USER MOD reduce.3.24.130724 H: found=0, std=0, add=1576, rem=0, adj=37 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: A 91 ASN : amide:sc= -1.94 K(o=-4,f=-0.017) USER MOD Set 1.2: B 91 ASN : amide:sc= -2.03 K(o=-4,f=-0.017) USER MOD Set 2.1: B 10 ASN : amide:sc= 0.0413 K(o=0.041,f=-4!) USER MOD Set 2.2: B 85 SER OG : rot -159:sc=-0.000244 USER MOD Set 3.1: B 43 CYS SG : rot 11:sc= 0.724! USER MOD Set 3.2: B 52 SER OG : rot -171:sc= 1.77 USER MOD Set 4.1: A 5 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Set 4.2: B 47 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Set 5.1: A 28 CYS SG : rot 94:sc= 0.0331 USER MOD Set 5.2: B 28 CYS SG : rot 93:sc= -0.063 USER MOD Set 6.1: B 16 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: B 53 HIS : no HD1:sc= -0.75 K(o=-0.75,f=-2.1) USER MOD Set 7.1: A 47 GLN : amide:sc= -0.146 K(o=-0.24,f=-3.3) USER MOD Set 7.2: A 98 GLN : amide:sc= -0.0299 K(o=-0.24,f=-2.8!) USER MOD Set 7.3: B 5 ASN : amide:sc= -0.0628 K(o=-0.24,f=-3.3) USER MOD Set 8.1: A 43 CYS SG : rot 4:sc= 0.732! USER MOD Set 8.2: A 52 SER OG : rot -168:sc= 1.79! USER MOD Set 9.1: A 16 THR OG1 : rot 180:sc=-0.00245 USER MOD Set 9.2: A 53 HIS : no HD1:sc= -0.797 K(o=-0.8,f=-2.1) USER MOD Set10.1: A 6 THR OG1 : rot -104:sc=-0.00351 USER MOD Set10.2: A 10 ASN : amide:sc= 0.646 K(o=0.64,f=-4.6!) USER MOD Set10.3: A 85 SER OG : rot -96:sc= 0 USER MOD Set11.1: A 2 SER OG : rot 87:sc= 0.479 USER MOD Set11.2: B 19 ASN : amide:sc= 0.416 K(o=0.9,f=-1.2!) USER MOD Single : A 1 GLY N :NH3+ -163:sc= 0.571 (180deg=0.362) USER MOD Single : A 3 MET CE :methyl -165:sc= -0.144 (180deg=-0.5) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0716 K(o=-0.072,f=-1.5!) USER MOD Single : A 20 HIS : no HD1:sc=-0.00257 X(o=-0.0026,f=-0.078) USER MOD Single : A 24 MET CE :methyl -167:sc= -0.779 (180deg=-1.03) USER MOD Single : A 25 THR OG1 : rot 110:sc= -0.0288 USER MOD Single : A 26 HIS : no HE2:sc= -0.345 X(o=-0.35,f=-0.65) USER MOD Single : A 37 ASN : amide:sc= -2.99 X(o=-3,f=-3.1!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.676 K(o=0.68,f=-6!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 67 MET CE :methyl -163:sc= -2.06 (180deg=-2.31!) USER MOD Single : A 69 SER OG : rot 76:sc= 0.625 USER MOD Single : A 70 GLN : amide:sc= -2.69! K(o=-2.7!,f=-0.9) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= -0.0139 (180deg=-0.192) USER MOD Single : A 81 GLN : amide:sc= 0.00487 K(o=0.0049,f=-2.2!) USER MOD Single : A 83 ASN : amide:sc= -0.0935 K(o=-0.093,f=-0.9) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 88 THR OG1 : rot 2:sc= 0.479 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -132:sc= 0.822 (180deg=-8.37e-05) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot -57:sc= 0.0903 USER MOD Single : B 3 MET CE :methyl -160:sc= -0.155 (180deg=-0.731) USER MOD Single : B 4 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 6 THR OG1 : rot 51:sc= 0.162 USER MOD Single : B 7 THR OG1 : rot 53:sc= 0.174 USER MOD Single : B 8 HIS : no HD1:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : B 20 HIS : no HD1:sc=-0.00337 X(o=-0.0034,f=-0.095) USER MOD Single : B 24 MET CE :methyl -168:sc= -0.545 (180deg=-0.846) USER MOD Single : B 25 THR OG1 : rot 110:sc= -0.003 USER MOD Single : B 26 HIS : no HE2:sc= -0.345 K(o=-0.34,f=-0.86) USER MOD Single : B 37 ASN : amide:sc= -3.78 X(o=-3.8,f=-4!) USER MOD Single : B 49 SER OG : rot 180:sc= 0 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 ASN : amide:sc= 0.743 K(o=0.74,f=-6.4!) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 66 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : B 67 MET CE :methyl -167:sc= -1.83 (180deg=-2.03!) USER MOD Single : B 69 SER OG : rot 77:sc= 0.498 USER MOD Single : B 70 GLN : amide:sc= -3.04! K(o=-3!,f=-0.94) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 LYS NZ :NH3+ -168:sc= -0.0219 (180deg=-0.188) USER MOD Single : B 81 GLN : amide:sc=-0.00125 K(o=-0.0013,f=-2.3!) USER MOD Single : B 83 ASN : amide:sc= -0.254 K(o=-0.25,f=-0.95) USER MOD Single : B 84 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 88 THR OG1 : rot 2:sc= 0.499 USER MOD Single : B 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 92 LYS NZ :NH3+ -134:sc= 0.873 (180deg=0.0112) USER MOD Single : B 98 GLN : amide:sc= -2.17! C(o=-2.2!,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.906 -2.153 -15.465 1.00 21.41 N ATOM 2 CA GLY A 1 -0.009 -3.218 -15.027 1.00 1.34 C ATOM 3 C GLY A 1 0.726 -4.523 -14.805 1.00 53.43 C ATOM 4 O GLY A 1 1.764 -4.765 -15.440 1.00 41.21 O ATOM 0 H1 GLY A 1 0.450 -1.228 -15.333 1.00 21.41 H new ATOM 0 H2 GLY A 1 1.779 -2.192 -14.902 1.00 21.41 H new ATOM 0 H3 GLY A 1 1.136 -2.285 -16.471 1.00 21.41 H new ATOM 0 HA2 GLY A 1 -0.505 -2.917 -14.104 1.00 1.34 H new ATOM 0 HA3 GLY A 1 -0.788 -3.361 -15.776 1.00 1.34 H new ATOM 10 N SER A 2 0.198 -5.343 -13.875 1.00 64.02 N ATOM 11 CA SER A 2 0.758 -6.653 -13.518 1.00 11.34 C ATOM 12 C SER A 2 0.688 -7.624 -14.720 1.00 2.33 C ATOM 13 O SER A 2 -0.298 -8.345 -14.895 1.00 4.03 O ATOM 14 CB SER A 2 -0.010 -7.208 -12.297 1.00 1.11 C ATOM 15 OG SER A 2 0.000 -6.297 -11.212 1.00 62.30 O ATOM 0 H SER A 2 -0.641 -5.107 -13.346 1.00 64.02 H new ATOM 0 HA SER A 2 1.810 -6.545 -13.256 1.00 11.34 H new ATOM 0 HB2 SER A 2 -1.040 -7.423 -12.582 1.00 1.11 H new ATOM 0 HB3 SER A 2 0.437 -8.151 -11.984 1.00 1.11 H new ATOM 0 HG SER A 2 -0.748 -5.670 -11.304 1.00 62.30 H new ATOM 21 N MET A 3 1.719 -7.541 -15.583 1.00 41.21 N ATOM 22 CA MET A 3 1.834 -8.352 -16.816 1.00 32.04 C ATOM 23 C MET A 3 3.240 -8.181 -17.440 1.00 2.33 C ATOM 24 O MET A 3 3.452 -8.512 -18.613 1.00 42.51 O ATOM 25 CB MET A 3 0.722 -7.958 -17.841 1.00 4.10 C ATOM 26 CG MET A 3 0.784 -6.502 -18.340 1.00 62.52 C ATOM 27 SD MET A 3 -0.569 -6.073 -19.458 1.00 30.22 S ATOM 28 CE MET A 3 -0.440 -7.340 -20.724 1.00 23.21 C ATOM 0 H MET A 3 2.504 -6.904 -15.445 1.00 41.21 H new ATOM 0 HA MET A 3 1.697 -9.401 -16.555 1.00 32.04 H new ATOM 0 HB2 MET A 3 0.789 -8.624 -18.701 1.00 4.10 H new ATOM 0 HB3 MET A 3 -0.252 -8.128 -17.381 1.00 4.10 H new ATOM 0 HG2 MET A 3 0.765 -5.830 -17.482 1.00 62.52 H new ATOM 0 HG3 MET A 3 1.733 -6.340 -18.850 1.00 62.52 H new ATOM 0 HE1 MET A 3 -1.026 -7.045 -21.595 1.00 23.21 H new ATOM 0 HE2 MET A 3 0.604 -7.460 -21.013 1.00 23.21 H new ATOM 0 HE3 MET A 3 -0.820 -8.284 -20.334 1.00 23.21 H new ATOM 38 N GLN A 4 4.212 -7.702 -16.636 1.00 70.44 N ATOM 39 CA GLN A 4 5.556 -7.304 -17.124 1.00 55.34 C ATOM 40 C GLN A 4 6.677 -7.998 -16.324 1.00 22.23 C ATOM 41 O GLN A 4 6.481 -8.409 -15.173 1.00 65.30 O ATOM 42 CB GLN A 4 5.732 -5.756 -17.025 1.00 42.34 C ATOM 43 CG GLN A 4 4.748 -4.934 -17.893 1.00 43.24 C ATOM 44 CD GLN A 4 4.887 -3.414 -17.713 1.00 45.31 C ATOM 45 OE1 GLN A 4 5.267 -2.928 -16.649 1.00 54.24 O ATOM 46 NE2 GLN A 4 4.563 -2.647 -18.746 1.00 10.10 N ATOM 0 H GLN A 4 4.091 -7.579 -15.631 1.00 70.44 H new ATOM 0 HA GLN A 4 5.631 -7.617 -18.165 1.00 55.34 H new ATOM 0 HB2 GLN A 4 5.613 -5.457 -15.984 1.00 42.34 H new ATOM 0 HB3 GLN A 4 6.751 -5.501 -17.316 1.00 42.34 H new ATOM 0 HG2 GLN A 4 4.908 -5.183 -18.942 1.00 43.24 H new ATOM 0 HG3 GLN A 4 3.728 -5.228 -17.647 1.00 43.24 H new ATOM 0 HE21 GLN A 4 4.250 -3.072 -19.619 1.00 10.10 H new ATOM 0 HE22 GLN A 4 4.627 -1.632 -18.667 1.00 10.10 H new ATOM 55 N ASN A 5 7.850 -8.121 -16.971 1.00 50.52 N ATOM 56 CA ASN A 5 9.111 -8.546 -16.332 1.00 53.11 C ATOM 57 C ASN A 5 9.950 -7.293 -16.025 1.00 51.34 C ATOM 58 O ASN A 5 10.400 -6.606 -16.952 1.00 74.21 O ATOM 59 CB ASN A 5 9.903 -9.512 -17.260 1.00 72.12 C ATOM 60 CG ASN A 5 9.174 -10.829 -17.521 1.00 10.21 C ATOM 61 OD1 ASN A 5 8.453 -11.340 -16.663 1.00 4.31 O ATOM 62 ND2 ASN A 5 9.354 -11.394 -18.705 1.00 25.11 N ATOM 0 H ASN A 5 7.951 -7.925 -17.967 1.00 50.52 H new ATOM 0 HA ASN A 5 8.889 -9.081 -15.409 1.00 53.11 H new ATOM 0 HB2 ASN A 5 10.095 -9.016 -18.211 1.00 72.12 H new ATOM 0 HB3 ASN A 5 10.873 -9.724 -16.810 1.00 72.12 H new ATOM 0 HD21 ASN A 5 8.890 -12.275 -18.926 1.00 25.11 H new ATOM 0 HD22 ASN A 5 9.957 -10.948 -19.396 1.00 25.11 H new ATOM 69 N THR A 6 10.137 -6.994 -14.731 1.00 35.41 N ATOM 70 CA THR A 6 10.822 -5.768 -14.269 1.00 22.54 C ATOM 71 C THR A 6 11.917 -6.103 -13.246 1.00 30.34 C ATOM 72 O THR A 6 11.858 -7.146 -12.578 1.00 33.32 O ATOM 73 CB THR A 6 9.789 -4.759 -13.657 1.00 2.11 C ATOM 74 OG1 THR A 6 10.420 -3.499 -13.375 1.00 2.15 O ATOM 75 CG2 THR A 6 9.104 -5.292 -12.379 1.00 15.15 C ATOM 0 H THR A 6 9.818 -7.594 -13.970 1.00 35.41 H new ATOM 0 HA THR A 6 11.296 -5.300 -15.132 1.00 22.54 H new ATOM 0 HB THR A 6 9.012 -4.626 -14.409 1.00 2.11 H new ATOM 0 HG1 THR A 6 10.578 -3.421 -12.411 1.00 2.15 H new ATOM 0 HG21 THR A 6 8.401 -4.547 -12.005 1.00 15.15 H new ATOM 0 HG22 THR A 6 8.568 -6.213 -12.610 1.00 15.15 H new ATOM 0 HG23 THR A 6 9.859 -5.493 -11.618 1.00 15.15 H new ATOM 83 N THR A 7 12.917 -5.210 -13.130 1.00 43.13 N ATOM 84 CA THR A 7 14.061 -5.382 -12.215 1.00 12.31 C ATOM 85 C THR A 7 14.588 -4.007 -11.754 1.00 51.51 C ATOM 86 O THR A 7 15.026 -3.866 -10.610 1.00 70.22 O ATOM 87 CB THR A 7 15.219 -6.213 -12.880 1.00 44.42 C ATOM 88 OG1 THR A 7 14.713 -7.482 -13.326 1.00 64.13 O ATOM 89 CG2 THR A 7 16.404 -6.460 -11.917 1.00 70.40 C ATOM 0 H THR A 7 12.955 -4.346 -13.670 1.00 43.13 H new ATOM 0 HA THR A 7 13.709 -5.941 -11.348 1.00 12.31 H new ATOM 0 HB THR A 7 15.587 -5.625 -13.720 1.00 44.42 H new ATOM 0 HG1 THR A 7 15.437 -7.995 -13.741 1.00 64.13 H new ATOM 0 HG21 THR A 7 17.174 -7.038 -12.428 1.00 70.40 H new ATOM 0 HG22 THR A 7 16.819 -5.504 -11.598 1.00 70.40 H new ATOM 0 HG23 THR A 7 16.055 -7.013 -11.045 1.00 70.40 H new ATOM 97 N HIS A 8 14.554 -2.997 -12.655 1.00 74.45 N ATOM 98 CA HIS A 8 14.952 -1.604 -12.315 1.00 54.14 C ATOM 99 C HIS A 8 14.027 -0.573 -13.003 1.00 33.01 C ATOM 100 O HIS A 8 14.172 0.628 -12.768 1.00 31.21 O ATOM 101 CB HIS A 8 16.448 -1.336 -12.682 1.00 34.23 C ATOM 102 CG HIS A 8 16.708 -1.063 -14.145 1.00 1.44 C ATOM 103 ND1 HIS A 8 16.861 -2.056 -15.086 1.00 23.14 N ATOM 104 CD2 HIS A 8 16.859 0.107 -14.822 1.00 35.20 C ATOM 105 CE1 HIS A 8 17.079 -1.514 -16.269 1.00 2.53 C ATOM 106 NE2 HIS A 8 17.083 -0.204 -16.133 1.00 42.24 N ATOM 0 H HIS A 8 14.256 -3.117 -13.623 1.00 74.45 H new ATOM 0 HA HIS A 8 14.844 -1.488 -11.237 1.00 54.14 H new ATOM 0 HB2 HIS A 8 16.802 -0.485 -12.101 1.00 34.23 H new ATOM 0 HB3 HIS A 8 17.041 -2.198 -12.378 1.00 34.23 H new ATOM 0 HD2 HIS A 8 16.811 1.100 -14.400 1.00 35.20 H new ATOM 0 HE1 HIS A 8 17.229 -2.053 -17.193 1.00 2.53 H new ATOM 0 HE2 HIS A 8 17.230 0.469 -16.885 1.00 42.24 H new ATOM 115 N ASP A 9 13.107 -1.057 -13.870 1.00 4.52 N ATOM 116 CA ASP A 9 12.105 -0.212 -14.569 1.00 4.24 C ATOM 117 C ASP A 9 11.195 0.485 -13.548 1.00 53.14 C ATOM 118 O ASP A 9 10.882 1.681 -13.669 1.00 74.43 O ATOM 119 CB ASP A 9 11.273 -1.084 -15.544 1.00 22.02 C ATOM 120 CG ASP A 9 10.150 -0.306 -16.246 1.00 70.15 C ATOM 121 OD1 ASP A 9 10.428 0.380 -17.250 1.00 20.30 O ATOM 122 OD2 ASP A 9 8.985 -0.378 -15.799 1.00 11.02 O ATOM 0 H ASP A 9 13.037 -2.047 -14.106 1.00 4.52 H new ATOM 0 HA ASP A 9 12.621 0.557 -15.144 1.00 4.24 H new ATOM 0 HB2 ASP A 9 11.937 -1.509 -16.297 1.00 22.02 H new ATOM 0 HB3 ASP A 9 10.839 -1.919 -14.994 1.00 22.02 H new ATOM 127 N ASN A 10 10.790 -0.293 -12.543 1.00 2.12 N ATOM 128 CA ASN A 10 10.130 0.225 -11.345 1.00 1.14 C ATOM 129 C ASN A 10 11.205 0.823 -10.412 1.00 74.31 C ATOM 130 O ASN A 10 12.344 0.343 -10.370 1.00 52.44 O ATOM 131 CB ASN A 10 9.341 -0.903 -10.608 1.00 33.45 C ATOM 132 CG ASN A 10 10.219 -2.089 -10.148 1.00 42.53 C ATOM 133 OD1 ASN A 10 11.187 -2.471 -10.808 1.00 50.01 O ATOM 134 ND2 ASN A 10 9.900 -2.677 -9.010 1.00 75.11 N ATOM 0 H ASN A 10 10.912 -1.306 -12.538 1.00 2.12 H new ATOM 0 HA ASN A 10 9.413 0.994 -11.632 1.00 1.14 H new ATOM 0 HB2 ASN A 10 8.843 -0.475 -9.738 1.00 33.45 H new ATOM 0 HB3 ASN A 10 8.560 -1.278 -11.270 1.00 33.45 H new ATOM 0 HD21 ASN A 10 10.458 -3.459 -8.666 1.00 75.11 H new ATOM 0 HD22 ASN A 10 9.096 -2.350 -8.475 1.00 75.11 H new ATOM 141 N VAL A 11 10.832 1.866 -9.675 1.00 71.12 N ATOM 142 CA VAL A 11 11.725 2.543 -8.723 1.00 74.00 C ATOM 143 C VAL A 11 11.140 2.344 -7.334 1.00 2.21 C ATOM 144 O VAL A 11 9.921 2.240 -7.190 1.00 73.21 O ATOM 145 CB VAL A 11 11.933 4.083 -9.038 1.00 51.32 C ATOM 146 CG1 VAL A 11 12.402 4.277 -10.498 1.00 72.53 C ATOM 147 CG2 VAL A 11 10.676 4.940 -8.732 1.00 54.22 C ATOM 0 H VAL A 11 9.897 2.272 -9.718 1.00 71.12 H new ATOM 0 HA VAL A 11 12.720 2.104 -8.801 1.00 74.00 H new ATOM 0 HB