1.00 43.32 H new ATOM 0 HB2 ASP A 48 11.763 1.709 17.242 1.00 42.43 H new ATOM 0 HB3 ASP A 48 11.098 3.076 16.371 1.00 42.43 H new ATOM 744 N SER A 49 8.507 4.230 17.159 1.00 62.12 N ATOM 745 CA SER A 49 7.701 5.464 17.091 1.00 51.24 C ATOM 746 C SER A 49 6.546 5.251 16.097 1.00 13.00 C ATOM 747 O SER A 49 6.622 4.344 15.260 1.00 42.53 O ATOM 748 CB SER A 49 8.583 6.656 16.649 1.00 64.43 C ATOM 749 OG SER A 49 9.665 6.873 17.543 1.00 14.52 O ATOM 0 H SER A 49 8.518 3.715 16.279 1.00 62.12 H new ATOM 0 HA SER A 49 7.294 5.691 18.076 1.00 51.24 H new ATOM 0 HB2 SER A 49 8.971 6.469 15.648 1.00 64.43 H new ATOM 0 HB3 SER A 49 7.973 7.558 16.591 1.00 64.43 H new ATOM 0 HG SER A 49 10.308 6.138 17.463 1.00 14.52 H new ATOM 755 N ASP A 50 5.482 6.087 16.177 1.00 42.14 N ATOM 756 CA ASP A 50 4.303 5.964 15.284 1.00 34.21 C ATOM 757 C ASP A 50 4.667 6.373 13.831 1.00 11.31 C ATOM 758 O ASP A 50 4.440 7.493 13.396 1.00 30.20 O ATOM 759 CB ASP A 50 3.076 6.766 15.835 1.00 74.21 C ATOM 760 CG ASP A 50 3.317 8.284 15.990 1.00 54.40 C ATOM 761 OD1 ASP A 50 4.050 8.682 16.924 1.00 74.40 O ATOM 762 OD2 ASP A 50 2.805 9.081 15.169 1.00 2.01 O ATOM 0 H ASP A 50 5.416 6.852 16.849 1.00 42.14 H new ATOM 0 HA ASP A 50 4.004 4.916 15.262 1.00 34.21 H new ATOM 0 HB2 ASP A 50 2.229 6.612 15.167 1.00 74.21 H new ATOM 0 HB3 ASP A 50 2.796 6.355 16.805 1.00 74.21 H new ATOM 767 N LYS A 51 5.298 5.440 13.106 1.00 73.14 N ATOM 768 CA LYS A 51 5.771 5.627 11.720 1.00 51.21 C ATOM 769 C LYS A 51 5.626 4.312 10.948 1.00 31.51 C ATOM 770 O LYS A 51 5.420 3.247 11.537 1.00 3.34 O ATOM 771 CB LYS A 51 7.255 6.105 11.678 1.00 42.45 C ATOM 772 CG LYS A 51 7.490 7.550 12.183 1.00 10.12 C ATOM 773 CD LYS A 51 8.978 7.969 12.154 1.00 21.24 C ATOM 774 CE LYS A 51 9.853 7.121 13.097 1.00 33.24 C ATOM 775 NZ LYS A 51 11.287 7.511 13.028 1.00 64.35 N ATOM 0 H LYS A 51 5.501 4.510 13.472 1.00 73.14 H new ATOM 0 HA LYS A 51 5.160 6.400 11.255 1.00 51.21 H new ATOM 0 HB2 LYS A 51 7.858 5.424 12.278 1.00 42.45 H new ATOM 0 HB3 LYS A 51 7.616 6.031 10.652 1.00 42.45 H new ATOM 0 HG2 LYS A 51 6.912 8.241 11.569 1.00 10.12 H new ATOM 0 HG3 LYS A 51 7.114 7.638 13.202 1.00 10.12 H new ATOM 0 HD2 LYS A 51 9.357 7.880 11.136 1.00 21.24 H new ATOM 0 HD3 LYS A 51 9.061 9.019 12.434 1.00 21.24 H new ATOM 0 HE2 LYS A 51 9.496 7.232 14.121 1.00 33.24 H new ATOM 0 HE3 LYS A 51 9.751 6.067 12.837 1.00 33.24 H new ATOM 0 HZ1 LYS A 51 11.840 6.916 13.677 1.00 64.35 H new ATOM 0 HZ2 LYS A 51 11.636 7.381 12.057 1.00 64.35 H new ATOM 0 HZ3 LYS A 51 11.389 8.509 13.301 1.00 64.35 H new ATOM 789 N SER A 52 5.753 4.418 9.626 1.00 34.32 N ATOM 790 CA SER A 52 5.735 3.290 8.706 1.00 22.42 C ATOM 791 C SER A 52 6.455 3.711 7.418 1.00 32.14 C ATOM 792 O SER A 52 6.190 4.797 6.886 1.00 63.22 O ATOM 793 CB SER A 52 4.287 2.847 8.399 1.00 64.00 C ATOM 794 OG SER A 52 4.277 1.667 7.612 1.00 2.21 O ATOM 0 H SER A 52 5.874 5.315 9.157 1.00 34.32 H new ATOM 0 HA SER A 52 6.243 2.439 9.159 1.00 22.42 H new ATOM 0 HB2 SER A 52 3.750 2.672 9.331 1.00 64.00 H new ATOM 0 HB3 SER A 52 3.762 3.644 7.873 1.00 64.00 H new ATOM 0 HG SER A 52 3.868 1.858 6.742 1.00 2.21 H new ATOM 800 N HIS A 53 7.392 2.877 6.936 1.00 35.25 N ATOM 801 CA HIS A 53 8.070 3.119 5.654 1.00 12.00 C ATOM 802 C HIS A 53 7.350 2.329 4.556 1.00 75.21 C ATOM 803 O HIS A 53 7.079 1.147 4.732 1.00 43.12 O ATOM 804 CB HIS A 53 9.568 2.719 5.690 1.00 12.40 C ATOM 805 CG HIS A 53 10.416 3.451 6.697 1.00 25.50 C ATOM 806 ND1 HIS A 53 10.659 4.805 6.647 1.00 25.53 N ATOM 807 CD2 HIS A 53 11.099 3.000 7.780 1.00 10.52 C ATOM 808 CE1 HIS A 53 11.446 5.146 7.650 1.00 32.10 C ATOM 809 NE2 HIS A 53 11.728 4.074 8.347 1.00 24.45 N ATOM 0 H HIS A 53 7.696 2.030 7.416 1.00 35.25 H new ATOM 0 HA HIS A 53 8.030 4.189 5.450 1.00 12.00 H new ATOM 0 HB2 HIS A 53 9.635 1.650 5.895 1.00 12.40 H new ATOM 0 HB3 HIS A 53 9.992 2.881 4.699 1.00 12.40 H new ATOM 0 HD2 HIS A 53 11.139 1.979 8.130 1.00 10.52 H new ATOM 0 HE1 HIS A 53 11.799 6.145 7.861 1.00 32.10 H new ATOM 0 HE2 HIS A 53 12.320 4.045 9.177 1.00 24.45 H new ATOM 818 N ILE A 54 7.016 2.996 3.440 1.00 25.33 N ATOM 819 CA ILE A 54 6.391 2.351 2.276 1.00 3.14 C ATOM 820 C ILE A 54 7.461 2.186 1.181 1.00 2.14 C ATOM 821 O ILE A 54 8.047 3.174 0.759 1.00 42.41 O ATOM 822 CB ILE A 54 5.145 3.172 1.718 1.00 52.20 C ATOM 823 CG1 ILE A 54 3.920 3.143 2.704 1.00 43.32 C ATOM 824 CG2 ILE A 54 4.703 2.646 0.328 1.00 34.22 C ATOM 825 CD1 ILE A 54 4.110 3.871 4.021 1.00 31.20 C ATOM 0 H ILE A 54 7.172 3.997 3.320 1.00 25.33 H new ATOM 0 HA ILE A 54 6.004 1.380 2.585 1.00 3.14 H new ATOM 0 HB ILE A 54 5.479 4.205 1.622 1.00 52.20 H new ATOM 0 HG12 ILE A 54 3.058 3.574 2.194 1.00 43.32 H new ATOM 0 HG13 ILE A 54 3.676 2.103 2.918 1.00 43.32 H new ATOM 0 HG21 ILE A 54 3.851 3.226 -0.026 1.00 34.22 H new ATOM 0 HG22 ILE A 54 5.528 2.745 -0.378 1.00 34.22 H new ATOM 0 HG23 ILE A 54 4.419 1.597 0.409 1.00 34.22 H new ATOM 0 HD11 ILE A 54 3.203 3.784 4.619 1.00 31.20 H new ATOM 0 HD12 ILE A 54 4.946 3.429 4.564 1.00 31.20 H new ATOM 0 HD13 ILE A 54 4.318 4.923 3.828 1.00 31.20 H new ATOM 837 N TRP A 55 7.738 0.933 0.766 1.00 32.21 N ATOM 838 CA TRP A 55 8.573 0.638 -0.410 1.00 42.43 C ATOM 839 C TRP A 55 7.654 0.611 -1.635 1.00 22.44 C ATOM 840 O TRP A 55 6.975 -0.386 -1.900 1.00 4.44 O ATOM 841 CB TRP A 55 9.325 -0.717 -0.229 1.00 31.44 C ATOM 842 CG TRP A 55 10.507 -0.644 0.722 1.00 21.53 C ATOM 843 CD1 TRP A 55 11.828 -0.620 0.388 1.00 35.22 C ATOM 844 CD2 TRP A 55 10.476 -0.584 2.154 1.00 51.52 C ATOM 845 NE1 TRP A 55 12.606 -0.520 1.508 1.00 3.15 N ATOM 846 CE2 TRP A 55 11.806 -0.499 2.604 1.00 12.31 C ATOM 847 CE3 TRP A 55 9.462 -0.591 3.091 1.00 54.53 C ATOM 848 CZ2 TRP A 55 12.140 -0.416 3.949 1.00 32.11 C ATOM 849 CZ3 TRP A 55 9.790 -0.511 4.422 1.00 73.00 C ATOM 850 CH2 TRP A 55 11.119 -0.425 4.846 1.00 13.02 C ATOM 0 H TRP A 55 7.388 0.100 1.238 1.00 32.21 H new ATOM 0 HA TRP A 55 9.338 1.404 -0.538 1.00 42.43 H new ATOM 0 HB2 TRP A 55 8.622 -1.465 0.138 1.00 31.44 H new ATOM 0 HB3 TRP A 55 9.675 -1.059 -1.203 1.00 31.44 H new ATOM 0 HD1 TRP A 55 12.208 -0.673 -0.622 1.00 35.22 H new ATOM 0 HE1 TRP A 55 13.625 -0.469 1.518 1.00 3.15 H new ATOM 0 HE3 TRP A 55 8.429 -0.658 2.783 1.00 54.53 H new ATOM 0 HZ2 TRP A 55 13.169 -0.347 4.269 1.00 32.11 H new ATOM 0 HZ3 TRP A 55 9.001 -0.515 5.160 1.00 73.00 H new ATOM 0 HH2 TRP A 55 11.338 -0.365 5.902 1.00 13.02 H new ATOM 861 N LEU A 56 7.583 1.755 -2.320 1.00 45.40 N ATOM 862 CA LEU A 56 6.715 1.963 -3.483 1.00 65.45 C ATOM 863 C LEU A 56 7.545 1.695 -4.759 1.00 4.24 C ATOM 864 O LEU A 56 8.396 2.497 -5.138 1.00 24.31 O ATOM 865 CB LEU A 56 6.149 3.423 -3.439 1.00 74.42 C ATOM 866 CG LEU A 56 4.846 3.749 -4.257 1.00 51.50 C ATOM 867 CD1 LEU A 56 5.021 3.602 -5.785 1.00 73.32 C ATOM 868 CD2 LEU A 56 3.641 2.930 -3.747 1.00 45.35 C ATOM 0 H LEU A 56 8.136 2.577 -2.078 1.00 45.40 H new ATOM 0 HA LEU A 56 5.865 1.280 -3.478 1.00 65.45 H new ATOM 0 HB2 LEU A 56 5.956 3.672 -2.396 1.00 74.42 H new ATOM 0 HB3 LEU A 56 6.935 4.094 -3.787 1.00 74.42 H new ATOM 0 HG LEU A 56 4.642 4.805 -4.081 1.00 51.50 H new ATOM 0 HD11 LEU A 56 4.082 3.843 -6.284 1.00 73.32 H new ATOM 0 HD12 LEU A 56 5.800 4.283 -6.129 1.00 73.32 H new ATOM 0 HD13 LEU A 56 5.305 2.577 -6.022 1.00 73.32 H new ATOM 0 HD21 LEU A 56 2.757 3.179 -4.334 1.00 45.35 H new ATOM 0 HD22 LEU A 56 3.855 1.866 -3.848 1.00 45.35 H new ATOM 0 HD23 LEU A 56 3.459 3.165 -2.698 1.00 45.35 H new ATOM 880 N LEU A 57 7.289 0.554 -5.401 1.00 61.21 N ATOM 881 CA LEU A 57 7.964 0.140 -6.642 1.00 51.23 C ATOM 882 C LEU A 57 7.173 0.683 -7.833 1.00 52.01 C ATOM 883 O LEU A 57 6.010 0.315 -8.018 1.00 55.12 O ATOM 884 CB LEU A 57 8.077 -1.415 -6.724 1.00 72.22 C ATOM 885 CG LEU A 57 9.255 -2.086 -5.942 1.00 53.11 C ATOM 886 CD1 LEU A 57 9.263 -1.718 -4.444 1.00 11.51 C ATOM 887 CD2 LEU A 57 9.230 -3.615 -6.147 1.00 12.01 C ATOM 0 H LEU A 57 6.598 -0.121 -5.073 1.00 61.21 H new ATOM 0 HA LEU A 57 8.977 0.543 -6.655 1.00 51.23 H new ATOM 0 HB2 LEU A 57 7.143 -1.842 -6.360 1.00 72.22 H new ATOM 0 HB3 LEU A 57 8.166 -1.693 -7.774 1.00 72.22 H new ATOM 0 HG LEU A 57 10.184 -1.692 -6.354 1.00 53.11 H new ATOM 0 HD11 LEU A 57 10.101 -2.212 -3.953 1.00 11.51 H new ATOM 0 HD12 LEU A 57 9.363 -0.638 -4.335 1.00 11.51 H new ATOM 0 HD13 LEU A 57 8.330 -2.044 -3.984 1.00 11.51 H new ATOM 0 HD21 LEU A 57 10.055 -4.069 -5.598 1.00 12.01 H new ATOM 0 HD22 LEU A 57 8.285 -4.016 -5.780 1.00 12.01 H new ATOM 0 HD23 LEU A 57 9.333 -3.842 -7.208 1.00 12.01 H new ATOM 899 N VAL A 58 7.790 1.606 -8.570 1.00 52.50 N ATOM 900 CA VAL A 58 7.223 2.201 -9.800 1.00 2.10 C ATOM 901 C VAL A 58 8.380 2.648 -10.697 1.00 44.32 C ATOM 902 O VAL A 58 9.443 2.940 -10.178 1.00 33.12 O ATOM 903 CB VAL A 58 6.290 3.430 -9.463 1.00 25.35 C ATOM 904 CG1 VAL A 58 7.079 4.647 -8.921 1.00 34.52 C ATOM 905 CG2 VAL A 58 5.408 3.819 -10.668 1.00 63.33 C ATOM 0 H VAL A 58 8.712 1.973 -8.334 1.00 52.50 H new ATOM 0 HA VAL A 58 6.612 1.457 -10.311 1.00 2.10 H new ATOM 0 HB VAL A 58 5.630 3.105 -8.659 1.00 25.35 H new ATOM 0 HG11 VAL A 58 6.388 5.462 -8.706 1.00 34.52 H new ATOM 0 HG12 VAL A 58 7.602 4.364 -8.007 1.00 34.52 H new ATOM 0 HG13 VAL A 58 7.804 4.973 -9.667 1.00 34.52 H new ATOM 0 HG21 VAL A 58 4.779 4.668 -10.400 1.00 63.33 H new ATOM 0 HG22 VAL A 58 6.043 4.090 -11.511 1.00 63.33 H new ATOM 0 HG23 VAL A 58 4.778 2.974 -10.945 1.00 63.33 H new ATOM 915 N ASN A 59 8.212 2.687 -12.023 1.00 74.12 N ATOM 916 CA ASN A 59 9.223 3.342 -12.882 1.00 10.32 C ATOM 917 C ASN A 59 9.205 4.862 -12.647 1.00 5.22 C ATOM 918 O ASN A 59 8.138 5.479 -12.641 1.00 13.30 O ATOM 919 CB ASN A 59 9.047 3.011 -14.383 1.00 73.31 C ATOM 920 CG ASN A 59 7.631 3.213 -14.914 1.00 11.34 C ATOM 921 OD1 ASN A 59 7.174 4.336 -15.166 1.00 72.05 O ATOM 922 ND2 ASN A 59 6.942 2.118 -15.153 1.00 61.25 N ATOM 0 H ASN A 59 7.415 2.289 -12.519 1.00 74.12 H new ATOM 0 HA ASN A 59 10.196 2.943 -12.597 1.00 10.32 H new ATOM 0 HB2 ASN A 59 9.730 3.632 -14.962 1.00 73.31 H new ATOM 0 HB3 ASN A 59 9.340 1.974 -14.550 1.00 73.31 H new ATOM 0 HD21 ASN A 59 6.007 2.181 -15.556 1.00 61.25 H new ATOM 0 HD22 ASN A 59 7.343 1.206 -14.936 1.00 61.25 H new ATOM 929 N ASP A 60 10.389 5.446 -12.398 1.00 20.40 N ATOM 930 CA ASP A 60 10.550 6.897 -12.213 1.00 60.42 C ATOM 931 C ASP A 60 10.247 7.649 -13.513 1.00 31.04 C ATOM 932 O ASP A 60 10.373 7.103 -14.619 1.00 32.42 O ATOM 933 CB ASP A 60 11.968 7.237 -11.698 1.00 42.12 C ATOM 934 CG ASP A 60 12.197 8.736 -11.370 1.00 2.54 C ATOM 935 OD1 ASP A 60 11.775 9.196 -10.281 1.00 63.30 O ATOM 936 OD2 ASP A 60 12.820 9.453 -12.194 1.00 70.32 O ATOM 0 H ASP A 60 11.262 4.924 -12.319 1.00 20.40 H new ATOM 0 HA ASP A 60 9.833 7.221 -11.459 1.00 60.42 H new ATOM 0 HB2 ASP A 60 12.165 6.649 -10.802 1.00 42.12 H new ATOM 0 HB3 ASP A 60 12.696 6.928 -12.448 1.00 42.12 H new ATOM 941 N ASP A 61 9.838 8.893 -13.348 1.00 13.43 N ATOM 942 CA ASP A 61 9.445 9.785 -14.432 1.00 52.51 C ATOM 943 C ASP A 61 9.949 11.185 -14.061 1.00 43.33 C ATOM 944 O ASP A 61 10.098 11.491 -12.872 1.00 34.12 O ATOM 945 CB ASP A 61 7.892 9.761 -14.567 1.00 71.43 C ATOM 946 CG ASP A 61 7.323 10.308 -15.891 1.00 45.31 C ATOM 947 OD1 ASP A 61 7.707 11.411 -16.324 1.00 50.34 O ATOM 948 OD2 ASP A 61 6.483 9.608 -16.513 1.00 50.12 O ATOM 0 H ASP A 61 9.767 9.328 -12.428 1.00 13.43 H new ATOM 0 HA ASP A 61 9.869 9.481 -15.389 1.00 52.51 H new ATOM 0 HB2 ASP A 61 7.552 8.733 -14.445 1.00 71.43 H new ATOM 0 HB3 ASP A 61 7.466 10.337 -13.745 1.00 71.43 H new ATOM 953 N GLN A 62 10.179 12.033 -15.068 1.00 12.33 N ATOM 954 CA GLN A 62 10.543 13.452 -14.864 1.00 14.11 C ATOM 955 C GLN A 62 9.413 14.192 -14.122 1.00 54.13 C ATOM 956 O GLN A 62 9.656 15.090 -13.308 1.00 11.35 O ATOM 957 CB GLN A 62 10.861 14.109 -16.229 1.00 71.04 C ATOM 958 CG GLN A 62 12.019 13.426 -16.989 1.00 42.42 C ATOM 959 CD GLN A 62 12.266 13.998 -18.387 1.00 12.54 C ATOM 960 OE1 GLN A 62 12.031 15.177 -18.648 1.00 73.42 O ATOM 961 NE2 GLN A 62 12.733 13.162 -19.304 1.00 11.22 N ATOM 0 H GLN A 62 10.120 11.762 -16.050 1.00 12.33 H new ATOM 0 HA GLN A 62 11.436 13.515 -14.243 1.00 14.11 H new ATOM 0 HB2 GLN A 62 9.966 14.086 -16.851 1.00 71.04 H new ATOM 0 HB3 GLN A 62 11.111 15.158 -16.069 1.00 71.04 H new ATOM 0 HG2 GLN A 62 12.932 13.521 -16.402 1.00 42.42 H new ATOM 0 HG3 GLN A 62 11.805 12.361 -17.076 1.00 42.42 H new ATOM 0 HE21 GLN A 62 12.919 12.189 -19.060 1.00 11.22 H new ATOM 0 HE22 GLN A 62 12.906 13.492 -20.254 1.00 11.22 H new ATOM 970 N ARG A 63 8.179 13.751 -14.402 1.00 11.21 N ATOM 971 CA ARG A 63 6.958 14.235 -13.751 1.00 72.32 C ATOM 972 C ARG A 63 6.766 13.583 -12.364 1.00 73.44 C ATOM 973 O ARG A 63 6.183 14.202 -11.467 1.00 52.04 O ATOM 974 CB ARG A 63 5.759 13.953 -14.687 1.00 34.13 C ATOM 975 CG ARG A 63 4.407 14.557 -14.232 1.00 3.12 C ATOM 976 CD ARG A 63 3.354 14.548 -15.355 1.00 50.54 C ATOM 977 NE ARG A 63 3.793 15.345 -16.518 1.00 54.52 N ATOM 978 CZ ARG A 63 3.210 15.353 -17.726 1.00 22.41 C ATOM 979 NH1 ARG A 63 2.128 14.617 -17.982 1.00 12.31 N ATOM 980 NH2 ARG A 63 3.719 16.119 -18.682 1.00 72.01 N ATOM 0 H ARG A 63 8.000 13.032 -15.103 1.00 11.21 H new ATOM 0 HA ARG A 63 7.034 15.308 -13.577 1.00 72.32 H new ATOM 0 HB2 ARG A 63 5.995 14.339 -15.679 1.00 34.13 H new ATOM 0 HB3 ARG A 63 5.641 12.874 -14.784 1.00 34.13 H new ATOM 0 HG2 ARG A 63 4.029 13.994 -13.379 1.00 3.12 H new ATOM 0 HG3 ARG A 63 4.565 15.581 -13.894 1.00 3.12 H new ATOM 0 HD2 ARG A 63 3.164 13.521 -15.668 1.00 50.54 H new ATOM 0 HD3 ARG A 63 2.413 14.945 -14.975 1.00 50.54 H new ATOM 0 HE ARG A 63 4.611 15.941 -16.392 1.00 54.52 H new ATOM 0 HH11 ARG A 63 1.725 14.031 -17.251 1.00 12.31 H new ATOM 0 HH12 ARG A 63 1.703 14.640 -18.909 1.00 12.31 H new ATOM 0 HH21 ARG A 63 4.542 16.691 -18.493 1.00 72.01 H new ATOM 0 HH22 ARG A 63 3.287 16.136 -19.606 1.00 72.01 H new ATOM 994 N LEU A 64 7.274 12.332 -12.185 1.00 21.42 N ATOM 995 CA LEU A 64 7.206 11.621 -10.882 1.00 71.25 C ATOM 996 C LEU A 64 8.047 12.363 -9.830 1.00 72.21 C ATOM 997 O LEU A 64 7.656 12.432 -8.680 1.00 35.11 O ATOM 998 CB LEU A 64 7.708 10.152 -10.970 1.00 74.41 C ATOM 999 CG LEU A 64 7.423 9.251 -9.704 1.00 21.15 C ATOM 1000 CD1 LEU A 64 6.021 8.618 -9.753 1.00 74.54 C ATOM 1001 CD2 LEU A 64 8.488 8.162 -9.499 1.00 23.34 C ATOM 0 H LEU A 64 7.732 11.800 -12.924 1.00 21.42 H new ATOM 0 HA LEU A 64 6.154 11.602 -10.596 1.00 71.25 H new ATOM 0 HB2 LEU A 64 7.247 9.682 -11.838 1.00 74.41 H new ATOM 0 HB3 LEU A 64 8.783 10.165 -11.148 1.00 74.41 H new ATOM 0 HG LEU A 64 7.469 9.924 -8.847 1.00 21.15 H new ATOM 0 HD11 LEU A 64 5.866 8.007 -8.864 1.00 74.54 H new ATOM 0 HD12 LEU A 64 5.268 9.405 -9.788 1.00 74.54 H new ATOM 0 HD13 LEU A 64 5.935 7.993 -10.642 1.00 74.54 H new ATOM 0 HD21 LEU A 64 8.241 7.574 -8.615 1.00 23.34 H new ATOM 0 HD22 LEU A 64 8.515 7.511 -10.373 1.00 23.34 H new ATOM 0 HD23 LEU A 64 9.464 8.628 -9.364 1.00 23.34 H new ATOM 1013 N GLU A 65 9.205 12.914 -10.273 1.00 31.40 N ATOM 1014 CA GLU A 65 10.108 13.726 -9.425 1.00 32.04 C ATOM 1015 C GLU A 65 9.355 14.921 -8.805 1.00 21.21 C ATOM 1016 O GLU A 65 9.416 15.143 -7.596 1.00 71.14 O ATOM 1017 CB GLU A 65 11.307 14.250 -10.257 1.00 64.04 C ATOM 1018 CG GLU A 65 12.164 13.169 -10.930 1.00 31.51 C ATOM 1019 CD GLU A 65 13.328 13.771 -11.727 1.00 3.24 C ATOM 1020 OE1 GLU A 65 13.132 14.144 -12.899 1.00 4.44 O ATOM 1021 OE2 GLU A 65 14.438 13.904 -11.183 1.00 60.13 O ATOM 0 H GLU A 65 9.538 12.806 -11.231 1.00 31.40 H new ATOM 0 HA GLU A 65 10.476 13.086 -8.623 1.00 32.04 H new ATOM 0 HB2 GLU A 65 10.927 14.921 -11.028 1.00 64.04 H new ATOM 0 HB3 GLU A 65 11.948 14.844 -9.605 1.00 64.04 H new ATOM 0 HG2 GLU A 65 12.556 12.493 -10.171 1.00 31.51 H new ATOM 0 HG3 GLU A 65 11.539 12.573 -11.595 1.00 31.51 H new ATOM 1028 N GLN A 66 8.619 15.645 -9.671 1.00 24.21 N ATOM 1029 CA GLN A 66 7.773 16.792 -9.282 1.00 15.34 C ATOM 1030 C GLN A 66 6.666 16.348 -8.299 1.00 12.32 C ATOM 1031 O GLN A 66 6.371 17.040 -7.317 1.00 11.40 O ATOM 1032 CB GLN A 66 7.140 17.415 -10.559 1.00 2.21 C ATOM 1033 CG GLN A 66 6.195 18.607 -10.299 1.00 13.25 C ATOM 1034 CD GLN A 66 5.413 19.033 -11.539 1.00 2.55 C ATOM 1035 OE1 GLN A 66 5.856 19.883 -12.310 1.00 61.22 O ATOM 1036 NE2 GLN A 66 4.260 18.414 -11.764 1.00 35.53 N ATOM 0 H GLN A 66 8.595 15.448 -10.672 1.00 24.21 H new ATOM 0 HA GLN A 66 8.391 17.536 -8.779 1.00 15.34 H new ATOM 0 HB2 GLN A 66 7.941 17.743 -11.221 1.00 2.21 H new ATOM 0 HB3 GLN A 66 6.586 16.639 -11.088 1.00 2.21 H new ATOM 0 HG2 GLN A 66 5.494 18.341 -9.508 1.00 13.25 H new ATOM 0 HG3 GLN A 66 6.779 19.453 -9.936 1.00 13.25 H new ATOM 0 HE21 GLN A 66 3.920 17.714 -11.105 1.00 35.53 H new ATOM 0 HE22 GLN A 66 3.714 18.639 -12.596 1.00 35.53 H new ATOM 1045 N MET A 67 6.095 15.167 -8.581 1.00 23.12 N ATOM 1046 CA MET A 67 4.997 14.574 -7.802 1.00 61.32 C ATOM 1047 C MET A 67 5.474 14.202 -6.373 1.00 62.14 C ATOM 1048 O MET A 67 4.760 14.423 -5.378 1.00 3.01 O ATOM 1049 CB MET A 67 4.472 13.326 -8.562 1.00 23.31 