USER MOD reduce.3.24.130724 H: found=0, std=0, add=1576, rem=0, adj=44 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 7 THR OG1 : rot 4:sc= 0.329 USER MOD Set 1.2: B 10 ASN : amide:sc= 0.733 K(o=1.4,f=-4.1!) USER MOD Set 1.3: B 85 SER OG : rot -113:sc= 0.357 USER MOD Set 2.1: B 81 GLN : amide:sc= 0.387 K(o=0.87,f=0.11) USER MOD Set 2.2: B 83 ASN : amide:sc= 0.479 K(o=0.87,f=-2.1!) USER MOD Set 3.1: B 43 CYS SG : rot 4:sc= 0.3 USER MOD Set 3.2: B 52 SER OG : rot 107:sc= 0.988 USER MOD Set 4.1: B 25 THR OG1 : rot 180:sc= -0.0163 USER MOD Set 4.2: B 26 HIS : no HE2:sc= -0.0278 K(o=-0.044,f=-1.6) USER MOD Set 5.1: B 16 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: B 53 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-4.3!) USER MOD Set 6.1: B 2 SER OG : rot 141:sc= 0.122 USER MOD Set 6.2: B 5 ASN : amide:sc= -2.75! C(o=-2.6!,f=-4!) USER MOD Set 7.1: A 91 ASN : amide:sc= -3.57! K(o=-6.9!,f=-2.5) USER MOD Set 7.2: B 91 ASN : amide:sc= -3.37! K(o=-6.9!,f=-2.5) USER MOD Set 8.1: A 81 GLN : amide:sc= 0.312 K(o=0.81,f=0.18) USER MOD Set 8.2: A 83 ASN : amide:sc= 0.495 K(o=0.81,f=-2.5!) USER MOD Set 9.1: A 16 THR OG1 : rot 180:sc=-0.000318 USER MOD Set 9.2: A 53 HIS : no HE2:sc= -1.27! C(o=-1.3!,f=-5.2!) USER MOD Set10.1: A 43 CYS SG : rot 2:sc= 0.703 USER MOD Set10.2: A 52 SER OG : rot 105:sc= 0.979 USER MOD Set11.1: A 28 CYS SG : rot 88:sc= -2.6! USER MOD Set11.2: B 28 CYS SG : rot 88:sc= -2.1! USER MOD Set12.1: A 25 THR OG1 : rot 180:sc= -0.0242 USER MOD Set12.2: A 26 HIS : no HE2:sc= -0.052 K(o=-0.076,f=-1.5) USER MOD Set13.1: A 10 ASN : amide:sc= 0.242 K(o=0.44,f=-3.7!) USER MOD Set13.2: A 85 SER OG : rot -120:sc= 0.196 USER MOD Set14.1: A 3 MET CE :methyl 150:sc= -0.0522 (180deg=-0.382) USER MOD Set14.2: A 4 GLN : amide:sc= -0.86 K(o=-0.91,f=-4!) USER MOD Set15.1: A 2 SER OG : rot 127:sc= 0.661 USER MOD Set15.2: A 5 ASN : amide:sc= -1.16 K(o=-0.5,f=-2.4!) USER MOD Single : A 1 GLY N :NH3+ -170:sc= 0.81 (180deg=0.75) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00218 USER MOD Single : A 7 THR OG1 : rot -89:sc= 0.357 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 20 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.35) USER MOD Single : A 24 MET CE :methyl -142:sc= -1.15 (180deg=-2.75!) USER MOD Single : A 37 ASN : amide:sc= -1.11 K(o=-1.1,f=-4.5!) USER MOD Single : A 47 GLN : amide:sc= 0.182 K(o=0.18,f=-2.4!) USER MOD Single : A 49 SER OG : rot 93:sc= 0.269 USER MOD Single : A 51 LYS NZ :NH3+ 164:sc= 0.725 (180deg=0.572) USER MOD Single : A 59 ASN : amide:sc= -0.231 K(o=-0.23,f=-8.5!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 66 GLN : amide:sc= -0.03 X(o=-0.03,f=-0.18) USER MOD Single : A 67 MET CE :methyl 163:sc= -0.214 (180deg=-0.851) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.96! K(o=-3!,f=-0.45) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0637) USER MOD Single : A 84 GLN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -152:sc= 0 (180deg=-0.697) USER MOD Single : A 92 LYS NZ :NH3+ 171:sc=-0.00149 (180deg=-0.113) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : B 1 GLY N :NH3+ 157:sc= 0.903 (180deg=0.556) USER MOD Single : B 3 MET CE :methyl 164:sc= -0.0466 (180deg=-0.346) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : B 6 THR OG1 : rot 52:sc= 0.427 USER MOD Single : B 8 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : B 19 ASN : amide:sc=-0.00104 K(o=-0.001,f=-1.4) USER MOD Single : B 20 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.4) USER MOD Single : B 24 MET CE :methyl -139:sc= -1.26 (180deg=-2.96!) USER MOD Single : B 37 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.1!) USER MOD Single : B 47 GLN : amide:sc= -1.58! C(o=-1.6!,f=-7.9!) USER MOD Single : B 49 SER OG : rot 91:sc= 0.301 USER MOD Single : B 51 LYS NZ :NH3+ 165:sc= 0.772 (180deg=0.611) USER MOD Single : B 59 ASN : amide:sc= -0.141 K(o=-0.14,f=-8.3!) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 66 GLN : amide:sc= -0.0218 X(o=-0.022,f=-0.17) USER MOD Single : B 67 MET CE :methyl 146:sc= -0.224 (180deg=-0.951) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 GLN : amide:sc= -2.87! K(o=-2.9!,f=-0.53) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 LYS NZ :NH3+ 172:sc=-0.00811 (180deg=-0.0821) USER MOD Single : B 84 GLN : amide:sc= -0.0679 X(o=-0.068,f=0) USER MOD Single : B 88 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 MET CE :methyl -152:sc= 0 (180deg=-0.643) USER MOD Single : B 92 LYS NZ :NH3+ 171:sc= -0.0214 (180deg=-0.141) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.750 -2.610 -19.223 1.00 30.02 N ATOM 2 CA GLY A 1 0.448 -3.307 -19.744 1.00 63.30 C ATOM 3 C GLY A 1 1.516 -3.509 -18.674 1.00 51.22 C ATOM 4 O GLY A 1 2.667 -3.084 -18.850 1.00 42.23 O ATOM 0 H1 GLY A 1 -1.509 -2.646 -19.933 1.00 30.02 H new ATOM 0 H2 GLY A 1 -1.070 -3.076 -18.350 1.00 30.02 H new ATOM 0 H3 GLY A 1 -0.513 -1.618 -19.019 1.00 30.02 H new ATOM 0 HA2 GLY A 1 0.154 -4.276 -20.147 1.00 63.30 H new ATOM 0 HA3 GLY A 1 0.869 -2.733 -20.569 1.00 63.30 H new ATOM 10 N SER A 2 1.126 -4.149 -17.550 1.00 75.52 N ATOM 11 CA SER A 2 2.060 -4.562 -16.487 1.00 55.54 C ATOM 12 C SER A 2 2.853 -5.784 -16.975 1.00 34.04 C ATOM 13 O SER A 2 2.307 -6.886 -17.071 1.00 2.41 O ATOM 14 CB SER A 2 1.292 -4.899 -15.181 1.00 34.41 C ATOM 15 OG SER A 2 2.160 -5.411 -14.177 1.00 21.12 O ATOM 0 H SER A 2 0.154 -4.392 -17.357 1.00 75.52 H new ATOM 0 HA SER A 2 2.745 -3.743 -16.266 1.00 55.54 H new ATOM 0 HB2 SER A 2 0.795 -4.003 -14.810 1.00 34.41 H new ATOM 0 HB3 SER A 2 0.513 -5.630 -15.396 1.00 34.41 H new ATOM 0 HG SER A 2 2.047 -4.894 -13.352 1.00 21.12 H new ATOM 21 N MET A 3 4.120 -5.557 -17.334 1.00 73.34 N ATOM 22 CA MET A 3 5.012 -6.590 -17.894 1.00 11.41 C ATOM 23 C MET A 3 5.925 -7.144 -16.783 1.00 4.03 C ATOM 24 O MET A 3 5.563 -7.069 -15.604 1.00 53.43 O ATOM 25 CB MET A 3 5.817 -5.980 -19.076 1.00 63.51 C ATOM 26 CG MET A 3 4.940 -5.480 -20.228 1.00 34.04 C ATOM 27 SD MET A 3 5.901 -4.924 -21.655 1.00 44.04 S ATOM 28 CE MET A 3 6.623 -6.464 -22.235 1.00 73.21 C ATOM 0 H MET A 3 4.565 -4.643 -17.245 1.00 73.34 H new ATOM 0 HA MET A 3 4.434 -7.428 -18.283 1.00 11.41 H new ATOM 0 HB2 MET A 3 6.419 -5.151 -18.704 1.00 63.51 H new ATOM 0 HB3 MET A 3 6.509 -6.731 -19.458 1.00 63.51 H new ATOM 0 HG2 MET A 3 4.267 -6.279 -20.539 1.00 34.04 H new ATOM 0 HG3 MET A 3 4.317 -4.659 -19.874 1.00 34.04 H new ATOM 0 HE1 MET A 3 6.771 -6.413 -23.314 1.00 73.21 H new ATOM 0 HE2 MET A 3 7.583 -6.623 -21.745 1.00 73.21 H new ATOM 0 HE3 MET A 3 5.954 -7.291 -21.999 1.00 73.21 H new ATOM 38 N GLN A 4 7.067 -7.750 -17.180 1.00 24.13 N ATOM 39 CA GLN A 4 8.095 -8.280 -16.260 1.00 11.34 C ATOM 40 C GLN A 4 8.457 -7.259 -15.132 1.00 73.14 C ATOM 41 O GLN A 4 9.206 -6.297 -15.338 1.00 13.32 O ATOM 42 CB GLN A 4 9.365 -8.757 -17.054 1.00 15.05 C ATOM 43 CG GLN A 4 10.108 -7.667 -17.876 1.00 25.03 C ATOM 44 CD GLN A 4 9.355 -7.162 -19.118 1.00 40.21 C ATOM 45 OE1 GLN A 4 8.640 -7.909 -19.784 1.00 54.13 O ATOM 46 NE2 GLN A 4 9.483 -5.884 -19.421 1.00 11.01 N ATOM 0 H GLN A 4 7.302 -7.886 -18.163 1.00 24.13 H new ATOM 0 HA GLN A 4 7.672 -9.151 -15.760 1.00 11.34 H new ATOM 0 HB2 GLN A 4 10.070 -9.191 -16.345 1.00 15.05 H new ATOM 0 HB3 GLN A 4 9.065 -9.554 -17.734 1.00 15.05 H new ATOM 0 HG2 GLN A 4 10.312 -6.818 -17.224 1.00 25.03 H new ATOM 0 HG3 GLN A 4 11.072 -8.066 -18.192 1.00 25.03 H new ATOM 0 HE21 GLN A 4 10.082 -5.283 -18.854 1.00 11.01 H new ATOM 0 HE22 GLN A 4 8.983 -5.497 -20.222 1.00 11.01 H new ATOM 55 N ASN A 5 7.859 -7.479 -13.944 1.00 34.44 N ATOM 56 CA ASN A 5 8.018 -6.588 -12.760 1.00 12.45 C ATOM 57 C ASN A 5 9.381 -6.814 -12.068 1.00 51.23 C ATOM 58 O ASN A 5 9.796 -6.016 -11.218 1.00 42.21 O ATOM 59 CB ASN A 5 6.872 -6.828 -11.733 1.00 44.42 C ATOM 60 CG ASN A 5 5.479 -6.885 -12.362 1.00 51.11 C ATOM 61 OD1 ASN A 5 5.003 -7.952 -12.722 1.00 54.40 O ATOM 62 ND2 ASN A 5 4.841 -5.746 -12.544 1.00 14.43 N ATOM 0 H ASN A 5 7.250 -8.279 -13.771 1.00 34.44 H new ATOM 0 HA ASN A 5 7.973 -5.560 -13.118 1.00 12.45 H new ATOM 0 HB2 ASN A 5 7.060 -7.763 -11.205 1.00 44.42 H new ATOM 0 HB3 ASN A 5 6.892 -6.032 -10.989 1.00 44.42 H new ATOM 0 HD21 ASN A 5 3.926 -5.740 -12.995 1.00 14.43 H new ATOM 0 HD22 ASN A 5 5.262 -4.870 -12.234 1.00 14.43 H new ATOM 69 N THR A 6 10.060 -7.914 -12.449 1.00 45.14 N ATOM 70 CA THR A 6 11.350 -8.348 -11.875 1.00 44.45 C ATOM 71 C THR A 6 12.544 -7.471 -12.337 1.00 74.50 C ATOM 72 O THR A 6 13.682 -7.678 -11.893 1.00 2.12 O ATOM 73 CB THR A 6 11.592 -9.842 -12.259 1.00 65.05 C ATOM 74 OG1 THR A 6 11.517 -9.986 -13.689 1.00 52.15 O ATOM 75 CG2 THR A 6 10.553 -10.778 -11.612 1.00 42.44 C ATOM 0 H THR A 6 9.720 -8.539 -13.180 1.00 45.14 H new ATOM 0 HA THR A 6 11.291 -8.234 -10.793 1.00 44.45 H new ATOM 0 HB THR A 6 12.580 -10.121 -11.892 1.00 65.05 H new ATOM 0 HG1 THR A 6 11.670 -10.923 -13.932 1.00 52.15 H new ATOM 0 HG21 THR A 6 10.758 -11.808 -11.905 1.00 42.44 H new ATOM 0 HG22 THR A 6 10.611 -10.691 -10.527 1.00 42.44 H new ATOM 0 HG23 THR A 6 9.554 -10.498 -11.945 1.00 42.44 H new ATOM 83 N THR A 7 12.262 -6.512 -13.239 1.00 34.23 N ATOM 84 CA THR A 7 13.231 -5.496 -13.689 1.00 65.55 C ATOM 85 C THR A 7 13.495 -4.439 -12.594 1.00 72.11 C ATOM 86 O THR A 7 12.877 -4.463 -11.528 1.00 72.53 O ATOM 87 CB THR A 7 12.700 -4.772 -14.971 1.00 45.45 C ATOM 88 OG1 THR A 7 11.380 -4.245 -14.729 1.00 64.23 O ATOM 89 CG2 THR A 7 12.674 -5.710 -16.186 1.00 72.32 C ATOM 0 H THR A 7 11.347 -6.420 -13.680 1.00 34.23 H new ATOM 0 HA THR A 7 14.165 -6.014 -13.910 1.00 65.55 H new ATOM 0 HB THR A 7 13.385 -3.955 -15.197 1.00 45.45 H new ATOM 0 HG1 THR A 7 10.710 -4.925 -14.952 1.00 64.23 H new ATOM 0 HG21 THR A 7 12.299 -5.169 -17.055 1.00 72.32 H new ATOM 0 HG22 THR A 7 13.683 -6.070 -16.390 1.00 72.32 H new ATOM 0 HG23 THR A 7 12.022 -6.558 -15.977 1.00 72.32 H new ATOM 97 N HIS A 8 14.431 -3.519 -12.884 1.00 31.12 N ATOM 98 CA HIS A 8 14.672 -2.310 -12.064 1.00 30.43 C ATOM 99 C HIS A 8 14.203 -1.042 -12.809 1.00 4.21 C ATOM 100 O HIS A 8 14.604 0.073 -12.455 1.00 11.10 O ATOM 101 CB HIS A 8 16.166 -2.206 -11.654 1.00 72.21 C ATOM 102 CG HIS A 8 17.141 -2.069 -12.800 1.00 42.41 C ATOM 103 ND1 HIS A 8 17.429 -0.861 -13.402 1.00 62.03 N ATOM 104 CD2 HIS A 8 17.879 -2.994 -13.462 1.00 21.03 C ATOM 105 CE1 HIS A 8 18.293 -1.049 -14.376 1.00 71.41 C ATOM 106 NE2 HIS A 8 18.581 -2.331 -14.435 1.00 70.52 N ATOM 0 H HIS A 8 15.046 -3.589 -13.695 1.00 31.12 H new ATOM 0 HA HIS A 8 14.085 -2.395 -11.149 1.00 30.43 H new ATOM 0 HB2 HIS A 8 16.285 -1.348 -10.992 1.00 72.21 H new ATOM 0 HB3 HIS A 8 16.430 -3.093 -11.078 1.00 72.21 H new ATOM 0 HD2 HIS A 8 17.908 -4.055 -13.260 1.00 21.03 H new ATOM 0 HE1 HIS A 8 18.697 -0.281 -15.018 1.00 71.41 H new ATOM 0 HE2 HIS A 8 19.224 -2.763 -15.099 1.00 70.52 H new ATOM 115 N ASP A 9 13.337 -1.232 -13.833 1.00 2.44 N ATOM 116 CA ASP A 9 12.660 -0.127 -14.549 1.00 10.33 C ATOM 117 C ASP A 9 11.705 0.600 -13.587 1.00 74.13 C ATOM 118 O ASP A 9 11.521 1.820 -13.661 1.00 15.51 O ATOM 119 CB ASP A 9 11.891 -0.672 -15.782 1.00 74.13 C ATOM 120 CG ASP A 9 11.188 0.441 -16.588 1.00 61.13 C ATOM 121 OD1 ASP A 9 11.883 1.196 -17.303 1.00 63.12 O ATOM 122 OD2 ASP A 9 9.948 0.568 -16.517 1.00 50.12 O ATOM 0 H ASP A 9 13.089 -2.157 -14.185 1.00 2.44 H new ATOM 0 HA ASP A 9 13.407 0.582 -14.906 1.00 10.33 H new ATOM 0 HB2 ASP A 9 12.586 -1.202 -16.433 1.00 74.13 H new ATOM 0 HB3 ASP A 9 11.149 -1.398 -15.450 1.00 74.13 H new ATOM 127 N ASN A 10 11.091 -0.190 -12.698 1.00 53.41 N ATOM 128 CA ASN A 10 10.375 0.327 -11.528 1.00 70.03 C ATOM 129 C ASN A 10 11.391 0.668 -10.419 1.00 61.23 C ATOM 130 O ASN A 10 12.483 0.090 -10.351 1.00 71.44 O ATOM 131 CB ASN A 10 9.304 -0.683 -11.014 1.00 64.23 C ATOM 132 CG ASN A 10 9.865 -2.056 -10.603 1.00 35.05 C ATOM 133 OD1 ASN A 10 10.779 -2.583 -11.234 1.00 32.52 O ATOM 134 ND2 ASN A 10 9.342 -2.637 -9.531 1.00 65.13 N ATOM 0 H ASN A 10 11.077 -1.207 -12.771 1.00 53.41 H new ATOM 0 HA ASN A 10 9.841 1.231 -11.819 1.00 70.03 H new ATOM 0 HB2 ASN A 10 8.790 -0.244 -10.159 1.00 64.23 H new ATOM 0 HB3 ASN A 10 8.557 -0.829 -11.794 1.00 64.23 H new ATOM 0 HD21 ASN A 10 9.698 -3.539 -9.215 1.00 65.13 H new ATOM 0 HD22 ASN A 10 8.584 -2.181 -9.023 1.00 65.13 H new ATOM 141 N VAL A 11 11.016 1.607 -9.551 1.00 73.13 N ATOM 142 CA VAL A 11 11.861 2.093 -8.451 1.00 22.22 C ATOM 143 C VAL A 11 11.117 1.866 -7.150 1.00 13.10 C ATOM 144 O VAL A 11 9.884 1.881 -7.124 1.00 54.22 O ATOM 145 CB VAL A 11 12.260 3.614 -8.597 1.00 13.31 C ATOM 146 CG1 VAL A 11 13.250 3.814 -9.767 1.00 20.20 C ATOM 147 CG2 VAL A 11 11.011 4.522 -8.755 1.00 63.21 C ATOM 0 H VAL A 11 10.103 2.061 -9.589 1.00 73.13 H new ATOM 0 HA VAL A 11 12.798 1.537 -8.471 1.00 22.22 H new ATOM 0 HB VAL A 11 12.761 3.913 -7.676 1.00 13.31 H new ATOM 0 HG11 VAL A 11 13.510 4.870 -9.847 1.00 20.20 H new ATOM 0 HG12 VAL A 11 14.153 3.231 -9.584 1.00 20.20 H new ATOM 0 HG13 VAL A 11 12.787 3.483 -10.696 1.00 20.20 H new ATOM 0 HG21 VAL A 11 11.326 5.561 -8.853 1.00 63.21 H new ATOM 0 HG22 VAL A 11 10.456 4.226 -9.645 1.00 63.21 H new ATOM 0 HG23 VAL A 11 10.372 4.418 -7.878 1.00 63.21 H new ATOM 157 N ILE A 12 11.883 1.630 -6.091 1.00 33.13 N ATOM 158 CA ILE A 12 11.361 1.307 -4.765 1.00 0.12 C ATOM 159 C ILE A 12 11.481 2.573 -3.890 1.00 50.42 C ATOM 160 O ILE A 12 12.501 2.804 -3.240 1.00 74.41 O ATOM 161 CB ILE A 12 12.176 0.094 -4.150 1.00 42.14 C ATOM 162 CG1 ILE A 12 12.415 -1.033 -5.191 1.00 2.33 C ATOM 163 CG2 ILE A 12 11.473 -0.501 -2.933 1.00 44.44 C ATOM 164 CD1 ILE A 12 11.185 -1.804 -5.625 1.00 51.55 C ATOM 0 H ILE A 12 12.902 1.658 -6.129 1.00 33.13 H new ATOM 0 HA ILE A 12 10.316 1.003 -4.817 1.00 0.12 H new ATOM 0 HB ILE A 12 13.138 0.505 -3.844 1.00 42.14 H new ATOM 0 HG12 ILE A 12 12.875 -0.593 -6.076 1.00 2.33 H new ATOM 0 HG13 ILE A 12 13.135 -1.738 -4.775 1.00 2.33 H new ATOM 0 HG21 ILE A 12 12.063 -1.329 -2.541 1.00 44.44 H new ATOM 0 HG22 ILE A 12 11.366 0.264 -2.164 1.00 44.44 H new ATOM 0 HG23 ILE A 12 10.487 -0.864 -3.224 1.00 44.44 H new ATOM 0 HD11 ILE A 12 11.470 -2.564 -6.352 1.00 51.55 H new ATOM 0 HD12 ILE A 12 10.731 -2.283 -4.758 1.00 51.55 H new ATOM 0 HD13 ILE A 12 10.468 -1.120 -6.078 1.00 51.55 H new ATOM 176 N LEU A 13 10.443 3.415 -3.919 1.00 73.43 N ATOM 177 CA LEU A 13 10.464 4.734 -3.262 1.00 54.20 C ATOM 178 C LEU A 13 10.012 4.598 -1.807 1.00 54.23 C ATOM 179 O LEU A 13 8.816 4.544 -1.525 1.00 40.12 O ATOM 180 CB LEU A 13 9.546 5.730 -4.028 1.00 72.11 C ATOM 181 CG LEU A 13 9.944 6.007 -5.509 1.00 21.21 C ATOM 182 CD1 LEU A 13 8.920 6.922 -6.204 1.00 32.40 C ATOM 183 CD2 LEU A 13 11.369 6.591 -5.604 1.00 71.35 C ATOM 0 H LEU A 13 9.566 3.206 -4.396 1.00 73.43 H new ATOM 0 HA LEU A 13 11.482 5.123 -3.277 1.00 54.20 H new ATOM 0 HB2 LEU A 13 8.527 5.344 -4.010 1.00 72.11 H new ATOM 0 HB3 LEU A 13 9.538 6.677 -3.489 1.00 72.11 H new ATOM 0 HG LEU A 13 9.941 5.052 -6.034 1.00 21.21 H new ATOM 0 HD11 LEU A 13 9.228 7.095 -7.235 1.00 32.40 H new ATOM 0 HD12 LEU A 13 7.940 6.445 -6.193 1.00 32.40 H new ATOM 0 HD13 LEU A 13 8.866 7.874 -5.677 1.00 32.40 H new ATOM 0 HD21 LEU A 13 11.618 6.774 -6.649 1.00 71.35 H new ATOM 0 HD22 LEU A 13 11.415 7.529 -5.051 1.00 71.35 H new ATOM 0 HD23 LEU A 13 12.081 5.883 -5.179 1.00 71.35 H new ATOM 195 N GLU A 14 10.983 4.525 -0.886 1.00 23.22 N ATOM 196 CA GLU A 14 10.689 4.395 0.541 1.00 21.10 C ATOM 197 C GLU A 14 10.504 5.767 1.174 1.00 13.14 C ATOM 198 O GLU A 14 11.395 6.612 1.141 1.00 63.33 O ATOM 199 CB GLU A 14 11.794 3.625 1.295 1.00 22.23 C ATOM 200 CG GLU A 14 13.237 4.085 1.049 1.00 72.55 C ATOM 201 CD GLU A 14 14.225 3.518 2.077 1.00 64.22 C ATOM 202 OE1 GLU A 14 14.591 2.333 1.968 1.00 61.32 O ATOM 203 OE2 GLU A 14 14.604 4.247 3.025 1.00 25.35 O ATOM 0 H GLU A 14 11.978 4.554 -1.108 1.00 23.22 H new ATOM 0 HA GLU A 14 9.764 3.824 0.624 1.00 21.10 H new ATOM 0 HB2 GLU A 14 11.591 3.695 2.364 1.00 22.23 H new ATOM 0 HB3 GLU A 14 11.721 2.571 1.025 1.00 22.23 H new ATOM 0 HG2 GLU A 14 13.545 3.780 0.049 1.00 72.55 H new ATOM 0 HG3 GLU A 14 13.276 5.174 1.076 1.00 72.55 H new ATOM 210 N LEU A 15 9.330 5.986 1.741 1.00 11.13 N ATOM 211 CA LEU A 15 9.060 7.143 2.577 1.00 4.35 C ATOM 212 C LEU A 15 8.611 6.654 3.954 1.00 35.14 C ATOM 213 O LEU A 15 7.642 5.899 4.077 1.00 33.42 O ATOM 214 CB LEU A 15 8.062 8.130 1.875 1.00 53.23 C ATOM 215 CG LEU A 15 6.974 7.506 0.922 1.00 23.10 C ATOM 216 CD1 LEU A 15 5.733 6.997 1.682 1.00 21.31 C ATOM 217 CD2 LEU A 15 6.579 8.483 -0.207 1.00 55.05 C ATOM 0 H LEU A 15 8.531 5.361 1.633 1.00 11.13 H new ATOM 0 HA LEU A 15 9.963 7.735 2.725 1.00 4.35 H new ATOM 0 HB2 LEU A 15 7.546 8.695 2.651 1.00 53.23 H new ATOM 0 HB3 LEU A 15 8.647 8.845 1.296 1.00 53.23 H new ATOM 0 HG LEU A 15 7.437 6.632 0.463 1.00 23.10 H new ATOM 0 HD11 LEU A 15 5.019 6.578 0.973 1.00 21.31 H new ATOM 0 HD12 LEU A 15 6.032 6.227 2.393 1.00 21.31 H new ATOM 0 HD13 LEU A 15 5.269 7.825 2.218 1.00 21.31 H new ATOM 0 HD21 LEU A 15 5.827 8.018 -0.844 1.00 55.05 H new ATOM 0 HD22 LEU A 15 6.172 9.396 0.228 1.00 55.05 H new ATOM 0 HD23 LEU A 15 7.459 8.726 -0.803 1.00 55.05 H new ATOM 229 N THR A 16 9.380 7.045 4.979 1.00 54.54 N ATOM 230 CA THR A 16 9.055 6.761 6.364 1.00 42.21 C ATOM 231 C THR A 16 8.102 7.854 6.808 1.00 75.53 C ATOM 232 O THR A 16 8.502 9.003 6.974 1.00 14.43 O ATOM 233 CB THR A 16 10.317 6.757 7.293 1.00 3.41 C ATOM 234 OG1 THR A 16 11.248 5.758 6.857 1.00 40.31 O ATOM 235 CG2 THR A 16 9.937 6.500 8.769 1.00 64.12 C ATOM 0 H THR A 16 10.247 7.569 4.859 1.00 54.54 H new ATOM 0 HA THR A 16 8.618 5.765 6.439 1.00 42.21 H new ATOM 0 HB THR A 16 10.777 7.743 7.227 1.00 3.41 H new ATOM 0 HG1 THR A 16 12.033 5.765 7.443 1.00 40.31 H new ATOM 0 HG21 THR A 16 10.838 6.504 9.383 1.00 64.12 H new ATOM 0 HG22 THR A 16 9.260 7.283 9.112 1.00 64.12 H new ATOM 0 HG23 THR A 16 9.444 5.531 8.855 1.00 64.12 H new ATOM 243 N VAL A 17 6.825 7.500 6.880 1.00 33.20 N ATOM 244 CA VAL A 17 5.764 8.395 7.321 1.00 11.22 C ATOM 245 C VAL A 17 5.384 8.053 8.754 1.00 65.23 C ATOM 246 O VAL A 17 5.624 6.950 9.219 1.00 72.24 O ATOM 247 CB VAL A 17 4.492 8.320 6.397 1.00 45.30 C ATOM 248 CG1 VAL A 17 4.887 8.382 4.905 1.00 40.44 C ATOM 249 CG2 VAL A 17 3.594 7.094 6.712 1.00 52.22 C ATOM 0 H VAL A 17 6.493 6.569 6.630 1.00 33.20 H new ATOM 0 HA VAL A 17 6.143 9.415 7.261 1.00 11.22 H new ATOM 0 HB VAL A 17 3.885 9.198 6.617 1.00 45.30 H new ATOM 0 HG11 VAL A 17 3.990 8.328 4.289 1.00 40.44 H new ATOM 0 HG12 VAL A 17 5.409 9.318 4.705 1.00 40.44 H new ATOM 0 HG13 VAL A 17 5.542 7.544 4.667 1.00 40.44 H new ATOM 0 HG21 VAL A 17 2.732 7.093 6.045 1.00 52.22 H new ATOM 0 HG22 VAL A 17 4.166 6.177 6.567 1.00 52.22 H new ATOM 0 HG23 VAL A 17 3.252 7.149 7.746 1.00 52.22 H new ATOM 259 N ARG A 18 4.855 9.025 9.455 1.00 12.01 N ATOM 260 CA ARG A 18 4.109 8.788 10.700 1.00 11.13 C ATOM 261 C ARG A 18 2.633 8.587 10.345 1.00 14.43 C ATOM 262 O ARG A 18 2.186 9.124 9.322 1.00 15.24 O ATOM 263 CB ARG A 18 4.334 9.953 11.684 1.00 10.14 C ATOM 264 CG ARG A 18 4.283 11.367 11.054 1.00 12.32 C ATOM 265 CD ARG A 18 4.735 12.468 12.025 1.00 12.50 C ATOM 266 NE ARG A 18 3.840 12.578 13.190 1.00 65.54 N ATOM 267 CZ ARG A 18 3.503 13.722 13.809 1.00 34.43 C ATOM 268 NH1 ARG A 18 3.975 14.897 13.389 1.00 42.24 N ATOM 269 NH2 ARG A 18 2.681 13.674 14.842 1.00 43.05 N ATOM 0 H ARG A 18 4.921 10.008 9.192 1.00 12.01 H new ATOM 0 HA ARG A 18 4.464 7.889 11.204 1.00 11.13 H new ATOM 0 HB2 ARG A 18 3.580 9.895 12.469 1.00 10.14 H new ATOM 0 HB3 ARG A 18 5.304 9.821 12.163 1.00 10.14 H new ATOM 0 HG2 ARG A 18 4.917 11.388 10.168 1.00 12.32 H new ATOM 0 HG3 ARG A 18 3.266 11.576 10.723 1.00 12.32 H new ATOM 0 HD2 ARG A 18 5.749 12.257 12.365 1.00 12.50 H new ATOM 0 HD3 ARG A 18 4.767 13.423 11.501 1.00 12.50 H new ATOM 0 HE ARG A 18 3.443 11.713 13.557 1.00 65.54 H new ATOM 0 HH11 ARG A 18 4.602 14.937 12.586 1.00 42.24 H new ATOM 0 HH12 ARG A 18 3.708 15.755 13.871 1.00 42.24 H new ATOM 0 HH21 ARG A 18 2.312 12.777 15.159 1.00 43.05 H new ATOM 0 HH22 ARG A 18 2.415 14.533 15.323 1.00 43.05 H new ATOM 283 N ASN A 19 1.895 7.788 11.160 1.00 51.51 N ATOM 284 CA ASN A 19 0.483 7.424 10.870 1.00 24.21 C ATOM 285 C ASN A 19 -0.456 8.644 11.058 1.00 44.23 C ATOM 286 O ASN A 19 -1.170 8.772 12.054 1.00 72.24 O ATOM 287 CB ASN A 19 0.011 6.178 11.703 1.00 62.13 C ATOM 288 CG ASN A 19 0.678 4.851 11.275 1.00 65.45 C ATOM 289 OD1 ASN A 19 1.864 4.827 10.936 1.00 31.44 O ATOM 290 ND2 ASN A 19 -0.093 3.754 11.219 1.00 51.01 N ATOM 0 H ASN A 19 2.256 7.383 12.024 1.00 51.51 H new ATOM 0 HA ASN A 19 0.429 7.129 9.822 1.00 24.21 H new ATOM 0 HB2 ASN A 19 0.223 6.356 12.757 1.00 62.13 H new ATOM 0 HB3 ASN A 19 -1.070 6.077 11.608 1.00 62.13 H new ATOM 0 HD21 ASN A 19 0.299 2.872 10.890 1.00 51.01 H new ATOM 0 HD22 ASN A 19 -1.071 3.803 11.506 1.00 51.01 H new ATOM 297 N HIS A 20 -0.386 9.547 10.069 1.00 71.41 N ATOM 298 CA HIS A 20 -1.183 10.778 9.966 1.00 15.43 C ATOM 299 C HIS A 20 -2.566 10.417 9.370 1.00 52.11 C ATOM 300 O HIS A 20 -2.649 9.432 8.622 1.00 30.12 O ATOM 301 CB HIS A 20 -0.386 11.780 9.057 1.00 73.15 C ATOM 302 CG HIS A 20 -1.019 13.127 8.803 1.00 13.41 C ATOM 303 ND1 HIS A 20 -0.775 14.234 9.589 1.00 1.11 N ATOM 304 CD2 HIS A 20 -1.871 13.548 7.833 1.00 32.21 C ATOM 305 CE1 HIS A 20 -1.437 15.266 9.109 1.00 25.05 C ATOM 306 NE2 HIS A 20 -2.109 14.876 8.044 1.00 52.43 N ATOM 0 H HIS A 20 0.256 9.434 9.285 1.00 71.41 H new ATOM 0 HA HIS A 20 -1.353 11.247 10.935 1.00 15.43 H new ATOM 0 HB2 HIS A 20 0.591 11.945 9.511 1.00 73.15 H new ATOM 0 HB3 HIS A 20 -0.213 11.300 8.094 1.00 73.15 H new ATOM 0 HD2 HIS A 20 -2.285 12.943 7.040 1.00 32.21 H new ATOM 0 HE1 HIS A 20 -1.431 16.265 9.519 1.00 25.05 H new ATOM 0 HE2 HIS A 20 -2.709 15.469 7.471 1.00 52.43 H new ATOM 315 N PRO A 21 -3.674 11.161 9.729 1.00 11.21 N ATOM 316 CA PRO A 21 -5.025 10.968 9.132 1.00 62.24 C ATOM 317 C PRO A 21 -5.019 10.696 7.601 1.00 21.10 C ATOM 318 O PRO A 21 -4.843 11.616 6.791 1.00 35.22 O ATOM 319 CB PRO A 21 -5.723 12.303 9.476 1.00 52.55 C ATOM 320 CG PRO A 21 -5.163 12.670 10.822 1.00 72.14 C ATOM 321 CD PRO A 21 -3.721 12.188 10.818 1.00 10.34 C ATOM 0 HA PRO A 21 -5.523 10.081 9.523 1.00 62.24 H new ATOM 0 HB2 PRO A 21 -5.507 13.069 8.732 1.00 52.55 H new ATOM 0 HB3 PRO A 21 -6.806 12.189 9.512 1.00 52.55 H new ATOM 0 HG2 PRO A 21 -5.215 13.746 10.986 1.00 72.14 H new ATOM 0 HG3 PRO A 21 -5.731 12.197 11.623 1.00 72.14 H new ATOM 0 HD2 PRO A 21 -3.029 13.007 10.622 1.00 10.34 H new ATOM 0 HD3 PRO A 21 -3.443 11.759 11.781 1.00 10.34 H new ATOM 329 N GLY A 22 -5.149 9.394 7.258 1.00 72.21 N ATOM 330 CA GLY A 22 -5.239 8.923 5.874 