VAL A 11 12.713 4.442 -8.367 1.00 51.32 H new ATOM 0 HG11 VAL A 11 12.540 5.340 -10.698 1.00 72.53 H new ATOM 0 HG12 VAL A 11 13.346 3.754 -10.649 1.00 72.53 H new ATOM 0 HG13 VAL A 11 11.651 3.875 -11.178 1.00 72.53 H new ATOM 0 HG21 VAL A 11 10.881 5.984 -8.968 1.00 54.22 H new ATOM 0 HG22 VAL A 11 9.840 4.589 -9.337 1.00 54.22 H new ATOM 0 HG23 VAL A 11 10.423 4.850 -7.676 1.00 54.22 H new ATOM 157 N ILE A 12 12.014 2.254 -6.339 1.00 51.33 N ATOM 158 CA ILE A 12 11.641 1.969 -4.953 1.00 65.53 C ATOM 159 C ILE A 12 11.651 3.280 -4.155 1.00 44.14 C ATOM 160 O ILE A 12 12.706 3.735 -3.700 1.00 45.33 O ATOM 161 CB ILE A 12 12.647 0.933 -4.327 1.00 14.14 C ATOM 162 CG1 ILE A 12 12.766 -0.339 -5.202 1.00 21.40 C ATOM 163 CG2 ILE A 12 12.263 0.543 -2.896 1.00 13.25 C ATOM 164 CD1 ILE A 12 11.518 -1.189 -5.320 1.00 44.25 C ATOM 0 H ILE A 12 13.018 2.378 -6.471 1.00 51.33 H new ATOM 0 HA ILE A 12 10.642 1.535 -4.920 1.00 65.53 H new ATOM 0 HB ILE A 12 13.616 1.431 -4.293 1.00 14.14 H new ATOM 0 HG12 ILE A 12 13.071 -0.038 -6.204 1.00 21.40 H new ATOM 0 HG13 ILE A 12 13.566 -0.959 -4.798 1.00 21.40 H new ATOM 0 HG21 ILE A 12 12.987 -0.173 -2.507 1.00 13.25 H new ATOM 0 HG22 ILE A 12 12.258 1.432 -2.265 1.00 13.25 H new ATOM 0 HG23 ILE A 12 11.271 0.092 -2.896 1.00 13.25 H new ATOM 0 HD11 ILE A 12 11.723 -2.050 -5.956 1.00 44.25 H new ATOM 0 HD12 ILE A 12 11.217 -1.532 -4.330 1.00 44.25 H new ATOM 0 HD13 ILE A 12 10.715 -0.597 -5.759 1.00 44.25 H new ATOM 176 N LEU A 13 10.479 3.906 -4.016 1.00 15.44 N ATOM 177 CA LEU A 13 10.357 5.171 -3.286 1.00 23.42 C ATOM 178 C LEU A 13 10.144 4.873 -1.812 1.00 62.04 C ATOM 179 O LEU A 13 9.033 4.580 -1.368 1.00 54.01 O ATOM 180 CB LEU A 13 9.225 6.044 -3.853 1.00 12.01 C ATOM 181 CG LEU A 13 9.416 6.479 -5.332 1.00 11.15 C ATOM 182 CD1 LEU A 13 8.277 7.392 -5.772 1.00 74.15 C ATOM 183 CD2 LEU A 13 10.792 7.154 -5.562 1.00 35.25 C ATOM 0 H LEU A 13 9.601 3.557 -4.400 1.00 15.44 H new ATOM 0 HA LEU A 13 11.278 5.742 -3.406 1.00 23.42 H new ATOM 0 HB2 LEU A 13 8.286 5.497 -3.768 1.00 12.01 H new ATOM 0 HB3 LEU A 13 9.130 6.937 -3.236 1.00 12.01 H new ATOM 0 HG LEU A 13 9.395 5.579 -5.947 1.00 11.15 H new ATOM 0 HD11 LEU A 13 8.427 7.687 -6.811 1.00 74.15 H new ATOM 0 HD12 LEU A 13 7.329 6.862 -5.679 1.00 74.15 H new ATOM 0 HD13 LEU A 13 8.259 8.281 -5.142 1.00 74.15 H new ATOM 0 HD21 LEU A 13 10.885 7.443 -6.609 1.00 35.25 H new ATOM 0 HD22 LEU A 13 10.872 8.040 -4.932 1.00 35.25 H new ATOM 0 HD23 LEU A 13 11.588 6.454 -5.307 1.00 35.25 H new ATOM 195 N GLU A 14 11.253 4.918 -1.087 1.00 24.53 N ATOM 196 CA GLU A 14 11.320 4.597 0.325 1.00 62.01 C ATOM 197 C GLU A 14 11.018 5.848 1.156 1.00 62.13 C ATOM 198 O GLU A 14 11.907 6.646 1.459 1.00 61.24 O ATOM 199 CB GLU A 14 12.736 4.046 0.629 1.00 35.04 C ATOM 200 CG GLU A 14 12.976 3.652 2.091 1.00 62.10 C ATOM 201 CD GLU A 14 14.428 3.270 2.383 1.00 13.42 C ATOM 202 OE1 GLU A 14 14.807 2.104 2.137 1.00 5.21 O ATOM 203 OE2 GLU A 14 15.202 4.137 2.854 1.00 61.32 O ATOM 0 H GLU A 14 12.155 5.187 -1.480 1.00 24.53 H new ATOM 0 HA GLU A 14 10.578 3.842 0.585 1.00 62.01 H new ATOM 0 HB2 GLU A 14 12.913 3.174 -0.001 1.00 35.04 H new ATOM 0 HB3 GLU A 14 13.471 4.799 0.346 1.00 35.04 H new ATOM 0 HG2 GLU A 14 12.689 4.483 2.736 1.00 62.10 H new ATOM 0 HG3 GLU A 14 12.328 2.813 2.345 1.00 62.10 H new ATOM 210 N LEU A 15 9.741 6.044 1.479 1.00 63.32 N ATOM 211 CA LEU A 15 9.305 7.171 2.309 1.00 71.55 C ATOM 212 C LEU A 15 8.816 6.665 3.674 1.00 24.43 C ATOM 213 O LEU A 15 8.066 5.688 3.772 1.00 2.54 O ATOM 214 CB LEU A 15 8.262 8.052 1.543 1.00 4.33 C ATOM 215 CG LEU A 15 7.146 7.313 0.721 1.00 11.43 C ATOM 216 CD1 LEU A 15 5.972 6.843 1.601 1.00 43.31 C ATOM 217 CD2 LEU A 15 6.646 8.188 -0.445 1.00 74.43 C ATOM 0 H LEU A 15 8.983 5.433 1.177 1.00 63.32 H new ATOM 0 HA LEU A 15 10.150 7.829 2.514 1.00 71.55 H new ATOM 0 HB2 LEU A 15 7.770 8.698 2.270 1.00 4.33 H new ATOM 0 HB3 LEU A 15 8.809 8.700 0.859 1.00 4.33 H new ATOM 0 HG LEU A 15 7.606 6.416 0.307 1.00 11.43 H new ATOM 0 HD11 LEU A 15 5.231 6.339 0.980 1.00 43.31 H new ATOM 0 HD12 LEU A 15 6.340 6.152 2.360 1.00 43.31 H new ATOM 0 HD13 LEU A 15 5.513 7.705 2.086 1.00 43.31 H new ATOM 0 HD21 LEU A 15 5.874 7.652 -0.997 1.00 74.43 H new ATOM 0 HD22 LEU A 15 6.232 9.117 -0.052 1.00 74.43 H new ATOM 0 HD23 LEU A 15 7.478 8.415 -1.112 1.00 74.43 H new ATOM 229 N THR A 16 9.333 7.305 4.725 1.00 71.33 N ATOM 230 CA THR A 16 8.967 7.036 6.105 1.00 74.10 C ATOM 231 C THR A 16 7.793 7.941 6.475 1.00 62.31 C ATOM 232 O THR A 16 7.946 9.160 6.489 1.00 22.24 O ATOM 233 CB THR A 16 10.174 7.329 7.051 1.00 64.44 C ATOM 234 OG1 THR A 16 11.327 6.578 6.634 1.00 12.30 O ATOM 235 CG2 THR A 16 9.852 7.000 8.510 1.00 30.15 C ATOM 0 H THR A 16 10.033 8.041 4.631 1.00 71.33 H new ATOM 0 HA THR A 16 8.688 5.988 6.216 1.00 74.10 H new ATOM 0 HB THR A 16 10.384 8.397 6.984 1.00 64.44 H new ATOM 0 HG1 THR A 16 12.078 6.771 7.234 1.00 12.30 H new ATOM 0 HG21 THR A 16 10.720 7.219 9.132 1.00 30.15 H new ATOM 0 HG22 THR A 16 9.006 7.603 8.841 1.00 30.15 H new ATOM 0 HG23 THR A 16 9.600 5.943 8.598 1.00 30.15 H new ATOM 243 N VAL A 17 6.619 7.353 6.720 1.00 45.34 N ATOM 244 CA VAL A 17 5.436 8.087 7.178 1.00 74.45 C ATOM 245 C VAL A 17 5.122 7.688 8.621 1.00 71.01 C ATOM 246 O VAL A 17 5.376 6.564 9.019 1.00 1.44 O ATOM 247 CB VAL A 17 4.177 7.829 6.257 1.00 2.51 C ATOM 248 CG1 VAL A 17 4.562 7.877 4.764 1.00 25.22 C ATOM 249 CG2 VAL A 17 3.436 6.515 6.614 1.00 73.02 C ATOM 0 H VAL A 17 6.462 6.352 6.606 1.00 45.34 H new ATOM 0 HA VAL A 17 5.660 9.152 7.122 1.00 74.45 H new ATOM 0 HB VAL A 17 3.473 8.639 6.449 1.00 2.51 H new ATOM 0 HG11 VAL A 17 3.677 7.696 4.154 1.00 25.22 H new ATOM 0 HG12 VAL A 17 4.973 8.858 4.526 1.00 25.22 H new ATOM 0 HG13 VAL A 17 5.309 7.111 4.556 1.00 25.22 H new ATOM 0 HG21 VAL A 17 2.580 6.388 5.951 1.00 73.02 H new ATOM 0 HG22 VAL A 17 4.115 5.671 6.496 1.00 73.02 H new ATOM 0 HG23 VAL A 17 3.091 6.561 7.647 1.00 73.02 H new ATOM 259 N ARG A 18 4.602 8.616 9.400 1.00 24.41 N ATOM 260 CA ARG A 18 3.953 8.292 10.683 1.00 52.54 C ATOM 261 C ARG A 18 2.476 8.043 10.387 1.00 52.12 C ATOM 262 O ARG A 18 1.984 8.540 9.367 1.00 35.34 O ATOM 263 CB ARG A 18 4.157 9.445 11.690 1.00 22.31 C ATOM 264 CG ARG A 18 3.649 10.826 11.219 1.00 2.13 C ATOM 265 CD ARG A 18 4.050 11.945 12.187 1.00 10.11 C ATOM 266 NE ARG A 18 3.543 11.700 13.549 1.00 51.51 N ATOM 267 CZ ARG A 18 3.872 12.401 14.640 1.00 23.23 C ATOM 268 NH1 ARG A 18 4.712 13.428 14.565 1.00 71.52 N ATOM 269 NH2 ARG A 18 3.374 12.048 15.814 1.00 64.21 N ATOM 0 H ARG A 18 4.610 9.611 9.176 1.00 24.41 H new ATOM 0 HA ARG A 18 4.390 7.404 11.139 1.00 52.54 H new ATOM 0 HB2 ARG A 18 3.651 9.187 12.620 1.00 22.31 H new ATOM 0 HB3 ARG A 18 5.220 9.525 11.917 1.00 22.31 H new ATOM 0 HG2 ARG A 18 4.050 11.042 10.229 1.00 2.13 H new ATOM 0 HG3 ARG A 18 2.563 10.800 11.124 1.00 2.13 H new ATOM 0 HD2 ARG A 18 5.136 12.030 12.214 1.00 10.11 H new ATOM 0 HD3 ARG A 18 3.664 12.897 11.822 1.00 10.11 H new ATOM 0 HE ARG A 18 2.885 10.930 13.670 1.00 51.51 H new ATOM 0 HH11 ARG A 18 5.116 13.692 13.666 1.00 71.52 H new ATOM 0 HH12 ARG A 18 4.953 13.952 15.406 1.00 71.52 H new ATOM 0 HH21 ARG A 18 2.745 11.248 15.881 1.00 64.21 H new ATOM 0 HH22 ARG A 18 3.619 12.576 16.652 1.00 64.21 H new ATOM 283 N ASN A 19 1.771 7.259 11.230 1.00 40.03 N ATOM 284 CA ASN A 19 0.348 6.930 10.983 1.00 45.10 C ATOM 285 C ASN A 19 -0.568 8.140 11.290 1.00 14.11 C ATOM 286 O ASN A 19 -1.194 8.231 12.352 1.00 3.20 O ATOM 287 CB ASN A 19 -0.097 5.643 11.749 1.00 72.01 C ATOM 288 CG ASN A 19 0.564 4.359 11.214 1.00 35.11 C ATOM 289 OD1 ASN A 19 1.720 4.369 10.792 1.00 61.14 O ATOM 290 ND2 ASN A 19 -0.178 3.254 11.188 1.00 41.01 N ATOM 0 H ASN A 19 2.157 6.845 12.079 1.00 40.03 H new ATOM 0 HA ASN A 19 0.243 6.707 9.921 1.00 45.10 H new ATOM 0 HB2 ASN A 19 0.145 5.755 12.806 1.00 72.01 H new ATOM 0 HB3 ASN A 19 -1.180 5.543 11.679 1.00 72.01 H new ATOM 0 HD21 ASN A 19 0.209 2.388 10.812 1.00 41.01 H new ATOM 0 HD22 ASN A 19 -1.134 3.273 11.544 1.00 41.01 H new ATOM 297 N HIS A 20 -0.559 9.095 10.344 1.00 44.45 N ATOM 298 CA HIS A 20 -1.488 10.229 10.271 1.00 31.52 C ATOM 299 C HIS A 20 -2.731 9.750 9.505 1.00 21.12 C ATOM 300 O HIS A 20 -2.593 8.889 8.623 1.00 73.53 O ATOM 301 CB HIS A 20 -0.777 11.424 9.544 1.00 14.43 C ATOM 302 CG HIS A 20 -1.657 12.586 9.122 1.00 63.52 C ATOM 303 ND1 HIS A 20 -1.821 13.732 9.874 1.00 20.44 N ATOM 304 CD2 HIS A 20 -2.402 12.783 8.001 1.00 63.22 C ATOM 305 CE1 HIS A 20 -2.627 14.564 9.236 1.00 74.11 C ATOM 306 NE2 HIS A 20 -2.987 14.011 8.102 1.00 52.32 N ATOM 0 H HIS A 20 0.121 9.096 9.584 1.00 44.45 H new ATOM 0 HA HIS A 20 -1.788 10.579 11.259 1.00 31.52 H new ATOM 0 HB2 HIS A 20 0.001 11.809 10.203 1.00 14.43 H new ATOM 0 HB3 HIS A 20 -0.279 11.034 8.656 1.00 14.43 H new ATOM 0 HD2 HIS A 20 -2.511 12.091 7.179 1.00 63.22 H new ATOM 0 HE1 HIS A 20 -2.937 15.536 9.589 1.00 74.11 H new ATOM 0 HE2 HIS A 20 -3.605 14.432 7.408 1.00 52.32 H new ATOM 315 N PRO A 21 -3.961 10.250 9.857 1.00 61.11 N ATOM 316 CA PRO A 21 -5.199 9.929 9.111 1.00 22.32 C ATOM 317 C PRO A 21 -5.052 10.036 7.570 1.00 54.55 C ATOM 318 O PRO A 21 -5.002 11.135 7.010 1.00 2.04 O ATOM 319 CB PRO A 21 -6.209 10.962 9.662 1.00 41.05 C ATOM 320 CG PRO A 21 -5.772 11.189 11.081 1.00 2.13 C ATOM 321 CD PRO A 21 -4.255 11.119 11.049 1.00 24.23 C ATOM 0 HA PRO A 21 -5.501 8.892 9.256 1.00 22.32 H new ATOM 0 HB2 PRO A 21 -6.186 11.887 9.086 1.00 41.05 H new ATOM 0 HB3 PRO A 21 -7.230 10.583 9.616 1.00 41.05 H new ATOM 0 HG2 PRO A 21 -6.113 12.157 11.448 1.00 2.13 H new ATOM 0 HG3 PRO A 21 -6.187 10.432 11.746 1.00 2.13 H new ATOM 0 HD2 PRO A 21 -3.811 12.109 10.942 1.00 24.23 H new ATOM 0 HD3 PRO A 21 -3.855 10.688 11.967 1.00 24.23 H new ATOM 329 N GLY A 22 -4.888 8.867 6.924 1.00 72.32 N ATOM 330 CA GLY A 22 -4.937 8.742 5.466 1.00 24.33 C ATOM 331 C GLY A 22 -3.597 8.870 4.754 1.00 53.00 C ATOM 332 O GLY A 22 -3.587 9.212 3.576 1.00 51.14 O ATOM 0 H GLY A 22 -4.718 7.984 7.405 1.00 72.32 H new ATOM 0 HA2 GLY A 22 -5.371 7.774 5.216 1.00 24.33 H new ATOM 0 HA3 GLY A 22 -5.611 9.504 5.075 1.00 24.33 H new ATOM 336 N VAL A 23 -2.466 8.565 5.430 1.00 42.24 N ATOM 337 CA VAL A 23 -1.115 8.621 4.787 1.00 54.24 C ATOM 338 C VAL A 23 -1.025 7.715 3.538 1.00 70.33 C ATOM 339 O VAL A 23 -0.397 8.077 2.535 1.00 33.23 O ATOM 340 CB VAL A 23 0.054 8.257 5.782 1.00 41.33 C ATOM 341 CG1 VAL A 23 0.180 9.311 6.871 1.00 15.34 C ATOM 342 CG2 VAL A 23 -0.118 6.858 6.415 1.00 42.33 C ATOM 0 H VAL A 23 -2.451 8.280 6.409 1.00 42.24 H new ATOM 0 HA VAL A 23 -0.990 9.660 4.481 1.00 54.24 H new ATOM 0 HB VAL A 23 0.970 8.235 5.192 1.00 41.33 H new ATOM 0 HG11 VAL A 23 0.992 9.041 7.546 1.00 15.34 H new ATOM 0 HG12 VAL A 23 0.392 10.279 6.417 1.00 15.34 H new ATOM 0 HG13 VAL A 23 -0.754 9.369 7.431 1.00 15.34 H new ATOM 0 HG21 VAL A 23 0.714 6.660 7.091 1.00 42.33 H new ATOM 0 HG22 VAL A 23 -1.054 6.823 6.972 1.00 42.33 H new ATOM 0 HG23 VAL A 23 -0.135 6.103 5.629 1.00 42.33 H new ATOM 352 N MET A 24 -1.688 6.555 3.615 1.00 73.12 N ATOM 353 CA MET A 24 -1.769 5.597 2.509 1.00 43.11 C ATOM 354 C MET A 24 -2.619 6.165 1.352 1.00 32.14 C ATOM 355 O MET A 24 -2.308 5.942 0.186 1.00 21.04 O ATOM 356 CB MET A 24 -2.323 4.232 3.011 1.00 4.24 C ATOM 357 CG MET A 24 -3.726 4.263 3.663 1.00 53.23 C ATOM 358 SD MET A 24 -3.788 5.155 5.234 1.00 51.23 S ATOM 359 CE MET A 24 -2.603 4.230 6.211 1.00 75.02 C ATOM 0 H MET A 24 -2.186 6.254 4.453 1.00 73.12 H new ATOM 0 HA MET A 24 -0.764 5.426 2.122 1.00 43.11 H new ATOM 0 HB2 MET A 24 -2.352 3.543 2.167 1.00 4.24 H new ATOM 0 HB3 MET A 24 -1.618 3.821 3.734 1.00 4.24 H new ATOM 0 HG2 MET A 24 -4.428 4.723 2.968 1.00 53.23 H new ATOM 0 HG3 MET A 24 -4.063 3.239 3.825 1.00 53.23 H new ATOM 0 HE1 MET A 24 -2.699 4.510 7.260 1.00 75.02 H new ATOM 0 HE2 MET A 24 -2.795 3.163 6.101 1.00 75.02 H new ATOM 0 HE3 MET A 24 -1.593 4.455 5.867 1.00 75.02 H new ATOM 369 N THR A 25 -3.662 6.939 1.691 1.00 14.42 N ATOM 370 CA THR A 25 -4.552 7.573 0.703 1.00 32.21 C ATOM 371 C THR A 25 -3.844 8.769 0.020 1.00 23.22 C ATOM 372 O THR A 25 -4.115 9.085 -1.145 1.00 11.44 O ATOM 373 CB THR A 25 -5.877 8.031 1.393 1.00 24.12 C ATOM 374 OG1 THR A 25 -6.333 6.995 2.284 1.00 72.44 O ATOM 375 CG2 THR A 25 -6.996 8.342 0.376 1.00 33.02 C ATOM 0 H THR A 25 -3.913 7.144 2.658 1.00 14.42 H new ATOM 0 HA THR A 25 -4.797 6.843 -0.068 1.00 32.21 H new ATOM 0 HB THR A 25 -5.658 8.949 1.938 1.00 24.12 H new ATOM 0 HG1 THR A 25 -6.225 7.291 