C ATOM 1050 CG MET A 67 3.130 12.791 -8.069 1.00 50.14 C ATOM 1051 SD MET A 67 1.761 13.940 -8.340 1.00 72.01 S ATOM 1052 CE MET A 67 1.663 14.001 -10.127 1.00 32.31 C ATOM 0 H MET A 67 6.387 14.588 -9.368 1.00 23.12 H new ATOM 0 HA MET A 67 4.189 15.297 -7.691 1.00 61.32 H new ATOM 0 HB2 MET A 67 4.381 13.574 -9.620 1.00 23.31 H new ATOM 0 HB3 MET A 67 5.214 12.532 -8.483 1.00 23.31 H new ATOM 0 HG2 MET A 67 2.913 11.851 -8.576 1.00 50.14 H new ATOM 0 HG3 MET A 67 3.204 12.569 -7.004 1.00 50.14 H new ATOM 0 HE1 MET A 67 0.658 14.297 -10.426 1.00 32.31 H new ATOM 0 HE2 MET A 67 2.383 14.726 -10.506 1.00 32.31 H new ATOM 0 HE3 MET A 67 1.889 13.017 -10.538 1.00 32.31 H new ATOM 1062 N ILE A 68 6.716 13.673 -6.308 1.00 70.25 N ATOM 1063 CA ILE A 68 7.427 13.330 -5.060 1.00 42.24 C ATOM 1064 C ILE A 68 7.719 14.615 -4.255 1.00 11.14 C ATOM 1065 O ILE A 68 7.552 14.646 -3.032 1.00 13.03 O ATOM 1066 CB ILE A 68 8.774 12.555 -5.395 1.00 24.21 C ATOM 1067 CG1 ILE A 68 8.469 11.135 -5.974 1.00 52.13 C ATOM 1068 CG2 ILE A 68 9.726 12.458 -4.176 1.00 41.40 C ATOM 1069 CD1 ILE A 68 9.684 10.402 -6.515 1.00 74.31 C ATOM 0 H ILE A 68 7.264 13.468 -7.144 1.00 70.25 H new ATOM 0 HA ILE A 68 6.799 12.677 -4.455 1.00 42.24 H new ATOM 0 HB ILE A 68 9.292 13.140 -6.154 1.00 24.21 H new ATOM 0 HG12 ILE A 68 8.012 10.528 -5.192 1.00 52.13 H new ATOM 0 HG13 ILE A 68 7.734 11.232 -6.773 1.00 52.13 H new ATOM 0 HG21 ILE A 68 10.629 11.919 -4.462 1.00 41.40 H new ATOM 0 HG22 ILE A 68 9.992 13.461 -3.841 1.00 41.40 H new ATOM 0 HG23 ILE A 68 9.227 11.926 -3.366 1.00 41.40 H new ATOM 0 HD11 ILE A 68 9.381 9.427 -6.896 1.00 74.31 H new ATOM 0 HD12 ILE A 68 10.131 10.984 -7.321 1.00 74.31 H new ATOM 0 HD13 ILE A 68 10.414 10.269 -5.716 1.00 74.31 H new ATOM 1081 N SER A 69 8.118 15.672 -4.982 1.00 54.13 N ATOM 1082 CA SER A 69 8.455 16.979 -4.400 1.00 55.10 C ATOM 1083 C SER A 69 7.218 17.684 -3.813 1.00 31.22 C ATOM 1084 O SER A 69 7.340 18.456 -2.859 1.00 41.32 O ATOM 1085 CB SER A 69 9.127 17.869 -5.468 1.00 25.23 C ATOM 1086 OG SER A 69 10.300 17.254 -5.983 1.00 13.14 O ATOM 0 H SER A 69 8.216 15.642 -5.997 1.00 54.13 H new ATOM 0 HA SER A 69 9.150 16.810 -3.578 1.00 55.10 H new ATOM 0 HB2 SER A 69 8.426 18.059 -6.281 1.00 25.23 H new ATOM 0 HB3 SER A 69 9.381 18.836 -5.033 1.00 25.23 H new ATOM 0 HG SER A 69 10.049 16.511 -6.571 1.00 13.14 H new ATOM 1092 N GLN A 70 6.031 17.405 -4.383 1.00 2.43 N ATOM 1093 CA GLN A 70 4.779 18.037 -3.964 1.00 53.22 C ATOM 1094 C GLN A 70 4.338 17.431 -2.629 1.00 72.32 C ATOM 1095 O GLN A 70 4.093 18.151 -1.653 1.00 34.11 O ATOM 1096 CB GLN A 70 3.712 17.841 -5.087 1.00 3.21 C ATOM 1097 CG GLN A 70 2.340 18.541 -4.869 1.00 61.22 C ATOM 1098 CD GLN A 70 1.382 17.815 -3.913 1.00 62.24 C ATOM 1099 OE1 GLN A 70 0.589 18.440 -3.210 1.00 15.13 O ATOM 1100 NE2 GLN A 70 1.426 16.484 -3.898 1.00 1.54 N ATOM 0 H GLN A 70 5.919 16.736 -5.145 1.00 2.43 H new ATOM 0 HA GLN A 70 4.909 19.109 -3.814 1.00 53.22 H new ATOM 0 HB2 GLN A 70 4.134 18.201 -6.025 1.00 3.21 H new ATOM 0 HB3 GLN A 70 3.535 16.772 -5.207 1.00 3.21 H new ATOM 0 HG2 GLN A 70 2.519 19.545 -4.485 1.00 61.22 H new ATOM 0 HG3 GLN A 70 1.849 18.652 -5.836 1.00 61.22 H new ATOM 0 HE21 GLN A 70 2.093 15.989 -4.490 1.00 1.54 H new ATOM 0 HE22 GLN A 70 0.793 15.960 -3.294 1.00 1.54 H new ATOM 1109 N ILE A 71 4.279 16.086 -2.600 1.00 44.24 N ATOM 1110 CA ILE A 71 3.789 15.324 -1.439 1.00 14.01 C ATOM 1111 C ILE A 71 4.755 15.427 -0.231 1.00 53.42 C ATOM 1112 O ILE A 71 4.327 15.359 0.930 1.00 43.30 O ATOM 1113 CB ILE A 71 3.530 13.821 -1.821 1.00 32.30 C ATOM 1114 CG1 ILE A 71 2.813 13.087 -0.655 1.00 50.22 C ATOM 1115 CG2 ILE A 71 4.828 13.091 -2.246 1.00 21.24 C ATOM 1116 CD1 ILE A 71 2.623 11.611 -0.861 1.00 20.42 C ATOM 0 H ILE A 71 4.570 15.499 -3.381 1.00 44.24 H new ATOM 0 HA ILE A 71 2.841 15.770 -1.137 1.00 14.01 H new ATOM 0 HB ILE A 71 2.875 13.806 -2.692 1.00 32.30 H new ATOM 0 HG12 ILE A 71 3.386 13.241 0.259 1.00 50.22 H new ATOM 0 HG13 ILE A 71 1.837 13.547 -0.501 1.00 50.22 H new ATOM 0 HG21 ILE A 71 4.597 12.056 -2.500 1.00 21.24 H new ATOM 0 HG22 ILE A 71 5.259 13.590 -3.114 1.00 21.24 H new ATOM 0 HG23 ILE A 71 5.543 13.112 -1.424 1.00 21.24 H new ATOM 0 HD11 ILE A 71 2.115 11.185 0.004 1.00 20.42 H new ATOM 0 HD12 ILE A 71 2.022 11.443 -1.754 1.00 20.42 H new ATOM 0 HD13 ILE A 71 3.595 11.132 -0.982 1.00 20.42 H new ATOM 1128 N ASP A 72 6.054 15.610 -0.541 1.00 54.14 N ATOM 1129 CA ASP A 72 7.126 15.835 0.450 1.00 23.53 C ATOM 1130 C ASP A 72 6.795 17.010 1.393 1.00 30.31 C ATOM 1131 O ASP A 72 7.084 16.968 2.596 1.00 3.51 O ATOM 1132 CB ASP A 72 8.454 16.109 -0.310 1.00 74.05 C ATOM 1133 CG ASP A 72 9.577 16.703 0.566 1.00 71.21 C ATOM 1134 OD1 ASP A 72 10.196 15.954 1.343 1.00 23.34 O ATOM 1135 OD2 ASP A 72 9.839 17.928 0.487 1.00 52.05 O ATOM 0 H ASP A 72 6.394 15.606 -1.503 1.00 54.14 H new ATOM 0 HA ASP A 72 7.223 14.945 1.071 1.00 23.53 H new ATOM 0 HB2 ASP A 72 8.807 15.176 -0.749 1.00 74.05 H new ATOM 0 HB3 ASP A 72 8.252 16.793 -1.135 1.00 74.05 H new ATOM 1140 N LYS A 73 6.172 18.051 0.820 1.00 21.34 N ATOM 1141 CA LYS A 73 5.853 19.300 1.528 1.00 35.44 C ATOM 1142 C LYS A 73 4.656 19.146 2.493 1.00 63.32 C ATOM 1143 O LYS A 73 4.340 20.075 3.248 1.00 64.25 O ATOM 1144 CB LYS A 73 5.593 20.420 0.492 1.00 24.13 C ATOM 1145 CG LYS A 73 6.770 20.652 -0.488 1.00 13.02 C ATOM 1146 CD LYS A 73 6.545 21.857 -1.431 1.00 1.42 C ATOM 1147 CE LYS A 73 6.468 23.193 -0.673 1.00 43.01 C ATOM 1148 NZ LYS A 73 6.360 24.358 -1.593 1.00 33.32 N ATOM 0 H LYS A 73 5.873 18.050 -0.155 1.00 21.34 H new ATOM 0 HA LYS A 73 6.709 19.566 2.149 1.00 35.44 H new ATOM 0 HB2 LYS A 73 4.699 20.172 -0.081 1.00 24.13 H new ATOM 0 HB3 LYS A 73 5.384 21.350 1.021 1.00 24.13 H new ATOM 0 HG2 LYS A 73 7.685 20.811 0.083 1.00 13.02 H new ATOM 0 HG3 LYS A 73 6.920 19.753 -1.086 1.00 13.02 H new ATOM 0 HD2 LYS A 73 7.356 21.902 -2.158 1.00 1.42 H new ATOM 0 HD3 LYS A 73 5.622 21.708 -1.992 1.00 1.42 H new ATOM 0 HE2 LYS A 73 5.607 23.180 -0.004 1.00 43.01 H new ATOM 0 HE3 LYS A 73 7.355 23.306 -0.049 1.00 43.01 H new ATOM 0 HZ1 LYS A 73 6.311 25.236 -1.037 1.00 33.32 H new ATOM 0 HZ2 LYS A 73 7.193 24.388 -2.215 1.00 33.32 H new ATOM 0 HZ3 LYS A 73 5.500 24.266 -2.171 1.00 33.32 H new ATOM 1162 N LEU A 74 3.994 17.981 2.466 1.00 75.43 N ATOM 1163 CA LEU A 74 2.891 17.655 3.384 1.00 21.34 C ATOM 1164 C LEU A 74 3.445 16.969 4.646 1.00 23.02 C ATOM 1165 O LEU A 74 4.479 16.296 4.604 1.00 3.51 O ATOM 1166 CB LEU A 74 1.825 16.760 2.682 1.00 55.10 C ATOM 1167 CG LEU A 74 0.861 17.464 1.666 1.00 61.40 C ATOM 1168 CD1 LEU A 74 0.086 18.616 2.340 1.00 62.33 C ATOM 1169 CD2 LEU A 74 1.597 17.932 0.393 1.00 1.31 C ATOM 0 H LEU A 74 4.208 17.235 1.805 1.00 75.43 H new ATOM 0 HA LEU A 74 2.397 18.581 3.679 1.00 21.34 H new ATOM 0 HB2 LEU A 74 2.347 15.961 2.155 1.00 55.10 H new ATOM 0 HB3 LEU A 74 1.217 16.288 3.454 1.00 55.10 H new ATOM 0 HG LEU A 74 0.131 16.721 1.344 1.00 61.40 H new ATOM 0 HD11 LEU A 74 -0.575 19.086 1.611 1.00 62.33 H new ATOM 0 HD12 LEU A 74 -0.506 18.222 3.166 1.00 62.33 H new ATOM 0 HD13 LEU A 74 0.791 19.355 2.720 1.00 62.33 H new ATOM 0 HD21 LEU A 74 0.888 18.414 -0.281 1.00 1.31 H new ATOM 0 HD22 LEU A 74 2.379 18.641 0.665 1.00 1.31 H new ATOM 0 HD23 LEU A 74 2.045 17.072 -0.105 1.00 1.31 H new ATOM 1181 N GLU A 75 2.712 17.145 5.753 1.00 24.43 N ATOM 1182 CA GLU A 75 3.133 16.718 7.099 1.00 43.40 C ATOM 1183 C GLU A 75 2.936 15.204 7.316 1.00 4.32 C ATOM 1184 O GLU A 75 3.424 14.659 8.317 1.00 21.23 O ATOM 1185 CB GLU A 75 2.340 17.537 8.159 1.00 12.15 C ATOM 1186 CG GLU A 75 2.460 19.076 8.002 1.00 44.23 C ATOM 1187 CD GLU A 75 1.496 19.840 8.925 1.00 3.11 C ATOM 1188 OE1 GLU A 75 0.302 19.958 8.574 1.00 51.15 O ATOM 1189 OE2 GLU A 75 1.911 20.292 10.013 1.00 34.53 O ATOM 0 H GLU A 75 1.796 17.594 5.741 1.00 24.43 H new ATOM 0 HA GLU A 75 4.201 16.910 7.205 1.00 43.40 H new ATOM 0 HB2 GLU A 75 1.288 17.259 8.102 1.00 12.15 H new ATOM 0 HB3 GLU A 75 2.690 17.257 9.153 1.00 12.15 H new ATOM 0 HG2 GLU A 75 3.484 19.381 8.219 1.00 44.23 H new ATOM 0 HG3 GLU A 75 2.259 19.349 6.966 1.00 44.23 H new ATOM 1196 N ASP A 76 2.213 14.530 6.392 1.00 61.24 N ATOM 1197 CA ASP A 76 2.013 13.072 6.470 1.00 21.12 C ATOM 1198 C ASP A 76 3.328 12.364 6.123 1.00 34.30 C ATOM 1199 O ASP A 76 3.761 11.454 6.834 1.00 22.22 O ATOM 1200 CB ASP A 76 0.850 12.598 5.549 1.00 52.14 C ATOM 1201 CG ASP A 76 1.158 12.622 4.046 1.00 65.02 C ATOM 1202 OD1 ASP A 76 1.411 13.718 3.519 1.00 71.32 O ATOM 1203 OD2 ASP A 76 1.141 11.553 3.385 1.00 72.54 O ATOM 0 H ASP A 76 1.763 14.973 5.591 1.00 61.24 H new ATOM 0 HA ASP A 76 1.725 12.811 7.488 1.00 21.12 H new ATOM 0 HB2 ASP A 76 0.575 11.582 5.831 1.00 52.14 H new ATOM 0 HB3 ASP A 76 -0.020 13.227 5.736 1.00 52.14 H new ATOM 1208 N VAL A 77 3.968 12.835 5.039 1.00 12.25 N ATOM 1209 CA VAL A 77 5.291 12.385 4.625 1.00 11.15 C ATOM 1210 C VAL A 77 6.338 13.113 5.473 1.00 21.04 C ATOM 1211 O VAL A 77 6.654 14.275 5.226 1.00 11.14 O ATOM 1212 CB VAL A 77 5.507 12.632 3.086 1.00 22.14 C ATOM 1213 CG1 VAL A 77 6.970 12.388 2.657 1.00 51.42 C ATOM 1214 CG2 VAL A 77 4.553 11.744 2.266 1.00 14.43 C ATOM 0 H VAL A 77 3.570 13.546 4.425 1.00 12.25 H new ATOM 0 HA VAL A 77 5.390 11.311 4.785 1.00 11.15 H new ATOM 0 HB VAL A 77 5.283 13.680 2.889 1.00 22.14 H new ATOM 0 HG11 VAL A 77 7.071 12.571 1.587 1.00 51.42 H new ATOM 0 HG12 VAL A 77 7.627 13.064 3.204 1.00 51.42 H new ATOM 0 HG13 VAL A 77 7.246 11.357 2.877 1.00 51.42 H new ATOM 0 HG21 VAL A 77 4.712 11.924 1.203 1.00 14.43 H new ATOM 0 HG22 VAL A 77 4.749 10.695 2.490 1.00 14.43 H new ATOM 0 HG23 VAL A 77 3.521 11.983 2.524 1.00 14.43 H new ATOM 1224 N VAL A 78 6.816 12.418 6.512 1.00 50.01 N ATOM 1225 CA VAL A 78 7.821 12.939 7.457 1.00 61.30 C ATOM 1226 C VAL A 78 9.166 13.141 6.721 1.00 50.21 C ATOM 1227 O VAL A 78 9.841 14.158 6.898 1.00 73.33 O ATOM 1228 CB VAL A 78 8.004 11.958 8.686 1.00 3.23 C ATOM 1229 CG1 VAL A 78 8.802 12.609 9.837 1.00 41.41 C ATOM 1230 CG2 VAL A 78 6.640 11.439 9.196 1.00 71.45 C ATOM 0 H VAL A 78 6.515 11.467 6.726 1.00 50.01 H new ATOM 0 HA VAL A 78 7.475 13.897 7.844 1.00 61.30 H new ATOM 0 HB VAL A 78 8.584 11.108 8.326 1.00 3.23 H new ATOM 0 HG11 VAL A 78 8.902 11.899 10.658 1.00 41.41 H new ATOM 0 HG12 VAL A 78 9.792 12.892 9.479 1.00 41.41 H new ATOM 0 HG13 VAL A 78 8.276 13.497 10.188 1.00 41.41 H new ATOM 0 HG21 VAL A 78 6.799 10.768 10.040 1.00 71.45 H new ATOM 0 HG22 VAL A 78 6.026 12.282 9.513 1.00 71.45 H new ATOM 0 HG23 VAL A 78 6.133 10.901 8.395 1.00 71.45 H new ATOM 1240 N LYS A 79 9.520 12.146 5.889 1.00 54.11 N ATOM 1241 CA LYS A 79 10.691 12.172 4.983 1.00 41.54 C ATOM 1242 C LYS A 79 10.326 11.416 3.699 1.00 51.24 C ATOM 1243 O LYS A 79 9.475 10.528 3.729 1.00 62.13 O ATOM 1244 CB LYS A 79 11.950 11.512 5.626 1.00 72.33 C ATOM 1245 CG LYS A 79 12.484 12.211 6.889 1.00 53.12 C ATOM 1246 CD LYS A 79 13.664 11.453 7.535 1.00 13.13 C ATOM 1247 CE LYS A 79 14.230 12.177 8.768 1.00 74.31 C ATOM 1248 NZ LYS A 79 14.724 13.543 8.438 1.00 64.23 N ATOM 0 H LYS A 79 8.989 11.278 5.823 1.00 54.11 H new ATOM 0 HA LYS A 79 10.938 13.213 4.774 1.00 41.54 H new ATOM 0 HB2 LYS A 79 11.711 10.478 5.876 1.00 72.33 H new ATOM 0 HB3 LYS A 79 12.746 11.484 4.882 1.00 72.33 H new ATOM 0 HG2 LYS A 79 12.803 13.221 6.633 1.00 53.12 H new ATOM 0 HG3 LYS A 79 11.677 12.306 7.616 1.00 53.12 H new ATOM 0 HD2 LYS A 79 13.335 10.455 7.824 1.00 13.13 H new ATOM 0 HD3 LYS A 79 14.457 11.326 6.797 1.00 13.13 H new ATOM 0 HE2 LYS A 79 13.457 12.247 9.533 1.00 74.31 H new ATOM 0 HE3 LYS A 79 15.045 11.589 9.190 1.00 74.31 H new ATOM 0 HZ1 LYS A 79 15.247 13.929 9.250 1.00 64.23 H new ATOM 0 HZ2 LYS A 79 15.354 13.494 7.612 1.00 64.23 H new ATOM 0 HZ3 LYS A 79 13.916 14.161 8.221 1.00 64.23 H new ATOM 1262 N VAL A 80 10.952 11.772 2.570 1.00 32.22 N ATOM 1263 CA VAL A 80 10.765 11.040 1.294 1.00 5.30 C ATOM 1264 C VAL A 80 12.137 10.774 0.646 1.00 3.43 C ATOM 1265 O VAL A 80 13.023 11.645 0.679 1.00 2.22 O ATOM 1266 CB VAL A 80 9.821 11.823 0.282 1.00 62.43 C ATOM 1267 CG1 VAL A 80 10.480 13.083 -0.308 1.00 11.12 C ATOM 1268 CG2 VAL A 80 9.309 10.896 -0.841 1.00 53.25 C ATOM 0 H VAL A 80 11.594 12.562 2.506 1.00 32.22 H new ATOM 0 HA VAL A 80 10.273 10.094 1.523 1.00 5.30 H new ATOM 0 HB VAL A 80 8.967 12.163 0.869 1.00 62.43 H new ATOM 0 HG11 VAL A 80 9.785 13.572 -0.990 1.00 11.12 H new ATOM 0 HG12 VAL A 80 10.740 13.769 0.498 1.00 11.12 H new ATOM 0 HG13 VAL A 80 11.383 12.802 -0.850 1.00 11.12 H new ATOM 0 HG21 VAL A 80 8.667 11.462 -1.516 1.00 53.25 H new ATOM 0 HG22 VAL A 80 10.157 10.496 -1.397 1.00 53.25 H new ATOM 0 HG23 VAL A 80 8.742 10.074 -0.404 1.00 53.25 H new ATOM 1278 N GLN A 81 12.334 9.559 0.098 1.00 44.11 N ATOM 1279 CA GLN A 81 13.520 9.233 -0.722 1.00 21.43 C ATOM 1280 C GLN A 81 13.108 8.404 -1.939 1.00 52.42 C ATOM 1281 O GLN A 81 12.130 7.640 -1.891 1.00 1.13 O ATOM 1282 CB GLN A 81 14.590 8.459 0.099 1.00 52.13 C ATOM 1283 CG GLN A 81 15.263 9.272 1.216 1.00 75.32 C ATOM 1284 CD GLN A 81 16.313 8.487 1.993 1.00 22.34 C ATOM 1285 OE1 GLN A 81 16.007 7.842 2.996 1.00 13.30 O ATOM 1286 NE2 GLN A 81 17.554 8.539 1.536 1.00 53.01 N ATOM 0 H GLN A 81 11.683 8.782 0.209 1.00 44.11 H new ATOM 0 HA GLN A 81 13.961 10.174 -1.051 1.00 21.43 H new ATOM 0 HB2 GLN A 81 14.121 7.580 0.542 1.00 52.13 H new ATOM 0 HB3 GLN A 81 15.360 8.100 -0.583 1.00 52.13 H new ATOM 0 HG2 GLN A 81 15.730 10.155 0.780 1.00 75.32 H new ATOM 0 HG3 GLN A 81 14.499 9.625 1.909 1.00 75.32 H new ATOM 0 HE21 GLN A 81 17.768 9.085 0.701 1.00 53.01 H new ATOM 0 HE22 GLN A 81 18.297 8.033 2.019 1.00 53.01 H new ATOM 1295 N ARG A 82 13.871 8.575 -3.029 1.00 51.42 N ATOM 1296 CA ARG A 82 13.781 7.746 -4.229 1.00 61.03 C ATOM 1297 C ARG A 82 15.180 7.167 -4.530 1.00 41.14 C ATOM 1298 O ARG A 82 16.144 7.908 -4.755 1.00 3.02 O ATOM 1299 CB ARG A 82 13.227 8.563 -5.439 1.00 52.45 C ATOM 1300 CG ARG A 82 14.066 9.784 -5.875 1.00 1.33 C ATOM 1301 CD ARG A 82 13.654 10.349 -7.249 1.00 20.13 C ATOM 1302 NE ARG A 82 14.709 11.226 -7.779 1.00 31.11 N ATOM 1303 CZ ARG A 82 14.996 11.412 -9.068 1.00 52.53 C ATOM 1304 NH1 ARG A 82 14.300 10.800 -10.023 1.00 0.30 N ATOM 1305 NH2 ARG A 82 16.018 12.189 -9.392 1.00 43.54 N ATOM 0 H ARG A 82 14.578 9.307 -3.097 1.00 51.42 H new ATOM 0 HA ARG A 82 13.080 6.928 -4.059 1.00 61.03 H new ATOM 0 HB2 ARG A 82 13.131 7.891 -6.292 1.00 52.45 H new ATOM 0 HB3 ARG A 82 12.223 8.908 -5.190 1.00 52.45 H new ATOM 0 HG2 ARG A 82 13.970 10.568 -5.124 1.00 1.33 H new ATOM 0 HG3 ARG A 82 15.118 9.500 -5.907 1.00 1.33 H new ATOM 0 HD2 ARG A 82 13.468 9.531 -7.945 1.00 20.13 H new ATOM 0 HD3 ARG A 82 12.722 10.906 -7.156 1.00 20.13 H new ATOM 0 HE ARG A 82 15.272 11.738 -7.100 1.00 31.11 H new ATOM 0 HH11 ARG A 82 13.532 10.176 -9.774 1.00 0.30 H new ATOM 0 HH12 ARG A 82 14.534 10.955 -11.004 1.00 0.30 H new ATOM 0 HH21 ARG A 82 16.572 12.634 -8.661 1.00 43.54 H new ATOM 0 HH22 ARG A 82 16.251 12.342 -10.373 1.00 43.54 H new ATOM 1319 N ASN A 83 15.301 5.840 -4.466 1.00 14.40 N ATOM 1320 CA ASN A 83 16.526 5.112 -4.826 1.00 32.43 C ATOM 1321 C ASN A 83 16.195 4.105 -5.921 1.00 51.20 C ATOM 1322 O ASN A 83 15.311 3.272 -5.746 1.00 34.15 O ATOM 1323 CB ASN A 83 17.112 4.389 -3.580 1.00 23.11 C ATOM 1324 CG ASN A 83 17.898 5.339 -2.663 1.00 20.11 C ATOM 1325 OD1 ASN A 83 19.123 5.455 -2.764 1.00 60.25 O ATOM 1326 ND2 ASN A 83 17.203 6.053 -1.790 1.00 33.31 N ATOM 0 H ASN A 83 14.543 5.230 -4.159 1.00 14.40 H new ATOM 0 HA ASN A 83 17.276 5.814 -5.191 1.00 32.43 H new ATOM 0 HB2 ASN A 83 16.300 3.932 -3.014 1.00 23.11 H new ATOM 0 HB3 ASN A 83 17.766 3.581 -3.907 1.00 23.11 H new ATOM 0 HD21 ASN A 83 17.679 6.718 -1.181 1.00 33.31 H new ATOM 0 HD22 ASN A 83 16.191 5.938 -1.727 1.00 33.31 H new ATOM 1333 N GLN A 84 16.927 4.176 -7.039 1.00 22.14 N ATOM 1334 CA GLN A 84 16.742 3.259 -8.175 1.00 1.10 C ATOM 1335 C GLN A 84 17.594 2.016 -7.914 1.00 32.30 C ATOM 1336 O GLN A 84 18.825 2.100 -7.837 1.00 34.04 O ATOM 1337 CB GLN A 84 17.093 3.932 -9.553 1.00 15.33 C ATOM 1338 CG GLN A 84 18.478 4.634 -9.675 1.00 30.35 C ATOM 1339 CD GLN A 84 18.590 5.945 -8.885 1.00 42.02 C ATOM 1340 OE1 GLN A 84 17.599 6.648 -8.673 1.00 74.54 O ATOM 1341 NE2 GLN A 84 19.790 6.297 -8.452 1.00 51.12 N ATOM 0 H GLN A 84 17.663 4.868 -7.184 1.00 22.14 H new ATOM 0 HA GLN A 84 15.690 2.983 -8.252 1.00 1.10 H new ATOM 0 HB2 GLN A 84 17.034 3.166 -10.327 1.00 15.33 H new ATOM 0 HB3 GLN A 84 16.321 4.669 -9.774 1.00 15.33 H new ATOM 0 HG2 GLN A 84 19.252 3.948 -9.331 1.00 30.35 H new ATOM 0 HG3 GLN A 84 18.678 4.838 -10.727 1.00 30.35 H new ATOM 0 HE21 GLN A 84 20.595 5.700 -8.639 1.00 51.12 H new ATOM 0 HE22 GLN A 84 19.910 7.166 -7.931 1.00 51.12 H new ATOM 1350 N SER A 85 16.918 0.881 -7.721 1.00 50.35 N ATOM 1351 CA SER A 85 17.550 -0.350 -7.249 1.00 25.14 C ATOM 1352 C SER A 85 16.712 -1.571 -7.656 1.00 51.11 C ATOM 1353 O SER A 85 15.634 -1.433 -8.254 1.00 33.55 O ATOM 1354 CB SER A 85 17.731 -0.266 -5.709 