1.00 1.14 C ATOM 331 C GLY A 22 -4.017 9.257 5.017 1.00 40.42 C ATOM 332 O GLY A 22 -4.164 9.897 3.980 1.00 24.41 O ATOM 0 H GLY A 22 -5.194 8.642 7.946 1.00 72.21 H new ATOM 0 HA2 GLY A 22 -5.381 7.842 5.878 1.00 1.14 H new ATOM 0 HA3 GLY A 22 -6.124 9.359 5.411 1.00 1.14 H new ATOM 336 N VAL A 23 -2.806 8.825 5.453 1.00 1.13 N ATOM 337 CA VAL A 23 -1.554 9.031 4.672 1.00 71.13 C ATOM 338 C VAL A 23 -1.666 8.428 3.262 1.00 42.13 C ATOM 339 O VAL A 23 -1.224 9.020 2.277 1.00 4.02 O ATOM 340 CB VAL A 23 -0.283 8.387 5.350 1.00 64.10 C ATOM 341 CG1 VAL A 23 0.992 8.664 4.512 1.00 55.31 C ATOM 342 CG2 VAL A 23 -0.093 8.868 6.794 1.00 53.45 C ATOM 0 H VAL A 23 -2.668 8.334 6.336 1.00 1.13 H new ATOM 0 HA VAL A 23 -1.430 10.113 4.630 1.00 71.13 H new ATOM 0 HB VAL A 23 -0.451 7.311 5.384 1.00 64.10 H new ATOM 0 HG11 VAL A 23 1.854 8.210 5.000 1.00 55.31 H new ATOM 0 HG12 VAL A 23 0.873 8.237 3.516 1.00 55.31 H new ATOM 0 HG13 VAL A 23 1.147 9.740 4.430 1.00 55.31 H new ATOM 0 HG21 VAL A 23 0.794 8.399 7.220 1.00 53.45 H new ATOM 0 HG22 VAL A 23 0.030 9.951 6.804 1.00 53.45 H new ATOM 0 HG23 VAL A 23 -0.967 8.597 7.386 1.00 53.45 H new ATOM 352 N MET A 24 -2.264 7.235 3.196 1.00 63.34 N ATOM 353 CA MET A 24 -2.282 6.419 1.980 1.00 70.34 C ATOM 354 C MET A 24 -3.073 7.067 0.831 1.00 35.13 C ATOM 355 O MET A 24 -2.741 6.846 -0.327 1.00 54.43 O ATOM 356 CB MET A 24 -2.787 4.997 2.296 1.00 53.11 C ATOM 357 CG MET A 24 -1.825 4.176 3.172 1.00 24.32 C ATOM 358 SD MET A 24 -0.145 4.053 2.481 1.00 53.41 S ATOM 359 CE MET A 24 -0.424 3.378 0.837 1.00 54.02 C ATOM 0 H MET A 24 -2.749 6.808 3.985 1.00 63.34 H new ATOM 0 HA MET A 24 -1.254 6.349 1.623 1.00 70.34 H new ATOM 0 HB2 MET A 24 -3.751 5.068 2.800 1.00 53.11 H new ATOM 0 HB3 MET A 24 -2.955 4.465 1.360 1.00 53.11 H new ATOM 0 HG2 MET A 24 -1.770 4.629 4.162 1.00 24.32 H new ATOM 0 HG3 MET A 24 -2.231 3.173 3.302 1.00 24.32 H new ATOM 0 HE1 MET A 24 0.369 2.670 0.595 1.00 54.02 H new ATOM 0 HE2 MET A 24 -1.386 2.867 0.812 1.00 54.02 H new ATOM 0 HE3 MET A 24 -0.424 4.187 0.107 1.00 54.02 H new ATOM 369 N THR A 25 -4.091 7.877 1.148 1.00 2.30 N ATOM 370 CA THR A 25 -4.833 8.636 0.120 1.00 4.23 C ATOM 371 C THR A 25 -3.981 9.806 -0.415 1.00 25.41 C ATOM 372 O THR A 25 -4.123 10.203 -1.579 1.00 60.22 O ATOM 373 CB THR A 25 -6.190 9.161 0.677 1.00 70.00 C ATOM 374 OG1 THR A 25 -5.959 9.882 1.896 1.00 73.54 O ATOM 375 CG2 THR A 25 -7.183 8.009 0.927 1.00 5.44 C ATOM 0 H THR A 25 -4.422 8.027 2.101 1.00 2.30 H new ATOM 0 HA THR A 25 -5.047 7.957 -0.705 1.00 4.23 H new ATOM 0 HB THR A 25 -6.631 9.823 -0.068 1.00 70.00 H new ATOM 0 HG1 THR A 25 -6.812 10.214 2.246 1.00 73.54 H new ATOM 0 HG21 THR A 25 -8.118 8.413 1.315 1.00 5.44 H new ATOM 0 HG22 THR A 25 -7.375 7.484 -0.009 1.00 5.44 H new ATOM 0 HG23 THR A 25 -6.759 7.314 1.652 1.00 5.44 H new ATOM 383 N HIS A 26 -3.090 10.338 0.451 1.00 14.54 N ATOM 384 CA HIS A 26 -2.151 11.415 0.084 1.00 1.55 C ATOM 385 C HIS A 26 -1.102 10.865 -0.900 1.00 63.25 C ATOM 386 O HIS A 26 -0.911 11.419 -1.996 1.00 62.20 O ATOM 387 CB HIS A 26 -1.439 12.019 1.339 1.00 31.04 C ATOM 388 CG HIS A 26 -2.352 12.632 2.377 1.00 41.21 C ATOM 389 ND1 HIS A 26 -1.896 13.462 3.374 1.00 41.21 N ATOM 390 CD2 HIS A 26 -3.681 12.508 2.594 1.00 73.34 C ATOM 391 CE1 HIS A 26 -2.898 13.814 4.153 1.00 71.51 C ATOM 392 NE2 HIS A 26 -3.991 13.249 3.699 1.00 32.22 N ATOM 0 H HIS A 26 -3.004 10.032 1.420 1.00 14.54 H new ATOM 0 HA HIS A 26 -2.722 12.216 -0.387 1.00 1.55 H new ATOM 0 HB2 HIS A 26 -0.853 11.233 1.815 1.00 31.04 H new ATOM 0 HB3 HIS A 26 -0.736 12.782 1.004 1.00 31.04 H new ATOM 0 HD1 HIS A 26 -0.928 13.760 3.492 1.00 41.21 H new ATOM 0 HD2 HIS A 26 -4.372 11.928 2.001 1.00 73.34 H new ATOM 0 HE1 HIS A 26 -2.831 14.458 5.018 1.00 71.51 H new ATOM 401 N VAL A 27 -0.458 9.737 -0.516 1.00 62.04 N ATOM 402 CA VAL A 27 0.624 9.137 -1.314 1.00 45.41 C ATOM 403 C VAL A 27 0.082 8.671 -2.682 1.00 74.13 C ATOM 404 O VAL A 27 0.576 9.106 -3.728 1.00 71.41 O ATOM 405 CB VAL A 27 1.404 7.977 -0.545 1.00 62.42 C ATOM 406 CG1 VAL A 27 1.870 8.448 0.853 1.00 24.12 C ATOM 407 CG2 VAL A 27 0.609 6.660 -0.431 1.00 12.41 C ATOM 0 H VAL A 27 -0.673 9.229 0.342 1.00 62.04 H new ATOM 0 HA VAL A 27 1.370 9.913 -1.486 1.00 45.41 H new ATOM 0 HB VAL A 27 2.276 7.756 -1.160 1.00 62.42 H new ATOM 0 HG11 VAL A 27 2.398 7.636 1.353 1.00 24.12 H new ATOM 0 HG12 VAL A 27 2.537 9.303 0.745 1.00 24.12 H new ATOM 0 HG13 VAL A 27 1.003 8.737 1.447 1.00 24.12 H new ATOM 0 HG21 VAL A 27 1.205 5.920 0.104 1.00 12.41 H new ATOM 0 HG22 VAL A 27 -0.318 6.841 0.113 1.00 12.41 H new ATOM 0 HG23 VAL A 27 0.378 6.287 -1.429 1.00 12.41 H new ATOM 417 N CYS A 28 -1.029 7.906 -2.651 1.00 61.25 N ATOM 418 CA CYS A 28 -1.679 7.362 -3.850 1.00 41.32 C ATOM 419 C CYS A 28 -2.197 8.490 -4.761 1.00 1.35 C ATOM 420 O CYS A 28 -2.287 8.306 -5.974 1.00 50.23 O ATOM 421 CB CYS A 28 -2.812 6.408 -3.436 1.00 34.22 C ATOM 422 SG CYS A 28 -2.231 4.994 -2.474 1.00 33.43 S ATOM 0 H CYS A 28 -1.500 7.649 -1.783 1.00 61.25 H new ATOM 0 HA CYS A 28 -0.944 6.799 -4.426 1.00 41.32 H new ATOM 0 HB2 CYS A 28 -3.548 6.960 -2.851 1.00 34.22 H new ATOM 0 HB3 CYS A 28 -3.320 6.047 -4.330 1.00 34.22 H new ATOM 0 HG CYS A 28 -2.204 5.309 -1.213 1.00 33.43 H new ATOM 428 N GLY A 29 -2.527 9.651 -4.144 1.00 75.34 N ATOM 429 CA GLY A 29 -2.864 10.871 -4.878 1.00 71.23 C ATOM 430 C GLY A 29 -1.733 11.333 -5.800 1.00 61.41 C ATOM 431 O GLY A 29 -1.966 11.568 -6.987 1.00 34.43 O ATOM 0 H GLY A 29 -2.564 9.756 -3.130 1.00 75.34 H new ATOM 0 HA2 GLY A 29 -3.763 10.698 -5.470 1.00 71.23 H new ATOM 0 HA3 GLY A 29 -3.097 11.665 -4.169 1.00 71.23 H new ATOM 435 N LEU A 30 -0.494 11.407 -5.251 1.00 51.41 N ATOM 436 CA LEU A 30 0.712 11.854 -6.009 1.00 45.00 C ATOM 437 C LEU A 30 1.064 10.907 -7.184 1.00 1.24 C ATOM 438 O LEU A 30 1.433 11.369 -8.274 1.00 2.43 O ATOM 439 CB LEU A 30 1.952 12.042 -5.072 1.00 45.24 C ATOM 440 CG LEU A 30 2.057 13.422 -4.333 1.00 43.24 C ATOM 441 CD1 LEU A 30 2.047 14.606 -5.332 1.00 51.13 C ATOM 442 CD2 LEU A 30 0.969 13.590 -3.246 1.00 35.43 C ATOM 0 H LEU A 30 -0.299 11.162 -4.280 1.00 51.41 H new ATOM 0 HA LEU A 30 0.453 12.823 -6.436 1.00 45.00 H new ATOM 0 HB2 LEU A 30 1.938 11.251 -4.322 1.00 45.24 H new ATOM 0 HB3 LEU A 30 2.855 11.902 -5.666 1.00 45.24 H new ATOM 0 HG LEU A 30 3.019 13.430 -3.821 1.00 43.24 H new ATOM 0 HD11 LEU A 30 2.121 15.545 -4.784 1.00 51.13 H new ATOM 0 HD12 LEU A 30 2.894 14.515 -6.012 1.00 51.13 H new ATOM 0 HD13 LEU A 30 1.119 14.592 -5.904 1.00 51.13 H new ATOM 0 HD21 LEU A 30 1.084 14.561 -2.763 1.00 35.43 H new ATOM 0 HD22 LEU A 30 -0.017 13.528 -3.706 1.00 35.43 H new ATOM 0 HD23 LEU A 30 1.073 12.800 -2.502 1.00 35.43 H new ATOM 454 N PHE A 31 0.953 9.596 -6.958 1.00 31.02 N ATOM 455 CA PHE A 31 1.322 8.580 -7.976 1.00 41.41 C ATOM 456 C PHE A 31 0.230 8.417 -9.055 1.00 53.30 C ATOM 457 O PHE A 31 0.539 8.108 -10.213 1.00 11.22 O ATOM 458 CB PHE A 31 1.652 7.234 -7.282 1.00 32.42 C ATOM 459 CG PHE A 31 2.916 7.309 -6.414 1.00 13.14 C ATOM 460 CD1 PHE A 31 2.859 7.746 -5.094 1.00 14.50 C ATOM 461 CD2 PHE A 31 4.164 7.000 -6.937 1.00 72.30 C ATOM 462 CE1 PHE A 31 3.996 7.856 -4.318 1.00 63.31 C ATOM 463 CE2 PHE A 31 5.303 7.115 -6.166 1.00 35.22 C ATOM 464 CZ PHE A 31 5.222 7.549 -4.860 1.00 71.42 C ATOM 0 H PHE A 31 0.611 9.202 -6.082 1.00 31.02 H new ATOM 0 HA PHE A 31 2.214 8.928 -8.497 1.00 41.41 H new ATOM 0 HB2 PHE A 31 0.808 6.933 -6.662 1.00 32.42 H new ATOM 0 HB3 PHE A 31 1.782 6.461 -8.040 1.00 32.42 H new ATOM 0 HD1 PHE A 31 1.902 8.005 -4.666 1.00 14.50 H new ATOM 0 HD2 PHE A 31 4.245 6.665 -7.961 1.00 72.30 H new ATOM 0 HE1 PHE A 31 3.923 8.181 -3.291 1.00 63.31 H new ATOM 0 HE2 PHE A 31 6.264 6.863 -6.589 1.00 35.22 H new ATOM 0 HZ PHE A 31 6.118 7.648 -4.265 1.00 71.42 H new ATOM 474 N ALA A 32 -1.040 8.656 -8.678 1.00 62.01 N ATOM 475 CA ALA A 32 -2.187 8.569 -9.611 1.00 24.33 C ATOM 476 C ALA A 32 -2.232 9.775 -10.572 1.00 5.32 C ATOM 477 O ALA A 32 -2.603 9.624 -11.741 1.00 75.20 O ATOM 478 CB ALA A 32 -3.509 8.457 -8.830 1.00 53.21 C ATOM 0 H ALA A 32 -1.302 8.913 -7.726 1.00 62.01 H new ATOM 0 HA ALA A 32 -2.054 7.670 -10.213 1.00 24.33 H new ATOM 0 HB1 ALA A 32 -4.341 8.394 -9.531 1.00 53.21 H new ATOM 0 HB2 ALA A 32 -3.490 7.562 -8.208 1.00 53.21 H new ATOM 0 HB3 ALA A 32 -3.633 9.336 -8.197 1.00 53.21 H new ATOM 484 N ARG A 33 -1.836 10.963 -10.068 1.00 75.52 N ATOM 485 CA ARG A 33 -1.903 12.236 -10.836 1.00 64.10 C ATOM 486 C ARG A 33 -0.709 12.401 -11.802 1.00 21.22 C ATOM 487 O ARG A 33 -0.663 13.379 -12.559 1.00 11.34 O ATOM 488 CB ARG A 33 -1.965 13.444 -9.868 1.00 71.22 C ATOM 489 CG ARG A 33 -0.681 13.660 -9.048 1.00 30.04 C ATOM 490 CD ARG A 33 -0.791 14.807 -8.035 1.00 40.25 C ATOM 491 NE ARG A 33 -0.993 16.101 -8.700 1.00 64.34 N ATOM 492 CZ ARG A 33 -0.789 17.304 -8.147 1.00 13.04 C ATOM 493 NH1 ARG A 33 -0.366 17.419 -6.893 1.00 64.04 N ATOM 494 NH2 ARG A 33 -1.033 18.391 -8.862 1.00 12.55 N ATOM 0 H ARG A 33 -1.463 11.073 -9.125 1.00 75.52 H new ATOM 0 HA ARG A 33 -2.811 12.200 -11.438 1.00 64.10 H new ATOM 0 HB2 ARG A 33 -2.172 14.346 -10.443 1.00 71.22 H new ATOM 0 HB3 ARG A 33 -2.801 13.304 -9.183 1.00 71.22 H new ATOM 0 HG2 ARG A 33 -0.438 12.739 -8.518 1.00 30.04 H new ATOM 0 HG3 ARG A 33 0.146 13.864 -9.728 1.00 30.04 H new ATOM 0 HD2 ARG A 33 -1.621 14.614 -7.355 1.00 40.25 H new ATOM 0 HD3 ARG A 33 0.115 14.846 -7.430 1.00 40.25 H new ATOM 0 HE ARG A 33 -1.317 16.082 -9.667 1.00 64.34 H new ATOM 0 HH11 ARG A 33 -0.191 16.583 -6.335 1.00 64.04 H new ATOM 0 HH12 ARG A 33 -0.216 18.343 -6.488 1.00 64.04 H new ATOM 0 HH21 ARG A 33 -1.372 18.306 -9.820 1.00 12.55 H new ATOM 0 HH22 ARG A 33 -0.882 19.314 -8.455 1.00 12.55 H new ATOM 508 N ARG A 34 0.265 11.469 -11.749 1.00 73.15 N ATOM 509 CA ARG A 34 1.380 11.428 -12.695 1.00 34.30 C ATOM 510 C ARG A 34 0.825 11.108 -14.099 1.00 51.21 C ATOM 511 O ARG A 34 0.732 11.990 -14.955 1.00 72.03 O ATOM 512 CB ARG A 34 2.419 10.358 -12.237 1.00 71.22 C ATOM 513 CG ARG A 34 3.490 9.984 -13.300 1.00 1.03 C ATOM 514 CD ARG A 34 4.117 8.605 -13.040 1.00 14.20 C ATOM 515 NE ARG A 34 4.767 8.073 -14.241 1.00 33.55 N ATOM 516 CZ ARG A 34 5.080 6.788 -14.437 1.00 52.32 C ATOM 517 NH1 ARG A 34 4.788 5.877 -13.516 1.00 1.13 N ATOM 518 NH2 ARG A 34 5.704 6.425 -15.547 1.00 15.42 N ATOM 0 H ARG A 34 0.293 10.729 -11.048 1.00 73.15 H new ATOM 0 HA ARG A 34 1.888 12.392 -12.729 1.00 34.30 H new ATOM 0 HB2 ARG A 34 2.927 10.725 -11.345 1.00 71.22 H new ATOM 0 HB3 ARG A 34 1.883 9.453 -11.949 1.00 71.22 H new ATOM 0 HG2 ARG A 34 3.034 9.992 -14.290 1.00 1.03 H new ATOM 0 HG3 ARG A 34 4.274 10.742 -13.304 1.00 1.03 H new ATOM 0 HD2 ARG A 34 4.847 8.683 -12.234 1.00 14.20 H new ATOM 0 HD3 ARG A 34 3.346 7.911 -12.705 1.00 14.20 H new ATOM 0 HE ARG A 34 4.998 8.733 -14.984 1.00 33.55 H new ATOM 0 HH11 ARG A 34 4.322 6.156 -12.653 1.00 1.13 H new ATOM 0 HH12 ARG A 34 5.030 4.898 -13.672 1.00 1.13 H new ATOM 0 HH21 ARG A 34 5.944 7.125 -16.249 1.00 15.42 H new ATOM 0 HH22 ARG A 34 5.944 5.446 -15.700 1.00 15.42 H new ATOM 532 N ALA A 35 0.418 9.838 -14.272 1.00 21.20 N ATOM 533 CA ALA A 35 -0.110 9.281 -15.532 1.00 62.41 C ATOM 534 C ALA A 35 -0.363 7.795 -15.312 1.00 23.21 C ATOM 535 O ALA A 35 -1.472 7.292 -15.501 1.00 11.10 O ATOM 536 CB ALA A 35 0.858 9.487 -16.718 1.00 4.32 C ATOM 0 H ALA A 35 0.448 9.151 -13.519 1.00 21.20 H new ATOM 0 HA ALA A 35 -1.031 9.804 -15.791 1.00 62.41 H new ATOM 0 HB1 ALA A 35 0.423 9.059 -17.621 1.00 4.32 H new ATOM 0 HB2 ALA A 35 1.029 10.553 -16.867 1.00 4.32 H new ATOM 0 HB3 ALA A 35 1.806 8.994 -16.504 1.00 4.32 H new ATOM 542 N PHE A 36 0.708 7.107 -14.890 1.00 32.31 N ATOM 543 CA PHE A 36 0.686 5.674 -14.578 1.00 52.01 C ATOM 544 C PHE A 36 0.582 5.507 -13.061 1.00 32.04 C ATOM 545 O PHE A 36 1.262 6.218 -12.309 1.00 53.22 O ATOM 546 CB PHE A 36 1.962 4.976 -15.128 1.00 31.34 C ATOM 547 CG PHE A 36 2.034 3.459 -14.882 1.00 44.32 C ATOM 548 CD1 PHE A 36 1.153 2.586 -15.529 1.00 41.15 C ATOM 549 CD2 PHE A 36 2.982 2.906 -14.016 1.00 63.42 C ATOM 550 CE1 PHE A 36 1.221 1.218 -15.316 1.00 4.35 C ATOM 551 CE2 PHE A 36 3.047 1.539 -13.803 1.00 35.53 C ATOM 552 CZ PHE A 36 2.167 0.694 -14.453 1.00 42.10 C ATOM 0 H PHE A 36 1.623 7.537 -14.755 1.00 32.31 H new ATOM 0 HA PHE A 36 -0.174 5.204 -15.055 1.00 52.01 H new ATOM 0 HB2 PHE A 36 2.023 5.158 -16.201 1.00 31.34 H new ATOM 0 HB3 PHE A 36 2.837 5.444 -14.676 1.00 31.34 H new ATOM 0 HD1 PHE A 36 0.409 2.983 -16.204 1.00 41.15 H new ATOM 0 HD2 PHE A 36 3.676 3.556 -13.504 1.00 63.42 H new ATOM 0 HE1 PHE A 36 0.533 0.559 -15.825 1.00 4.35 H new ATOM 0 HE2 PHE A 36 3.786 1.133 -13.128 1.00 35.53 H new ATOM 0 HZ PHE A 36 2.218 -0.372 -14.288 1.00 42.10 H new ATOM 562 N ASN A 37 -0.260 4.553 -12.634 1.00 51.14 N ATOM 563 CA ASN A 37 -0.517 4.266 -11.213 1.00 54.33 C ATOM 564 C ASN A 37 0.656 3.499 -10.578 1.00 41.11 C ATOM 565 O ASN A 37 1.726 3.349 -11.183 1.00 61.54 O ATOM 566 CB ASN A 37 -1.840 3.461 -11.079 1.00 25.44 C ATOM 567 CG ASN A 37 -3.086 4.229 -11.537 1.00 1.22 C ATOM 568 OD1 ASN A 37 -4.013 3.637 -12.091 1.00 65.34 O ATOM 569 ND2 ASN A 37 -3.138 5.537 -11.287 1.00 2.12 N ATOM 0 H ASN A 37 -0.786 3.954 -13.270 1.00 51.14 H new ATOM 0 HA ASN A 37 -0.616 5.210 -10.677 1.00 54.33 H new ATOM 0 HB2 ASN A 37 -1.756 2.544 -11.662 1.00 25.44 H new ATOM 0 HB3 ASN A 37 -1.970 3.166 -10.038 1.00 25.44 H new ATOM 0 HD21 ASN A 37 -3.962 6.075 -11.556 1.00 2.12 H new ATOM 0 HD22 ASN A 37 -2.354 6.000 -10.827 1.00 2.12 H new ATOM 576 N VAL A 38 0.454 3.036 -9.339 1.00 52.35 N ATOM 577 CA VAL A 38 1.450 2.241 -8.622 1.00 71.41 C ATOM 578 C VAL A 38 1.372 0.770 -9.072 1.00 62.43 C ATOM 579 O VAL A 38 0.276 0.234 -9.290 1.00 72.32 O ATOM 580 CB VAL A 38 1.260 2.323 -7.065 1.00 74.52 C ATOM 581 CG1 VAL A 38 2.416 1.612 -6.343 1.00 11.42 C ATOM 582 CG2 VAL A 38 1.139 3.782 -6.584 1.00 74.11 C ATOM 0 H VAL A 38 -0.402 3.203 -8.809 1.00 52.35 H new ATOM 0 HA VAL A 38 2.430 2.654 -8.862 1.00 71.41 H new ATOM 0 HB VAL A 38 0.327 1.816 -6.819 1.00 74.52 H new ATOM 0 HG11 VAL A 38 2.268 1.679 -5.265 1.00 11.42 H new ATOM 0 HG12 VAL A 38 2.442 0.564 -6.641 1.00 11.42 H new ATOM 0 HG13 VAL A 38 3.359 2.088 -6.610 1.00 11.42 H new ATOM 0 HG21 VAL A 38 1.009 3.799 -5.502 1.00 74.11 H new ATOM 0 HG22 VAL A 38 2.044 4.329 -6.849 1.00 74.11 H new ATOM 0 HG23 VAL A 38 0.279 4.252 -7.060 1.00 74.11 H new ATOM 592 N GLU A 39 2.544 0.152 -9.229 1.00 41.53 N ATOM 593 CA GLU A 39 2.679 -1.267 -9.551 1.00 10.15 C ATOM 594 C GLU A 39 2.552 -2.112 -8.259 1.00 23.20 C ATOM 595 O GLU A 39 1.788 -3.086 -8.201 1.00 22.51 O ATOM 596 CB GLU A 39 4.058 -1.496 -10.235 1.00 74.45 C ATOM 597 CG GLU A 39 4.220 -2.860 -10.917 1.00 61.20 C ATOM 598 CD GLU A 39 3.258 -3.045 -12.110 1.00 51.21 C ATOM 599 OE1 GLU A 39 2.122 -3.532 -11.908 1.00 42.25 O ATOM 600 OE2 GLU A 39 3.647 -2.703 -13.255 1.00 25.43 O ATOM 0 H GLU A 39 3.439 0.632 -9.134 1.00 41.53 H new ATOM 0 HA GLU A 39 1.888 -1.576 -10.234 1.00 10.15 H new ATOM 0 HB2 GLU A 39 4.214 -0.714 -10.978 1.00 74.45 H new ATOM 0 HB3 GLU A 39 4.842 -1.385 -9.486 1.00 74.45 H new ATOM 0 HG2 GLU A 39 5.248 -2.969 -11.263 1.00 61.20 H new ATOM 0 HG3 GLU A 39 4.044 -3.650 -10.187 1.00 61.20 H new ATOM 607 N GLY A 40 3.304 -1.698 -7.217 1.00 72.23 N ATOM 608 CA GLY A 40 3.369 -2.432 -5.946 1.00 60.02 C ATOM 609 C GLY A 40 3.640 -1.517 -4.753 1.00 44.14 C ATOM 610 O GLY A 40 4.229 -0.468 -4.916 1.00 1.35 O ATOM 0 H GLY A 40 3.876 -0.854 -7.237 1.00 72.23 H new ATOM 0 HA2 GLY A 40 2.429 -2.961 -5.788 1.00 60.02 H new ATOM 0 HA3 GLY A 40 4.153 -3.187 -6.006 1.00 60.02 H new ATOM 614 N ILE A 41 3.183 -1.904 -3.554 1.00 45.42 N ATOM 615 CA ILE A 41 3.339 -1.118 -2.302 1.00 43.20 C ATOM 616 C ILE A 41 3.781 -2.058 -1.171 1.00 34.21 C ATOM 617 O ILE A 41 3.485 -3.252 -1.207 1.00 52.02 O ATOM 618 CB ILE A 41 1.987 -0.376 -1.894 1.00 60.41 C ATOM 619 CG1 ILE A 41 1.561 0.616 -3.011 1.00 25.24 C ATOM 620 CG2 ILE A 41 2.086 0.355 -0.524 1.00 23.54 C ATOM 621 CD1 ILE A 41 0.338 1.451 -2.712 1.00 64.12 C ATOM 0 H ILE A 41 2.686 -2.784 -3.415 1.00 45.42 H new ATOM 0 HA ILE A 41 4.094 -0.350 -2.472 1.00 43.20 H new ATOM 0 HB ILE A 41 1.224 -1.146 -1.781 1.00 60.41 H new ATOM 0 HG12 ILE A 41 2.396 1.287 -3.214 1.00 25.24 H new ATOM 0 HG13 ILE A 41 1.378 0.050 -3.924 1.00 25.24 H new ATOM 0 HG21 ILE A 41 1.136 0.841 -0.301 1.00 23.54 H new ATOM 0 HG22 ILE A 41 2.316 -0.368 0.258 1.00 23.54 H new ATOM 0 HG23 ILE A 41 2.875 1.105 -0.568 1.00 23.54 H new ATOM 0 HD11 ILE A 41 0.130 2.107 -3.557 1.00 64.12 H new ATOM 0 HD12 ILE A 41 -0.517 0.796 -2.542 1.00 64.12 H new ATOM 0 HD13 ILE A 41 0.517 2.053 -1.821 1.00 64.12 H new ATOM 633 N LEU A 42 4.508 -1.517 -0.186 1.00 71.40 N ATOM 634 CA LEU A 42 4.827 -2.220 1.055 1.00 5.44 C ATOM 635 C LEU A 42 4.924 -1.197 2.191 1.00 33.33 C ATOM 636 O LEU A 42 5.966 -0.599 2.420 1.00 13.24 O ATOM 637 CB LEU A 42 6.113 -3.086 0.922 1.00 3.23 C ATOM 638 CG LEU A 42 6.593 -3.852 2.210 1.00 75.15 C ATOM 639 CD1 LEU A 42 5.439 -4.591 2.929 1.00 74.21 C ATOM 640 CD2 LEU A 42 7.731 -4.831 1.855 1.00 33.23 C ATOM 0 H LEU A 42 4.892 -0.573 -0.231 1.00 71.40 H new ATOM 0 HA LEU A 42 4.028 -2.925 1.285 1.00 5.44 H new ATOM 0 HB2 LEU A 42 5.948 -3.820 0.133 1.00 3.23 H new ATOM 0 HB3 LEU A 42 6.925 -2.439 0.590 1.00 3.23 H new ATOM 0 HG LEU A 42 6.967 -3.104 2.909 1.00 75.15 H new ATOM 0 HD11 LEU A 42 5.827 -5.102 3.810 1.00 74.21 H new ATOM 0 HD12 LEU A 42 4.679 -3.871 3.232 1.00 74.21 H new ATOM 0 HD13 LEU A 42 4.997 -5.321 2.252 1.00 74.21 H new ATOM 0 HD21 LEU A 42 8.054 -5.355 2.755 1.00 33.23 H new ATOM 0 HD22 LEU A 42 7.373 -5.555 1.123 1.00 33.23 H new ATOM 0 HD23 LEU A 42 8.571 -4.276 1.437 1.00 33.23 H new ATOM 652 N CYS A 43 3.790 -0.983 2.860 1.00 71.34 N ATOM 653 CA CYS A 43 3.689 -0.143 4.054 1.00 3.03 C ATOM 654 C CYS A 43 4.008 -1.016 5.275 1.00 73.43 C ATOM 655 O CYS A 43 3.164 -1.771 5.752 1.00 40.44 O ATOM 656 CB CYS A 43 2.262 0.455 4.126 1.00 21.02 C ATOM 657 SG CYS A 43 1.885 1.442 5.588 1.00 2.15 S ATOM 0 H CYS A 43 2.900 -1.396 2.582 1.00 71.34 H new ATOM 0 HA CYS A 43 4.395 0.687 4.025 1.00 3.03 H new ATOM 0 HB2 CYS A 43 2.106 1.076 3.244 1.00 21.02 H new ATOM 0 HB3 CYS A 43 1.544 -0.364 4.071 1.00 21.02 H new ATOM 0 HG CYS A 43 2.942 1.525 6.340 1.00 2.15 H new ATOM 663 N LEU A 44 5.278 -0.974 5.698 1.00 43.45 N ATOM 664 CA LEU A 44 5.809 -1.809 6.789 1.00 61.23 C ATOM 665 C LEU A 44 5.683 -1.037 8.115 1.00 11.33 C ATOM 666 O LEU A 44 6.444 -0.084 8.336 1.00 64.24 O ATOM 667 CB LEU A 44 7.285 -2.151 6.487 1.00 23.24 C ATOM 668 CG LEU A 44 7.949 -3.300 7.307 1.00 4.12 C ATOM 669 CD1 LEU A 44 7.320 -4.669 6.976 1.00 0.33 C ATOM 670 CD2 LEU A 44 9.472 -3.333 7.062 1.00 33.03 C ATOM 0 H LEU A 44 5.976 -0.353 5.289 1.00 43.45 H new ATOM 0 HA LEU A 44 5.246 -2.739 6.871 1.00 61.23 H new ATOM 0 HB2 LEU A 44 7.360 -2.408 5.430 1.00 23.24 H new ATOM 0 HB3 LEU A 44 7.876 -1.247 6.638 1.00 23.24 H new ATOM 0 HG LEU A 44 7.769 -3.098 8.363 1.00 4.12 H new ATOM 0 HD11 LEU A 44 7.807 -5.445 7.566 1.00 0.33 H new ATOM 0 HD12 LEU A 44 6.256 -4.647 7.213 1.00 0.33 H new ATOM 0 HD13 LEU A 44 7.451 -4.883 5.915 1.00 0.33 H new ATOM 0 HD21 LEU A 44 9.917 -4.141 7.643 1.00 33.03 H new ATOM 0 HD22 LEU A 44 9.667 -3.498 6.002 1.00 33.03 H new ATOM 0 HD23 LEU A 44 9.910 -2.383 7.368 1.00 33.03 H new ATOM 682 N PRO A 45 4.715 -1.411 9.007 1.00 31.43 N ATOM 683 CA PRO A 45 4.446 -0.654 10.247 1.00 75.11 C ATOM 684 C PRO A 45 5.638 -0.727 11.235 1.00 73.14 C ATOM 685 O PRO A 45 6.030 -1.816 11.682 1.00 3.52 O ATOM 686 CB PRO A 45 3.167 -1.329 10.803 1.00 21.05 C ATOM 687 CG PRO A 45 3.175 -2.722 10.243 1.00 1.52 C ATOM 688 CD PRO A 45 3.827 -2.607 8.884 1.00 15.15 C ATOM 0 HA PRO A 45 4.311 0.414 10.078 1.00 75.11 H new ATOM 0 HB2 PRO A 45 3.173 -1.344 11.893 1.00 21.05 H new ATOM 0 HB3 PRO A 45 2.272 -0.788 10.496 1.00 21.05 H new ATOM 0 HG2 PRO A 45 3.731 -3.401 10.889 1.00 1.52 H new ATOM 0 HG3 PRO A 45 2.163 -3.118 10.160 1.00 1.52 H new ATOM 0 HD2 PRO A 45 4.397 -3.503 8.638 1.00 15.15 H new ATOM 0 HD3 PRO A 45 3.086 -2.474 8.096 1.00 15.15 H new ATOM 696 N ILE A 46 6.235 0.446 11.511 1.00 12.31 N ATOM 697 CA ILE A 46 7.379 0.576 12.420 1.00 72.34 C ATOM 698 C ILE A 46 6.914 0.332 13.872 1.00 55.33 C ATOM 699 O ILE A 46 6.131 1.115 14.411 1.00 64.24 O ATOM 700 CB ILE A 46 8.051 1.998 12.279 1.00 70.10 C ATOM 701 CG1 ILE A 46 8.565 2.239 10.816 1.00 20.42 C ATOM 702 CG2 ILE A 46 9.191 2.213 13.304 1.00 64.34 C ATOM 703 CD1 ILE A 46 9.601 1.239 10.313 1.00 73.13 C ATOM 0 H ILE A 46 5.933 1.332 11.106 1.00 12.31 H new ATOM 0 HA ILE A 46 8.128 -0.171 12.156 1.00 72.34 H new ATOM 0 HB ILE A 46 7.278 2.734 12.498 1.00 70.10 H new ATOM 0 HG12 ILE A 46 7.709 2.220 10.141 1.00 20.42 H new ATOM 0 HG13 ILE A 46 8.994 3.240 10.760 1.00 20.42 H new ATOM 0 HG21 ILE A 46 9.621 3.205 13.167 1.00 64.34 H new ATOM 0 HG22 ILE A 46 8.792 2.127 14.315 1.00 64.34 H new ATOM 0 HG23 ILE A 46 9.963 1.459 13.153 1.00 64.34 H new ATOM 0 HD11 ILE A 46 9.889 1.495 9.293 1.00 73.13 H new ATOM 0 HD12 ILE A 46 10.480 1.270 10.957 1.00 73.13 H new ATOM 0 HD13 ILE A 46 9.176 0.236 10.328 1.00 73.13 H new ATOM 715 N GLN A 47 7.392 -0.782 14.456 1.00 24.50 N ATOM 716 CA GLN A 47 7.107 -1.181 15.853 1.00 33.33 C ATOM 717 C GLN A 47 7.494 -0.080 16.865 1.00 52.53 C ATOM 718 O GLN A 47 6.752 0.181 17.824 1.00 51.40 O ATOM 719 CB GLN A 47 7.863 -2.511 16.166 1.00 61.32 C ATOM 720 CG GLN A 47 8.034 -2.839 17.671 1.00 14.33 C ATOM 721 CD GLN A 47 6.717 -3.073 18.440 1.00 63.12 C ATOM 722 OE1 GLN A 47 5.731 -3.569 17.900 1.00 13.43 O ATOM 723 NE2 GLN A 47 6.689 -2.699 19.710 1.00 61.43 N ATOM 0 H GLN A 47 7.996 -1.442 13.966 1.00 24.50 H new ATOM 0 HA GLN A 47 6.032 -1.332 15.955 1.00 33.33 H new ATOM 0 HB2 GLN A 47 7.329 -3.334 15.691 1.00 61.32 H new ATOM 0 HB3 GLN A 47 8.851 -2.465 15.707 1.00 61.32 H new ATOM 0 HG2 GLN A 47 8.656 -3.729 17.765 1.00 14.33 H new ATOM 0 HG3 GLN A 47 8.575 -2.021 18.147 1.00 14.33 H new ATOM 0 HE21 GLN A 47 7.519 -2.289 20.139 1.00 61.43 H new ATOM 0 HE22 GLN A 47 5.838 -2.821 20.259 1.00 61.43 H new ATOM 732 N ASP A 48 8.652 0.544 16.614 1.00 73.42 N ATOM 733 CA ASP A 48 9.282 1.548 17.491 1.00 74.54 C ATOM 734 C ASP A 48 8.319 2.668 17.953 1.00 54.03 C ATOM 735 O ASP A 48 8.338 3.047 19.128 1.00 12.34 O ATOM 736 CB ASP A 48 10.501 2.135 16.727 1.00 73.12 C ATOM 737 CG ASP A 48 11.033 3.475 17.278 1.00 43.11 C ATOM 738 OD1 ASP A 48 11.717 3.464 18.311 1.00 64.25 O ATOM 739 OD2 ASP A 48 10.766 4.541 16.678 1.00 42.15 O ATOM 0 H ASP A 48 9.195 0.361 15.770 1.00 73.42 H new ATOM 0 HA ASP A 48 9.592 1.056 18.413 1.00 74.54 H new ATOM 0 HB2 