3.212 1.00 72.44 H new ATOM 0 HG21 THR A 25 -7.894 8.656 0.908 1.00 33.02 H new ATOM 0 HG22 THR A 25 -6.671 9.142 -0.290 1.00 33.02 H new ATOM 0 HG23 THR A 25 -7.214 7.449 -0.209 1.00 33.02 H new ATOM 383 N HIS A 26 -2.918 9.407 0.769 1.00 73.13 N ATOM 384 CA HIS A 26 -2.140 10.563 0.289 1.00 45.11 C ATOM 385 C HIS A 26 -1.072 10.118 -0.717 1.00 52.23 C ATOM 386 O HIS A 26 -0.978 10.707 -1.797 1.00 75.33 O ATOM 387 CB HIS A 26 -1.511 11.349 1.479 1.00 65.14 C ATOM 388 CG HIS A 26 -2.513 12.155 2.285 1.00 63.00 C ATOM 389 ND1 HIS A 26 -2.193 13.327 2.938 1.00 23.33 N ATOM 390 CD2 HIS A 26 -3.828 11.943 2.557 1.00 31.53 C ATOM 391 CE1 HIS A 26 -3.263 13.790 3.552 1.00 53.34 C ATOM 392 NE2 HIS A 26 -4.259 12.976 3.333 1.00 54.25 N ATOM 0 H HIS A 26 -2.691 9.132 1.725 1.00 73.13 H new ATOM 0 HA HIS A 26 -2.820 11.241 -0.226 1.00 45.11 H new ATOM 0 HB2 HIS A 26 -1.010 10.644 2.142 1.00 65.14 H new ATOM 0 HB3 HIS A 26 -0.746 12.022 1.092 1.00 65.14 H new ATOM 0 HD1 HIS A 26 -1.273 13.766 2.945 1.00 23.33 H new ATOM 0 HD2 HIS A 26 -4.423 11.107 2.219 1.00 31.53 H new ATOM 0 HE1 HIS A 26 -3.308 14.695 4.140 1.00 53.34 H new ATOM 401 N VAL A 27 -0.292 9.053 -0.385 1.00 31.04 N ATOM 402 CA VAL A 27 0.746 8.523 -1.305 1.00 63.34 C ATOM 403 C VAL A 27 0.094 8.053 -2.623 1.00 65.34 C ATOM 404 O VAL A 27 0.464 8.516 -3.715 1.00 73.34 O ATOM 405 CB VAL A 27 1.654 7.385 -0.651 1.00 63.31 C ATOM 406 CG1 VAL A 27 2.384 7.911 0.610 1.00 3.04 C ATOM 407 CG2 VAL A 27 0.874 6.098 -0.309 1.00 64.03 C ATOM 0 H VAL A 27 -0.362 8.552 0.501 1.00 31.04 H new ATOM 0 HA VAL A 27 1.431 9.342 -1.523 1.00 63.34 H new ATOM 0 HB VAL A 27 2.387 7.119 -1.412 1.00 63.31 H new ATOM 0 HG11 VAL A 27 2.995 7.115 1.035 1.00 3.04 H new ATOM 0 HG12 VAL A 27 3.022 8.752 0.337 1.00 3.04 H new ATOM 0 HG13 VAL A 27 1.649 8.237 1.346 1.00 3.04 H new ATOM 0 HG21 VAL A 27 1.552 5.368 0.132 1.00 64.03 H new ATOM 0 HG22 VAL A 27 0.081 6.331 0.401 1.00 64.03 H new ATOM 0 HG23 VAL A 27 0.437 5.685 -1.218 1.00 64.03 H new ATOM 417 N CYS A 28 -0.967 7.238 -2.483 1.00 70.44 N ATOM 418 CA CYS A 28 -1.730 6.694 -3.607 1.00 72.15 C ATOM 419 C CYS A 28 -2.391 7.812 -4.439 1.00 74.31 C ATOM 420 O CYS A 28 -2.570 7.659 -5.650 1.00 3.22 O ATOM 421 CB CYS A 28 -2.778 5.710 -3.062 1.00 15.33 C ATOM 422 SG CYS A 28 -2.066 4.284 -2.207 1.00 44.00 S ATOM 0 H CYS A 28 -1.318 6.939 -1.573 1.00 70.44 H new ATOM 0 HA CYS A 28 -1.052 6.168 -4.279 1.00 72.15 H new ATOM 0 HB2 CYS A 28 -3.439 6.240 -2.376 1.00 15.33 H new ATOM 0 HB3 CYS A 28 -3.394 5.356 -3.888 1.00 15.33 H new ATOM 0 HG CYS A 28 -2.009 4.527 -0.931 1.00 44.00 H new ATOM 428 N GLY A 29 -2.729 8.932 -3.766 1.00 0.34 N ATOM 429 CA GLY A 29 -3.295 10.107 -4.416 1.00 64.11 C ATOM 430 C GLY A 29 -2.337 10.746 -5.420 1.00 61.34 C ATOM 431 O GLY A 29 -2.726 11.011 -6.564 1.00 22.25 O ATOM 0 H GLY A 29 -2.613 9.036 -2.758 1.00 0.34 H new ATOM 0 HA2 GLY A 29 -4.216 9.826 -4.927 1.00 64.11 H new ATOM 0 HA3 GLY A 29 -3.563 10.843 -3.658 1.00 64.11 H new ATOM 435 N LEU A 30 -1.068 10.947 -4.995 1.00 13.14 N ATOM 436 CA LEU A 30 -0.026 11.586 -5.832 1.00 41.31 C ATOM 437 C LEU A 30 0.289 10.748 -7.089 1.00 60.24 C ATOM 438 O LEU A 30 0.466 11.304 -8.178 1.00 10.42 O ATOM 439 CB LEU A 30 1.276 11.868 -5.011 1.00 53.24 C ATOM 440 CG LEU A 30 1.312 13.213 -4.198 1.00 32.20 C ATOM 441 CD1 LEU A 30 1.098 14.434 -5.116 1.00 11.03 C ATOM 442 CD2 LEU A 30 0.312 13.226 -3.027 1.00 60.41 C ATOM 0 H LEU A 30 -0.739 10.673 -4.069 1.00 13.14 H new ATOM 0 HA LEU A 30 -0.427 12.544 -6.164 1.00 41.31 H new ATOM 0 HB2 LEU A 30 1.426 11.043 -4.314 1.00 53.24 H new ATOM 0 HB3 LEU A 30 2.122 11.862 -5.699 1.00 53.24 H new ATOM 0 HG LEU A 30 2.310 13.281 -3.765 1.00 32.20 H new ATOM 0 HD11 LEU A 30 1.129 15.347 -4.521 1.00 11.03 H new ATOM 0 HD12 LEU A 30 1.885 14.465 -5.869 1.00 11.03 H new ATOM 0 HD13 LEU A 30 0.128 14.354 -5.608 1.00 11.03 H new ATOM 0 HD21 LEU A 30 0.380 14.178 -2.501 1.00 60.41 H new ATOM 0 HD22 LEU A 30 -0.700 13.095 -3.411 1.00 60.41 H new ATOM 0 HD23 LEU A 30 0.547 12.414 -2.339 1.00 60.41 H new ATOM 454 N PHE A 31 0.342 9.413 -6.929 1.00 14.14 N ATOM 455 CA PHE A 31 0.632 8.492 -8.060 1.00 24.10 C ATOM 456 C PHE A 31 -0.582 8.327 -8.992 1.00 31.32 C ATOM 457 O PHE A 31 -0.416 8.102 -10.198 1.00 30.51 O ATOM 458 CB PHE A 31 1.139 7.130 -7.536 1.00 63.33 C ATOM 459 CG PHE A 31 2.433 7.268 -6.732 1.00 34.41 C ATOM 460 CD1 PHE A 31 3.627 7.624 -7.361 1.00 63.13 C ATOM 461 CD2 PHE A 31 2.448 7.099 -5.349 1.00 3.24 C ATOM 462 CE1 PHE A 31 4.786 7.791 -6.630 1.00 70.41 C ATOM 463 CE2 PHE A 31 3.603 7.276 -4.621 1.00 23.33 C ATOM 464 CZ PHE A 31 4.771 7.621 -5.259 1.00 72.41 C ATOM 0 H PHE A 31 0.190 8.944 -6.036 1.00 14.14 H new ATOM 0 HA PHE A 31 1.426 8.939 -8.658 1.00 24.10 H new ATOM 0 HB2 PHE A 31 0.371 6.674 -6.911 1.00 63.33 H new ATOM 0 HB3 PHE A 31 1.306 6.458 -8.378 1.00 63.33 H new ATOM 0 HD1 PHE A 31 3.644 7.770 -8.431 1.00 63.13 H new ATOM 0 HD2 PHE A 31 1.537 6.824 -4.839 1.00 3.24 H new ATOM 0 HE1 PHE A 31 5.706 8.055 -7.131 1.00 70.41 H new ATOM 0 HE2 PHE A 31 3.592 7.144 -3.549 1.00 23.33 H new ATOM 0 HZ PHE A 31 5.677 7.759 -4.688 1.00 72.41 H new ATOM 474 N ALA A 32 -1.794 8.459 -8.428 1.00 3.22 N ATOM 475 CA ALA A 32 -3.045 8.402 -9.204 1.00 74.40 C ATOM 476 C ALA A 32 -3.150 9.597 -10.172 1.00 62.22 C ATOM 477 O ALA A 32 -3.515 9.436 -11.338 1.00 54.23 O ATOM 478 CB ALA A 32 -4.259 8.348 -8.260 1.00 64.20 C ATOM 0 H ALA A 32 -1.935 8.607 -7.429 1.00 3.22 H new ATOM 0 HA ALA A 32 -3.036 7.491 -9.803 1.00 74.40 H new ATOM 0 HB1 ALA A 32 -5.176 8.306 -8.848 1.00 64.20 H new ATOM 0 HB2 ALA A 32 -4.191 7.461 -7.630 1.00 64.20 H new ATOM 0 HB3 ALA A 32 -4.271 9.239 -7.632 1.00 64.20 H new ATOM 484 N ARG A 33 -2.785 10.794 -9.671 1.00 2.15 N ATOM 485 CA ARG A 33 -2.865 12.053 -10.445 1.00 51.12 C ATOM 486 C ARG A 33 -1.576 12.315 -11.257 1.00 12.21 C ATOM 487 O ARG A 33 -1.491 13.309 -11.987 1.00 42.35 O ATOM 488 CB ARG A 33 -3.155 13.238 -9.488 1.00 11.42 C ATOM 489 CG ARG A 33 -2.011 13.555 -8.498 1.00 61.33 C ATOM 490 CD ARG A 33 -2.367 14.664 -7.492 1.00 61.34 C ATOM 491 NE ARG A 33 -2.713 15.930 -8.165 1.00 73.44 N ATOM 492 CZ ARG A 33 -3.416 16.940 -7.621 1.00 12.20 C ATOM 493 NH1 ARG A 33 -3.866 16.868 -6.369 1.00 72.12 N ATOM 494 NH2 ARG A 33 -3.663 18.022 -8.344 1.00 0.41 N ATOM 0 H ARG A 33 -2.428 10.917 -8.724 1.00 2.15 H new ATOM 0 HA ARG A 33 -3.681 11.956 -11.161 1.00 51.12 H new ATOM 0 HB2 ARG A 33 -3.361 14.128 -10.083 1.00 11.42 H new ATOM 0 HB3 ARG A 33 -4.059 13.018 -8.921 1.00 11.42 H new ATOM 0 HG2 ARG A 33 -1.751 12.648 -7.952 1.00 61.33 H new ATOM 0 HG3 ARG A 33 -1.126 13.854 -9.060 1.00 61.33 H new ATOM 0 HD2 ARG A 33 -3.206 14.339 -6.877 1.00 61.34 H new ATOM 0 HD3 ARG A 33 -1.524 14.829 -6.821 1.00 61.34 H new ATOM 0 HE ARG A 33 -2.392 16.050 -9.126 1.00 73.44 H new ATOM 0 HH11 ARG A 33 -3.679 16.038 -5.807 1.00 72.12 H new ATOM 0 HH12 ARG A 33 -4.397 17.643 -5.973 1.00 72.12 H new ATOM 0 HH21 ARG A 33 -3.321 18.083 -9.303 1.00 0.41 H new ATOM 0 HH22 ARG A 33 -4.195 18.794 -7.942 1.00 0.41 H new ATOM 508 N ARG A 34 -0.580 11.417 -11.126 1.00 65.20 N ATOM 509 CA ARG A 34 0.720 11.549 -11.805 1.00 61.54 C ATOM 510 C ARG A 34 0.537 11.299 -13.310 1.00 44.33 C ATOM 511 O ARG A 34 0.671 12.218 -14.118 1.00 51.43 O ATOM 512 CB ARG A 34 1.756 10.573 -11.150 1.00 2.01 C ATOM 513 CG ARG A 34 3.227 10.677 -11.650 1.00 24.12 C ATOM 514 CD ARG A 34 3.532 9.809 -12.889 1.00 31.21 C ATOM 515 NE ARG A 34 3.391 8.361 -12.615 1.00 64.13 N ATOM 516 CZ ARG A 34 3.970 7.370 -13.331 1.00 53.23 C ATOM 517 NH1 ARG A 34 4.732 7.635 -14.380 1.00 62.51 N ATOM 518 NH2 ARG A 34 3.782 6.106 -12.982 1.00 2.04 N ATOM 0 H ARG A 34 -0.656 10.581 -10.547 1.00 65.20 H new ATOM 0 HA ARG A 34 1.113 12.559 -11.689 1.00 61.54 H new ATOM 0 HB2 ARG A 34 1.750 10.743 -10.073 1.00 2.01 H new ATOM 0 HB3 ARG A 34 1.412 9.552 -11.314 1.00 2.01 H new ATOM 0 HG2 ARG A 34 3.447 11.718 -11.886 1.00 24.12 H new ATOM 0 HG3 ARG A 34 3.896 10.385 -10.841 1.00 24.12 H new ATOM 0 HD2 ARG A 34 2.859 10.089 -13.700 1.00 31.21 H new ATOM 0 HD3 ARG A 34 4.546 10.014 -13.231 1.00 31.21 H new ATOM 0 HE ARG A 34 2.810 8.088 -11.822 1.00 64.13 H new ATOM 0 HH11 ARG A 34 4.892 8.602 -14.663 1.00 62.51 H new ATOM 0 HH12 ARG A 34 5.159 6.872 -14.906 1.00 62.51 H new ATOM 0 HH21 ARG A 34 3.201 5.881 -12.174 1.00 2.04 H new ATOM 0 HH22 ARG A 34 4.218 5.358 -13.521 1.00 2.04 H new ATOM 532 N ALA A 35 0.181 10.053 -13.647 1.00 42.23 N ATOM 533 CA ALA A 35 0.013 9.588 -15.042 1.00 52.12 C ATOM 534 C ALA A 35 -0.382 8.116 -15.016 1.00 41.45 C ATOM 535 O ALA A 35 -1.418 7.709 -15.546 1.00 71.42 O ATOM 536 CB ALA A 35 1.306 9.777 -15.870 1.00 53.24 C ATOM 0 H ALA A 35 -0.002 9.326 -12.955 1.00 42.23 H new ATOM 0 HA ALA A 35 -0.764 10.184 -15.520 1.00 52.12 H new ATOM 0 HB1 ALA A 35 1.141 9.424 -16.888 1.00 53.24 H new ATOM 0 HB2 ALA A 35 1.573 10.834 -15.892 1.00 53.24 H new ATOM 0 HB3 ALA A 35 2.116 9.207 -15.415 1.00 53.24 H new ATOM 542 N PHE A 36 0.479 7.330 -14.365 1.00 43.33 N ATOM 543 CA PHE A 36 0.257 5.909 -14.101 1.00 42.30 C ATOM 544 C PHE A 36 0.391 5.692 -12.589 1.00 72.24 C ATOM 545 O PHE A 36 1.164 6.389 -11.911 1.00 74.43 O ATOM 546 CB PHE A 36 1.271 5.034 -14.894 1.00 25.24 C ATOM 547 CG PHE A 36 1.190 3.531 -14.597 1.00 74.50 C ATOM 548 CD1 PHE A 36 0.043 2.799 -14.920 1.00 35.44 C ATOM 549 CD2 PHE A 36 2.243 2.854 -13.969 1.00 20.31 C ATOM 550 CE1 PHE A 36 -0.043 1.447 -14.630 1.00 12.02 C ATOM 551 CE2 PHE A 36 2.151 1.504 -13.677 1.00 53.43 C ATOM 552 CZ PHE A 36 1.008 0.802 -14.007 1.00 12.13 C ATOM 0 H PHE A 36 1.368 7.672 -14.000 1.00 43.33 H new ATOM 0 HA PHE A 36 -0.738 5.610 -14.432 1.00 42.30 H new ATOM 0 HB2 PHE A 36 1.108 5.189 -15.960 1.00 25.24 H new ATOM 0 HB3 PHE A 36 2.280 5.381 -14.672 1.00 25.24 H new ATOM 0 HD1 PHE A 36 -0.787 3.294 -15.402 1.00 35.44 H new ATOM 0 HD2 PHE A 36 3.141 3.394 -13.708 1.00 20.31 H new ATOM 0 HE1 PHE A 36 -0.934 0.896 -14.892 1.00 12.02 H new ATOM 0 HE2 PHE A 36 2.973 0.999 -13.191 1.00 53.43 H new ATOM 0 HZ PHE A 36 0.936 -0.251 -13.778 1.00 12.13 H new ATOM 562 N ASN A 37 -0.362 4.719 -12.079 1.00 25.05 N ATOM 563 CA ASN A 37 -0.433 4.398 -10.645 1.00 31.24 C ATOM 564 C ASN A 37 0.787 3.567 -10.197 1.00 22.32 C ATOM 565 O ASN A 37 1.762 3.421 -10.938 1.00 13.51 O ATOM 566 CB ASN A 37 -1.750 3.631 -10.381 1.00 31.22 C ATOM 567 CG ASN A 37 -2.979 4.432 -10.796 1.00 35.21 C ATOM 568 OD1 ASN A 37 -3.429 4.353 -11.937 1.00 50.53 O ATOM 569 ND2 ASN A 37 -3.527 5.212 -9.880 1.00 72.04 N ATOM 0 H ASN A 37 -0.951 4.119 -12.656 1.00 25.05 H new ATOM 0 HA ASN A 37 -0.419 5.321 -10.065 1.00 31.24 H new ATOM 0 HB2 ASN A 37 -1.733 2.687 -10.926 1.00 31.22 H new ATOM 0 HB3 ASN A 37 -1.819 3.386 -9.321 1.00 31.22 H new ATOM 0 HD21 ASN A 37 -4.348 5.771 -10.111 1.00 72.04 H new ATOM 0 HD22 ASN A 37 -3.129 5.255 -8.942 1.00 72.04 H new ATOM 576 N VAL A 38 0.727 3.047 -8.962 1.00 31.42 N ATOM 577 CA VAL A 38 1.779 2.181 -8.409 1.00 44.21 C ATOM 578 C VAL A 38 1.587 0.736 -8.915 1.00 22.53 C ATOM 579 O VAL A 38 0.454 0.266 -9.050 1.00 60.43 O ATOM 580 CB VAL A 38 1.770 2.199 -6.834 1.00 0.13 C ATOM 581 CG1 VAL A 38 2.998 1.466 -6.268 1.00 43.14 C ATOM 582 CG2 VAL A 38 1.688 3.636 -6.279 1.00 14.24 C ATOM 0 H VAL A 38 -0.049 3.214 -8.321 1.00 31.42 H new ATOM 0 HA VAL A 38 2.742 2.564 -8.746 1.00 44.21 H new ATOM 0 HB VAL A 38 0.874 1.670 -6.509 1.00 0.13 H new ATOM 0 HG11 VAL A 38 2.968 1.493 -5.179 1.00 43.14 H new ATOM 0 HG12 VAL A 38 2.991 0.430 -6.606 1.00 43.14 H new ATOM 0 HG13 VAL A 38 3.907 1.955 -6.618 1.00 43.14 H new ATOM 0 HG21 VAL A 38 1.684 3.606 -5.189 1.00 14.24 H new ATOM 0 HG22 VAL A 38 2.549 4.209 -6.623 1.00 14.24 H new ATOM 0 HG23 VAL A 38 0.772 4.111 -6.632 1.00 14.24 H new ATOM 592 N GLU A 39 2.703 0.063 -9.213 1.00 42.54 N ATOM 593 CA GLU A 39 2.709 -1.351 -9.619 1.00 42.04 C ATOM 594 C GLU A 39 2.625 -2.256 -8.367 1.00 22.23 C ATOM 595 O GLU A 39 1.792 -3.170 -8.300 1.00 13.12 O ATOM 596 CB GLU A 39 3.997 -1.641 -10.447 1.00 25.51 C ATOM 597 CG GLU A 39 4.043 -3.025 -11.126 1.00 30.13 C ATOM 598 CD GLU A 39 2.862 -3.236 -12.089 1.00 33.34 C ATOM 599 OE1 GLU A 39 2.848 -2.601 -13.171 1.00 22.32 O ATOM 600 OE2 GLU A 39 1.944 -4.014 -11.759 1.00 72.32 O ATOM 0 H GLU A 39 3.632 0.483 -9.180 1.00 42.54 H new ATOM 0 HA GLU A 39 1.842 -1.566 -10.244 1.00 42.04 H new ATOM 0 HB2 GLU A 39 4.097 -0.874 -11.215 1.00 25.51 H new ATOM 0 HB3 GLU A 39 4.861 -1.548 -9.789 1.00 25.51 H new ATOM 0 HG2 GLU A 39 4.980 -3.129 -11.673 1.00 30.13 H new ATOM 