1.00 2.30 C ATOM 1355 OG SER A 85 18.498 -1.344 -5.201 1.00 62.35 O ATOM 0 H SER A 85 15.916 0.791 -7.888 1.00 50.35 H new ATOM 0 HA SER A 85 18.531 -0.465 -7.709 1.00 25.14 H new ATOM 0 HB2 SER A 85 18.216 0.676 -5.453 1.00 2.30 H new ATOM 0 HB3 SER A 85 16.752 -0.261 -5.229 1.00 2.30 H new ATOM 0 HG SER A 85 18.858 -1.103 -4.322 1.00 62.35 H new ATOM 1361 N ASP A 86 17.247 -2.760 -7.333 1.00 42.44 N ATOM 1362 CA ASP A 86 16.647 -4.054 -7.671 1.00 11.32 C ATOM 1363 C ASP A 86 15.319 -4.259 -6.885 1.00 44.55 C ATOM 1364 O ASP A 86 15.279 -3.964 -5.685 1.00 60.43 O ATOM 1365 CB ASP A 86 17.662 -5.198 -7.359 1.00 32.20 C ATOM 1366 CG ASP A 86 17.248 -6.554 -7.951 1.00 61.21 C ATOM 1367 OD1 ASP A 86 16.377 -7.225 -7.363 1.00 34.55 O ATOM 1368 OD2 ASP A 86 17.780 -6.948 -9.014 1.00 61.24 O ATOM 0 H ASP A 86 18.125 -2.846 -6.820 1.00 42.44 H new ATOM 0 HA ASP A 86 16.412 -4.075 -8.735 1.00 11.32 H new ATOM 0 HB2 ASP A 86 18.641 -4.922 -7.750 1.00 32.20 H new ATOM 0 HB3 ASP A 86 17.766 -5.297 -6.279 1.00 32.20 H new ATOM 1373 N PRO A 87 14.224 -4.757 -7.564 1.00 73.42 N ATOM 1374 CA PRO A 87 12.905 -5.032 -6.933 1.00 50.00 C ATOM 1375 C PRO A 87 12.966 -5.808 -5.598 1.00 54.33 C ATOM 1376 O PRO A 87 12.243 -5.465 -4.660 1.00 21.41 O ATOM 1377 CB PRO A 87 12.161 -5.855 -8.013 1.00 33.55 C ATOM 1378 CG PRO A 87 12.710 -5.339 -9.304 1.00 13.32 C ATOM 1379 CD PRO A 87 14.170 -5.037 -9.026 1.00 21.31 C ATOM 0 HA PRO A 87 12.416 -4.100 -6.650 1.00 50.00 H new ATOM 0 HB2 PRO A 87 12.347 -6.923 -7.899 1.00 33.55 H new ATOM 0 HB3 PRO A 87 11.082 -5.711 -7.952 1.00 33.55 H new ATOM 0 HG2 PRO A 87 12.606 -6.077 -10.099 1.00 13.32 H new ATOM 0 HG3 PRO A 87 12.178 -4.444 -9.628 1.00 13.32 H new ATOM 0 HD2 PRO A 87 14.807 -5.881 -9.292 1.00 21.31 H new ATOM 0 HD3 PRO A 87 14.515 -4.182 -9.607 1.00 21.31 H new ATOM 1387 N THR A 88 13.881 -6.802 -5.499 1.00 22.12 N ATOM 1388 CA THR A 88 13.970 -7.724 -4.333 1.00 23.14 C ATOM 1389 C THR A 88 14.341 -7.014 -3.010 1.00 60.54 C ATOM 1390 O THR A 88 14.419 -7.670 -1.966 1.00 65.43 O ATOM 1391 CB THR A 88 14.973 -8.898 -4.591 1.00 30.54 C ATOM 1392 OG1 THR A 88 16.302 -8.384 -4.753 1.00 61.24 O ATOM 1393 CG2 THR A 88 14.580 -9.720 -5.836 1.00 55.13 C ATOM 0 H THR A 88 14.577 -6.990 -6.220 1.00 22.12 H new ATOM 0 HA THR A 88 12.963 -8.127 -4.220 1.00 23.14 H new ATOM 0 HB THR A 88 14.937 -9.558 -3.725 1.00 30.54 H new ATOM 0 HG1 THR A 88 16.388 -7.972 -5.638 1.00 61.24 H new ATOM 0 HG21 THR A 88 15.300 -10.525 -5.982 1.00 55.13 H new ATOM 0 HG22 THR A 88 13.586 -10.143 -5.694 1.00 55.13 H new ATOM 0 HG23 THR A 88 14.577 -9.073 -6.713 1.00 55.13 H new ATOM 1401 N MET A 89 14.584 -5.686 -3.060 1.00 34.41 N ATOM 1402 CA MET A 89 14.749 -4.854 -1.857 1.00 34.04 C ATOM 1403 C MET A 89 13.541 -4.999 -0.902 1.00 43.23 C ATOM 1404 O MET A 89 13.750 -5.161 0.306 1.00 73.14 O ATOM 1405 CB MET A 89 14.967 -3.360 -2.233 1.00 62.52 C ATOM 1406 CG MET A 89 15.103 -2.417 -1.020 1.00 43.05 C ATOM 1407 SD MET A 89 15.567 -0.735 -1.462 1.00 22.33 S ATOM 1408 CE MET A 89 17.217 -0.955 -2.123 1.00 41.14 C ATOM 0 H MET A 89 14.670 -5.166 -3.933 1.00 34.41 H new ATOM 0 HA MET A 89 15.638 -5.210 -1.336 1.00 34.04 H new ATOM 0 HB2 MET A 89 15.865 -3.278 -2.845 1.00 62.52 H new ATOM 0 HB3 MET A 89 14.131 -3.026 -2.847 1.00 62.52 H new ATOM 0 HG2 MET A 89 14.156 -2.394 -0.481 1.00 43.05 H new ATOM 0 HG3 MET A 89 15.849 -2.823 -0.337 1.00 43.05 H new ATOM 0 HE1 MET A 89 17.684 0.019 -2.267 1.00 41.14 H new ATOM 0 HE2 MET A 89 17.813 -1.544 -1.426 1.00 41.14 H new ATOM 0 HE3 MET A 89 17.160 -1.475 -3.079 1.00 41.14 H new ATOM 1418 N PHE A 90 12.291 -4.993 -1.466 1.00 62.53 N ATOM 1419 CA PHE A 90 11.050 -5.103 -0.656 1.00 15.15 C ATOM 1420 C PHE A 90 11.035 -6.465 0.089 1.00 10.14 C ATOM 1421 O PHE A 90 10.671 -6.545 1.261 1.00 33.33 O ATOM 1422 CB PHE A 90 9.742 -4.894 -1.515 1.00 24.21 C ATOM 1423 CG PHE A 90 9.175 -6.146 -2.217 1.00 32.44 C ATOM 1424 CD1 PHE A 90 9.632 -6.541 -3.475 1.00 21.14 C ATOM 1425 CD2 PHE A 90 8.187 -6.932 -1.605 1.00 53.52 C ATOM 1426 CE1 PHE A 90 9.135 -7.677 -4.091 1.00 22.25 C ATOM 1427 CE2 PHE A 90 7.695 -8.069 -2.221 1.00 42.15 C ATOM 1428 CZ PHE A 90 8.166 -8.436 -3.462 1.00 11.20 C ATOM 0 H PHE A 90 12.126 -4.914 -2.469 1.00 62.53 H new ATOM 0 HA PHE A 90 11.054 -4.296 0.077 1.00 15.15 H new ATOM 0 HB2 PHE A 90 8.968 -4.487 -0.865 1.00 24.21 H new ATOM 0 HB3 PHE A 90 9.949 -4.140 -2.275 1.00 24.21 H new ATOM 0 HD1 PHE A 90 10.385 -5.951 -3.976 1.00 21.14 H new ATOM 0 HD2 PHE A 90 7.804 -6.645 -0.637 1.00 53.52 H new ATOM 0 HE1 PHE A 90 9.504 -7.970 -5.063 1.00 22.25 H new ATOM 0 HE2 PHE A 90 6.943 -8.668 -1.729 1.00 42.15 H new ATOM 0 HZ PHE A 90 7.777 -9.320 -3.945 1.00 11.20 H new ATOM 1438 N ASN A 91 11.488 -7.516 -0.616 1.00 64.11 N ATOM 1439 CA ASN A 91 11.598 -8.877 -0.070 1.00 12.12 C ATOM 1440 C ASN A 91 12.652 -8.913 1.058 1.00 30.21 C ATOM 1441 O ASN A 91 12.426 -9.530 2.102 1.00 75.00 O ATOM 1442 CB ASN A 91 11.973 -9.855 -1.220 1.00 12.33 C ATOM 1443 CG ASN A 91 11.995 -11.344 -0.833 1.00 11.40 C ATOM 1444 OD1 ASN A 91 12.255 -11.729 0.304 1.00 24.52 O ATOM 1445 ND2 ASN A 91 11.733 -12.202 -1.796 1.00 41.14 N ATOM 0 H ASN A 91 11.790 -7.443 -1.588 1.00 64.11 H new ATOM 0 HA ASN A 91 10.644 -9.184 0.357 1.00 12.12 H new ATOM 0 HB2 ASN A 91 11.264 -9.719 -2.037 1.00 12.33 H new ATOM 0 HB3 ASN A 91 12.956 -9.581 -1.602 1.00 12.33 H new ATOM 0 HD21 ASN A 91 11.744 -13.204 -1.604 1.00 41.14 H new ATOM 0 HD22 ASN A 91 11.519 -11.865 -2.735 1.00 41.14 H new ATOM 1452 N LYS A 92 13.773 -8.194 0.830 1.00 31.23 N ATOM 1453 CA LYS A 92 14.962 -8.209 1.708 1.00 11.04 C ATOM 1454 C LYS A 92 14.601 -7.775 3.144 1.00 55.35 C ATOM 1455 O LYS A 92 14.870 -8.515 4.098 1.00 30.12 O ATOM 1456 CB LYS A 92 16.100 -7.319 1.092 1.00 4.15 C ATOM 1457 CG LYS A 92 17.539 -7.576 1.635 1.00 4.00 C ATOM 1458 CD LYS A 92 17.833 -6.959 3.025 1.00 71.42 C ATOM 1459 CE LYS A 92 19.208 -7.371 3.580 1.00 72.22 C ATOM 1460 NZ LYS A 92 20.330 -6.993 2.677 1.00 62.21 N ATOM 0 H LYS A 92 13.878 -7.580 0.022 1.00 31.23 H new ATOM 0 HA LYS A 92 15.336 -9.231 1.774 1.00 11.04 H new ATOM 0 HB2 LYS A 92 16.108 -7.470 0.013 1.00 4.15 H new ATOM 0 HB3 LYS A 92 15.849 -6.272 1.265 1.00 4.15 H new ATOM 0 HG2 LYS A 92 17.704 -8.652 1.689 1.00 4.00 H new ATOM 0 HG3 LYS A 92 18.258 -7.179 0.918 1.00 4.00 H new ATOM 0 HD2 LYS A 92 17.786 -5.872 2.953 1.00 71.42 H new ATOM 0 HD3 LYS A 92 17.056 -7.266 3.726 1.00 71.42 H new ATOM 0 HE2 LYS A 92 19.357 -6.903 4.553 1.00 72.22 H new ATOM 0 HE3 LYS A 92 19.223 -8.449 3.739 1.00 72.22 H new ATOM 0 HZ1 LYS A 92 21.235 -7.248 3.122 1.00 62.21 H new ATOM 0 HZ2 LYS A 92 20.234 -7.499 1.773 1.00 62.21 H new ATOM 0 HZ3 LYS A 92 20.306 -5.968 2.504 1.00 62.21 H new ATOM 1474 N ILE A 93 13.985 -6.583 3.303 1.00 13.24 N ATOM 1475 CA ILE A 93 13.619 -6.086 4.654 1.00 61.05 C ATOM 1476 C ILE A 93 12.377 -6.803 5.203 1.00 52.35 C ATOM 1477 O ILE A 93 12.214 -6.873 6.418 1.00 44.32 O ATOM 1478 CB ILE A 93 13.419 -4.526 4.782 1.00 2.11 C ATOM 1479 CG1 ILE A 93 12.117 -4.018 4.093 1.00 24.31 C ATOM 1480 CG2 ILE A 93 14.651 -3.762 4.258 1.00 63.35 C ATOM 1481 CD1 ILE A 93 12.159 -3.980 2.587 1.00 61.20 C ATOM 0 H ILE A 93 13.735 -5.959 2.536 1.00 13.24 H new ATOM 0 HA ILE A 93 14.497 -6.324 5.254 1.00 61.05 H new ATOM 0 HB ILE A 93 13.308 -4.320 5.847 1.00 2.11 H new ATOM 0 HG12 ILE A 93 11.289 -4.657 4.401 1.00 24.31 H new ATOM 0 HG13 ILE A 93 11.899 -3.015 4.460 1.00 24.31 H new ATOM 0 HG21 ILE A 93 14.484 -2.690 4.359 1.00 63.35 H new ATOM 0 HG22 ILE A 93 15.530 -4.048 4.836 1.00 63.35 H new ATOM 0 HG23 ILE A 93 14.812 -4.007 3.208 1.00 63.35 H new ATOM 0 HD11 ILE A 93 11.206 -3.613 2.206 1.00 61.20 H new ATOM 0 HD12 ILE A 93 12.960 -3.316 2.262 1.00 61.20 H new ATOM 0 HD13 ILE A 93 12.341 -4.984 2.203 1.00 61.20 H new ATOM 1493 N ALA A 94 11.483 -7.288 4.300 1.00 41.35 N ATOM 1494 CA ALA A 94 10.289 -8.062 4.707 1.00 21.34 C ATOM 1495 C ALA A 94 10.689 -9.307 5.523 1.00 41.41 C ATOM 1496 O ALA A 94 10.207 -9.501 6.646 1.00 22.04 O ATOM 1497 CB ALA A 94 9.451 -8.455 3.480 1.00 44.42 C ATOM 0 H ALA A 94 11.570 -7.155 3.292 1.00 41.35 H new ATOM 0 HA ALA A 94 9.676 -7.427 5.347 1.00 21.34 H new ATOM 0 HB1 ALA A 94 8.578 -9.023 3.802 1.00 44.42 H new ATOM 0 HB2 ALA A 94 9.126 -7.555 2.958 1.00 44.42 H new ATOM 0 HB3 ALA A 94 10.054 -9.066 2.808 1.00 44.42 H new ATOM 1503 N VAL A 95 11.622 -10.108 4.966 1.00 75.30 N ATOM 1504 CA VAL A 95 12.123 -11.329 5.621 1.00 41.21 C ATOM 1505 C VAL A 95 13.039 -10.982 6.814 1.00 10.33 C ATOM 1506 O VAL A 95 13.053 -11.691 7.819 1.00 10.41 O ATOM 1507 CB VAL A 95 12.847 -12.296 4.598 1.00 72.04 C ATOM 1508 CG1 VAL A 95 14.128 -11.669 4.009 1.00 51.33 C ATOM 1509 CG2 VAL A 95 13.131 -13.682 5.229 1.00 61.34 C ATOM 0 H VAL A 95 12.045 -9.926 4.056 1.00 75.30 H new ATOM 0 HA VAL A 95 11.258 -11.868 6.008 1.00 41.21 H new ATOM 0 HB VAL A 95 12.159 -12.448 3.766 1.00 72.04 H new ATOM 0 HG11 VAL A 95 14.589 -12.370 3.313 1.00 51.33 H new ATOM 0 HG12 VAL A 95 13.874 -10.749 3.483 1.00 51.33 H new ATOM 0 HG13 VAL A 95 14.827 -11.445 4.815 1.00 51.33 H new ATOM 0 HG21 VAL A 95 13.629 -14.319 4.498 1.00 61.34 H new ATOM 0 HG22 VAL A 95 13.773 -13.560 6.101 1.00 61.34 H new ATOM 0 HG23 VAL A 95 12.191 -14.143 5.532 1.00 61.34 H new ATOM 1519 N PHE A 96 13.771 -9.852 6.701 1.00 10.42 N ATOM 1520 CA PHE A 96 14.685 -9.364 7.758 1.00 13.11 C ATOM 1521 C PHE A 96 13.905 -8.894 9.006 1.00 34.42 C ATOM 1522 O PHE A 96 14.404 -8.997 10.135 1.00 43.34 O ATOM 1523 CB PHE A 96 15.568 -8.218 7.196 1.00 32.14 C ATOM 1524 CG PHE A 96 16.601 -7.667 8.181 1.00 55.54 C ATOM 1525 CD1 PHE A 96 17.751 -8.397 8.488 1.00 13.34 C ATOM 1526 CD2 PHE A 96 16.415 -6.434 8.819 1.00 53.32 C ATOM 1527 CE1 PHE A 96 18.678 -7.914 9.393 1.00 24.02 C ATOM 1528 CE2 PHE A 96 17.344 -5.956 9.728 1.00 43.15 C ATOM 1529 CZ PHE A 96 18.474 -6.697 10.013 1.00 64.40 C ATOM 0 H PHE A 96 13.745 -9.253 5.876 1.00 10.42 H new ATOM 0 HA PHE A 96 15.326 -10.189 8.069 1.00 13.11 H new ATOM 0 HB2 PHE A 96 16.088 -8.580 6.309 1.00 32.14 H new ATOM 0 HB3 PHE A 96 14.920 -7.402 6.875 1.00 32.14 H new ATOM 0 HD1 PHE A 96 17.919 -9.352 8.012 1.00 13.34 H new ATOM 0 HD2 PHE A 96 15.535 -5.848 8.599 1.00 53.32 H new ATOM 0 HE1 PHE A 96 19.564 -8.490 9.616 1.00 24.02 H new ATOM 0 HE2 PHE A 96 17.185 -5.005 10.214 1.00 43.15 H new ATOM 0 HZ PHE A 96 19.199 -6.324 10.722 1.00 64.40 H new ATOM 1539 N PHE A 97 12.688 -8.377 8.771 1.00 41.30 N ATOM 1540 CA PHE A 97 11.775 -7.914 9.830 1.00 63.13 C ATOM 1541 C PHE A 97 11.299 -9.109 10.664 1.00 51.02 C ATOM 1542 O PHE A 97 11.262 -9.026 11.896 1.00 32.35 O ATOM 1543 CB PHE A 97 10.564 -7.180 9.192 1.00 64.42 C ATOM 1544 CG PHE A 97 9.511 -6.679 10.180 1.00 21.44 C ATOM 1545 CD1 PHE A 97 9.760 -5.563 10.982 1.00 74.24 C ATOM 1546 CD2 PHE A 97 8.269 -7.312 10.299 1.00 5.31 C ATOM 1547 CE1 PHE A 97 8.802 -5.095 11.862 1.00 41.35 C ATOM 1548 CE2 PHE A 97 7.313 -6.844 11.181 1.00 50.12 C ATOM 1549 CZ PHE A 97 7.581 -5.737 11.965 1.00 0.35 C ATOM 0 H PHE A 97 12.306 -8.267 7.832 1.00 41.30 H new ATOM 0 HA PHE A 97 12.301 -7.219 10.485 1.00 63.13 H new ATOM 0 HB2 PHE A 97 10.935 -6.330 8.620 1.00 64.42 H new ATOM 0 HB3 PHE A 97 10.083 -7.855 8.484 1.00 64.42 H new ATOM 0 HD1 PHE A 97 10.713 -5.059 10.914 1.00 74.24 H new ATOM 0 HD2 PHE A 97 8.054 -8.179 9.693 1.00 5.31 H new ATOM 0 HE1 PHE A 97 9.007 -4.226 12.470 1.00 41.35 H new ATOM 0 HE2 PHE A 97 6.358 -7.342 11.258 1.00 50.12 H new ATOM 0 HZ PHE A 97 6.837 -5.373 12.658 1.00 0.35 H new ATOM 1559 N GLN A 98 10.950 -10.208 9.948 1.00 1.11 N ATOM 1560 CA GLN A 98 10.476 -11.474 10.533 1.00 61.44 C ATOM 1561 C GLN A 98 9.053 -11.294 11.130 1.00 71.23 C ATOM 1562 O GLN A 98 8.922 -10.866 12.292 1.00 13.11 O ATOM 1563 CB GLN A 98 11.505 -12.051 11.545 1.00 23.34 C ATOM 1564 CG GLN A 98 11.183 -13.453 12.068 1.00 13.55 C ATOM 1565 CD GLN A 98 12.264 -13.998 13.002 1.00 23.02 C ATOM 1566 OE1 GLN A 98 12.209 -13.808 14.218 1.00 64.14 O ATOM 1567 NE2 GLN A 98 13.271 -14.649 12.435 1.00 32.12 N ATOM 1568 OXT GLN A 98 8.064 -11.560 10.409 1.00 37.65 O ATOM 0 H GLN A 98 10.993 -10.232 8.929 1.00 1.11 H new ATOM 0 HA GLN A 98 10.392 -12.221 9.744 1.00 61.44 H new ATOM 0 HB2 GLN A 98 12.486 -12.073 11.070 1.00 23.34 H new ATOM 0 HB3 GLN A 98 11.578 -11.371 12.394 1.00 23.34 H new ATOM 0 HG2 GLN A 98 10.230 -13.429 12.597 1.00 13.55 H new ATOM 0 HG3 GLN A 98 11.062 -14.132 11.224 1.00 13.55 H new ATOM 0 HE21 GLN A 98 13.284 -14.788 11.425 1.00 32.12 H new ATOM 0 HE22 GLN A 98 14.032 -15.011 13.009 1.00 32.12 H new TER 1577 GLN A 98 ATOM 1578 N GLY B 1 -14.344 -2.359 16.880 1.00 51.44 N ATOM 1579 CA GLY B 1 -13.228 -3.323 16.993 1.00 34.03 C ATOM 1580 C GLY B 1 -12.234 -2.930 18.066 1.00 41.42 C ATOM 1581 O GLY B 1 -12.581 -2.202 19.007 1.00 30.51 O ATOM 0 H1 GLY B 1 -15.205 -2.858 16.577 1.00 51.44 H new ATOM 0 H2 GLY B 1 -14.511 -1.911 17.804 1.00 51.44 H new ATOM 0 H3 GLY B 1 -14.102 -1.629 16.180 1.00 51.44 H new ATOM 0 HA2 GLY B 1 -13.627 -4.313 17.216 1.00 34.03 H new ATOM 0 HA3 GLY B 1 -12.715 -3.395 16.034 1.00 34.03 H new ATOM 1587 N SER B 2 -10.996 -3.434 17.942 1.00 10.43 N ATOM 1588 CA SER B 2 -9.898 -3.100 18.857 1.00 45.50 C ATOM 1589 C SER B 2 -9.082 -1.906 18.328 1.00 24.32 C ATOM 1590 O SER B 2 -9.386 -1.338 17.271 1.00 14.24 O ATOM 1591 CB SER B 2 -9.003 -4.338 19.057 1.00 20.45 C ATOM 1592 OG SER B 2 -9.749 -5.438 19.564 1.00 25.10 O ATOM 0 H SER B 2 -10.730 -4.085 17.203 1.00 10.43 H new ATOM 0 HA SER B 2 -10.315 -2.806 19.820 1.00 45.50 H new ATOM 0 HB2 SER B 2 -8.543 -4.614 18.108 1.00 20.45 H new ATOM 0 HB3 SER B 2 -8.193 -4.097 19.746 1.00 20.45 H new ATOM 0 HG SER B 2 -9.177 -6.233 19.599 1.00 25.10 H new ATOM 1598 N MET B 3 -8.061 -1.514 19.100 1.00 62.31 N ATOM 1599 CA MET B 3 -7.121 -0.441 18.744 1.00 73.01 C ATOM 1600 C MET B 3 -5.687 -0.917 19.034 1.00 24.34 C ATOM 1601 O MET B 3 -4.855 -0.162 19.545 1.00 42.32 O ATOM 1602 CB MET B 3 -7.453 0.863 19.533 1.00 34.53 C ATOM 1603 CG MET B 3 -8.762 1.559 19.126 1.00 30.32 C ATOM 1604 SD MET B 3 -9.053 3.085 20.052 1.00 21.30 S ATOM 1605 CE MET B 3 -7.622 4.078 19.606 1.00 34.42 C ATOM 0 H MET B 3 -7.861 -1.940 20.005 1.00 62.31 H new ATOM 0 HA MET B 3 -7.212 -0.211 17.682 1.00 73.01 H new ATOM 0 HB2 MET B 3 -7.503 0.623 20.595 1.00 34.53 H new ATOM 0 HB3 MET B 3 -6.631 1.566 19.403 1.00 34.53 H new ATOM 0 HG2 MET B 3 -8.733 1.785 18.060 1.00 30.32 H new ATOM 0 HG3 MET B 3 -9.597 0.877 19.285 1.00 30.32 H new ATOM 0 HE1 MET B 3 -7.834 5.129 19.800 1.00 34.42 H new ATOM 0 HE2 MET B 3 -6.763 3.766 20.200 1.00 34.42 H new ATOM 0 HE3 MET B 3 -7.400 3.942 18.548 1.00 34.42 H new ATOM 1615 N GLN B 4 -5.404 -2.176 18.659 1.00 62.02 N ATOM 1616 CA GLN B 4 -4.131 -2.845 18.993 1.00 23.20 C ATOM 1617 C GLN B 4 -3.850 -4.012 18.026 1.00 24.40 C ATOM 1618 O GLN B 4 -4.481 -4.121 16.967 1.00 44.41 O ATOM 1619 CB GLN B 4 -4.197 -3.375 20.459 1.00 14.23 C ATOM 1620 CG GLN B 4 -5.262 -4.475 20.683 1.00 74.42 C ATOM 1621 CD GLN B 4 -5.291 -5.040 22.101 1.00 13.42 C ATOM 1622 OE1 GLN B 4 -4.280 -5.067 22.803 1.00 32.54 O ATOM 1623 NE2 GLN B 4 -6.441 -5.540 22.515 1.00 2.04 N ATOM 0 H GLN B 4 -6.045 -2.757 18.119 1.00 62.02 H new ATOM 0 HA GLN B 4 -3.320 -2.123 18.896 1.00 23.20 H new ATOM 0 HB2 GLN B 4 -3.219 -3.768 20.737 1.00 14.23 H new ATOM 0 HB3 GLN B 4 -4.406 -2.540 21.127 1.00 14.23 H new ATOM 0 HG2 GLN B 4 -6.245 -4.067 20.447 1.00 74.42 H new ATOM 0 HG3 GLN B 4 -5.079 -5.290 19.983 1.00 74.42 H new ATOM 0 HE21 GLN B 4 -7.261 -5.502 21.910 1.00 2.04 H new ATOM 0 HE22 GLN B 4 -6.509 -5.964 23.440 1.00 2.04 H new ATOM 1632 N ASN B 5 -2.850 -4.834 18.406 1.00 5.34 N ATOM 1633 CA ASN B 5 -2.614 -6.172 17.847 1.00 11.33 C ATOM 1634 C ASN B 5 -1.658 -6.945 18.772 1.00 1.15 C ATOM 1635 O ASN B 5 -0.863 -6.341 19.500 1.00 61.22 O ATOM 1636 CB ASN B 5 -2.036 -6.109 16.412 1.00 25.41 C ATOM 1637 CG ASN B 5 -1.801 -7.492 15.774 1.00 23.34 C ATOM 1638 OD1 ASN B 5 -2.503 -8.468 16.079 1.00 30.42 O ATOM 1639 ND2 ASN B 5 -0.838 -7.588 14.871 1.00 4.23 N ATOM 0 H ASN B 5 -2.173 -4.577 19.124 1.00 5.34 H new ATOM 0 HA ASN B 5 -3.572 -6.688 17.784 1.00 11.33 H new ATOM 0 HB2 ASN B 5 -2.718 -5.539 15.781 1.00 25.41 H new ATOM 0 HB3 ASN B 5 -1.092 -5.565 16.434 1.00 25.41 H new ATOM 0 HD21 ASN B 5 -0.660 -8.479 14.409 1.00 4.23 H new ATOM 0 HD22 ASN B 5 -0.274 -6.771 14.638 1.00 4.23 H new ATOM 1646 N THR B 6 -1.757 -8.281 18.748 1.00 43.30 N ATOM 1647 CA THR B 6 -0.843 -9.177 19.467 1.00 11.45 C ATOM 1648 C THR B 6 -0.546 -10.415 18.594 1.00 32.03 C ATOM 1649 O THR B 6 0.601 -10.662 18.213 1.00 0.34 O ATOM 1650 CB THR B 6 -1.450 -9.601 20.845 1.00 31.54 C ATOM 1651 OG1 THR B 6 -1.770 -8.428 21.613 1.00 52.24 O ATOM 1652 CG2 THR B 6 -0.500 -10.501 21.662 1.00 73.33 C ATOM 0 H THR B 6 -2.480 -8.774 18.224 1.00 43.30 H new ATOM 0 HA THR B 6 0.090 -8.649 19.666 1.00 11.45 H new ATOM 0 HB THR B 6 -2.349 -10.180 20.635 1.00 31.54 H new ATOM 0 HG1 THR B 6 -2.152 -8.695 22.475 1.00 52.24 H new ATOM 0 HG21 