ASP A 48 11.310 1.404 16.748 1.00 73.12 H new ATOM 0 HB3 ASP A 48 10.223 2.274 15.682 1.00 73.12 H new ATOM 744 N SER A 49 7.458 3.149 17.038 1.00 43.51 N ATOM 745 CA SER A 49 6.581 4.327 17.285 1.00 54.10 C ATOM 746 C SER A 49 5.397 4.349 16.298 1.00 71.52 C ATOM 747 O SER A 49 5.180 3.388 15.558 1.00 4.22 O ATOM 748 CB SER A 49 7.401 5.642 17.161 1.00 21.33 C ATOM 749 OG SER A 49 8.384 5.763 18.179 1.00 74.22 O ATOM 0 H SER A 49 7.345 2.741 16.110 1.00 43.51 H new ATOM 0 HA SER A 49 6.183 4.248 18.297 1.00 54.10 H new ATOM 0 HB2 SER A 49 7.886 5.674 16.185 1.00 21.33 H new ATOM 0 HB3 SER A 49 6.724 6.495 17.209 1.00 21.33 H new ATOM 0 HG SER A 49 9.237 5.405 17.855 1.00 74.22 H new ATOM 755 N ASP A 50 4.622 5.463 16.312 1.00 24.13 N ATOM 756 CA ASP A 50 3.556 5.723 15.320 1.00 12.32 C ATOM 757 C ASP A 50 4.182 6.150 13.989 1.00 24.24 C ATOM 758 O ASP A 50 4.222 7.338 13.660 1.00 53.31 O ATOM 759 CB ASP A 50 2.567 6.813 15.835 1.00 51.31 C ATOM 760 CG ASP A 50 1.583 6.265 16.867 1.00 45.11 C ATOM 761 OD1 ASP A 50 0.538 5.738 16.459 1.00 72.44 O ATOM 762 OD2 ASP A 50 1.855 6.354 18.085 1.00 75.42 O ATOM 0 H ASP A 50 4.720 6.201 17.009 1.00 24.13 H new ATOM 0 HA ASP A 50 2.989 4.804 15.169 1.00 12.32 H new ATOM 0 HB2 ASP A 50 3.133 7.634 16.276 1.00 51.31 H new ATOM 0 HB3 ASP A 50 2.013 7.225 14.991 1.00 51.31 H new ATOM 767 N LYS A 51 4.693 5.160 13.256 1.00 12.20 N ATOM 768 CA LYS A 51 5.349 5.333 11.958 1.00 13.40 C ATOM 769 C LYS A 51 5.120 4.080 11.105 1.00 3.14 C ATOM 770 O LYS A 51 4.679 3.034 11.597 1.00 32.01 O ATOM 771 CB LYS A 51 6.888 5.594 12.113 1.00 23.43 C ATOM 772 CG LYS A 51 7.276 6.973 12.697 1.00 43.44 C ATOM 773 CD LYS A 51 8.796 7.111 12.954 1.00 11.42 C ATOM 774 CE LYS A 51 9.329 6.055 13.945 1.00 2.34 C ATOM 775 NZ LYS A 51 10.737 6.318 14.349 1.00 45.32 N ATOM 0 H LYS A 51 4.661 4.186 13.558 1.00 12.20 H new ATOM 0 HA LYS A 51 4.913 6.206 11.472 1.00 13.40 H new ATOM 0 HB2 LYS A 51 7.308 4.817 12.753 1.00 23.43 H new ATOM 0 HB3 LYS A 51 7.357 5.489 11.135 1.00 23.43 H new ATOM 0 HG2 LYS A 51 6.956 7.756 12.010 1.00 43.44 H new ATOM 0 HG3 LYS A 51 6.739 7.130 13.632 1.00 43.44 H new ATOM 0 HD2 LYS A 51 9.330 7.019 12.008 1.00 11.42 H new ATOM 0 HD3 LYS A 51 9.006 8.107 13.343 1.00 11.42 H new ATOM 0 HE2 LYS A 51 8.696 6.040 14.832 1.00 2.34 H new ATOM 0 HE3 LYS A 51 9.263 5.067 13.490 1.00 2.34 H new ATOM 0 HZ1 LYS A 51 10.963 5.764 15.199 1.00 45.32 H new ATOM 0 HZ2 LYS A 51 11.377 6.044 13.576 1.00 45.32 H new ATOM 0 HZ3 LYS A 51 10.856 7.331 14.554 1.00 45.32 H new ATOM 789 N SER A 52 5.461 4.210 9.827 1.00 44.34 N ATOM 790 CA SER A 52 5.422 3.139 8.845 1.00 23.11 C ATOM 791 C SER A 52 6.389 3.515 7.715 1.00 41.11 C ATOM 792 O SER A 52 6.634 4.701 7.467 1.00 43.23 O ATOM 793 CB SER A 52 3.991 2.924 8.304 1.00 75.12 C ATOM 794 OG SER A 52 3.940 1.790 7.453 1.00 13.44 O ATOM 0 H SER A 52 5.783 5.095 9.436 1.00 44.34 H new ATOM 0 HA SER A 52 5.723 2.197 9.304 1.00 23.11 H new ATOM 0 HB2 SER A 52 3.299 2.792 9.136 1.00 75.12 H new ATOM 0 HB3 SER A 52 3.667 3.810 7.757 1.00 75.12 H new ATOM 0 HG SER A 52 3.508 1.047 7.924 1.00 13.44 H new ATOM 800 N HIS A 53 6.933 2.512 7.033 1.00 40.42 N ATOM 801 CA HIS A 53 7.949 2.702 5.990 1.00 25.35 C ATOM 802 C HIS A 53 7.396 2.107 4.689 1.00 60.23 C ATOM 803 O HIS A 53 7.351 0.893 4.542 1.00 71.20 O ATOM 804 CB HIS A 53 9.267 2.011 6.444 1.00 71.14 C ATOM 805 CG HIS A 53 10.523 2.444 5.726 1.00 74.45 C ATOM 806 ND1 HIS A 53 11.743 1.845 5.940 1.00 32.41 N ATOM 807 CD2 HIS A 53 10.760 3.451 4.855 1.00 62.10 C ATOM 808 CE1 HIS A 53 12.667 2.462 5.247 1.00 35.33 C ATOM 809 NE2 HIS A 53 12.102 3.441 4.581 1.00 14.33 N ATOM 0 H HIS A 53 6.683 1.535 7.186 1.00 40.42 H new ATOM 0 HA HIS A 53 8.174 3.755 5.821 1.00 25.35 H new ATOM 0 HB2 HIS A 53 9.401 2.193 7.510 1.00 71.14 H new ATOM 0 HB3 HIS A 53 9.152 0.935 6.316 1.00 71.14 H new ATOM 0 HD1 HIS A 53 11.904 1.041 6.547 1.00 32.41 H new ATOM 0 HD2 HIS A 53 10.028 4.135 4.451 1.00 62.10 H new ATOM 0 HE1 HIS A 53 13.717 2.208 5.227 1.00 35.33 H new ATOM 818 N ILE A 54 6.933 2.974 3.774 1.00 32.14 N ATOM 819 CA ILE A 54 6.176 2.554 2.582 1.00 3.25 C ATOM 820 C ILE A 54 7.090 2.589 1.348 1.00 45.50 C ATOM 821 O ILE A 54 7.575 3.653 0.978 1.00 14.23 O ATOM 822 CB ILE A 54 4.892 3.449 2.301 1.00 61.05 C ATOM 823 CG1 ILE A 54 3.965 3.612 3.553 1.00 70.20 C ATOM 824 CG2 ILE A 54 4.072 2.863 1.129 1.00 13.22 C ATOM 825 CD1 ILE A 54 4.493 4.514 4.642 1.00 1.44 C ATOM 0 H ILE A 54 7.072 3.982 3.839 1.00 32.14 H new ATOM 0 HA ILE A 54 5.825 1.541 2.781 1.00 3.25 H new ATOM 0 HB ILE A 54 5.265 4.440 2.043 1.00 61.05 H new ATOM 0 HG12 ILE A 54 3.001 3.998 3.221 1.00 70.20 H new ATOM 0 HG13 ILE A 54 3.783 2.625 3.979 1.00 70.20 H new ATOM 0 HG21 ILE A 54 3.197 3.487 0.949 1.00 13.22 H new ATOM 0 HG22 ILE A 54 4.689 2.836 0.231 1.00 13.22 H new ATOM 0 HG23 ILE A 54 3.751 1.852 1.379 1.00 13.22 H new ATOM 0 HD11 ILE A 54 3.774 4.556 5.460 1.00 1.44 H new ATOM 0 HD12 ILE A 54 5.441 4.122 5.011 1.00 1.44 H new ATOM 0 HD13 ILE A 54 4.646 5.516 4.242 1.00 1.44 H new ATOM 837 N TRP A 55 7.326 1.417 0.742 1.00 2.31 N ATOM 838 CA TRP A 55 8.061 1.283 -0.526 1.00 62.45 C ATOM 839 C TRP A 55 7.064 1.291 -1.701 1.00 75.45 C ATOM 840 O TRP A 55 6.231 0.387 -1.815 1.00 22.23 O ATOM 841 CB TRP A 55 8.889 -0.027 -0.510 1.00 0.52 C ATOM 842 CG TRP A 55 10.041 -0.007 0.484 1.00 34.03 C ATOM 843 CD1 TRP A 55 11.305 0.458 0.275 1.00 14.50 C ATOM 844 CD2 TRP A 55 10.025 -0.469 1.830 1.00 64.20 C ATOM 845 NE1 TRP A 55 12.059 0.334 1.413 1.00 63.12 N ATOM 846 CE2 TRP A 55 11.299 -0.244 2.380 1.00 0.34 C ATOM 847 CE3 TRP A 55 9.061 -1.045 2.614 1.00 24.30 C ATOM 848 CZ2 TRP A 55 11.615 -0.579 3.690 1.00 31.32 C ATOM 849 CZ3 TRP A 55 9.373 -1.379 3.901 1.00 15.25 C ATOM 850 CH2 TRP A 55 10.639 -1.145 4.437 1.00 40.01 C ATOM 0 H TRP A 55 7.009 0.525 1.122 1.00 2.31 H new ATOM 0 HA TRP A 55 8.746 2.122 -0.648 1.00 62.45 H new ATOM 0 HB2 TRP A 55 8.229 -0.861 -0.272 1.00 0.52 H new ATOM 0 HB3 TRP A 55 9.285 -0.209 -1.509 1.00 0.52 H new ATOM 0 HD1 TRP A 55 11.663 0.867 -0.658 1.00 14.50 H new ATOM 0 HE1 TRP A 55 13.030 0.627 1.517 1.00 63.12 H new ATOM 0 HE3 TRP A 55 8.072 -1.232 2.222 1.00 24.30 H new ATOM 0 HZ2 TRP A 55 12.599 -0.395 4.096 1.00 31.32 H new ATOM 0 HZ3 TRP A 55 8.617 -1.838 4.522 1.00 15.25 H new ATOM 0 HH2 TRP A 55 10.843 -1.419 5.462 1.00 40.01 H new ATOM 861 N LEU A 56 7.142 2.334 -2.548 1.00 75.23 N ATOM 862 CA LEU A 56 6.270 2.505 -3.724 1.00 50.20 C ATOM 863 C LEU A 56 7.010 2.052 -4.992 1.00 45.14 C ATOM 864 O LEU A 56 7.971 2.691 -5.415 1.00 55.04 O ATOM 865 CB LEU A 56 5.811 3.990 -3.890 1.00 13.43 C ATOM 866 CG LEU A 56 4.849 4.582 -2.796 1.00 72.42 C ATOM 867 CD1 LEU A 56 3.605 3.700 -2.586 1.00 33.21 C ATOM 868 CD2 LEU A 56 5.582 4.882 -1.472 1.00 31.23 C ATOM 0 H LEU A 56 7.819 3.089 -2.434 1.00 75.23 H new ATOM 0 HA LEU A 56 5.382 1.891 -3.572 1.00 50.20 H new ATOM 0 HB2 LEU A 56 6.703 4.615 -3.926 1.00 13.43 H new ATOM 0 HB3 LEU A 56 5.317 4.083 -4.857 1.00 13.43 H new ATOM 0 HG LEU A 56 4.495 5.541 -3.175 1.00 72.42 H new ATOM 0 HD11 LEU A 56 2.968 4.146 -1.822 1.00 33.21 H new ATOM 0 HD12 LEU A 56 3.051 3.624 -3.522 1.00 33.21 H new ATOM 0 HD13 LEU A 56 3.914 2.705 -2.265 1.00 33.21 H new ATOM 0 HD21 LEU A 56 4.875 5.289 -0.749 1.00 31.23 H new ATOM 0 HD22 LEU A 56 6.014 3.962 -1.079 1.00 31.23 H new ATOM 0 HD23 LEU A 56 6.375 5.608 -1.652 1.00 31.23 H new ATOM 880 N LEU A 57 6.527 0.962 -5.585 1.00 43.33 N ATOM 881 CA LEU A 57 7.026 0.405 -6.849 1.00 43.03 C ATOM 882 C LEU A 57 6.296 1.096 -7.992 1.00 15.44 C ATOM 883 O LEU A 57 5.098 0.888 -8.178 1.00 72.14 O ATOM 884 CB LEU A 57 6.772 -1.126 -6.942 1.00 41.21 C ATOM 885 CG LEU A 57 7.681 -2.061 -6.097 1.00 21.33 C ATOM 886 CD1 LEU A 57 7.690 -1.699 -4.595 1.00 74.32 C ATOM 887 CD2 LEU A 57 7.284 -3.533 -6.324 1.00 71.13 C ATOM 0 H LEU A 57 5.755 0.424 -5.191 1.00 43.33 H new ATOM 0 HA LEU A 57 8.102 0.571 -6.904 1.00 43.03 H new ATOM 0 HB2 LEU A 57 5.738 -1.313 -6.653 1.00 41.21 H new ATOM 0 HB3 LEU A 57 6.869 -1.419 -7.987 1.00 41.21 H new ATOM 0 HG LEU A 57 8.705 -1.915 -6.441 1.00 21.33 H new ATOM 0 HD11 LEU A 57 8.343 -2.388 -4.059 1.00 74.32 H new ATOM 0 HD12 LEU A 57 8.056 -0.680 -4.469 1.00 74.32 H new ATOM 0 HD13 LEU A 57 6.678 -1.774 -4.197 1.00 74.32 H new ATOM 0 HD21 LEU A 57 7.927 -4.180 -5.727 1.00 71.13 H new ATOM 0 HD22 LEU A 57 6.246 -3.680 -6.027 1.00 71.13 H new ATOM 0 HD23 LEU A 57 7.398 -3.782 -7.379 1.00 71.13 H new ATOM 899 N VAL A 58 7.020 1.936 -8.708 1.00 61.13 N ATOM 900 CA VAL A 58 6.500 2.682 -9.859 1.00 21.12 C ATOM 901 C VAL A 58 7.665 2.952 -10.807 1.00 53.21 C ATOM 902 O VAL A 58 8.781 3.149 -10.339 1.00 41.25 O ATOM 903 CB VAL A 58 5.844 4.029 -9.371 1.00 21.31 C ATOM 904 CG1 VAL A 58 6.878 4.954 -8.690 1.00 1.04 C ATOM 905 CG2 VAL A 58 5.082 4.749 -10.510 1.00 34.32 C ATOM 0 H VAL A 58 8.002 2.128 -8.510 1.00 61.13 H new ATOM 0 HA VAL A 58 5.731 2.109 -10.377 1.00 21.12 H new ATOM 0 HB VAL A 58 5.103 3.768 -8.615 1.00 21.31 H new ATOM 0 HG11 VAL A 58 6.388 5.872 -8.367 1.00 1.04 H new ATOM 0 HG12 VAL A 58 7.305 4.447 -7.825 1.00 1.04 H new ATOM 0 HG13 VAL A 58 7.672 5.196 -9.397 1.00 1.04 H new ATOM 0 HG21 VAL A 58 4.646 5.672 -10.129 1.00 34.32 H new ATOM 0 HG22 VAL A 58 5.773 4.981 -11.320 1.00 34.32 H new ATOM 0 HG23 VAL A 58 4.289 4.101 -10.884 1.00 34.32 H new ATOM 915 N ASN A 59 7.450 2.935 -12.126 1.00 31.12 N ATOM 916 CA ASN A 59 8.533 3.270 -13.064 1.00 33.12 C ATOM 917 C ASN A 59 8.819 4.787 -13.002 1.00 65.43 C ATOM 918 O ASN A 59 7.937 5.603 -13.303 1.00 75.03 O ATOM 919 CB ASN A 59 8.245 2.771 -14.505 1.00 42.22 C ATOM 920 CG ASN A 59 6.984 3.342 -15.150 1.00 51.33 C ATOM 921 OD1 ASN A 59 5.973 3.554 -14.492 1.00 52.32 O ATOM 922 ND2 ASN A 59 7.037 3.615 -16.439 1.00 12.01 N ATOM 0 H ASN A 59 6.559 2.699 -12.564 1.00 31.12 H new ATOM 0 HA ASN A 59 9.435 2.740 -12.757 1.00 33.12 H new ATOM 0 HB2 ASN A 59 9.100 3.017 -15.135 1.00 42.22 H new ATOM 0 HB3 ASN A 59 8.165 1.684 -14.487 1.00 42.22 H new ATOM 0 HD21 ASN A 59 6.224 4.012 -16.910 1.00 12.01 H new ATOM 0 HD22 ASN A 59 7.891 3.429 -16.965 1.00 12.01 H new ATOM 929 N ASP A 60 10.024 5.125 -12.480 1.00 75.50 N ATOM 930 CA ASP A 60 10.532 6.507 -12.364 1.00 33.45 C ATOM 931 C ASP A 60 10.333 7.314 -13.656 1.00 1.23 C ATOM 932 O ASP A 60 10.666 6.854 -14.754 1.00 44.02 O ATOM 933 CB ASP A 60 12.019 6.516 -11.954 1.00 21.10 C ATOM 934 CG ASP A 60 12.558 7.938 -11.706 1.00 13.43 C ATOM 935 OD1 ASP A 60 12.109 8.575 -10.732 1.00 34.12 O ATOM 936 OD2 ASP A 60 13.425 8.417 -12.478 1.00 22.12 O ATOM 0 H ASP A 60 10.679 4.429 -12.123 1.00 75.50 H new ATOM 0 HA ASP A 60 9.946 6.991 -11.583 1.00 33.45 H new ATOM 0 HB2 ASP A 60 12.146 5.921 -11.050 1.00 21.10 H new ATOM 0 HB3 ASP A 60 12.610 6.039 -12.736 1.00 21.10 H new ATOM 941 N ASP A 61 9.792 8.521 -13.488 1.00 54.24 N ATOM 942 CA ASP A 61 9.295 9.353 -14.578 1.00 60.31 C ATOM 943 C ASP A 61 9.621 10.817 -14.272 1.00 44.52 C ATOM 944 O ASP A 61 9.723 11.193 -13.102 1.00 14.24 O ATOM 945 CB ASP A 61 7.779 9.104 -14.701 1.00 32.41 C ATOM 946 CG ASP A 61 7.065 9.965 -15.744 1.00 33.21 C ATOM 947 OD1 ASP A 61 7.074 9.603 -16.935 1.00 21.31 O ATOM 948 OD2 ASP A 61 6.470 10.989 -15.363 1.00 14.15 O ATOM 0 H ASP A 61 9.686 8.954 -12.571 1.00 54.24 H new ATOM 0 HA ASP A 61 9.767 9.107 -15.529 1.00 60.31 H new ATOM 0 HB2 ASP A 61 7.617 8.054 -14.946 1.00 32.41 H new ATOM 0 HB3 ASP A 61 7.317 9.279 -13.729 1.00 32.41 H new ATOM 953 N GLN A 62 9.764 11.632 -15.324 1.00 73.31 N ATOM 954 CA GLN A 62 10.167 13.052 -15.211 1.00 22.34 C ATOM 955 C GLN A 62 9.141 13.872 -14.389 1.00 21.34 C ATOM 956 O GLN A 62 9.513 14.778 -13.635 1.00 54.05 O ATOM 957 CB GLN A 62 10.342 13.663 -16.628 1.00 3.31 C ATOM 958 CG GLN A 62 11.324 12.898 -17.544 1.00 21.10 C ATOM 959 CD GLN A 62 12.782 12.909 -17.051 1.00 22.34 C ATOM 960 OE1 GLN A 62 13.244 13.858 -16.418 1.00 21.01 O ATOM 961 NE2 GLN A 62 13.526 11.863 -17.353 1.00 43.13 N ATOM 0 H GLN A 62 9.604 11.330 -16.285 1.00 73.31 H new ATOM 0 HA GLN A 62 11.118 13.094 -14.681 1.00 22.34 H new ATOM 0 HB2 GLN A 62 9.368 13.702 -17.115 1.00 3.31 H new ATOM 0 HB3 GLN A 62 10.688 14.691 -16.525 1.00 3.31 H new ATOM 0 HG2 GLN A 62 10.990 11.864 -17.634 1.00 21.10 H new ATOM 0 HG3 GLN A 62 11.286 13.333 -18.543 1.00 21.10 H new ATOM 0 HE21 GLN A 62 13.125 11.086 -17.878 1.00 43.13 H new ATOM 0 HE22 GLN A 62 14.503 11.831 -17.061 1.00 43.13 H new ATOM 970 N ARG A 63 7.849 13.529 -14.550 1.00 14.54 N ATOM 971 CA ARG A 63 6.733 14.178 -13.825 1.00 25.31 C ATOM 972 C ARG A 63 6.603 13.575 -12.419 1.00 25.04 C ATOM 973 O ARG A 63 6.214 14.266 -11.470 1.00 4.00 O ATOM 974 CB ARG A 63 5.401 14.007 -14.608 1.00 60.10 C ATOM 975 CG ARG A 63 4.208 14.829 -14.064 1.00 73.43 C ATOM 976 CD ARG A 63 2.910 14.598 -14.860 1.00 50.31 C ATOM 977 NE ARG A 63 1.812 15.479 -14.412 1.00 72.41 N ATOM 978 CZ ARG A 63 0.563 15.488 -14.926 1.00 21.42 C ATOM 979 NH1 ARG A 63 0.215 14.671 -15.911 1.00 14.14 N ATOM 980 NH2 ARG A 63 -0.332 16.335 -14.452 1.00 33.14 N ATOM 0 H ARG A 63 7.546 12.793 -15.187 1.00 14.54 H new ATOM 0 HA ARG A 63 6.946 15.243 -13.737 1.00 25.31 H new ATOM 0 HB2 ARG A 63 5.571 14.287 -15.648 1.00 60.10 H new ATOM 0 HB3 ARG A 63 5.127 12.952 -14.602 1.00 60.10 H new ATOM 0 HG2 ARG A 63 4.039 14.568 -13.019 1.00 73.43 H new ATOM 0 HG3 ARG A 63 4.461 15.889 -14.091 1.00 73.43 H new ATOM 0 HD2 ARG A 63 3.101 14.769 -15.919 1.00 50.31 H new ATOM 0 HD3 ARG A 63 2.603 13.557 -14.756 1.00 50.31 H new ATOM 0 HE ARG A 63 2.013 16.132 -13.655 1.00 72.41 H new ATOM 0 HH11 ARG A 63 0.897 14.018 -16.297 1.00 14.14 H new ATOM 0 HH12 ARG A 63 -0.734 14.696 -16.283 1.00 14.14 H new ATOM 0 HH21 ARG A 63 -0.079 16.978 -13.702 1.00 33.14 H new ATOM 0 HH22 ARG A 63 -1.277 16.347 -14.836 1.00 33.14 H new ATOM 994 N LEU A 64 6.932 12.269 -12.311 1.00 61.52 N ATOM 995 CA LEU A 64 6.898 11.526 -11.037 1.00 31.11 C ATOM 996 C LEU A 64 7.847 12.154 -10.007 1.00 14.14 C ATOM 997 O LEU A 64 7.507 12.232 -8.836 1.00 42.35 O ATOM 998 CB LEU A 64 7.302 10.052 -11.247 1.00 1.30 C ATOM 999 CG LEU A 64 7.241 9.130 -9.980 1.00 11.10 C ATOM 1000 CD1 LEU A 64 5.804 8.691 -9.656 1.00 21.30 C ATOM 1001 CD2 LEU A 64 8.164 7.917 -10.126 1.00 21.05 C ATOM 0 H LEU A 64 7.228 11.703 -13.106 1.00 61.52 H new ATOM 0 HA LEU A 64 5.875 11.574 -10.665 1.00 31.11 H new ATOM 0 HB2 LEU A 64 6.654 9.625 -12.013 1.00 1.30 H new ATOM 0 HB3 LEU A 64 8.319 10.028 -11.640 1.00 1.30 H new ATOM 0 HG LEU A 64 7.597 9.725 -9.139 1.00 11.10 H new ATOM 0 HD11 LEU A 64 5.809 8.054 -8.771 1.00 21.30 H new ATOM 0 HD12 LEU A 64 5.189 9.571 -9.466 1.00 21.30 H new ATOM 0 HD13 LEU A 64 5.394 8.137 -10.500 1.00 21.30 H new ATOM 0 HD21 LEU A 64 8.097 7.299 -9.230 1.00 21.05 H new ATOM 0 HD22 LEU A 64 7.861 7.332 -10.994 1.00 21.05 H new ATOM 0 HD23 LEU A 64 9.192 8.256 -10.258 1.00 21.05 H new ATOM 1013 N GLU A 65 9.033 12.592 -10.468 1.00 21.02 N ATOM 1014 CA GLU A 65 10.062 13.213 -9.605 1.00 54.53 C ATOM 1015 C GLU A 65 9.557 14.515 -8.966 1.00 45.32 C ATOM 1016 O GLU A 65 9.932 14.842 -7.831 1.00 2.45 O ATOM 1017 CB GLU A 65 11.344 13.467 -10.422 1.00 14.21 C ATOM 1018 CG GLU A 65 11.955 12.188 -11.018 1.00 63.33 C ATOM 1019 CD GLU A 65 13.218 12.457 -11.837 1.00 33.41 C ATOM 1020 OE1 GLU A 65 13.098 12.833 -13.024 1.00 31.44 O ATOM 1021 OE2 GLU A 65 14.334 12.326 -11.292 1.00 22.31 O ATOM 0 H GLU A 65 9.307 12.527 -11.448 1.00 21.02 H new ATOM 0 HA GLU A 65 10.286 12.522 -8.792 1.00 54.53 H new ATOM 0 HB2 GLU A 65 11.119 14.163 -11.230 1.00 14.21 H new ATOM 0 HB3 GLU A 65 12.083 13.949 -9.783 1.00 14.21 H new ATOM 0 HG2 GLU A 65 12.192 11.495 -10.211 1.00 63.33 H new ATOM 0 HG3 GLU A 65 11.215 11.699 -11.651 1.00 63.33 H new ATOM 1028 N GLN A 66 8.698 15.237 -9.704 1.00 74.30 N ATOM 1029 CA GLN A 66 8.014 16.435 -9.189 1.00 14.15 C ATOM 1030 C GLN A 66 7.025 16.037 -8.075 1.00 22.31 C ATOM 1031 O GLN A 66 6.878 16.751 -7.078 1.00 22.31 O ATOM 1032 CB GLN A 66 7.281 17.182 -10.337 1.00 52.24 C ATOM 1033 CG GLN A 66 6.547 18.476 -9.899 1.00 13.44 C ATOM 1034 CD GLN A 66 7.469 19.527 -9.253 1.00 12.42 C ATOM 1035 OE1 GLN A 66 8.641 19.659 -9.605 1.00 51.35 O ATOM 1036 NE2 GLN A 66 6.953 20.268 -8.287 1.00 44.35 N ATOM 0 H GLN A 66 8.459 15.009 -10.669 1.00 74.30 H new ATOM 0 HA GLN A 66 8.758 17.112 -8.769 1.00 14.15 H new ATOM 0 HB2 GLN A 66 8.007 17.435 -11.110 1.00 52.24 H new ATOM 0 HB3 GLN A 66 6.557 16.505 -10.790 1.00 52.24 H new ATOM 0 HG2 GLN A 66 6.061 18.919 -10.768 1.00 13.44 H new ATOM 0 HG3 GLN A 66 5.759 18.214 -9.192 1.00 13.44 H new ATOM 0 HE21 GLN A 66 5.979 20.141 -8.012 1.00 44.35 H new ATOM 0 HE22 GLN A 66 7.529 20.966 -7.817 1.00 44.35 H new ATOM 1045 N MET A 67 6.378 14.869 -8.258 1.00 42.44 N ATOM 1046 CA MET A 67 5.425 14.311 -7.280 1.00 13.33 C ATOM 1047 C MET A 67 6.168 13.798 -6.024 1.00 34.43 C ATOM 1048 O MET A 67 5.616 13.844 -4.929 1.00 12.44 O ATOM 1049 CB MET A 67 4.580 13.169 -7.917 1.00 74.43 C ATOM 1050 CG MET A 67 3.862 13.562 -9.217 1.00 63.04 C ATOM 1051 SD MET A 67 2.793 15.005 -9.022 1.00 11.53 S ATOM 1052 CE MET A 67 2.254 15.283 -10.711 1.00 31.34 C ATOM 0 H MET A 67 6.502 14.287 -9.087 1.00 42.44 H new ATOM 0 HA MET A 67 4.747 15.109 -6.978 1.00 13.33 H new ATOM 0 HB2 MET A 67 5.233 12.320 -8.119 1.00 74.43 H new ATOM 0 HB3 MET A 67 3.837 12.835 -7.192 1.00 74.43 H new ATOM 0 HG2 MET A 67 4.604 13.768 -9.988 1.00 63.04 H new ATOM 0 HG3 MET A 67 3.266 12.719 -9.566 1.00 63.04 H new ATOM 0 HE1 MET A 67 1.376 15.929 -10.711 1.00 31.34 H new ATOM 0 HE2 MET A 67 3.055 15.760 -11.275 1.00 31.34 H new ATOM 0 HE3 MET A 67 2.003 14.329 -11.174 1.00 31.34 H new ATOM 1062 N ILE A 68 7.425 13.317 -6.211 1.00 23.35 N ATOM 1063 CA ILE A 68 8.310 12.858 -5.106 1.00 23.21 C ATOM 1064 C ILE A 68 8.745 14.070 -4.251 1.00 62.22 C ATOM 1065 O ILE A 68 8.757 14.013 -3.011 1.00 50.23 O ATOM 1066 CB ILE A 68 9.594 12.101 -5.652 1.00 71.25 C ATOM 1067 CG1 ILE A 68 9.200 10.854 -6.512 1.00 1.43 C ATOM 1068 CG2 ILE A 68 10.548 11.678 -4.498 1.00 74.23 C ATOM 1069 CD1 ILE A 68 10.369 10.179 -7.228 1.00 50.12 C ATOM 0 H ILE A 68 7.854 13.236 -7.133 1.00 23.35 H new ATOM 0 HA ILE A 68 7.743 12.154 -4.496 1.00 23.21 H new ATOM 0 HB ILE A 68 10.127 12.806 -6.291 1.00 71.25 H new ATOM 0 HG12 ILE A 68 8.716 10.122 -5.866 1.00 1.43 H new ATOM 0 HG13 ILE A 68 8.464 11.160 -7.255 1.00 1.43 H new ATOM 0 HG21 ILE A 68 11.415 11.163 -4.913 1.00 74.23 H new ATOM 0 HG22 ILE A 68 10.878 12.564 -3.955 1.00 74.23 H new ATOM 0 HG23 ILE A 68 10.021 11.010 -3.816 1.00 74.23 H new ATOM 0 HD11 ILE A 68 10.002 9.326 -7.799 1.00 50.12 H new ATOM 0 HD12 ILE A 68 10.842 10.891 -7.904 1.00 50.12 H new ATOM 0 HD13 ILE A 68 11.098 9.838 -6.493 1.00 50.12 H new ATOM 1081 N SER A 69 9.080 15.168 -4.942 1.00 35.23 N ATOM 1082 CA SER A 69 9.493 16.427 -4.307 1.00 42.54 C ATOM 1083 C SER A 69 8.309 17.039 -3.533 1.00 21.42 C ATOM 1084 O SER A 69 8.473 17.535 -2.414 1.00 31.44 O ATOM 1085 CB SER A 69 10.011 17.410 -5.381 1.00 44.20 C ATOM 1086 OG SER A 69 10.549 18.581 -4.801 1.00 32.30 O ATOM 0 H SER A 69 9.072 15.208 -5.961 1.00 35.23 H new ATOM 0 HA SER A 69 10.299 16.228 -3.601 1.00 42.54 H new ATOM 0 HB2 SER A 69 10.774 16.920 -5.986 1.00 44.20 H new ATOM 0 HB3 SER A 69 9.196 17.678 -6.053 1.00 44.20 H new ATOM 0 HG SER A 69 10.868 19.179 -5.508 1.00 32.30 H new ATOM 1092 N GLN A 70 7.110 16.952 -4.143 1.00 55.42 N ATOM 1093 CA GLN A 70 5.876 17.514 -3.583 1.00 53.22 C ATOM 1094 C GLN A 70 5.480 16.733 -2.313 1.00 25.43 C ATOM 1095 O GLN A 70 5.214 17.333 -1.277 1.00 32.31 O ATOM 1096 CB GLN A 70 4.734 17.475 -4.657 1.00 34.44 C ATOM 1097 CG GLN A 70 3.566 18.487 -4.456 1.00 71.12 C ATOM 1098 CD GLN A 70 2.634 18.228 -3.255 1.00 30.32 C ATOM 1099 OE1 GLN A 70 2.112 19.167 -2.653 1.00 34.14 O ATOM 1100 NE2 GLN A 70 2.379 16.969 -2.928 1.00 24.44 N ATOM 0 H GLN A 70 6.976 16.487 -5.041 1.00 55.42 H new ATOM 0 HA GLN A 70 6.040 18.555 -3.306 1.00 53.22 H new ATOM 0 HB2 GLN A 70 5.178 17.654 -5.636 1.00 34.44 H new ATOM 0 HB3 GLN A 70 4.316 16.469 -4.676 1.00 34.44 H new ATOM 0 HG2 GLN A 70 3.993 19.484 -4.349 1.00 71.12 H new ATOM 0 HG3 GLN A 70 2.961 18.495 -5.363 1.00 71.12 H new ATOM 0 HE21 GLN A 70 2.824 16.208 -3.442 1.00 24.44 H new ATOM 0 HE22 GLN A 70 1.738 16.761 -2.163 1.00 24.44 H new ATOM 1109 N ILE A 71 5.478 15.387 -2.408 1.00 64.41 N ATOM 1110 CA ILE A 71 4.990 14.503 -1.324 1.00 34.23 C ATOM 1111 C ILE A 71 5.908 14.557 -0.083 1.00 54.51 C ATOM 1112 O ILE A 71 5.428 14.439 1.053 1.00 32.32 O ATOM 1113 CB ILE A 71 4.826 13.014 -1.815 1.00 51.42 C ATOM 1114 CG1 ILE A 71 4.017 12.168 -0.792 1.00 40.51 C ATOM 1115 CG2 ILE A 71 6.187 12.344 -2.124 1.00 52.21 C ATOM 1116 CD1 ILE A 71 3.845 10.723 -1.190 1.00 42.14 C ATOM 0 H ILE A 71 5.811 14.884 -3.230 1.00 64.41 H new ATOM 0 HA ILE A 71 4.008 14.878 -1.037 1.00 34.23 H new ATOM 0 HB ILE A 71 4.265 13.053 -2.749 1.00 51.42 H new ATOM 0 HG12 ILE A 71 4.517 12.211 0.175 1.00 40.51 H new ATOM 0 HG13 ILE A 71 3.033 12.618 -0.662 1.00 40.51 H new ATOM 0 HG21 ILE A 71 6.021 11.320 -2.458 1.00 52.21 H new ATOM 0 HG22 ILE A 71 6.698 12.903 -2.908 1.00 52.21 H new ATOM 0 HG23 ILE A 71 6.802 12.336 -1.224 1.00 52.21 H new ATOM 0 HD11 ILE A 71 3.270 10.201 -0.425 1.00 42.14 H new ATOM 0 HD12 ILE A 71 3.316 10.668 -2.142 1.00 42.14 H new ATOM 0 HD13 ILE A 71 4.824 10.255 -1.291 1.00 42.14 H new ATOM 1128 N ASP A 72 7.217 14.764 -0.320 1.00 4.15 N ATOM 1129 CA ASP A 72 8.235 14.795 0.744 1.00 12.54 C ATOM 1130 C ASP A 72 7.954 15.912 1.770 1.00 40.44 C ATOM 1131 O ASP A 72 8.121 15.715 2.976 1.00 65.31 O ATOM 1132 CB ASP A 72 9.649 14.963 0.133 1.00 43.41 C ATOM 1133 CG ASP A 72 10.743 15.144 1.205 1.00 33.33 C ATOM 1134 OD1 ASP A 72 11.015 14.184 1.955 1.00 64.40 O ATOM 1135 OD2 ASP A 72 11.317 16.247 1.319 1.00 62.11 O ATOM 0 H ASP A 72 7.597 14.914 -1.254 1.00 4.15 H new ATOM 0 HA ASP A 72 8.189 13.843 1.274 1.00 12.54 H new ATOM 0 HB2 ASP A 72 9.883 14.090 -0.476 1.00 43.41 H new ATOM 0 HB3 ASP A 72 9.652 15.826 -0.533 1.00 43.41 H new ATOM 1140 N LYS A 73 7.485 17.069 1.272 1.00 21.50 N ATOM 1141 CA LYS A 73 7.234 18.264 2.112 1.00 61.54 C ATOM 1142 C LYS A 73 5.801 18.275 2.707 1.00 22.12 C ATOM 1143 O LYS A 73 5.340 19.307 3.208 1.00 63.20 O ATOM 1144 CB LYS A 73 7.557 19.554 1.302 1.00 22.51 C ATOM 1145 CG LYS A 73 6.827 19.676 -0.056 1.00 71.24 C ATOM 1146 CD LYS A 73 7.369 20.823 -0.939 1.00 65.31 C ATOM 1147 CE LYS A 73 8.850 20.629 -1.303 1.00 13.15 C ATOM 1148 NZ LYS A 73 9.332 21.648 -2.268 1.00 61.21 N ATOM 0 H LYS A 73 7.269 17.207 0.285 1.00 21.50 H new ATOM 0 HA LYS A 73 7.903 18.228 2.972 1.00 61.54 H new ATOM 0 HB2 LYS A 73 7.303 