0 HG3 GLU A 39 4.032 -3.803 -10.363 1.00 30.13 H new ATOM 607 N GLY A 40 3.478 -1.961 -7.360 1.00 63.34 N ATOM 608 CA GLY A 40 3.527 -2.739 -6.110 1.00 70.14 C ATOM 609 C GLY A 40 3.861 -1.874 -4.902 1.00 32.23 C ATOM 610 O GLY A 40 4.587 -0.903 -5.029 1.00 33.10 O ATOM 0 H GLY A 40 4.142 -1.187 -7.393 1.00 63.34 H new ATOM 0 HA2 GLY A 40 2.565 -3.226 -5.950 1.00 70.14 H new ATOM 0 HA3 GLY A 40 4.272 -3.529 -6.205 1.00 70.14 H new ATOM 614 N ILE A 41 3.340 -2.231 -3.723 1.00 41.10 N ATOM 615 CA ILE A 41 3.480 -1.424 -2.478 1.00 70.34 C ATOM 616 C ILE A 41 3.971 -2.336 -1.345 1.00 11.33 C ATOM 617 O ILE A 41 3.654 -3.526 -1.330 1.00 14.04 O ATOM 618 CB ILE A 41 2.095 -0.765 -2.058 1.00 50.13 C ATOM 619 CG1 ILE A 41 1.508 0.101 -3.216 1.00 73.45 C ATOM 620 CG2 ILE A 41 2.222 0.078 -0.762 1.00 24.41 C ATOM 621 CD1 ILE A 41 0.152 0.728 -2.932 1.00 22.31 C ATOM 0 H ILE A 41 2.805 -3.089 -3.592 1.00 41.10 H new ATOM 0 HA ILE A 41 4.196 -0.623 -2.663 1.00 70.34 H new ATOM 0 HB ILE A 41 1.405 -1.584 -1.854 1.00 50.13 H new ATOM 0 HG12 ILE A 41 2.216 0.896 -3.449 1.00 73.45 H new ATOM 0 HG13 ILE A 41 1.423 -0.521 -4.107 1.00 73.45 H new ATOM 0 HG21 ILE A 41 1.253 0.509 -0.512 1.00 24.41 H new ATOM 0 HG22 ILE A 41 2.557 -0.560 0.056 1.00 24.41 H new ATOM 0 HG23 ILE A 41 2.946 0.878 -0.918 1.00 24.41 H new ATOM 0 HD11 ILE A 41 -0.169 1.309 -3.797 1.00 22.31 H new ATOM 0 HD12 ILE A 41 -0.577 -0.057 -2.732 1.00 22.31 H new ATOM 0 HD13 ILE A 41 0.228 1.382 -2.064 1.00 22.31 H new ATOM 633 N LEU A 42 4.752 -1.781 -0.406 1.00 42.34 N ATOM 634 CA LEU A 42 5.136 -2.494 0.822 1.00 1.34 C ATOM 635 C LEU A 42 5.306 -1.494 1.976 1.00 5.12 C ATOM 636 O LEU A 42 6.328 -0.836 2.100 1.00 63.23 O ATOM 637 CB LEU A 42 6.410 -3.354 0.572 1.00 73.24 C ATOM 638 CG LEU A 42 7.027 -4.120 1.800 1.00 65.11 C ATOM 639 CD1 LEU A 42 5.964 -4.840 2.658 1.00 31.03 C ATOM 640 CD2 LEU A 42 8.104 -5.105 1.310 1.00 34.51 C ATOM 0 H LEU A 42 5.131 -0.837 -0.474 1.00 42.34 H new ATOM 0 HA LEU A 42 4.345 -3.185 1.112 1.00 1.34 H new ATOM 0 HB2 LEU A 42 6.173 -4.089 -0.197 1.00 73.24 H new ATOM 0 HB3 LEU A 42 7.181 -2.701 0.162 1.00 73.24 H new ATOM 0 HG LEU A 42 7.485 -3.376 2.452 1.00 65.11 H new ATOM 0 HD11 LEU A 42 6.451 -5.350 3.489 1.00 31.03 H new ATOM 0 HD12 LEU A 42 5.254 -4.110 3.046 1.00 31.03 H new ATOM 0 HD13 LEU A 42 5.435 -5.570 2.045 1.00 31.03 H new ATOM 0 HD21 LEU A 42 8.529 -5.634 2.163 1.00 34.51 H new ATOM 0 HD22 LEU A 42 7.655 -5.824 0.625 1.00 34.51 H new ATOM 0 HD23 LEU A 42 8.892 -4.556 0.794 1.00 34.51 H new ATOM 652 N CYS A 43 4.244 -1.354 2.773 1.00 63.12 N ATOM 653 CA CYS A 43 4.230 -0.552 4.001 1.00 74.21 C ATOM 654 C CYS A 43 4.601 -1.444 5.200 1.00 70.33 C ATOM 655 O CYS A 43 3.823 -2.327 5.582 1.00 13.42 O ATOM 656 CB CYS A 43 2.827 0.069 4.186 1.00 12.03 C ATOM 657 SG CYS A 43 2.603 1.047 5.687 1.00 11.11 S ATOM 0 H CYS A 43 3.350 -1.805 2.579 1.00 63.12 H new ATOM 0 HA CYS A 43 4.961 0.254 3.933 1.00 74.21 H new ATOM 0 HB2 CYS A 43 2.612 0.702 3.325 1.00 12.03 H new ATOM 0 HB3 CYS A 43 2.090 -0.734 4.183 1.00 12.03 H new ATOM 0 HG CYS A 43 3.729 1.115 6.333 1.00 11.11 H new ATOM 663 N LEU A 44 5.805 -1.223 5.753 1.00 61.41 N ATOM 664 CA LEU A 44 6.323 -1.960 6.919 1.00 43.03 C ATOM 665 C LEU A 44 6.157 -1.080 8.181 1.00 72.24 C ATOM 666 O LEU A 44 6.951 -0.150 8.376 1.00 1.13 O ATOM 667 CB LEU A 44 7.823 -2.313 6.697 1.00 13.22 C ATOM 668 CG LEU A 44 8.483 -3.280 7.744 1.00 70.13 C ATOM 669 CD1 LEU A 44 7.949 -4.719 7.594 1.00 51.53 C ATOM 670 CD2 LEU A 44 10.024 -3.250 7.642 1.00 2.23 C ATOM 0 H LEU A 44 6.454 -0.520 5.399 1.00 61.41 H new ATOM 0 HA LEU A 44 5.767 -2.888 7.050 1.00 43.03 H new ATOM 0 HB2 LEU A 44 7.924 -2.761 5.709 1.00 13.22 H new ATOM 0 HB3 LEU A 44 8.393 -1.384 6.685 1.00 13.22 H new ATOM 0 HG LEU A 44 8.207 -2.924 8.736 1.00 70.13 H new ATOM 0 HD11 LEU A 44 8.426 -5.363 8.333 1.00 51.53 H new ATOM 0 HD12 LEU A 44 6.870 -4.725 7.750 1.00 51.53 H new ATOM 0 HD13 LEU A 44 8.173 -5.088 6.593 1.00 51.53 H new ATOM 0 HD21 LEU A 44 10.451 -3.930 8.380 1.00 2.23 H new ATOM 0 HD22 LEU A 44 10.329 -3.561 6.643 1.00 2.23 H new ATOM 0 HD23 LEU A 44 10.382 -2.238 7.832 1.00 2.23 H new ATOM 682 N PRO A 45 5.108 -1.325 9.036 1.00 11.22 N ATOM 683 CA PRO A 45 4.884 -0.526 10.263 1.00 15.42 C ATOM 684 C PRO A 45 5.937 -0.851 11.341 1.00 1.14 C ATOM 685 O PRO A 45 6.137 -2.021 11.700 1.00 75.32 O ATOM 686 CB PRO A 45 3.456 -0.932 10.698 1.00 14.25 C ATOM 687 CG PRO A 45 3.267 -2.324 10.164 1.00 4.02 C ATOM 688 CD PRO A 45 4.069 -2.388 8.874 1.00 32.23 C ATOM 0 HA PRO A 45 4.978 0.548 10.102 1.00 15.42 H new ATOM 0 HB2 PRO A 45 3.352 -0.908 11.783 1.00 14.25 H new ATOM 0 HB3 PRO A 45 2.710 -0.249 10.291 1.00 14.25 H new ATOM 0 HG2 PRO A 45 3.618 -3.068 10.879 1.00 4.02 H new ATOM 0 HG3 PRO A 45 2.213 -2.532 9.979 1.00 4.02 H new ATOM 0 HD2 PRO A 45 4.522 -3.370 8.735 1.00 32.23 H new ATOM 0 HD3 PRO A 45 3.440 -2.201 8.004 1.00 32.23 H new ATOM 696 N ILE A 46 6.627 0.190 11.829 1.00 3.43 N ATOM 697 CA ILE A 46 7.738 0.028 12.776 1.00 33.10 C ATOM 698 C ILE A 46 7.190 -0.016 14.214 1.00 11.55 C ATOM 699 O ILE A 46 6.413 0.851 14.617 1.00 1.44 O ATOM 700 CB ILE A 46 8.802 1.166 12.604 1.00 42.20 C ATOM 701 CG1 ILE A 46 9.241 1.298 11.099 1.00 43.41 C ATOM 702 CG2 ILE A 46 10.025 0.942 13.531 1.00 33.03 C ATOM 703 CD1 ILE A 46 9.799 0.035 10.459 1.00 70.21 C ATOM 0 H ILE A 46 6.432 1.160 11.581 1.00 3.43 H new ATOM 0 HA ILE A 46 8.244 -0.915 12.566 1.00 33.10 H new ATOM 0 HB ILE A 46 8.337 2.106 12.902 1.00 42.20 H new ATOM 0 HG12 ILE A 46 8.381 1.628 10.517 1.00 43.41 H new ATOM 0 HG13 ILE A 46 9.994 2.082 11.027 1.00 43.41 H new ATOM 0 HG21 ILE A 46 10.744 1.749 13.387 1.00 33.03 H new ATOM 0 HG22 ILE A 46 9.697 0.930 14.570 1.00 33.03 H new ATOM 0 HG23 ILE A 46 10.496 -0.011 13.288 1.00 33.03 H new ATOM 0 HD11 ILE A 46 10.069 0.241 9.423 1.00 70.21 H new ATOM 0 HD12 ILE A 46 10.684 -0.290 11.007 1.00 70.21 H new ATOM 0 HD13 ILE A 46 9.045 -0.751 10.488 1.00 70.21 H new ATOM 715 N GLN A 47 7.647 -1.023 14.966 1.00 74.04 N ATOM 716 CA GLN A 47 7.064 -1.449 16.250 1.00 75.04 C ATOM 717 C GLN A 47 7.067 -0.352 17.339 1.00 11.12 C ATOM 718 O GLN A 47 6.041 -0.088 17.957 1.00 74.34 O ATOM 719 CB GLN A 47 7.846 -2.697 16.734 1.00 30.33 C ATOM 720 CG GLN A 47 7.492 -3.199 18.142 1.00 12.44 C ATOM 721 CD GLN A 47 8.211 -4.490 18.537 1.00 32.43 C ATOM 722 OE1 GLN A 47 8.520 -5.332 17.696 1.00 51.14 O ATOM 723 NE2 GLN A 47 8.472 -4.662 19.821 1.00 72.12 N ATOM 0 H GLN A 47 8.455 -1.582 14.694 1.00 74.04 H new ATOM 0 HA GLN A 47 6.011 -1.675 16.081 1.00 75.04 H new ATOM 0 HB2 GLN A 47 7.675 -3.508 16.025 1.00 30.33 H new ATOM 0 HB3 GLN A 47 8.911 -2.469 16.707 1.00 30.33 H new ATOM 0 HG2 GLN A 47 7.736 -2.422 18.866 1.00 12.44 H new ATOM 0 HG3 GLN A 47 6.416 -3.362 18.200 1.00 12.44 H new ATOM 0 HE21 GLN A 47 8.204 -3.946 20.496 1.00 72.12 H new ATOM 0 HE22 GLN A 47 8.942 -5.511 20.137 1.00 72.12 H new ATOM 732 N ASP A 48 8.224 0.272 17.558 1.00 11.01 N ATOM 733 CA ASP A 48 8.483 1.097 18.769 1.00 20.50 C ATOM 734 C ASP A 48 8.713 2.579 18.439 1.00 21.35 C ATOM 735 O ASP A 48 9.161 3.355 19.297 1.00 11.33 O ATOM 736 CB ASP A 48 9.716 0.511 19.506 1.00 23.11 C ATOM 737 CG ASP A 48 11.021 0.613 18.684 1.00 41.10 C ATOM 738 OD1 ASP A 48 11.101 -0.006 17.599 1.00 35.14 O ATOM 739 OD2 ASP A 48 11.966 1.312 19.110 1.00 34.51 O ATOM 0 H ASP A 48 9.013 0.229 16.913 1.00 11.01 H new ATOM 0 HA ASP A 48 7.598 1.059 19.405 1.00 20.50 H new ATOM 0 HB2 ASP A 48 9.848 1.035 20.453 1.00 23.11 H new ATOM 0 HB3 ASP A 48 9.525 -0.535 19.745 1.00 23.11 H new ATOM 744 N SER A 49 8.394 2.979 17.216 1.00 14.15 N ATOM 745 CA SER A 49 8.612 4.357 16.742 1.00 32.13 C ATOM 746 C SER A 49 7.481 4.754 15.794 1.00 24.11 C ATOM 747 O SER A 49 7.114 3.947 14.933 1.00 3.31 O ATOM 748 CB SER A 49 9.988 4.454 16.031 1.00 63.23 C ATOM 749 OG SER A 49 11.065 4.114 16.899 1.00 74.25 O ATOM 0 H SER A 49 7.976 2.365 16.517 1.00 14.15 H new ATOM 0 HA SER A 49 8.614 5.043 17.589 1.00 32.13 H new ATOM 0 HB2 SER A 49 9.996 3.790 15.166 1.00 63.23 H new ATOM 0 HB3 SER A 49 10.131 5.467 15.656 1.00 63.23 H new ATOM 0 HG SER A 49 11.913 4.186 16.412 1.00 74.25 H new ATOM 755 N ASP A 50 6.928 5.984 15.959 1.00 4.03 N ATOM 756 CA ASP A 50 5.834 6.506 15.109 1.00 14.43 C ATOM 757 C ASP A 50 6.344 6.738 13.682 1.00 31.22 C ATOM 758 O ASP A 50 6.710 7.858 13.296 1.00 63.34 O ATOM 759 CB ASP A 50 5.228 7.807 15.694 1.00 62.13 C ATOM 760 CG ASP A 50 4.616 7.592 17.082 1.00 41.24 C ATOM 761 OD1 ASP A 50 3.416 7.239 17.169 1.00 45.32 O ATOM 762 OD2 ASP A 50 5.328 7.791 18.088 1.00 62.31 O ATOM 0 H ASP A 50 7.229 6.637 16.683 1.00 4.03 H new ATOM 0 HA ASP A 50 5.039 5.761 15.085 1.00 14.43 H new ATOM 0 HB2 ASP A 50 6.004 8.570 15.756 1.00 62.13 H new ATOM 0 HB3 ASP A 50 4.462 8.185 15.017 1.00 62.13 H new ATOM 767 N LYS A 51 6.429 5.633 12.943 1.00 22.35 N ATOM 768 CA LYS A 51 6.938 5.589 11.586 1.00 55.40 C ATOM 769 C LYS A 51 6.541 4.258 10.934 1.00 44.40 C ATOM 770 O LYS A 51 6.248 3.266 11.616 1.00 44.14 O ATOM 771 CB LYS A 51 8.483 5.781 11.549 1.00 41.24 C ATOM 772 CG LYS A 51 9.274 4.775 12.403 1.00 72.22 C ATOM 773 CD LYS A 51 10.794 4.773 12.116 1.00 73.43 C ATOM 774 CE LYS A 51 11.476 6.117 12.404 1.00 61.12 C ATOM 775 NZ LYS A 51 12.954 6.020 12.259 1.00 14.53 N ATOM 0 H LYS A 51 6.135 4.720 13.289 1.00 22.35 H new ATOM 0 HA LYS A 51 6.497 6.412 11.024 1.00 55.40 H new ATOM 0 HB2 LYS A 51 8.821 5.705 10.515 1.00 41.24 H new ATOM 0 HB3 LYS A 51 8.719 6.790 11.888 1.00 41.24 H new ATOM 0 HG2 LYS A 51 9.113 5.001 13.457 1.00 72.22 H new ATOM 0 HG3 LYS A 51 8.879 3.774 12.228 1.00 72.22 H new ATOM 0 HD2 LYS A 51 11.268 3.998 12.719 1.00 73.43 H new ATOM 0 HD3 LYS A 51 10.958 4.509 11.071 1.00 73.43 H new ATOM 0 HE2 LYS A 51 11.091 6.875 11.722 1.00 61.12 H new ATOM 0 HE3 LYS A 51 11.229 6.443 13.414 1.00 61.12 H new ATOM 0 HZ1 LYS A 51 13.384 6.945 12.460 1.00 14.53 H new ATOM 0 HZ2 LYS A 51 13.323 5.314 12.928 1.00 14.53 H new ATOM 0 HZ3 LYS A 51 13.189 5.733 11.287 1.00 14.53 H new ATOM 789 N SER A 52 6.553 4.263 9.612 1.00 33.44 N ATOM 790 CA SER A 52 6.221 3.126 8.772 1.00 43.11 C ATOM 791 C SER A 52 6.928 3.360 7.441 1.00 31.33 C ATOM 792 O SER A 52 6.838 4.454 6.881 1.00 72.21 O ATOM 793 CB SER A 52 4.687 3.014 8.579 1.00 62.13 C ATOM 794 OG SER A 52 4.345 1.856 7.838 1.00 25.53 O ATOM 0 H SER A 52 6.804 5.092 9.074 1.00 33.44 H new ATOM 0 HA SER A 52 6.543 2.189 9.226 1.00 43.11 H new ATOM 0 HB2 SER A 52 4.197 2.984 9.552 1.00 62.13 H new ATOM 0 HB3 SER A 52 4.317 3.901 8.064 1.00 62.13 H new ATOM 0 HG SER A 52 3.403 1.905 7.571 1.00 25.53 H new ATOM 800 N HIS A 53 7.668 2.367 6.956 1.00 12.54 N ATOM 801 CA HIS A 53 8.506 2.511 5.756 1.00 24.22 C ATOM 802 C HIS A 53 7.781 1.904 4.549 1.00 0.13 C ATOM 803 O HIS A 53 7.705 0.682 4.428 1.00 44.40 O ATOM 804 CB HIS A 53 9.899 1.821 5.997 1.00 60.11 C ATOM 805 CG HIS A 53 11.089 2.704 5.758 1.00 71.33 C ATOM 806 ND1 HIS A 53 12.354 2.408 6.223 1.00 11.40 N ATOM 807 CD2 HIS A 53 11.201 3.886 5.118 1.00 53.32 C ATOM 808 CE1 HIS A 53 13.180 3.371 5.884 1.00 14.14 C ATOM 809 NE2 HIS A 53 12.505 4.275 5.217 1.00 23.25 N ATOM 0 H HIS A 53 7.708 1.439 7.378 1.00 12.54 H new ATOM 0 HA HIS A 53 8.684 3.566 5.550 1.00 24.22 H new ATOM 0 HB2 HIS A 53 9.935 1.456 7.024 1.00 60.11 H new ATOM 0 HB3 HIS A 53 9.974 0.950 5.346 1.00 60.11 H new ATOM 0 HD2 HIS A 53 10.407 4.424 4.621 1.00 53.32 H new ATOM 0 HE1 HIS A 53 14.234 3.411 6.115 1.00 14.14 H new ATOM 0 HE2 HIS A 53 12.894 5.136 4.832 1.00 23.25 H new ATOM 818 N ILE A 54 7.236 2.763 3.674 1.00 34.44 N ATOM 819 CA ILE A 54 6.512 2.322 2.475 1.00 71.41 C ATOM 820 C ILE A 54 7.447 2.433 1.271 1.00 52.05 C ATOM 821 O ILE A 54 7.978 3.512 0.991 1.00 40.05 O ATOM 822 CB ILE A 54 5.183 3.133 2.165 1.00 74.11 C ATOM 823 CG1 ILE A 54 4.237 3.249 3.401 1.00 24.03 C ATOM 824 CG2 ILE A 54 4.420 2.464 0.997 1.00 31.04 C ATOM 825 CD1 ILE A 54 4.706 4.178 4.485 1.00 32.23 C ATOM 0 H ILE A 54 7.285 3.777 3.778 1.00 34.44 H new ATOM 0 HA ILE A 54 6.201 1.295 2.668 1.00 71.41 H new ATOM 0 HB ILE A 54 5.488 4.144 1.895 1.00 74.11 H new ATOM 0 HG12 ILE A 54 3.258 3.583 3.058 1.00 24.03 H new ATOM 0 HG13 ILE A 54 4.103 2.256 3.830 1.00 24.03 H new ATOM 0 HG21 ILE A 54 3.509 3.025 0.789 1.00 31.04 H new ATOM 0 HG22 ILE A 54 5.051 2.454 0.108 1.00 31.04 H new ATOM 0 HG23 ILE A 54 4.162 1.441 1.270 1.00 31.04 H new ATOM 0 HD11 ILE A 54 3.979 4.187 5.297 1.00 32.23 H new ATOM 0 HD12 ILE A 54 5.669 3.837 4.865 1.00 32.23 H new ATOM 0 HD13 ILE A 