THR B 6 -0.973 -10.765 22.608 1.00 73.33 H new ATOM 0 HG22 THR B 6 -0.285 -11.409 21.099 1.00 73.33 H new ATOM 0 HG23 THR B 6 0.430 -9.966 21.857 1.00 73.33 H new ATOM 1660 N THR B 7 -1.608 -11.178 18.256 1.00 2.22 N ATOM 1661 CA THR B 7 -1.489 -12.470 17.547 1.00 22.31 C ATOM 1662 C THR B 7 -2.520 -12.573 16.398 1.00 51.34 C ATOM 1663 O THR B 7 -2.154 -12.660 15.221 1.00 24.41 O ATOM 1664 CB THR B 7 -1.692 -13.658 18.551 1.00 30.33 C ATOM 1665 OG1 THR B 7 -2.903 -13.452 19.303 1.00 50.11 O ATOM 1666 CG2 THR B 7 -0.511 -13.820 19.527 1.00 1.00 C ATOM 0 H THR B 7 -2.571 -10.916 18.467 1.00 2.22 H new ATOM 0 HA THR B 7 -0.489 -12.527 17.117 1.00 22.31 H new ATOM 0 HB THR B 7 -1.755 -14.571 17.959 1.00 30.33 H new ATOM 0 HG1 THR B 7 -3.030 -14.195 19.929 1.00 50.11 H new ATOM 0 HG21 THR B 7 -0.706 -14.657 20.198 1.00 1.00 H new ATOM 0 HG22 THR B 7 0.403 -14.011 18.964 1.00 1.00 H new ATOM 0 HG23 THR B 7 -0.393 -12.907 20.110 1.00 1.00 H new ATOM 1674 N HIS B 8 -3.815 -12.575 16.762 1.00 23.43 N ATOM 1675 CA HIS B 8 -4.936 -12.711 15.799 1.00 51.24 C ATOM 1676 C HIS B 8 -5.925 -11.548 15.948 1.00 72.30 C ATOM 1677 O HIS B 8 -7.054 -11.621 15.456 1.00 43.21 O ATOM 1678 CB HIS B 8 -5.658 -14.076 15.991 1.00 10.24 C ATOM 1679 CG HIS B 8 -6.284 -14.296 17.352 1.00 25.51 C ATOM 1680 ND1 HIS B 8 -7.570 -13.891 17.669 1.00 3.11 N ATOM 1681 CD2 HIS B 8 -5.811 -14.909 18.468 1.00 43.51 C ATOM 1682 CE1 HIS B 8 -7.852 -14.250 18.905 1.00 14.15 C ATOM 1683 NE2 HIS B 8 -6.805 -14.866 19.408 1.00 14.51 N ATOM 0 H HIS B 8 -4.120 -12.483 17.731 1.00 23.43 H new ATOM 0 HA HIS B 8 -4.526 -12.679 14.790 1.00 51.24 H new ATOM 0 HB2 HIS B 8 -6.437 -14.165 15.233 1.00 10.24 H new ATOM 0 HB3 HIS B 8 -4.941 -14.876 15.807 1.00 10.24 H new ATOM 0 HD2 HIS B 8 -4.832 -15.349 18.591 1.00 43.51 H new ATOM 0 HE1 HIS B 8 -8.785 -14.069 19.418 1.00 14.15 H new ATOM 0 HE2 HIS B 8 -6.743 -15.251 20.350 1.00 14.51 H new ATOM 1692 N ASP B 9 -5.490 -10.472 16.617 1.00 34.42 N ATOM 1693 CA ASP B 9 -6.308 -9.259 16.799 1.00 3.41 C ATOM 1694 C ASP B 9 -6.431 -8.532 15.451 1.00 62.02 C ATOM 1695 O ASP B 9 -7.505 -8.026 15.091 1.00 14.31 O ATOM 1696 CB ASP B 9 -5.672 -8.347 17.877 1.00 51.21 C ATOM 1697 CG ASP B 9 -6.574 -7.168 18.289 1.00 22.43 C ATOM 1698 OD1 ASP B 9 -6.528 -6.106 17.638 1.00 45.45 O ATOM 1699 OD2 ASP B 9 -7.334 -7.311 19.279 1.00 62.42 O ATOM 0 H ASP B 9 -4.567 -10.415 17.046 1.00 34.42 H new ATOM 0 HA ASP B 9 -7.307 -9.529 17.143 1.00 3.41 H new ATOM 0 HB2 ASP B 9 -5.442 -8.945 18.759 1.00 51.21 H new ATOM 0 HB3 ASP B 9 -4.726 -7.957 17.501 1.00 51.21 H new ATOM 1704 N ASN B 10 -5.308 -8.515 14.705 1.00 53.13 N ATOM 1705 CA ASN B 10 -5.275 -8.028 13.319 1.00 70.13 C ATOM 1706 C ASN B 10 -5.801 -9.119 12.374 1.00 72.41 C ATOM 1707 O ASN B 10 -5.911 -10.300 12.742 1.00 34.25 O ATOM 1708 CB ASN B 10 -3.841 -7.580 12.897 1.00 3.20 C ATOM 1709 CG ASN B 10 -2.843 -8.733 12.672 1.00 45.02 C ATOM 1710 OD1 ASN B 10 -2.922 -9.793 13.297 1.00 3.24 O ATOM 1711 ND2 ASN B 10 -1.866 -8.518 11.807 1.00 13.23 N ATOM 0 H ASN B 10 -4.404 -8.838 15.049 1.00 53.13 H new ATOM 0 HA ASN B 10 -5.919 -7.151 13.252 1.00 70.13 H new ATOM 0 HB2 ASN B 10 -3.913 -6.997 11.979 1.00 3.20 H new ATOM 0 HB3 ASN B 10 -3.442 -6.918 13.665 1.00 3.20 H new ATOM 0 HD21 ASN B 10 -1.160 -9.236 11.647 1.00 13.23 H new ATOM 0 HD22 ASN B 10 -1.819 -7.634 11.300 1.00 13.23 H new ATOM 1718 N VAL B 11 -6.106 -8.709 11.148 1.00 42.33 N ATOM 1719 CA VAL B 11 -6.622 -9.586 10.102 1.00 3.24 C ATOM 1720 C VAL B 11 -5.859 -9.307 8.818 1.00 52.44 C ATOM 1721 O VAL B 11 -5.458 -8.165 8.542 1.00 3.30 O ATOM 1722 CB VAL B 11 -8.174 -9.421 9.849 1.00 44.20 C ATOM 1723 CG1 VAL B 11 -8.981 -9.843 11.091 1.00 54.42 C ATOM 1724 CG2 VAL B 11 -8.543 -7.983 9.408 1.00 21.35 C ATOM 0 H VAL B 11 -6.000 -7.740 10.847 1.00 42.33 H new ATOM 0 HA VAL B 11 -6.477 -10.614 10.435 1.00 3.24 H new ATOM 0 HB VAL B 11 -8.439 -10.085 9.026 1.00 44.20 H new ATOM 0 HG11 VAL B 11 -10.046 -9.720 10.892 1.00 54.42 H new ATOM 0 HG12 VAL B 11 -8.773 -10.888 11.322 1.00 54.42 H new ATOM 0 HG13 VAL B 11 -8.696 -9.220 11.939 1.00 54.42 H new ATOM 0 HG21 VAL B 11 -9.619 -7.917 9.246 1.00 21.35 H new ATOM 0 HG22 VAL B 11 -8.249 -7.277 10.185 1.00 21.35 H new ATOM 0 HG23 VAL B 11 -8.021 -7.741 8.482 1.00 21.35 H new ATOM 1734 N ILE B 12 -5.653 -10.367 8.062 1.00 33.33 N ATOM 1735 CA ILE B 12 -5.078 -10.312 6.739 1.00 4.31 C ATOM 1736 C ILE B 12 -6.225 -10.099 5.751 1.00 21.14 C ATOM 1737 O ILE B 12 -7.013 -11.009 5.523 1.00 23.11 O ATOM 1738 CB ILE B 12 -4.328 -11.652 6.392 1.00 4.35 C ATOM 1739 CG1 ILE B 12 -3.342 -12.089 7.528 1.00 24.20 C ATOM 1740 CG2 ILE B 12 -3.611 -11.538 5.037 1.00 72.11 C ATOM 1741 CD1 ILE B 12 -2.210 -11.122 7.846 1.00 63.53 C ATOM 0 H ILE B 12 -5.888 -11.313 8.362 1.00 33.33 H new ATOM 0 HA ILE B 12 -4.351 -9.501 6.685 1.00 4.31 H new ATOM 0 HB ILE B 12 -5.080 -12.437 6.314 1.00 4.35 H new ATOM 0 HG12 ILE B 12 -3.919 -12.252 8.438 1.00 24.20 H new ATOM 0 HG13 ILE B 12 -2.905 -13.049 7.252 1.00 24.20 H new ATOM 0 HG21 ILE B 12 -3.099 -12.475 4.816 1.00 72.11 H new ATOM 0 HG22 ILE B 12 -4.342 -11.331 4.255 1.00 72.11 H new ATOM 0 HG23 ILE B 12 -2.883 -10.728 5.078 1.00 72.11 H new ATOM 0 HD11 ILE B 12 -1.595 -11.532 8.647 1.00 63.53 H new ATOM 0 HD12 ILE B 12 -1.597 -10.975 6.957 1.00 63.53 H new ATOM 0 HD13 ILE B 12 -2.626 -10.166 8.162 1.00 63.53 H new ATOM 1753 N LEU B 13 -6.361 -8.883 5.240 1.00 42.22 N ATOM 1754 CA LEU B 13 -7.313 -8.589 4.168 1.00 14.03 C ATOM 1755 C LEU B 13 -6.598 -8.841 2.847 1.00 22.41 C ATOM 1756 O LEU B 13 -5.866 -7.968 2.374 1.00 33.24 O ATOM 1757 CB LEU B 13 -7.821 -7.120 4.239 1.00 12.20 C ATOM 1758 CG LEU B 13 -8.439 -6.652 5.588 1.00 62.21 C ATOM 1759 CD1 LEU B 13 -8.891 -5.181 5.516 1.00 63.40 C ATOM 1760 CD2 LEU B 13 -9.596 -7.562 6.012 1.00 12.51 C ATOM 0 H LEU B 13 -5.821 -8.076 5.551 1.00 42.22 H new ATOM 0 HA LEU B 13 -8.191 -9.228 4.267 1.00 14.03 H new ATOM 0 HB2 LEU B 13 -6.986 -6.461 4.002 1.00 12.20 H new ATOM 0 HB3 LEU B 13 -8.568 -6.982 3.458 1.00 12.20 H new ATOM 0 HG LEU B 13 -7.661 -6.724 6.348 1.00 62.21 H new ATOM 0 HD11 LEU B 13 -9.318 -4.884 6.474 1.00 63.40 H new ATOM 0 HD12 LEU B 13 -8.033 -4.548 5.289 1.00 63.40 H new ATOM 0 HD13 LEU B 13 -9.642 -5.069 4.734 1.00 63.40 H new ATOM 0 HD21 LEU B 13 -10.008 -7.210 6.958 1.00 12.51 H new ATOM 0 HD22 LEU B 13 -10.373 -7.542 5.248 1.00 12.51 H new ATOM 0 HD23 LEU B 13 -9.231 -8.582 6.132 1.00 12.51 H new ATOM 1772 N GLU B 14 -6.762 -10.042 2.273 1.00 20.22 N ATOM 1773 CA GLU B 14 -6.108 -10.395 1.007 1.00 52.23 C ATOM 1774 C GLU B 14 -7.036 -9.960 -0.129 1.00 61.40 C ATOM 1775 O GLU B 14 -8.002 -10.642 -0.491 1.00 31.42 O ATOM 1776 CB GLU B 14 -5.686 -11.901 0.904 1.00 54.44 C ATOM 1777 CG GLU B 14 -6.759 -12.954 1.263 1.00 54.12 C ATOM 1778 CD GLU B 14 -6.929 -13.181 2.777 1.00 43.03 C ATOM 1779 OE1 GLU B 14 -6.093 -13.902 3.373 1.00 33.04 O ATOM 1780 OE2 GLU B 14 -7.904 -12.669 3.365 1.00 44.32 O ATOM 0 H GLU B 14 -7.342 -10.784 2.666 1.00 20.22 H new ATOM 0 HA GLU B 14 -5.158 -9.866 0.941 1.00 52.23 H new ATOM 0 HB2 GLU B 14 -5.352 -12.091 -0.116 1.00 54.44 H new ATOM 0 HB3 GLU B 14 -4.826 -12.058 1.555 1.00 54.44 H new ATOM 0 HG2 GLU B 14 -7.715 -12.642 0.843 1.00 54.12 H new ATOM 0 HG3 GLU B 14 -6.497 -13.901 0.791 1.00 54.12 H new ATOM 1787 N LEU B 15 -6.761 -8.759 -0.618 1.00 41.35 N ATOM 1788 CA LEU B 15 -7.563 -8.078 -1.626 1.00 71.44 C ATOM 1789 C LEU B 15 -7.061 -8.476 -3.009 1.00 12.40 C ATOM 1790 O LEU B 15 -5.860 -8.461 -3.252 1.00 65.02 O ATOM 1791 CB LEU B 15 -7.416 -6.545 -1.440 1.00 44.52 C ATOM 1792 CG LEU B 15 -7.520 -6.021 0.024 1.00 74.43 C ATOM 1793 CD1 LEU B 15 -7.150 -4.536 0.084 1.00 51.31 C ATOM 1794 CD2 LEU B 15 -8.914 -6.272 0.627 1.00 24.22 C ATOM 0 H LEU B 15 -5.952 -8.216 -0.317 1.00 41.35 H new ATOM 0 HA LEU B 15 -8.612 -8.357 -1.523 1.00 71.44 H new ATOM 0 HB2 LEU B 15 -6.451 -6.241 -1.846 1.00 44.52 H new ATOM 0 HB3 LEU B 15 -8.183 -6.051 -2.037 1.00 44.52 H new ATOM 0 HG LEU B 15 -6.808 -6.582 0.630 1.00 74.43 H new ATOM 0 HD11 LEU B 15 -7.227 -4.183 1.112 1.00 51.31 H new ATOM 0 HD12 LEU B 15 -6.128 -4.401 -0.270 1.00 51.31 H new ATOM 0 HD13 LEU B 15 -7.831 -3.965 -0.547 1.00 51.31 H new ATOM 0 HD21 LEU B 15 -8.943 -5.891 1.648 1.00 24.22 H new ATOM 0 HD22 LEU B 15 -9.667 -5.760 0.028 1.00 24.22 H new ATOM 0 HD23 LEU B 15 -9.121 -7.342 0.633 1.00 24.22 H new ATOM 1806 N THR B 16 -7.967 -8.836 -3.898 1.00 41.03 N ATOM 1807 CA THR B 16 -7.642 -9.084 -5.305 1.00 3.32 C ATOM 1808 C THR B 16 -8.135 -7.896 -6.123 1.00 51.32 C ATOM 1809 O THR B 16 -9.326 -7.775 -6.398 1.00 65.22 O ATOM 1810 CB THR B 16 -8.275 -10.402 -5.848 1.00 65.35 C ATOM 1811 OG1 THR B 16 -7.826 -11.513 -5.060 1.00 74.31 O ATOM 1812 CG2 THR B 16 -7.923 -10.643 -7.331 1.00 44.15 C ATOM 0 H THR B 16 -8.953 -8.967 -3.673 1.00 41.03 H new ATOM 0 HA THR B 16 -6.562 -9.202 -5.391 1.00 3.32 H new ATOM 0 HB THR B 16 -9.358 -10.304 -5.775 1.00 65.35 H new ATOM 0 HG1 THR B 16 -8.226 -12.340 -5.402 1.00 74.31 H new ATOM 0 HG21 THR B 16 -8.384 -11.571 -7.668 1.00 44.15 H new ATOM 0 HG22 THR B 16 -8.295 -9.814 -7.933 1.00 44.15 H new ATOM 0 HG23 THR B 16 -6.841 -10.714 -7.441 1.00 44.15 H new ATOM 1820 N VAL B 17 -7.222 -6.990 -6.448 1.00 54.51 N ATOM 1821 CA VAL B 17 -7.502 -5.854 -7.333 1.00 52.44 C ATOM 1822 C VAL B 17 -6.719 -6.068 -8.626 1.00 1.33 C ATOM 1823 O VAL B 17 -5.703 -6.771 -8.617 1.00 41.42 O ATOM 1824 CB VAL B 17 -7.123 -4.475 -6.671 1.00 22.22 C ATOM 1825 CG1 VAL B 17 -7.713 -4.366 -5.247 1.00 63.54 C ATOM 1826 CG2 VAL B 17 -5.597 -4.222 -6.666 1.00 13.35 C ATOM 0 H VAL B 17 -6.261 -7.018 -6.107 1.00 54.51 H new ATOM 0 HA VAL B 17 -8.573 -5.809 -7.533 1.00 52.44 H new ATOM 0 HB VAL B 17 -7.567 -3.693 -7.287 1.00 22.22 H new ATOM 0 HG11 VAL B 17 -7.437 -3.406 -4.812 1.00 63.54 H new ATOM 0 HG12 VAL B 17 -8.799 -4.444 -5.296 1.00 63.54 H new ATOM 0 HG13 VAL B 17 -7.319 -5.172 -4.627 1.00 63.54 H new ATOM 0 HG21 VAL B 17 -5.389 -3.259 -6.199 1.00 13.35 H new ATOM 0 HG22 VAL B 17 -5.099 -5.012 -6.104 1.00 13.35 H new ATOM 0 HG23 VAL B 17 -5.226 -4.216 -7.691 1.00 13.35 H new ATOM 1836 N ARG B 18 -7.196 -5.529 -9.746 1.00 74.43 N ATOM 1837 CA ARG B 18 -6.405 -5.542 -10.986 1.00 4.44 C ATOM 1838 C ARG B 18 -5.562 -4.272 -11.082 1.00 15.02 C ATOM 1839 O ARG B 18 -5.961 -3.211 -10.582 1.00 43.10 O ATOM 1840 CB ARG B 18 -7.270 -5.782 -12.243 1.00 4.03 C ATOM 1841 CG ARG B 18 -8.470 -4.847 -12.439 1.00 73.21 C ATOM 1842 CD ARG B 18 -9.295 -5.250 -13.674 1.00 60.14 C ATOM 1843 NE ARG B 18 -8.500 -5.214 -14.924 1.00 64.43 N ATOM 1844 CZ ARG B 18 -9.005 -5.071 -16.161 1.00 1.12 C ATOM 1845 NH1 ARG B 18 -10.317 -4.936 -16.355 1.00 41.25 N ATOM 1846 NH2 ARG B 18 -8.186 -5.075 -17.202 1.00 15.42 N ATOM 0 H ARG B 18 -8.110 -5.084 -9.827 1.00 74.43 H new ATOM 0 HA ARG B 18 -5.726 -6.394 -10.944 1.00 4.44 H new ATOM 0 HB2 ARG B 18 -6.627 -5.700 -13.120 1.00 4.03 H new ATOM 0 HB3 ARG B 18 -7.638 -6.807 -12.213 1.00 4.03 H new ATOM 0 HG2 ARG B 18 -9.103 -4.873 -11.552 1.00 73.21 H new ATOM 0 HG3 ARG B 18 -8.120 -3.821 -12.551 1.00 73.21 H new ATOM 0 HD2 ARG B 18 -9.693 -6.254 -13.529 1.00 60.14 H new ATOM 0 HD3 ARG B 18 -10.149 -4.580 -13.771 1.00 60.14 H new ATOM 0 HE ARG B 18 -7.488 -5.305 -14.839 1.00 64.43 H new ATOM 0 HH11 ARG B 18 -10.953 -4.940 -15.558 1.00 41.25 H new ATOM 0 HH12 ARG B 18 -10.684 -4.828 -17.300 1.00 41.25 H new ATOM 0 HH21 ARG B 18 -7.182 -5.186 -17.061 1.00 15.42 H new ATOM 0 HH22 ARG B 18 -8.559 -4.967 -18.145 1.00 15.42 H new ATOM 1860 N ASN B 19 -4.386 -4.413 -11.716 1.00 25.45 N ATOM 1861 CA ASN B 19 -3.330 -3.402 -11.707 1.00 1.10 C ATOM 1862 C ASN B 19 -3.733 -2.185 -12.562 1.00 75.30 C ATOM 1863 O ASN B 19 -3.522 -2.156 -13.775 1.00 34.04 O ATOM 1864 CB ASN B 19 -1.986 -4.024 -12.187 1.00 52.44 C ATOM 1865 CG ASN B 19 -0.775 -3.088 -12.044 1.00 15.34 C ATOM 1866 OD1 ASN B 19 0.106 -3.065 -12.896 1.00 53.02 O ATOM 1867 ND2 ASN B 19 -0.701 -2.335 -10.950 1.00 50.14 N ATOM 0 H ASN B 19 -4.145 -5.245 -12.254 1.00 25.45 H new ATOM 0 HA ASN B 19 -3.188 -3.048 -10.686 1.00 1.10 H new ATOM 0 HB2 ASN B 19 -1.796 -4.935 -11.620 1.00 52.44 H new ATOM 0 HB3 ASN B 19 -2.086 -4.315 -13.233 1.00 52.44 H new ATOM 0 HD21 ASN B 19 0.101 -1.722 -10.806 1.00 50.14 H new ATOM 0 HD22 ASN B 19 -1.446 -2.371 -10.255 1.00 50.14 H new ATOM 1874 N HIS B 20 -4.392 -1.235 -11.899 1.00 73.01 N ATOM 1875 CA HIS B 20 -4.815 0.056 -12.478 1.00 54.13 C ATOM 1876 C HIS B 20 -4.361 1.191 -11.521 1.00 31.01 C ATOM 1877 O HIS B 20 -4.455 1.024 -10.303 1.00 22.03 O ATOM 1878 CB HIS B 20 -6.362 0.043 -12.677 1.00 51.32 C ATOM 1879 CG HIS B 20 -6.960 1.314 -13.245 1.00 32.35 C ATOM 1880 ND1 HIS B 20 -7.147 1.524 -14.596 1.00 64.32 N ATOM 1881 CD2 HIS B 20 -7.415 2.438 -12.631 1.00 2.03 C ATOM 1882 CE1 HIS B 20 -7.683 2.714 -14.784 1.00 72.33 C ATOM 1883 NE2 HIS B 20 -7.852 3.288 -13.611 1.00 60.40 N ATOM 0 H HIS B 20 -4.657 -1.337 -10.919 1.00 73.01 H new ATOM 0 HA HIS B 20 -4.358 0.224 -13.453 1.00 54.13 H new ATOM 0 HB2 HIS B 20 -6.618 -0.785 -13.338 1.00 51.32 H new ATOM 0 HB3 HIS B 20 -6.832 -0.160 -11.715 1.00 51.32 H new ATOM 0 HD2 HIS B 20 -7.429 2.626 -11.568 1.00 2.03 H new ATOM 0 HE1 HIS B 20 -7.940 3.146 -15.740 1.00 72.33 H new ATOM 0 HE2 HIS B 20 -8.245 4.217 -13.457 1.00 60.40 H new ATOM 1892 N PRO B 21 -3.852 2.361 -12.037 1.00 34.33 N ATOM 1893 CA PRO B 21 -3.394 3.466 -11.163 1.00 1.40 C ATOM 1894 C PRO B 21 -4.567 4.151 -10.403 1.00 24.51 C ATOM 1895 O PRO B 21 -5.390 4.848 -11.003 1.00 23.00 O ATOM 1896 CB PRO B 21 -2.683 4.432 -12.146 1.00 22.35 C ATOM 1897 CG PRO B 21 -3.313 4.163 -13.483 1.00 14.52 C ATOM 1898 CD PRO B 21 -3.660 2.687 -13.485 1.00 70.04 C ATOM 0 HA PRO B 21 -2.738 3.122 -10.364 1.00 1.40 H new ATOM 0 HB2 PRO B 21 -2.821 5.471 -11.847 1.00 22.35 H new ATOM 0 HB3 PRO B 21 -1.609 4.248 -12.172 1.00 22.35 H new ATOM 0 HG2 PRO B 21 -4.204 4.775 -13.626 1.00 14.52 H new ATOM 0 HG3 PRO B 21 -2.627 4.405 -14.295 1.00 14.52 H new ATOM 0 HD2 PRO B 21 -4.563 2.490 -14.062 1.00 70.04 H new ATOM 0 HD3 PRO B 21 -2.863 2.090 -13.927 1.00 70.04 H new ATOM 1906 N GLY B 22 -4.649 3.889 -9.081 1.00 24.15 N ATOM 1907 CA GLY B 22 -5.660 4.508 -8.204 1.00 45.11 C ATOM 1908 C GLY B 22 -6.473 3.498 -7.401 1.00 1.04 C ATOM 1909 O GLY B 22 -7.278 3.890 -6.552 1.00 54.22 O ATOM 0 H GLY B 22 -4.021 3.248 -8.597 1.00 24.15 H new ATOM 0 HA2 GLY B 22 -5.162 5.191 -7.515 1.00 45.11 H new ATOM 0 HA3 GLY B 22 -6.338 5.107 -8.812 1.00 45.11 H new ATOM 1913 N VAL B 23 -6.261 2.195 -7.661 1.00 72.23 N ATOM 1914 CA VAL B 23 -7.016 1.110 -6.990 1.00 53.24 C ATOM 1915 C VAL B 23 -6.408 0.762 -5.616 1.00 25.13 C ATOM 1916 O VAL B 23 -7.117 0.366 -4.694 1.00 32.55 O ATOM 1917 CB VAL B 23 -7.103 -0.160 -7.907 1.00 61.21 C ATOM 1918 CG1 VAL B 23 -7.738 0.218 -9.264 1.00 75.42 C ATOM 1919 CG2 VAL B 23 -5.728 -0.844 -8.092 1.00 41.33 C ATOM 0 H VAL B 23 -5.570 1.862 -8.334 1.00 72.23 H new ATOM 0 HA VAL B 23 -8.029 1.472 -6.815 1.00 53.24 H new ATOM 0 HB VAL B 23 -7.741 -0.892 -7.412 1.00 61.21 H new ATOM 0 HG11 VAL B 23 -7.796 -0.667 -9.898 1.00 75.42 H new ATOM 0 HG12 VAL B 23 -8.740 0.613 -9.099 1.00 75.42 H new ATOM 0 HG13 VAL B 23 -7.126 0.975 -9.754 1.00 75.42 H new ATOM 0 HG21 VAL B 23 -5.840 -1.718 -8.734 1.00 41.33 H new ATOM 0 HG22 VAL B 23 -5.032 -0.143 -8.552 1.00 41.33 H new ATOM 0 HG23 VAL B 23 -5.342 -1.154 -7.121 1.00 41.33 H new ATOM 1929 N MET B 24 -5.086 0.934 -5.497 1.00 52.22 N ATOM 1930 CA MET B 24 -4.368 0.788 -4.220 1.00 72.32 C ATOM 1931 C MET B 24 -4.679 1.995 -3.303 1.00 62.44 C ATOM 1932 O MET B 24 -4.716 1.865 -2.080 1.00 53.33 O ATOM 1933 CB MET B 24 -2.844 0.623 -4.465 1.00 14.22 C ATOM 1934 CG MET B 24 -2.151 1.823 -5.124 1.00 33.34 C ATOM 1935 SD MET B 24 -2.761 2.195 -6.788 1.00 3.30 S ATOM 1936 CE MET B 24 -1.867 3.700 -7.140 1.00 31.34 C ATOM 0 H MET B 24 -4.482 1.178 -6.282 1.00 52.22 H new ATOM 0 HA MET B 24 -4.710 -0.115 -3.715 1.00 72.32 H new ATOM 0 HB2 MET B 24 -2.359 0.424 -3.509 1.00 14.22 H new ATOM 0 HB3 MET B 24 -2.687 -0.255 -5.091 1.00 14.22 H new ATOM 0 HG2 MET B 24 -2.287 2.701 -4.493 1.00 33.34 H new ATOM 0 HG3 MET B 24 -1.080 1.629 -5.175 1.00 33.34 H new ATOM 0 HE1 MET B 24 -1.920 3.914 -8.208 1.00 31.34 H new ATOM 0 HE2 MET B 24 -2.310 4.525 -6.582 1.00 31.34 H new ATOM 0 HE3 MET B 24 -0.824 3.581 -6.845 1.00 31.34 H new ATOM 1946 N THR B 25 -4.918 3.165 -3.929 1.00 30.40 N ATOM 1947 CA THR B 25 -5.471 4.358 -3.259 1.00 4.24 C ATOM 1948 C THR B 25 -6.884 4.064 -2.735 1.00 45.21 C ATOM 1949 O THR B 25 -7.237 4.418 -1.602 1.00 42.21 O ATOM 1950 CB THR B 25 -5.548 5.547 -4.268 1.00 14.41 C ATOM 1951 OG1 THR B 25 -4.257 5.779 -4.827 1.00 1.41 O ATOM 1952 CG2 THR B 25 -6.091 6.840 -3.625 1.00 24.45 C ATOM 0 H THR B 25 -4.731 3.309 -4.921 1.00 30.40 H new ATOM 0 HA THR B 25 -4.818 4.620 -2.426 1.00 4.24 H new ATOM 0 HB THR B 25 -6.252 5.268 -5.052 1.00 14.41 H new ATOM 0 HG1 THR B 25 -4.348 6.280 -5.665 1.00 1.41 H new ATOM 0 HG21 THR B 25 -6.123 7.633 -4.373 1.00 24.45 H new ATOM 0 