20.421 1.912 1.00 22.51 H new ATOM 0 HB3 LYS A 73 8.632 19.593 1.124 1.00 22.51 H new ATOM 0 HG2 LYS A 73 6.921 18.734 -0.597 1.00 71.24 H new ATOM 0 HG3 LYS A 73 5.764 19.836 0.124 1.00 71.24 H new ATOM 0 HD2 LYS A 73 6.778 20.886 -1.853 1.00 65.31 H new ATOM 0 HD3 LYS A 73 7.247 21.771 -0.415 1.00 65.31 H new ATOM 0 HE2 LYS A 73 9.454 20.676 -0.397 1.00 13.15 H new ATOM 0 HE3 LYS A 73 8.990 19.635 -1.728 1.00 13.15 H new ATOM 0 HZ1 LYS A 73 10.335 21.476 -2.483 1.00 61.21 H new ATOM 0 HZ2 LYS A 73 8.775 21.587 -3.144 1.00 61.21 H new ATOM 0 HZ3 LYS A 73 9.224 22.596 -1.854 1.00 61.21 H new ATOM 1162 N LEU A 74 5.116 17.110 2.667 1.00 15.43 N ATOM 1163 CA LEU A 74 3.871 16.863 3.438 1.00 2.02 C ATOM 1164 C LEU A 74 4.235 16.433 4.869 1.00 23.12 C ATOM 1165 O LEU A 74 5.276 15.799 5.085 1.00 45.33 O ATOM 1166 CB LEU A 74 2.975 15.764 2.759 1.00 53.22 C ATOM 1167 CG LEU A 74 1.978 16.249 1.648 1.00 53.05 C ATOM 1168 CD1 LEU A 74 0.871 17.153 2.237 1.00 3.41 C ATOM 1169 CD2 LEU A 74 2.713 16.959 0.497 1.00 61.32 C ATOM 0 H LEU A 74 5.408 16.314 2.101 1.00 15.43 H new ATOM 0 HA LEU A 74 3.296 17.788 3.461 1.00 2.02 H new ATOM 0 HB2 LEU A 74 3.632 15.013 2.321 1.00 53.22 H new ATOM 0 HB3 LEU A 74 2.398 15.267 3.539 1.00 53.22 H new ATOM 0 HG LEU A 74 1.500 15.360 1.237 1.00 53.05 H new ATOM 0 HD11 LEU A 74 0.198 17.471 1.440 1.00 3.41 H new ATOM 0 HD12 LEU A 74 0.308 16.597 2.987 1.00 3.41 H new ATOM 0 HD13 LEU A 74 1.325 18.029 2.700 1.00 3.41 H new ATOM 0 HD21 LEU A 74 1.990 17.280 -0.253 1.00 61.32 H new ATOM 0 HD22 LEU A 74 3.244 17.828 0.886 1.00 61.32 H new ATOM 0 HD23 LEU A 74 3.426 16.272 0.042 1.00 61.32 H new ATOM 1181 N GLU A 75 3.339 16.746 5.823 1.00 14.03 N ATOM 1182 CA GLU A 75 3.507 16.411 7.263 1.00 4.42 C ATOM 1183 C GLU A 75 3.506 14.885 7.507 1.00 10.02 C ATOM 1184 O GLU A 75 3.894 14.420 8.586 1.00 13.35 O ATOM 1185 CB GLU A 75 2.375 17.067 8.093 1.00 30.10 C ATOM 1186 CG GLU A 75 2.275 18.599 7.940 1.00 1.01 C ATOM 1187 CD GLU A 75 1.094 19.197 8.716 1.00 53.13 C ATOM 1188 OE1 GLU A 75 -0.067 18.984 8.299 1.00 31.53 O ATOM 1189 OE2 GLU A 75 1.313 19.860 9.753 1.00 72.50 O ATOM 0 H GLU A 75 2.470 17.242 5.623 1.00 14.03 H new ATOM 0 HA GLU A 75 4.475 16.800 7.578 1.00 4.42 H new ATOM 0 HB2 GLU A 75 1.423 16.623 7.801 1.00 30.10 H new ATOM 0 HB3 GLU A 75 2.529 16.829 9.146 1.00 30.10 H new ATOM 0 HG2 GLU A 75 3.201 19.056 8.288 1.00 1.01 H new ATOM 0 HG3 GLU A 75 2.174 18.848 6.884 1.00 1.01 H new ATOM 1196 N ASP A 76 3.024 14.137 6.506 1.00 71.12 N ATOM 1197 CA ASP A 76 2.988 12.673 6.519 1.00 62.11 C ATOM 1198 C ASP A 76 4.420 12.116 6.445 1.00 13.33 C ATOM 1199 O ASP A 76 4.873 11.418 7.358 1.00 73.44 O ATOM 1200 CB ASP A 76 2.168 12.163 5.298 1.00 53.53 C ATOM 1201 CG ASP A 76 0.764 12.790 5.191 1.00 62.01 C ATOM 1202 OD1 ASP A 76 0.665 13.981 4.810 1.00 40.32 O ATOM 1203 OD2 ASP A 76 -0.243 12.104 5.473 1.00 21.24 O ATOM 0 H ASP A 76 2.642 14.541 5.651 1.00 71.12 H new ATOM 0 HA ASP A 76 2.518 12.333 7.442 1.00 62.11 H new ATOM 0 HB2 ASP A 76 2.722 12.376 4.384 1.00 53.53 H new ATOM 0 HB3 ASP A 76 2.069 11.080 5.365 1.00 53.53 H new ATOM 1208 N VAL A 77 5.146 12.525 5.386 1.00 2.10 N ATOM 1209 CA VAL A 77 6.485 12.014 5.069 1.00 75.14 C ATOM 1210 C VAL A 77 7.526 12.652 5.997 1.00 35.53 C ATOM 1211 O VAL A 77 7.763 13.864 5.946 1.00 73.43 O ATOM 1212 CB VAL A 77 6.852 12.266 3.551 1.00 12.13 C ATOM 1213 CG1 VAL A 77 8.336 11.931 3.249 1.00 43.31 C ATOM 1214 CG2 VAL A 77 5.925 11.453 2.616 1.00 0.02 C ATOM 0 H VAL A 77 4.812 13.225 4.724 1.00 2.10 H new ATOM 0 HA VAL A 77 6.487 10.936 5.231 1.00 75.14 H new ATOM 0 HB VAL A 77 6.704 13.329 3.361 1.00 12.13 H new ATOM 0 HG11 VAL A 77 8.544 12.119 2.196 1.00 43.31 H new ATOM 0 HG12 VAL A 77 8.983 12.557 3.864 1.00 43.31 H new ATOM 0 HG13 VAL A 77 8.525 10.882 3.475 1.00 43.31 H new ATOM 0 HG21 VAL A 77 6.198 11.643 1.578 1.00 0.02 H new ATOM 0 HG22 VAL A 77 6.034 10.390 2.830 1.00 0.02 H new ATOM 0 HG23 VAL A 77 4.890 11.752 2.780 1.00 0.02 H new ATOM 1224 N VAL A 78 8.104 11.820 6.873 1.00 43.04 N ATOM 1225 CA VAL A 78 9.207 12.213 7.762 1.00 0.20 C ATOM 1226 C VAL A 78 10.512 12.266 6.946 1.00 3.10 C ATOM 1227 O VAL A 78 11.271 13.229 7.043 1.00 32.44 O ATOM 1228 CB VAL A 78 9.351 11.214 8.976 1.00 55.50 C ATOM 1229 CG1 VAL A 78 10.411 11.687 9.998 1.00 73.23 C ATOM 1230 CG2 VAL A 78 7.978 10.974 9.658 1.00 55.52 C ATOM 0 H VAL A 78 7.818 10.848 6.986 1.00 43.04 H new ATOM 0 HA VAL A 78 8.993 13.198 8.178 1.00 0.20 H new ATOM 0 HB VAL A 78 9.703 10.264 8.574 1.00 55.50 H new ATOM 0 HG11 VAL A 78 10.475 10.968 10.815 1.00 73.23 H new ATOM 0 HG12 VAL A 78 11.381 11.765 9.507 1.00 73.23 H new ATOM 0 HG13 VAL A 78 10.125 12.662 10.394 1.00 73.23 H new ATOM 0 HG21 VAL A 78 8.102 10.283 10.492 1.00 55.52 H new ATOM 0 HG22 VAL A 78 7.585 11.921 10.027 1.00 55.52 H new ATOM 0 HG23 VAL A 78 7.282 10.549 8.935 1.00 55.52 H new ATOM 1240 N LYS A 79 10.745 11.210 6.137 1.00 63.21 N ATOM 1241 CA LYS A 79 11.908 11.098 5.212 1.00 52.11 C ATOM 1242 C LYS A 79 11.492 10.317 3.951 1.00 75.31 C ATOM 1243 O LYS A 79 10.607 9.471 4.029 1.00 12.30 O ATOM 1244 CB LYS A 79 13.114 10.370 5.889 1.00 53.52 C ATOM 1245 CG LYS A 79 13.809 11.163 7.016 1.00 22.30 C ATOM 1246 CD LYS A 79 14.982 10.390 7.668 1.00 24.24 C ATOM 1247 CE LYS A 79 15.704 11.224 8.743 1.00 23.33 C ATOM 1248 NZ LYS A 79 14.797 11.610 9.857 1.00 4.15 N ATOM 0 H LYS A 79 10.127 10.399 6.103 1.00 63.21 H new ATOM 0 HA LYS A 79 12.222 12.108 4.947 1.00 52.11 H new ATOM 0 HB2 LYS A 79 12.764 9.422 6.296 1.00 53.52 H new ATOM 0 HB3 LYS A 79 13.853 10.135 5.123 1.00 53.52 H new ATOM 0 HG2 LYS A 79 14.182 12.105 6.613 1.00 22.30 H new ATOM 0 HG3 LYS A 79 13.075 11.412 7.783 1.00 22.30 H new ATOM 0 HD2 LYS A 79 14.604 9.471 8.117 1.00 24.24 H new ATOM 0 HD3 LYS A 79 15.695 10.098 6.897 1.00 24.24 H new ATOM 0 HE2 LYS A 79 16.543 10.653 9.141 1.00 23.33 H new ATOM 0 HE3 LYS A 79 16.118 12.123 8.286 1.00 23.33 H new ATOM 0 HZ1 LYS A 79 15.346 12.081 10.604 1.00 4.15 H new ATOM 0 HZ2 LYS A 79 14.067 12.260 9.501 1.00 4.15 H new ATOM 0 HZ3 LYS A 79 14.343 10.759 10.246 1.00 4.15 H new ATOM 1262 N VAL A 80 12.136 10.611 2.803 1.00 55.12 N ATOM 1263 CA VAL A 80 11.953 9.852 1.540 1.00 70.52 C ATOM 1264 C VAL A 80 13.344 9.463 0.974 1.00 71.02 C ATOM 1265 O VAL A 80 14.336 10.171 1.200 1.00 60.35 O ATOM 1266 CB VAL A 80 11.121 10.662 0.456 1.00 31.22 C ATOM 1267 CG1 VAL A 80 11.929 11.834 -0.142 1.00 64.43 C ATOM 1268 CG2 VAL A 80 10.571 9.730 -0.659 1.00 71.34 C ATOM 0 H VAL A 80 12.799 11.382 2.721 1.00 55.12 H new ATOM 0 HA VAL A 80 11.376 8.956 1.769 1.00 70.52 H new ATOM 0 HB VAL A 80 10.267 11.094 0.977 1.00 31.22 H new ATOM 0 HG11 VAL A 80 11.319 12.358 -0.878 1.00 64.43 H new ATOM 0 HG12 VAL A 80 12.212 12.524 0.653 1.00 64.43 H new ATOM 0 HG13 VAL A 80 12.827 11.448 -0.624 1.00 64.43 H new ATOM 0 HG21 VAL A 80 10.008 10.320 -1.382 1.00 71.34 H new ATOM 0 HG22 VAL A 80 11.402 9.236 -1.163 1.00 71.34 H new ATOM 0 HG23 VAL A 80 9.917 8.979 -0.216 1.00 71.34 H new ATOM 1278 N GLN A 81 13.408 8.324 0.265 1.00 50.53 N ATOM 1279 CA GLN A 81 14.639 7.801 -0.350 1.00 11.25 C ATOM 1280 C GLN A 81 14.263 6.961 -1.588 1.00 63.02 C ATOM 1281 O GLN A 81 13.202 6.326 -1.619 1.00 43.21 O ATOM 1282 CB GLN A 81 15.456 6.973 0.686 1.00 63.54 C ATOM 1283 CG GLN A 81 16.772 6.373 0.155 1.00 34.34 C ATOM 1284 CD GLN A 81 17.543 5.566 1.202 1.00 4.11 C ATOM 1285 OE1 GLN A 81 18.385 6.103 1.922 1.00 51.11 O ATOM 1286 NE2 GLN A 81 17.240 4.280 1.312 1.00 72.43 N ATOM 0 H GLN A 81 12.594 7.732 0.101 1.00 50.53 H new ATOM 0 HA GLN A 81 15.275 8.626 -0.671 1.00 11.25 H new ATOM 0 HB2 GLN A 81 15.685 7.612 1.539 1.00 63.54 H new ATOM 0 HB3 GLN A 81 14.828 6.162 1.055 1.00 63.54 H new ATOM 0 HG2 GLN A 81 16.551 5.730 -0.697 1.00 34.34 H new ATOM 0 HG3 GLN A 81 17.408 7.179 -0.211 1.00 34.34 H new ATOM 0 HE21 GLN A 81 16.537 3.867 0.699 1.00 72.43 H new ATOM 0 HE22 GLN A 81 17.710 3.703 2.010 1.00 72.43 H new ATOM 1295 N ARG A 82 15.140 6.971 -2.602 1.00 13.35 N ATOM 1296 CA ARG A 82 14.883 6.368 -3.923 1.00 2.23 C ATOM 1297 C ARG A 82 15.786 5.130 -4.110 1.00 10.12 C ATOM 1298 O ARG A 82 16.977 5.262 -4.395 1.00 2.21 O ATOM 1299 CB ARG A 82 15.138 7.446 -5.019 1.00 22.02 C ATOM 1300 CG ARG A 82 14.329 8.751 -4.796 1.00 33.51 C ATOM 1301 CD ARG A 82 14.702 9.882 -5.766 1.00 71.44 C ATOM 1302 NE ARG A 82 14.401 9.559 -7.174 1.00 50.50 N ATOM 1303 CZ ARG A 82 14.324 10.461 -8.170 1.00 20.23 C ATOM 1304 NH1 ARG A 82 14.517 11.757 -7.937 1.00 72.34 N ATOM 1305 NH2 ARG A 82 14.046 10.058 -9.398 1.00 71.04 N ATOM 0 H ARG A 82 16.061 7.403 -2.529 1.00 13.35 H new ATOM 0 HA ARG A 82 13.849 6.033 -4.003 1.00 2.23 H new ATOM 0 HB2 ARG A 82 16.201 7.685 -5.043 1.00 22.02 H new ATOM 0 HB3 ARG A 82 14.883 7.031 -5.994 1.00 22.02 H new ATOM 0 HG2 ARG A 82 13.266 8.531 -4.899 1.00 33.51 H new ATOM 0 HG3 ARG A 82 14.485 9.095 -3.774 1.00 33.51 H new ATOM 0 HD2 ARG A 82 14.164 10.787 -5.484 1.00 71.44 H new ATOM 0 HD3 ARG A 82 15.765 10.100 -5.669 1.00 71.44 H new ATOM 0 HE ARG A 82 14.239 8.580 -7.410 1.00 50.50 H new ATOM 0 HH11 ARG A 82 14.727 12.080 -6.992 1.00 72.34 H new ATOM 0 HH12 ARG A 82 14.455 12.428 -8.703 1.00 72.34 H new ATOM 0 HH21 ARG A 82 13.891 9.068 -9.587 1.00 71.04 H new ATOM 0 HH22 ARG A 82 13.986 10.737 -10.156 1.00 71.04 H new ATOM 1319 N ASN A 83 15.206 3.940 -3.896 1.00 13.54 N ATOM 1320 CA ASN A 83 15.913 2.633 -3.961 1.00 44.53 C ATOM 1321 C ASN A 83 15.715 1.973 -5.340 1.00 4.21 C ATOM 1322 O ASN A 83 14.758 2.287 -6.056 1.00 43.22 O ATOM 1323 CB ASN A 83 15.414 1.667 -2.843 1.00 55.42 C ATOM 1324 CG ASN A 83 15.649 2.169 -1.414 1.00 52.21 C ATOM 1325 OD1 ASN A 83 15.731 3.370 -1.154 1.00 31.41 O ATOM 1326 ND2 ASN A 83 15.734 1.246 -0.470 1.00 43.40 N ATOM 0 H ASN A 83 14.216 3.847 -3.668 1.00 13.54 H new ATOM 0 HA ASN A 83 16.974 2.827 -3.807 1.00 44.53 H new ATOM 0 HB2 ASN A 83 14.347 1.492 -2.982 1.00 55.42 H new ATOM 0 HB3 ASN A 83 15.913 0.705 -2.963 1.00 55.42 H new ATOM 0 HD21 ASN A 83 15.871 1.522 0.502 1.00 43.40 H new ATOM 0 HD22 ASN A 83 15.663 0.258 -0.715 1.00 43.40 H new ATOM 1333 N GLN A 84 16.642 1.074 -5.704 1.00 42.41 N ATOM 1334 CA GLN A 84 16.574 0.270 -6.943 1.00 32.24 C ATOM 1335 C GLN A 84 15.725 -1.000 -6.694 1.00 32.34 C ATOM 1336 O GLN A 84 15.672 -1.495 -5.563 1.00 63.13 O ATOM 1337 CB GLN A 84 18.013 -0.133 -7.370 1.00 35.23 C ATOM 1338 CG GLN A 84 18.093 -0.949 -8.674 1.00 44.13 C ATOM 1339 CD GLN A 84 19.494 -1.483 -8.960 1.00 13.34 C ATOM 1340 OE1 GLN A 84 20.305 -0.822 -9.609 1.00 11.32 O ATOM 1341 NE2 GLN A 84 19.787 -2.678 -8.469 1.00 62.44 N ATOM 0 H GLN A 84 17.471 0.879 -5.143 1.00 42.41 H new ATOM 0 HA GLN A 84 16.110 0.857 -7.736 1.00 32.24 H new ATOM 0 HB2 GLN A 84 18.610 0.772 -7.487 1.00 35.23 H new ATOM 0 HB3 GLN A 84 18.467 -0.713 -6.566 1.00 35.23 H new ATOM 0 HG2 GLN A 84 17.397 -1.785 -8.616 1.00 44.13 H new ATOM 0 HG3 GLN A 84 17.772 -0.324 -9.507 1.00 44.13 H new ATOM 0 HE21 GLN A 84 19.088 -3.196 -7.936 1.00 62.44 H new ATOM 0 HE22 GLN A 84 20.711 -3.080 -8.624 1.00 62.44 H new ATOM 1350 N SER A 85 15.043 -1.508 -7.742 1.00 55.53 N ATOM 1351 CA SER A 85 14.205 -2.716 -7.639 1.00 31.41 C ATOM 1352 C SER A 85 15.045 -3.990 -7.783 1.00 1.24 C ATOM 1353 O SER A 85 15.695 -4.217 -8.813 1.00 34.22 O ATOM 1354 CB SER A 85 13.064 -2.653 -8.671 1.00 74.12 C ATOM 1355 OG SER A 85 12.216 -3.790 -8.614 1.00 70.13 O ATOM 0 H SER A 85 15.059 -1.095 -8.674 1.00 55.53 H new ATOM 0 HA SER A 85 13.758 -2.751 -6.646 1.00 31.41 H new ATOM 0 HB2 SER A 85 12.473 -1.754 -8.499 1.00 74.12 H new ATOM 0 HB3 SER A 85 13.488 -2.570 -9.672 1.00 74.12 H new ATOM 0 HG SER A 85 12.224 -4.248 -9.481 1.00 70.13 H new ATOM 1361 N ASP A 86 15.043 -4.794 -6.701 1.00 31.33 N ATOM 1362 CA ASP A 86 15.779 -6.062 -6.595 1.00 20.21 C ATOM 1363 C ASP A 86 14.846 -7.124 -5.975 1.00 61.31 C ATOM 1364 O ASP A 86 14.172 -6.829 -4.989 1.00 14.13 O ATOM 1365 CB ASP A 86 17.053 -5.878 -5.720 1.00 64.05 C ATOM 1366 CG ASP A 86 18.064 -4.905 -6.354 1.00 54.10 C ATOM 1367 OD1 ASP A 86 18.878 -5.339 -7.199 1.00 14.44 O ATOM 1368 OD2 ASP A 86 18.036 -3.695 -6.028 1.00 2.32 O ATOM 0 H ASP A 86 14.515 -4.571 -5.857 1.00 31.33 H new ATOM 0 HA ASP A 86 16.097 -6.387 -7.585 1.00 20.21 H new ATOM 0 HB2 ASP A 86 16.765 -5.508 -4.736 1.00 64.05 H new ATOM 0 HB3 ASP A 86 17.530 -6.846 -5.569 1.00 64.05 H new ATOM 1373 N PRO A 87 14.770 -8.369 -6.553 1.00 42.43 N ATOM 1374 CA PRO A 87 13.878 -9.461 -6.051 1.00 61.23 C ATOM 1375 C PRO A 87 14.077 -9.830 -4.554 1.00 30.22 C ATOM 1376 O PRO A 87 13.101 -10.050 -3.826 1.00 22.11 O ATOM 1377 CB PRO A 87 14.229 -10.659 -6.975 1.00 15.24 C ATOM 1378 CG PRO A 87 14.743 -10.021 -8.234 1.00 14.35 C ATOM 1379 CD PRO A 87 15.506 -8.798 -7.781 1.00 20.12 C ATOM 0 HA PRO A 87 12.833 -9.154 -6.087 1.00 61.23 H new ATOM 0 HB2 PRO A 87 14.981 -11.304 -6.521 1.00 15.24 H new ATOM 0 HB3 PRO A 87 13.354 -11.279 -7.172 1.00 15.24 H new ATOM 0 HG2 PRO A 87 15.388 -10.705 -8.786 1.00 14.35 H new ATOM 0 HG3 PRO A 87 13.924 -9.749 -8.899 1.00 14.35 H new ATOM 0 HD2 PRO A 87 16.548 -9.032 -7.564 1.00 20.12 H new ATOM 0 HD3 PRO A 87 15.506 -8.019 -8.543 1.00 20.12 H new ATOM 1387 N THR A 88 15.345 -9.888 -4.109 1.00 41.34 N ATOM 1388 CA THR A 88 15.690 -10.271 -2.718 1.00 25.44 C ATOM 1389 C THR A 88 15.411 -9.135 -1.716 1.00 44.02 C ATOM 1390 O THR A 88 15.333 -9.387 -0.504 1.00 63.13 O ATOM 1391 CB THR A 88 17.186 -10.707 -2.607 1.00 0.20 C ATOM 1392 OG1 THR A 88 18.040 -9.640 -3.054 1.00 5.35 O ATOM 1393 CG2 THR A 88 17.487 -11.978 -3.433 1.00 54.14 C ATOM 0 H THR A 88 16.155 -9.674 -4.692 1.00 41.34 H new ATOM 0 HA THR A 88 15.049 -11.115 -2.463 1.00 25.44 H new ATOM 0 HB THR A 88 17.379 -10.934 -1.559 1.00 0.20 H new ATOM 0 HG1 THR A 88 18.977 -9.918 -2.981 1.00 5.35 H new ATOM 0 HG21 THR A 88 18.539 -12.242 -3.324 1.00 54.14 H new ATOM 0 HG22 THR A 88 16.868 -12.800 -3.074 1.00 54.14 H new ATOM 0 HG23 THR A 88 17.267 -11.790 -4.484 1.00 54.14 H new ATOM 1401 N MET A 89 15.257 -7.896 -2.232 1.00 3.21 N ATOM 1402 CA MET A 89 14.990 -6.701 -1.411 1.00 72.52 C ATOM 1403 C MET A 89 13.657 -6.863 -0.659 1.00 0.23 C ATOM 1404 O MET A 89 13.593 -6.602 0.545 1.00 23.41 O ATOM 1405 CB MET A 89 14.992 -5.433 -2.305 1.00 54.52 C ATOM 1406 CG MET A 89 14.882 -4.094 -1.557 1.00 12.13 C ATOM 1407 SD MET A 89 13.246 -3.778 -0.865 1.00 73.34 S ATOM 1408 CE MET A 89 13.557 -2.267 0.047 1.00 73.12 C ATOM 0 H MET A 89 15.315 -7.699 -3.231 1.00 3.21 H new ATOM 0 HA MET A 89 15.779 -6.587 -0.667 1.00 72.52 H new ATOM 0 HB2 MET A 89 15.910 -5.426 -2.893 1.00 54.52 H new ATOM 0 HB3 MET A 89 14.163 -5.505 -3.009 1.00 54.52 H new ATOM 0 HG2 MET A 89 15.616 -4.077 -0.752 1.00 12.13 H new ATOM 0 HG3 MET A 89 15.140 -3.285 -2.240 1.00 12.13 H new ATOM 0 HE1 MET A 89 12.868 -2.202 0.889 1.00 73.12 H new ATOM 0 HE2 MET A 89 14.583 -2.269 0.416 1.00 73.12 H new ATOM 0 HE3 MET A 89 13.409 -1.409 -0.609 1.00 73.12 H new ATOM 1418 N PHE A 90 12.621 -7.329 -1.393 1.00 4.42 N ATOM 1419 CA PHE A 90 11.274 -7.642 -0.850 1.00 74.22 C ATOM 1420 C PHE A 90 11.346 -8.527 0.411 1.00 73.11 C ATOM 1421 O PHE A 90 10.779 -8.194 1.466 1.00 14.45 O ATOM 1422 CB PHE A 90 10.422 -8.371 -1.929 1.00 70.34 C ATOM 1423 CG PHE A 90 10.164 -7.555 -3.193 1.00 42.43 C ATOM 1424 CD1 PHE A 90 11.114 -7.485 -4.215 1.00 75.33 C ATOM 1425 CD2 PHE A 90 8.974 -6.853 -3.356 1.00 50.13 C ATOM 1426 CE1 PHE A 90 10.884 -6.745 -5.356 1.00 30.15 C ATOM 1427 CE2 PHE A 90 8.746 -6.116 -4.495 1.00 71.03 C ATOM 1428 CZ PHE A 90 9.701 -6.060 -5.497 1.00 41.33 C ATOM 0 H PHE A 90 12.696 -7.502 -2.395 1.00 4.42 H new ATOM 0 HA PHE A 90 10.811 -6.694 -0.575 1.00 74.22 H new ATOM 0 HB2 PHE A 90 10.926 -9.297 -2.207 1.00 70.34 H new ATOM 0 HB3 PHE A 90 9.464 -8.649 -1.490 1.00 70.34 H new ATOM 0 HD1 PHE A 90 12.046 -8.020 -4.110 1.00 75.33 H new ATOM 0 HD2 PHE A 90 8.222 -6.887 -2.581 1.00 50.13 H new ATOM 0 HE1 PHE A 90 11.631 -6.704 -6.135 1.00 30.15 H new ATOM 0 HE2 PHE A 90 7.817 -5.578 -4.609 1.00 71.03 H new ATOM 0 HZ PHE A 90 9.516 -5.479 -6.388 1.00 41.33 H new ATOM 1438 N ASN A 91 12.080 -9.644 0.285 1.00 60.22 N ATOM 1439 CA ASN A 91 12.202 -10.652 1.349 1.00 33.21 C ATOM 1440 C ASN A 91 13.026 -10.088 2.532 1.00 33.31 C ATOM 1441 O ASN A 91 12.750 -10.405 3.703 1.00 64.43 O ATOM 1442 CB ASN A 91 12.843 -11.937 0.765 1.00 43.05 C ATOM 1443 CG ASN A 91 12.918 -13.088 1.771 1.00 51.41 C ATOM 1444 OD1 ASN A 91 13.932 -13.291 2.440 1.00 5.45 O ATOM 1445 ND2 ASN A 91 11.827 -13.819 1.923 1.00 42.34 N ATOM 0 H ASN A 91 12.606 -9.873 -0.558 1.00 60.22 H new ATOM 0 HA ASN A 91 11.214 -10.905 1.734 1.00 33.21 H new ATOM 0 HB2 ASN A 91 12.268 -12.259 -0.103 1.00 43.05 H new ATOM 0 HB3 ASN A 91 13.848 -11.705 0.413 1.00 43.05 H new ATOM 0 HD21 ASN A 91 11.810 -14.574 2.609 1.00 42.34 H new ATOM 0 HD22 ASN A 91 11.002 -13.628 1.355 1.00 42.34 H new ATOM 1452 N LYS A 92 14.004 -9.221 2.185 1.00 72.33 N ATOM 1453 CA LYS A 92 14.928 -8.573 3.137 1.00 13.23 C ATOM 1454 C LYS A 92 14.186 -7.791 4.235 1.00 52.35 C ATOM 1455 O LYS A 92 14.317 -8.109 5.424 1.00 42.23 O ATOM 1456 CB LYS A 92 15.908 -7.635 2.375 1.00 2.41 C ATOM 1457 CG LYS A 92 16.958 -6.932 3.258 1.00 3.23 C ATOM 1458 CD LYS A 92 17.885 -6.002 2.438 1.00 24.21 C ATOM 1459 CE LYS A 92 18.938 -5.292 3.306 1.00 63.53 C ATOM 1460 NZ LYS A 92 19.807 -6.262 4.026 1.00 50.43 N ATOM 0 H LYS A 92 14.174 -8.949 1.217 1.00 72.33 H new ATOM 0 HA LYS A 92 15.491 -9.364 3.632 1.00 13.23 H new ATOM 0 HB2 LYS A 92 16.427 -8.218 1.614 1.00 2.41 H new ATOM 0 HB3 LYS A 92 15.327 -6.875 1.853 1.00 2.41 H new ATOM 0 HG2 LYS A 92 16.451 -6.350 4.028 1.00 3.23 H new ATOM 0 HG3 LYS A 92 17.560 -7.682 3.770 1.00 3.23 H new ATOM 0 HD2 LYS A 92 18.390 -6.586 1.669 1.00 24.21 H new ATOM 0 HD3 LYS A 92 17.280 -5.254 1.925 1.00 24.21 H new ATOM 0 HE2 LYS A 92 19.554 -4.650 2.677 1.00 63.53 H new ATOM 0 HE3 LYS A 92 18.438 -4.646 4.028 1.00 63.53 H new ATOM 0 HZ1 LYS A 92 20.595 -5.754 4.477 1.00 50.43 H new ATOM 0 HZ2 LYS A 92 19.250 -6.753 4.754 1.00 50.43 H new ATOM 0 HZ3 LYS A 92 20.184 -6.958 3.351 1.00 50.43 H new ATOM 1474 N ILE A 93 13.402 -6.770 3.838 1.00 61.14 N ATOM 1475 CA ILE A 93 12.727 -5.888 4.818 1.00 3.44 C ATOM 1476 C ILE A 93 11.495 -6.574 5.432 1.00 62.33 C ATOM 1477 O ILE A 93 11.094 -6.231 6.547 1.00 44.35 O ATOM 1478 CB ILE A 93 12.351 -4.464 4.255 1.00 74.11 C ATOM 1479 CG1 ILE A 93 11.132 -4.488 3.268 1.00 73.51 C ATOM 1480 CG2 ILE A 93 13.589 -3.793 3.604 1.00 3.50 C ATOM 1481 CD1 ILE A 93 11.398 -5.028 1.884 1.00 43.13 C ATOM 0 H ILE A 93 13.220 -6.535 2.862 1.00 61.14 H new ATOM 0 HA ILE A 93 13.465 -5.713 5.601 1.00 3.44 H new ATOM 0 HB ILE A 93 12.031 -3.865 5.108 1.00 74.11 H new ATOM 0 HG12 ILE A 93 10.339 -5.083 3.720 1.00 73.51 H new ATOM 0 HG13 ILE A 93 10.752 -3.471 3.170 1.00 73.51 H new ATOM 0 HG21 ILE A 93 13.311 -2.811 3.221 1.00 3.50 H new ATOM 0 HG22 ILE A 93 14.377 -3.682 4.349 1.00 3.50 H new ATOM 0 HG23 ILE A 93 13.950 -4.414 2.784 1.00 3.50 H new ATOM 0 HD11 ILE A 93 10.480 -4.993 1.297 1.00 43.13 H new ATOM 0 HD12 ILE A 93 12.163 -4.422 1.398 1.00 43.13 H new ATOM 0 HD13 ILE A 93 11.743 -6.059 1.956 1.00 43.13 H new ATOM 1493 N ALA A 94 10.889 -7.523 4.684 1.00 23.40 N ATOM 1494 CA ALA A 94 9.749 -8.325 5.173 1.00 41.14 C ATOM 1495 C ALA A 94 10.091 -9.091 6.471 1.00 60.41 C ATOM 1496 O ALA A 94 9.271 -9.152 7.392 1.00 22.13 O ATOM 1497 CB ALA A 94 9.288 -9.297 4.084 1.00 34.25 C ATOM 0 H ALA A 94 11.175 -7.752 3.732 1.00 23.40 H new ATOM 0 HA ALA A 94 8.938 -7.636 5.410 1.00 41.14 H new ATOM 0 HB1 ALA A 94 8.447 -9.884 4.453 1.00 34.25 H new ATOM 0 HB2 ALA A 94 8.979 -8.736 3.202 1.00 34.25 H new ATOM 0 HB3 ALA A 94 10.109 -9.964 3.821 1.00 34.25 H new ATOM 1503 N VAL A 95 11.308 -9.675 6.529 1.00 22.22 N ATOM 1504 CA VAL A 95 11.782 -10.409 7.728 1.00 1.14 C ATOM 1505 C VAL A 95 12.421 -9.451 8.762 1.00 31.41 C ATOM 1506 O VAL A 95 12.412 -9.734 9.963 1.00 73.41 O ATOM 1507 CB VAL A 95 12.795 -11.561 7.343 1.00 41.20 C ATOM 1508 CG1 VAL A 95 14.104 -11.016 6.729 1.00 4.03 C ATOM 1509 CG2 VAL A 95 13.076 -12.506 8.541 1.00 51.30 C ATOM 0 H VAL A 95 11.980 -9.654 5.762 1.00 22.22 H new ATOM 0 HA VAL A 95 10.906 -10.869 8.186 1.00 1.14 H new ATOM 0 HB VAL A 95 12.309 -12.153 6.568 1.00 41.20 H new ATOM 0 HG11 VAL A 95 14.764 -11.848 6.483 1.00 4.03 H new ATOM 0 HG12 VAL A 95 13.875 -10.454 5.824 1.00 4.03 H new ATOM 0 HG13 VAL A 95 14.598 -10.361 7.447 1.00 4.03 H new ATOM 0 HG21 VAL A 95 13.776 -13.283 8.235 1.00 51.30 H new ATOM 0 HG22 VAL A 95 13.506 -11.934 9.363 1.00 51.30 H new ATOM 0 HG23 VAL A 95 12.144 -12.966 8.868 1.00 51.30 H new ATOM 1519 N PHE A 96 12.959 -8.313 8.285 1.00 63.52 N ATOM 1520 CA PHE A 96 13.674 -7.340 9.140 1.00 54.43 C ATOM 1521 C PHE A 96 12.685 -6.495 9.983 1.00 22.33 C ATOM 1522 O PHE A 96 12.996 -6.128 11.121 1.00 23.32 O ATOM 1523 CB PHE A 96 14.581 -6.438 8.255 1.00 72.21 C ATOM 1524 CG PHE A 96 15.621 -5.611 9.020 1.00 73.45 C ATOM 1525 CD1 PHE A 96 16.582 -6.240 9.816 1.00 11.25 C ATOM 1526 CD2 PHE A 96 15.646 -4.218 8.944 1.00 41.31 C ATOM 1527 CE1 PHE A 96 17.529 -5.504 10.505 1.00 11.41 C ATOM 1528 CE2 PHE A 96 16.595 -3.483 9.632 1.00 75.24 C ATOM 1529 CZ PHE A 96 17.535 -4.125 10.415 1.00 23.31 C ATOM 0 H PHE A 96 12.912 -8.041 7.303 1.00 63.52 H new ATOM 0 HA PHE A 96 14.302 -7.886 9.844 1.00 54.43 H new ATOM 0 HB2 PHE A 96 15.100 -7.069 7.533 1.00 72.21 H new ATOM 0 HB3 PHE A 96 13.946 -5.759 7.686 1.00 72.21 H new ATOM 0 HD1 PHE A 96 16.585 -7.317 9.894 1.00 11.25 H new ATOM 0 HD2 PHE A 96 14.913 -3.705 8.339 1.00 41.31 H new ATOM 0 HE1 PHE A 96 18.265 -6.008 11.114 1.00 11.41 H new ATOM 0 HE2 PHE A 96 16.601 -2.406 9.557 1.00 75.24 H new ATOM 0 HZ PHE A 96 18.273 -3.551 10.955 1.00 23.31 H new ATOM 1539 N PHE A 97 11.491 -6.230 9.404 1.00 71.31 N ATOM 1540 CA PHE A 97 10.396 -5.435 10.027 1.00 43.21 C ATOM 1541 C PHE A 97 10.846 -4.007 10.418 1.00 33.31 C ATOM 1542 O PHE A 97 10.500 -3.494 11.496 1.00 63.22 O ATOM 1543 CB PHE A 97 9.761 -6.188 11.229 1.00 70.34 C ATOM 1544 CG PHE A 97 8.952 -7.422 10.839 1.00 50.44 C ATOM 1545 CD1 PHE A 97 7.666 -7.286 10.317 1.00 51.42 C ATOM 1546 CD2 PHE A 97 9.464 -8.710 11.003 1.00 11.54 C ATOM 1547 CE1 PHE A 97 6.925 -8.394 9.975 1.00 21.31 C ATOM 1548 CE2 PHE A 97 8.718 -9.820 10.661 1.00 53.02 C ATOM 1549 CZ PHE A 97 7.447 -9.660 10.148 1.00 53.34 C ATOM 0 H PHE A 97 11.253 -6.568 8.472 1.00 71.31 H new ATOM 0 HA PHE A 97 9.624 -5.316 9.267 1.00 43.21 H new ATOM 0 HB2 PHE A 97 10.554 -6.489 11.914 1.00 70.34 H new ATOM 0 HB3 PHE A 97 9.114 -5.500 11.773 1.00 70.34 H new ATOM 0 HD1 PHE A 97 7.247 -6.300 10.180 1.00 51.42 H new