54 4.811 5.185 4.081 1.00 32.23 H new ATOM 837 N TRP A 55 7.669 1.304 0.597 1.00 1.43 N ATOM 838 CA TRP A 55 8.405 1.237 -0.661 1.00 33.23 C ATOM 839 C TRP A 55 7.385 1.197 -1.814 1.00 11.32 C ATOM 840 O TRP A 55 6.648 0.206 -1.967 1.00 21.24 O ATOM 841 CB TRP A 55 9.326 -0.012 -0.658 1.00 43.12 C ATOM 842 CG TRP A 55 10.374 0.012 0.447 1.00 4.42 C ATOM 843 CD1 TRP A 55 11.581 0.645 0.423 1.00 41.03 C ATOM 844 CD2 TRP A 55 10.294 -0.608 1.737 1.00 62.32 C ATOM 845 NE1 TRP A 55 12.250 0.446 1.601 1.00 3.02 N ATOM 846 CE2 TRP A 55 11.482 -0.316 2.423 1.00 54.52 C ATOM 847 CE3 TRP A 55 9.336 -1.382 2.369 1.00 54.44 C ATOM 848 CZ2 TRP A 55 11.729 -0.768 3.711 1.00 55.13 C ATOM 849 CZ3 TRP A 55 9.577 -1.831 3.647 1.00 22.15 C ATOM 850 CH2 TRP A 55 10.767 -1.524 4.308 1.00 34.11 C ATOM 0 H TRP A 55 7.335 0.395 0.918 1.00 1.43 H new ATOM 0 HA TRP A 55 9.043 2.111 -0.790 1.00 33.23 H new ATOM 0 HB2 TRP A 55 8.713 -0.906 -0.548 1.00 43.12 H new ATOM 0 HB3 TRP A 55 9.828 -0.087 -1.623 1.00 43.12 H new ATOM 0 HD1 TRP A 55 11.957 1.223 -0.409 1.00 41.03 H new ATOM 0 HE1 TRP A 55 13.176 0.811 1.825 1.00 3.02 H new ATOM 0 HE3 TRP A 55 8.413 -1.630 1.866 1.00 54.44 H new ATOM 0 HZ2 TRP A 55 12.650 -0.529 4.221 1.00 55.13 H new ATOM 0 HZ3 TRP A 55 8.832 -2.432 4.147 1.00 22.15 H new ATOM 0 HH2 TRP A 55 10.928 -1.892 5.310 1.00 34.11 H new ATOM 861 N LEU A 56 7.286 2.312 -2.565 1.00 55.42 N ATOM 862 CA LEU A 56 6.381 2.434 -3.724 1.00 3.30 C ATOM 863 C LEU A 56 7.127 2.030 -4.996 1.00 33.02 C ATOM 864 O LEU A 56 8.052 2.721 -5.414 1.00 71.20 O ATOM 865 CB LEU A 56 5.828 3.886 -3.890 1.00 51.43 C ATOM 866 CG LEU A 56 4.852 4.411 -2.786 1.00 41.13 C ATOM 867 CD1 LEU A 56 3.663 3.448 -2.574 1.00 2.44 C ATOM 868 CD2 LEU A 56 5.594 4.726 -1.472 1.00 2.43 C ATOM 0 H LEU A 56 7.832 3.154 -2.384 1.00 55.42 H new ATOM 0 HA LEU A 56 5.532 1.773 -3.551 1.00 3.30 H new ATOM 0 HB2 LEU A 56 6.678 4.567 -3.941 1.00 51.43 H new ATOM 0 HB3 LEU A 56 5.315 3.944 -4.850 1.00 51.43 H new ATOM 0 HG LEU A 56 4.433 5.353 -3.140 1.00 41.13 H new ATOM 0 HD11 LEU A 56 3.006 3.845 -1.800 1.00 2.44 H new ATOM 0 HD12 LEU A 56 3.106 3.347 -3.506 1.00 2.44 H new ATOM 0 HD13 LEU A 56 4.036 2.471 -2.267 1.00 2.44 H new ATOM 0 HD21 LEU A 56 4.882 5.088 -0.730 1.00 2.43 H new ATOM 0 HD22 LEU A 56 6.077 3.822 -1.101 1.00 2.43 H new ATOM 0 HD23 LEU A 56 6.348 5.491 -1.655 1.00 2.43 H new ATOM 880 N LEU A 57 6.708 0.910 -5.587 1.00 15.43 N ATOM 881 CA LEU A 57 7.243 0.396 -6.856 1.00 31.31 C ATOM 882 C LEU A 57 6.448 1.026 -7.992 1.00 73.44 C ATOM 883 O LEU A 57 5.373 0.541 -8.346 1.00 30.54 O ATOM 884 CB LEU A 57 7.121 -1.151 -6.943 1.00 33.12 C ATOM 885 CG LEU A 57 8.082 -2.015 -6.075 1.00 22.32 C ATOM 886 CD1 LEU A 57 8.058 -1.637 -4.582 1.00 23.20 C ATOM 887 CD2 LEU A 57 7.771 -3.505 -6.285 1.00 50.21 C ATOM 0 H LEU A 57 5.974 0.322 -5.193 1.00 15.43 H new ATOM 0 HA LEU A 57 8.301 0.650 -6.923 1.00 31.31 H new ATOM 0 HB2 LEU A 57 6.099 -1.420 -6.676 1.00 33.12 H new ATOM 0 HB3 LEU A 57 7.264 -1.438 -7.985 1.00 33.12 H new ATOM 0 HG LEU A 57 9.099 -1.809 -6.410 1.00 22.32 H new ATOM 0 HD11 LEU A 57 8.749 -2.277 -4.034 1.00 23.20 H new ATOM 0 HD12 LEU A 57 8.357 -0.595 -4.466 1.00 23.20 H new ATOM 0 HD13 LEU A 57 7.050 -1.771 -4.189 1.00 23.20 H new ATOM 0 HD21 LEU A 57 8.446 -4.107 -5.676 1.00 50.21 H new ATOM 0 HD22 LEU A 57 6.741 -3.706 -5.992 1.00 50.21 H new ATOM 0 HD23 LEU A 57 7.906 -3.760 -7.336 1.00 50.21 H new ATOM 899 N VAL A 58 6.958 2.124 -8.527 1.00 73.32 N ATOM 900 CA VAL A 58 6.316 2.864 -9.625 1.00 30.40 C ATOM 901 C VAL A 58 7.380 3.179 -10.676 1.00 0.50 C ATOM 902 O VAL A 58 8.532 3.379 -10.325 1.00 73.21 O ATOM 903 CB VAL A 58 5.638 4.186 -9.088 1.00 20.54 C ATOM 904 CG1 VAL A 58 6.683 5.189 -8.541 1.00 72.12 C ATOM 905 CG2 VAL A 58 4.720 4.836 -10.152 1.00 14.03 C ATOM 0 H VAL A 58 7.837 2.538 -8.215 1.00 73.32 H new ATOM 0 HA VAL A 58 5.527 2.258 -10.072 1.00 30.40 H new ATOM 0 HB VAL A 58 5.002 3.899 -8.250 1.00 20.54 H new ATOM 0 HG11 VAL A 58 6.175 6.084 -8.182 1.00 72.12 H new ATOM 0 HG12 VAL A 58 7.233 4.730 -7.720 1.00 72.12 H new ATOM 0 HG13 VAL A 58 7.378 5.460 -9.336 1.00 72.12 H new ATOM 0 HG21 VAL A 58 4.273 5.742 -9.743 1.00 14.03 H new ATOM 0 HG22 VAL A 58 5.308 5.088 -11.035 1.00 14.03 H new ATOM 0 HG23 VAL A 58 3.932 4.136 -10.429 1.00 14.03 H new ATOM 915 N ASN A 59 7.024 3.190 -11.958 1.00 30.54 N ATOM 916 CA ASN A 59 7.987 3.543 -13.014 1.00 22.12 C ATOM 917 C ASN A 59 8.188 5.075 -13.020 1.00 60.12 C ATOM 918 O ASN A 59 7.209 5.838 -12.946 1.00 15.45 O ATOM 919 CB ASN A 59 7.542 2.990 -14.393 1.00 61.50 C ATOM 920 CG ASN A 59 6.233 3.575 -14.943 1.00 43.14 C ATOM 921 OD1 ASN A 59 5.330 3.964 -14.200 1.00 42.11 O ATOM 922 ND2 ASN A 59 6.116 3.623 -16.260 1.00 25.13 N ATOM 0 H ASN A 59 6.089 2.962 -12.295 1.00 30.54 H new ATOM 0 HA ASN A 59 8.949 3.074 -12.806 1.00 22.12 H new ATOM 0 HB2 ASN A 59 8.337 3.178 -15.115 1.00 61.50 H new ATOM 0 HB3 ASN A 59 7.433 1.908 -14.314 1.00 61.50 H new ATOM 0 HD21 ASN A 59 5.263 3.989 -16.683 1.00 25.13 H new ATOM 0 HD22 ASN A 59 6.879 3.294 -16.852 1.00 25.13 H new ATOM 929 N ASP A 60 9.467 5.508 -13.041 1.00 53.24 N ATOM 930 CA ASP A 60 9.852 6.930 -12.929 1.00 3.41 C ATOM 931 C ASP A 60 9.270 7.767 -14.078 1.00 45.41 C ATOM 932 O ASP A 60 9.041 7.267 -15.185 1.00 61.53 O ATOM 933 CB ASP A 60 11.399 7.093 -12.875 1.00 52.32 C ATOM 934 CG ASP A 60 12.101 6.706 -14.186 1.00 22.42 C ATOM 935 OD1 ASP A 60 12.291 5.499 -14.429 1.00 74.24 O ATOM 936 OD2 ASP A 60 12.445 7.603 -14.989 1.00 12.33 O ATOM 0 H ASP A 60 10.264 4.878 -13.136 1.00 53.24 H new ATOM 0 HA ASP A 60 9.432 7.301 -11.994 1.00 3.41 H new ATOM 0 HB2 ASP A 60 11.639 8.129 -12.635 1.00 52.32 H new ATOM 0 HB3 ASP A 60 11.793 6.479 -12.066 1.00 52.32 H new ATOM 941 N ASP A 61 9.024 9.035 -13.776 1.00 51.54 N ATOM 942 CA ASP A 61 8.421 10.008 -14.693 1.00 20.43 C ATOM 943 C ASP A 61 9.052 11.383 -14.403 1.00 12.23 C ATOM 944 O ASP A 61 9.683 11.568 -13.348 1.00 4.32 O ATOM 945 CB ASP A 61 6.885 10.024 -14.441 1.00 75.44 C ATOM 946 CG ASP A 61 6.047 10.621 -15.577 1.00 43.32 C ATOM 947 OD1 ASP A 61 5.898 11.851 -15.643 1.00 42.11 O ATOM 948 OD2 ASP A 61 5.502 9.852 -16.388 1.00 21.44 O ATOM 0 H ASP A 61 9.243 9.432 -12.862 1.00 51.54 H new ATOM 0 HA ASP A 61 8.599 9.752 -15.737 1.00 20.43 H new ATOM 0 HB2 ASP A 61 6.551 9.002 -14.262 1.00 75.44 H new ATOM 0 HB3 ASP A 61 6.688 10.588 -13.529 1.00 75.44 H new ATOM 953 N GLN A 62 8.856 12.346 -15.297 1.00 5.10 N ATOM 954 CA GLN A 62 9.332 13.729 -15.093 1.00 12.15 C ATOM 955 C GLN A 62 8.445 14.435 -14.043 1.00 15.50 C ATOM 956 O GLN A 62 8.918 15.259 -13.258 1.00 71.31 O ATOM 957 CB GLN A 62 9.329 14.473 -16.449 1.00 61.11 C ATOM 958 CG GLN A 62 10.234 13.812 -17.510 1.00 42.14 C ATOM 959 CD GLN A 62 10.100 14.432 -18.901 1.00 43.53 C ATOM 960 OE1 GLN A 62 10.830 15.358 -19.258 1.00 11.23 O ATOM 961 NE2 GLN A 62 9.152 13.941 -19.690 1.00 1.01 N ATOM 0 H GLN A 62 8.367 12.202 -16.181 1.00 5.10 H new ATOM 0 HA GLN A 62 10.353 13.727 -14.712 1.00 12.15 H new ATOM 0 HB2 GLN A 62 8.308 14.517 -16.829 1.00 61.11 H new ATOM 0 HB3 GLN A 62 9.656 15.501 -16.292 1.00 61.11 H new ATOM 0 HG2 GLN A 62 11.272 13.886 -17.187 1.00 42.14 H new ATOM 0 HG3 GLN A 62 9.994 12.750 -17.570 1.00 42.14 H new ATOM 0 HE21 GLN A 62 8.564 13.174 -19.364 1.00 1.01 H new ATOM 0 HE22 GLN A 62 9.011 14.331 -20.622 1.00 1.01 H new ATOM 970 N ARG A 63 7.159 14.050 -14.028 1.00 50.03 N ATOM 971 CA ARG A 63 6.153 14.544 -13.066 1.00 10.00 C ATOM 972 C ARG A 63 6.259 13.789 -11.726 1.00 31.02 C ATOM 973 O ARG A 63 5.873 14.326 -10.686 1.00 64.15 O ATOM 974 CB ARG A 63 4.730 14.401 -13.669 1.00 44.54 C ATOM 975 CG ARG A 63 3.606 15.081 -12.848 1.00 25.05 C ATOM 976 CD ARG A 63 2.246 15.042 -13.567 1.00 44.11 C ATOM 977 NE ARG A 63 2.287 15.754 -14.858 1.00 72.24 N ATOM 978 CZ ARG A 63 1.615 15.407 -15.965 1.00 62.22 C ATOM 979 NH1 ARG A 63 0.816 14.341 -15.980 1.00 11.44 N ATOM 980 NH2 ARG A 63 1.754 16.133 -17.064 1.00 64.44 N ATOM 0 H ARG A 63 6.780 13.376 -14.693 1.00 50.03 H new ATOM 0 HA ARG A 63 6.345 15.599 -12.870 1.00 10.00 H new ATOM 0 HB2 ARG A 63 4.732 14.823 -14.674 1.00 44.54 H new ATOM 0 HB3 ARG A 63 4.498 13.341 -13.769 1.00 44.54 H new ATOM 0 HG2 ARG A 63 3.517 14.586 -11.881 1.00 25.05 H new ATOM 0 HG3 ARG A 63 3.880 16.118 -12.652 1.00 25.05 H new ATOM 0 HD2 ARG A 63 1.952 14.005 -13.733 1.00 44.11 H new ATOM 0 HD3 ARG A 63 1.485 15.491 -12.929 1.00 44.11 H new ATOM 0 HE ARG A 63 2.878 16.583 -14.913 1.00 72.24 H new ATOM 0 HH11 ARG A 63 0.707 13.773 -15.140 1.00 11.44 H new ATOM 0 HH12 ARG A 63 0.313 14.093 -16.832 1.00 11.44 H new ATOM 0 HH21 ARG A 63 2.368 16.948 -17.063 1.00 64.44 H new ATOM 0 HH22 ARG A 63 1.247 15.877 -17.912 1.00 64.44 H new ATOM 994 N LEU A 64 6.764 12.530 -11.784 1.00 25.33 N ATOM 995 CA LEU A 64 6.974 11.649 -10.597 1.00 0.22 C ATOM 996 C LEU A 64 7.727 12.413 -9.490 1.00 34.15 C ATOM 997 O LEU A 64 7.303 12.433 -8.341 1.00 20.25 O ATOM 998 CB LEU A 64 7.801 10.387 -11.023 1.00 51.30 C ATOM 999 CG LEU A 64 7.548 9.024 -10.298 1.00 14.43 C ATOM 1000 CD1 LEU A 64 7.824 9.094 -8.800 1.00 60.34 C ATOM 1001 CD2 LEU A 64 6.136 8.476 -10.578 1.00 71.45 C ATOM 0 H LEU A 64 7.040 12.090 -12.662 1.00 25.33 H new ATOM 0 HA LEU A 64 6.004 11.338 -10.211 1.00 0.22 H new ATOM 0 HB2 LEU A 64 7.630 10.228 -12.088 1.00 51.30 H new ATOM 0 HB3 LEU A 64 8.856 10.631 -10.902 1.00 51.30 H new ATOM 0 HG LEU A 64 8.266 8.321 -10.720 1.00 14.43 H new ATOM 0 HD11 LEU A 64 7.632 8.121 -8.349 1.00 60.34 H new ATOM 0 HD12 LEU A 64 8.865 9.372 -8.634 1.00 60.34 H new ATOM 0 HD13 LEU A 64 7.173 9.840 -8.344 1.00 60.34 H new ATOM 0 HD21 LEU A 64 6.003 7.529 -10.055 1.00 71.45 H new ATOM 0 HD22 LEU A 64 5.392 9.191 -10.227 1.00 71.45 H new ATOM 0 HD23 LEU A 64 6.012 8.320 -11.650 1.00 71.45 H new ATOM 1013 N GLU A 65 8.826 13.068 -9.903 1.00 22.32 N ATOM 1014 CA GLU A 65 9.737 13.801 -9.006 1.00 51.24 C ATOM 1015 C GLU A 65 9.034 14.998 -8.348 1.00 61.11 C ATOM 1016 O GLU A 65 9.304 15.322 -7.188 1.00 33.42 O ATOM 1017 CB GLU A 65 10.970 14.275 -9.805 1.00 32.02 C ATOM 1018 CG GLU A 65 11.670 13.159 -10.602 1.00 44.13 C ATOM 1019 CD GLU A 65 12.871 13.673 -11.401 1.00 42.13 C ATOM 1020 OE1 GLU A 65 12.655 14.331 -12.441 1.00 64.10 O ATOM 1021 OE2 GLU A 65 14.032 13.435 -10.994 1.00 72.55 O ATOM 0 H GLU A 65 9.110 13.104 -10.882 1.00 22.32 H new ATOM 0 HA GLU A 65 10.054 13.128 -8.209 1.00 51.24 H new ATOM 0 HB2 GLU A 65 10.662 15.061 -10.495 1.00 32.02 H new ATOM 0 HB3 GLU A 65 11.688 14.719 -9.115 1.00 32.02 H new ATOM 0 HG2 GLU A 65 12.001 12.380 -9.915 1.00 44.13 H new ATOM 0 HG3 GLU A 65 10.954 12.700 -11.284 1.00 44.13 H new ATOM 1028 N GLN A 66 8.127 15.641 -9.109 1.00 53.52 N ATOM 1029 CA GLN A 66 7.315 16.769 -8.619 1.00 52.42 C ATOM 1030 C GLN A 66 6.323 16.274 -7.547 1.00 24.05 C ATOM 1031 O GLN A 66 6.116 16.938 -6.530 1.00 52.42 O ATOM 1032 CB GLN A 66 6.556 17.445 -9.794 1.00 71.30 C ATOM 1033 CG GLN A 66 5.798 18.737 -9.404 1.00 31.42 C ATOM 1034 CD GLN A 66 4.976 19.345 -10.545 1.00 14.12 C ATOM 1035 OE1 GLN A 66 5.291 19.184 -11.719 1.00 72.31 O ATOM 1036 NE2 GLN A 66 3.933 20.080 -10.203 1.00 5.10 N ATOM 0 H GLN A 66 7.938 15.392 -10.080 1.00 53.52 H new ATOM 0 HA GLN A 66 7.976 17.511 -8.171 1.00 52.42 H new ATOM 0 HB2 GLN A 66 7.269 17.681 -10.584 1.00 71.30 H new ATOM 0 HB3 GLN A 66 5.844 16.732 -10.210 1.00 71.30 H new ATOM 0 HG2 GLN A 66 5.134 18.518 -8.568 1.00 31.42 H new ATOM 0 HG3 GLN A 66 6.518 19.477 -9.054 1.00 31.42 H new ATOM 0 HE21 GLN A 66 3.693 20.198 -9.219 1.00 5.10 H new ATOM 0 HE22 GLN A 66 3.368 20.530 -10.923 1.00 5.10 H new ATOM 1045 N MET A 67 5.749 15.077 -7.789 1.00 54.25 N ATOM 1046 CA MET A 67 4.805 14.422 -6.856 1.00 32.44 C ATOM 1047 C MET A 67 5.518 14.037 -5.537 1.00 34.44 C ATOM 1048 O MET A 67 4.931 14.159 -4.459 1.00 64.03 O ATOM 1049 CB MET A 67 4.158 13.175 -7.523 1.00 15.00 C ATOM 1050 CG MET A 67 3.289 13.490 -8.752 1.00 12.23 C ATOM 1051 SD MET A 67 1.864 14.520 -8.341 1.00 55.44 S ATOM 1052 CE MET A 67 1.154 14.854 -9.949 1.00 12.20 C ATOM 0 H MET A 67 5.926 14.537 -8.636 1.00 54.25 H new ATOM 0 HA MET A 67 4.011 15.129 -6.615 1.00 32.44 H new ATOM 0 HB2 MET A 67 4.949 12.486 -7.819 1.00 15.00 H new ATOM 0 HB3 MET A 67 3.546 12.659 -6.783 1.00 15.00 H new ATOM 0 HG2 MET A 67 3.896 13.997 -9.503 1.00 12.23 H new ATOM 0 HG3 MET A 67 2.943 12.557 -9.198 1.00 12.23 H new ATOM 0 HE1 MET A 67 0.472 15.701 -9.877 1.00 12.20 H new ATOM 0 HE2 MET A 67 1.950 15.087 -10.657 1.00 12.20 H new ATOM 