HG22 THR B 25 -7.096 6.662 -3.242 1.00 24.45 H new ATOM 0 HG23 THR B 25 -5.439 7.140 -2.805 1.00 24.45 H new ATOM 1960 N HIS B 26 -7.661 3.392 -3.604 1.00 50.11 N ATOM 1961 CA HIS B 26 -9.074 3.088 -3.388 1.00 20.50 C ATOM 1962 C HIS B 26 -9.260 2.200 -2.146 1.00 35.32 C ATOM 1963 O HIS B 26 -10.051 2.528 -1.257 1.00 30.03 O ATOM 1964 CB HIS B 26 -9.648 2.387 -4.648 1.00 20.04 C ATOM 1965 CG HIS B 26 -11.137 2.384 -4.726 1.00 31.22 C ATOM 1966 ND1 HIS B 26 -11.917 1.278 -4.487 1.00 23.41 N ATOM 1967 CD2 HIS B 26 -11.984 3.383 -5.017 1.00 31.01 C ATOM 1968 CE1 HIS B 26 -13.182 1.602 -4.624 1.00 44.40 C ATOM 1969 NE2 HIS B 26 -13.251 2.875 -4.948 1.00 45.35 N ATOM 0 H HIS B 26 -7.309 3.040 -4.494 1.00 50.11 H new ATOM 0 HA HIS B 26 -9.614 4.019 -3.215 1.00 20.50 H new ATOM 0 HB2 HIS B 26 -9.251 2.879 -5.536 1.00 20.04 H new ATOM 0 HB3 HIS B 26 -9.293 1.357 -4.669 1.00 20.04 H new ATOM 0 HD1 HIS B 26 -11.568 0.351 -4.242 1.00 23.41 H new ATOM 0 HD2 HIS B 26 -11.715 4.400 -5.261 1.00 31.01 H new ATOM 0 HE1 HIS B 26 -14.023 0.937 -4.493 1.00 44.40 H new ATOM 1978 N VAL B 27 -8.481 1.094 -2.083 1.00 65.22 N ATOM 1979 CA VAL B 27 -8.573 0.124 -0.979 1.00 71.54 C ATOM 1980 C VAL B 27 -8.171 0.761 0.358 1.00 33.12 C ATOM 1981 O VAL B 27 -8.936 0.702 1.331 1.00 61.12 O ATOM 1982 CB VAL B 27 -7.760 -1.199 -1.271 1.00 1.23 C ATOM 1983 CG1 VAL B 27 -8.284 -1.895 -2.548 1.00 15.22 C ATOM 1984 CG2 VAL B 27 -6.237 -0.961 -1.374 1.00 73.13 C ATOM 0 H VAL B 27 -7.783 0.856 -2.787 1.00 65.22 H new ATOM 0 HA VAL B 27 -9.619 -0.171 -0.900 1.00 71.54 H new ATOM 0 HB VAL B 27 -7.920 -1.854 -0.414 1.00 1.23 H new ATOM 0 HG11 VAL B 27 -7.709 -2.803 -2.729 1.00 15.22 H new ATOM 0 HG12 VAL B 27 -9.336 -2.151 -2.418 1.00 15.22 H new ATOM 0 HG13 VAL B 27 -8.177 -1.222 -3.399 1.00 15.22 H new ATOM 0 HG21 VAL B 27 -5.734 -1.907 -1.575 1.00 73.13 H new ATOM 0 HG22 VAL B 27 -6.032 -0.261 -2.184 1.00 73.13 H new ATOM 0 HG23 VAL B 27 -5.869 -0.547 -0.435 1.00 73.13 H new ATOM 1994 N CYS B 28 -7.019 1.454 0.360 1.00 20.22 N ATOM 1995 CA CYS B 28 -6.494 2.141 1.545 1.00 33.31 C ATOM 1996 C CYS B 28 -7.474 3.228 2.043 1.00 31.04 C ATOM 1997 O CYS B 28 -7.572 3.472 3.245 1.00 23.23 O ATOM 1998 CB CYS B 28 -5.114 2.746 1.210 1.00 4.44 C ATOM 1999 SG CYS B 28 -3.838 1.512 0.876 1.00 75.20 S ATOM 0 H CYS B 28 -6.427 1.552 -0.465 1.00 20.22 H new ATOM 0 HA CYS B 28 -6.381 1.419 2.354 1.00 33.31 H new ATOM 0 HB2 CYS B 28 -5.214 3.396 0.341 1.00 4.44 H new ATOM 0 HB3 CYS B 28 -4.791 3.373 2.041 1.00 4.44 H new ATOM 0 HG CYS B 28 -3.779 1.284 -0.403 1.00 75.20 H new ATOM 2005 N GLY B 29 -8.213 3.834 1.087 1.00 63.54 N ATOM 2006 CA GLY B 29 -9.186 4.888 1.372 1.00 50.53 C ATOM 2007 C GLY B 29 -10.340 4.425 2.254 1.00 14.52 C ATOM 2008 O GLY B 29 -10.747 5.146 3.177 1.00 34.02 O ATOM 0 H GLY B 29 -8.144 3.598 0.097 1.00 63.54 H new ATOM 0 HA2 GLY B 29 -8.677 5.720 1.859 1.00 50.53 H new ATOM 0 HA3 GLY B 29 -9.587 5.266 0.431 1.00 50.53 H new ATOM 2012 N LEU B 30 -10.859 3.213 1.975 1.00 53.02 N ATOM 2013 CA LEU B 30 -11.981 2.630 2.740 1.00 4.40 C ATOM 2014 C LEU B 30 -11.550 2.254 4.175 1.00 73.52 C ATOM 2015 O LEU B 30 -12.252 2.564 5.148 1.00 32.25 O ATOM 2016 CB LEU B 30 -12.598 1.398 2.001 1.00 4.33 C ATOM 2017 CG LEU B 30 -13.679 1.707 0.904 1.00 4.24 C ATOM 2018 CD1 LEU B 30 -14.766 2.674 1.425 1.00 32.43 C ATOM 2019 CD2 LEU B 30 -13.070 2.220 -0.410 1.00 62.24 C ATOM 0 H LEU B 30 -10.518 2.616 1.222 1.00 53.02 H new ATOM 0 HA LEU B 30 -12.754 3.395 2.814 1.00 4.40 H new ATOM 0 HB2 LEU B 30 -11.787 0.840 1.533 1.00 4.33 H new ATOM 0 HB3 LEU B 30 -13.047 0.742 2.747 1.00 4.33 H new ATOM 0 HG LEU B 30 -14.156 0.753 0.679 1.00 4.24 H new ATOM 0 HD11 LEU B 30 -15.494 2.862 0.636 1.00 32.43 H new ATOM 0 HD12 LEU B 30 -15.268 2.228 2.284 1.00 32.43 H new ATOM 0 HD13 LEU B 30 -14.303 3.615 1.723 1.00 32.43 H new ATOM 0 HD21 LEU B 30 -13.866 2.416 -1.128 1.00 62.24 H new ATOM 0 HD22 LEU B 30 -12.518 3.141 -0.220 1.00 62.24 H new ATOM 0 HD23 LEU B 30 -12.393 1.468 -0.815 1.00 62.24 H new ATOM 2031 N PHE B 31 -10.391 1.611 4.296 1.00 3.14 N ATOM 2032 CA PHE B 31 -9.889 1.107 5.596 1.00 24.24 C ATOM 2033 C PHE B 31 -9.429 2.262 6.512 1.00 43.10 C ATOM 2034 O PHE B 31 -9.477 2.149 7.744 1.00 0.12 O ATOM 2035 CB PHE B 31 -8.783 0.050 5.359 1.00 74.30 C ATOM 2036 CG PHE B 31 -9.251 -1.082 4.426 1.00 4.04 C ATOM 2037 CD1 PHE B 31 -10.486 -1.714 4.626 1.00 31.21 C ATOM 2038 CD2 PHE B 31 -8.486 -1.486 3.337 1.00 64.24 C ATOM 2039 CE1 PHE B 31 -10.932 -2.701 3.763 1.00 11.31 C ATOM 2040 CE2 PHE B 31 -8.936 -2.468 2.474 1.00 73.02 C ATOM 2041 CZ PHE B 31 -10.154 -3.080 2.688 1.00 71.15 C ATOM 0 H PHE B 31 -9.769 1.420 3.510 1.00 3.14 H new ATOM 0 HA PHE B 31 -10.705 0.616 6.126 1.00 24.24 H new ATOM 0 HB2 PHE B 31 -7.906 0.534 4.929 1.00 74.30 H new ATOM 0 HB3 PHE B 31 -8.476 -0.373 6.315 1.00 74.30 H new ATOM 0 HD1 PHE B 31 -11.100 -1.427 5.467 1.00 31.21 H new ATOM 0 HD2 PHE B 31 -7.525 -1.025 3.163 1.00 64.24 H new ATOM 0 HE1 PHE B 31 -11.888 -3.174 3.931 1.00 11.31 H new ATOM 0 HE2 PHE B 31 -8.331 -2.758 1.628 1.00 73.02 H new ATOM 0 HZ PHE B 31 -10.497 -3.853 2.016 1.00 71.15 H new ATOM 2051 N ALA B 32 -9.010 3.374 5.879 1.00 71.21 N ATOM 2052 CA ALA B 32 -8.695 4.643 6.561 1.00 65.02 C ATOM 2053 C ALA B 32 -9.935 5.229 7.255 1.00 2.33 C ATOM 2054 O ALA B 32 -9.905 5.559 8.445 1.00 44.43 O ATOM 2055 CB ALA B 32 -8.154 5.660 5.541 1.00 55.40 C ATOM 0 H ALA B 32 -8.879 3.417 4.868 1.00 71.21 H new ATOM 0 HA ALA B 32 -7.941 4.438 7.321 1.00 65.02 H new ATOM 0 HB1 ALA B 32 -7.922 6.596 6.049 1.00 55.40 H new ATOM 0 HB2 ALA B 32 -7.250 5.265 5.078 1.00 55.40 H new ATOM 0 HB3 ALA B 32 -8.906 5.840 4.773 1.00 55.40 H new ATOM 2061 N ARG B 33 -11.039 5.319 6.483 1.00 21.00 N ATOM 2062 CA ARG B 33 -12.270 6.016 6.909 1.00 14.12 C ATOM 2063 C ARG B 33 -13.142 5.147 7.832 1.00 54.05 C ATOM 2064 O ARG B 33 -14.198 5.601 8.289 1.00 52.43 O ATOM 2065 CB ARG B 33 -13.085 6.462 5.662 1.00 4.25 C ATOM 2066 CG ARG B 33 -13.724 5.311 4.861 1.00 34.53 C ATOM 2067 CD ARG B 33 -14.424 5.788 3.585 1.00 75.03 C ATOM 2068 NE ARG B 33 -15.512 6.737 3.872 1.00 21.24 N ATOM 2069 CZ ARG B 33 -16.018 7.626 3.003 1.00 4.13 C ATOM 2070 NH1 ARG B 33 -15.539 7.719 1.762 1.00 62.00 N ATOM 2071 NH2 ARG B 33 -16.998 8.434 3.387 1.00 13.04 N ATOM 0 H ARG B 33 -11.101 4.912 5.550 1.00 21.00 H new ATOM 0 HA ARG B 33 -11.969 6.893 7.482 1.00 14.12 H new ATOM 0 HB2 ARG B 33 -13.873 7.142 5.985 1.00 4.25 H new ATOM 0 HB3 ARG B 33 -12.429 7.026 4.999 1.00 4.25 H new ATOM 0 HG2 ARG B 33 -12.953 4.587 4.597 1.00 34.53 H new ATOM 0 HG3 ARG B 33 -14.445 4.792 5.493 1.00 34.53 H new ATOM 0 HD2 ARG B 33 -13.695 6.261 2.927 1.00 75.03 H new ATOM 0 HD3 ARG B 33 -14.826 4.928 3.049 1.00 75.03 H new ATOM 0 HE ARG B 33 -15.915 6.717 4.809 1.00 21.24 H new ATOM 0 HH11 ARG B 33 -14.778 7.110 1.462 1.00 62.00 H new ATOM 0 HH12 ARG B 33 -15.934 8.399 1.113 1.00 62.00 H new ATOM 0 HH21 ARG B 33 -17.363 8.377 4.338 1.00 13.04 H new ATOM 0 HH22 ARG B 33 -17.387 9.112 2.731 1.00 13.04 H new ATOM 2085 N ARG B 34 -12.701 3.898 8.099 1.00 4.34 N ATOM 2086 CA ARG B 34 -13.419 2.981 8.991 1.00 1.50 C ATOM 2087 C ARG B 34 -13.369 3.530 10.424 1.00 41.31 C ATOM 2088 O ARG B 34 -14.415 3.819 11.005 1.00 20.52 O ATOM 2089 CB ARG B 34 -12.825 1.543 8.881 1.00 42.44 C ATOM 2090 CG ARG B 34 -13.537 0.456 9.741 1.00 20.53 C ATOM 2091 CD ARG B 34 -12.939 0.281 11.151 1.00 64.11 C ATOM 2092 NE ARG B 34 -11.564 -0.250 11.105 1.00 74.21 N ATOM 2093 CZ ARG B 34 -10.877 -0.729 12.157 1.00 44.23 C ATOM 2094 NH1 ARG B 34 -11.399 -0.754 13.379 1.00 13.15 N ATOM 2095 NH2 ARG B 34 -9.658 -1.193 11.976 1.00 45.23 N ATOM 0 H ARG B 34 -11.846 3.507 7.704 1.00 4.34 H new ATOM 0 HA ARG B 34 -14.466 2.911 8.696 1.00 1.50 H new ATOM 0 HB2 ARG B 34 -12.858 1.234 7.836 1.00 42.44 H new ATOM 0 HB3 ARG B 34 -11.775 1.579 9.170 1.00 42.44 H new ATOM 0 HG2 ARG B 34 -14.592 0.715 9.834 1.00 20.53 H new ATOM 0 HG3 ARG B 34 -13.488 -0.498 9.216 1.00 20.53 H new ATOM 0 HD2 ARG B 34 -12.940 1.241 11.667 1.00 64.11 H new ATOM 0 HD3 ARG B 34 -13.569 -0.393 11.731 1.00 64.11 H new ATOM 0 HE ARG B 34 -11.095 -0.254 10.199 1.00 74.21 H new ATOM 0 HH11 ARG B 34 -12.344 -0.404 13.537 1.00 13.15 H new ATOM 0 HH12 ARG B 34 -10.855 -1.123 14.159 1.00 13.15 H new ATOM 0 HH21 ARG B 34 -9.243 -1.187 11.044 1.00 45.23 H new ATOM 0 HH22 ARG B 34 -9.129 -1.558 12.768 1.00 45.23 H new ATOM 2109 N ALA B 35 -12.137 3.672 10.958 1.00 22.03 N ATOM 2110 CA ALA B 35 -11.883 4.182 12.322 1.00 52.04 C ATOM 2111 C ALA B 35 -10.375 4.185 12.599 1.00 10.30 C ATOM 2112 O ALA B 35 -9.760 5.235 12.804 1.00 53.32 O ATOM 2113 CB ALA B 35 -12.618 3.335 13.393 1.00 52.13 C ATOM 0 H ALA B 35 -11.285 3.434 10.451 1.00 22.03 H new ATOM 0 HA ALA B 35 -12.269 5.199 12.381 1.00 52.04 H new ATOM 0 HB1 ALA B 35 -12.408 3.739 14.383 1.00 52.13 H new ATOM 0 HB2 ALA B 35 -13.692 3.367 13.208 1.00 52.13 H new ATOM 0 HB3 ALA B 35 -12.271 2.303 13.341 1.00 52.13 H new ATOM 2119 N PHE B 36 -9.792 2.976 12.575 1.00 42.02 N ATOM 2120 CA PHE B 36 -8.397 2.736 12.984 1.00 43.43 C ATOM 2121 C PHE B 36 -7.440 2.875 11.770 1.00 52.52 C ATOM 2122 O PHE B 36 -7.876 2.907 10.612 1.00 24.31 O ATOM 2123 CB PHE B 36 -8.296 1.321 13.643 1.00 72.23 C ATOM 2124 CG PHE B 36 -6.937 0.993 14.271 1.00 33.13 C ATOM 2125 CD1 PHE B 36 -6.579 1.515 15.513 1.00 63.15 C ATOM 2126 CD2 PHE B 36 -6.016 0.164 13.620 1.00 51.21 C ATOM 2127 CE1 PHE B 36 -5.345 1.229 16.074 1.00 52.33 C ATOM 2128 CE2 PHE B 36 -4.784 -0.118 14.182 1.00 44.44 C ATOM 2129 CZ PHE B 36 -4.453 0.410 15.412 1.00 53.05 C ATOM 0 H PHE B 36 -10.277 2.132 12.270 1.00 42.02 H new ATOM 0 HA PHE B 36 -8.092 3.484 13.716 1.00 43.43 H new ATOM 0 HB2 PHE B 36 -9.064 1.240 14.412 1.00 72.23 H new ATOM 0 HB3 PHE B 36 -8.521 0.568 12.887 1.00 72.23 H new ATOM 0 HD1 PHE B 36 -7.272 2.150 16.044 1.00 63.15 H new ATOM 0 HD2 PHE B 36 -6.272 -0.263 12.662 1.00 51.21 H new ATOM 0 HE1 PHE B 36 -5.080 1.649 17.033 1.00 52.33 H new ATOM 0 HE2 PHE B 36 -4.083 -0.751 13.658 1.00 44.44 H new ATOM 0 HZ PHE B 36 -3.496 0.183 15.857 1.00 53.05 H new ATOM 2139 N ASN B 37 -6.135 2.955 12.083 1.00 44.34 N ATOM 2140 CA ASN B 37 -5.018 3.042 11.112 1.00 44.24 C ATOM 2141 C ASN B 37 -4.848 1.710 10.348 1.00 74.34 C ATOM 2142 O ASN B 37 -5.548 0.736 10.616 1.00 25.25 O ATOM 2143 CB ASN B 37 -3.692 3.354 11.885 1.00 12.15 C ATOM 2144 CG ASN B 37 -3.767 4.544 12.852 1.00 34.44 C ATOM 2145 OD1 ASN B 37 -4.828 4.894 13.369 1.00 33.12 O ATOM 2146 ND2 ASN B 37 -2.631 5.150 13.136 1.00 2.53 N ATOM 0 H ASN B 37 -5.812 2.961 13.051 1.00 44.34 H new ATOM 0 HA ASN B 37 -5.241 3.833 10.396 1.00 44.24 H new ATOM 0 HB2 ASN B 37 -3.400 2.467 12.447 1.00 12.15 H new ATOM 0 HB3 ASN B 37 -2.902 3.545 11.158 1.00 12.15 H new ATOM 0 HD21 ASN B 37 -2.619 5.927 13.797 1.00 2.53 H new ATOM 0 HD22 ASN B 37 -1.764 4.842 12.695 1.00 2.53 H new ATOM 2153 N VAL B 38 -3.901 1.677 9.401 1.00 40.31 N ATOM 2154 CA VAL B 38 -3.415 0.420 8.795 1.00 11.55 C ATOM 2155 C VAL B 38 -2.052 0.077 9.405 1.00 40.55 C ATOM 2156 O VAL B 38 -1.186 0.947 9.517 1.00 34.31 O ATOM 2157 CB VAL B 38 -3.303 0.502 7.224 1.00 61.22 C ATOM 2158 CG1 VAL B 38 -2.578 -0.733 6.632 1.00 5.12 C ATOM 2159 CG2 VAL B 38 -4.702 0.653 6.592 1.00 44.34 C ATOM 0 H VAL B 38 -3.449 2.514 9.032 1.00 40.31 H new ATOM 0 HA VAL B 38 -4.143 -0.362 9.011 1.00 11.55 H new ATOM 0 HB VAL B 38 -2.706 1.382 6.985 1.00 61.22 H new ATOM 0 HG11 VAL B 38 -2.522 -0.637 5.548 1.00 5.12 H new ATOM 0 HG12 VAL B 38 -1.570 -0.795 7.043 1.00 5.12 H new ATOM 0 HG13 VAL B 38 -3.131 -1.637 6.888 1.00 5.12 H new ATOM 0 HG21 VAL B 38 -4.607 0.708 5.508 1.00 44.34 H new ATOM 0 HG22 VAL B 38 -5.317 -0.207 6.859 1.00 44.34 H new ATOM 0 HG23 VAL B 38 -5.172 1.564 6.962 1.00 44.34 H new ATOM 2169 N GLU B 39 -1.894 -1.188 9.797 1.00 62.21 N ATOM 2170 CA GLU B 39 -0.661 -1.722 10.387 1.00 23.34 C ATOM 2171 C GLU B 39 0.386 -1.982 9.276 1.00 50.04 C ATOM 2172 O GLU B 39 1.473 -1.397 9.285 1.00 11.32 O ATOM 2173 CB GLU B 39 -1.022 -3.023 11.152 1.00 44.45 C ATOM 2174 CG GLU B 39 0.146 -3.756 11.831 1.00 33.35 C ATOM 2175 CD GLU B 39 -0.321 -5.031 12.547 1.00 15.43 C ATOM 2176 OE1 GLU B 39 -0.954 -4.905 13.614 1.00 72.11 O ATOM 2177 OE2 GLU B 39 -0.092 -6.149 12.037 1.00 45.44 O ATOM 0 H GLU B 39 -2.633 -1.886 9.712 1.00 62.21 H new ATOM 0 HA GLU B 39 -0.220 -1.008 11.083 1.00 23.34 H new ATOM 0 HB2 GLU B 39 -1.762 -2.779 11.914 1.00 44.45 H new ATOM 0 HB3 GLU B 39 -1.498 -3.711 10.453 1.00 44.45 H new ATOM 0 HG2 GLU B 39 0.897 -4.013 11.084 1.00 33.35 H new ATOM 0 HG3 GLU B 39 0.625 -3.090 12.549 1.00 33.35 H new ATOM 2184 N GLY B 40 0.010 -2.821 8.289 1.00 41.31 N ATOM 2185 CA GLY B 40 0.923 -3.243 7.217 1.00 22.04 C ATOM 2186 C GLY B 40 0.221 -3.381 5.875 1.00 62.21 C ATOM 2187 O GLY B 40 -0.980 -3.629 5.830 1.00 5.34 O ATOM 0 H GLY B 40 -0.926 -3.219 8.216 1.00 41.31 H new ATOM 0 HA2 GLY B 40 1.732 -2.518 7.127 1.00 22.04 H new ATOM 0 HA3 GLY B 40 1.377 -4.197 7.486 1.00 22.04 H new ATOM 2191 N ILE B 41 0.966 -3.173 4.774 1.00 5.52 N ATOM 2192 CA ILE B 41 0.465 -3.371 3.389 1.00 53.32 C ATOM 2193 C ILE B 41 1.510 -4.166 2.591 1.00 2.52 C ATOM 2194 O ILE B 41 2.715 -3.956 2.762 1.00 52.52 O ATOM 2195 CB ILE B 41 0.192 -2.002 2.636 1.00 51.45 C ATOM 2196 CG1 ILE B 41 -0.779 -1.097 3.451 1.00 41.23 C ATOM 2197 CG2 ILE B 41 -0.357 -2.228 1.202 1.00 42.24 C ATOM 2198 CD1 ILE B 41 -1.051 0.267 2.841 1.00 42.32 C ATOM 0 H ILE B 41 1.937 -2.862 4.813 1.00 5.52 H new ATOM 0 HA ILE B 41 -0.481 -3.907 3.459 1.00 53.32 H new ATOM 0 HB ILE B 41 1.151 -1.492 2.548 1.00 51.45 H new ATOM 0 HG12 ILE B 41 -1.727 -1.621 3.568 1.00 41.23 H new ATOM 0 HG13 ILE B 41 -0.367 -0.956 4.450 1.00 41.23 H new ATOM 0 HG21 ILE B 41 -0.530 -1.264 0.723 1.00 42.24 H new ATOM 0 HG22 ILE B 41 0.368 -2.798 0.621 1.00 42.24 H new ATOM 0 HG23 ILE B 41 -1.295 -2.781 1.254 1.00 42.24 H new ATOM 0 HD11 ILE B 41 -1.737 0.822 3.481 1.00 42.32 H new ATOM 0 HD12 ILE B 41 -0.115 0.818 2.749 1.00 42.32 H new ATOM 0 HD13 ILE B 41 -1.496 0.142 1.854 1.00 42.32 H new ATOM 2210 N LEU B 42 1.039 -5.070 1.718 1.00 22.33 N ATOM 2211 CA LEU B 42 1.894 -5.770 0.750 1.00 55.15 C ATOM 2212 C LEU B 42 1.143 -5.928 -0.585 1.00 53.41 C ATOM 2213 O LEU B 42 0.328 -6.825 -0.745 1.00 55.22 O ATOM 2214 CB LEU B 42 2.351 -7.153 1.286 1.00 43.13 C ATOM 2215 CG LEU B 42 3.201 -8.019 0.295 1.00 14.33 C ATOM 2216 CD1 LEU B 42 4.525 -7.335 -0.086 1.00 51.04 C ATOM 2217 CD2 LEU B 42 3.450 -9.409 0.870 1.00 45.25 C ATOM 0 H LEU B 42 0.056 -5.335 1.664 1.00 22.33 H new ATOM 0 HA LEU B 42 2.791 -5.172 0.591 1.00 55.15 H new ATOM 0 HB2 LEU B 42 2.934 -6.996 2.194 1.00 43.13 H new ATOM 0 HB3 LEU B 42 1.466 -7.722 1.570 1.00 43.13 H new ATOM 0 HG LEU B 42 2.621 -8.122 -0.622 1.00 14.33 H new ATOM 0 HD11 LEU B 42 5.079 -7.973 -0.774 1.00 51.04 H new ATOM 0 HD12 LEU B 42 4.316 -6.379 -0.566 1.00 51.04 H new ATOM 0 HD13 LEU B 42 5.120 -7.167 0.812 1.00 51.04 H new ATOM 0 HD21 LEU B 42 4.042 -9.993 0.166 1.00 45.25 H new ATOM 0 HD22 LEU B 42 3.990 -9.321 1.813 1.00 45.25 H new ATOM 0 HD23 LEU B 42 2.496 -9.907 1.043 1.00 45.25 H new ATOM 2229 N CYS B 43 1.414 -5.026 -1.532 1.00 5.24 N ATOM 2230 CA CYS B 43 0.866 -5.112 -2.893 1.00 22.25 C ATOM 2231 C CYS B 43 1.834 -5.936 -3.757 1.00 33.34 C ATOM 2232 O CYS B 43 2.835 -5.414 -4.256 1.00 13.24 O ATOM 2233 CB CYS B 43 0.654 -3.694 -3.460 1.00 3.12 C ATOM 2234 SG CYS B 43 0.008 -3.608 -5.140 1.00 24.22 S ATOM 0 H CYS B 43 2.017 -4.217 -1.380 1.00 5.24 H new ATOM 0 HA CYS B 43 -0.105 -5.608 -2.889 1.00 22.25 H new ATOM 0 HB2 CYS B 43 -0.029 -3.158 -2.801 1.00 3.12 H new ATOM 0 HB3 CYS B 43 1.607 -3.165 -3.430 1.00 3.12 H new ATOM 0 HG CYS B 43 0.440 -4.626 -5.824 1.00 24.22 H new ATOM 2240 N LEU B 44 1.562 -7.248 -3.839 1.00 13.22 N ATOM 2241 CA LEU B 44 2.380 -8.207 -4.594 1.00 3.35 C ATOM 2242 C LEU B 44 1.823 -8.324 -6.032 1.00 74.32 C ATOM 2243 O LEU B 44 0.686 -8.793 -6.198 1.00 22.51 O ATOM 2244 CB LEU B 44 2.337 -9.596 -3.891 1.00 43.23 C ATOM 2245 CG LEU B 44 3.437 -10.622 -4.302 1.00 1.54 C ATOM 2246 CD1 LEU B 44 4.795 -10.234 -3.691 1.00 51.04 C ATOM 2247 CD2 LEU B 44 3.042 -12.067 -3.912 1.00 41.34 C ATOM 0 H LEU B 44 0.759 -7.676 -3.378 1.00 13.22 H new ATOM 0 HA LEU B 44 3.413 -7.863 -4.633 1.00 3.35 H new ATOM 0 HB2 LEU B 44 2.406 -9.435 -2.815 1.00 43.23 H new ATOM 0 HB3 LEU B 44 1.363 -10.045 -4.084 1.00 43.23 H new ATOM 0 HG LEU B 44 3.530 -10.594 -5.388 1.00 1.54 H new ATOM 0 HD11 LEU B 44 5.549 -10.962 -3.989 1.00 51.04 H new ATOM 0 HD12 LEU B 44 5.085 -9.245 -4.046 1.00 51.04 H new ATOM 0 HD13 LEU B 44 4.714 -10.220 -2.604 1.00 51.04 H new ATOM 0 HD21 LEU B 44 3.832 -12.754 -4.214 1.00 41.34 H new ATOM 0 HD22 LEU B 44 2.902 -12.127 -2.833 1.00 41.34 H new ATOM 0 HD23 LEU B 44 2.114 -12.339 -4.414 1.00 41.34 H new ATOM 2259 N PRO B 45 2.589 -7.893 -7.086 1.00 12.34 N ATOM 2260 CA PRO B 45 2.105 -7.915 -8.489 1.00 41.42 C ATOM 2261 C PRO B 45 2.072 -9.339 -9.098 1.00 44.31 C ATOM 2262 O PRO B 45 2.928 -10.185 -8.800 1.00 63.41 