ATOM 0 HD2 PHE A 97 10.459 -8.840 11.403 1.00 11.54 H new ATOM 0 HE1 PHE A 97 5.931 -8.273 9.570 1.00 21.31 H new ATOM 0 HE2 PHE A 97 9.128 -10.810 10.794 1.00 53.02 H new ATOM 0 HZ PHE A 97 6.860 -10.526 9.882 1.00 53.34 H new ATOM 1559 N GLN A 98 11.593 -3.379 9.504 1.00 72.11 N ATOM 1560 CA GLN A 98 12.058 -1.991 9.634 1.00 11.13 C ATOM 1561 C GLN A 98 12.475 -1.475 8.236 1.00 24.11 C ATOM 1562 O GLN A 98 11.929 -0.452 7.781 1.00 63.45 O ATOM 1563 CB GLN A 98 13.221 -1.903 10.656 1.00 53.11 C ATOM 1564 CG GLN A 98 13.787 -0.487 10.900 1.00 53.34 C ATOM 1565 CD GLN A 98 14.789 -0.423 12.060 1.00 74.35 C ATOM 1566 OE1 GLN A 98 14.697 -1.184 13.027 1.00 43.50 O ATOM 1567 NE2 GLN A 98 15.742 0.490 11.978 1.00 61.43 N ATOM 1568 OXT GLN A 98 13.288 -2.158 7.572 1.00 38.73 O ATOM 0 H GLN A 98 11.897 -3.826 8.639 1.00 72.11 H new ATOM 0 HA GLN A 98 11.256 -1.358 10.014 1.00 11.13 H new ATOM 0 HB2 GLN A 98 12.876 -2.306 11.608 1.00 53.11 H new ATOM 0 HB3 GLN A 98 14.032 -2.545 10.313 1.00 53.11 H new ATOM 0 HG2 GLN A 98 14.273 -0.136 9.990 1.00 53.34 H new ATOM 0 HG3 GLN A 98 12.962 0.196 11.104 1.00 53.34 H new ATOM 0 HE21 GLN A 98 15.791 1.104 11.165 1.00 61.43 H new ATOM 0 HE22 GLN A 98 16.428 0.580 12.728 1.00 61.43 H new TER 1577 GLN A 98 ATOM 1578 N GLY B 1 -2.262 5.313 16.411 1.00 13.25 N ATOM 1579 CA GLY B 1 -2.264 5.027 17.864 1.00 21.34 C ATOM 1580 C GLY B 1 -1.874 3.588 18.133 1.00 55.13 C ATOM 1581 O GLY B 1 -2.711 2.781 18.558 1.00 62.24 O ATOM 0 H1 GLY B 1 -2.879 6.127 16.217 1.00 13.25 H new ATOM 0 H2 GLY B 1 -1.293 5.531 16.101 1.00 13.25 H new ATOM 0 H3 GLY B 1 -2.612 4.482 15.893 1.00 13.25 H new ATOM 0 HA2 GLY B 1 -1.570 5.697 18.371 1.00 21.34 H new ATOM 0 HA3 GLY B 1 -3.254 5.223 18.276 1.00 21.34 H new ATOM 1587 N SER B 2 -0.595 3.251 17.872 1.00 31.31 N ATOM 1588 CA SER B 2 -0.099 1.865 17.956 1.00 52.24 C ATOM 1589 C SER B 2 1.206 1.781 18.766 1.00 74.52 C ATOM 1590 O SER B 2 2.037 2.701 18.735 1.00 64.50 O ATOM 1591 CB SER B 2 0.134 1.303 16.539 1.00 71.33 C ATOM 1592 OG SER B 2 0.466 -0.079 16.575 1.00 30.43 O ATOM 0 H SER B 2 0.118 3.928 17.599 1.00 31.31 H new ATOM 0 HA SER B 2 -0.855 1.271 18.469 1.00 52.24 H new ATOM 0 HB2 SER B 2 -0.763 1.447 15.937 1.00 71.33 H new ATOM 0 HB3 SER B 2 0.936 1.859 16.053 1.00 71.33 H new ATOM 0 HG SER B 2 0.027 -0.540 15.830 1.00 30.43 H new ATOM 1598 N MET B 3 1.356 0.661 19.498 1.00 23.15 N ATOM 1599 CA MET B 3 2.596 0.283 20.216 1.00 24.15 C ATOM 1600 C MET B 3 2.961 -1.186 19.898 1.00 51.10 C ATOM 1601 O MET B 3 4.001 -1.684 20.347 1.00 22.44 O ATOM 1602 CB MET B 3 2.430 0.473 21.755 1.00 15.21 C ATOM 1603 CG MET B 3 2.191 1.921 22.214 1.00 62.35 C ATOM 1604 SD MET B 3 1.973 2.059 23.999 1.00 21.11 S ATOM 1605 CE MET B 3 3.580 1.545 24.619 1.00 53.04 C ATOM 0 H MET B 3 0.607 -0.022 19.611 1.00 23.15 H new ATOM 0 HA MET B 3 3.401 0.935 19.878 1.00 24.15 H new ATOM 0 HB2 MET B 3 1.595 -0.141 22.093 1.00 15.21 H new ATOM 0 HB3 MET B 3 3.324 0.095 22.250 1.00 15.21 H new ATOM 0 HG2 MET B 3 3.034 2.539 21.906 1.00 62.35 H new ATOM 0 HG3 MET B 3 1.307 2.315 21.713 1.00 62.35 H new ATOM 0 HE1 MET B 3 3.682 1.848 25.661 1.00 53.04 H new ATOM 0 HE2 MET B 3 3.669 0.461 24.546 1.00 53.04 H new ATOM 0 HE3 MET B 3 4.366 2.014 24.027 1.00 53.04 H new ATOM 1615 N GLN B 4 2.090 -1.857 19.115 1.00 34.44 N ATOM 1616 CA GLN B 4 2.224 -3.271 18.745 1.00 53.11 C ATOM 1617 C GLN B 4 1.395 -3.511 17.465 1.00 34.13 C ATOM 1618 O GLN B 4 0.165 -3.636 17.501 1.00 34.22 O ATOM 1619 CB GLN B 4 1.811 -4.213 19.919 1.00 15.22 C ATOM 1620 CG GLN B 4 0.460 -3.882 20.599 1.00 71.34 C ATOM 1621 CD GLN B 4 0.132 -4.804 21.782 1.00 54.33 C ATOM 1622 OE1 GLN B 4 0.522 -5.972 21.807 1.00 11.34 O ATOM 1623 NE2 GLN B 4 -0.585 -4.290 22.764 1.00 64.45 N ATOM 0 H GLN B 4 1.260 -1.417 18.718 1.00 34.44 H new ATOM 0 HA GLN B 4 3.268 -3.510 18.540 1.00 53.11 H new ATOM 0 HB2 GLN B 4 1.767 -5.235 19.543 1.00 15.22 H new ATOM 0 HB3 GLN B 4 2.595 -4.185 20.676 1.00 15.22 H new ATOM 0 HG2 GLN B 4 0.480 -2.849 20.947 1.00 71.34 H new ATOM 0 HG3 GLN B 4 -0.338 -3.954 19.860 1.00 71.34 H new ATOM 0 HE21 GLN B 4 -0.894 -3.319 22.716 1.00 64.45 H new ATOM 0 HE22 GLN B 4 -0.830 -4.864 23.571 1.00 64.45 H new ATOM 1632 N ASN B 5 2.100 -3.519 16.336 1.00 23.41 N ATOM 1633 CA ASN B 5 1.508 -3.498 14.992 1.00 35.51 C ATOM 1634 C ASN B 5 1.148 -4.926 14.536 1.00 64.34 C ATOM 1635 O ASN B 5 -0.008 -5.225 14.215 1.00 31.12 O ATOM 1636 CB ASN B 5 2.528 -2.851 14.025 1.00 72.13 C ATOM 1637 CG ASN B 5 3.088 -1.516 14.551 1.00 60.32 C ATOM 1638 OD1 ASN B 5 3.979 -1.508 15.390 1.00 1.20 O ATOM 1639 ND2 ASN B 5 2.599 -0.393 14.055 1.00 31.55 N ATOM 0 H ASN B 5 3.120 -3.541 16.325 1.00 23.41 H new ATOM 0 HA ASN B 5 0.586 -2.917 14.998 1.00 35.51 H new ATOM 0 HB2 ASN B 5 3.352 -3.544 13.857 1.00 72.13 H new ATOM 0 HB3 ASN B 5 2.050 -2.684 13.060 1.00 72.13 H new ATOM 0 HD21 ASN B 5 2.964 0.506 14.371 1.00 31.55 H new ATOM 0 HD22 ASN B 5 1.856 -0.425 13.356 1.00 31.55 H new ATOM 1646 N THR B 6 2.168 -5.803 14.514 1.00 12.10 N ATOM 1647 CA THR B 6 2.018 -7.218 14.138 1.00 2.21 C ATOM 1648 C THR B 6 1.550 -8.049 15.359 1.00 23.22 C ATOM 1649 O THR B 6 2.357 -8.612 16.110 1.00 63.35 O ATOM 1650 CB THR B 6 3.355 -7.789 13.545 1.00 64.34 C ATOM 1651 OG1 THR B 6 4.424 -7.633 14.494 1.00 30.44 O ATOM 1652 CG2 THR B 6 3.749 -7.089 12.234 1.00 53.12 C ATOM 0 H THR B 6 3.125 -5.547 14.758 1.00 12.10 H new ATOM 0 HA THR B 6 1.257 -7.290 13.361 1.00 2.21 H new ATOM 0 HB THR B 6 3.186 -8.845 13.334 1.00 64.34 H new ATOM 0 HG1 THR B 6 4.152 -8.008 15.358 1.00 30.44 H new ATOM 0 HG21 THR B 6 4.680 -7.515 11.859 1.00 53.12 H new ATOM 0 HG22 THR B 6 2.961 -7.231 11.495 1.00 53.12 H new ATOM 0 HG23 THR B 6 3.886 -6.023 12.418 1.00 53.12 H new ATOM 1660 N THR B 7 0.236 -8.031 15.583 1.00 52.12 N ATOM 1661 CA THR B 7 -0.448 -8.851 16.594 1.00 24.22 C ATOM 1662 C THR B 7 -1.214 -9.970 15.858 1.00 35.05 C ATOM 1663 O THR B 7 -0.834 -10.328 14.748 1.00 23.22 O ATOM 1664 CB THR B 7 -1.417 -7.945 17.432 1.00 12.02 C ATOM 1665 OG1 THR B 7 -2.322 -7.252 16.555 1.00 74.22 O ATOM 1666 CG2 THR B 7 -0.652 -6.923 18.291 1.00 34.23 C ATOM 0 H THR B 7 -0.401 -7.433 15.056 1.00 52.12 H new ATOM 0 HA THR B 7 0.264 -9.301 17.286 1.00 24.22 H new ATOM 0 HB THR B 7 -1.974 -8.598 18.104 1.00 12.02 H new ATOM 0 HG1 THR B 7 -2.176 -7.549 15.633 1.00 74.22 H new ATOM 0 HG21 THR B 7 -1.362 -6.317 18.854 1.00 34.23 H new ATOM 0 HG22 THR B 7 0.005 -7.449 18.983 1.00 34.23 H new ATOM 0 HG23 THR B 7 -0.057 -6.278 17.645 1.00 34.23 H new ATOM 1674 N HIS B 8 -2.240 -10.567 16.484 1.00 62.32 N ATOM 1675 CA HIS B 8 -3.266 -11.348 15.738 1.00 25.33 C ATOM 1676 C HIS B 8 -4.614 -10.599 15.793 1.00 22.52 C ATOM 1677 O HIS B 8 -5.616 -11.070 15.253 1.00 70.33 O ATOM 1678 CB HIS B 8 -3.398 -12.806 16.268 1.00 4.41 C ATOM 1679 CG HIS B 8 -4.221 -12.991 17.521 1.00 35.43 C ATOM 1680 ND1 HIS B 8 -5.580 -13.232 17.488 1.00 23.52 N ATOM 1681 CD2 HIS B 8 -3.874 -13.019 18.830 1.00 44.44 C ATOM 1682 CE1 HIS B 8 -6.028 -13.398 18.714 1.00 41.54 C ATOM 1683 NE2 HIS B 8 -5.015 -13.277 19.548 1.00 74.34 N ATOM 0 H HIS B 8 -2.390 -10.531 17.492 1.00 62.32 H new ATOM 0 HA HIS B 8 -2.947 -11.435 14.699 1.00 25.33 H new ATOM 0 HB2 HIS B 8 -3.834 -13.419 15.479 1.00 4.41 H new ATOM 0 HB3 HIS B 8 -2.397 -13.194 16.456 1.00 4.41 H new ATOM 0 HD2 HIS B 8 -2.884 -12.867 19.234 1.00 44.44 H new ATOM 0 HE1 HIS B 8 -7.053 -13.599 18.990 1.00 41.54 H new ATOM 0 HE2 HIS B 8 -5.070 -13.361 20.563 1.00 74.34 H new ATOM 1692 N ASP B 9 -4.606 -9.428 16.471 1.00 62.24 N ATOM 1693 CA ASP B 9 -5.759 -8.519 16.565 1.00 75.24 C ATOM 1694 C ASP B 9 -5.976 -7.814 15.214 1.00 41.55 C ATOM 1695 O ASP B 9 -7.121 -7.569 14.803 1.00 24.34 O ATOM 1696 CB ASP B 9 -5.516 -7.489 17.703 1.00 23.23 C ATOM 1697 CG ASP B 9 -6.707 -6.545 17.938 1.00 43.14 C ATOM 1698 OD1 ASP B 9 -7.758 -7.015 18.419 1.00 51.43 O ATOM 1699 OD2 ASP B 9 -6.601 -5.335 17.644 1.00 1.35 O ATOM 0 H ASP B 9 -3.785 -9.089 16.973 1.00 62.24 H new ATOM 0 HA ASP B 9 -6.660 -9.086 16.801 1.00 75.24 H new ATOM 0 HB2 ASP B 9 -5.299 -8.025 18.627 1.00 23.23 H new ATOM 0 HB3 ASP B 9 -4.634 -6.896 17.463 1.00 23.23 H new ATOM 1704 N ASN B 10 -4.858 -7.499 14.522 1.00 20.03 N ATOM 1705 CA ASN B 10 -4.904 -7.039 13.123 1.00 32.24 C ATOM 1706 C ASN B 10 -5.115 -8.255 12.202 1.00 3.34 C ATOM 1707 O ASN B 10 -4.752 -9.390 12.546 1.00 2.22 O ATOM 1708 CB ASN B 10 -3.629 -6.237 12.700 1.00 34.11 C ATOM 1709 CG ASN B 10 -2.313 -7.028 12.776 1.00 22.24 C ATOM 1710 OD1 ASN B 10 -2.108 -7.833 13.677 1.00 61.21 O ATOM 1711 ND2 ASN B 10 -1.410 -6.818 11.824 1.00 61.45 N ATOM 0 H ASN B 10 -3.917 -7.556 14.912 1.00 20.03 H new ATOM 0 HA ASN B 10 -5.739 -6.345 13.028 1.00 32.24 H new ATOM 0 HB2 ASN B 10 -3.764 -5.881 11.679 1.00 34.11 H new ATOM 0 HB3 ASN B 10 -3.544 -5.356 13.336 1.00 34.11 H new ATOM 0 HD21 ASN B 10 -0.528 -7.331 11.835 1.00 61.45 H new ATOM 0 HD22 ASN B 10 -1.598 -6.144 11.082 1.00 61.45 H new ATOM 1718 N VAL B 11 -5.710 -8.004 11.037 1.00 52.34 N ATOM 1719 CA VAL B 11 -6.048 -9.036 10.046 1.00 55.14 C ATOM 1720 C VAL B 11 -5.382 -8.668 8.734 1.00 45.20 C ATOM 1721 O VAL B 11 -5.182 -7.489 8.441 1.00 33.22 O ATOM 1722 CB VAL B 11 -7.603 -9.219 9.837 1.00 33.15 C ATOM 1723 CG1 VAL B 11 -8.258 -9.862 11.080 1.00 53.04 C ATOM 1724 CG2 VAL B 11 -8.296 -7.879 9.473 1.00 62.01 C ATOM 0 H VAL B 11 -5.977 -7.064 10.746 1.00 52.34 H new ATOM 0 HA VAL B 11 -5.684 -9.993 10.419 1.00 55.14 H new ATOM 0 HB VAL B 11 -7.740 -9.896 8.993 1.00 33.15 H new ATOM 0 HG11 VAL B 11 -9.328 -9.976 10.909 1.00 53.04 H new ATOM 0 HG12 VAL B 11 -7.813 -10.840 11.261 1.00 53.04 H new ATOM 0 HG13 VAL B 11 -8.096 -9.223 11.948 1.00 53.04 H new ATOM 0 HG21 VAL B 11 -9.364 -8.047 9.337 1.00 62.01 H new ATOM 0 HG22 VAL B 11 -8.141 -7.159 10.277 1.00 62.01 H new ATOM 0 HG23 VAL B 11 -7.870 -7.488 8.549 1.00 62.01 H new ATOM 1734 N ILE B 12 -5.025 -9.691 7.971 1.00 45.32 N ATOM 1735 CA ILE B 12 -4.306 -9.551 6.708 1.00 64.21 C ATOM 1736 C ILE B 12 -5.321 -9.754 5.561 1.00 2.15 C ATOM 1737 O ILE B 12 -5.548 -10.872 5.102 1.00 31.11 O ATOM 1738 CB ILE B 12 -3.134 -10.615 6.642 1.00 1.35 C ATOM 1739 CG1 ILE B 12 -2.350 -10.697 7.980 1.00 41.24 C ATOM 1740 CG2 ILE B 12 -2.151 -10.306 5.516 1.00 2.13 C ATOM 1741 CD1 ILE B 12 -1.519 -9.479 8.335 1.00 70.42 C ATOM 0 H ILE B 12 -5.230 -10.660 8.215 1.00 45.32 H new ATOM 0 HA ILE B 12 -3.855 -8.562 6.619 1.00 64.21 H new ATOM 0 HB ILE B 12 -3.612 -11.575 6.448 1.00 1.35 H new ATOM 0 HG12 ILE B 12 -3.062 -10.875 8.786 1.00 41.24 H new ATOM 0 HG13 ILE B 12 -1.691 -11.564 7.940 1.00 41.24 H new ATOM 0 HG21 ILE B 12 -1.363 -11.059 5.505 1.00 2.13 H new ATOM 0 HG22 ILE B 12 -2.677 -10.316 4.561 1.00 2.13 H new ATOM 0 HG23 ILE B 12 -1.711 -9.322 5.677 1.00 2.13 H new ATOM 0 HD11 ILE B 12 -1.016 -9.647 9.287 1.00 70.42 H new ATOM 0 HD12 ILE B 12 -0.775 -9.307 7.557 1.00 70.42 H new ATOM 0 HD13 ILE B 12 -2.168 -8.607 8.416 1.00 70.42 H new ATOM 1753 N LEU B 13 -5.963 -8.661 5.135 1.00 42.41 N ATOM 1754 CA LEU B 13 -7.066 -8.715 4.158 1.00 21.24 C ATOM 1755 C LEU B 13 -6.507 -8.662 2.737 1.00 71.41 C ATOM 1756 O LEU B 13 -6.187 -7.589 2.229 1.00 61.10 O ATOM 1757 CB LEU B 13 -8.054 -7.539 4.401 1.00 71.13 C ATOM 1758 CG LEU B 13 -8.748 -7.520 5.796 1.00 74.34 C ATOM 1759 CD1 LEU B 13 -9.623 -6.267 5.974 1.00 60.54 C ATOM 1760 CD2 LEU B 13 -9.563 -8.809 6.030 1.00 11.24 C ATOM 0 H LEU B 13 -5.738 -7.718 5.453 1.00 42.41 H new ATOM 0 HA LEU B 13 -7.608 -9.652 4.284 1.00 21.24 H new ATOM 0 HB2 LEU B 13 -7.514 -6.601 4.271 1.00 71.13 H new ATOM 0 HB3 LEU B 13 -8.826 -7.571 3.632 1.00 71.13 H new ATOM 0 HG LEU B 13 -7.964 -7.480 6.552 1.00 74.34 H new ATOM 0 HD11 LEU B 13 -10.091 -6.287 6.958 1.00 60.54 H new ATOM 0 HD12 LEU B 13 -9.003 -5.375 5.885 1.00 60.54 H new ATOM 0 HD13 LEU B 13 -10.395 -6.250 5.205 1.00 60.54 H new ATOM 0 HD21 LEU B 13 -10.036 -8.767 7.011 1.00 11.24 H new ATOM 0 HD22 LEU B 13 -10.330 -8.899 5.261 1.00 11.24 H new ATOM 0 HD23 LEU B 13 -8.899 -9.673 5.983 1.00 11.24 H new ATOM 1772 N GLU B 14 -6.372 -9.836 2.104 1.00 10.41 N ATOM 1773 CA GLU B 14 -5.850 -9.926 0.741 1.00 65.45 C ATOM 1774 C GLU B 14 -6.977 -9.766 -0.269 1.00 23.10 C ATOM 1775 O GLU B 14 -7.949 -10.515 -0.265 1.00 51.35 O ATOM 1776 CB GLU B 14 -5.114 -11.257 0.486 1.00 13.12 C ATOM 1777 CG GLU B 14 -5.855 -12.532 0.905 1.00 34.24 C ATOM 1778 CD GLU B 14 -5.258 -13.794 0.281 1.00 41.11 C ATOM 1779 OE1 GLU B 14 -4.208 -14.278 0.766 1.00 24.54 O ATOM 1780 OE2 GLU B 14 -5.816 -14.282 -0.734 1.00 11.15 O ATOM 0 H GLU B 14 -6.619 -10.735 2.518 1.00 10.41 H new ATOM 0 HA GLU B 14 -5.129 -9.117 0.621 1.00 65.45 H new ATOM 0 HB2 GLU B 14 -4.889 -11.326 -0.578 1.00 13.12 H new ATOM 0 HB3 GLU B 14 -4.160 -11.227 1.012 1.00 13.12 H new ATOM 0 HG2 GLU B 14 -5.830 -12.622 1.991 1.00 34.24 H new ATOM 0 HG3 GLU B 14 -6.903 -12.450 0.616 1.00 34.24 H new ATOM 1787 N LEU B 15 -6.848 -8.764 -1.121 1.00 73.23 N ATOM 1788 CA LEU B 15 -7.706 -8.598 -2.281 1.00 42.41 C ATOM 1789 C LEU B 15 -6.827 -8.561 -3.531 1.00 45.23 C ATOM 1790 O LEU B 15 -5.919 -7.735 -3.649 1.00 23.53 O ATOM 1791 CB LEU B 15 -8.655 -7.360 -2.112 1.00 3.44 C ATOM 1792 CG LEU B 15 -8.113 -6.136 -1.281 1.00 52.32 C ATOM 1793 CD1 LEU B 15 -7.238 -5.184 -2.119 1.00 0.50 C ATOM 1794 CD2 LEU B 15 -9.258 -5.372 -0.581 1.00 43.51 C ATOM 0 H LEU B 15 -6.139 -8.037 -1.026 1.00 73.23 H new ATOM 0 HA LEU B 15 -8.385 -9.444 -2.388 1.00 42.41 H new ATOM 0 HB2 LEU B 15 -8.919 -7.001 -3.107 1.00 3.44 H new ATOM 0 HB3 LEU B 15 -9.576 -7.704 -1.642 1.00 3.44 H new ATOM 0 HG LEU B 15 -7.467 -6.555 -0.510 1.00 52.32 H new ATOM 0 HD11 LEU B 15 -6.894 -4.361 -1.493 1.00 0.50 H new ATOM 0 HD12 LEU B 15 -6.378 -5.728 -2.508 1.00 0.50 H new ATOM 0 HD13 LEU B 15 -7.823 -4.789 -2.949 1.00 0.50 H new ATOM 0 HD21 LEU B 15 -8.846 -4.535 -0.018 1.00 43.51 H new ATOM 0 HD22 LEU B 15 -9.956 -4.997 -1.329 1.00 43.51 H new ATOM 0 HD23 LEU B 15 -9.781 -6.044 0.099 1.00 43.51 H new ATOM 1806 N THR B 16 -7.078 -9.521 -4.430 1.00 30.54 N ATOM 1807 CA THR B 16 -6.413 -9.589 -5.719 1.00 23.01 C ATOM 1808 C THR B 16 -7.190 -8.673 -6.646 1.00 1.24 C ATOM 1809 O THR B 16 -8.307 -8.984 -7.037 1.00 43.31 O ATOM 1810 CB THR B 16 -6.388 -11.039 -6.310 1.00 22.24 C ATOM 1811 OG1 THR B 16 -5.688 -11.919 -5.421 1.00 33.24 O ATOM 1812 CG2 THR B 16 -5.723 -11.074 -7.705 1.00 52.14 C ATOM 0 H THR B 16 -7.752 -10.271 -4.275 1.00 30.54 H new ATOM 0 HA THR B 16 -5.371 -9.288 -5.609 1.00 23.01 H new ATOM 0 HB THR B 16 -7.421 -11.370 -6.419 1.00 22.24 H new ATOM 0 HG1 THR B 16 -5.678 -12.824 -5.797 1.00 33.24 H new ATOM 0 HG21 THR B 16 -5.724 -12.096 -8.083 1.00 52.14 H new ATOM 0 HG22 THR B 16 -6.279 -10.434 -8.389 1.00 52.14 H new ATOM 0 HG23 THR B 16 -4.696 -10.717 -7.628 1.00 52.14 H new ATOM 1820 N VAL B 17 -6.625 -7.499 -6.890 1.00 43.50 N ATOM 1821 CA VAL B 17 -7.198 -6.501 -7.781 1.00 4.42 C ATOM 1822 C VAL B 17 -6.458 -6.534 -9.110 1.00 71.52 C ATOM 1823 O VAL B 17 -5.331 -6.998 -9.189 1.00 32.21 O ATOM 1824 CB VAL B 17 -7.141 -5.050 -7.171 1.00 11.01 C ATOM 1825 CG1 VAL B 17 -7.630 -5.046 -5.704 1.00 25.42 C ATOM 1826 CG2 VAL B 17 -5.745 -4.392 -7.320 1.00 5.31 C ATOM 0 H VAL B 17 -5.743 -7.209 -6.468 1.00 43.50 H new ATOM 0 HA VAL B 17 -8.250 -6.747 -7.926 1.00 4.42 H new ATOM 0 HB VAL B 17 -7.826 -4.432 -7.752 1.00 11.01 H new ATOM 0 HG11 VAL B 17 -7.580 -4.032 -5.307 1.00 25.42 H new ATOM 0 HG12 VAL B 17 -8.659 -5.402 -5.663 1.00 25.42 H new ATOM 0 HG13 VAL B 17 -6.995 -5.701 -5.107 1.00 25.42 H new ATOM 0 HG21 VAL B 17 -5.765 -3.394 -6.882 1.00 5.31 H new ATOM 0 HG22 VAL B 17 -5.000 -4.999 -6.806 1.00 5.31 H new ATOM 0 HG23 VAL B 17 -5.488 -4.320 -8.377 1.00 5.31 H new ATOM 1836 N ARG B 18 -7.128 -6.103 -10.152 1.00 1.43 N ATOM 1837 CA ARG B 18 -6.470 -5.723 -11.411 1.00 54.14 C ATOM 1838 C ARG B 18 -6.122 -4.236 -11.337 1.00 2.54 C ATOM 1839 O ARG B 18 -6.803 -3.495 -10.615 1.00 22.14 O ATOM 1840 CB ARG B 18 -7.373 -6.065 -12.610 1.00 61.33 C ATOM 1841 CG ARG B 18 -8.867 -5.703 -12.425 1.00 44.43 C ATOM 1842 CD ARG B 18 -9.754 -6.255 -13.547 1.00 44.31 C ATOM 1843 NE ARG B 18 -9.439 -5.648 -14.853 1.00 3.43 N ATOM 1844 CZ ARG B 18 -10.335 -5.362 -15.812 1.00 41.31 C ATOM 1845 NH1 ARG B 18 -11.630 -5.621 -15.639 1.00 23.11 N ATOM 1846 NH2 ARG B 18 -9.918 -4.823 -16.946 1.00 43.44 N ATOM 0 H ARG B 18 -8.143 -6.001 -10.166 1.00 1.43 H new ATOM 0 HA ARG B 18 -5.548 -6.286 -11.555 1.00 54.14 H new ATOM 0 HB2 ARG B 18 -6.995 -5.546 -13.491 1.00 61.33 H new ATOM 0 HB3 ARG B 18 -7.295 -7.133 -12.812 1.00 61.33 H new ATOM 0 HG2 ARG B 18 -9.215 -6.092 -11.468 1.00 44.43 H new ATOM 0 HG3 ARG B 18 -8.971 -4.619 -12.385 1.00 44.43 H new ATOM 0 HD2 ARG B 18 -9.627 -7.336 -13.610 1.00 44.31 H new ATOM 0 HD3 ARG B 18 -10.801 -6.070 -13.305 1.00 44.31 H new ATOM 0 HE ARG B 18 -8.462 -5.427 -15.044 1.00 3.43 H new ATOM 0 HH11 ARG B 18 -11.954 -6.043 -14.768 1.00 23.11 H new ATOM 0 HH12 ARG B 18 -12.298 -5.398 -16.377 1.00 23.11 H new ATOM 0 HH21 ARG B 18 -8.926 -4.629 -17.084 1.00 43.44 H new ATOM 0 HH22 ARG B 18 -10.588 -4.601 -17.682 1.00 43.44 H new ATOM 1860 N ASN B 19 -5.046 -3.814 -12.044 1.00 61.12 N ATOM 1861 CA ASN B 19 -4.546 -2.422 -11.994 1.00 71.35 C ATOM 1862 C ASN B 19 -5.531 -1.471 -12.720 1.00 32.30 C ATOM 1863 O ASN B 19 -5.355 -1.113 -13.886 1.00 32.05 O ATOM 1864 CB ASN B 19 -3.081 -2.310 -12.541 1.00 43.11 C ATOM 1865 CG ASN B 19 -2.028 -2.992 -11.637 1.00 73.55 C ATOM 1866 OD1 ASN B 19 -2.300 -4.028 -11.024 1.00 61.22 O ATOM 1867 ND2 ASN B 19 -0.843 -2.393 -11.509 1.00 40.23 N ATOM 0 H ASN B 19 -4.506 -4.423 -12.659 1.00 61.12 H new ATOM 0 HA ASN B 19 -4.498 -2.109 -10.951 1.00 71.35 H new ATOM 0 HB2 ASN B 19 -3.038 -2.756 -13.535 1.00 43.11 H new ATOM 0 HB3 ASN B 19 -2.824 -1.257 -12.653 1.00 43.11 H new ATOM 0 HD21 ASN B 19 -0.135 -2.791 -10.892 1.00 40.23 H new ATOM 0 HD22 ASN B 19 -0.645 -1.537 -12.028 1.00 40.23 H new ATOM 1874 N HIS B 20 -6.613 -1.155 -11.998 1.00 60.21 N ATOM 1875 CA HIS B 20 -7.684 -0.238 -12.407 1.00 24.55 C ATOM 1876 C HIS B 20 -7.258 1.206 -12.058 1.00 11.12 C ATOM 1877 O HIS B 20 -6.470 1.381 -11.118 1.00 33.33 O ATOM 1878 CB HIS B 20 -8.992 -0.672 -11.655 1.00 52.31 C ATOM 1879 CG HIS B 20 -10.231 0.142 -11.937 1.00 61.14 C ATOM 1880 ND1 HIS B 20 -11.134 -0.186 -12.922 1.00 2.22 N ATOM 1881 CD2 HIS B 20 -10.743 1.238 -11.323 1.00 24.22 C ATOM 1882 CE1 HIS B 20 -12.130 0.668 -12.910 1.00 55.41 C ATOM 1883 NE2 HIS B 20 -11.919 1.539 -11.947 1.00 51.33 N ATOM 0 H HIS B 20 -6.773 -1.549 -11.071 1.00 60.21 H new ATOM 0 HA HIS B 20 -7.872 -0.274 -13.480 1.00 24.55 H new ATOM 0 HB2 HIS B 20 -9.202 -1.711 -11.907 1.00 52.31 H new ATOM 0 HB3 HIS B 20 -8.797 -0.637 -10.583 1.00 52.31 H new ATOM 0 HD2 HIS B 20 -10.302 1.773 -10.495 1.00 24.22 H new ATOM 0 HE1 HIS B 20 -12.979 0.658 -13.577 1.00 55.41 H new ATOM 0 HE2 HIS B 20 -12.535 2.315 -11.705 1.00 51.33 H new ATOM 1892 N PRO B 21 -7.704 2.250 -12.845 1.00 55.25 N ATOM 1893 CA PRO B 21 -7.450 3.682 -12.529 1.00 32.14 C ATOM 1894 C PRO B 21 -7.574 4.045 -11.020 1.00 3.11 C ATOM 1895 O PRO B 21 -8.683 4.186 -10.483 1.00 74.35 O ATOM 1896 CB PRO B 21 -8.527 4.393 -13.379 1.00 43.13 C ATOM 1897 CG PRO B 21 -8.633 3.549 -14.620 1.00 11.13 C ATOM 1898 CD PRO B 21 -8.411 2.116 -14.163 1.00 70.10 C ATOM 0 HA PRO B 21 -6.424 3.973 -12.753 1.00 32.14 H new ATOM 0 HB2 PRO B 21 -9.479 4.447 -12.851 1.00 43.13 H new ATOM 0 HB3 PRO B 21 -8.236 5.416 -13.617 1.00 43.13 H new ATOM 0 HG2 PRO B 21 -9.610 3.663 -15.089 1.00 11.13 H new ATOM 0 HG3 PRO B 21 -7.888 3.844 -15.359 1.00 11.13 H new ATOM 0 HD2 PRO B 21 -9.355 1.583 -14.055 1.00 70.10 H new ATOM 0 HD3 PRO B 21 -7.810 1.558 -14.881 1.00 70.10 H new ATOM 1906 N GLY B 22 -6.395 4.130 -10.363 1.00 71.41 N ATOM 1907 CA GLY B 22 -6.266 4.515 -8.958 1.00 22.40 C ATOM 1908 C GLY B 22 -6.990 3.583 -7.985 1.00 75.15 C ATOM 1909 O GLY B 22 -7.840 4.045 -7.228 1.00 12.43 O ATOM 0 H GLY B 22 -5.500 3.928 -10.809 1.00 71.41 H new ATOM 0 HA2 GLY B 22 -5.208 4.545 -8.696 1.00 22.40 H new ATOM 0 HA3 GLY B 22 -6.654 5.526 -8.832 1.00 22.40 H new ATOM 1913 N VAL B 23 -6.657 2.268 -8.009 1.00 30.14 N ATOM 1914 CA VAL B 23 -7.246 1.277 -7.066 1.00 41.31 C ATOM 1915 C VAL B 23 -6.997 1.680 -5.603 1.00 43.23 C ATOM 1916 O VAL B 23 -7.879 1.569 -4.750 1.00 44.41 O ATOM 1917 CB VAL B 23 -6.671 -0.180 -7.246 1.00 4.44 C ATOM 1918 CG1 VAL B 23 -7.348 -1.166 -6.261 1.00 21.54 C ATOM 1919 CG2 VAL B 23 -6.806 -0.681 -8.688 1.00 72.02 C ATOM 0 H VAL B 23 -5.987 1.868 -8.667 1.00 30.14 H new ATOM 0 HA VAL B 23 -8.310 1.273 -7.302 1.00 41.31 H new ATOM 0 HB VAL B 23 -5.606 -0.133 -7.017 1.00 4.44 H new ATOM 0 HG11 VAL B 23 -6.935 -2.164 -6.404 1.00 21.54 H new ATOM 0 HG12 VAL B 23 -7.164 -0.841 -5.237 1.00 21.54 H new ATOM 0 HG13 VAL B 23 -8.422 -1.187 -6.448 1.00 21.54 H new ATOM 0 HG21 VAL B 23 -6.397 -1.688 -8.763 1.00 72.02 H new ATOM 0 HG22 VAL B 23 -7.858 -0.695 -8.971 1.00 72.02 H new ATOM 0 HG23 VAL B 23 -6.259 -0.016 -9.357 1.00 72.02 H new ATOM 1929 N MET B 24 -5.775 2.145 -5.339 1.00 51.43 N ATOM 1930 CA MET B 24 -5.288 2.382 -3.978 1.00 62.12 C ATOM 1931 C MET B 24 -6.051 3.502 -3.254 1.00 32.11 C ATOM 1932 O MET B 24 -6.176 3.457 -2.036 1.00 3.45 O ATOM 1933 CB MET B 24 -3.770 2.637 -3.989 1.00 41.33 C ATOM 1934 CG MET B 24 -2.936 1.406 -4.374 1.00 41.30 C ATOM 1935 SD MET B 24 -3.265 -0.043 -3.322 1.00 34.21 S ATOM 1936 CE MET B 24 -2.979 0.577 -1.657 1.00 72.13 C ATOM 0 H MET B 24 -5.093 2.369 -6.064 1.00 51.43 H new ATOM 0 HA MET B 24 -5.482 1.476 -3.403 1.00 62.12 H new ATOM 0 HB2 MET B 24 -3.552 3.445 -4.688 1.00 41.33 H new ATOM 0 HB3 MET B 24 -3.461 2.978 -3.001 1.00 41.33 H new ATOM 0 HG2 MET B 24 -3.141 1.147 -5.413 1.00 41.30 H new ATOM 0 HG3 MET B 24 -1.878 1.659 -4.312 1.00 41.30 H new ATOM 0 HE1 MET B 24 -2.446 -0.175 -1.075 1.00 72.13 H new ATOM 0 HE2 MET B 24 -2.382 1.488 -1.705 1.00 72.13 H new ATOM 0 HE3 MET B 24 -3.935 0.794 -1.180 1.00 72.13 H new ATOM 1946 N THR B 25 -6.575 4.486 -3.997 1.00 33.53 N ATOM 1947 CA THR B 25 -7.425 5.541 -3.408 1.00 3.43 C ATOM 1948 C THR B 25 -8.818 4.982 -3.047 1.00 10.33 C ATOM 1949 O THR B 25 -9.454 5.454 -2.097 1.00 65.22 O ATOM 1950 CB THR B 25 -7.557 6.764 -4.368 1.00 64.20 C ATOM 1951 OG1 THR B 25 -7.976 6.320 -5.666 1.00 44.40 O ATOM 1952 CG2 THR B 25 -6.232 7.536 -4.488 1.00 73.22 C ATOM 0 H THR B 25 -6.429 4.577 -5.002 1.00 33.53 H new ATOM 0 HA THR B 25 -6.942 5.884 -2.493 1.00 3.43 H new ATOM 0 HB THR B 25 -8.303 7.439 -3.948 1.00 64.20 H new ATOM 0 HG1 THR B 25 -8.059 7.091 -6.265 1.00 44.40 H new ATOM 0 HG21 THR B 25 -6.363 8.380 -5.165 1.00 73.22 H new ATOM 0 HG22 THR B 25 -5.933 7.901 -3.505 1.00 73.22 H new