0 HE3 MET A 67 0.607 13.977 -10.295 1.00 12.20 H new ATOM 1062 N ILE A 68 6.793 13.595 -5.658 1.00 63.42 N ATOM 1063 CA ILE A 68 7.674 13.266 -4.513 1.00 44.33 C ATOM 1064 C ILE A 68 7.902 14.510 -3.635 1.00 63.11 C ATOM 1065 O ILE A 68 7.644 14.484 -2.430 1.00 64.01 O ATOM 1066 CB ILE A 68 9.074 12.703 -5.010 1.00 15.31 C ATOM 1067 CG1 ILE A 68 8.901 11.349 -5.769 1.00 75.44 C ATOM 1068 CG2 ILE A 68 10.090 12.550 -3.848 1.00 42.12 C ATOM 1069 CD1 ILE A 68 10.176 10.811 -6.410 1.00 72.11 C ATOM 0 H ILE A 68 7.243 13.456 -6.563 1.00 63.42 H new ATOM 0 HA ILE A 68 7.178 12.494 -3.925 1.00 44.33 H new ATOM 0 HB ILE A 68 9.480 13.439 -5.704 1.00 15.31 H new ATOM 0 HG12 ILE A 68 8.518 10.604 -5.072 1.00 75.44 H new ATOM 0 HG13 ILE A 68 8.146 11.477 -6.545 1.00 75.44 H new ATOM 0 HG21 ILE A 68 11.032 12.162 -4.237 1.00 42.12 H new ATOM 0 HG22 ILE A 68 10.261 13.521 -3.384 1.00 42.12 H new ATOM 0 HG23 ILE A 68 9.692 11.859 -3.105 1.00 42.12 H new ATOM 0 HD11 ILE A 68 9.960 9.869 -6.914 1.00 72.11 H new ATOM 0 HD12 ILE A 68 10.551 11.533 -7.135 1.00 72.11 H new ATOM 0 HD13 ILE A 68 10.929 10.646 -5.639 1.00 72.11 H new ATOM 1081 N SER A 69 8.356 15.600 -4.278 1.00 24.44 N ATOM 1082 CA SER A 69 8.714 16.856 -3.600 1.00 60.44 C ATOM 1083 C SER A 69 7.488 17.526 -2.954 1.00 42.54 C ATOM 1084 O SER A 69 7.609 18.174 -1.912 1.00 34.33 O ATOM 1085 CB SER A 69 9.375 17.812 -4.612 1.00 1.01 C ATOM 1086 OG SER A 69 10.481 17.199 -5.259 1.00 10.34 O ATOM 0 H SER A 69 8.485 15.633 -5.289 1.00 24.44 H new ATOM 0 HA SER A 69 9.416 16.624 -2.799 1.00 60.44 H new ATOM 0 HB2 SER A 69 8.641 18.120 -5.357 1.00 1.01 H new ATOM 0 HB3 SER A 69 9.706 18.715 -4.099 1.00 1.01 H new ATOM 0 HG SER A 69 10.156 16.565 -5.932 1.00 10.34 H new ATOM 1092 N GLN A 70 6.308 17.341 -3.586 1.00 25.43 N ATOM 1093 CA GLN A 70 5.042 17.914 -3.112 1.00 51.12 C ATOM 1094 C GLN A 70 4.620 17.212 -1.820 1.00 44.11 C ATOM 1095 O GLN A 70 4.423 17.865 -0.796 1.00 22.21 O ATOM 1096 CB GLN A 70 3.944 17.775 -4.213 1.00 32.13 C ATOM 1097 CG GLN A 70 2.642 18.602 -3.993 1.00 23.41 C ATOM 1098 CD GLN A 70 1.667 18.074 -2.923 1.00 65.42 C ATOM 1099 OE1 GLN A 70 0.981 18.854 -2.261 1.00 34.43 O ATOM 1100 NE2 GLN A 70 1.560 16.761 -2.769 1.00 15.43 N ATOM 0 H GLN A 70 6.213 16.789 -4.439 1.00 25.43 H new ATOM 0 HA GLN A 70 5.174 18.976 -2.904 1.00 51.12 H new ATOM 0 HB2 GLN A 70 4.378 18.067 -5.169 1.00 32.13 H new ATOM 0 HB3 GLN A 70 3.672 16.723 -4.295 1.00 32.13 H new ATOM 0 HG2 GLN A 70 2.925 19.620 -3.725 1.00 23.41 H new ATOM 0 HG3 GLN A 70 2.109 18.659 -4.942 1.00 23.41 H new ATOM 0 HE21 GLN A 70 2.138 16.133 -3.328 1.00 15.43 H new ATOM 0 HE22 GLN A 70 0.900 16.379 -2.092 1.00 15.43 H new ATOM 1109 N ILE A 71 4.509 15.868 -1.885 1.00 0.43 N ATOM 1110 CA ILE A 71 4.013 15.058 -0.756 1.00 44.21 C ATOM 1111 C ILE A 71 4.988 15.093 0.437 1.00 3.15 C ATOM 1112 O ILE A 71 4.574 14.959 1.594 1.00 1.04 O ATOM 1113 CB ILE A 71 3.699 13.572 -1.169 1.00 35.14 C ATOM 1114 CG1 ILE A 71 2.864 12.869 -0.046 1.00 33.14 C ATOM 1115 CG2 ILE A 71 4.983 12.777 -1.513 1.00 20.12 C ATOM 1116 CD1 ILE A 71 2.593 11.405 -0.275 1.00 42.13 C ATOM 0 H ILE A 71 4.757 15.322 -2.710 1.00 0.43 H new ATOM 0 HA ILE A 71 3.072 15.513 -0.446 1.00 44.21 H new ATOM 0 HB ILE A 71 3.103 13.594 -2.081 1.00 35.14 H new ATOM 0 HG12 ILE A 71 3.391 12.982 0.902 1.00 33.14 H new ATOM 0 HG13 ILE A 71 1.911 13.388 0.056 1.00 33.14 H new ATOM 0 HG21 ILE A 71 4.716 11.758 -1.792 1.00 20.12 H new ATOM 0 HG22 ILE A 71 5.497 13.258 -2.345 1.00 20.12 H new ATOM 0 HG23 ILE A 71 5.641 12.755 -0.644 1.00 20.12 H new ATOM 0 HD11 ILE A 71 2.009 11.009 0.556 1.00 42.13 H new ATOM 0 HD12 ILE A 71 2.035 11.279 -1.203 1.00 42.13 H new ATOM 0 HD13 ILE A 71 3.538 10.866 -0.344 1.00 42.13 H new ATOM 1128 N ASP A 72 6.281 15.292 0.128 1.00 52.33 N ATOM 1129 CA ASP A 72 7.347 15.397 1.126 1.00 3.13 C ATOM 1130 C ASP A 72 7.095 16.567 2.107 1.00 62.23 C ATOM 1131 O ASP A 72 7.446 16.487 3.288 1.00 13.50 O ATOM 1132 CB ASP A 72 8.712 15.552 0.413 1.00 73.13 C ATOM 1133 CG ASP A 72 9.895 15.713 1.381 1.00 22.32 C ATOM 1134 OD1 ASP A 72 10.130 14.799 2.192 1.00 53.31 O ATOM 1135 OD2 ASP A 72 10.585 16.760 1.344 1.00 32.32 O ATOM 0 H ASP A 72 6.613 15.385 -0.832 1.00 52.33 H new ATOM 0 HA ASP A 72 7.358 14.482 1.719 1.00 3.13 H new ATOM 0 HB2 ASP A 72 8.885 14.680 -0.217 1.00 73.13 H new ATOM 0 HB3 ASP A 72 8.672 16.419 -0.247 1.00 73.13 H new ATOM 1140 N LYS A 73 6.448 17.635 1.597 1.00 51.24 N ATOM 1141 CA LYS A 73 6.112 18.843 2.378 1.00 55.43 C ATOM 1142 C LYS A 73 5.009 18.566 3.423 1.00 62.33 C ATOM 1143 O LYS A 73 4.891 19.293 4.413 1.00 62.24 O ATOM 1144 CB LYS A 73 5.654 19.976 1.428 1.00 1.21 C ATOM 1145 CG LYS A 73 6.689 20.367 0.348 1.00 43.33 C ATOM 1146 CD LYS A 73 6.173 21.481 -0.595 1.00 22.24 C ATOM 1147 CE LYS A 73 5.861 22.786 0.154 1.00 33.51 C ATOM 1148 NZ LYS A 73 5.380 23.861 -0.757 1.00 13.44 N ATOM 0 H LYS A 73 6.142 17.684 0.625 1.00 51.24 H new ATOM 0 HA LYS A 73 7.011 19.148 2.913 1.00 55.43 H new ATOM 0 HB2 LYS A 73 4.732 19.668 0.935 1.00 1.21 H new ATOM 0 HB3 LYS A 73 5.418 20.858 2.023 1.00 1.21 H new ATOM 0 HG2 LYS A 73 7.606 20.702 0.833 1.00 43.33 H new ATOM 0 HG3 LYS A 73 6.944 19.486 -0.241 1.00 43.33 H new ATOM 0 HD2 LYS A 73 6.920 21.677 -1.364 1.00 22.24 H new ATOM 0 HD3 LYS A 73 5.274 21.134 -1.105 1.00 22.24 H new ATOM 0 HE2 LYS A 73 5.105 22.593 0.915 1.00 33.51 H new ATOM 0 HE3 LYS A 73 6.757 23.127 0.673 1.00 33.51 H new ATOM 0 HZ1 LYS A 73 5.183 24.721 -0.206 1.00 13.44 H new ATOM 0 HZ2 LYS A 73 6.110 24.066 -1.468 1.00 13.44 H new ATOM 0 HZ3 LYS A 73 4.510 23.549 -1.234 1.00 13.44 H new ATOM 1162 N LEU A 74 4.204 17.518 3.184 1.00 42.44 N ATOM 1163 CA LEU A 74 3.079 17.142 4.058 1.00 25.40 C ATOM 1164 C LEU A 74 3.587 16.417 5.311 1.00 31.42 C ATOM 1165 O LEU A 74 4.608 15.721 5.271 1.00 1.24 O ATOM 1166 CB LEU A 74 2.044 16.253 3.292 1.00 61.22 C ATOM 1167 CG LEU A 74 1.113 16.989 2.268 1.00 60.30 C ATOM 1168 CD1 LEU A 74 0.302 18.105 2.952 1.00 41.10 C ATOM 1169 CD2 LEU A 74 1.897 17.543 1.067 1.00 4.00 C ATOM 0 H LEU A 74 4.315 16.905 2.376 1.00 42.44 H new ATOM 0 HA LEU A 74 2.574 18.057 4.368 1.00 25.40 H new ATOM 0 HB2 LEU A 74 2.591 15.476 2.758 1.00 61.22 H new ATOM 0 HB3 LEU A 74 1.414 15.752 4.027 1.00 61.22 H new ATOM 0 HG LEU A 74 0.415 16.244 1.885 1.00 60.30 H new ATOM 0 HD11 LEU A 74 -0.334 18.596 2.216 1.00 41.10 H new ATOM 0 HD12 LEU A 74 -0.319 17.674 3.738 1.00 41.10 H new ATOM 0 HD13 LEU A 74 0.984 18.835 3.388 1.00 41.10 H new ATOM 0 HD21 LEU A 74 1.211 18.044 0.384 1.00 4.00 H new ATOM 0 HD22 LEU A 74 2.645 18.255 1.417 1.00 4.00 H new ATOM 0 HD23 LEU A 74 2.392 16.723 0.546 1.00 4.00 H new ATOM 1181 N GLU A 75 2.825 16.568 6.406 1.00 72.43 N ATOM 1182 CA GLU A 75 3.133 15.977 7.727 1.00 41.30 C ATOM 1183 C GLU A 75 3.020 14.439 7.714 1.00 11.04 C ATOM 1184 O GLU A 75 3.425 13.773 8.679 1.00 60.11 O ATOM 1185 CB GLU A 75 2.178 16.584 8.783 1.00 52.03 C ATOM 1186 CG GLU A 75 2.301 18.117 8.921 1.00 73.13 C ATOM 1187 CD GLU A 75 1.251 18.723 9.865 1.00 42.21 C ATOM 1188 OE1 GLU A 75 1.426 18.647 11.099 1.00 15.13 O ATOM 1189 OE2 GLU A 75 0.221 19.247 9.382 1.00 43.33 O ATOM 0 H GLU A 75 1.962 17.112 6.403 1.00 72.43 H new ATOM 0 HA GLU A 75 4.167 16.214 7.979 1.00 41.30 H new ATOM 0 HB2 GLU A 75 1.151 16.333 8.518 1.00 52.03 H new ATOM 0 HB3 GLU A 75 2.380 16.123 9.750 1.00 52.03 H new ATOM 0 HG2 GLU A 75 3.297 18.364 9.288 1.00 73.13 H new ATOM 0 HG3 GLU A 75 2.202 18.574 7.936 1.00 73.13 H new ATOM 1196 N ASP A 76 2.434 13.906 6.626 1.00 50.33 N ATOM 1197 CA ASP A 76 2.374 12.467 6.349 1.00 55.22 C ATOM 1198 C ASP A 76 3.796 11.902 6.183 1.00 62.32 C ATOM 1199 O ASP A 76 4.214 11.013 6.925 1.00 74.00 O ATOM 1200 CB ASP A 76 1.552 12.219 5.046 1.00 54.03 C ATOM 1201 CG ASP A 76 0.136 12.817 5.093 1.00 44.14 C ATOM 1202 OD1 ASP A 76 -0.002 14.041 4.879 1.00 50.54 O ATOM 1203 OD2 ASP A 76 -0.843 12.078 5.326 1.00 21.33 O ATOM 0 H ASP A 76 1.984 14.474 5.908 1.00 50.33 H new ATOM 0 HA ASP A 76 1.889 11.963 7.185 1.00 55.22 H new ATOM 0 HB2 ASP A 76 2.090 12.645 4.199 1.00 54.03 H new ATOM 0 HB3 ASP A 76 1.479 11.146 4.870 1.00 54.03 H new ATOM 1208 N VAL A 77 4.553 12.503 5.245 1.00 42.32 N ATOM 1209 CA VAL A 77 5.919 12.080 4.920 1.00 54.22 C ATOM 1210 C VAL A 77 6.917 12.720 5.907 1.00 40.12 C ATOM 1211 O VAL A 77 7.157 13.930 5.880 1.00 43.24 O ATOM 1212 CB VAL A 77 6.280 12.430 3.421 1.00 51.23 C ATOM 1213 CG1 VAL A 77 7.781 12.221 3.112 1.00 0.43 C ATOM 1214 CG2 VAL A 77 5.423 11.590 2.445 1.00 43.00 C ATOM 0 H VAL A 77 4.229 13.297 4.693 1.00 42.32 H new ATOM 0 HA VAL A 77 5.985 10.997 5.022 1.00 54.22 H new ATOM 0 HB VAL A 77 6.059 13.488 3.283 1.00 51.23 H new ATOM 0 HG11 VAL A 77 7.977 12.475 2.070 1.00 0.43 H new ATOM 0 HG12 VAL A 77 8.379 12.862 3.760 1.00 0.43 H new ATOM 0 HG13 VAL A 77 8.047 11.179 3.287 1.00 0.43 H new ATOM 0 HG21 VAL A 77 5.686 11.845 1.418 1.00 43.00 H new ATOM 0 HG22 VAL A 77 5.611 10.530 2.615 1.00 43.00 H new ATOM 0 HG23 VAL A 77 4.367 11.802 2.613 1.00 43.00 H new ATOM 1224 N VAL A 78 7.438 11.880 6.812 1.00 71.12 N ATOM 1225 CA VAL A 78 8.486 12.254 7.787 1.00 51.45 C ATOM 1226 C VAL A 78 9.858 12.317 7.082 1.00 44.42 C ATOM 1227 O VAL A 78 10.654 13.236 7.304 1.00 41.01 O ATOM 1228 CB VAL A 78 8.544 11.214 8.977 1.00 61.22 C ATOM 1229 CG1 VAL A 78 9.466 11.688 10.122 1.00 30.12 C ATOM 1230 CG2 VAL A 78 7.128 10.898 9.505 1.00 54.44 C ATOM 0 H VAL A 78 7.143 10.907 6.893 1.00 71.12 H new ATOM 0 HA VAL A 78 8.241 13.234 8.196 1.00 51.45 H new ATOM 0 HB VAL A 78 8.975 10.296 8.577 1.00 61.22 H new ATOM 0 HG11 VAL A 78 9.474 10.941 10.916 1.00 30.12 H new ATOM 0 HG12 VAL A 78 10.478 11.823 9.742 1.00 30.12 H new ATOM 0 HG13 VAL A 78 9.098 12.634 10.518 1.00 30.12 H new ATOM 0 HG21 VAL A 78 7.196 10.180 10.323 1.00 54.44 H new ATOM 0 HG22 VAL A 78 6.661 11.815 9.865 1.00 54.44 H new ATOM 0 HG23 VAL A 78 6.526 10.475 8.701 1.00 54.44 H new ATOM 1240 N LYS A 79 10.114 11.299 6.237 1.00 70.11 N ATOM 1241 CA LYS A 79 11.340 11.169 5.421 1.00 61.52 C ATOM 1242 C LYS A 79 10.963 10.653 4.030 1.00 52.21 C ATOM 1243 O LYS A 79 9.962 9.948 3.891 1.00 23.32 O ATOM 1244 CB LYS A 79 12.353 10.169 6.056 1.00 51.52 C ATOM 1245 CG LYS A 79 12.903 10.576 7.432 1.00 50.35 C ATOM 1246 CD LYS A 79 13.857 9.513 8.030 1.00 61.54 C ATOM 1247 CE LYS A 79 14.526 9.985 9.331 1.00 5.44 C ATOM 1248 NZ LYS A 79 15.361 11.203 9.132 1.00 72.53 N ATOM 0 H LYS A 79 9.461 10.527 6.099 1.00 70.11 H new ATOM 0 HA LYS A 79 11.809 12.151 5.365 1.00 61.52 H new ATOM 0 HB2 LYS A 79 11.869 9.197 6.150 1.00 51.52 H new ATOM 0 HB3 LYS A 79 13.191 10.043 5.371 1.00 51.52 H new ATOM 0 HG2 LYS A 79 13.433 11.524 7.341 1.00 50.35 H new ATOM 0 HG3 LYS A 79 12.072 10.739 8.118 1.00 50.35 H new ATOM 0 HD2 LYS A 79 13.299 8.597 8.224 1.00 61.54 H new ATOM 0 HD3 LYS A 79 14.627 9.268 7.298 1.00 61.54 H new ATOM 0 HE2 LYS A 79 13.758 10.192 10.076 1.00 5.44 H new ATOM 0 HE3 LYS A 79 15.148 9.183 9.728 1.00 5.44 H new ATOM 0 HZ1 LYS A 79 15.959 11.354 9.969 1.00 72.53 H new ATOM 0 HZ2 LYS A 79 15.964 11.077 8.294 1.00 72.53 H new ATOM 0 HZ3 LYS A 79 14.744 12.028 8.994 1.00 72.53 H new ATOM 1262 N VAL A 80 11.764 10.996 3.014 1.00 72.12 N ATOM 1263 CA VAL A 80 11.626 10.431 1.651 1.00 1.21 C ATOM 1264 C VAL A 80 13.017 10.018 1.121 1.00 74.23 C ATOM 1265 O VAL A 80 14.030 10.643 1.465 1.00 42.54 O ATOM 1266 CB VAL A 80 10.919 11.441 0.657 1.00 64.43 C ATOM 1267 CG1 VAL A 80 11.820 12.652 0.304 1.00 50.33 C ATOM 1268 CG2 VAL A 80 10.403 10.717 -0.614 1.00 3.33 C ATOM 0 H VAL A 80 12.525 11.669 3.105 1.00 72.12 H new ATOM 0 HA VAL A 80 10.985 9.551 1.711 1.00 1.21 H new ATOM 0 HB VAL A 80 10.052 11.844 1.180 1.00 64.43 H new ATOM 0 HG11 VAL A 80 11.289 13.314 -0.380 1.00 50.33 H new ATOM 0 HG12 VAL A 80 12.071 13.197 1.214 1.00 50.33 H new ATOM 0 HG13 VAL A 80 12.735 12.298 -0.171 1.00 50.33 H new ATOM 0 HG21 VAL A 80 9.923 11.439 -1.275 1.00 3.33 H new ATOM 0 HG22 VAL A 80 11.241 10.251 -1.133 1.00 3.33 H new ATOM 0 HG23 VAL A 80 9.682 9.951 -0.329 1.00 3.33 H new ATOM 1278 N GLN A 81 13.061 8.951 0.311 1.00 55.24 N ATOM 1279 CA GLN A 81 14.298 8.438 -0.300 1.00 5.50 C ATOM 1280 C GLN A 81 13.962 7.783 -1.650 1.00 24.44 C ATOM 1281 O GLN A 81 12.926 7.124 -1.784 1.00 0.43 O ATOM 1282 CB GLN A 81 14.989 7.419 0.658 1.00 34.24 C ATOM 1283 CG GLN A 81 16.341 6.856 0.165 1.00 15.43 C ATOM 1284 CD GLN A 81 17.407 7.937 -0.056 1.00 13.11 C ATOM 1285 OE1 GLN A 81 17.542 8.488 -1.151 1.00 1.51 O ATOM 1286 NE2 GLN A 81 18.162 8.257 