O ATOM 2263 CB PRO B 45 3.119 -7.004 -9.222 1.00 11.12 C ATOM 2264 CG PRO B 45 4.394 -7.141 -8.440 1.00 23.12 C ATOM 2265 CD PRO B 45 3.974 -7.334 -6.992 1.00 75.32 C ATOM 0 HA PRO B 45 1.073 -7.575 -8.573 1.00 41.42 H new ATOM 0 HB2 PRO B 45 3.255 -7.316 -10.257 1.00 11.12 H new ATOM 0 HB3 PRO B 45 2.777 -5.969 -9.243 1.00 11.12 H new ATOM 0 HG2 PRO B 45 4.980 -7.989 -8.793 1.00 23.12 H new ATOM 0 HG3 PRO B 45 5.018 -6.254 -8.551 1.00 23.12 H new ATOM 0 HD2 PRO B 45 4.645 -8.016 -6.470 1.00 75.32 H new ATOM 0 HD3 PRO B 45 3.987 -6.392 -6.444 1.00 75.32 H new ATOM 2273 N ILE B 46 1.059 -9.583 -9.947 1.00 53.32 N ATOM 2274 CA ILE B 46 0.875 -10.848 -10.674 1.00 54.44 C ATOM 2275 C ILE B 46 1.317 -10.636 -12.139 1.00 33.02 C ATOM 2276 O ILE B 46 0.847 -9.702 -12.801 1.00 75.35 O ATOM 2277 CB ILE B 46 -0.631 -11.367 -10.594 1.00 12.42 C ATOM 2278 CG1 ILE B 46 -0.987 -11.941 -9.176 1.00 51.22 C ATOM 2279 CG2 ILE B 46 -0.945 -12.423 -11.679 1.00 3.32 C ATOM 2280 CD1 ILE B 46 -1.040 -10.924 -8.056 1.00 64.30 C ATOM 0 H ILE B 46 0.334 -8.895 -10.150 1.00 53.32 H new ATOM 0 HA ILE B 46 1.488 -11.621 -10.210 1.00 54.44 H new ATOM 0 HB ILE B 46 -1.254 -10.492 -10.777 1.00 12.42 H new ATOM 0 HG12 ILE B 46 -1.955 -12.439 -9.237 1.00 51.22 H new ATOM 0 HG13 ILE B 46 -0.252 -12.703 -8.917 1.00 51.22 H new ATOM 0 HG21 ILE B 46 -1.982 -12.746 -11.584 1.00 3.32 H new ATOM 0 HG22 ILE B 46 -0.790 -11.988 -12.666 1.00 3.32 H new ATOM 0 HG23 ILE B 46 -0.285 -13.281 -11.553 1.00 3.32 H new ATOM 0 HD11 ILE B 46 -1.294 -11.425 -7.122 1.00 64.30 H new ATOM 0 HD12 ILE B 46 -0.068 -10.441 -7.957 1.00 64.30 H new ATOM 0 HD13 ILE B 46 -1.797 -10.173 -8.282 1.00 64.30 H new ATOM 2292 N GLN B 47 2.238 -11.492 -12.621 1.00 13.10 N ATOM 2293 CA GLN B 47 2.767 -11.429 -14.004 1.00 61.31 C ATOM 2294 C GLN B 47 1.838 -12.156 -14.990 1.00 63.54 C ATOM 2295 O GLN B 47 1.790 -11.804 -16.175 1.00 34.23 O ATOM 2296 CB GLN B 47 4.194 -12.037 -14.067 1.00 62.12 C ATOM 2297 CG GLN B 47 4.286 -13.523 -13.647 1.00 32.11 C ATOM 2298 CD GLN B 47 5.699 -14.109 -13.720 1.00 52.54 C ATOM 2299 OE1 GLN B 47 6.517 -13.703 -14.549 1.00 1.13 O ATOM 2300 NE2 GLN B 47 5.989 -15.084 -12.872 1.00 71.32 N ATOM 0 H GLN B 47 2.639 -12.248 -12.066 1.00 13.10 H new ATOM 0 HA GLN B 47 2.816 -10.380 -14.295 1.00 61.31 H new ATOM 0 HB2 GLN B 47 4.571 -11.938 -15.085 1.00 62.12 H new ATOM 0 HB3 GLN B 47 4.852 -11.451 -13.425 1.00 62.12 H new ATOM 0 HG2 GLN B 47 3.915 -13.624 -12.627 1.00 32.11 H new ATOM 0 HG3 GLN B 47 3.627 -14.111 -14.286 1.00 32.11 H new ATOM 0 HE21 GLN B 47 5.291 -15.398 -12.198 1.00 71.32 H new ATOM 0 HE22 GLN B 47 6.910 -15.521 -12.893 1.00 71.32 H new ATOM 2309 N ASP B 48 1.103 -13.158 -14.466 1.00 74.24 N ATOM 2310 CA ASP B 48 0.225 -14.039 -15.263 1.00 30.13 C ATOM 2311 C ASP B 48 -0.895 -13.236 -15.965 1.00 73.12 C ATOM 2312 O ASP B 48 -1.217 -13.467 -17.135 1.00 31.43 O ATOM 2313 CB ASP B 48 -0.371 -15.123 -14.328 1.00 40.40 C ATOM 2314 CG ASP B 48 -1.264 -16.149 -15.053 1.00 70.04 C ATOM 2315 OD1 ASP B 48 -2.488 -15.916 -15.184 1.00 3.15 O ATOM 2316 OD2 ASP B 48 -0.750 -17.203 -15.478 1.00 51.40 O ATOM 0 H ASP B 48 1.102 -13.380 -13.470 1.00 74.24 H new ATOM 0 HA ASP B 48 0.812 -14.514 -16.049 1.00 30.13 H new ATOM 0 HB2 ASP B 48 0.444 -15.651 -13.833 1.00 40.40 H new ATOM 0 HB3 ASP B 48 -0.955 -14.635 -13.547 1.00 40.40 H new ATOM 2321 N SER B 49 -1.452 -12.279 -15.218 1.00 21.24 N ATOM 2322 CA SER B 49 -2.526 -11.376 -15.664 1.00 73.22 C ATOM 2323 C SER B 49 -2.379 -10.033 -14.925 1.00 74.21 C ATOM 2324 O SER B 49 -1.752 -9.991 -13.860 1.00 52.14 O ATOM 2325 CB SER B 49 -3.909 -12.007 -15.376 1.00 53.12 C ATOM 2326 OG SER B 49 -4.070 -13.250 -16.043 1.00 50.34 O ATOM 0 H SER B 49 -1.162 -12.103 -14.256 1.00 21.24 H new ATOM 0 HA SER B 49 -2.450 -11.211 -16.739 1.00 73.22 H new ATOM 0 HB2 SER B 49 -4.026 -12.153 -14.302 1.00 53.12 H new ATOM 0 HB3 SER B 49 -4.695 -11.321 -15.692 1.00 53.12 H new ATOM 0 HG SER B 49 -3.496 -13.924 -15.622 1.00 50.34 H new ATOM 2332 N ASP B 50 -2.955 -8.947 -15.485 1.00 34.11 N ATOM 2333 CA ASP B 50 -2.856 -7.588 -14.902 1.00 54.24 C ATOM 2334 C ASP B 50 -3.652 -7.493 -13.573 1.00 72.42 C ATOM 2335 O ASP B 50 -4.786 -7.031 -13.528 1.00 64.13 O ATOM 2336 CB ASP B 50 -3.305 -6.498 -15.937 1.00 5.52 C ATOM 2337 CG ASP B 50 -4.747 -6.680 -16.461 1.00 54.03 C ATOM 2338 OD1 ASP B 50 -4.996 -7.641 -17.214 1.00 44.10 O ATOM 2339 OD2 ASP B 50 -5.644 -5.904 -16.083 1.00 74.33 O ATOM 0 H ASP B 50 -3.498 -8.985 -16.348 1.00 34.11 H new ATOM 0 HA ASP B 50 -1.810 -7.394 -14.664 1.00 54.24 H new ATOM 0 HB2 ASP B 50 -3.220 -5.515 -15.473 1.00 5.52 H new ATOM 0 HB3 ASP B 50 -2.618 -6.511 -16.783 1.00 5.52 H new ATOM 2344 N LYS B 51 -3.039 -7.998 -12.496 1.00 62.42 N ATOM 2345 CA LYS B 51 -3.623 -8.054 -11.142 1.00 33.35 C ATOM 2346 C LYS B 51 -2.519 -7.831 -10.101 1.00 32.42 C ATOM 2347 O LYS B 51 -1.326 -7.860 -10.422 1.00 41.30 O ATOM 2348 CB LYS B 51 -4.344 -9.417 -10.880 1.00 11.34 C ATOM 2349 CG LYS B 51 -5.649 -9.633 -11.687 1.00 63.44 C ATOM 2350 CD LYS B 51 -6.305 -11.010 -11.420 1.00 2.23 C ATOM 2351 CE LYS B 51 -5.420 -12.188 -11.869 1.00 31.11 C ATOM 2352 NZ LYS B 51 -6.042 -13.503 -11.558 1.00 41.32 N ATOM 0 H LYS B 51 -2.098 -8.390 -12.539 1.00 62.42 H new ATOM 0 HA LYS B 51 -4.372 -7.266 -11.060 1.00 33.35 H new ATOM 0 HB2 LYS B 51 -3.653 -10.227 -11.112 1.00 11.34 H new ATOM 0 HB3 LYS B 51 -4.575 -9.490 -9.817 1.00 11.34 H new ATOM 0 HG2 LYS B 51 -6.359 -8.844 -11.437 1.00 63.44 H new ATOM 0 HG3 LYS B 51 -5.431 -9.541 -12.751 1.00 63.44 H new ATOM 0 HD2 LYS B 51 -6.518 -11.106 -10.355 1.00 2.23 H new ATOM 0 HD3 LYS B 51 -7.261 -11.060 -11.942 1.00 2.23 H new ATOM 0 HE2 LYS B 51 -5.239 -12.117 -12.942 1.00 31.11 H new ATOM 0 HE3 LYS B 51 -4.450 -12.121 -11.377 1.00 31.11 H new ATOM 0 HZ1 LYS B 51 -5.414 -14.268 -11.877 1.00 41.32 H new ATOM 0 HZ2 LYS B 51 -6.191 -13.582 -10.532 1.00 41.32 H new ATOM 0 HZ3 LYS B 51 -6.956 -13.579 -12.048 1.00 41.32 H new ATOM 2366 N SER B 52 -2.954 -7.604 -8.859 1.00 24.23 N ATOM 2367 CA SER B 52 -2.087 -7.459 -7.696 1.00 32.33 C ATOM 2368 C SER B 52 -2.911 -7.772 -6.439 1.00 41.45 C ATOM 2369 O SER B 52 -4.037 -7.278 -6.296 1.00 73.23 O ATOM 2370 CB SER B 52 -1.496 -6.034 -7.618 1.00 44.44 C ATOM 2371 OG SER B 52 -0.546 -5.938 -6.571 1.00 14.40 O ATOM 0 H SER B 52 -3.945 -7.514 -8.633 1.00 24.23 H new ATOM 0 HA SER B 52 -1.249 -8.152 -7.776 1.00 32.33 H new ATOM 0 HB2 SER B 52 -1.024 -5.779 -8.567 1.00 44.44 H new ATOM 0 HB3 SER B 52 -2.296 -5.312 -7.456 1.00 44.44 H new ATOM 0 HG SER B 52 -0.904 -5.372 -5.856 1.00 14.40 H new ATOM 2377 N HIS B 53 -2.371 -8.620 -5.545 1.00 20.41 N ATOM 2378 CA HIS B 53 -3.013 -8.904 -4.251 1.00 44.13 C ATOM 2379 C HIS B 53 -2.394 -8.003 -3.178 1.00 22.35 C ATOM 2380 O HIS B 53 -1.176 -7.911 -3.083 1.00 34.34 O ATOM 2381 CB HIS B 53 -2.870 -10.390 -3.832 1.00 53.13 C ATOM 2382 CG HIS B 53 -3.480 -11.396 -4.772 1.00 70.04 C ATOM 2383 ND1 HIS B 53 -4.827 -11.466 -5.037 1.00 4.23 N ATOM 2384 CD2 HIS B 53 -2.912 -12.384 -5.509 1.00 34.41 C ATOM 2385 CE1 HIS B 53 -5.054 -12.446 -5.889 1.00 2.23 C ATOM 2386 NE2 HIS B 53 -3.916 -13.015 -6.187 1.00 32.22 N ATOM 0 H HIS B 53 -1.494 -9.119 -5.695 1.00 20.41 H new ATOM 0 HA HIS B 53 -4.079 -8.701 -4.356 1.00 44.13 H new ATOM 0 HB2 HIS B 53 -1.809 -10.617 -3.724 1.00 53.13 H new ATOM 0 HB3 HIS B 53 -3.324 -10.516 -2.849 1.00 53.13 H new ATOM 0 HD2 HIS B 53 -1.860 -12.627 -5.552 1.00 34.41 H new ATOM 0 HE1 HIS B 53 -6.021 -12.731 -6.277 1.00 2.23 H new ATOM 0 HE2 HIS B 53 -3.797 -13.803 -6.823 1.00 32.22 H new ATOM 2395 N ILE B 54 -3.240 -7.321 -2.388 1.00 2.20 N ATOM 2396 CA ILE B 54 -2.792 -6.477 -1.270 1.00 32.10 C ATOM 2397 C ILE B 54 -3.063 -7.228 0.046 1.00 54.40 C ATOM 2398 O ILE B 54 -4.205 -7.569 0.316 1.00 63.41 O ATOM 2399 CB ILE B 54 -3.506 -5.053 -1.259 1.00 40.34 C ATOM 2400 CG1 ILE B 54 -3.047 -4.144 -2.457 1.00 72.32 C ATOM 2401 CG2 ILE B 54 -3.253 -4.310 0.079 1.00 41.30 C ATOM 2402 CD1 ILE B 54 -3.470 -4.604 -3.840 1.00 21.13 C ATOM 0 H ILE B 54 -4.253 -7.340 -2.507 1.00 2.20 H new ATOM 0 HA ILE B 54 -1.726 -6.284 -1.387 1.00 32.10 H new ATOM 0 HB ILE B 54 -4.573 -5.246 -1.370 1.00 40.34 H new ATOM 0 HG12 ILE B 54 -3.437 -3.139 -2.295 1.00 72.32 H new ATOM 0 HG13 ILE B 54 -1.960 -4.071 -2.436 1.00 72.32 H new ATOM 0 HG21 ILE B 54 -3.752 -3.341 0.057 1.00 41.30 H new ATOM 0 HG22 ILE B 54 -3.647 -4.903 0.905 1.00 41.30 H new ATOM 0 HG23 ILE B 54 -2.182 -4.163 0.217 1.00 41.30 H new ATOM 0 HD11 ILE B 54 -3.098 -3.902 -4.586 1.00 21.13 H new ATOM 0 HD12 ILE B 54 -3.058 -5.594 -4.036 1.00 21.13 H new ATOM 0 HD13 ILE B 54 -4.558 -4.647 -3.892 1.00 21.13 H new ATOM 2414 N TRP B 55 -2.005 -7.512 0.833 1.00 21.14 N ATOM 2415 CA TRP B 55 -2.137 -8.037 2.203 1.00 34.25 C ATOM 2416 C TRP B 55 -2.249 -6.840 3.157 1.00 10.40 C ATOM 2417 O TRP B 55 -1.246 -6.238 3.548 1.00 75.44 O ATOM 2418 CB TRP B 55 -0.925 -8.951 2.568 1.00 75.22 C ATOM 2419 CG TRP B 55 -0.979 -10.331 1.928 1.00 31.12 C ATOM 2420 CD1 TRP B 55 -1.314 -11.507 2.534 1.00 50.25 C ATOM 2421 CD2 TRP B 55 -0.693 -10.674 0.565 1.00 74.23 C ATOM 2422 NE1 TRP B 55 -1.284 -12.540 1.636 1.00 40.11 N ATOM 2423 CE2 TRP B 55 -0.902 -12.060 0.423 1.00 11.32 C ATOM 2424 CE3 TRP B 55 -0.292 -9.950 -0.540 1.00 41.11 C ATOM 2425 CZ2 TRP B 55 -0.721 -12.727 -0.784 1.00 65.11 C ATOM 2426 CZ3 TRP B 55 -0.108 -10.609 -1.730 1.00 1.25 C ATOM 2427 CH2 TRP B 55 -0.322 -11.985 -1.852 1.00 72.34 C ATOM 0 H TRP B 55 -1.038 -7.383 0.535 1.00 21.14 H new ATOM 0 HA TRP B 55 -3.029 -8.657 2.287 1.00 34.25 H new ATOM 0 HB2 TRP B 55 -0.004 -8.455 2.262 1.00 75.22 H new ATOM 0 HB3 TRP B 55 -0.882 -9.065 3.651 1.00 75.22 H new ATOM 0 HD1 TRP B 55 -1.568 -11.609 3.579 1.00 50.25 H new ATOM 0 HE1 TRP B 55 -1.511 -13.512 1.844 1.00 40.11 H new ATOM 0 HE3 TRP B 55 -0.126 -8.885 -0.469 1.00 41.11 H new ATOM 0 HZ2 TRP B 55 -0.890 -13.790 -0.870 1.00 65.11 H new ATOM 0 HZ3 TRP B 55 0.211 -10.049 -2.596 1.00 1.25 H new ATOM 0 HH2 TRP B 55 -0.168 -12.465 -2.807 1.00 72.34 H new ATOM 2438 N LEU B 56 -3.494 -6.466 3.459 1.00 22.24 N ATOM 2439 CA LEU B 56 -3.820 -5.303 4.290 1.00 14.22 C ATOM 2440 C LEU B 56 -3.999 -5.783 5.750 1.00 34.00 C ATOM 2441 O LEU B 56 -4.997 -6.418 6.087 1.00 34.33 O ATOM 2442 CB LEU B 56 -5.115 -4.627 3.729 1.00 12.51 C ATOM 2443 CG LEU B 56 -5.405 -3.127 4.105 1.00 22.04 C ATOM 2444 CD1 LEU B 56 -5.650 -2.904 5.616 1.00 54.33 C ATOM 2445 CD2 LEU B 56 -4.302 -2.190 3.570 1.00 35.21 C ATOM 0 H LEU B 56 -4.317 -6.970 3.129 1.00 22.24 H new ATOM 0 HA LEU B 56 -3.023 -4.560 4.270 1.00 14.22 H new ATOM 0 HB2 LEU B 56 -5.079 -4.695 2.642 1.00 12.51 H new ATOM 0 HB3 LEU B 56 -5.968 -5.221 4.058 1.00 12.51 H new ATOM 0 HG LEU B 56 -6.342 -2.872 3.610 1.00 22.04 H new ATOM 0 HD11 LEU B 56 -5.843 -1.847 5.801 1.00 54.33 H new ATOM 0 HD12 LEU B 56 -6.511 -3.492 5.936 1.00 54.33 H new ATOM 0 HD13 LEU B 56 -4.769 -3.216 6.177 1.00 54.33 H new ATOM 0 HD21 LEU B 56 -4.533 -1.161 3.847 1.00 35.21 H new ATOM 0 HD22 LEU B 56 -3.342 -2.475 4.000 1.00 35.21 H new ATOM 0 HD23 LEU B 56 -4.251 -2.271 2.484 1.00 35.21 H new ATOM 2457 N LEU B 57 -3.018 -5.477 6.601 1.00 2.34 N ATOM 2458 CA LEU B 57 -3.026 -5.836 8.030 1.00 32.02 C ATOM 2459 C LEU B 57 -3.700 -4.708 8.821 1.00 71.42 C ATOM 2460 O LEU B 57 -3.210 -3.575 8.821 1.00 70.20 O ATOM 2461 CB LEU B 57 -1.573 -6.080 8.546 1.00 44.13 C ATOM 2462 CG LEU B 57 -0.939 -7.485 8.261 1.00 43.34 C ATOM 2463 CD1 LEU B 57 -0.939 -7.849 6.759 1.00 23.24 C ATOM 2464 CD2 LEU B 57 0.484 -7.563 8.857 1.00 60.01 C ATOM 0 H LEU B 57 -2.182 -4.966 6.318 1.00 2.34 H new ATOM 0 HA LEU B 57 -3.585 -6.762 8.169 1.00 32.02 H new ATOM 0 HB2 LEU B 57 -0.926 -5.322 8.105 1.00 44.13 H new ATOM 0 HB3 LEU B 57 -1.565 -5.918 9.624 1.00 44.13 H new ATOM 0 HG LEU B 57 -1.568 -8.227 8.753 1.00 43.34 H new ATOM 0 HD11 LEU B 57 -0.488 -8.832 6.623 1.00 23.24 H new ATOM 0 HD12 LEU B 57 -1.964 -7.865 6.389 1.00 23.24 H new ATOM 0 HD13 LEU B 57 -0.365 -7.107 6.205 1.00 23.24 H new ATOM 0 HD21 LEU B 57 0.911 -8.544 8.651 1.00 60.01 H new ATOM 0 HD22 LEU B 57 1.110 -6.793 8.406 1.00 60.01 H new ATOM 0 HD23 LEU B 57 0.436 -7.407 9.935 1.00 60.01 H new ATOM 2476 N VAL B 58 -4.855 -5.018 9.413 1.00 10.01 N ATOM 2477 CA VAL B 58 -5.621 -4.092 10.276 1.00 51.43 C ATOM 2478 C VAL B 58 -6.449 -4.924 11.261 1.00 40.42 C ATOM 2479 O VAL B 58 -6.794 -6.048 10.935 1.00 60.25 O ATOM 2480 CB VAL B 58 -6.561 -3.163 9.409 1.00 53.23 C ATOM 2481 CG1 VAL B 58 -7.726 -3.940 8.752 1.00 1.43 C ATOM 2482 CG2 VAL B 58 -7.072 -1.955 10.218 1.00 75.42 C ATOM 0 H VAL B 58 -5.298 -5.931 9.310 1.00 10.01 H new ATOM 0 HA VAL B 58 -4.933 -3.445 10.821 1.00 51.43 H new ATOM 0 HB VAL B 58 -5.946 -2.779 8.595 1.00 53.23 H new ATOM 0 HG11 VAL B 58 -8.339 -3.252 8.169 1.00 1.43 H new ATOM 0 HG12 VAL B 58 -7.324 -4.713 8.097 1.00 1.43 H new ATOM 0 HG13 VAL B 58 -8.337 -4.403 9.527 1.00 1.43 H new ATOM 0 HG21 VAL B 58 -7.715 -1.340 9.588 1.00 75.42 H new ATOM 0 HG22 VAL B 58 -7.639 -2.308 11.080 1.00 75.42 H new ATOM 0 HG23 VAL B 58 -6.224 -1.361 10.560 1.00 75.42 H new ATOM 2492 N ASN B 59 -6.757 -4.415 12.463 1.00 52.52 N ATOM 2493 CA ASN B 59 -7.749 -5.097 13.332 1.00 61.14 C ATOM 2494 C ASN B 59 -9.154 -4.990 12.706 1.00 12.14 C ATOM 2495 O ASN B 59 -9.573 -3.907 12.296 1.00 62.24 O ATOM 2496 CB ASN B 59 -7.742 -4.565 14.792 1.00 51.13 C ATOM 2497 CG ASN B 59 -7.835 -3.045 14.906 1.00 32.11 C ATOM 2498 OD1 ASN B 59 -8.885 -2.436 14.674 1.00 51.05 O ATOM 2499 ND2 ASN B 59 -6.742 -2.422 15.296 1.00 62.52 N ATOM 0 H ASN B 59 -6.354 -3.563 12.853 1.00 52.52 H new ATOM 0 HA ASN B 59 -7.462 -6.147 13.394 1.00 61.14 H new ATOM 0 HB2 ASN B 59 -8.577 -5.010 15.333 1.00 51.13 H new ATOM 0 HB3 ASN B 59 -6.829 -4.900 15.284 1.00 51.13 H new ATOM 0 HD21 ASN B 59 -6.747 -1.409 15.414 1.00 62.52 H new ATOM 0 HD22 ASN B 59 -5.891 -2.953 15.480 1.00 62.52 H new ATOM 2506 N ASP B 60 -9.846 -6.134 12.571 1.00 75.23 N ATOM 2507 CA ASP B 60 -11.223 -6.194 12.041 1.00 14.11 C ATOM 2508 C ASP B 60 -12.208 -5.499 12.988 1.00 52.54 C ATOM 2509 O ASP B 60 -11.997 -5.431 14.208 1.00 4.21 O ATOM 2510 CB ASP B 60 -11.658 -7.662 11.786 1.00 64.01 C ATOM 2511 CG ASP B 60 -13.040 -7.816 11.094 1.00 32.55 C ATOM 2512 OD1 ASP B 60 -13.112 -7.687 9.846 1.00 25.03 O ATOM 2513 OD2 ASP B 60 -14.048 -8.107 11.789 1.00 1.24 O ATOM 0 H ASP B 60 -9.467 -7.046 12.826 1.00 75.23 H new ATOM 0 HA ASP B 60 -11.234 -5.664 11.088 1.00 14.11 H new ATOM 0 HB2 ASP B 60 -10.902 -8.149 11.171 1.00 64.01 H new ATOM 0 HB3 ASP B 60 -11.683 -8.191 12.739 1.00 64.01 H new ATOM 2518 N ASP B 61 -13.282 -5.003 12.394 1.00 70.33 N ATOM 2519 CA ASP B 61 -14.328 -4.252 13.074 1.00 3.44 C ATOM 2520 C ASP B 61 -15.661 -4.689 12.453 1.00 14.12 C ATOM 2521 O ASP B 61 -15.693 -5.085 11.283 1.00 71.30 O ATOM 2522 CB ASP B 61 -14.074 -2.726 12.863 1.00 33.34 C ATOM 2523 CG ASP B 61 -14.826 -1.781 13.820 1.00 53.53 C ATOM 2524 OD1 ASP B 61 -16.051 -1.917 13.976 1.00 12.32 O ATOM 2525 OD2 ASP B 61 -14.178 -0.892 14.434 1.00 44.20 O ATOM 0 H ASP B 61 -13.456 -5.115 11.395 1.00 70.33 H new ATOM 0 HA ASP B 61 -14.341 -4.440 14.148 1.00 3.44 H new ATOM 0 HB2 ASP B 61 -13.005 -2.538 12.963 1.00 33.34 H new ATOM 0 HB3 ASP B 61 -14.348 -2.470 11.840 1.00 33.34 H new ATOM 2530 N GLN B 62 -16.749 -4.583 13.220 1.00 71.32 N ATOM 2531 CA GLN B 62 -18.116 -4.841 12.721 1.00 11.43 C ATOM 2532 C GLN B 62 -18.464 -3.863 11.574 1.00 45.04 C ATOM 2533 O GLN B 62 -19.181 -4.206 10.629 1.00 23.10 O ATOM 2534 CB GLN B 62 -19.125 -4.722 13.890 1.00 32.30 C ATOM 2535 CG GLN B 62 -18.838 -5.687 15.060 1.00 63.44 C ATOM 2536 CD GLN B 62 -19.735 -5.480 16.285 1.00 23.13 C ATOM 2537 OE1 GLN B 62 -20.885 -5.051 16.180 1.00 4.50 O ATOM 2538 NE2 GLN B 62 -19.214 -5.793 17.464 1.00 22.53 N ATOM 0 H GLN B 62 -16.715 -4.317 14.204 1.00 71.32 H new ATOM 0 HA GLN B 62 -18.172 -5.853 12.319 1.00 11.43 H new ATOM 0 HB2 GLN B 62 -19.114 -3.698 14.264 1.00 32.30 H new ATOM 0 HB3 GLN B 62 -20.129 -4.913 13.512 1.00 32.30 H new ATOM 0 HG2 GLN B 62 -18.956 -6.712 14.707 1.00 63.44 H new ATOM 0 HG3 GLN B 62 -17.797 -5.572 15.363 1.00 63.44 H new ATOM 0 HE21 GLN B 62 -18.259 -6.146 17.522 1.00 22.53 H new ATOM 0 HE22 GLN B 62 -19.769 -5.680 18.313 1.00 22.53 H new ATOM 2547 N ARG B 63 -17.901 -2.649 11.680 1.00 41.13 N ATOM 2548 CA ARG B 63 -18.016 -1.592 10.670 1.00 33.14 C ATOM 2549 C ARG B 63 -17.032 -1.828 9.503 1.00 62.33 C ATOM 2550 O ARG B 63 -17.312 -1.428 8.367 1.00 50.10 O ATOM 2551 CB ARG B 63 -17.776 -0.224 11.350 1.00 72.34 C ATOM 2552 CG ARG B 63 -18.030 1.014 10.459 1.00 14.02 C ATOM 2553 CD ARG B 63 -18.097 2.316 11.278 1.00 64.14 C ATOM 2554 NE ARG B 63 -19.207 2.296 12.253 1.00 33.45 N ATOM 2555 CZ ARG B 63 -19.407 3.196 13.229 1.00 12.24 C ATOM 2556 NH1 ARG B 63 -18.583 4.230 13.396 1.00 31.21 N ATOM 2557 NH2 ARG B 63 -20.442 3.056 14.047 1.00 71.03 N ATOM 0 H ARG B 63 -17.343 -2.372 12.487 1.00 41.13 H new ATOM 0 HA ARG B 63 -19.018 -1.605 10.241 1.00 33.14 H new ATOM 0 HB2 ARG B 63 -18.418 -0.156 