ATOM 0 HG23 THR B 25 -5.459 6.874 -4.879 1.00 73.22 H new ATOM 1960 N HIS B 26 -9.270 3.965 -3.815 1.00 3.14 N ATOM 1961 CA HIS B 26 -10.547 3.271 -3.566 1.00 61.00 C ATOM 1962 C HIS B 26 -10.440 2.452 -2.270 1.00 4.04 C ATOM 1963 O HIS B 26 -11.276 2.599 -1.371 1.00 33.13 O ATOM 1964 CB HIS B 26 -10.938 2.334 -4.750 1.00 5.01 C ATOM 1965 CG HIS B 26 -11.123 3.014 -6.085 1.00 0.02 C ATOM 1966 ND1 HIS B 26 -11.720 2.395 -7.158 1.00 71.42 N ATOM 1967 CD2 HIS B 26 -10.756 4.236 -6.532 1.00 2.41 C ATOM 1968 CE1 HIS B 26 -11.712 3.200 -8.195 1.00 23.11 C ATOM 1969 NE2 HIS B 26 -11.130 4.325 -7.845 1.00 44.34 N ATOM 0 H HIS B 26 -8.759 3.606 -4.621 1.00 3.14 H new ATOM 0 HA HIS B 26 -11.327 4.026 -3.470 1.00 61.00 H new ATOM 0 HB2 HIS B 26 -10.168 1.570 -4.855 1.00 5.01 H new ATOM 0 HB3 HIS B 26 -11.864 1.820 -4.493 1.00 5.01 H new ATOM 0 HD1 HIS B 26 -12.110 1.453 -7.149 1.00 71.42 H new ATOM 0 HD2 HIS B 26 -10.258 5.003 -5.957 1.00 2.41 H new ATOM 0 HE1 HIS B 26 -12.116 2.975 -9.171 1.00 23.11 H new ATOM 1978 N VAL B 27 -9.374 1.617 -2.174 1.00 31.44 N ATOM 1979 CA VAL B 27 -9.176 0.715 -1.028 1.00 11.54 C ATOM 1980 C VAL B 27 -8.975 1.530 0.265 1.00 2.33 C ATOM 1981 O VAL B 27 -9.720 1.354 1.229 1.00 21.10 O ATOM 1982 CB VAL B 27 -8.010 -0.352 -1.252 1.00 65.31 C ATOM 1983 CG1 VAL B 27 -8.192 -1.107 -2.590 1.00 71.34 C ATOM 1984 CG2 VAL B 27 -6.592 0.247 -1.163 1.00 73.12 C ATOM 0 H VAL B 27 -8.642 1.555 -2.881 1.00 31.44 H new ATOM 0 HA VAL B 27 -10.085 0.123 -0.928 1.00 11.54 H new ATOM 0 HB VAL B 27 -8.099 -1.057 -0.426 1.00 65.31 H new ATOM 0 HG11 VAL B 27 -7.383 -1.827 -2.715 1.00 71.34 H new ATOM 0 HG12 VAL B 27 -9.147 -1.632 -2.584 1.00 71.34 H new ATOM 0 HG13 VAL B 27 -8.174 -0.395 -3.415 1.00 71.34 H new ATOM 0 HG21 VAL B 27 -5.854 -0.539 -1.326 1.00 73.12 H new ATOM 0 HG22 VAL B 27 -6.474 1.018 -1.924 1.00 73.12 H new ATOM 0 HG23 VAL B 27 -6.443 0.685 -0.176 1.00 73.12 H new ATOM 1994 N CYS B 28 -8.050 2.513 0.212 1.00 55.11 N ATOM 1995 CA CYS B 28 -7.714 3.381 1.351 1.00 12.00 C ATOM 1996 C CYS B 28 -8.935 4.219 1.785 1.00 43.11 C ATOM 1997 O CYS B 28 -9.039 4.584 2.955 1.00 62.23 O ATOM 1998 CB CYS B 28 -6.515 4.276 0.986 1.00 54.14 C ATOM 1999 SG CYS B 28 -5.016 3.341 0.608 1.00 22.42 S ATOM 0 H CYS B 28 -7.515 2.724 -0.630 1.00 55.11 H new ATOM 0 HA CYS B 28 -7.433 2.759 2.201 1.00 12.00 H new ATOM 0 HB2 CYS B 28 -6.778 4.891 0.126 1.00 54.14 H new ATOM 0 HB3 CYS B 28 -6.312 4.956 1.814 1.00 54.14 H new ATOM 0 HG CYS B 28 -4.999 3.042 -0.657 1.00 22.42 H new ATOM 2005 N GLY B 29 -9.843 4.499 0.820 1.00 54.00 N ATOM 2006 CA GLY B 29 -11.134 5.132 1.101 1.00 60.34 C ATOM 2007 C GLY B 29 -11.981 4.328 2.091 1.00 13.05 C ATOM 2008 O GLY B 29 -12.454 4.882 3.087 1.00 20.43 O ATOM 0 H GLY B 29 -9.693 4.290 -0.167 1.00 54.00 H new ATOM 0 HA2 GLY B 29 -10.965 6.132 1.501 1.00 60.34 H new ATOM 0 HA3 GLY B 29 -11.686 5.251 0.169 1.00 60.34 H new ATOM 2012 N LEU B 30 -12.115 3.002 1.835 1.00 73.43 N ATOM 2013 CA LEU B 30 -12.930 2.079 2.672 1.00 64.30 C ATOM 2014 C LEU B 30 -12.375 1.938 4.110 1.00 11.12 C ATOM 2015 O LEU B 30 -13.145 1.904 5.083 1.00 44.30 O ATOM 2016 CB LEU B 30 -13.076 0.668 2.006 1.00 51.52 C ATOM 2017 CG LEU B 30 -14.226 0.515 0.948 1.00 5.51 C ATOM 2018 CD1 LEU B 30 -15.602 0.900 1.543 1.00 32.42 C ATOM 2019 CD2 LEU B 30 -13.931 1.293 -0.356 1.00 21.32 C ATOM 0 H LEU B 30 -11.663 2.542 1.045 1.00 73.43 H new ATOM 0 HA LEU B 30 -13.919 2.531 2.743 1.00 64.30 H new ATOM 0 HB2 LEU B 30 -12.131 0.418 1.523 1.00 51.52 H new ATOM 0 HB3 LEU B 30 -13.236 -0.068 2.794 1.00 51.52 H new ATOM 0 HG LEU B 30 -14.268 -0.541 0.680 1.00 5.51 H new ATOM 0 HD11 LEU B 30 -16.373 0.782 0.782 1.00 32.42 H new ATOM 0 HD12 LEU B 30 -15.826 0.252 2.391 1.00 32.42 H new ATOM 0 HD13 LEU B 30 -15.577 1.938 1.876 1.00 32.42 H new ATOM 0 HD21 LEU B 30 -14.755 1.156 -1.056 1.00 21.32 H new ATOM 0 HD22 LEU B 30 -13.820 2.353 -0.130 1.00 21.32 H new ATOM 0 HD23 LEU B 30 -13.010 0.919 -0.803 1.00 21.32 H new ATOM 2031 N PHE B 31 -11.049 1.857 4.238 1.00 31.03 N ATOM 2032 CA PHE B 31 -10.382 1.649 5.545 1.00 0.31 C ATOM 2033 C PHE B 31 -10.308 2.951 6.366 1.00 70.34 C ATOM 2034 O PHE B 31 -10.345 2.912 7.604 1.00 42.44 O ATOM 2035 CB PHE B 31 -8.980 1.024 5.330 1.00 50.22 C ATOM 2036 CG PHE B 31 -9.054 -0.400 4.765 1.00 32.43 C ATOM 2037 CD1 PHE B 31 -9.133 -0.629 3.395 1.00 53.03 C ATOM 2038 CD2 PHE B 31 -9.083 -1.504 5.608 1.00 62.41 C ATOM 2039 CE1 PHE B 31 -9.246 -1.907 2.882 1.00 24.35 C ATOM 2040 CE2 PHE B 31 -9.202 -2.781 5.097 1.00 34.21 C ATOM 2041 CZ PHE B 31 -9.279 -2.984 3.735 1.00 21.32 C ATOM 0 H PHE B 31 -10.403 1.932 3.452 1.00 31.03 H new ATOM 0 HA PHE B 31 -10.983 0.952 6.129 1.00 0.31 H new ATOM 0 HB2 PHE B 31 -8.406 1.652 4.649 1.00 50.22 H new ATOM 0 HB3 PHE B 31 -8.443 1.008 6.279 1.00 50.22 H new ATOM 0 HD1 PHE B 31 -9.105 0.211 2.717 1.00 53.03 H new ATOM 0 HD2 PHE B 31 -9.012 -1.361 6.676 1.00 62.41 H new ATOM 0 HE1 PHE B 31 -9.308 -2.059 1.815 1.00 24.35 H new ATOM 0 HE2 PHE B 31 -9.235 -3.626 5.768 1.00 34.21 H new ATOM 0 HZ PHE B 31 -9.365 -3.986 3.340 1.00 21.32 H new ATOM 2051 N ALA B 32 -10.233 4.099 5.674 1.00 63.42 N ATOM 2052 CA ALA B 32 -10.187 5.426 6.320 1.00 60.14 C ATOM 2053 C ALA B 32 -11.569 5.837 6.869 1.00 10.33 C ATOM 2054 O ALA B 32 -11.653 6.449 7.939 1.00 64.52 O ATOM 2055 CB ALA B 32 -9.659 6.476 5.333 1.00 14.13 C ATOM 0 H ALA B 32 -10.203 4.137 4.655 1.00 63.42 H new ATOM 0 HA ALA B 32 -9.505 5.365 7.168 1.00 60.14 H new ATOM 0 HB1 ALA B 32 -9.629 7.451 5.820 1.00 14.13 H new ATOM 0 HB2 ALA B 32 -8.655 6.200 5.011 1.00 14.13 H new ATOM 0 HB3 ALA B 32 -10.317 6.524 4.466 1.00 14.13 H new ATOM 2061 N ARG B 33 -12.646 5.469 6.139 1.00 74.33 N ATOM 2062 CA ARG B 33 -14.041 5.857 6.489 1.00 62.41 C ATOM 2063 C ARG B 33 -14.638 4.974 7.607 1.00 64.55 C ATOM 2064 O ARG B 33 -15.763 5.229 8.058 1.00 24.20 O ATOM 2065 CB ARG B 33 -14.946 5.799 5.232 1.00 24.11 C ATOM 2066 CG ARG B 33 -15.174 4.377 4.684 1.00 24.52 C ATOM 2067 CD ARG B 33 -15.998 4.346 3.390 1.00 54.51 C ATOM 2068 NE ARG B 33 -17.362 4.850 3.601 1.00 22.24 N ATOM 2069 CZ ARG B 33 -18.402 4.666 2.775 1.00 44.44 C ATOM 2070 NH1 ARG B 33 -18.274 3.966 1.651 1.00 34.41 N ATOM 2071 NH2 ARG B 33 -19.574 5.196 3.088 1.00 14.35 N ATOM 0 H ARG B 33 -12.579 4.899 5.296 1.00 74.33 H new ATOM 0 HA ARG B 33 -14.001 6.878 6.867 1.00 62.41 H new ATOM 0 HB2 ARG B 33 -15.912 6.243 5.473 1.00 24.11 H new ATOM 0 HB3 ARG B 33 -14.500 6.411 4.448 1.00 24.11 H new ATOM 0 HG2 ARG B 33 -14.208 3.907 4.502 1.00 24.52 H new ATOM 0 HG3 ARG B 33 -15.681 3.780 5.443 1.00 24.52 H new ATOM 0 HD2 ARG B 33 -15.502 4.947 2.628 1.00 54.51 H new ATOM 0 HD3 ARG B 33 -16.042 3.325 3.011 1.00 54.51 H new ATOM 0 HE ARG B 33 -17.533 5.387 4.451 1.00 22.24 H new ATOM 0 HH11 ARG B 33 -17.372 3.558 1.404 1.00 34.41 H new ATOM 0 HH12 ARG B 33 -19.077 3.837 1.036 1.00 34.41 H new ATOM 0 HH21 ARG B 33 -19.676 5.736 3.947 1.00 14.35 H new ATOM 0 HH22 ARG B 33 -20.375 5.065 2.470 1.00 14.35 H new ATOM 2085 N ARG B 34 -13.900 3.925 8.028 1.00 2.23 N ATOM 2086 CA ARG B 34 -14.278 3.087 9.167 1.00 64.14 C ATOM 2087 C ARG B 34 -14.229 3.948 10.448 1.00 53.02 C ATOM 2088 O ARG B 34 -15.270 4.338 10.987 1.00 42.25 O ATOM 2089 CB ARG B 34 -13.305 1.869 9.262 1.00 20.21 C ATOM 2090 CG ARG B 34 -13.380 1.062 10.587 1.00 33.22 C ATOM 2091 CD ARG B 34 -12.101 0.249 10.853 1.00 73.01 C ATOM 2092 NE ARG B 34 -11.986 -0.128 12.264 1.00 52.44 N ATOM 2093 CZ ARG B 34 -10.859 -0.510 12.870 1.00 53.42 C ATOM 2094 NH1 ARG B 34 -9.715 -0.553 12.200 1.00 4.34 N ATOM 2095 NH2 ARG B 34 -10.889 -0.850 14.148 1.00 34.35 N ATOM 0 H ARG B 34 -13.027 3.642 7.583 1.00 2.23 H new ATOM 0 HA ARG B 34 -15.289 2.699 9.043 1.00 64.14 H new ATOM 0 HB2 ARG B 34 -13.513 1.194 8.432 1.00 20.21 H new ATOM 0 HB3 ARG B 34 -12.284 2.229 9.132 1.00 20.21 H new ATOM 0 HG2 ARG B 34 -13.551 1.747 11.417 1.00 33.22 H new ATOM 0 HG3 ARG B 34 -14.235 0.387 10.550 1.00 33.22 H new ATOM 0 HD2 ARG B 34 -12.105 -0.649 10.235 1.00 73.01 H new ATOM 0 HD3 ARG B 34 -11.229 0.834 10.560 1.00 73.01 H new ATOM 0 HE ARG B 34 -12.835 -0.096 12.829 1.00 52.44 H new ATOM 0 HH11 ARG B 34 -9.691 -0.293 11.214 1.00 4.34 H new ATOM 0 HH12 ARG B 34 -8.859 -0.846 12.671 1.00 4.34 H new ATOM 0 HH21 ARG B 34 -11.769 -0.819 14.663 1.00 34.35 H new ATOM 0 HH22 ARG B 34 -10.032 -1.143 14.618 1.00 34.35 H new ATOM 2109 N ALA B 35 -12.990 4.255 10.874 1.00 35.42 N ATOM 2110 CA ALA B 35 -12.680 5.035 12.086 1.00 5.24 C ATOM 2111 C ALA B 35 -11.161 5.068 12.248 1.00 53.13 C ATOM 2112 O ALA B 35 -10.539 6.134 12.307 1.00 1.24 O ATOM 2113 CB ALA B 35 -13.355 4.456 13.343 1.00 41.42 C ATOM 0 H ALA B 35 -12.154 3.959 10.371 1.00 35.42 H new ATOM 0 HA ALA B 35 -13.075 6.045 11.971 1.00 5.24 H new ATOM 0 HB1 ALA B 35 -13.096 5.066 14.209 1.00 41.42 H new ATOM 0 HB2 ALA B 35 -14.437 4.458 13.209 1.00 41.42 H new ATOM 0 HB3 ALA B 35 -13.011 3.434 13.503 1.00 41.42 H new ATOM 2119 N PHE B 36 -10.575 3.860 12.289 1.00 53.42 N ATOM 2120 CA PHE B 36 -9.121 3.659 12.391 1.00 44.02 C ATOM 2121 C PHE B 36 -8.570 3.365 10.990 1.00 71.45 C ATOM 2122 O PHE B 36 -9.182 2.602 10.231 1.00 25.42 O ATOM 2123 CB PHE B 36 -8.799 2.490 13.368 1.00 2.42 C ATOM 2124 CG PHE B 36 -7.301 2.193 13.563 1.00 75.41 C ATOM 2125 CD1 PHE B 36 -6.469 3.110 14.209 1.00 21.00 C ATOM 2126 CD2 PHE B 36 -6.727 1.002 13.107 1.00 41.11 C ATOM 2127 CE1 PHE B 36 -5.120 2.847 14.389 1.00 22.02 C ATOM 2128 CE2 PHE B 36 -5.380 0.741 13.288 1.00 72.53 C ATOM 2129 CZ PHE B 36 -4.576 1.664 13.929 1.00 51.44 C ATOM 0 H PHE B 36 -11.103 2.988 12.252 1.00 53.42 H new ATOM 0 HA PHE B 36 -8.650 4.558 12.788 1.00 44.02 H new ATOM 0 HB2 PHE B 36 -9.237 2.718 14.340 1.00 2.42 H new ATOM 0 HB3 PHE B 36 -9.288 1.587 13.002 1.00 2.42 H new ATOM 0 HD1 PHE B 36 -6.883 4.038 14.574 1.00 21.00 H new ATOM 0 HD2 PHE B 36 -7.346 0.273 12.605 1.00 41.11 H new ATOM 0 HE1 PHE B 36 -4.493 3.569 14.890 1.00 22.02 H new ATOM 0 HE2 PHE B 36 -4.957 -0.185 12.928 1.00 72.53 H new ATOM 0 HZ PHE B 36 -3.525 1.461 14.070 1.00 51.44 H new ATOM 2139 N ASN B 37 -7.411 3.967 10.672 1.00 41.30 N ATOM 2140 CA ASN B 37 -6.746 3.820 9.363 1.00 73.14 C ATOM 2141 C ASN B 37 -6.048 2.452 9.238 1.00 10.24 C ATOM 2142 O ASN B 37 -6.245 1.555 10.068 1.00 12.34 O ATOM 2143 CB ASN B 37 -5.726 4.978 9.161 1.00 11.23 C ATOM 2144 CG ASN B 37 -6.364 6.371 9.061 1.00 63.12 C ATOM 2145 OD1 ASN B 37 -5.769 7.363 9.489 1.00 60.43 O ATOM 2146 ND2 ASN B 37 -7.561 6.472 8.480 1.00 61.11 N ATOM 0 H ASN B 37 -6.905 4.573 11.318 1.00 41.30 H new ATOM 0 HA ASN B 37 -7.505 3.871 8.582 1.00 73.14 H new ATOM 0 HB2 ASN B 37 -5.020 4.973 9.991 1.00 11.23 H new ATOM 0 HB3 ASN B 37 -5.153 4.788 8.254 1.00 11.23 H new ATOM 0 HD21 ASN B 37 -8.005 7.385 8.382 1.00 61.11 H new ATOM 0 HD22 ASN B 37 -8.032 5.636 8.134 1.00 61.11 H new ATOM 2153 N VAL B 38 -5.254 2.292 8.171 1.00 42.24 N ATOM 2154 CA VAL B 38 -4.482 1.070 7.939 1.00 53.22 C ATOM 2155 C VAL B 38 -3.170 1.106 8.741 1.00 12.11 C ATOM 2156 O VAL B 38 -2.528 2.159 8.854 1.00 41.42 O ATOM 2157 CB VAL B 38 -4.161 0.862 6.412 1.00 43.25 C ATOM 2158 CG1 VAL B 38 -3.481 -0.499 6.182 1.00 1.40 C ATOM 2159 CG2 VAL B 38 -5.425 0.994 5.537 1.00 33.10 C ATOM 0 H VAL B 38 -5.131 3.003 7.450 1.00 42.24 H new ATOM 0 HA VAL B 38 -5.093 0.232 8.274 1.00 53.22 H new ATOM 0 HB VAL B 38 -3.473 1.652 6.112 1.00 43.25 H new ATOM 0 HG11 VAL B 38 -3.267 -0.624 5.121 1.00 1.40 H new ATOM 0 HG12 VAL B 38 -2.550 -0.541 6.747 1.00 1.40 H new ATOM 0 HG13 VAL B 38 -4.144 -1.298 6.515 1.00 1.40 H new ATOM 0 HG21 VAL B 38 -5.160 0.844 4.490 1.00 33.10 H new ATOM 0 HG22 VAL B 38 -6.156 0.243 5.838 1.00 33.10 H new ATOM 0 HG23 VAL B 38 -5.853 1.988 5.664 1.00 33.10 H new ATOM 2169 N GLU B 39 -2.807 -0.052 9.304 1.00 20.13 N ATOM 2170 CA GLU B 39 -1.552 -0.248 10.031 1.00 64.41 C ATOM 2171 C GLU B 39 -0.404 -0.535 9.032 1.00 72.01 C ATOM 2172 O GLU B 39 0.667 0.087 9.088 1.00 61.23 O ATOM 2173 CB GLU B 39 -1.730 -1.428 11.031 1.00 31.22 C ATOM 2174 CG GLU B 39 -0.621 -1.553 12.085 1.00 25.25 C ATOM 2175 CD GLU B 39 -0.608 -0.360 13.066 1.00 22.14 C ATOM 2176 OE1 GLU B 39 -1.328 -0.419 14.088 1.00 4.31 O ATOM 2177 OE2 GLU B 39 0.109 0.637 12.812 1.00 63.02 O ATOM 0 H GLU B 39 -3.387 -0.890 9.266 1.00 20.13 H new ATOM 0 HA GLU B 39 -1.295 0.653 10.587 1.00 64.41 H new ATOM 0 HB2 GLU B 39 -2.686 -1.311 11.542 1.00 31.22 H new ATOM 0 HB3 GLU B 39 -1.782 -2.359 10.467 1.00 31.22 H new ATOM 0 HG2 GLU B 39 -0.757 -2.479 12.644 1.00 25.25 H new ATOM 0 HG3 GLU B 39 0.346 -1.621 11.586 1.00 25.25 H new ATOM 2184 N GLY B 40 -0.664 -1.474 8.097 1.00 24.41 N ATOM 2185 CA GLY B 40 0.339 -1.931 7.124 1.00 51.04 C ATOM 2186 C GLY B 40 -0.294 -2.396 5.814 1.00 12.44 C ATOM 2187 O GLY B 40 -1.434 -2.824 5.808 1.00 41.31 O ATOM 0 H GLY B 40 -1.571 -1.931 7.999 1.00 24.41 H new ATOM 0 HA2 GLY B 40 1.039 -1.121 6.919 1.00 51.04 H new ATOM 0 HA3 GLY B 40 0.916 -2.749 7.557 1.00 51.04 H new ATOM 2191 N ILE B 41 0.440 -2.291 4.696 1.00 21.34 N ATOM 2192 CA ILE B 41 -0.039 -2.686 3.345 1.00 41.14 C ATOM 2193 C ILE B 41 1.059 -3.494 2.635 1.00 73.23 C ATOM 2194 O ILE B 41 2.244 -3.309 2.916 1.00 45.21 O ATOM 2195 CB ILE B 41 -0.434 -1.418 2.463 1.00 40.22 C ATOM 2196 CG1 ILE B 41 -1.587 -0.626 3.141 1.00 42.42 C ATOM 2197 CG2 ILE B 41 -0.820 -1.794 1.005 1.00 71.14 C ATOM 2198 CD1 ILE B 41 -2.106 0.564 2.362 1.00 61.13 C ATOM 0 H ILE B 41 1.393 -1.927 4.695 1.00 21.34 H new ATOM 0 HA ILE B 41 -0.935 -3.294 3.466 1.00 41.14 H new ATOM 0 HB ILE B 41 0.453 -0.787 2.402 1.00 40.22 H new ATOM 0 HG12 ILE B 41 -2.417 -1.310 3.322 1.00 42.42 H new ATOM 0 HG13 ILE B 41 -1.242 -0.278 4.115 1.00 42.42 H new ATOM 0 HG21 ILE B 41 -1.079 -0.891 0.453 1.00 71.14 H new ATOM 0 HG22 ILE B 41 0.023 -2.286 0.521 1.00 71.14 H new ATOM 0 HG23 ILE B 41 -1.675 -2.469 1.018 1.00 71.14 H new ATOM 0 HD11 ILE B 41 -2.907 1.045 2.923 1.00 61.13 H new ATOM 0 HD12 ILE B 41 -1.296 1.276 2.203 1.00 61.13 H new ATOM 0 HD13 ILE B 41 -2.489 0.229 1.398 1.00 61.13 H new ATOM 2210 N LEU B 42 0.654 -4.400 1.734 1.00 33.55 N ATOM 2211 CA LEU B 42 1.568 -5.097 0.829 1.00 75.45 C ATOM 2212 C LEU B 42 0.844 -5.380 -0.492 1.00 14.31 C ATOM 2213 O LEU B 42 0.159 -6.383 -0.641 1.00 62.43 O ATOM 2214 CB LEU B 42 2.153 -6.387 1.475 1.00 12.31 C ATOM 2215 CG LEU B 42 3.118 -7.252 0.583 1.00 22.33 C ATOM 2216 CD1 LEU B 42 4.188 -6.400 -0.138 1.00 0.43 C ATOM 2217 CD2 LEU B 42 3.781 -8.356 1.432 1.00 54.33 C ATOM 0 H LEU B 42 -0.323 -4.669 1.615 1.00 33.55 H new ATOM 0 HA LEU B 42 2.427 -4.458 0.625 1.00 75.45 H new ATOM 0 HB2 LEU B 42 2.691 -6.100 2.379 1.00 12.31 H new ATOM 0 HB3 LEU B 42 1.321 -7.018 1.786 1.00 12.31 H new ATOM 0 HG LEU B 42 2.510 -7.713 -0.196 1.00 22.33 H new ATOM 0 HD11 LEU B 42 4.826 -7.049 -0.739 1.00 0.43 H new ATOM 0 HD12 LEU B 42 3.698 -5.672 -0.785 1.00 0.43 H new ATOM 0 HD13 LEU B 42 4.796 -5.877 0.601 1.00 0.43 H new ATOM 0 HD21 LEU B 42 4.446 -8.948 0.804 1.00 54.33 H new ATOM 0 HD22 LEU B 42 4.354 -7.900 2.239 1.00 54.33 H new ATOM 0 HD23 LEU B 42 3.011 -9.002 1.854 1.00 54.33 H new ATOM 2229 N CYS B 43 0.982 -4.440 -1.429 1.00 0.35 N ATOM 2230 CA CYS B 43 0.487 -4.571 -2.800 1.00 33.34 C ATOM 2231 C CYS B 43 1.574 -5.277 -3.625 1.00 73.11 C ATOM 2232 O CYS B 43 2.567 -4.676 -4.014 1.00 73.45 O ATOM 2233 CB CYS B 43 0.165 -3.157 -3.345 1.00 34.14 C ATOM 2234 SG CYS B 43 -0.348 -3.059 -5.072 1.00 25.11 S ATOM 0 H CYS B 43 1.449 -3.551 -1.253 1.00 0.35 H new ATOM 0 HA CYS B 43 -0.427 -5.163 -2.852 1.00 33.34 H new ATOM 0 HB2 CYS B 43 -0.624 -2.725 -2.729 1.00 34.14 H new ATOM 0 HB3 CYS B 43 1.048 -2.532 -3.215 1.00 34.14 H new ATOM 0 HG CYS B 43 -0.446 -4.258 -5.564 1.00 25.11 H new ATOM 2240 N LEU B 44 1.422 -6.594 -3.780 1.00 62.35 N ATOM 2241 CA LEU B 44 2.409 -7.458 -4.454 1.00 23.43 C ATOM 2242 C LEU B 44 2.025 -7.593 -5.939 1.00 15.33 C ATOM 2243 O LEU B 44 1.042 -8.281 -6.248 1.00 54.33 O ATOM 2244 CB LEU B 44 2.419 -8.835 -3.756 1.00 10.34 C ATOM 2245 CG LEU B 44 3.611 -9.795 -4.053 1.00 61.23 C ATOM 2246 CD1 LEU B 44 4.938 -9.238 -3.498 1.00 74.02 C ATOM 2247 CD2 LEU B 44 3.332 -11.199 -3.479 1.00 54.35 C ATOM 0 H LEU B 44 0.605 -7.101 -3.440 1.00 62.35 H new ATOM 0 HA LEU B 44 3.408 -7.027 -4.393 1.00 23.43 H new ATOM 0 HB2 LEU B 44 2.387 -8.665 -2.680 1.00 10.34 H new ATOM 0 HB3 LEU B 44 1.498 -9.353 -4.024 1.00 10.34 H new ATOM 0 HG LEU B 44 3.711 -9.873 -5.136 1.00 61.23 H new ATOM 0 HD11 LEU B 44 5.747 -9.933 -3.723 1.00 74.02 H new ATOM 0 HD12 LEU B 44 5.149 -8.273 -3.960 1.00 74.02 H new ATOM 0 HD13 LEU B 44 4.857 -9.113 -2.418 1.00 74.02 H new ATOM 0 HD21 LEU B 44 4.175 -11.855 -3.696 1.00 54.35 H new ATOM 0 HD22 LEU B 44 3.194 -11.130 -2.400 1.00 54.35 H new ATOM 0 HD23 LEU B 44 2.429 -11.606 -3.935 1.00 54.35 H new ATOM 2259 N PRO B 45 2.769 -6.930 -6.882 1.00 33.44 N ATOM 2260 CA PRO B 45 2.405 -6.915 -8.315 1.00 23.12 C ATOM 2261 C PRO B 45 2.502 -8.323 -8.943 1.00 73.43 C ATOM 2262 O PRO B 45 3.576 -8.946 -8.944 1.00 72.14 O ATOM 2263 CB PRO B 45 3.416 -5.919 -8.941 1.00 52.50 C ATOM 2264 CG PRO B 45 4.592 -5.910 -8.008 1.00 62.34 C ATOM 2265 CD PRO B 45 4.026 -6.165 -6.627 1.00 31.35 C ATOM 0 HA PRO B 45 1.371 -6.614 -8.486 1.00 23.12 H new ATOM 0 HB2 PRO B 45 3.710 -6.234 -9.942 1.00 52.50 H new ATOM 0 HB3 PRO B 45 2.981 -4.924 -9.035 1.00 52.50 H new ATOM 0 HG2 PRO B 45 5.314 -6.679 -8.282 1.00 62.34 H new ATOM 0 HG3 PRO B 45 5.114 -4.954 -8.046 1.00 62.34 H new ATOM 0 HD2 PRO B 45 4.721 -6.735 -6.011 1.00 31.35 H new ATOM 0 HD3 PRO B 45 3.825 -5.232 -6.101 1.00 31.35 H new ATOM 2273 N ILE B 46 1.350 -8.830 -9.405 1.00 54.21 N ATOM 2274 CA ILE B 46 1.249 -10.141 -10.045 1.00 30.11 C ATOM 2275 C ILE B 46 1.917 -10.091 -11.433 1.00 74.43 C ATOM 2276 O ILE B 46 1.427 -9.407 -12.332 1.00 40.10 O ATOM 2277 CB ILE B 46 -0.259 -10.595 -10.164 1.00 25.52 C ATOM 2278 CG1 ILE B 46 -0.933 -10.677 -8.754 1.00 23.03 C ATOM 2279 CG2 ILE B 46 -0.410 -11.933 -10.925 1.00 61.51 C ATOM 2280 CD1 ILE B 46 -0.266 -11.628 -7.773 1.00 2.42 C ATOM 0 H ILE B 46 0.460 -8.336 -9.343 1.00 54.21 H new ATOM 0 HA ILE B 46 1.767 -10.876 -9.429 1.00 30.11 H new ATOM 0 HB ILE B 46 -0.774 -9.834 -10.749 1.00 25.52 H new ATOM 0 HG12 ILE B 46 -0.946 -9.679 -8.316 1.00 23.03 H new ATOM 0 HG13 ILE B 46 -1.972 -10.982 -8.882 1.00 23.03 H new ATOM 0 HG21 ILE B 46 -1.465 -12.203 -10.981 1.00 61.51 H new ATOM 0 HG22 ILE B 46 -0.009 -11.826 -11.933 1.00 61.51 H new ATOM 0 HG23 ILE B 46 0.137 -12.715 -10.398 1.00 61.51 H new ATOM 0 HD11 ILE B 46 -0.807 -11.613 -6.827 1.00 2.42 H new ATOM 0 HD12 ILE B 46 -0.277 -12.639 -8.181 1.00 2.42 H new ATOM 0 HD13 ILE B 46 0.765 -11.315 -7.606 1.00 2.42 H new ATOM 2292 N GLN B 47 3.051 -10.805 -11.556 1.00 32.23 N ATOM 2293 CA GLN B 47 3.825 -10.940 -12.809 1.00 41.25 C ATOM 2294 C GLN B 47 2.959 -11.467 -13.976 1.00 51.23 C ATOM 2295 O GLN B 47 3.089 -11.011 -15.120 1.00 74.21 O ATOM 2296 CB GLN B 47 5.041 -11.892 -12.554 1.00 12.30 C ATOM 2297 CG GLN B 47 5.697 -12.470 -13.831 1.00 43.13 C ATOM 2298 CD GLN B 47 6.371 -11.415 -14.724 1.00 33.42 C ATOM 2299 OE1 GLN B 47 6.906 -10.417 -14.235 1.00 72.31 O ATOM 2300 NE2 GLN B 47 6.320 -11.615 -16.041 1.00 3.22 N ATOM 0 H GLN B 47 3.464 -11.314 -10.775 1.00 32.23 H new ATOM 0 HA GLN B 47 4.178 -9.952 -13.103 1.00 41.25 H new ATOM 0 HB2 GLN B 47 5.798 -11.347 -11.989 1.00 12.30 H new ATOM 0 HB3 GLN B 47 4.710 -12.720 -11.927 1.00 12.30 H new ATOM 0 HG2 GLN B 47 6.440 -13.213 -13.540 1.00 43.13 H new ATOM 0 HG3 GLN B 47 4.937 -12.991 -14.413 1.00 43.13 H new ATOM 0 HE21 GLN B 47 5.870 -12.451 -16.413 1.00 3.22 H new ATOM 0 HE22 GLN B 47 6.731 -10.932 -16.677 1.00 3.22 H new ATOM 2309 N ASP B 48 2.095 -12.432 -13.645 1.00 30.41 N ATOM 2310 CA ASP B 48 1.247 -13.169 -14.598 1.00 34.23 C ATOM 2311 C ASP B 48 0.441 -12.251 -15.560 1.00 23.21 C ATOM 2312 O ASP B 48 0.332 -12.562 -16.752 1.00 53.13 O ATOM 2313 CB ASP B 48 0.313 -14.109 -13.783 1.00 72.44 C ATOM 2314 CG ASP B 48 -0.931 -14.597 -14.549 1.00 24.10 C ATOM 2315 OD1 ASP B 48 -0.811 -15.524 -15.372 1.00 12.21 O ATOM 2316 OD2 ASP B 48 -2.034 -14.042 -14.338 1.00 21.31 O ATOM 0 H ASP B 48 1.960 -12.733 -12.680 1.00 30.41 H new ATOM 0 HA ASP B 48 1.894 -13.749 -15.256 1.00 34.23 H new ATOM 0 HB2 ASP B 48 0.887 -14.977 -13.457 1.00 72.44 H new ATOM 0 HB3 ASP B 48 -0.012 -13.586 -12.884 1.00 72.44 H new ATOM 2321 N SER B 49 -0.094 -11.132 -15.040 1.00 72.42 N ATOM 2322 CA SER B 49 -1.011 -10.229 -15.799 1.00 2.54 C ATOM 2323 C SER B 49 -1.077 -8.826 -15.148 1.00 23.03 C ATOM 2324 O SER B 49 -0.318 -8.530 -14.228 1.00 32.54 O ATOM 2325 CB SER B 49 -2.440 -10.842 -15.863 1.00 41.34 C ATOM 2326 OG SER B 49 -2.484 -12.052 -16.610 1.00 74.21 O ATOM 0 H SER B 49 0.089 -10.819 -14.087 1.00 72.42 H new ATOM 0 HA SER B 49 -0.616 -10.124 -16.809 1.00 2.54 H new ATOM 0 HB2 SER B 49 -2.796 -11.032 -14.850 1.00 41.34 H new ATOM 0 HB3 SER B 49 -3.122 -10.119 -16.310 1.00 41.34 H new ATOM 0 HG SER B 49 -2.334 -12.812 -16.010 1.00 74.21 H new ATOM 2332 N ASP B 50 -2.001 -7.960 -15.652 1.00 52.51 N ATOM 2333 CA ASP B 50 -2.321 -6.657 -15.019 1.00 14.24 C ATOM 2334 C ASP B 50 -3.157 -6.889 -13.752 1.00 60.24 C ATOM 2335 O ASP B 50 -4.380 -6.731 -13.761 1.00 50.03 O ATOM 2336 CB ASP B 50 -3.085 -5.720 -16.010 1.00 62.52 C ATOM 2337 CG ASP B 50 -2.159 -5.029 -17.013 1.00 4.12 C ATOM 2338 OD1 ASP B 50 -1.812 -5.636 -18.049 1.00 42.04 O ATOM 2339 OD2 ASP B 50 -1.765 -3.869 -16.770 1.00 62.15 O ATOM 0 H ASP B 50 -2.537 -8.147 -16.499 1.00 52.51 H new ATOM 0 HA ASP B 50 -1.386 -6.165 -14.750 1.00 14.24 H new ATOM 0 HB2 ASP B 50 -3.829 -6.303 -16.553 1.00 62.52 H new ATOM 0 HB3 ASP B 50 -3.626 -4.963 -15.442 1.00 62.52 H new ATOM 2344 N LYS B 51 -2.473 -7.298 -12.682 1.00 52.15 N ATOM 2345 CA LYS B 51 -3.066 -7.582 -11.370 1.00 71.23 C ATOM 2346 C LYS B 51 -2.038 -7.272 -10.270 1.00 72.24 C ATOM 2347 O LYS B 51 -0.847 -7.073 -10.539 1.00 3.40 O ATOM 2348 CB LYS B 51 -3.538 -9.074 -11.250 1.00 52.11 C ATOM 2349 CG LYS B 51 -4.784 -9.454 -12.091 1.00 51.02 C ATOM 2350 CD LYS B 51 -5.108 -10.969 -12.047 1.00 72.24 C ATOM 2351 CE LYS B 51 -3.939 -11.836 -12.558 1.00 34.02 C ATOM 2352 NZ LYS B 51 -4.307 -13.271 -12.686 1.00 51.41 N ATOM 0 H LYS B 51 -1.464 -7.445 -12.703 1.00 52.15 H new ATOM 0 HA LYS B 51 -3.946 -6.949 -11.254 1.00 71.23 H new ATOM 0 HB2 LYS B 51 -2.712 -9.722 -11.544 1.00 52.11 H new ATOM 0 HB3 LYS B 51 -3.751 -9.285 -10.202 1.00 52.11 H new ATOM 0 HG2 LYS B 51 -5.645 -8.894 -11.727 1.00 51.02 H new ATOM 0 HG3 LYS B 51 -4.622 -9.153 -13.126 1.00 51.02 H new ATOM 0 HD2 LYS B 51 -5.350 -11.256 -11.024 1.00 72.24 H new ATOM 0 HD3 LYS B 51 -5.994 -11.166 -12.651 1.00 72.24 H new ATOM 0 HE2 