0.980 1.00 51.03 N ATOM 0 H GLN A 81 12.232 8.414 0.058 1.00 55.24 H new ATOM 0 HA GLN A 81 14.992 9.261 -0.470 1.00 5.50 H new ATOM 0 HB2 GLN A 81 15.146 7.902 1.622 1.00 34.24 H new ATOM 0 HB3 GLN A 81 14.307 6.585 0.826 1.00 34.24 H new ATOM 0 HG2 GLN A 81 16.712 6.134 0.892 1.00 15.43 H new ATOM 0 HG3 GLN A 81 16.183 6.316 -0.769 1.00 15.43 H new ATOM 0 HE21 GLN A 81 18.028 7.785 1.874 1.00 51.03 H new ATOM 0 HE22 GLN A 81 18.879 8.977 0.886 1.00 51.03 H new ATOM 1295 N ARG A 82 14.834 7.985 -2.650 1.00 21.34 N ATOM 1296 CA ARG A 82 14.666 7.435 -4.004 1.00 62.43 C ATOM 1297 C ARG A 82 15.706 6.322 -4.235 1.00 55.14 C ATOM 1298 O ARG A 82 16.889 6.600 -4.455 1.00 13.31 O ATOM 1299 CB ARG A 82 14.808 8.572 -5.052 1.00 41.33 C ATOM 1300 CG ARG A 82 13.757 9.701 -4.903 1.00 24.43 C ATOM 1301 CD ARG A 82 14.012 10.884 -5.851 1.00 30.22 C ATOM 1302 NE ARG A 82 14.023 10.483 -7.269 1.00 65.34 N ATOM 1303 CZ ARG A 82 14.096 11.325 -8.311 1.00 50.24 C ATOM 1304 NH1 ARG A 82 14.163 12.645 -8.127 1.00 3.51 N ATOM 1305 NH2 ARG A 82 14.119 10.840 -9.544 1.00 62.32 N ATOM 0 H ARG A 82 15.683 8.540 -2.540 1.00 21.34 H new ATOM 0 HA ARG A 82 13.672 7.002 -4.112 1.00 62.43 H new ATOM 0 HB2 ARG A 82 15.805 9.005 -4.971 1.00 41.33 H new ATOM 0 HB3 ARG A 82 14.727 8.144 -6.051 1.00 41.33 H new ATOM 0 HG2 ARG A 82 12.764 9.294 -5.096 1.00 24.43 H new ATOM 0 HG3 ARG A 82 13.760 10.060 -3.874 1.00 24.43 H new ATOM 0 HD2 ARG A 82 13.242 11.640 -5.697 1.00 30.22 H new ATOM 0 HD3 ARG A 82 14.967 11.346 -5.601 1.00 30.22 H new ATOM 0 HE ARG A 82 13.971 9.485 -7.475 1.00 65.34 H new ATOM 0 HH11 ARG A 82 14.159 13.029 -7.182 1.00 3.51 H new ATOM 0 HH12 ARG A 82 14.218 13.270 -8.931 1.00 3.51 H new ATOM 0 HH21 ARG A 82 14.081 9.832 -9.696 1.00 62.32 H new ATOM 0 HH22 ARG A 82 14.174 11.475 -10.341 1.00 62.32 H new ATOM 1319 N ASN A 83 15.251 5.067 -4.135 1.00 31.05 N ATOM 1320 CA ASN A 83 16.088 3.853 -4.292 1.00 71.54 C ATOM 1321 C ASN A 83 15.785 3.159 -5.631 1.00 22.31 C ATOM 1322 O ASN A 83 14.697 3.318 -6.192 1.00 0.41 O ATOM 1323 CB ASN A 83 15.845 2.854 -3.118 1.00 74.12 C ATOM 1324 CG ASN A 83 16.292 3.385 -1.755 1.00 54.20 C ATOM 1325 OD1 ASN A 83 17.229 4.179 -1.654 1.00 22.21 O ATOM 1326 ND2 ASN A 83 15.638 2.940 -0.692 1.00 10.55 N ATOM 0 H ASN A 83 14.273 4.854 -3.939 1.00 31.05 H new ATOM 0 HA ASN A 83 17.133 4.164 -4.278 1.00 71.54 H new ATOM 0 HB2 ASN A 83 14.783 2.612 -3.073 1.00 74.12 H new ATOM 0 HB3 ASN A 83 16.375 1.925 -3.328 1.00 74.12 H new ATOM 0 HD21 ASN A 83 15.906 3.254 0.240 1.00 10.55 H new ATOM 0 HD22 ASN A 83 14.866 2.283 -0.806 1.00 10.55 H new ATOM 1333 N GLN A 84 16.776 2.415 -6.146 1.00 51.31 N ATOM 1334 CA GLN A 84 16.630 1.563 -7.347 1.00 72.33 C ATOM 1335 C GLN A 84 16.145 0.162 -6.926 1.00 24.13 C ATOM 1336 O GLN A 84 16.397 -0.271 -5.791 1.00 12.03 O ATOM 1337 CB GLN A 84 17.974 1.476 -8.116 1.00 41.52 C ATOM 1338 CG GLN A 84 18.506 2.847 -8.590 1.00 63.10 C ATOM 1339 CD GLN A 84 19.803 2.761 -9.405 1.00 21.00 C ATOM 1340 OE1 GLN A 84 20.054 1.771 -10.096 1.00 62.11 O ATOM 1341 NE2 GLN A 84 20.626 3.795 -9.347 1.00 25.31 N ATOM 0 H GLN A 84 17.711 2.384 -5.740 1.00 51.31 H new ATOM 0 HA GLN A 84 15.891 2.005 -8.016 1.00 72.33 H new ATOM 0 HB2 GLN A 84 18.721 1.008 -7.474 1.00 41.52 H new ATOM 0 HB3 GLN A 84 17.846 0.826 -8.982 1.00 41.52 H new ATOM 0 HG2 GLN A 84 17.740 3.334 -9.194 1.00 63.10 H new ATOM 0 HG3 GLN A 84 18.676 3.481 -7.720 1.00 63.10 H new ATOM 0 HE21 GLN A 84 20.393 4.601 -8.767 1.00 25.31 H new ATOM 0 HE22 GLN A 84 21.494 3.787 -9.883 1.00 25.31 H new ATOM 1350 N SER A 85 15.429 -0.527 -7.835 1.00 11.01 N ATOM 1351 CA SER A 85 14.751 -1.803 -7.532 1.00 32.23 C ATOM 1352 C SER A 85 15.707 -3.004 -7.483 1.00 61.53 C ATOM 1353 O SER A 85 16.780 -2.998 -8.101 1.00 43.31 O ATOM 1354 CB SER A 85 13.594 -2.025 -8.523 1.00 11.43 C ATOM 1355 OG SER A 85 12.904 -3.248 -8.295 1.00 3.21 O ATOM 0 H SER A 85 15.304 -0.216 -8.798 1.00 11.01 H new ATOM 0 HA SER A 85 14.344 -1.727 -6.524 1.00 32.23 H new ATOM 0 HB2 SER A 85 12.891 -1.196 -8.446 1.00 11.43 H new ATOM 0 HB3 SER A 85 13.986 -2.017 -9.540 1.00 11.43 H new ATOM 0 HG SER A 85 13.254 -3.938 -8.896 1.00 3.21 H new ATOM 1361 N ASP A 86 15.275 -4.026 -6.714 1.00 73.44 N ATOM 1362 CA ASP A 86 16.059 -5.228 -6.403 1.00 12.30 C ATOM 1363 C ASP A 86 15.092 -6.431 -6.225 1.00 34.33 C ATOM 1364 O ASP A 86 14.107 -6.313 -5.483 1.00 34.50 O ATOM 1365 CB ASP A 86 16.887 -4.970 -5.114 1.00 1.12 C ATOM 1366 CG ASP A 86 17.691 -6.191 -4.632 1.00 51.43 C ATOM 1367 OD1 ASP A 86 18.709 -6.527 -5.259 1.00 62.14 O ATOM 1368 OD2 ASP A 86 17.305 -6.820 -3.628 1.00 54.54 O ATOM 0 H ASP A 86 14.350 -4.033 -6.285 1.00 73.44 H new ATOM 0 HA ASP A 86 16.749 -5.461 -7.214 1.00 12.30 H new ATOM 0 HB2 ASP A 86 17.574 -4.144 -5.295 1.00 1.12 H new ATOM 0 HB3 ASP A 86 16.212 -4.655 -4.318 1.00 1.12 H new ATOM 1373 N PRO A 87 15.332 -7.594 -6.921 1.00 44.10 N ATOM 1374 CA PRO A 87 14.445 -8.799 -6.847 1.00 72.20 C ATOM 1375 C PRO A 87 14.257 -9.372 -5.419 1.00 52.01 C ATOM 1376 O PRO A 87 13.157 -9.804 -5.058 1.00 1.52 O ATOM 1377 CB PRO A 87 15.155 -9.832 -7.768 1.00 5.31 C ATOM 1378 CG PRO A 87 15.988 -8.999 -8.700 1.00 72.21 C ATOM 1379 CD PRO A 87 16.452 -7.815 -7.877 1.00 42.32 C ATOM 0 HA PRO A 87 13.430 -8.548 -7.153 1.00 72.20 H new ATOM 0 HB2 PRO A 87 15.773 -10.519 -7.190 1.00 5.31 H new ATOM 0 HB3 PRO A 87 14.433 -10.437 -8.316 1.00 5.31 H new ATOM 0 HG2 PRO A 87 16.836 -9.567 -9.083 1.00 72.21 H new ATOM 0 HG3 PRO A 87 15.406 -8.674 -9.562 1.00 72.21 H new ATOM 0 HD2 PRO A 87 17.386 -8.029 -7.358 1.00 42.32 H new ATOM 0 HD3 PRO A 87 16.627 -6.938 -8.500 1.00 42.32 H new ATOM 1387 N THR A 88 15.345 -9.378 -4.622 1.00 51.12 N ATOM 1388 CA THR A 88 15.348 -9.972 -3.263 1.00 75.11 C ATOM 1389 C THR A 88 14.978 -8.950 -2.173 1.00 10.14 C ATOM 1390 O THR A 88 14.905 -9.327 -1.002 1.00 40.02 O ATOM 1391 CB THR A 88 16.731 -10.642 -2.932 1.00 0.14 C ATOM 1392 OG1 THR A 88 17.794 -9.681 -3.025 1.00 41.42 O ATOM 1393 CG2 THR A 88 17.028 -11.832 -3.871 1.00 11.42 C ATOM 0 H THR A 88 16.241 -8.975 -4.896 1.00 51.12 H new ATOM 0 HA THR A 88 14.578 -10.743 -3.266 1.00 75.11 H new ATOM 0 HB THR A 88 16.670 -11.018 -1.911 1.00 0.14 H new ATOM 0 HG1 THR A 88 17.422 -8.802 -3.248 1.00 41.42 H new ATOM 0 HG21 THR A 88 17.992 -12.269 -3.611 1.00 11.42 H new ATOM 0 HG22 THR A 88 16.247 -12.585 -3.762 1.00 11.42 H new ATOM 0 HG23 THR A 88 17.054 -11.483 -4.903 1.00 11.42 H new ATOM 1401 N MET A 89 14.736 -7.673 -2.569 1.00 24.50 N ATOM 1402 CA MET A 89 14.403 -6.566 -1.635 1.00 73.53 C ATOM 1403 C MET A 89 13.208 -6.917 -0.722 1.00 44.33 C ATOM 1404 O MET A 89 13.244 -6.626 0.483 1.00 11.33 O ATOM 1405 CB MET A 89 14.108 -5.258 -2.419 1.00 23.42 C ATOM 1406 CG MET A 89 13.706 -4.056 -1.538 1.00 13.45 C ATOM 1407 SD MET A 89 14.931 -3.706 -0.253 1.00 43.42 S ATOM 1408 CE MET A 89 14.132 -2.399 0.679 1.00 61.30 C ATOM 0 H MET A 89 14.766 -7.382 -3.546 1.00 24.50 H new ATOM 0 HA MET A 89 15.274 -6.413 -0.997 1.00 73.53 H new ATOM 0 HB2 MET A 89 14.993 -4.989 -2.996 1.00 23.42 H new ATOM 0 HB3 MET A 89 13.308 -5.451 -3.134 1.00 23.42 H new ATOM 0 HG2 MET A 89 13.580 -3.174 -2.166 1.00 13.45 H new ATOM 0 HG3 MET A 89 12.741 -4.256 -1.072 1.00 13.45 H new ATOM 0 HE1 MET A 89 14.779 -2.090 1.500 1.00 61.30 H new ATOM 0 HE2 MET A 89 13.945 -1.548 0.025 1.00 61.30 H new ATOM 0 HE3 MET A 89 13.186 -2.764 1.079 1.00 61.30 H new ATOM 1418 N PHE A 90 12.190 -7.585 -1.308 1.00 52.32 N ATOM 1419 CA PHE A 90 10.956 -7.974 -0.597 1.00 12.55 C ATOM 1420 C PHE A 90 11.299 -8.869 0.601 1.00 74.45 C ATOM 1421 O PHE A 90 11.040 -8.509 1.743 1.00 62.11 O ATOM 1422 CB PHE A 90 9.974 -8.720 -1.548 1.00 21.32 C ATOM 1423 CG PHE A 90 9.671 -7.986 -2.852 1.00 41.43 C ATOM 1424 CD1 PHE A 90 8.672 -7.015 -2.911 1.00 43.40 C ATOM 1425 CD2 PHE A 90 10.379 -8.280 -4.027 1.00 44.21 C ATOM 1426 CE1 PHE A 90 8.398 -6.358 -4.095 1.00 45.14 C ATOM 1427 CE2 PHE A 90 10.104 -7.620 -5.206 1.00 0.03 C ATOM 1428 CZ PHE A 90 9.111 -6.664 -5.240 1.00 23.43 C ATOM 0 H PHE A 90 12.203 -7.869 -2.288 1.00 52.32 H new ATOM 0 HA PHE A 90 10.468 -7.066 -0.243 1.00 12.55 H new ATOM 0 HB2 PHE A 90 10.392 -9.698 -1.786 1.00 21.32 H new ATOM 0 HB3 PHE A 90 9.037 -8.894 -1.018 1.00 21.32 H new ATOM 0 HD1 PHE A 90 8.107 -6.774 -2.023 1.00 43.40 H new ATOM 0 HD2 PHE A 90 11.151 -9.035 -4.008 1.00 44.21 H new ATOM 0 HE1 PHE A 90 7.625 -5.604 -4.127 1.00 45.14 H new ATOM 0 HE2 PHE A 90 10.664 -7.851 -6.100 1.00 0.03 H new ATOM 0 HZ PHE A 90 8.889 -6.152 -6.165 1.00 23.43 H new ATOM 1438 N ASN A 91 11.948 -10.006 0.301 1.00 1.24 N ATOM 1439 CA ASN A 91 12.389 -10.999 1.295 1.00 44.32 C ATOM 1440 C ASN A 91 13.395 -10.392 2.283 1.00 23.22 C ATOM 1441 O ASN A 91 13.410 -10.761 3.459 1.00 15.42 O ATOM 1442 CB ASN A 91 13.014 -12.214 0.561 1.00 0.53 C ATOM 1443 CG ASN A 91 13.650 -13.237 1.505 1.00 50.12 C ATOM 1444 OD1 ASN A 91 14.860 -13.237 1.722 1.00 41.25 O ATOM 1445 ND2 ASN A 91 12.837 -14.074 2.117 1.00 32.12 N ATOM 0 H ASN A 91 12.185 -10.266 -0.656 1.00 1.24 H new ATOM 0 HA ASN A 91 11.523 -11.326 1.871 1.00 44.32 H new ATOM 0 HB2 ASN A 91 12.242 -12.707 -0.030 1.00 0.53 H new ATOM 0 HB3 ASN A 91 13.771 -11.856 -0.137 1.00 0.53 H new ATOM 0 HD21 ASN A 91 13.208 -14.744 2.790 1.00 32.12 H new ATOM 0 HD22 ASN A 91 11.837 -14.051 1.917 1.00 32.12 H new ATOM 1452 N LYS A 92 14.202 -9.447 1.769 1.00 43.41 N ATOM 1453 CA LYS A 92 15.304 -8.805 2.503 1.00 72.32 C ATOM 1454 C LYS A 92 14.824 -8.170 3.818 1.00 53.12 C ATOM 1455 O LYS A 92 15.300 -8.554 4.883 1.00 20.00 O ATOM 1456 CB LYS A 92 15.977 -7.761 1.588 1.00 72.30 C ATOM 1457 CG LYS A 92 17.301 -7.165 2.102 1.00 52.05 C ATOM 1458 CD LYS A 92 17.983 -6.274 1.032 1.00 24.15 C ATOM 1459 CE LYS A 92 18.260 -7.045 -0.284 1.00 61.42 C ATOM 1460 NZ LYS A 92 18.922 -6.206 -1.318 1.00 34.22 N ATOM 0 H LYS A 92 14.104 -9.103 0.814 1.00 43.41 H new ATOM 0 HA LYS A 92 16.033 -9.567 2.779 1.00 72.32 H new ATOM 0 HB2 LYS A 92 16.162 -8.223 0.618 1.00 72.30 H new ATOM 0 HB3 LYS A 92 15.274 -6.945 1.423 1.00 72.30 H new ATOM 0 HG2 LYS A 92 17.111 -6.575 2.999 1.00 52.05 H new ATOM 0 HG3 LYS A 92 17.976 -7.971 2.388 1.00 52.05 H new ATOM 0 HD2 LYS A 92 17.348 -5.414 0.820 1.00 24.15 H new ATOM 0 HD3 LYS A 92 18.922 -5.887 1.429 1.00 24.15 H new ATOM 0 HE2 LYS A 92 18.888 -7.909 -0.068 1.00 61.42 H new ATOM 0 HE3 LYS A 92 17.319 -7.426 -0.681 1.00 61.42 H new ATOM 0 HZ1 LYS A 92 18.428 -6.320 -2.226 1.00 34.22 H new ATOM 0 HZ2 LYS A 92 18.889 -5.208 -1.029 1.00 34.22 H new ATOM 0 HZ3 LYS A 92 19.913 -6.503 -1.424 1.00 34.22 H new ATOM 1474 N ILE A 93 13.862 -7.225 3.756 1.00 11.33 N ATOM 1475 CA ILE A 93 13.351 -6.590 5.000 1.00 61.22 C ATOM 1476 C ILE A 93 12.295 -7.481 5.683 1.00 40.24 C ATOM 1477 O ILE A 93 12.165 -7.457 6.907 1.00 63.04 O ATOM 1478 CB ILE A 93 12.783 -5.129 4.799 1.00 34.14 C ATOM 1479 CG1 ILE A 93 11.403 -5.090 4.055 1.00 74.44 C ATOM 1480 CG2 ILE A 93 13.823 -4.237 4.074 1.00 1.43 C ATOM 1481 CD1 ILE A 93 11.447 -5.355 2.568 1.00 12.51 C ATOM 0 H ILE A 93 13.433 -6.891 2.893 1.00 11.33 H new ATOM 0 HA ILE A 93 14.222 -6.490 5.647 1.00 61.22 H new ATOM 0 HB ILE A 93 12.599 -4.732 5.797 1.00 34.14 H new ATOM 0 HG12 ILE A 93 10.743 -5.825 4.516 1.00 74.44 H new ATOM 0 HG13 ILE A 93 10.953 -4.111 4.217 1.00 74.44 H new ATOM 0 HG21 ILE A 93 13.415 -3.235 3.944 1.00 1.43 H new ATOM 0 HG22 ILE A 93 14.734 -4.183 4.669 1.00 1.43 H new ATOM 0 HG23 ILE A 93 14.052 -4.665 3.098 1.00 1.43 H new ATOM 0 HD11 ILE A 93 10.438 -5.303 2.159 1.00 12.51 H new ATOM 0 HD12 ILE A 93 12.074 -4.607 2.083 1.00 12.51 H new ATOM 0 HD13 ILE A 93 11.861 -6.347 2.387 1.00 12.51 H new ATOM 1493 N ALA A 94 11.565 -8.276 4.873 1.00 42.51 N ATOM 1494 CA ALA A 94 10.442 -9.113 5.341 1.00 41.02 C ATOM 1495 C ALA A 94 10.887 -10.272 6.247 1.00 55.43 C ATOM 1496 O ALA A 94 10.095 -10.735 7.074 1.00 41.51 O ATOM 1497 CB ALA A 94 9.656 -9.656 4.149 1.00 15.42 C ATOM 0 H ALA A 94 11.740 -8.355 3.871 1.00 42.51 H new ATOM 0 HA ALA A 94 9.805 -8.467 5.945 1.00 41.02 H new ATOM 0 HB1 ALA A 94 8.831 -10.271 4.507 1.00 15.42 H new ATOM 0 HB2 ALA A 94 9.262 -8.825 3.564 1.00 15.42 H new ATOM 0 HB3 ALA A 94 10.314 -10.260 3.524 1.00 15.42 H new ATOM 1503 N VAL A 95 12.131 -10.760 6.055 1.00 10.52 N ATOM 1504 CA VAL A 95 12.674 -11.879 6.848 1.00 1.12 C ATOM 1505 C VAL A 95 12.828 -11.469 8.323 1.00 54.54 C ATOM 1506 O VAL A 95 12.536 -12.252 9.226 1.00 43.10 O ATOM 1507 CB VAL A 95 14.035 -12.436 6.258 1.00 34.21 C ATOM 1508 CG1 VAL A 95 15.178 -11.406 