12.228 1.00 72.34 H new ATOM 0 HB3 ARG B 63 -16.746 -0.190 11.705 1.00 72.34 H new ATOM 0 HG2 ARG B 63 -17.236 1.094 9.717 1.00 14.02 H new ATOM 0 HG3 ARG B 63 -18.964 0.881 9.913 1.00 14.02 H new ATOM 0 HD2 ARG B 63 -17.154 2.463 11.804 1.00 64.14 H new ATOM 0 HD3 ARG B 63 -18.221 3.163 10.604 1.00 64.14 H new ATOM 0 HE ARG B 63 -19.879 1.533 12.178 1.00 33.45 H new ATOM 0 HH11 ARG B 63 -17.782 4.349 12.776 1.00 31.21 H new ATOM 0 HH12 ARG B 63 -18.753 4.902 14.144 1.00 31.21 H new ATOM 0 HH21 ARG B 63 -21.080 2.268 13.932 1.00 71.03 H new ATOM 0 HH22 ARG B 63 -20.600 3.736 14.791 1.00 71.03 H new ATOM 2571 N LEU B 64 -15.877 -2.489 9.787 1.00 32.40 N ATOM 2572 CA LEU B 64 -14.884 -2.843 8.739 1.00 12.41 C ATOM 2573 C LEU B 64 -15.488 -3.857 7.757 1.00 34.53 C ATOM 2574 O LEU B 64 -15.223 -3.785 6.570 1.00 35.10 O ATOM 2575 CB LEU B 64 -13.577 -3.445 9.333 1.00 42.11 C ATOM 2576 CG LEU B 64 -12.367 -3.600 8.327 1.00 3.10 C ATOM 2577 CD1 LEU B 64 -11.539 -2.307 8.219 1.00 62.50 C ATOM 2578 CD2 LEU B 64 -11.453 -4.786 8.679 1.00 2.35 C ATOM 0 H LEU B 64 -15.613 -2.785 10.727 1.00 32.40 H new ATOM 0 HA LEU B 64 -14.630 -1.915 8.226 1.00 12.41 H new ATOM 0 HB2 LEU B 64 -13.255 -2.816 10.163 1.00 42.11 H new ATOM 0 HB3 LEU B 64 -13.808 -4.427 9.747 1.00 42.11 H new ATOM 0 HG LEU B 64 -12.816 -3.804 7.355 1.00 3.10 H new ATOM 0 HD11 LEU B 64 -10.718 -2.458 7.518 1.00 62.50 H new ATOM 0 HD12 LEU B 64 -12.175 -1.496 7.864 1.00 62.50 H new ATOM 0 HD13 LEU B 64 -11.136 -2.050 9.199 1.00 62.50 H new ATOM 0 HD21 LEU B 64 -10.639 -4.845 7.956 1.00 2.35 H new ATOM 0 HD22 LEU B 64 -11.041 -4.644 9.678 1.00 2.35 H new ATOM 0 HD23 LEU B 64 -12.030 -5.710 8.653 1.00 2.35 H new ATOM 2590 N GLU B 65 -16.312 -4.791 8.293 1.00 62.01 N ATOM 2591 CA GLU B 65 -17.037 -5.801 7.488 1.00 13.15 C ATOM 2592 C GLU B 65 -17.910 -5.122 6.413 1.00 31.23 C ATOM 2593 O GLU B 65 -17.854 -5.483 5.238 1.00 32.53 O ATOM 2594 CB GLU B 65 -17.935 -6.679 8.400 1.00 33.54 C ATOM 2595 CG GLU B 65 -17.200 -7.429 9.524 1.00 43.24 C ATOM 2596 CD GLU B 65 -18.152 -8.293 10.365 1.00 22.40 C ATOM 2597 OE1 GLU B 65 -18.798 -7.758 11.286 1.00 4.12 O ATOM 2598 OE2 GLU B 65 -18.293 -9.502 10.081 1.00 23.21 O ATOM 0 H GLU B 65 -16.491 -4.864 9.294 1.00 62.01 H new ATOM 0 HA GLU B 65 -16.295 -6.431 6.997 1.00 13.15 H new ATOM 0 HB2 GLU B 65 -18.699 -6.044 8.849 1.00 33.54 H new ATOM 0 HB3 GLU B 65 -18.453 -7.409 7.777 1.00 33.54 H new ATOM 0 HG2 GLU B 65 -16.426 -8.062 9.090 1.00 43.24 H new ATOM 0 HG3 GLU B 65 -16.698 -6.709 10.171 1.00 43.24 H new ATOM 2605 N GLN B 66 -18.681 -4.112 6.858 1.00 20.22 N ATOM 2606 CA GLN B 66 -19.545 -3.285 5.991 1.00 72.35 C ATOM 2607 C GLN B 66 -18.709 -2.527 4.940 1.00 64.05 C ATOM 2608 O GLN B 66 -19.094 -2.428 3.771 1.00 11.32 O ATOM 2609 CB GLN B 66 -20.336 -2.280 6.873 1.00 70.15 C ATOM 2610 CG GLN B 66 -21.258 -1.320 6.094 1.00 64.54 C ATOM 2611 CD GLN B 66 -21.842 -0.222 6.974 1.00 70.04 C ATOM 2612 OE1 GLN B 66 -22.914 -0.379 7.564 1.00 54.53 O ATOM 2613 NE2 GLN B 66 -21.128 0.885 7.092 1.00 4.23 N ATOM 0 H GLN B 66 -18.723 -3.843 7.841 1.00 20.22 H new ATOM 0 HA GLN B 66 -20.240 -3.935 5.459 1.00 72.35 H new ATOM 0 HB2 GLN B 66 -20.939 -2.841 7.586 1.00 70.15 H new ATOM 0 HB3 GLN B 66 -19.626 -1.689 7.452 1.00 70.15 H new ATOM 0 HG2 GLN B 66 -20.696 -0.866 5.278 1.00 64.54 H new ATOM 0 HG3 GLN B 66 -22.071 -1.889 5.643 1.00 64.54 H new ATOM 0 HE21 GLN B 66 -20.246 0.979 6.589 1.00 4.23 H new ATOM 0 HE22 GLN B 66 -21.459 1.645 7.686 1.00 4.23 H new ATOM 2622 N MET B 67 -17.548 -2.029 5.389 1.00 41.43 N ATOM 2623 CA MET B 67 -16.617 -1.240 4.568 1.00 43.10 C ATOM 2624 C MET B 67 -16.010 -2.113 3.437 1.00 62.53 C ATOM 2625 O MET B 67 -15.874 -1.669 2.284 1.00 70.31 O ATOM 2626 CB MET B 67 -15.509 -0.669 5.491 1.00 51.24 C ATOM 2627 CG MET B 67 -14.651 0.423 4.860 1.00 11.14 C ATOM 2628 SD MET B 67 -15.578 1.928 4.488 1.00 62.41 S ATOM 2629 CE MET B 67 -16.025 2.498 6.118 1.00 34.30 C ATOM 0 H MET B 67 -17.224 -2.165 6.347 1.00 41.43 H new ATOM 0 HA MET B 67 -17.149 -0.417 4.090 1.00 43.10 H new ATOM 0 HB2 MET B 67 -15.976 -0.270 6.392 1.00 51.24 H new ATOM 0 HB3 MET B 67 -14.859 -1.486 5.804 1.00 51.24 H new ATOM 0 HG2 MET B 67 -13.830 0.667 5.534 1.00 11.14 H new ATOM 0 HG3 MET B 67 -14.206 0.041 3.941 1.00 11.14 H new ATOM 0 HE1 MET B 67 -16.326 3.545 6.068 1.00 34.30 H new ATOM 0 HE2 MET B 67 -16.854 1.900 6.498 1.00 34.30 H new ATOM 0 HE3 MET B 67 -15.169 2.398 6.786 1.00 34.30 H new ATOM 2639 N ILE B 68 -15.693 -3.375 3.801 1.00 13.03 N ATOM 2640 CA ILE B 68 -15.190 -4.421 2.888 1.00 70.35 C ATOM 2641 C ILE B 68 -16.281 -4.783 1.858 1.00 61.33 C ATOM 2642 O ILE B 68 -15.997 -4.948 0.668 1.00 40.53 O ATOM 2643 CB ILE B 68 -14.749 -5.703 3.718 1.00 64.31 C ATOM 2644 CG1 ILE B 68 -13.475 -5.402 4.573 1.00 61.42 C ATOM 2645 CG2 ILE B 68 -14.527 -6.947 2.823 1.00 64.33 C ATOM 2646 CD1 ILE B 68 -13.103 -6.501 5.556 1.00 45.43 C ATOM 0 H ILE B 68 -15.783 -3.701 4.763 1.00 13.03 H new ATOM 0 HA ILE B 68 -14.318 -4.044 2.353 1.00 70.35 H new ATOM 0 HB ILE B 68 -15.575 -5.940 4.389 1.00 64.31 H new ATOM 0 HG12 ILE B 68 -12.634 -5.232 3.901 1.00 61.42 H new ATOM 0 HG13 ILE B 68 -13.634 -4.476 5.125 1.00 61.42 H new ATOM 0 HG21 ILE B 68 -14.227 -7.792 3.443 1.00 64.33 H new ATOM 0 HG22 ILE B 68 -15.453 -7.190 2.301 1.00 64.33 H new ATOM 0 HG23 ILE B 68 -13.744 -6.736 2.094 1.00 64.33 H new ATOM 0 HD11 ILE B 68 -12.209 -6.209 6.107 1.00 45.43 H new ATOM 0 HD12 ILE B 68 -13.925 -6.657 6.255 1.00 45.43 H new ATOM 0 HD13 ILE B 68 -12.909 -7.425 5.012 1.00 45.43 H new ATOM 2658 N SER B 69 -17.533 -4.859 2.343 1.00 75.44 N ATOM 2659 CA SER B 69 -18.704 -5.214 1.528 1.00 51.54 C ATOM 2660 C SER B 69 -19.049 -4.116 0.504 1.00 31.54 C ATOM 2661 O SER B 69 -19.591 -4.411 -0.564 1.00 32.23 O ATOM 2662 CB SER B 69 -19.911 -5.493 2.445 1.00 15.44 C ATOM 2663 OG SER B 69 -19.629 -6.551 3.346 1.00 51.24 O ATOM 0 H SER B 69 -17.760 -4.674 3.320 1.00 75.44 H new ATOM 0 HA SER B 69 -18.459 -6.114 0.964 1.00 51.54 H new ATOM 0 HB2 SER B 69 -20.164 -4.592 3.004 1.00 15.44 H new ATOM 0 HB3 SER B 69 -20.781 -5.748 1.840 1.00 15.44 H new ATOM 0 HG SER B 69 -19.020 -6.232 4.044 1.00 51.24 H new ATOM 2669 N GLN B 70 -18.721 -2.851 0.840 1.00 2.40 N ATOM 2670 CA GLN B 70 -19.025 -1.693 -0.005 1.00 5.25 C ATOM 2671 C GLN B 70 -18.056 -1.680 -1.193 1.00 22.45 C ATOM 2672 O GLN B 70 -18.478 -1.620 -2.353 1.00 51.15 O ATOM 2673 CB GLN B 70 -18.929 -0.393 0.861 1.00 52.24 C ATOM 2674 CG GLN B 70 -19.297 0.946 0.155 1.00 72.21 C ATOM 2675 CD GLN B 70 -18.201 1.527 -0.747 1.00 63.13 C ATOM 2676 OE1 GLN B 70 -18.474 2.174 -1.760 1.00 33.40 O ATOM 2677 NE2 GLN B 70 -16.943 1.326 -0.369 1.00 61.11 N ATOM 0 H GLN B 70 -18.238 -2.611 1.706 1.00 2.40 H new ATOM 0 HA GLN B 70 -20.038 -1.748 -0.404 1.00 5.25 H new ATOM 0 HB2 GLN B 70 -19.581 -0.512 1.727 1.00 52.24 H new ATOM 0 HB3 GLN B 70 -17.910 -0.310 1.238 1.00 52.24 H new ATOM 0 HG2 GLN B 70 -20.194 0.789 -0.444 1.00 72.21 H new ATOM 0 HG3 GLN B 70 -19.548 1.684 0.917 1.00 72.21 H new ATOM 0 HE21 GLN B 70 -16.744 0.787 0.474 1.00 61.11 H new ATOM 0 HE22 GLN B 70 -16.177 1.711 -0.921 1.00 61.11 H new ATOM 2686 N ILE B 71 -16.749 -1.773 -0.877 1.00 23.13 N ATOM 2687 CA ILE B 71 -15.668 -1.689 -1.874 1.00 11.23 C ATOM 2688 C ILE B 71 -15.645 -2.929 -2.806 1.00 60.51 C ATOM 2689 O ILE B 71 -15.239 -2.838 -3.971 1.00 61.14 O ATOM 2690 CB ILE B 71 -14.275 -1.489 -1.177 1.00 52.32 C ATOM 2691 CG1 ILE B 71 -13.182 -1.181 -2.236 1.00 10.55 C ATOM 2692 CG2 ILE B 71 -13.887 -2.694 -0.285 1.00 20.13 C ATOM 2693 CD1 ILE B 71 -11.783 -1.095 -1.694 1.00 33.11 C ATOM 0 H ILE B 71 -16.415 -1.908 0.077 1.00 23.13 H new ATOM 0 HA ILE B 71 -15.869 -0.817 -2.496 1.00 11.23 H new ATOM 0 HB ILE B 71 -14.357 -0.631 -0.510 1.00 52.32 H new ATOM 0 HG12 ILE B 71 -13.212 -1.954 -3.003 1.00 10.55 H new ATOM 0 HG13 ILE B 71 -13.426 -0.238 -2.725 1.00 10.55 H new ATOM 0 HG21 ILE B 71 -12.916 -2.509 0.175 1.00 20.13 H new ATOM 0 HG22 ILE B 71 -14.638 -2.827 0.494 1.00 20.13 H new ATOM 0 HG23 ILE B 71 -13.833 -3.596 -0.895 1.00 20.13 H new ATOM 0 HD11 ILE B 71 -11.091 -0.877 -2.507 1.00 33.11 H new ATOM 0 HD12 ILE B 71 -11.730 -0.301 -0.949 1.00 33.11 H new ATOM 0 HD13 ILE B 71 -11.513 -2.045 -1.232 1.00 33.11 H new ATOM 2705 N ASP B 72 -16.107 -4.071 -2.262 1.00 22.42 N ATOM 2706 CA ASP B 72 -16.264 -5.344 -2.996 1.00 31.34 C ATOM 2707 C ASP B 72 -17.123 -5.175 -4.262 1.00 52.22 C ATOM 2708 O ASP B 72 -16.876 -5.814 -5.290 1.00 72.20 O ATOM 2709 CB ASP B 72 -16.911 -6.383 -2.041 1.00 23.24 C ATOM 2710 CG ASP B 72 -17.474 -7.637 -2.741 1.00 3.50 C ATOM 2711 OD1 ASP B 72 -16.683 -8.496 -3.166 1.00 54.22 O ATOM 2712 OD2 ASP B 72 -18.712 -7.770 -2.861 1.00 60.14 O ATOM 0 H ASP B 72 -16.387 -4.137 -1.283 1.00 22.42 H new ATOM 0 HA ASP B 72 -15.282 -5.685 -3.323 1.00 31.34 H new ATOM 0 HB2 ASP B 72 -16.167 -6.696 -1.308 1.00 23.24 H new ATOM 0 HB3 ASP B 72 -17.717 -5.898 -1.490 1.00 23.24 H new ATOM 2717 N LYS B 73 -18.128 -4.296 -4.162 1.00 72.13 N ATOM 2718 CA LYS B 73 -19.109 -4.065 -5.227 1.00 41.33 C ATOM 2719 C LYS B 73 -18.547 -3.186 -6.366 1.00 12.54 C ATOM 2720 O LYS B 73 -19.222 -2.989 -7.385 1.00 65.02 O ATOM 2721 CB LYS B 73 -20.386 -3.437 -4.618 1.00 52.13 C ATOM 2722 CG LYS B 73 -21.042 -4.286 -3.502 1.00 71.33 C ATOM 2723 CD LYS B 73 -22.376 -3.686 -2.994 1.00 23.52 C ATOM 2724 CE LYS B 73 -23.469 -3.673 -4.078 1.00 31.41 C ATOM 2725 NZ LYS B 73 -24.780 -3.191 -3.556 1.00 51.33 N ATOM 0 H LYS B 73 -18.283 -3.722 -3.334 1.00 72.13 H new ATOM 0 HA LYS B 73 -19.354 -5.027 -5.677 1.00 41.33 H new ATOM 0 HB2 LYS B 73 -20.137 -2.456 -4.214 1.00 52.13 H new ATOM 0 HB3 LYS B 73 -21.114 -3.278 -5.414 1.00 52.13 H new ATOM 0 HG2 LYS B 73 -21.222 -5.293 -3.877 1.00 71.33 H new ATOM 0 HG3 LYS B 73 -20.348 -4.376 -2.666 1.00 71.33 H new ATOM 0 HD2 LYS B 73 -22.726 -4.261 -2.137 1.00 23.52 H new ATOM 0 HD3 LYS B 73 -22.203 -2.668 -2.645 1.00 23.52 H new ATOM 0 HE2 LYS B 73 -23.152 -3.034 -4.902 1.00 31.41 H new ATOM 0 HE3 LYS B 73 -23.589 -4.678 -4.482 1.00 31.41 H new ATOM 0 HZ1 LYS B 73 -25.483 -3.200 -4.322 1.00 51.33 H new ATOM 0 HZ2 LYS B 73 -25.098 -3.815 -2.787 1.00 51.33 H new ATOM 0 HZ3 LYS B 73 -24.675 -2.222 -3.195 1.00 51.33 H new ATOM 2739 N LEU B 74 -17.321 -2.660 -6.187 1.00 2.33 N ATOM 2740 CA LEU B 74 -16.614 -1.862 -7.208 1.00 22.14 C ATOM 2741 C LEU B 74 -15.733 -2.782 -8.075 1.00 54.15 C ATOM 2742 O LEU B 74 -15.212 -3.791 -7.599 1.00 53.32 O ATOM 2743 CB LEU B 74 -15.753 -0.741 -6.548 1.00 10.41 C ATOM 2744 CG LEU B 74 -16.509 0.519 -6.010 1.00 2.12 C ATOM 2745 CD1 LEU B 74 -17.322 1.194 -7.129 1.00 44.44 C ATOM 2746 CD2 LEU B 74 -17.381 0.197 -4.778 1.00 54.20 C ATOM 0 H LEU B 74 -16.789 -2.777 -5.325 1.00 2.33 H new ATOM 0 HA LEU B 74 -17.356 -1.379 -7.844 1.00 22.14 H new ATOM 0 HB2 LEU B 74 -15.201 -1.183 -5.719 1.00 10.41 H new ATOM 0 HB3 LEU B 74 -15.017 -0.407 -7.279 1.00 10.41 H new ATOM 0 HG LEU B 74 -15.755 1.230 -5.673 1.00 2.12 H new ATOM 0 HD11 LEU B 74 -17.838 2.067 -6.728 1.00 44.44 H new ATOM 0 HD12 LEU B 74 -16.651 1.505 -7.930 1.00 44.44 H new ATOM 0 HD13 LEU B 74 -18.054 0.489 -7.523 1.00 44.44 H new ATOM 0 HD21 LEU B 74 -17.885 1.103 -4.442 1.00 54.20 H new ATOM 0 HD22 LEU B 74 -18.124 -0.554 -5.045 1.00 54.20 H new ATOM 0 HD23 LEU B 74 -16.750 -0.186 -3.976 1.00 54.20 H new ATOM 2758 N GLU B 75 -15.560 -2.378 -9.340 1.00 64.41 N ATOM 2759 CA GLU B 75 -14.893 -3.183 -10.385 1.00 24.53 C ATOM 2760 C GLU B 75 -13.361 -3.211 -10.221 1.00 50.14 C ATOM 2761 O GLU B 75 -12.688 -4.008 -10.892 1.00 31.34 O ATOM 2762 CB GLU B 75 -15.285 -2.625 -11.785 1.00 1.15 C ATOM 2763 CG GLU B 75 -16.812 -2.572 -12.045 1.00 3.14 C ATOM 2764 CD GLU B 75 -17.173 -1.820 -13.337 1.00 2.41 C ATOM 2765 OE1 GLU B 75 -17.156 -0.570 -13.325 1.00 63.32 O ATOM 2766 OE2 GLU B 75 -17.453 -2.466 -14.370 1.00 2.45 O ATOM 0 H GLU B 75 -15.882 -1.471 -9.676 1.00 64.41 H new ATOM 0 HA GLU B 75 -15.232 -4.214 -10.285 1.00 24.53 H new ATOM 0 HB2 GLU B 75 -14.875 -1.621 -11.891 1.00 1.15 H new ATOM 0 HB3 GLU B 75 -14.819 -3.242 -12.553 1.00 1.15 H new ATOM 0 HG2 GLU B 75 -17.201 -3.589 -12.101 1.00 3.14 H new ATOM 0 HG3 GLU B 75 -17.303 -2.089 -11.200 1.00 3.14 H new ATOM 2773 N ASP B 76 -12.807 -2.337 -9.347 1.00 21.34 N ATOM 2774 CA ASP B 76 -11.359 -2.325 -9.070 1.00 34.32 C ATOM 2775 C ASP B 76 -10.992 -3.570 -8.252 1.00 1.13 C ATOM 2776 O ASP B 76 -10.026 -4.269 -8.568 1.00 43.14 O ATOM 2777 CB ASP B 76 -10.920 -1.021 -8.349 1.00 21.43 C ATOM 2778 CG ASP B 76 -11.380 -0.892 -6.891 1.00 53.43 C ATOM 2779 OD1 ASP B 76 -12.600 -0.849 -6.668 1.00 23.20 O ATOM 2780 OD2 ASP B 76 -10.528 -0.814 -5.969 1.00 53.20 O ATOM 0 H ASP B 76 -13.339 -1.639 -8.828 1.00 21.34 H new ATOM 0 HA ASP B 76 -10.820 -2.348 -10.017 1.00 34.32 H new ATOM 0 HB2 ASP B 76 -9.832 -0.959 -8.376 1.00 21.43 H new ATOM 0 HB3 ASP B 76 -11.302 -0.168 -8.910 1.00 21.43 H new ATOM 2785 N VAL B 77 -11.808 -3.848 -7.221 1.00 3.10 N ATOM 2786 CA VAL B 77 -11.701 -5.056 -6.413 1.00 11.55 C ATOM 2787 C VAL B 77 -12.379 -6.211 -7.165 1.00 33.02 C ATOM 2788 O VAL B 77 -13.612 -6.327 -7.190 1.00 23.42 O ATOM 2789 CB VAL B 77 -12.328 -4.831 -4.986 1.00 34.44 C ATOM 2790 CG1 VAL B 77 -12.429 -6.144 -4.180 1.00 62.01 C ATOM 2791 CG2 VAL B 77 -11.508 -3.787 -4.202 1.00 42.11 C ATOM 0 H VAL B 77 -12.565 -3.229 -6.929 1.00 3.10 H new ATOM 0 HA VAL B 77 -10.653 -5.308 -6.255 1.00 11.55 H new ATOM 0 HB VAL B 77 -13.342 -4.460 -5.132 1.00 34.44 H new ATOM 0 HG11 VAL B 77 -12.867 -5.939 -3.203 1.00 62.01 H new ATOM 0 HG12 VAL B 77 -13.058 -6.854 -4.718 1.00 62.01 H new ATOM 0 HG13 VAL B 77 -11.433 -6.568 -4.049 1.00 62.01 H new ATOM 0 HG21 VAL B 77 -11.952 -3.641 -3.217 1.00 42.11 H new ATOM 0 HG22 VAL B 77 -10.483 -4.140 -4.089 1.00 42.11 H new ATOM 0 HG23 VAL B 77 -11.509 -2.842 -4.745 1.00 42.11 H new ATOM 2801 N VAL B 78 -11.543 -7.016 -7.832 1.00 24.14 N ATOM 2802 CA VAL B 78 -11.978 -8.178 -8.628 1.00 40.33 C ATOM 2803 C VAL B 78 -12.542 -9.268 -7.688 1.00 53.22 C ATOM 2804 O VAL B 78 -13.561 -9.896 -7.982 1.00 75.34 O ATOM 2805 CB VAL B 78 -10.782 -8.755 -9.488 1.00 75.10 C ATOM 2806 CG1 VAL B 78 -11.271 -9.759 -10.558 1.00 4.34 C ATOM 2807 CG2 VAL B 78 -9.960 -7.621 -10.146 1.00 24.51 C ATOM 0 H VAL B 78 -10.532 -6.880 -7.836 1.00 24.14 H new ATOM 0 HA VAL B 78 -12.760 -7.857 -9.317 1.00 40.33 H new ATOM 0 HB VAL B 78 -10.132 -9.294 -8.799 1.00 75.10 H new ATOM 0 HG11 VAL B 78 -10.418 -10.130 -11.125 1.00 4.34 H new ATOM 0 HG12 VAL B 78 -11.774 -10.594 -10.070 1.00 4.34 H new ATOM 0 HG13 VAL B 78 -11.967 -9.261 -11.233 1.00 4.34 H new ATOM 0 HG21 VAL B 78 -9.147 -8.053 -10.729 1.00 24.51 H new ATOM 0 HG22 VAL B 78 -10.606 -7.037 -10.801 1.00 24.51 H new ATOM 0 HG23 VAL B 78 -9.548 -6.974 -9.372 1.00 24.51 H new ATOM 2817 N LYS B 79 -11.850 -9.466 -6.552 1.00 2.54 N ATOM 2818 CA LYS B 79 -12.279 -10.351 -5.444 1.00 72.21 C ATOM 2819 C LYS B 79 -11.804 -9.729 -4.121 1.00 63.33 C ATOM 2820 O LYS B 79 -10.801 -9.018 -4.102 1.00 51.52 O ATOM 2821 CB LYS B 79 -11.684 -11.788 -5.583 1.00 64.23 C ATOM 2822 CG LYS B 79 -12.141 -12.572 -6.827 1.00 11.34 C ATOM 2823 CD LYS B 79 -11.464 -13.956 -6.952 1.00 22.11 C ATOM 2824 CE LYS B 79 -11.955 -14.754 -8.175 1.00 52.41 C ATOM 2825 NZ LYS B 79 -13.425 -14.990 -8.144 1.00 42.00 N ATOM 0 H LYS B 79 -10.957 -9.007 -6.371 1.00 2.54 H new ATOM 0 HA LYS B 79 -13.365 -10.442 -5.470 1.00 72.21 H new ATOM 0 HB2 LYS B 79 -10.597 -11.713 -5.600 1.00 64.23 H new ATOM 0 HB3 LYS B 79 -11.950 -12.361 -4.695 1.00 64.23 H new ATOM 0 HG2 LYS B 79 -13.222 -12.705 -6.789 1.00 11.34 H new ATOM 0 HG3 LYS B 79 -11.923 -11.985 -7.719 1.00 11.34 H new ATOM 0 HD2 LYS B 79 -10.384 -13.822 -7.021 1.00 22.11 H new ATOM 0 HD3 LYS B 79 -11.656 -14.532 -6.047 1.00 22.11 H new ATOM 0 HE2 LYS B 79 -11.695 -14.215 -9.086 1.00 52.41 H new ATOM 0 HE3 LYS B 79 -11.436 -15.712 -8.213 1.00 52.41 H new ATOM 0 HZ1 LYS B 79 -13.683 -15.668 -8.889 1.00 42.00 H new ATOM 0 HZ2 LYS B 79 -13.695 -15.375 -7.216 1.00 42.00 H new ATOM 0 HZ3 LYS B 79 -13.924 -14.092 -8.305 1.00 42.00 H new ATOM 2839 N VAL B 80 -12.521 -9.984 -3.015 1.00 12.02 N ATOM 2840 CA VAL B 80 -12.090 -9.540 -1.665 1.00 61.21 C ATOM 2841 C VAL B 80 -12.218 -10.709 -0.670 1.00 25.30 C ATOM 2842 O VAL B 80 -13.181 -11.487 -0.743 1.00 34.35 O ATOM 2843 CB VAL B 80 -12.915 -8.287 -1.149 1.00 42.04 C ATOM 2844 CG1 VAL B 80 -14.374 -8.638 -0.788 1.00 41.41 C ATOM 2845 CG2 VAL B 80 -12.200 -7.586 0.029 1.00 11.01 C ATOM 0 H VAL B 80 -13.404 -10.495 -3.022 1.00 12.02 H new ATOM 0 HA VAL B 80 -11.048 -9.227 -1.737 1.00 61.21 H new ATOM 0 HB VAL B 80 -12.961 -7.586 -1.983 1.00 42.04 H new ATOM 0 HG11 VAL B 80 -14.889 -7.742 -0.441 1.00 41.41 H new ATOM 0 HG12 VAL B 80 -14.882 -9.031 -1.669 1.00 41.41 H new ATOM 0 HG13 VAL B 80 -14.383 -9.390 0.001 1.00 41.41 H new ATOM 0 HG21 VAL B 80 -12.792 -6.732 0.358 1.00 11.01 H new ATOM 0 HG22 VAL B 80 -12.086 -8.288 0.855 1.00 11.01 H new ATOM 0 HG23 VAL B 80 -11.217 -7.243 -0.294 1.00 11.01 H new ATOM 2855 N