LYS B 51 -3.610 -11.461 -13.527 1.00 34.02 H new ATOM 0 HE3 LYS B 51 -3.095 -11.740 -11.875 1.00 34.02 H new ATOM 0 HZ1 LYS B 51 -3.593 -13.763 -13.261 1.00 51.41 H new ATOM 0 HZ2 LYS B 51 -4.349 -13.704 -11.741 1.00 51.41 H new ATOM 0 HZ3 LYS B 51 -5.237 -13.351 -13.145 1.00 51.41 H new ATOM 2366 N SER B 52 -2.532 -7.265 -9.037 1.00 12.31 N ATOM 2367 CA SER B 52 -1.745 -7.089 -7.827 1.00 53.14 C ATOM 2368 C SER B 52 -2.541 -7.693 -6.662 1.00 44.44 C ATOM 2369 O SER B 52 -3.776 -7.742 -6.705 1.00 73.41 O ATOM 2370 CB SER B 52 -1.430 -5.597 -7.571 1.00 63.32 C ATOM 2371 OG SER B 52 -0.537 -5.452 -6.479 1.00 42.35 O ATOM 0 H SER B 52 -3.527 -7.386 -8.848 1.00 12.31 H new ATOM 0 HA SER B 52 -0.785 -7.594 -7.931 1.00 53.14 H new ATOM 0 HB2 SER B 52 -0.993 -5.154 -8.466 1.00 63.32 H new ATOM 0 HB3 SER B 52 -2.353 -5.055 -7.366 1.00 63.32 H new ATOM 0 HG SER B 52 0.350 -5.201 -6.813 1.00 42.35 H new ATOM 2377 N HIS B 53 -1.839 -8.147 -5.628 1.00 23.41 N ATOM 2378 CA HIS B 53 -2.442 -8.849 -4.486 1.00 25.14 C ATOM 2379 C HIS B 53 -2.105 -8.051 -3.219 1.00 62.50 C ATOM 2380 O HIS B 53 -0.978 -8.099 -2.749 1.00 34.53 O ATOM 2381 CB HIS B 53 -1.879 -10.301 -4.441 1.00 65.50 C ATOM 2382 CG HIS B 53 -2.669 -11.290 -3.622 1.00 14.52 C ATOM 2383 ND1 HIS B 53 -2.251 -12.590 -3.417 1.00 62.45 N ATOM 2384 CD2 HIS B 53 -3.879 -11.197 -3.020 1.00 43.51 C ATOM 2385 CE1 HIS B 53 -3.166 -13.244 -2.735 1.00 3.24 C ATOM 2386 NE2 HIS B 53 -4.161 -12.422 -2.483 1.00 23.12 N ATOM 0 H HIS B 53 -0.827 -8.040 -5.553 1.00 23.41 H new ATOM 0 HA HIS B 53 -3.526 -8.921 -4.571 1.00 25.14 H new ATOM 0 HB2 HIS B 53 -1.813 -10.676 -5.462 1.00 65.50 H new ATOM 0 HB3 HIS B 53 -0.863 -10.264 -4.049 1.00 65.50 H new ATOM 0 HD1 HIS B 53 -1.368 -12.983 -3.744 1.00 62.45 H new ATOM 0 HD2 HIS B 53 -4.505 -10.318 -2.973 1.00 43.51 H new ATOM 0 HE1 HIS B 53 -3.110 -14.280 -2.433 1.00 3.24 H new ATOM 2395 N ILE B 54 -3.081 -7.282 -2.707 1.00 10.03 N ATOM 2396 CA ILE B 54 -2.848 -6.296 -1.637 1.00 32.41 C ATOM 2397 C ILE B 54 -3.334 -6.858 -0.293 1.00 50.44 C ATOM 2398 O ILE B 54 -4.522 -7.119 -0.133 1.00 2.43 O ATOM 2399 CB ILE B 54 -3.559 -4.898 -1.899 1.00 75.03 C ATOM 2400 CG1 ILE B 54 -3.255 -4.306 -3.318 1.00 21.14 C ATOM 2401 CG2 ILE B 54 -3.147 -3.871 -0.817 1.00 33.52 C ATOM 2402 CD1 ILE B 54 -3.936 -4.998 -4.474 1.00 72.51 C ATOM 0 H ILE B 54 -4.050 -7.326 -3.022 1.00 10.03 H new ATOM 0 HA ILE B 54 -1.773 -6.114 -1.619 1.00 32.41 H new ATOM 0 HB ILE B 54 -4.631 -5.090 -1.850 1.00 75.03 H new ATOM 0 HG12 ILE B 54 -3.547 -3.256 -3.324 1.00 21.14 H new ATOM 0 HG13 ILE B 54 -2.178 -4.338 -3.482 1.00 21.14 H new ATOM 0 HG21 ILE B 54 -3.642 -2.920 -1.011 1.00 33.52 H new ATOM 0 HG22 ILE B 54 -3.441 -4.240 0.166 1.00 33.52 H new ATOM 0 HG23 ILE B 54 -2.067 -3.729 -0.842 1.00 33.52 H new ATOM 0 HD11 ILE B 54 -3.657 -4.508 -5.407 1.00 72.51 H new ATOM 0 HD12 ILE B 54 -3.627 -6.043 -4.506 1.00 72.51 H new ATOM 0 HD13 ILE B 54 -5.017 -4.943 -4.345 1.00 72.51 H new ATOM 2414 N TRP B 55 -2.401 -7.052 0.651 1.00 74.23 N ATOM 2415 CA TRP B 55 -2.704 -7.452 2.034 1.00 54.01 C ATOM 2416 C TRP B 55 -2.833 -6.194 2.915 1.00 64.35 C ATOM 2417 O TRP B 55 -1.858 -5.455 3.089 1.00 11.42 O ATOM 2418 CB TRP B 55 -1.586 -8.388 2.562 1.00 44.42 C ATOM 2419 CG TRP B 55 -1.554 -9.744 1.875 1.00 4.42 C ATOM 2420 CD1 TRP B 55 -2.259 -10.860 2.215 1.00 72.21 C ATOM 2421 CD2 TRP B 55 -0.780 -10.118 0.741 1.00 75.02 C ATOM 2422 NE1 TRP B 55 -1.989 -11.886 1.346 1.00 52.25 N ATOM 2423 CE2 TRP B 55 -1.070 -11.460 0.440 1.00 24.42 C ATOM 2424 CE3 TRP B 55 0.127 -9.447 -0.039 1.00 62.24 C ATOM 2425 CZ2 TRP B 55 -0.485 -12.127 -0.629 1.00 12.34 C ATOM 2426 CZ3 TRP B 55 0.708 -10.106 -1.085 1.00 54.20 C ATOM 2427 CH2 TRP B 55 0.407 -11.436 -1.378 1.00 51.22 C ATOM 0 H TRP B 55 -1.403 -6.934 0.474 1.00 74.23 H new ATOM 0 HA TRP B 55 -3.649 -7.995 2.065 1.00 54.01 H new ATOM 0 HB2 TRP B 55 -0.621 -7.899 2.428 1.00 44.42 H new ATOM 0 HB3 TRP B 55 -1.723 -8.536 3.633 1.00 44.42 H new ATOM 0 HD1 TRP B 55 -2.937 -10.927 3.053 1.00 72.21 H new ATOM 0 HE1 TRP B 55 -2.409 -12.815 1.375 1.00 52.25 H new ATOM 0 HE3 TRP B 55 0.377 -8.417 0.170 1.00 62.24 H new ATOM 0 HZ2 TRP B 55 -0.731 -13.154 -0.854 1.00 12.34 H new ATOM 0 HZ3 TRP B 55 1.422 -9.582 -1.703 1.00 54.20 H new ATOM 0 HH2 TRP B 55 0.891 -11.921 -2.213 1.00 51.22 H new ATOM 2438 N LEU B 56 -4.048 -5.947 3.437 1.00 54.42 N ATOM 2439 CA LEU B 56 -4.353 -4.792 4.300 1.00 1.41 C ATOM 2440 C LEU B 56 -4.349 -5.227 5.773 1.00 52.00 C ATOM 2441 O LEU B 56 -5.218 -5.986 6.199 1.00 1.14 O ATOM 2442 CB LEU B 56 -5.738 -4.160 3.946 1.00 40.20 C ATOM 2443 CG LEU B 56 -5.878 -3.449 2.551 1.00 43.14 C ATOM 2444 CD1 LEU B 56 -4.777 -2.396 2.330 1.00 62.32 C ATOM 2445 CD2 LEU B 56 -5.963 -4.458 1.387 1.00 32.01 C ATOM 0 H LEU B 56 -4.854 -6.550 3.270 1.00 54.42 H new ATOM 0 HA LEU B 56 -3.583 -4.038 4.133 1.00 1.41 H new ATOM 0 HB2 LEU B 56 -6.490 -4.947 3.999 1.00 40.20 H new ATOM 0 HB3 LEU B 56 -5.983 -3.433 4.720 1.00 40.20 H new ATOM 0 HG LEU B 56 -6.827 -2.914 2.564 1.00 43.14 H new ATOM 0 HD11 LEU B 56 -4.911 -1.929 1.354 1.00 62.32 H new ATOM 0 HD12 LEU B 56 -4.840 -1.635 3.108 1.00 62.32 H new ATOM 0 HD13 LEU B 56 -3.800 -2.877 2.371 1.00 62.32 H new ATOM 0 HD21 LEU B 56 -6.059 -3.919 0.444 1.00 32.01 H new ATOM 0 HD22 LEU B 56 -5.059 -5.067 1.367 1.00 32.01 H new ATOM 0 HD23 LEU B 56 -6.831 -5.102 1.526 1.00 32.01 H new ATOM 2457 N LEU B 57 -3.376 -4.718 6.527 1.00 21.02 N ATOM 2458 CA LEU B 57 -3.240 -4.937 7.975 1.00 20.41 C ATOM 2459 C LEU B 57 -4.063 -3.880 8.696 1.00 45.02 C ATOM 2460 O LEU B 57 -3.718 -2.701 8.671 1.00 33.02 O ATOM 2461 CB LEU B 57 -1.759 -4.825 8.431 1.00 2.30 C ATOM 2462 CG LEU B 57 -0.807 -6.009 8.101 1.00 4.54 C ATOM 2463 CD1 LEU B 57 -0.785 -6.364 6.596 1.00 1.42 C ATOM 2464 CD2 LEU B 57 0.608 -5.717 8.638 1.00 1.20 C ATOM 0 H LEU B 57 -2.639 -4.126 6.143 1.00 21.02 H new ATOM 0 HA LEU B 57 -3.591 -5.941 8.213 1.00 20.41 H new ATOM 0 HB2 LEU B 57 -1.339 -3.923 7.986 1.00 2.30 H new ATOM 0 HB3 LEU B 57 -1.751 -4.680 9.511 1.00 2.30 H new ATOM 0 HG LEU B 57 -1.199 -6.892 8.606 1.00 4.54 H new ATOM 0 HD11 LEU B 57 -0.103 -7.197 6.429 1.00 1.42 H new ATOM 0 HD12 LEU B 57 -1.788 -6.646 6.274 1.00 1.42 H new ATOM 0 HD13 LEU B 57 -0.449 -5.500 6.023 1.00 1.42 H new ATOM 0 HD21 LEU B 57 1.267 -6.553 8.401 1.00 1.20 H new ATOM 0 HD22 LEU B 57 0.993 -4.809 8.174 1.00 1.20 H new ATOM 0 HD23 LEU B 57 0.566 -5.583 9.719 1.00 1.20 H new ATOM 2476 N VAL B 58 -5.161 -4.312 9.289 1.00 15.25 N ATOM 2477 CA VAL B 58 -6.069 -3.449 10.045 1.00 52.43 C ATOM 2478 C VAL B 58 -6.749 -4.306 11.108 1.00 32.22 C ATOM 2479 O VAL B 58 -6.996 -5.482 10.862 1.00 60.41 O ATOM 2480 CB VAL B 58 -7.128 -2.806 9.073 1.00 62.23 C ATOM 2481 CG1 VAL B 58 -8.014 -3.879 8.402 1.00 40.12 C ATOM 2482 CG2 VAL B 58 -7.968 -1.710 9.773 1.00 33.41 C ATOM 0 H VAL B 58 -5.457 -5.288 9.262 1.00 15.25 H new ATOM 0 HA VAL B 58 -5.524 -2.635 10.524 1.00 52.43 H new ATOM 0 HB VAL B 58 -6.572 -2.311 8.277 1.00 62.23 H new ATOM 0 HG11 VAL B 58 -8.732 -3.396 7.739 1.00 40.12 H new ATOM 0 HG12 VAL B 58 -7.388 -4.559 7.825 1.00 40.12 H new ATOM 0 HG13 VAL B 58 -8.549 -4.440 9.168 1.00 40.12 H new ATOM 0 HG21 VAL B 58 -8.685 -1.294 9.066 1.00 33.41 H new ATOM 0 HG22 VAL B 58 -8.502 -2.145 10.618 1.00 33.41 H new ATOM 0 HG23 VAL B 58 -7.309 -0.918 10.129 1.00 33.41 H new ATOM 2492 N ASN B 59 -7.024 -3.765 12.298 1.00 14.53 N ATOM 2493 CA ASN B 59 -7.757 -4.535 13.317 1.00 11.13 C ATOM 2494 C ASN B 59 -9.235 -4.673 12.899 1.00 23.42 C ATOM 2495 O ASN B 59 -9.946 -3.670 12.771 1.00 40.21 O ATOM 2496 CB ASN B 59 -7.590 -3.948 14.743 1.00 22.03 C ATOM 2497 CG ASN B 59 -8.069 -2.508 14.923 1.00 64.22 C ATOM 2498 OD1 ASN B 59 -7.931 -1.677 14.036 1.00 11.31 O ATOM 2499 ND2 ASN B 59 -8.656 -2.205 16.065 1.00 10.03 N ATOM 0 H ASN B 59 -6.760 -2.821 12.579 1.00 14.53 H new ATOM 0 HA ASN B 59 -7.323 -5.533 13.371 1.00 11.13 H new ATOM 0 HB2 ASN B 59 -8.132 -4.583 15.444 1.00 22.03 H new ATOM 0 HB3 ASN B 59 -6.536 -3.999 15.017 1.00 22.03 H new ATOM 0 HD21 ASN B 59 -9.007 -1.260 16.223 1.00 10.03 H new ATOM 0 HD22 ASN B 59 -8.759 -2.915 16.790 1.00 10.03 H new ATOM 2506 N ASP B 60 -9.625 -5.933 12.575 1.00 54.43 N ATOM 2507 CA ASP B 60 -10.997 -6.317 12.189 1.00 0.11 C ATOM 2508 C ASP B 60 -12.050 -5.709 13.123 1.00 51.53 C ATOM 2509 O ASP B 60 -11.918 -5.771 14.348 1.00 24.13 O ATOM 2510 CB ASP B 60 -11.148 -7.853 12.140 1.00 35.25 C ATOM 2511 CG ASP B 60 -12.533 -8.299 11.640 1.00 24.01 C ATOM 2512 OD1 ASP B 60 -12.856 -8.023 10.466 1.00 63.25 O ATOM 2513 OD2 ASP B 60 -13.302 -8.912 12.414 1.00 34.11 O ATOM 0 H ASP B 60 -8.978 -6.721 12.577 1.00 54.43 H new ATOM 0 HA ASP B 60 -11.169 -5.915 11.191 1.00 0.11 H new ATOM 0 HB2 ASP B 60 -10.380 -8.269 11.488 1.00 35.25 H new ATOM 0 HB3 ASP B 60 -10.977 -8.263 13.135 1.00 35.25 H new ATOM 2518 N ASP B 61 -13.077 -5.116 12.516 1.00 34.43 N ATOM 2519 CA ASP B 61 -14.053 -4.278 13.199 1.00 4.23 C ATOM 2520 C ASP B 61 -15.436 -4.513 12.581 1.00 63.11 C ATOM 2521 O ASP B 61 -15.529 -4.879 11.406 1.00 22.02 O ATOM 2522 CB ASP B 61 -13.587 -2.818 13.053 1.00 31.35 C ATOM 2523 CG ASP B 61 -14.538 -1.782 13.640 1.00 32.32 C ATOM 2524 OD1 ASP B 61 -14.514 -1.566 14.867 1.00 12.35 O ATOM 2525 OD2 ASP B 61 -15.287 -1.155 12.868 1.00 24.04 O ATOM 0 H ASP B 61 -13.255 -5.208 11.516 1.00 34.43 H new ATOM 0 HA ASP B 61 -14.130 -4.519 14.259 1.00 4.23 H new ATOM 0 HB2 ASP B 61 -12.615 -2.712 13.534 1.00 31.35 H new ATOM 0 HB3 ASP B 61 -13.444 -2.601 11.994 1.00 31.35 H new ATOM 2530 N GLN B 62 -16.494 -4.297 13.378 1.00 34.41 N ATOM 2531 CA GLN B 62 -17.892 -4.562 12.969 1.00 44.32 C ATOM 2532 C GLN B 62 -18.300 -3.704 11.749 1.00 23.14 C ATOM 2533 O GLN B 62 -19.041 -4.160 10.873 1.00 13.30 O ATOM 2534 CB GLN B 62 -18.853 -4.296 14.161 1.00 73.14 C ATOM 2535 CG GLN B 62 -18.529 -5.100 15.441 1.00 55.43 C ATOM 2536 CD GLN B 62 -18.651 -6.622 15.274 1.00 41.12 C ATOM 2537 OE1 GLN B 62 -19.468 -7.123 14.503 1.00 51.30 O ATOM 2538 NE2 GLN B 62 -17.843 -7.371 16.005 1.00 14.33 N ATOM 0 H GLN B 62 -16.409 -3.933 14.327 1.00 34.41 H new ATOM 0 HA GLN B 62 -17.964 -5.609 12.675 1.00 44.32 H new ATOM 0 HB2 GLN B 62 -18.829 -3.233 14.400 1.00 73.14 H new ATOM 0 HB3 GLN B 62 -19.871 -4.530 13.849 1.00 73.14 H new ATOM 0 HG2 GLN B 62 -17.515 -4.861 15.760 1.00 55.43 H new ATOM 0 HG3 GLN B 62 -19.199 -4.778 16.239 1.00 55.43 H new ATOM 0 HE21 GLN B 62 -17.174 -6.932 16.637 1.00 14.33 H new ATOM 0 HE22 GLN B 62 -17.889 -8.388 15.937 1.00 14.33 H new ATOM 2547 N ARG B 63 -17.796 -2.461 11.718 1.00 33.43 N ATOM 2548 CA ARG B 63 -18.058 -1.507 10.621 1.00 63.11 C ATOM 2549 C ARG B 63 -17.118 -1.796 9.440 1.00 5.45 C ATOM 2550 O ARG B 63 -17.482 -1.589 8.276 1.00 45.12 O ATOM 2551 CB ARG B 63 -17.863 -0.052 11.115 1.00 30.41 C ATOM 2552 CG ARG B 63 -18.314 1.035 10.115 1.00 3.21 C ATOM 2553 CD ARG B 63 -18.058 2.461 10.629 1.00 64.14 C ATOM 2554 NE ARG B 63 -18.654 3.474 9.741 1.00 74.22 N ATOM 2555 CZ ARG B 63 -18.597 4.799 9.941 1.00 51.15 C ATOM 2556 NH1 ARG B 63 -17.963 5.305 10.997 1.00 51.55 N ATOM 2557 NH2 ARG B 63 -19.192 5.614 9.084 1.00 54.24 N ATOM 0 H ARG B 63 -17.195 -2.085 12.451 1.00 33.43 H new ATOM 0 HA ARG B 63 -19.090 -1.626 10.290 1.00 63.11 H new ATOM 0 HB2 ARG B 63 -18.415 0.078 12.046 1.00 30.41 H new ATOM 0 HB3 ARG B 63 -16.809 0.101 11.346 1.00 30.41 H new ATOM 0 HG2 ARG B 63 -17.788 0.894 9.171 1.00 3.21 H new ATOM 0 HG3 ARG B 63 -19.377 0.914 9.909 1.00 3.21 H new ATOM 0 HD2 ARG B 63 -18.472 2.567 11.632 1.00 64.14 H new ATOM 0 HD3 ARG B 63 -16.984 2.632 10.708 1.00 64.14 H new ATOM 0 HE ARG B 63 -19.147 3.143 8.912 1.00 74.22 H new ATOM 0 HH11 ARG B 63 -17.512 4.683 11.668 1.00 51.55 H new ATOM 0 HH12 ARG B 63 -17.928 6.315 11.135 1.00 51.55 H new ATOM 0 HH21 ARG B 63 -19.689 5.233 8.279 1.00 54.24 H new ATOM 0 HH22 ARG B 63 -19.153 6.623 9.229 1.00 54.24 H new ATOM 2571 N LEU B 64 -15.897 -2.271 9.770 1.00 53.22 N ATOM 2572 CA LEU B 64 -14.870 -2.636 8.776 1.00 64.22 C ATOM 2573 C LEU B 64 -15.376 -3.746 7.841 1.00 74.14 C ATOM 2574 O LEU B 64 -15.104 -3.709 6.652 1.00 43.34 O ATOM 2575 CB LEU B 64 -13.581 -3.124 9.468 1.00 35.14 C ATOM 2576 CG LEU B 64 -12.378 -3.475 8.525 1.00 64.05 C ATOM 2577 CD1 LEU B 64 -11.647 -2.218 8.032 1.00 42.31 C ATOM 2578 CD2 LEU B 64 -11.406 -4.448 9.197 1.00 14.45 C ATOM 0 H LEU B 64 -15.598 -2.411 10.735 1.00 53.22 H new ATOM 0 HA LEU B 64 -14.655 -1.740 8.194 1.00 64.22 H new ATOM 0 HB2 LEU B 64 -13.255 -2.354 10.167 1.00 35.14 H new ATOM 0 HB3 LEU B 64 -13.823 -4.008 10.058 1.00 35.14 H new ATOM 0 HG LEU B 64 -12.797 -3.970 7.649 1.00 64.05 H new ATOM 0 HD11 LEU B 64 -10.821 -2.508 7.382 1.00 42.31 H new ATOM 0 HD12 LEU B 64 -12.341 -1.588 7.477 1.00 42.31 H new ATOM 0 HD13 LEU B 64 -11.258 -1.664 8.887 1.00 42.31 H new ATOM 0 HD21 LEU B 64 -10.584 -4.670 8.516 1.00 14.45 H new ATOM 0 HD22 LEU B 64 -11.011 -3.997 10.107 1.00 14.45 H new ATOM 0 HD23 LEU B 64 -11.930 -5.371 9.447 1.00 14.45 H new ATOM 2590 N GLU B 65 -16.106 -4.728 8.411 1.00 12.05 N ATOM 2591 CA GLU B 65 -16.664 -5.874 7.655 1.00 3.44 C ATOM 2592 C GLU B 65 -17.671 -5.414 6.590 1.00 54.55 C ATOM 2593 O GLU B 65 -17.785 -6.031 5.522 1.00 53.24 O ATOM 2594 CB GLU B 65 -17.323 -6.881 8.623 1.00 64.13 C ATOM 2595 CG GLU B 65 -16.355 -7.465 9.664 1.00 44.14 C ATOM 2596 CD GLU B 65 -17.027 -8.483 10.586 1.00 13.34 C ATOM 2597 OE1 GLU B 65 -17.628 -8.077 11.600 1.00 22.32 O ATOM 2598 OE2 GLU B 65 -16.970 -9.698 10.295 1.00 11.31 O ATOM 0 H GLU B 65 -16.326 -4.751 9.407 1.00 12.05 H new ATOM 0 HA GLU B 65 -15.840 -6.365 7.137 1.00 3.44 H new ATOM 0 HB2 GLU B 65 -18.145 -6.388 9.142 1.00 64.13 H new ATOM 0 HB3 GLU B 65 -17.755 -7.697 8.044 1.00 64.13 H new ATOM 0 HG2 GLU B 65 -15.519 -7.941 9.151 1.00 44.14 H new ATOM 0 HG3 GLU B 65 -15.941 -6.655 10.264 1.00 44.14 H new ATOM 2605 N GLN B 66 -18.387 -4.319 6.893 1.00 10.14 N ATOM 2606 CA GLN B 66 -19.293 -3.666 5.936 1.00 1.12 C ATOM 2607 C GLN B 66 -18.478 -3.036 4.789 1.00 62.51 C ATOM 2608 O GLN B 66 -18.895 -3.069 3.626 1.00 41.23 O ATOM 2609 CB GLN B 66 -20.162 -2.596 6.653 1.00 72.04 C ATOM 2610 CG GLN B 66 -21.177 -1.875 5.737 1.00 71.40 C ATOM 2611 CD GLN B 66 -22.183 -2.822 5.063 1.00 13.01 C ATOM 2612 OE1 GLN B 66 -22.590 -3.838 5.629 1.00 75.12 O ATOM 2613 NE2 GLN B 66 -22.550 -2.518 3.833 1.00 11.42 N ATOM 0 H GLN B 66 -18.354 -3.863 7.805 1.00 10.14 H new ATOM 0 HA GLN B 66 -19.964 -4.415 5.514 1.00 1.12 H new ATOM 0 HB2 GLN B 66 -20.704 -3.074 7.469 1.00 72.04 H new ATOM 0 HB3 GLN B 66 -19.503 -1.852 7.101 1.00 72.04 H new ATOM 0 HG2 GLN B 66 -21.723 -1.138 6.325 1.00 71.40 H new ATOM 0 HG3 GLN B 66 -20.633 -1.329 4.966 1.00 71.40 H new ATOM 0 HE21 GLN B 66 -22.197 -1.670 3.390 1.00 11.42 H new ATOM 0 HE22 GLN B 66 -23.187 -3.131 3.325 1.00 11.42 H new ATOM 2622 N MET B 67 -17.296 -2.494 5.142 1.00 62.40 N ATOM 2623 CA MET B 67 -16.367 -1.881 4.175 1.00 44.31 C ATOM 2624 C MET B 67 -15.694 -2.965 3.300 1.00 10.24 C ATOM 2625 O MET B 67 -15.380 -2.707 2.142 1.00 40.32 O ATOM 2626 CB MET B 67 -15.294 -1.024 4.906 1.00 0.12 C ATOM 2627 CG MET B 67 -15.869 0.034 5.859 1.00 42.12 C ATOM 2628 SD MET B 67 -17.031 1.153 5.046 1.00 35.54 S ATOM 2629 CE MET B 67 -17.610 2.137 6.432 1.00 11.01 C ATOM 0 H MET B 67 -16.960 -2.469 6.105 1.00 62.40 H new ATOM 0 HA MET B 67 -16.942 -1.223 3.523 1.00 44.31 H new ATOM 0 HB2 MET B 67 -14.640 -1.688 5.471 1.00 0.12 H new ATOM 0 HB3 MET B 67 -14.675 -0.526 4.160 1.00 0.12 H new ATOM 0 HG2 MET B 67 -16.372 -0.465 6.687 1.00 42.12 H new ATOM 0 HG3 MET B 67 -15.051 0.615 6.286 1.00 42.12 H new ATOM 0 HE1 MET B 67 -17.806 3.156 6.098 1.00 11.01 H new ATOM 0 HE2 MET B 67 -18.528 1.703 6.828 1.00 11.01 H new ATOM 0 HE3 MET B 67 -16.849 2.151 7.212 1.00 11.01 H new ATOM 2639 N ILE B 68 -15.491 -4.177 3.881 1.00 61.13 N ATOM 2640 CA ILE B 68 -14.928 -5.355 3.169 1.00 43.34 C ATOM 2641 C ILE B 68 -15.945 -5.870 2.127 1.00 2.43 C ATOM 2642 O ILE B 68 -15.583 -6.205 0.990 1.00 10.04 O ATOM 2643 CB ILE B 68 -14.552 -6.531 4.167 1.00 54.11 C ATOM 2644 CG1 ILE B 68 -13.504 -6.062 5.230 1.00 43.22 C ATOM 2645 CG2 ILE B 68 -14.027 -7.785 3.406 1.00 21.21 C ATOM 2646 CD1 ILE B 68 -13.228 -7.074 6.339 1.00 42.10 C ATOM 0 H ILE B 68 -15.714 -4.365 4.859 1.00 61.13 H new ATOM 0 HA ILE B 68 -14.012 -5.032 2.674 1.00 43.34 H new ATOM 0 HB ILE B 68 -15.468 -6.811 4.688 1.00 54.11 H new ATOM 0 HG12 ILE B 68 -12.567 -5.835 4.722 1.00 43.22 H new ATOM 0 HG13 ILE B 68 -13.854 -5.134 5.682 1.00 43.22 H new ATOM 0 HG21 ILE B 68 -13.780 -8.568 4.122 1.00 21.21 H new ATOM 0 HG22 ILE B 68 -14.797 -8.146 2.725 1.00 21.21 H new ATOM 0 HG23 ILE B 68 -13.136 -7.519 2.838 1.00 21.21 H new ATOM 0 HD11 ILE B 68 -12.490 -6.665 7.029 1.00 42.10 H new ATOM 0 HD12 ILE B 68 -14.152 -7.284 6.878 1.00 42.10 H new ATOM 0 HD13 ILE B 68 -12.844 -7.996 5.903 1.00 42.10 H new ATOM 2658 N SER B 69 -17.220 -5.909 2.540 1.00 62.04 N ATOM 2659 CA SER B 69 -18.332 -6.342 1.681 1.00 70.13 C ATOM 2660 C SER B 69 -18.534 -5.338 0.531 1.00 41.11 C ATOM 2661 O SER B 69 -18.772 -5.731 -0.617 1.00 34.04 O ATOM 2662 CB SER B 69 -19.622 -6.471 2.522 1.00 3.44 C ATOM 2663 OG SER B 69 -20.688 -7.022 1.765 1.00 71.15 O ATOM 0 H SER B 69 -17.510 -5.641 3.480 1.00 62.04 H new ATOM 0 HA SER B 69 -18.096 -7.315 1.251 1.00 70.13 H new ATOM 0 HB2 SER B 69 -19.429 -7.101 3.391 1.00 3.44 H new ATOM 0 HB3 SER B 69 -19.911 -5.490 2.898 1.00 3.44 H new ATOM 0 HG SER B 69 -21.487 -7.091 2.328 1.00 71.15 H new ATOM 2669 N GLN B 70 -18.400 -4.037 0.863 1.00 22.54 N ATOM 2670 CA GLN B 70 -18.597 -2.933 -0.086 1.00 51.51 C ATOM 2671 C GLN B 70 -17.473 -2.949 -1.141 1.00 12.23 C ATOM 2672 O GLN B 70 -17.745 -2.879 -2.335 1.00 3.42 O ATOM 2673 CB GLN B 70 -18.637 -1.567 0.684 1.00 44.50 C ATOM 2674 CG GLN B 70 -19.342 -0.383 -0.043 1.00 25.20 C ATOM 2675 CD GLN B 70 -18.627 0.183 -1.287 1.00 40.53 C ATOM 2676 OE1 GLN B 70 -19.275 0.634 -2.234 1.00 70.42 O ATOM 2677 NE2 GLN B 70 -17.300 0.207 -1.283 1.00 74.42 N ATOM 0 H GLN B 70 -18.151 -3.727 1.802 1.00 22.54 H new ATOM 0 HA GLN B 70 -19.550 -3.057 -0.601 1.00 51.51 H new ATOM 0 HB2 GLN B 70 -19.137 -1.728 1.639 1.00 44.50 H new ATOM 0 HB3 GLN B 70 -17.612 -1.270 0.906 1.00 44.50 H new ATOM 0 HG2 GLN B 70 -20.338 -0.710 -0.341 1.00 25.20 H new ATOM 0 HG3 GLN B 70 -19.474 0.428 0.674 1.00 25.20 H new ATOM 0 HE21 GLN B 70 -16.785 -0.172 -0.488 1.00 74.42 H new ATOM 0 HE22 GLN B 70 -16.795 0.605 -2.075 1.00 74.42 H new ATOM 2686 N ILE B 71 -16.211 -3.063 -0.677 1.00 33.10 N ATOM 2687 CA ILE B 71 -15.020 -2.960 -1.551 1.00 12.34 C ATOM 2688 C ILE B 71 -14.918 -4.155 -2.524 1.00 72.53 C ATOM 2689 O ILE B 71 -14.440 -3.996 -3.656 1.00 74.33 O ATOM 2690 CB ILE B 71 -13.691 -2.825 -0.715 1.00 35.11 C ATOM 2691 CG1 ILE B 71 -12.499 -2.389 -1.615 1.00 45.25 C ATOM 2692 CG2 ILE B 71 -13.347 -4.123 0.058 1.00 42.34 C ATOM 2693 CD1 ILE B 71 -11.188 -2.269 -0.879 1.00 51.25 C ATOM 0 H ILE B 71 -15.988 -3.228 0.305 1.00 33.10 H new ATOM 0 HA ILE B 71 -15.146 -2.051 -2.140 1.00 12.34 H new ATOM 0 HB ILE B 71 -13.867 -2.044 0.025 1.00 35.11 H new ATOM 0 HG12 ILE B 71 -12.385 -3.110 -2.424 1.00 45.25 H new ATOM 0 HG13 ILE B 71 -12.736 -1.429 -2.074 1.00 45.25 H new ATOM 0 HG21 ILE B 71 -12.423 -3.979 0.618 1.00 42.34 H new ATOM 0 HG22 ILE B 71 -14.156 -4.361 0.748 1.00 42.34 H new ATOM 0 HG23 ILE B 71 -13.219 -4.944 -0.648 1.00 42.34 H new ATOM 0 HD11 ILE B 71 -10.407 -1.961 -1.574 1.00 51.25 H new ATOM 0 HD12 ILE B 71 -11.282 -1.526 -0.087 1.00 51.25 H new ATOM 0 HD13 ILE B 71 -10.926 -3.233 -0.443 1.00 51.25 H new ATOM 2705 N ASP B 72 -15.397 -5.330 -2.075 1.00 64.13 N ATOM 2706 CA ASP B 72 -15.338 -6.579 -2.854 1.00 30.13 C ATOM 2707 C ASP B 72 -16.107 -6.448 -4.187 1.00 31.52 C ATOM 2708 O ASP B 72 -15.648 -6.920 -5.231 1.00 11.43 O ATOM 2709 CB ASP B 72 -15.884 -7.763 -2.011 1.00 3.41 C ATOM 2710 CG ASP B 72 -15.972 -9.085 -2.805 1.00 3.31 C ATOM 2711 OD1 ASP B 72 -14.912 -9.635 -3.184 1.00 3.24 O ATOM 2712 OD2 ASP B 72 -17.093 -9.578 -3.060 1.00 54.24 O ATOM 0 H ASP B 72 -15.836 -5.439 -1.161 1.00 64.13 H new ATOM 0 HA ASP B 72 -14.295 -6.778 -3.099 1.00 30.13 H new ATOM 0 HB2 ASP B 72 -15.241 -7.910 -1.143 1.00 3.41 H new ATOM 0 HB3 ASP B 72 -16.874 -7.506 -1.634 1.00 3.41 H new ATOM 2717 N LYS B 73 -17.250 -5.746 -4.142 1.00 43.10 N ATOM 2718 CA LYS B 73 -18.141 -5.582 -5.315 1.00 2.15 C ATOM 2719 C LYS B 73 -17.762 -4.355 -6.181 1.00 71.22 C ATOM 2720 O LYS B 73 -18.550 -3.931 -7.029 1.00 34.44 O ATOM 2721 CB LYS B 73 -19.626 -5.554 -4.850 1.00 0.25 C ATOM 2722 CG LYS B 73 -19.966 -4.501 -3.772 1.00 14.15 C ATOM 2723 CD LYS B 73 -21.366 -4.704 -3.151 1.00 11.14 C ATOM 2724 CE LYS B 73 -21.504 -6.062 -2.437 1.00 73.14 C ATOM 2725 NZ LYS B 73 -22.800 -6.183 -1.724 1.00 21.54 N ATOM 0 H LYS B 73 -17.586 -5.277 -3.301 1.00 43.10 H new ATOM 0 HA LYS B 73 -18.008 -6.444 -5.969 1.00 2.15 H new ATOM 0 HB2 LYS B 73 -20.258 -5.375 -5.720 1.00 0.25 H new ATOM 0 HB3 LYS B 73 -19.887 -6.540 -4.465 1.00 0.25 H new ATOM 0 HG2 LYS B 73 -19.215 -4.541 -2.983 1.00 14.15 H new ATOM 0 HG3 LYS B 73 -19.911 -3.506 -4.214 1.00 14.15 H new ATOM 0 HD2 LYS B 73 -21.564 -3.902 -2.440 1.00 11.14 H new ATOM 0 HD3 LYS B 73 -22.121 -4.630 -3.934 1.00 11.14 H new ATOM 0 HE2 LYS B 73 -21.415 -6.867 -3.167 1.00 73.14 H new ATOM 0 HE3 LYS B 73 -20.686 -6.184 -1.727 1.00 73.14 H new ATOM 0 HZ1 LYS B 73 -22.854 -7.111 -1.257 1.00 21.54 H new ATOM 0 HZ2 LYS B 73 -22.875 -5.431 -1.010 1.00 21.54 H new ATOM 0 HZ3 LYS B 73 -23.581 -6.093 -2.405 1.00 21.54 H new ATOM 2739 N LEU B 74 -16.544 -3.807 -5.976 1.00 12.54 N ATOM 2740 CA LEU B 74 -15.918 -2.823 -6.901 1.00 21.12 C ATOM 2741 C LEU B 74 -15.213 -3.574 -8.045 1.00 1.21 C ATOM 2742 O LEU B 74 -14.722 -4.692 -7.848 1.00 42.13 O ATOM 2743 CB LEU B 74 -14.891 -1.899 -6.151 1.00 45.12 C ATOM 2744 CG LEU B 74 -15.466 -0.610 -5.467 1.00 43.21 C ATOM 2745 CD1 LEU B 74 -16.012 0.387 -6.511 1.00 24.35 C ATOM 2746 CD2 LEU B 74 -16.545 -0.953 -4.422 1.00 62.30 C ATOM 0 H LEU B 74 -15.964 -4.031 -5.167 1.00 12.54 H new ATOM 0 HA LEU B 74 -16.704 -2.185 -7.305 1.00 21.12 H new ATOM 0 HB2 LEU B 74 -14.393 -2.495 -5.387 1.00 45.12 H new ATOM 0 HB3 LEU B 74 -14.126 -1.592 -6.865 1.00 45.12 H new ATOM 0 HG LEU B 74 -14.638 -0.130 -4.944 1.00 43.21 H new ATOM 0 HD11 LEU B 74 -16.403 1.269 -6.003 1.00 24.35 H new ATOM 0 HD12 LEU B 74 -15.209 0.683 -7.186 1.00 24.35 H new ATOM 0 HD13 LEU B 74 -16.811 -0.086 -7.083 1.00 24.35 H new ATOM 0 HD21 LEU B 74 -16.919 -0.034 -3.970 1.00 62.30 H new ATOM 0 HD22 LEU B 74 -17.367 -1.480 -4.907 1.00 62.30 H new ATOM 0 HD23 LEU B 74 -16.113 -1.588 -3.648 1.00 62.30 H new ATOM 2758 N GLU B 75 -15.129 -2.918 -9.220 1.00 34.34 N ATOM 2759 CA GLU B 75 -14.486 -3.478 -10.438 1.00 51.42 C ATOM 2760 C GLU B 75 -12.968 -3.689 -10.246 1.00 5.14 C ATOM 2761 O GLU B 75 -12.321 -4.368 -11.053 1.00 21.15 O ATOM 2762 CB GLU B 75 -14.725 -2.539 -11.645 1.00 71.11 C ATOM 2763 CG GLU B 75 -16.209 -2.240 -11.937 1.00 34.15 C ATOM 2764 CD GLU B 75 -16.384 -1.215 -13.065 1.00 23.22 C ATOM 2765 OE1 GLU B 75 -16.176 -0.011 -12.804 1.00 41.05 O ATOM 2766 OE2 GLU B 75 -16.702 -1.607 -14.213 1.00 55.14 O ATOM 0 H GLU B 75 -15.505 -1.980 -9.357 1.00 34.34 H new ATOM 0 HA GLU B 75 -14.941 -4.451 -10.626 1.00 51.42 H new ATOM 0 HB2 GLU B 75 -14.206 -1.597 -11.465 1.00 71.11 H new ATOM 0 HB3 GLU B 75 -14.276 -2.986 -12.532 1.00 71.11 H new ATOM 0 HG2 GLU B 75 -16.718 -3.165 -12.207 1.00 34.15 H new ATOM 0 HG3 GLU B 75 -16.687 -1.866 -11.032 1.00 34.15 H new ATOM 2773 N ASP B 76 -12.422 -3.063 -9.196 1.00 45.33 N ATOM 2774 CA ASP B 76 -11.013 -3.185 -8.812 1.00 2.44 C ATOM 2775 C ASP B 76 -10.740 -4.601 -8.281 1.00 12.33 C ATOM 2776 O ASP B 76 -9.939 -5.346 -8.855 1.00 14.54 O ATOM 2777 CB ASP B 76 -10.691 -2.141 -7.703 1.00 52.43 C ATOM 2778 CG ASP B 76 -11.086 -0.700 -8.079 1.00 52.33 C ATOM 2779 OD1 ASP B 76 -12.303 -0.389 -8.081 1.00 41.34 O ATOM 2780 OD2 ASP B 76 -10.196 0.131 -8.361 1.00 34.34 O ATOM 0 H ASP B 76 -12.956 -2.449 -8.581 1.00 45.33 H new ATOM 0 HA ASP B 76 -10.382 -3.002 -9.682 1.00 2.44 H new ATOM 0 HB2 ASP B 76 -11.210 -2.424 -6.787 1.00 52.43 H new ATOM 0 HB3 ASP B 76 -9.623 -2.171 -7.486 1.00 52.43 H new ATOM 2785 N VAL B 77 -11.506 -4.987 -7.242 1.00 31.04 N ATOM 2786 CA VAL B 77 -11.321 -6.250 -6.518 1.00 51.32 C ATOM 2787 C VAL B 77 -11.873 -7.417 -7.347 1.00 74.01 C ATOM 2788 O VAL B 77 -13.073 -7.475 -7.632 1.00 44.41 O ATOM 2789 CB VAL B 77 -12.000 -6.198 -5.092 1.00 12.42 C ATOM 2790 CG1 VAL B 77 -11.999 -7.587 -4.400 1.00 43.23 C ATOM 2791 CG2 VAL B 77 -11.302 -5.152 -4.189 1.00 4.35 C ATOM 0 H VAL B 77 -12.276 -4.423 -6.882 1.00 31.04 H new ATOM 0 HA VAL B 77 -10.253 -6.405 -6.365 1.00 51.32 H new ATOM 0 HB VAL B 77 -13.038 -5.901 -5.241 1.00 12.42 H new ATOM 0 HG11 VAL B 77 -12.475 -7.507 -3.423 1.00 43.23 H new ATOM 0 HG12 VAL B 77 -12.549 -8.300 -5.014 1.00 43.23 H new ATOM 0 HG13 VAL B 77 -10.972 -7.931 -4.277 1.00 43.23 H new ATOM 0 HG21 VAL B 77 -11.786 -5.133 -3.213 1.00 4.35 H new ATOM 0 HG22 VAL B 77 -10.252 -5.418 -4.069 1.00 4.35 H new ATOM 0 HG23 VAL B 77 -11.376 -4.167 -4.649 1.00 4.35 H new ATOM 2801 N VAL B 78 -10.967 -8.297 -7.782 1.00 24.21 N ATOM 2802 CA VAL B 78 -11.309 -9.540 -8.490 1.00 3.20 C ATOM 2803 C VAL B 78 -11.786 -10.591 -7.464 1.00 12.13 C ATOM 2804 O VAL B 78 -12.814 -11.245 -7.660 1.00 15.52 O ATOM 2805 CB VAL B 78 -10.077 -10.079 -9.320 1.00 61.51 C ATOM 2806 CG1 VAL B 78 -10.447 -11.305 -10.179 1.00 43.43 C ATOM 2807 CG2 VAL B 78 -9.458 -8.953 -10.190 1.00 61.14 C ATOM 0 H VAL B 78 -9.964 -8.168 -7.653 1.00 24.21 H new ATOM 0 HA VAL B 78 -12.112 -9.338 -9.199 1.00 3.20 H new ATOM 0 HB VAL B 78 -9.325 -10.408 -8.602 1.00 61.51 H new ATOM 0 HG11 VAL B 78 -9.569 -11.640 -10.732 1.00 43.43 H new ATOM 0 HG12 VAL B 78 -10.798 -12.109 -9.533 1.00 43.43 H new ATOM 0 HG13 VAL B 78 -11.235 -11.033 -10.881 1.00 43.43 H new ATOM 0 HG21 VAL B 78 -8.612 -9.350 -10.751 1.00 61.14 H new ATOM 0 HG22 VAL B 78 -10.209 -8.575 -10.884 1.00 61.14 H new ATOM 0 HG23 VAL B 78 -9.118 -8.142 -9.547 1.00 61.14 H new ATOM 2817 N LYS B 79 -11.014 -10.720 -6.363 1.00 45.12 N ATOM 2818 CA LYS B 79 -11.322 -11.613 -5.214 1.00 61.32 C ATOM 2819 C LYS B 79 -10.809 -10.969 -3.915 1.00 0.20 C ATOM 2820 O LYS B 79 -9.835 -10.221 -3.951 1.00 75.12 O ATOM 2821 CB LYS B 79 -10.661 -13.022 -5.377 1.00 14.11 C ATOM 2822 CG LYS B 79 -11.262 -13.898 -6.498 1.00 32.40 C ATOM 2823 CD LYS B 79 -10.574 -15.278 -6.621 1.00 0.14 C ATOM 2824 CE LYS B 79 -11.211 -16.156 -7.715 1.00 30.04 C ATOM 2825 NZ LYS B 79 -11.116 -15.526 -9.060 1.00 31.41 N ATOM 0 H LYS B 79 -10.145 -10.200 -6.241 1.00 45.12 H new ATOM 0 HA LYS B 79 -12.403 -11.746 -5.178 1.00 61.32 H new ATOM 0 HB2 LYS B 79 -9.597 -12.887 -5.572 1.00 14.11 H new ATOM 0 HB3 LYS B 79 -10.746 -13.558 -4.432 1.00 14.11 H new ATOM 0 HG2 LYS B 79 -12.325 -14.044 -6.307 1.00 32.40 H new ATOM 0 HG3 LYS B 79 -11.178 -13.370 -7.448 1.00 32.40 H new ATOM 0 HD2 LYS B 79 -9.517 -15.135 -6.843 1.00 0.14 H new ATOM 0 HD3 LYS B 79 -10.631 -15.796 -5.664 1.00 0.14 H new ATOM 0 HE2 LYS B 79 -10.717 -17.127 -7.734 1.00 30.04 H new ATOM 0 HE3 LYS B 79 -12.258 -16.336 -7.472 1.00 30.04 H new ATOM 0 HZ1 LYS B 79 -11.432 -16.203 -9.784 1.00 31.41 H new ATOM 0 HZ2 LYS B 79 -11.720 -14.680 -9.091 1.00 31.41 H new ATOM 0 HZ3 LYS B 79 -10.130 -15.254 -9.247 1.00 31.41 H new ATOM 2839 N VAL B 80 -11.477 -11.263 -2.783 1.00 71.11 N ATOM 2840 CA VAL B 80 -11.028 -10.850 -1.430 1.00 33.54 C ATOM 2841 C VAL B 80 -11.012 -12.093 -0.505 1.00 53.23 C ATOM 2842 O VAL B 80 -11.774 -13.046 -0.722 1.00 64.50 O ATOM 2843 CB VAL B 80 -11.936 -9.700 -0.810 1.00 44.22 C ATOM 2844 CG1 VAL B 80 -13.335 -10.209 -0.384 1.00 40.54 C ATOM 2845 CG2 VAL B 80 -11.226 -8.975 0.365 1.00 22.42 C ATOM 0 H VAL B 80 -12.347 -11.795 -2.776 1.00 71.11 H new ATOM 0 HA VAL B 80 -10.024 -10.434 -1.517 1.00 33.54 H new ATOM 0 HB VAL B 80 -12.091 -8.974 -1.608 1.00 44.22 H new ATOM 0 HG11 VAL B 80 -13.912 -9.383 0.032 1.00 40.54 H new ATOM 0 HG12 VAL B 80 -13.855 -10.613 -1.252 1.00 40.54 H new ATOM 0 HG13 VAL B 80 -13.225 -10.990 0.369 1.00 40.54 H new ATOM 0 HG21 VAL B 80 -11.879 -8.197 0.760 1.00 22.42 H new ATOM 0 HG22 VAL B 80 -11.000 -9.694 1.153 1.00 22.42 H new ATOM 0 HG23 VAL B 80 -10.300 -8.524 0.008 1.00 22.42 H new ATOM 2855 N GLN B 81 -10.119 -12.089 0.497 1.00 51.21 N ATOM 2856 CA GLN B 81 -9.980 -13.166 1.490 1.00 4.32 C ATOM 2857 C GLN B 81 -9.422 -12.565 2.798 1.00 12.52 C ATOM 2858 O GLN B 81 -8.657 -11.594 2.768 1.00 10.12 O ATOM 2859 CB GLN B 81 -9.072 -14.306 0.943 1.00 50.01 C ATOM 2860 CG GLN B 81 -8.856 -15.491 1.907 1.00 3.22 C ATOM 2861 CD GLN B 81 -7.964 -16.595 1.333 1.00 52.13 C ATOM 2862 OE1 GLN B 81 -8.445 -17.546 0.717 1.00 73.34 O ATOM 2863 NE2 GLN B 81 -6.658 -16.466 1.512 1.00 73.52 N ATOM 0 H GLN B 81 -9.461 -11.323 0.642 1.00 51.21 H new ATOM 0 HA GLN B 81 -10.954 -13.611 1.695 1.00 4.32 H new ATOM 0 HB2 GLN B 81 -9.508 -14.685 0.019 1.00 50.01 H new ATOM 0 HB3 GLN B 81 -8.100 -13.884 0.687 1.00 50.01 H new ATOM 0 HG2 GLN B 81 -8.412 -15.120 2.831 1.00 3.22 H new ATOM 0 HG3 GLN B 81 -9.825 -15.917 2.168 1.00 3.22 H new ATOM 0 HE21 GLN B 81 -6.290 -15.666 2.027 1.00 73.52 H new ATOM 0 HE22 GLN B 81 -6.020 -17.167 1.135 1.00 73.52 H new ATOM 2872 N ARG B 82 -9.820 -13.152 3.935 1.00 51.23 N ATOM 2873 CA ARG B 82 -9.522 -12.631 5.282 1.00 60.11 C ATOM 2874 C ARG B 82 -8.536 -13.581 5.987 1.00 42.21 C ATOM 2875 O ARG B 82 -8.924 -14.652 6.455 1.00 71.13 O ATOM 2876 CB ARG B 82 -10.858 -12.487 6.069 1.00 12.43 C ATOM 2877 CG ARG B 82 -11.915 -11.631 5.326 1.00 23.40 C ATOM 2878 CD ARG B 82 -13.298 -11.639 5.990 1.00 30.35 C ATOM 2879 NE ARG B 82 -13.291 -11.028 7.327 1.00 53.31 N ATOM 2880 CZ ARG B 82 -14.383 -10.604 7.983 1.00 64.03 C ATOM 2881 NH1 ARG B 82 -15.599 -10.718 7.445 1.00 31.13 N ATOM 2882 NH2 ARG B 82 -14.249 -10.073 9.184 1.00 0.42 N ATOM 0 H ARG B 82 -10.365 -14.014 3.948 1.00 51.23 H new ATOM 0 HA ARG B 82 -9.052 -11.649 5.226 1.00 60.11 H new ATOM 0 HB2 ARG B 82 -11.270 -13.478 6.257 1.00 12.43 H new ATOM 0 HB3 ARG B 82 -10.653 -12.037 7.040 1.00 12.43 H new ATOM 0 HG2 ARG B 82 -11.558 -10.603 5.265 1.00 23.40 H new ATOM 0 HG3 ARG B 82 -12.011 -11.997 4.304 1.00 23.40 H new ATOM 0 HD2 ARG B 82 -14.004 -11.104 5.355 1.00 30.35 H new ATOM 0 HD3 ARG B 82 -13.653 -12.667 6.067 1.00 30.35 H new ATOM 0 HE ARG B 82 -12.389 -10.918 7.791 1.00 53.31 H new ATOM 0 HH11 ARG B 82 -15.711 -11.133 6.520 1.00 31.13 H new ATOM 0 HH12 ARG B 82 -16.417 -10.390 7.959 1.00 31.13 H new ATOM 0 HH21 ARG B 82 -13.323 -9.988 9.604 1.00 0.42 H new ATOM 0 HH22 ARG B 82 -15.071 -9.747 9.692 1.00 0.42 H new ATOM 2896 N ASN B 83 -7.254 -13.190 6.002 1.00 62.02 N ATOM 2897 CA ASN B 83 -6.136 -13.988 6.565 1.00 35.41 C ATOM 2898 C ASN B 83 -5.795 -13.531 7.999 1.00 34.55 C ATOM 2899 O ASN B 83 -6.095 -12.399 8.383 1.00 75.32 O ATOM 2900 CB ASN B 83 -4.870 -13.875 5.668 1.00 65.20 C ATOM 2901 CG ASN B 83 -5.028 -14.431 4.253 1.00 51.25 C ATOM 2902 OD1 ASN B 83 -6.122 -14.480 3.695 1.00 60.24 O ATOM 2903 ND2 ASN B 83 -3.918 -14.843 3.652 1.00 1.11 N ATOM 0 H ASN B 83 -6.951 -12.295 5.618 1.00 62.02 H new ATOM 0 HA ASN B 83 -6.459 -15.028 6.596 1.00 35.41 H new ATOM 0 HB2 ASN B 83 -4.584 -12.825 5.600 1.00 65.20 H new ATOM 0 HB3 ASN B 83 -4.048 -14.398 6.158 1.00 65.20 H new ATOM 0 HD21 ASN B 83 -3.959 -15.212 2.702 1.00 1.11 H new ATOM 0 HD22 ASN B 83 -3.024 -14.790 4.140 1.00 1.11 H new ATOM 2910 N GLN B 84 -5.182 -14.437 8.784 1.00 13.44 N ATOM 2911 CA GLN B 84 -4.700 -14.144 10.154 1.00 5.12 C ATOM 2912 C GLN B 84 -3.280 -13.536 10.096 1.00 31.31 C ATOM 2913 O GLN B 84 -2.499 -13.869 9.193 1.00 23.43 O ATOM 2914 CB GLN B 84 -4.673 -15.457 10.984 1.00 73.31 C ATOM 2915 CG GLN B 84 -4.231 -15.285 12.454 1.00 55.21 C ATOM 2916 CD GLN B 84 -4.007 -16.615 13.175 1.00 2.13 C ATOM 2917 OE1 GLN B 84 -4.931 -17.192 13.744 1.00 72.13 O ATOM 2918 NE2 GLN B 84 -2.780 -17.110 13.154 1.00 11.55 N ATOM 0 H GLN B 84 -5.005 -15.397 8.488 1.00 13.44 H new ATOM 0 HA GLN B 84 -5.373 -13.428 10.626 1.00 5.12 H new ATOM 0 HB2 GLN B 84 -5.668 -15.901 10.968 1.00 73.31 H new ATOM 0 HB3 GLN B 84 -4.001 -16.164 10.498 1.00 73.31 H new ATOM 0 HG2 GLN B 84 -3.310 -14.703 12.484 1.00 55.21 H new ATOM 0 HG3 GLN B 84 -4.988 -14.712 12.990 1.00 55.21 H new ATOM 0 HE21 GLN B 84 -2.035 -16.606 12.673 1.00 11.55 H new ATOM 0 HE22 GLN B 84 -2.579 -17.995 13.619 1.00 11.55 H new ATOM 2927 N SER B 85 -2.958 -12.642 11.051 1.00 12.41 N ATOM 2928 CA SER B 85 -1.653 -11.976 11.111 1.00 43.41 C ATOM 2929 C SER B 85 -0.609 -12.876 11.786 1.00 71.53 C ATOM 2930 O SER B 85 -0.750 -13.254 12.955 1.00 63.34 O ATOM 2931 CB SER B 85 -1.794 -10.607 11.803 1.00 65.52 C ATOM 2932 OG SER B 85 -0.563 -9.901 11.875 1.00 23.03 O ATOM 0 H SER B 85 -3.596 -12.366 11.797 1.00 12.41 H new ATOM 0 HA SER B 85 -1.293 -11.795 10.098 1.00 43.41 H new ATOM 0 HB2 SER B 85 -2.523 -10.004 11.262 1.00 65.52 H new ATOM 0 HB3 SER B 85 -2.185 -10.752 12.810 1.00 65.52 H new ATOM 0 HG SER B 85 -0.283 -9.825 12.811 1.00 23.03 H new ATOM 2938 N ASP B 86 0.420 -13.241 10.993 1.00 52.42 N ATOM 2939 CA ASP B 86 1.542 -14.097 11.411 1.00 32.23 C ATOM 2940 C ASP B 86 2.862 -13.458 10.930 1.00 42.21 C ATOM 2941 O ASP B 86 2.932 -13.019 9.785 1.00 43.13 O ATOM 2942 CB ASP B 86 1.388 -15.523 10.811 1.00 10.45 C ATOM 2943 CG ASP B 86 0.153 -16.269 11.346 1.00 65.11 C ATOM 2944 OD1 ASP B 86 0.256 -16.934 12.399 1.00 34.04 O ATOM 2945 OD2 ASP B 86 -0.926 -16.195 10.712 1.00 5.23 O ATOM 0 H ASP B 86 0.492 -12.940 10.021 1.00 52.42 H new ATOM 0 HA ASP B 86 1.549 -14.184 12.498 1.00 32.23 H new ATOM 0 HB2 ASP B 86 1.319 -15.449 9.726 1.00 10.45 H new ATOM 0 HB3 ASP B 86 2.282 -16.104 11.035 1.00 10.45 H new ATOM 2950 N PRO B 87 3.933 -13.388 11.792 1.00 72.52 N ATOM 2951 CA PRO B 87 5.240 -12.750 11.434 1.00 23.41 C ATOM 2952 C PRO B 87 5.919 -13.356 10.180 1.00 25.31 C ATOM 2953 O PRO B 87 6.449 -12.630 9.333 1.00 22.05 O ATOM 2954 CB PRO B 87 6.110 -12.980 12.700 1.00 4.32 C ATOM 2955 CG PRO B 87 5.114 -13.137 13.812 1.00 71.34 C ATOM 2956 CD PRO B 87 3.946 -13.879 13.201 1.00 54.51 C ATOM 0 HA PRO B 87 5.103 -11.702 11.168 1.00 23.41 H new ATOM 0 HB2 PRO B 87 6.735 -13.867 12.597 1.00 4.32 H new ATOM 0 HB3 PRO B 87 6.779 -12.139 12.881 1.00 4.32 H new ATOM 0 HG2 PRO B 87 5.541 -13.694 14.646 1.00 71.34 H new ATOM 0 HG3 PRO B 87 4.804 -12.167 14.202 1.00 71.34 H new ATOM 0 HD2 PRO B 87 4.084 -14.959 13.250 1.00 54.51 H new ATOM 0 HD3 PRO B 87 3.012 -13.654 13.715 1.00 54.51 H new ATOM 2964 N THR B 88 5.884 -14.693 10.073 1.00 30.11 N ATOM 2965 CA THR B 88 6.532 -15.419 8.966 1.00 70.34 C ATOM 2966 C THR B 88 5.751 -15.285 7.643 1.00 55.44 C ATOM 2967 O THR B 88 6.313 -15.528 6.566 1.00 75.42 O ATOM 2968 CB THR B 88 6.699 -16.923 9.325 1.00 42.40 C ATOM 2969 OG1 THR B 88 5.417 -17.483 9.645 1.00 42.42 O ATOM 2970 CG2 THR B 88 7.662 -17.135 10.512 1.00 42.10 C ATOM 0 H THR B 88 5.411 -15.298 10.744 1.00 30.11 H new ATOM 0 HA THR B 88 7.513 -14.966 8.821 1.00 70.34 H new ATOM 0 HB THR B 88 7.128 -17.424 8.457 1.00 42.40 H new ATOM 0 HG1 THR B 88 5.521 -18.431 9.870 1.00 42.42 H new ATOM 0 HG21 THR B 88 7.747 -18.200 10.726 1.00 42.10 H new ATOM 0 HG22 THR B 88 8.644 -16.736 10.259 1.00 42.10 H new ATOM 0 HG23 THR B 88 7.276 -16.618 11.391 1.00 42.10 H new ATOM 2978 N MET B 89 4.463 -14.892 7.742 1.00 62.22 N ATOM 2979 CA MET B 89 3.573 -14.722 6.579 1.00 21.51 C ATOM 2980 C MET B 89 4.129 -13.642 5.636 1.00 70.41 C ATOM 2981 O MET B 89 4.180 -13.851 4.425 1.00 14.13 O ATOM 2982 CB MET B 89 2.140 -14.374 7.062 1.00 24.31 C ATOM 2983 CG MET B 89 1.063 -14.326 5.966 1.00 61.21 C ATOM 2984 SD MET B 89 1.193 -12.895 4.874 1.00 10.25 S ATOM 2985 CE MET B 89 -0.089 -13.266 3.677 1.00 31.31 C ATOM 0 H MET B 89 4.013 -14.684 8.633 1.00 62.22 H new ATOM 0 HA MET B 89 3.525 -15.656 6.019 1.00 21.51 H new ATOM 0 HB2 MET B 89 1.840 -15.108 7.810 1.00 24.31 H new ATOM 0 HB3 MET B 89 2.169 -13.405 7.560 1.00 24.31 H new ATOM 0 HG2 MET B 89 1.127 -15.235 5.367 1.00 61.21 H new ATOM 0 HG3 MET B 89 0.080 -14.323 6.437 1.00 61.21 H new ATOM 0 HE1 MET B 89 0.163 -12.809 2.720 1.00 31.31 H new ATOM 0 HE2 MET B 89 -0.170 -14.346 3.553 1.00 31.31 H new ATOM 0 HE3 MET B 89 -1.041 -12.869 4.029 1.00 31.31 H new ATOM 2995 N PHE B 90 4.564 -12.510 6.231 1.00 52.25 N ATOM 2996 CA PHE B 90 5.213 -11.379 5.518 1.00 42.21 C ATOM 2997 C PHE B 90 6.367 -11.840 4.609 1.00 35.33 C ATOM 2998 O PHE B 90 6.427 -11.479 3.428 1.00 73.53 O ATOM 2999 CB PHE B 90 5.769 -10.354 6.542 1.00 2.32 C ATOM 3000 CG PHE B 90 4.708 -9.711 7.426 1.00 63.03 C ATOM 3001 CD1 PHE B 90 4.220 -10.366 8.560 1.00 71.21 C ATOM 3002 CD2 PHE B 90 4.201 -8.452 7.127 1.00 23.43 C ATOM 3003 CE1 PHE B 90 3.263 -9.786 9.361 1.00 64.11 C ATOM 3004 CE2 PHE B 90 3.247 -7.876 7.929 1.00 11.35 C ATOM 3005 CZ PHE B 90 2.777 -8.541 9.049 1.00 11.41 C ATOM 0 H PHE B 90 4.475 -12.350 7.234 1.00 52.25 H new ATOM 0 HA PHE B 90 4.447 -10.923 4.891 1.00 42.21 H new ATOM 0 HB2 PHE B 90 6.500 -10.853 7.177 1.00 2.32 H new ATOM 0 HB3 PHE B 90 6.299 -9.570 6.002 1.00 2.32 H new ATOM 0 HD1 PHE B 90 4.601 -11.345 8.812 1.00 71.21 H new ATOM 0 HD2 PHE B 90 4.560 -7.923 6.257 1.00 23.43 H new ATOM 0 HE1 PHE B 90 2.896 -10.309 10.232 1.00 64.11 H new ATOM 0 HE2 PHE B 90 2.860 -6.898 7.685 1.00 11.35 H new ATOM 0 HZ PHE B 90 2.028 -8.080 9.677 1.00 11.41 H new ATOM 3015 N ASN B 91 7.270 -12.646 5.184 1.00 71.10 N ATOM 3016 CA ASN B 91 8.480 -13.125 4.494 1.00 55.11 C ATOM 3017 C ASN B 91 8.112 -14.172 3.416 1.00 72.44 C ATOM 3018 O ASN B 91 8.785 -14.272 2.378 1.00 12.40 O ATOM 3019 CB ASN B 91 9.467 -13.700 5.542 1.00 1.51 C ATOM 3020 CG ASN B 91 10.806 -14.146 4.946 1.00 14.21 C ATOM 3021 OD1 ASN B 91 11.004 -15.316 4.624 1.00 32.10 O ATOM 3022 ND2 ASN B 91 11.716 -13.205 4.748 1.00 52.31 N ATOM 0 H ASN B 91 7.184 -12.986 6.142 1.00 71.10 H new ATOM 0 HA ASN B 91 8.965 -12.295 3.980 1.00 55.11 H new ATOM 0 HB2 ASN B 91 9.653 -12.945 6.306 1.00 1.51 H new ATOM 0 HB3 ASN B 91 9.000 -14.550 6.040 1.00 1.51 H new ATOM 0 HD21 ASN B 91 12.610 -13.442 4.318 1.00 52.31 H new ATOM 0 HD22 ASN B 91 11.523 -12.243 5.026 1.00 52.31 H new ATOM 3029 N LYS B 92 7.014 -14.911 3.683 1.00 2.45 N ATOM 3030 CA LYS B 92 6.497 -15.989 2.820 1.00 1.22 C ATOM 3031 C LYS B 92 6.131 -15.479 1.408 1.00 21.11 C ATOM 3032 O LYS B 92 6.699 -15.940 0.410 1.00 63.20 O ATOM 3033 CB LYS B 92 5.262 -16.652 3.494 1.00 45.34 C ATOM 3034 CG LYS B 92 4.630 -17.817 2.706 1.00 50.14 C ATOM 3035 CD LYS B 92 3.388 -18.401 3.416 1.00 63.12 C ATOM 3036 CE LYS B 92 2.749 -19.566 2.639 1.00 54.31 C ATOM 3037 NZ LYS B 92 3.705 -20.685 2.432 1.00 55.10 N ATOM 0 H LYS B 92 6.452 -14.770 4.523 1.00 2.45 H new ATOM 0 HA LYS B 92 7.289 -16.728 2.698 1.00 1.22 H new ATOM 0 HB2 LYS B 92 5.558 -17.018 4.477 1.00 45.34 H new ATOM 0 HB3 LYS B 92 4.501 -15.888 3.654 1.00 45.34 H new ATOM 0 HG2 LYS B 92 4.347 -17.469 1.712 1.00 50.14 H new ATOM 0 HG3 LYS B 92 5.371 -18.604 2.569 1.00 50.14 H new ATOM 0 HD2 LYS B 92 3.672 -18.746 4.410 1.00 63.12 H new ATOM 0 HD3 LYS B 92 2.648 -17.612 3.552 1.00 63.12 H new ATOM 0 HE2 LYS B 92 1.877 -19.930 3.182 1.00 54.31 H new ATOM 0 HE3 LYS B 92 2.396 -19.207 1.672 1.00 54.31 H new ATOM 0 HZ1 LYS B 92 3.199 -21.506 2.043 1.00 55.10 H new ATOM 0 HZ2 LYS B 92 4.447 -20.389 1.767 1.00 55.10 H new ATOM 0 HZ3 LYS B 92 4.138 -20.944 3.341 1.00 55.10 H new ATOM 3051 N ILE B 93 5.186 -14.517 1.327 1.00 52.34 N ATOM 3052 CA ILE B 93 4.686 -14.021 0.022 1.00 34.25 C ATOM 3053 C ILE B 93 5.694 -13.064 -0.638 1.00 54.31 C ATOM 3054 O ILE B 93 5.686 -12.908 -1.857 1.00 42.22 O ATOM 3055 CB ILE B 93 3.255 -13.358 0.086 1.00 73.02 C ATOM 3056 CG1 ILE B 93 3.250 -11.940 0.754 1.00 75.20 C ATOM 3057 CG2 ILE B 93 2.246 -14.301 0.785 1.00 74.33 C ATOM 3058 CD1 ILE B 93 3.375 -11.907 2.259 1.00 52.40 C ATOM 0 H ILE B 93 4.757 -14.072 2.138 1.00 52.34 H new ATOM 0 HA ILE B 93 4.578 -14.912 -0.597 1.00 34.25 H new ATOM 0 HB ILE B 93 2.944 -13.204 -0.947 1.00 73.02 H new ATOM 0 HG12 ILE B 93 4.070 -11.360 0.330 1.00 75.20 H new ATOM 0 HG13 ILE B 93 2.325 -11.435 0.477 1.00 75.20 H new ATOM 0 HG21 ILE B 93 1.266 -13.825 0.819 1.00 74.33 H new ATOM 0 HG22 ILE B 93 2.176 -15.236 0.229 1.00 74.33 H new ATOM 0 HG23 ILE B 93 2.584 -14.507 1.800 1.00 74.33 H new ATOM 0 HD11 ILE B 93 3.359 -10.873 2.603 1.00 52.40 H new ATOM 0 HD12 ILE B 93 2.542 -12.450 2.705 1.00 52.40 H new ATOM 0 HD13 ILE B 93 4.314 -12.374 2.556 1.00 52.40 H new ATOM 3070 N ALA B 94 6.530 -12.406 0.189 1.00 21.41 N ATOM 3071 CA ALA B 94 7.598 -11.505 -0.291 1.00 21.02 C ATOM 3072 C ALA B 94 8.594 -12.233 -1.222 1.00 64.41 C ATOM 3073 O ALA B 94 9.023 -11.680 -2.244 1.00 4.53 O ATOM 3074 CB ALA B 94 8.330 -10.888 0.904 1.00 41.15 C ATOM 0 H ALA B 94 6.485 -12.483 1.205 1.00 21.41 H new ATOM 0 HA ALA B 94 7.132 -10.714 -0.878 1.00 21.02 H new ATOM 0 HB1 ALA B 94 9.117 -10.224 0.546 1.00 41.15 H new ATOM 0 HB2 ALA B 94 7.624 -10.320 1.509 1.00 41.15 H new ATOM 0 HB3 ALA B 94 8.771 -11.680 1.509 1.00 41.15 H new ATOM 3080 N VAL B 95 8.952 -13.483 -0.858 1.00 24.24 N ATOM 3081 CA VAL B 95 9.874 -14.317 -1.664 1.00 42.50 C ATOM 3082 C VAL B 95 9.106 -15.095 -2.758 1.00 13.12 C ATOM 3083 O VAL B 95 9.667 -15.415 -3.809 1.00 41.31 O ATOM 3084 CB VAL B 95 10.707 -15.308 -0.755 1.00 44.44 C ATOM 3085 CG1 VAL B 95 9.813 -16.351 -0.051 1.00 11.35 C ATOM 3086 CG2 VAL B 95 11.860 -15.984 -1.542 1.00 33.52 C ATOM 0 H VAL B 95 8.616 -13.939 -0.010 1.00 24.24 H new ATOM 0 HA VAL B 95 10.578 -13.644 -2.153 1.00 42.50 H new ATOM 0 HB VAL B 95 11.161 -14.701 0.028 1.00 44.44 H new ATOM 0 HG11 VAL B 95 10.432 -17.007 0.561 1.00 11.35 H new ATOM 0 HG12 VAL B 95 9.089 -15.840 0.584 1.00 11.35 H new ATOM 0 HG13 VAL B 95 9.286 -16.943 -0.799 1.00 11.35 H new ATOM 0 HG21 VAL B 95 12.407 -16.656 -0.881 1.00 33.52 H new ATOM 0 HG22 VAL B 95 11.447 -16.552 -2.376 1.00 33.52 H new ATOM 0 HG23 VAL B 95 12.537 -15.220 -1.923 1.00 33.52 H new ATOM 3096 N PHE B 96 7.811 -15.371 -2.511 1.00 43.22 N ATOM 3097 CA PHE B 96 6.963 -16.162 -3.432 1.00 34.20 C ATOM 3098 C PHE B 96 6.526 -15.312 -4.657 1.00 21.00 C ATOM 3099 O PHE B 96 6.351 -15.843 -5.762 1.00 32.22 O ATOM 3100 CB PHE B 96 5.745 -16.724 -2.647 1.00 62.34 C ATOM 3101 CG PHE B 96 4.977 -17.846 -3.352 1.00 62.22 C ATOM 3102 CD1 PHE B 96 5.629 -19.016 -3.751 1.00 4.51 C ATOM 3103 CD2 PHE B 96 3.611 -17.739 -3.615 1.00 24.15 C ATOM 3104 CE1 PHE B 96 4.941 -20.035 -4.383 1.00 73.21 C ATOM 3105 CE2 PHE B 96 2.925 -18.761 -4.245 1.00 21.32 C ATOM 3106 CZ PHE B 96 3.591 -19.906 -4.634 1.00 74.42 C ATOM 0 H PHE B 96 7.323 -15.055 -1.673 1.00 43.22 H new ATOM 0 HA PHE B 96 7.537 -17.001 -3.827 1.00 34.20 H new ATOM 0 HB2 PHE B 96 6.094 -17.094 -1.683 1.00 62.34 H new ATOM 0 HB3 PHE B 96 5.055 -15.905 -2.443 1.00 62.34 H new ATOM 0 HD1 PHE B 96 6.687 -19.126 -3.563 1.00 4.51 H new ATOM 0 HD2 PHE B 96 3.081 -16.844 -3.322 1.00 24.15 H new ATOM 0 HE1 PHE B 96 5.461 -20.933 -4.681 1.00 73.21 H new ATOM 0 HE2 PHE B 96 1.866 -18.663 -4.433 1.00 21.32 H new ATOM 0 HZ PHE B 96 3.056 -20.700 -5.134 1.00 74.42 H new ATOM 3116 N PHE B 97 6.365 -13.994 -4.411 1.00 54.23 N ATOM 3117 CA PHE B 97 6.067 -12.947 -5.419 1.00 61.42 C ATOM 3118 C PHE B 97 4.780 -13.244 -6.245 1.00 24.23 C ATOM 3119 O PHE B 97 4.757 -13.118 -7.478 1.00 21.33 O ATOM 3120 CB PHE B 97 7.323 -12.676 -6.310 1.00 73.31 C ATOM 3121 CG PHE B 97 7.220 -11.437 -7.220 1.00 10.21 C ATOM 3122 CD1 PHE B 97 7.121 -10.156 -6.670 1.00 60.30 C ATOM 3123 CD2 PHE B 97 7.216 -11.555 -8.617 1.00 0.42 C ATOM 3124 CE1 PHE B 97 7.018 -9.043 -7.480 1.00 41.33 C ATOM 3125 CE2 PHE B 97 7.113 -10.439 -9.425 1.00 31.30 C ATOM 3126 CZ PHE B 97 7.014 -9.183 -8.855 1.00 64.04 C ATOM 0 H PHE B 97 6.442 -13.612 -3.468 1.00 54.23 H new ATOM 0 HA PHE B 97 5.840 -12.025 -4.883 1.00 61.42 H new ATOM 0 HB2 PHE B 97 8.192 -12.561 -5.662 1.00 73.31 H new ATOM 0 HB3 PHE B 97 7.504 -13.552 -6.933 1.00 73.31 H new ATOM 0 HD1 PHE B 97 7.125 -10.035 -5.597 1.00 60.30 H new ATOM 0 HD2 PHE B 97 7.295 -12.533 -9.068 1.00 0.42 H new ATOM 0 HE1 PHE B 97 6.940 -8.061 -7.038 1.00 41.33 H new ATOM 0 HE2 PHE B 97 7.110 -10.547 -10.500 1.00 31.30 H new ATOM 0 HZ PHE B 97 6.933 -8.310 -9.485 1.00 64.04 H new ATOM 3136 N GLN B 98 3.713 -13.634 -5.530 1.00 71.13 N ATOM 3137 CA GLN B 98 2.352 -13.796 -6.084 1.00 63.50 C ATOM 3138 C GLN B 98 1.348 -14.027 -4.918 1.00 53.52 C ATOM 3139 O GLN B 98 0.299 -13.352 -4.885 1.00 32.43 O ATOM 3140 CB GLN B 98 2.282 -14.930 -7.161 1.00 63.33 C ATOM 3141 CG GLN B 98 2.760 -16.307 -6.684 1.00 20.13 C ATOM 3142 CD GLN B 98 2.932 -17.322 -7.810 1.00 4.53 C ATOM 3143 OE1 GLN B 98 1.998 -18.046 -8.165 1.00 13.04 O ATOM 3144 NE2 GLN B 98 4.125 -17.388 -8.376 1.00 15.01 N ATOM 3145 OXT GLN B 98 1.647 -14.837 -4.006 1.00 38.73 O ATOM 0 H GLN B 98 3.769 -13.850 -4.535 1.00 71.13 H new ATOM 0 HA GLN B 98 2.075 -12.881 -6.607 1.00 63.50 H new ATOM 0 HB2 GLN B 98 1.252 -15.019 -7.507 1.00 63.33 H new ATOM 0 HB3 GLN B 98 2.882 -14.632 -8.021 1.00 63.33 H new ATOM 0 HG2 GLN B 98 3.711 -16.191 -6.163 1.00 20.13 H new ATOM 0 HG3 GLN B 98 2.046 -16.699 -5.960 1.00 20.13 H new ATOM 0 HE21 GLN B 98 4.875 -16.774 -8.058 1.00 15.01 H new ATOM 0 HE22 GLN B 98 4.295 -18.053 -9.131 1.00 15.01 H new TER 3154 GLN B 98