GLN B 81 -11.234 -10.862 0.233 1.00 41.25 N ATOM 2856 CA GLN B 81 -11.301 -11.827 1.345 1.00 50.13 C ATOM 2857 C GLN B 81 -10.713 -11.192 2.604 1.00 72.04 C ATOM 2858 O GLN B 81 -9.836 -10.317 2.527 1.00 61.55 O ATOM 2859 CB GLN B 81 -10.544 -13.149 1.014 1.00 43.34 C ATOM 2860 CG GLN B 81 -11.192 -14.019 -0.081 1.00 43.22 C ATOM 2861 CD GLN B 81 -10.417 -15.302 -0.381 1.00 1.15 C ATOM 2862 OE1 GLN B 81 -9.538 -15.322 -1.236 1.00 14.40 O ATOM 2863 NE2 GLN B 81 -10.733 -16.374 0.326 1.00 44.54 N ATOM 0 H GLN B 81 -10.370 -10.320 0.213 1.00 41.25 H new ATOM 0 HA GLN B 81 -12.348 -12.081 1.508 1.00 50.13 H new ATOM 0 HB2 GLN B 81 -9.529 -12.900 0.705 1.00 43.34 H new ATOM 0 HB3 GLN B 81 -10.463 -13.741 1.926 1.00 43.34 H new ATOM 0 HG2 GLN B 81 -12.205 -14.280 0.226 1.00 43.22 H new ATOM 0 HG3 GLN B 81 -11.277 -13.433 -0.996 1.00 43.22 H new ATOM 0 HE21 GLN B 81 -11.470 -16.322 1.030 1.00 44.54 H new ATOM 0 HE22 GLN B 81 -10.240 -17.253 0.168 1.00 44.54 H new ATOM 2872 N ARG B 82 -11.227 -11.634 3.757 1.00 40.22 N ATOM 2873 CA ARG B 82 -10.688 -11.300 5.075 1.00 64.33 C ATOM 2874 C ARG B 82 -10.432 -12.613 5.845 1.00 71.52 C ATOM 2875 O ARG B 82 -11.354 -13.403 6.087 1.00 64.33 O ATOM 2876 CB ARG B 82 -11.661 -10.366 5.859 1.00 12.13 C ATOM 2877 CG ARG B 82 -13.069 -10.935 6.111 1.00 63.32 C ATOM 2878 CD ARG B 82 -13.889 -10.116 7.120 1.00 21.44 C ATOM 2879 NE ARG B 82 -15.016 -10.913 7.623 1.00 13.42 N ATOM 2880 CZ ARG B 82 -15.542 -10.819 8.844 1.00 74.31 C ATOM 2881 NH1 ARG B 82 -15.068 -9.946 9.731 1.00 5.44 N ATOM 2882 NH2 ARG B 82 -16.530 -11.628 9.189 1.00 33.34 N ATOM 0 H ARG B 82 -12.043 -12.244 3.798 1.00 40.22 H new ATOM 0 HA ARG B 82 -9.751 -10.755 4.961 1.00 64.33 H new ATOM 0 HB2 ARG B 82 -11.208 -10.125 6.821 1.00 12.13 H new ATOM 0 HB3 ARG B 82 -11.760 -9.430 5.309 1.00 12.13 H new ATOM 0 HG2 ARG B 82 -13.609 -10.978 5.165 1.00 63.32 H new ATOM 0 HG3 ARG B 82 -12.979 -11.959 6.474 1.00 63.32 H new ATOM 0 HD2 ARG B 82 -13.254 -9.806 7.950 1.00 21.44 H new ATOM 0 HD3 ARG B 82 -14.260 -9.207 6.646 1.00 21.44 H new ATOM 0 HE ARG B 82 -15.430 -11.594 6.986 1.00 13.42 H new ATOM 0 HH11 ARG B 82 -14.290 -9.336 9.480 1.00 5.44 H new ATOM 0 HH12 ARG B 82 -15.483 -9.888 10.661 1.00 5.44 H new ATOM 0 HH21 ARG B 82 -16.882 -12.316 8.523 1.00 33.34 H new ATOM 0 HH22 ARG B 82 -16.940 -11.564 10.121 1.00 33.34 H new ATOM 2896 N ASN B 83 -9.169 -12.874 6.169 1.00 22.50 N ATOM 2897 CA ASN B 83 -8.760 -14.027 6.986 1.00 23.44 C ATOM 2898 C ASN B 83 -7.997 -13.526 8.210 1.00 72.52 C ATOM 2899 O ASN B 83 -7.016 -12.806 8.071 1.00 14.42 O ATOM 2900 CB ASN B 83 -7.872 -14.987 6.150 1.00 15.13 C ATOM 2901 CG ASN B 83 -8.697 -15.885 5.217 1.00 22.24 C ATOM 2902 OD1 ASN B 83 -9.054 -17.012 5.570 1.00 72.00 O ATOM 2903 ND2 ASN B 83 -9.033 -15.392 4.041 1.00 14.02 N ATOM 0 H ASN B 83 -8.388 -12.289 5.872 1.00 22.50 H new ATOM 0 HA ASN B 83 -9.644 -14.576 7.311 1.00 23.44 H new ATOM 0 HB2 ASN B 83 -7.168 -14.403 5.558 1.00 15.13 H new ATOM 0 HB3 ASN B 83 -7.283 -15.611 6.822 1.00 15.13 H new ATOM 0 HD21 ASN B 83 -9.601 -15.945 3.399 1.00 14.02 H new ATOM 0 HD22 ASN B 83 -8.725 -14.457 3.773 1.00 14.02 H new ATOM 2910 N GLN B 84 -8.445 -13.936 9.403 1.00 43.14 N ATOM 2911 CA GLN B 84 -7.815 -13.551 10.674 1.00 55.41 C ATOM 2912 C GLN B 84 -6.699 -14.560 10.984 1.00 41.52 C ATOM 2913 O GLN B 84 -6.959 -15.741 11.243 1.00 1.13 O ATOM 2914 CB GLN B 84 -8.864 -13.443 11.838 1.00 23.12 C ATOM 2915 CG GLN B 84 -9.804 -14.658 12.070 1.00 44.22 C ATOM 2916 CD GLN B 84 -10.919 -14.827 11.028 1.00 25.25 C ATOM 2917 OE1 GLN B 84 -11.398 -13.852 10.434 1.00 63.43 O ATOM 2918 NE2 GLN B 84 -11.343 -16.062 10.800 1.00 1.14 N ATOM 0 H GLN B 84 -9.256 -14.545 9.515 1.00 43.14 H new ATOM 0 HA GLN B 84 -7.382 -12.555 10.582 1.00 55.41 H new ATOM 0 HB2 GLN B 84 -8.321 -13.256 12.764 1.00 23.12 H new ATOM 0 HB3 GLN B 84 -9.486 -12.567 11.651 1.00 23.12 H new ATOM 0 HG2 GLN B 84 -9.201 -15.566 12.085 1.00 44.22 H new ATOM 0 HG3 GLN B 84 -10.260 -14.562 13.055 1.00 44.22 H new ATOM 0 HE21 GLN B 84 -10.928 -16.845 11.305 1.00 1.14 H new ATOM 0 HE22 GLN B 84 -12.084 -16.229 10.119 1.00 1.14 H new ATOM 2927 N SER B 85 -5.455 -14.084 10.903 1.00 14.53 N ATOM 2928 CA SER B 85 -4.264 -14.937 10.925 1.00 20.51 C ATOM 2929 C SER B 85 -3.052 -14.141 11.423 1.00 10.31 C ATOM 2930 O SER B 85 -3.142 -12.930 11.665 1.00 30.55 O ATOM 2931 CB SER B 85 -4.022 -15.501 9.498 1.00 61.33 C ATOM 2932 OG SER B 85 -2.965 -16.451 9.459 1.00 23.30 O ATOM 0 H SER B 85 -5.244 -13.090 10.820 1.00 14.53 H new ATOM 0 HA SER B 85 -4.415 -15.770 11.612 1.00 20.51 H new ATOM 0 HB2 SER B 85 -4.938 -15.967 9.135 1.00 61.33 H new ATOM 0 HB3 SER B 85 -3.792 -14.679 8.820 1.00 61.33 H new ATOM 0 HG SER B 85 -3.137 -17.103 8.747 1.00 23.30 H new ATOM 2938 N ASP B 86 -1.923 -14.858 11.573 1.00 44.12 N ATOM 2939 CA ASP B 86 -0.666 -14.319 12.109 1.00 72.21 C ATOM 2940 C ASP B 86 -0.069 -13.274 11.133 1.00 31.05 C ATOM 2941 O ASP B 86 -0.061 -13.518 9.919 1.00 22.53 O ATOM 2942 CB ASP B 86 0.339 -15.485 12.349 1.00 30.42 C ATOM 2943 CG ASP B 86 1.555 -15.081 13.197 1.00 0.31 C ATOM 2944 OD1 ASP B 86 2.499 -14.481 12.656 1.00 75.44 O ATOM 2945 OD2 ASP B 86 1.569 -15.360 14.415 1.00 32.31 O ATOM 0 H ASP B 86 -1.861 -15.844 11.320 1.00 44.12 H new ATOM 0 HA ASP B 86 -0.863 -13.821 13.058 1.00 72.21 H new ATOM 0 HB2 ASP B 86 -0.181 -16.307 12.842 1.00 30.42 H new ATOM 0 HB3 ASP B 86 0.686 -15.859 11.386 1.00 30.42 H new ATOM 2950 N PRO B 87 0.427 -12.100 11.657 1.00 2.32 N ATOM 2951 CA PRO B 87 1.052 -11.025 10.841 1.00 5.12 C ATOM 2952 C PRO B 87 2.098 -11.511 9.810 1.00 71.01 C ATOM 2953 O PRO B 87 2.108 -11.024 8.677 1.00 23.04 O ATOM 2954 CB PRO B 87 1.713 -10.115 11.902 1.00 22.22 C ATOM 2955 CG PRO B 87 0.830 -10.253 13.101 1.00 42.50 C ATOM 2956 CD PRO B 87 0.364 -11.699 13.096 1.00 61.34 C ATOM 0 HA PRO B 87 0.304 -10.534 10.219 1.00 5.12 H new ATOM 0 HB2 PRO B 87 2.733 -10.432 12.119 1.00 22.22 H new ATOM 0 HB3 PRO B 87 1.766 -9.080 11.563 1.00 22.22 H new ATOM 0 HG2 PRO B 87 1.372 -10.018 14.017 1.00 42.50 H new ATOM 0 HG3 PRO B 87 -0.016 -9.568 13.047 1.00 42.50 H new ATOM 0 HD2 PRO B 87 1.007 -12.327 13.713 1.00 61.34 H new ATOM 0 HD3 PRO B 87 -0.647 -11.793 13.492 1.00 61.34 H new ATOM 2964 N THR B 88 2.919 -12.520 10.189 1.00 21.34 N ATOM 2965 CA THR B 88 4.057 -13.004 9.365 1.00 21.20 C ATOM 2966 C THR B 88 3.625 -13.616 8.012 1.00 15.54 C ATOM 2967 O THR B 88 4.485 -14.027 7.226 1.00 1.23 O ATOM 2968 CB THR B 88 4.935 -14.050 10.134 1.00 53.52 C ATOM 2969 OG1 THR B 88 4.165 -15.233 10.407 1.00 51.11 O ATOM 2970 CG2 THR B 88 5.480 -13.474 11.451 1.00 11.45 C ATOM 0 H THR B 88 2.813 -13.021 11.071 1.00 21.34 H new ATOM 0 HA THR B 88 4.645 -12.110 9.158 1.00 21.20 H new ATOM 0 HB THR B 88 5.784 -14.301 9.498 1.00 53.52 H new ATOM 0 HG1 THR B 88 3.555 -15.061 11.155 1.00 51.11 H new ATOM 0 HG21 THR B 88 6.084 -14.228 11.956 1.00 11.45 H new ATOM 0 HG22 THR B 88 6.095 -12.599 11.239 1.00 11.45 H new ATOM 0 HG23 THR B 88 4.648 -13.185 12.094 1.00 11.45 H new ATOM 2978 N MET B 89 2.300 -13.692 7.755 1.00 14.10 N ATOM 2979 CA MET B 89 1.760 -14.096 6.447 1.00 13.15 C ATOM 2980 C MET B 89 2.312 -13.205 5.319 1.00 22.01 C ATOM 2981 O MET B 89 2.707 -13.735 4.283 1.00 32.42 O ATOM 2982 CB MET B 89 0.206 -14.083 6.446 1.00 21.20 C ATOM 2983 CG MET B 89 -0.426 -14.465 5.091 1.00 73.04 C ATOM 2984 SD MET B 89 -2.217 -14.655 5.159 1.00 11.14 S ATOM 2985 CE MET B 89 -2.398 -16.089 6.223 1.00 12.03 C ATOM 0 H MET B 89 1.583 -13.475 8.447 1.00 14.10 H new ATOM 0 HA MET B 89 2.086 -15.120 6.262 1.00 13.15 H new ATOM 0 HB2 MET B 89 -0.153 -14.773 7.210 1.00 21.20 H new ATOM 0 HB3 MET B 89 -0.139 -13.088 6.728 1.00 21.20 H new ATOM 0 HG2 MET B 89 -0.178 -13.700 4.355 1.00 73.04 H new ATOM 0 HG3 MET B 89 0.017 -15.398 4.743 1.00 73.04 H new ATOM 0 HE1 MET B 89 -3.453 -16.349 6.307 1.00 12.03 H new ATOM 0 HE2 MET B 89 -1.850 -16.929 5.797 1.00 12.03 H new ATOM 0 HE3 MET B 89 -2.001 -15.861 7.212 1.00 12.03 H new ATOM 2995 N PHE B 90 2.390 -11.860 5.560 1.00 62.44 N ATOM 2996 CA PHE B 90 2.891 -10.898 4.545 1.00 43.41 C ATOM 2997 C PHE B 90 4.370 -11.217 4.211 1.00 71.00 C ATOM 2998 O PHE B 90 4.788 -11.143 3.062 1.00 12.30 O ATOM 2999 CB PHE B 90 2.715 -9.398 4.989 1.00 73.11 C ATOM 3000 CG PHE B 90 3.846 -8.803 5.853 1.00 4.54 C ATOM 3001 CD1 PHE B 90 3.855 -8.953 7.240 1.00 75.23 C ATOM 3002 CD2 PHE B 90 4.912 -8.099 5.266 1.00 1.43 C ATOM 3003 CE1 PHE B 90 4.882 -8.433 8.009 1.00 45.01 C ATOM 3004 CE2 PHE B 90 5.938 -7.582 6.038 1.00 30.42 C ATOM 3005 CZ PHE B 90 5.921 -7.749 7.406 1.00 43.12 C ATOM 0 H PHE B 90 2.113 -11.428 6.442 1.00 62.44 H new ATOM 0 HA PHE B 90 2.285 -11.017 3.647 1.00 43.41 H new ATOM 0 HB2 PHE B 90 2.611 -8.786 4.093 1.00 73.11 H new ATOM 0 HB3 PHE B 90 1.780 -9.313 5.543 1.00 73.11 H new ATOM 0 HD1 PHE B 90 3.047 -9.484 7.722 1.00 75.23 H new ATOM 0 HD2 PHE B 90 4.931 -7.959 4.195 1.00 1.43 H new ATOM 0 HE1 PHE B 90 4.871 -8.562 9.081 1.00 45.01 H new ATOM 0 HE2 PHE B 90 6.751 -7.048 5.569 1.00 30.42 H new ATOM 0 HZ PHE B 90 6.721 -7.345 8.008 1.00 43.12 H new ATOM 3015 N ASN B 91 5.132 -11.598 5.249 1.00 21.02 N ATOM 3016 CA ASN B 91 6.546 -11.974 5.119 1.00 0.31 C ATOM 3017 C ASN B 91 6.676 -13.290 4.321 1.00 75.21 C ATOM 3018 O ASN B 91 7.573 -13.425 3.483 1.00 73.32 O ATOM 3019 CB ASN B 91 7.164 -12.123 6.539 1.00 32.34 C ATOM 3020 CG ASN B 91 8.682 -12.349 6.559 1.00 52.34 C ATOM 3021 OD1 ASN B 91 9.284 -12.863 5.620 1.00 4.11 O ATOM 3022 ND2 ASN B 91 9.315 -11.979 7.648 1.00 55.44 N ATOM 0 H ASN B 91 4.781 -11.654 6.205 1.00 21.02 H new ATOM 0 HA ASN B 91 7.086 -11.198 4.576 1.00 0.31 H new ATOM 0 HB2 ASN B 91 6.937 -11.226 7.115 1.00 32.34 H new ATOM 0 HB3 ASN B 91 6.680 -12.958 7.045 1.00 32.34 H new ATOM 0 HD21 ASN B 91 10.323 -12.117 7.724 1.00 55.44 H new ATOM 0 HD22 ASN B 91 8.799 -11.554 8.418 1.00 55.44 H new ATOM 3029 N LYS B 92 5.740 -14.227 4.578 1.00 64.01 N ATOM 3030 CA LYS B 92 5.774 -15.604 4.048 1.00 50.41 C ATOM 3031 C LYS B 92 5.766 -15.605 2.504 1.00 63.22 C ATOM 3032 O LYS B 92 6.661 -16.188 1.879 1.00 53.42 O ATOM 3033 CB LYS B 92 4.587 -16.439 4.650 1.00 73.34 C ATOM 3034 CG LYS B 92 4.726 -17.989 4.563 1.00 51.52 C ATOM 3035 CD LYS B 92 4.417 -18.591 3.170 1.00 63.31 C ATOM 3036 CE LYS B 92 4.745 -20.091 3.089 1.00 23.42 C ATOM 3037 NZ LYS B 92 3.977 -20.898 4.075 1.00 11.33 N ATOM 0 H LYS B 92 4.928 -14.045 5.168 1.00 64.01 H new ATOM 0 HA LYS B 92 6.705 -16.080 4.354 1.00 50.41 H new ATOM 0 HB2 LYS B 92 4.470 -16.163 5.698 1.00 73.34 H new ATOM 0 HB3 LYS B 92 3.669 -16.148 4.140 1.00 73.34 H new ATOM 0 HG2 LYS B 92 5.742 -18.265 4.845 1.00 51.52 H new ATOM 0 HG3 LYS B 92 4.057 -18.441 5.295 1.00 51.52 H new ATOM 0 HD2 LYS B 92 3.363 -18.440 2.939 1.00 63.31 H new ATOM 0 HD3 LYS B 92 4.989 -18.056 2.412 1.00 63.31 H new ATOM 0 HE2 LYS B 92 4.530 -20.452 2.083 1.00 23.42 H new ATOM 0 HE3 LYS B 92 5.812 -20.236 3.259 1.00 23.42 H new ATOM 0 HZ1 LYS B 92 4.235 -21.901 3.979 1.00 11.33 H new ATOM 0 HZ2 LYS B 92 4.200 -20.574 5.038 1.00 11.33 H new ATOM 0 HZ3 LYS B 92 2.958 -20.784 3.899 1.00 11.33 H new ATOM 3051 N ILE B 93 4.766 -14.940 1.886 1.00 73.45 N ATOM 3052 CA ILE B 93 4.662 -14.898 0.408 1.00 11.23 C ATOM 3053 C ILE B 93 5.680 -13.922 -0.198 1.00 35.44 C ATOM 3054 O ILE B 93 6.063 -14.091 -1.352 1.00 13.04 O ATOM 3055 CB ILE B 93 3.221 -14.587 -0.160 1.00 72.14 C ATOM 3056 CG1 ILE B 93 2.789 -13.102 0.045 1.00 3.31 C ATOM 3057 CG2 ILE B 93 2.169 -15.551 0.433 1.00 75.52 C ATOM 3058 CD1 ILE B 93 2.398 -12.730 1.453 1.00 14.24 C ATOM 0 H ILE B 93 4.030 -14.432 2.376 1.00 73.45 H new ATOM 0 HA ILE B 93 4.889 -15.919 0.100 1.00 11.23 H new ATOM 0 HB ILE B 93 3.277 -14.748 -1.237 1.00 72.14 H new ATOM 0 HG12 ILE B 93 3.609 -12.456 -0.269 1.00 3.31 H new ATOM 0 HG13 ILE B 93 1.947 -12.892 -0.615 1.00 3.31 H new ATOM 0 HG21 ILE B 93 1.187 -15.314 0.024 1.00 75.52 H new ATOM 0 HG22 ILE B 93 2.430 -16.578 0.176 1.00 75.52 H new ATOM 0 HG23 ILE B 93 2.147 -15.443 1.517 1.00 75.52 H new ATOM 0 HD11 ILE B 93 2.115 -11.678 1.486 1.00 14.24 H new ATOM 0 HD12 ILE B 93 1.554 -13.343 1.770 1.00 14.24 H new ATOM 0 HD13 ILE B 93 3.242 -12.900 2.122 1.00 14.24 H new ATOM 3070 N ALA B 94 6.083 -12.884 0.576 1.00 41.11 N ATOM 3071 CA ALA B 94 7.107 -11.910 0.133 1.00 1.31 C ATOM 3072 C ALA B 94 8.432 -12.623 -0.197 1.00 73.22 C ATOM 3073 O ALA B 94 8.972 -12.462 -1.298 1.00 32.44 O ATOM 3074 CB ALA B 94 7.323 -10.821 1.195 1.00 4.04 C ATOM 0 H ALA B 94 5.714 -12.701 1.509 1.00 41.11 H new ATOM 0 HA ALA B 94 6.745 -11.428 -0.775 1.00 1.31 H new ATOM 0 HB1 ALA B 94 8.079 -10.118 0.846 1.00 4.04 H new ATOM 0 HB2 ALA B 94 6.387 -10.291 1.368 1.00 4.04 H new ATOM 0 HB3 ALA B 94 7.656 -11.281 2.125 1.00 4.04 H new ATOM 3080 N VAL B 95 8.910 -13.454 0.752 1.00 62.32 N ATOM 3081 CA VAL B 95 10.149 -14.229 0.582 1.00 30.14 C ATOM 3082 C VAL B 95 9.939 -15.391 -0.411 1.00 11.14 C ATOM 3083 O VAL B 95 10.849 -15.753 -1.152 1.00 44.01 O ATOM 3084 CB VAL B 95 10.718 -14.748 1.962 1.00 13.13 C ATOM 3085 CG1 VAL B 95 9.768 -15.756 2.638 1.00 43.21 C ATOM 3086 CG2 VAL B 95 12.148 -15.330 1.810 1.00 51.51 C ATOM 0 H VAL B 95 8.450 -13.604 1.650 1.00 62.32 H new ATOM 0 HA VAL B 95 10.898 -13.557 0.164 1.00 30.14 H new ATOM 0 HB VAL B 95 10.786 -13.882 2.620 1.00 13.13 H new ATOM 0 HG11 VAL B 95 10.200 -16.086 3.583 1.00 43.21 H new ATOM 0 HG12 VAL B 95 8.806 -15.280 2.825 1.00 43.21 H new ATOM 0 HG13 VAL B 95 9.626 -16.617 1.984 1.00 43.21 H new ATOM 0 HG21 VAL B 95 12.505 -15.676 2.780 1.00 51.51 H new ATOM 0 HG22 VAL B 95 12.128 -16.166 1.111 1.00 51.51 H new ATOM 0 HG23 VAL B 95 12.817 -14.557 1.432 1.00 51.51 H new ATOM 3096 N PHE B 96 8.710 -15.947 -0.445 1.00 12.34 N ATOM 3097 CA PHE B 96 8.349 -17.054 -1.360 1.00 31.31 C ATOM 3098 C PHE B 96 8.342 -16.580 -2.831 1.00 62.41 C ATOM 3099 O PHE B 96 8.641 -17.354 -3.740 1.00 62.44 O ATOM 3100 CB PHE B 96 6.975 -17.643 -0.951 1.00 34.33 C ATOM 3101 CG PHE B 96 6.519 -18.849 -1.777 1.00 44.31 C ATOM 3102 CD1 PHE B 96 7.108 -20.103 -1.597 1.00 45.51 C ATOM 3103 CD2 PHE B 96 5.511 -18.726 -2.739 1.00 41.11 C ATOM 3104 CE1 PHE B 96 6.703 -21.193 -2.350 1.00 64.34 C ATOM 3105 CE2 PHE B 96 5.110 -19.816 -3.490 1.00 32.32 C ATOM 3106 CZ PHE B 96 5.706 -21.048 -3.296 1.00 54.42 C ATOM 0 H PHE B 96 7.943 -15.645 0.156 1.00 12.34 H new ATOM 0 HA PHE B 96 9.102 -17.838 -1.279 1.00 31.31 H new ATOM 0 HB2 PHE B 96 7.019 -17.935 0.098 1.00 34.33 H new ATOM 0 HB3 PHE B 96 6.222 -16.860 -1.032 1.00 34.33 H new ATOM 0 HD1 PHE B 96 7.889 -20.224 -0.861 1.00 45.51 H new ATOM 0 HD2 PHE B 96 5.040 -17.767 -2.897 1.00 41.11 H new ATOM 0 HE1 PHE B 96 7.167 -22.156 -2.198 1.00 64.34 H new ATOM 0 HE2 PHE B 96 4.330 -19.704 -4.229 1.00 32.32 H new ATOM 0 HZ PHE B 96 5.392 -21.898 -3.884 1.00 54.42 H new ATOM 3116 N PHE B 97 8.009 -15.296 -3.027 1.00 24.43 N ATOM 3117 CA PHE B 97 7.980 -14.635 -4.344 1.00 40.33 C ATOM 3118 C PHE B 97 9.402 -14.547 -4.924 1.00 10.11 C ATOM 3119 O PHE B 97 9.615 -14.855 -6.105 1.00 2.02 O ATOM 3120 CB PHE B 97 7.367 -13.220 -4.171 1.00 31.41 C ATOM 3121 CG PHE B 97 7.279 -12.366 -5.435 1.00 33.05 C ATOM 3122 CD1 PHE B 97 6.286 -12.599 -6.389 1.00 41.30 C ATOM 3123 CD2 PHE B 97 8.161 -11.301 -5.649 1.00 62.34 C ATOM 3124 CE1 PHE B 97 6.187 -11.805 -7.518 1.00 12.22 C ATOM 3125 CE2 PHE B 97 8.063 -10.512 -6.779 1.00 43.03 C ATOM 3126 CZ PHE B 97 7.072 -10.761 -7.711 1.00 2.33 C ATOM 0 H PHE B 97 7.747 -14.675 -2.262 1.00 24.43 H new ATOM 0 HA PHE B 97 7.371 -15.212 -5.040 1.00 40.33 H new ATOM 0 HB2 PHE B 97 6.363 -13.329 -3.760 1.00 31.41 H new ATOM 0 HB3 PHE B 97 7.957 -12.679 -3.432 1.00 31.41 H new ATOM 0 HD1 PHE B 97 5.587 -13.409 -6.244 1.00 41.30 H new ATOM 0 HD2 PHE B 97 8.930 -11.093 -4.920 1.00 62.34 H new ATOM 0 HE1 PHE B 97 5.417 -12.001 -8.249 1.00 12.22 H new ATOM 0 HE2 PHE B 97 8.760 -9.702 -6.934 1.00 43.03 H new ATOM 0 HZ PHE B 97 6.990 -10.139 -8.590 1.00 2.33 H new ATOM 3136 N GLN B 98 10.354 -14.135 -4.055 1.00 12.42 N ATOM 3137 CA GLN B 98 11.778 -13.949 -4.399 1.00 63.20 C ATOM 3138 C GLN B 98 11.921 -12.867 -5.511 1.00 4.04 C ATOM 3139 O GLN B 98 12.106 -13.209 -6.701 1.00 22.23 O ATOM 3140 CB GLN B 98 12.460 -15.305 -4.752 1.00 32.45 C ATOM 3141 CG GLN B 98 13.997 -15.247 -4.833 1.00 62.50 C ATOM 3142 CD GLN B 98 14.641 -16.602 -5.157 1.00 62.24 C ATOM 3143 OE1 GLN B 98 14.822 -16.955 -6.323 1.00 13.42 O ATOM 3144 NE2 GLN B 98 14.972 -17.376 -4.131 1.00 51.54 N ATOM 3145 OXT GLN B 98 11.780 -11.666 -5.182 1.00 37.65 O ATOM 0 H GLN B 98 10.148 -13.920 -3.080 1.00 12.42 H new ATOM 0 HA GLN B 98 12.315 -13.577 -3.526 1.00 63.20 H new ATOM 0 HB2 GLN B 98 12.176 -16.045 -4.004 1.00 32.45 H new ATOM 0 HB3 GLN B 98 12.072 -15.654 -5.709 1.00 32.45 H new ATOM 0 HG2 GLN B 98 14.286 -14.524 -5.595 1.00 62.50 H new ATOM 0 HG3 GLN B 98 14.390 -14.884 -3.884 1.00 62.50 H new ATOM 0 HE21 GLN B 98 14.809 -17.055 -3.177 1.00 51.54 H new ATOM 0 HE22 GLN B 98 15.389 -18.292 -4.297 1.00 51.54 H new TER 3154 GLN B 98