6.329 1.00 53.51 C ATOM 1509 CG2 VAL A 95 14.438 -13.772 6.927 1.00 61.44 C ATOM 0 H VAL A 95 12.778 -10.395 5.356 1.00 10.52 H new ATOM 0 HA VAL A 95 11.956 -12.697 6.789 1.00 1.12 H new ATOM 0 HB VAL A 95 13.857 -12.631 5.201 1.00 34.21 H new ATOM 0 HG11 VAL A 95 16.086 -11.841 5.911 1.00 53.51 H new ATOM 0 HG12 VAL A 95 14.904 -10.519 5.758 1.00 53.51 H new ATOM 0 HG13 VAL A 95 15.353 -11.128 7.368 1.00 53.51 H new ATOM 0 HG21 VAL A 95 15.376 -14.125 6.498 1.00 61.44 H new ATOM 0 HG22 VAL A 95 14.564 -13.619 7.999 1.00 61.44 H new ATOM 0 HG23 VAL A 95 13.658 -14.514 6.756 1.00 61.44 H new ATOM 1519 N PHE A 96 13.249 -10.217 8.550 1.00 13.14 N ATOM 1520 CA PHE A 96 13.405 -9.657 9.897 1.00 15.43 C ATOM 1521 C PHE A 96 12.095 -8.970 10.348 1.00 10.04 C ATOM 1522 O PHE A 96 11.838 -8.862 11.549 1.00 64.24 O ATOM 1523 CB PHE A 96 14.599 -8.664 9.911 1.00 10.03 C ATOM 1524 CG PHE A 96 15.092 -8.298 11.309 1.00 52.42 C ATOM 1525 CD1 PHE A 96 15.544 -9.297 12.179 1.00 42.34 C ATOM 1526 CD2 PHE A 96 15.119 -6.977 11.753 1.00 33.43 C ATOM 1527 CE1 PHE A 96 15.998 -8.983 13.445 1.00 0.22 C ATOM 1528 CE2 PHE A 96 15.574 -6.665 13.022 1.00 53.54 C ATOM 1529 CZ PHE A 96 16.014 -7.668 13.866 1.00 32.33 C ATOM 0 H PHE A 96 13.491 -9.565 7.804 1.00 13.14 H new ATOM 0 HA PHE A 96 13.616 -10.460 10.603 1.00 15.43 H new ATOM 0 HB2 PHE A 96 15.425 -9.099 9.349 1.00 10.03 H new ATOM 0 HB3 PHE A 96 14.305 -7.752 9.391 1.00 10.03 H new ATOM 0 HD1 PHE A 96 15.538 -10.328 11.856 1.00 42.34 H new ATOM 0 HD2 PHE A 96 14.781 -6.187 11.099 1.00 33.43 H new ATOM 0 HE1 PHE A 96 16.340 -9.766 14.106 1.00 0.22 H new ATOM 0 HE2 PHE A 96 15.585 -5.637 13.354 1.00 53.54 H new ATOM 0 HZ PHE A 96 16.371 -7.423 14.855 1.00 32.33 H new ATOM 1539 N PHE A 97 11.278 -8.541 9.345 1.00 3.22 N ATOM 1540 CA PHE A 97 9.995 -7.795 9.513 1.00 52.32 C ATOM 1541 C PHE A 97 10.049 -6.725 10.635 1.00 5.22 C ATOM 1542 O PHE A 97 9.182 -6.663 11.522 1.00 25.30 O ATOM 1543 CB PHE A 97 8.748 -8.753 9.610 1.00 55.20 C ATOM 1544 CG PHE A 97 8.838 -9.910 10.614 1.00 43.53 C ATOM 1545 CD1 PHE A 97 8.464 -9.744 11.952 1.00 50.04 C ATOM 1546 CD2 PHE A 97 9.279 -11.176 10.210 1.00 61.24 C ATOM 1547 CE1 PHE A 97 8.532 -10.798 12.845 1.00 3.51 C ATOM 1548 CE2 PHE A 97 9.350 -12.226 11.107 1.00 73.13 C ATOM 1549 CZ PHE A 97 8.974 -12.037 12.422 1.00 53.31 C ATOM 0 H PHE A 97 11.501 -8.710 8.364 1.00 3.22 H new ATOM 0 HA PHE A 97 9.855 -7.224 8.595 1.00 52.32 H new ATOM 0 HB2 PHE A 97 7.876 -8.150 9.864 1.00 55.20 H new ATOM 0 HB3 PHE A 97 8.567 -9.175 8.621 1.00 55.20 H new ATOM 0 HD1 PHE A 97 8.117 -8.779 12.292 1.00 50.04 H new ATOM 0 HD2 PHE A 97 9.568 -11.335 9.182 1.00 61.24 H new ATOM 0 HE1 PHE A 97 8.239 -10.652 13.874 1.00 3.51 H new ATOM 0 HE2 PHE A 97 9.700 -13.194 10.779 1.00 73.13 H new ATOM 0 HZ PHE A 97 9.025 -12.859 13.121 1.00 53.31 H new ATOM 1559 N GLN A 98 11.096 -5.886 10.561 1.00 3.52 N ATOM 1560 CA GLN A 98 11.354 -4.811 11.526 1.00 53.01 C ATOM 1561 C GLN A 98 12.290 -3.779 10.855 1.00 65.41 C ATOM 1562 O GLN A 98 13.474 -4.108 10.635 1.00 32.04 O ATOM 1563 CB GLN A 98 11.995 -5.389 12.830 1.00 4.20 C ATOM 1564 CG GLN A 98 12.150 -4.385 13.996 1.00 53.30 C ATOM 1565 CD GLN A 98 10.808 -3.965 14.596 1.00 60.24 C ATOM 1566 OE1 GLN A 98 10.207 -2.957 14.210 1.00 1.11 O ATOM 1567 NE2 GLN A 98 10.312 -4.763 15.531 1.00 61.33 N ATOM 1568 OXT GLN A 98 11.849 -2.657 10.539 1.00 37.81 O ATOM 0 H GLN A 98 11.794 -5.938 9.819 1.00 3.52 H new ATOM 0 HA GLN A 98 10.420 -4.327 11.813 1.00 53.01 H new ATOM 0 HB2 GLN A 98 11.387 -6.226 13.173 1.00 4.20 H new ATOM 0 HB3 GLN A 98 12.979 -5.789 12.584 1.00 4.20 H new ATOM 0 HG2 GLN A 98 12.768 -4.832 14.775 1.00 53.30 H new ATOM 0 HG3 GLN A 98 12.677 -3.500 13.640 1.00 53.30 H new ATOM 0 HE21 GLN A 98 10.834 -5.588 15.827 1.00 61.33 H new ATOM 0 HE22 GLN A 98 9.408 -4.552 15.954 1.00 61.33 H new TER 1577 GLN A 98 ATOM 1578 N GLY B 1 -0.642 4.305 15.522 1.00 2.13 N ATOM 1579 CA GLY B 1 -0.095 4.034 16.873 1.00 54.25 C ATOM 1580 C GLY B 1 1.023 3.016 16.822 1.00 10.10 C ATOM 1581 O GLY B 1 0.918 1.925 17.401 1.00 10.33 O ATOM 0 H1 GLY B 1 -1.406 5.007 15.591 1.00 2.13 H new ATOM 0 H2 GLY B 1 0.113 4.675 14.910 1.00 2.13 H new ATOM 0 H3 GLY B 1 -1.017 3.424 15.116 1.00 2.13 H new ATOM 0 HA2 GLY B 1 0.275 4.961 17.310 1.00 54.25 H new ATOM 0 HA3 GLY B 1 -0.891 3.670 17.523 1.00 54.25 H new ATOM 1587 N SER B 2 2.109 3.387 16.133 1.00 13.21 N ATOM 1588 CA SER B 2 3.255 2.502 15.882 1.00 62.10 C ATOM 1589 C SER B 2 4.242 2.528 17.083 1.00 63.22 C ATOM 1590 O SER B 2 5.425 2.810 16.937 1.00 31.52 O ATOM 1591 CB SER B 2 3.930 2.968 14.565 1.00 45.10 C ATOM 1592 OG SER B 2 2.970 3.160 13.531 1.00 20.51 O ATOM 0 H SER B 2 2.219 4.318 15.730 1.00 13.21 H new ATOM 0 HA SER B 2 2.929 1.467 15.776 1.00 62.10 H new ATOM 0 HB2 SER B 2 4.470 3.899 14.740 1.00 45.10 H new ATOM 0 HB3 SER B 2 4.665 2.228 14.249 1.00 45.10 H new ATOM 0 HG SER B 2 2.472 2.328 13.389 1.00 20.51 H new ATOM 1598 N MET B 3 3.722 2.222 18.288 1.00 71.11 N ATOM 1599 CA MET B 3 4.500 2.266 19.553 1.00 62.41 C ATOM 1600 C MET B 3 4.327 0.958 20.350 1.00 42.31 C ATOM 1601 O MET B 3 4.863 0.832 21.454 1.00 35.34 O ATOM 1602 CB MET B 3 4.055 3.476 20.419 1.00 42.03 C ATOM 1603 CG MET B 3 4.298 4.857 19.794 1.00 13.35 C ATOM 1604 SD MET B 3 3.638 6.202 20.805 1.00 1.22 S ATOM 1605 CE MET B 3 1.882 5.825 20.817 1.00 14.10 C ATOM 0 H MET B 3 2.751 1.937 18.417 1.00 71.11 H new ATOM 0 HA MET B 3 5.554 2.379 19.298 1.00 62.41 H new ATOM 0 HB2 MET B 3 2.991 3.375 20.634 1.00 42.03 H new ATOM 0 HB3 MET B 3 4.579 3.430 21.374 1.00 42.03 H new ATOM 0 HG2 MET B 3 5.369 5.005 19.653 1.00 13.35 H new ATOM 0 HG3 MET B 3 3.839 4.891 18.806 1.00 13.35 H new ATOM 0 HE1 MET B 3 1.319 6.720 21.081 1.00 14.10 H new ATOM 0 HE2 MET B 3 1.577 5.483 19.828 1.00 14.10 H new ATOM 0 HE3 MET B 3 1.683 5.042 21.549 1.00 14.10 H new ATOM 1615 N GLN B 4 3.588 -0.009 19.778 1.00 25.21 N ATOM 1616 CA GLN B 4 3.272 -1.302 20.431 1.00 13.01 C ATOM 1617 C GLN B 4 4.031 -2.450 19.744 1.00 63.15 C ATOM 1618 O GLN B 4 4.446 -2.317 18.589 1.00 4.13 O ATOM 1619 CB GLN B 4 1.747 -1.590 20.354 1.00 14.43 C ATOM 1620 CG GLN B 4 0.845 -0.527 21.013 1.00 4.13 C ATOM 1621 CD GLN B 4 -0.655 -0.848 20.893 1.00 52.31 C ATOM 1622 OE1 GLN B 4 -1.097 -1.481 19.935 1.00 41.33 O ATOM 1623 NE2 GLN B 4 -1.451 -0.390 21.845 1.00 34.21 N ATOM 0 H GLN B 4 3.188 0.080 18.844 1.00 25.21 H new ATOM 0 HA GLN B 4 3.578 -1.236 21.475 1.00 13.01 H new ATOM 0 HB2 GLN B 4 1.464 -1.685 19.306 1.00 14.43 H new ATOM 0 HB3 GLN B 4 1.551 -2.553 20.826 1.00 14.43 H new ATOM 0 HG2 GLN B 4 1.108 -0.439 22.067 1.00 4.13 H new ATOM 0 HG3 GLN B 4 1.041 0.442 20.554 1.00 4.13 H new ATOM 0 HE21 GLN B 4 -1.060 0.132 22.629 1.00 34.21 H new ATOM 0 HE22 GLN B 4 -2.456 -0.559 21.795 1.00 34.21 H new ATOM 1632 N ASN B 5 4.151 -3.592 20.456 1.00 32.52 N ATOM 1633 CA ASN B 5 4.745 -4.836 19.911 1.00 44.11 C ATOM 1634 C ASN B 5 3.883 -5.393 18.754 1.00 13.51 C ATOM 1635 O ASN B 5 2.753 -4.928 18.534 1.00 42.40 O ATOM 1636 CB ASN B 5 4.915 -5.903 21.031 1.00 34.31 C ATOM 1637 CG ASN B 5 5.797 -5.430 22.197 1.00 54.44 C ATOM 1638 OD1 ASN B 5 6.700 -4.606 22.029 1.00 33.43 O ATOM 1639 ND2 ASN B 5 5.549 -5.951 23.389 1.00 55.00 N ATOM 0 H ASN B 5 3.840 -3.679 21.423 1.00 32.52 H new ATOM 0 HA ASN B 5 5.732 -4.596 19.516 1.00 44.11 H new ATOM 0 HB2 ASN B 5 3.932 -6.174 21.416 1.00 34.31 H new ATOM 0 HB3 ASN B 5 5.349 -6.805 20.600 1.00 34.31 H new ATOM 0 HD21 ASN B 5 6.110 -5.673 24.194 1.00 55.00 H new ATOM 0 HD22 ASN B 5 4.797 -6.631 23.502 1.00 55.00 H new ATOM 1646 N THR B 6 4.424 -6.382 18.013 1.00 50.44 N ATOM 1647 CA THR B 6 3.717 -7.014 16.887 1.00 42.53 C ATOM 1648 C THR B 6 2.507 -7.831 17.408 1.00 33.01 C ATOM 1649 O THR B 6 2.618 -9.022 17.723 1.00 43.23 O ATOM 1650 CB THR B 6 4.694 -7.902 16.025 1.00 61.04 C ATOM 1651 OG1 THR B 6 5.403 -8.824 16.873 1.00 10.33 O ATOM 1652 CG2 THR B 6 5.715 -7.044 15.240 1.00 42.42 C ATOM 0 H THR B 6 5.356 -6.761 18.179 1.00 50.44 H new ATOM 0 HA THR B 6 3.339 -6.231 16.230 1.00 42.53 H new ATOM 0 HB THR B 6 4.084 -8.448 15.305 1.00 61.04 H new ATOM 0 HG1 THR B 6 4.765 -9.300 17.445 1.00 10.33 H new ATOM 0 HG21 THR B 6 6.368 -7.696 14.660 1.00 42.42 H new ATOM 0 HG22 THR B 6 5.184 -6.371 14.567 1.00 42.42 H new ATOM 0 HG23 THR B 6 6.313 -6.460 15.939 1.00 42.42 H new ATOM 1660 N THR B 7 1.370 -7.131 17.551 1.00 14.34 N ATOM 1661 CA THR B 7 0.121 -7.693 18.079 1.00 1.40 C ATOM 1662 C THR B 7 -0.676 -8.363 16.939 1.00 12.11 C ATOM 1663 O THR B 7 -0.553 -7.973 15.777 1.00 31.43 O ATOM 1664 CB THR B 7 -0.730 -6.558 18.749 1.00 2.01 C ATOM 1665 OG1 THR B 7 0.114 -5.776 19.613 1.00 55.13 O ATOM 1666 CG2 THR B 7 -1.907 -7.111 19.577 1.00 5.34 C ATOM 0 H THR B 7 1.294 -6.146 17.299 1.00 14.34 H new ATOM 0 HA THR B 7 0.354 -8.447 18.831 1.00 1.40 H new ATOM 0 HB THR B 7 -1.143 -5.949 17.945 1.00 2.01 H new ATOM 0 HG1 THR B 7 0.898 -5.468 19.113 1.00 55.13 H new ATOM 0 HG21 THR B 7 -2.462 -6.283 20.018 1.00 5.34 H new ATOM 0 HG22 THR B 7 -2.568 -7.687 18.930 1.00 5.34 H new ATOM 0 HG23 THR B 7 -1.524 -7.754 20.369 1.00 5.34 H new ATOM 1674 N HIS B 8 -1.502 -9.363 17.297 1.00 63.52 N ATOM 1675 CA HIS B 8 -2.359 -10.110 16.340 1.00 71.11 C ATOM 1676 C HIS B 8 -3.764 -9.456 16.246 1.00 23.50 C ATOM 1677 O HIS B 8 -4.727 -10.077 15.789 1.00 1.30 O ATOM 1678 CB HIS B 8 -2.452 -11.600 16.787 1.00 13.23 C ATOM 1679 CG HIS B 8 -1.112 -12.306 16.891 1.00 2.45 C ATOM 1680 ND1 HIS B 8 -0.745 -13.370 16.092 1.00 43.42 N ATOM 1681 CD2 HIS B 8 -0.063 -12.106 17.733 1.00 51.24 C ATOM 1682 CE1 HIS B 8 0.461 -13.783 16.440 1.00 32.12 C ATOM 1683 NE2 HIS B 8 0.890 -13.033 17.427 1.00 54.14 N ATOM 0 H HIS B 8 -1.599 -9.682 18.261 1.00 63.52 H new ATOM 0 HA HIS B 8 -1.915 -10.073 15.345 1.00 71.11 H new ATOM 0 HB2 HIS B 8 -2.950 -11.646 17.756 1.00 13.23 H new ATOM 0 HB3 HIS B 8 -3.080 -12.141 16.079 1.00 13.23 H new ATOM 0 HD2 HIS B 8 0.003 -11.352 18.503 1.00 51.24 H new ATOM 0 HE1 HIS B 8 1.003 -14.601 15.988 1.00 32.12 H new ATOM 0 HE2 HIS B 8 1.793 -13.128 17.892 1.00 54.14 H new ATOM 1692 N ASP B 9 -3.828 -8.173 16.653 1.00 64.33 N ATOM 1693 CA ASP B 9 -5.047 -7.337 16.640 1.00 3.25 C ATOM 1694 C ASP B 9 -5.381 -6.874 15.207 1.00 21.42 C ATOM 1695 O ASP B 9 -6.528 -6.511 14.900 1.00 73.52 O ATOM 1696 CB ASP B 9 -4.815 -6.124 17.576 1.00 2.33 C ATOM 1697 CG ASP B 9 -6.059 -5.256 17.788 1.00 41.23 C ATOM 1698 OD1 ASP B 9 -6.934 -5.643 18.597 1.00 71.23 O ATOM 1699 OD2 ASP B 9 -6.171 -4.191 17.158 1.00 24.42 O ATOM 0 H ASP B 9 -3.012 -7.675 17.010 1.00 64.33 H new ATOM 0 HA ASP B 9 -5.898 -7.918 16.995 1.00 3.25 H new ATOM 0 HB2 ASP B 9 -4.467 -6.486 18.544 1.00 2.33 H new ATOM 0 HB3 ASP B 9 -4.019 -5.505 17.162 1.00 2.33 H new ATOM 1704 N ASN B 10 -4.360 -6.904 14.340 1.00 14.21 N ATOM 1705 CA ASN B 10 -4.501 -6.611 12.911 1.00 23.25 C ATOM 1706 C ASN B 10 -5.066 -7.848 12.176 1.00 22.32 C ATOM 1707 O ASN B 10 -4.838 -8.994 12.588 1.00 75.31 O ATOM 1708 CB ASN B 10 -3.127 -6.188 12.299 1.00 73.15 C ATOM 1709 CG ASN B 10 -2.034 -7.270 12.397 1.00 12.34 C ATOM 1710 OD1 ASN B 10 -1.985 -8.053 13.344 1.00 52.02 O ATOM 1711 ND2 ASN B 10 -1.146 -7.328 11.417 1.00 71.13 N ATOM 0 H ASN B 10 -3.405 -7.135 14.615 1.00 14.21 H new ATOM 0 HA ASN B 10 -5.196 -5.780 12.788 1.00 23.25 H new ATOM 0 HB2 ASN B 10 -3.273 -5.928 11.250 1.00 73.15 H new ATOM 0 HB3 ASN B 10 -2.778 -5.288 12.805 1.00 73.15 H new ATOM 0 HD21 ASN B 10 -0.406 -8.030 11.440 1.00 71.13 H new ATOM 0 HD22 ASN B 10 -1.201 -6.671 10.639 1.00 71.13 H new ATOM 1718 N VAL B 11 -5.802 -7.597 11.089 1.00 74.43 N ATOM 1719 CA VAL B 11 -6.373 -8.644 10.225 1.00 61.13 C ATOM 1720 C VAL B 11 -5.755 -8.479 8.844 1.00 20.00 C ATOM 1721 O VAL B 11 -5.406 -7.365 8.453 1.00 43.34 O ATOM 1722 CB VAL B 11 -7.958 -8.606 10.136 1.00 4.03 C ATOM 1723 CG1 VAL B 11 -8.590 -8.664 11.545 1.00 53.01 C ATOM 1724 CG2 VAL B 11 -8.493 -7.388 9.335 1.00 21.13 C ATOM 0 H VAL B 11 -6.023 -6.651 10.778 1.00 74.43 H new ATOM 0 HA VAL B 11 -6.138 -9.616 10.659 1.00 61.13 H new ATOM 0 HB VAL B 11 -8.259 -9.494 9.581 1.00 4.03 H new ATOM 0 HG11 VAL B 11 -9.676 -8.637 11.458 1.00 53.01 H new ATOM 0 HG12 VAL B 11 -8.289 -9.587 12.041 1.00 53.01 H new ATOM 0 HG13 VAL B 11 -8.251 -7.810 12.131 1.00 53.01 H new ATOM 0 HG21 VAL B 11 -9.582 -7.419 9.310 1.00 21.13 H new ATOM 0 HG22 VAL B 11 -8.167 -6.465 9.815 1.00 21.13 H new ATOM 0 HG23 VAL B 11 -8.106 -7.424 8.317 1.00 21.13 H new ATOM 1734 N ILE B 12 -5.591 -9.589 8.136 1.00 42.24 N ATOM 1735 CA ILE B 12 -4.937 -9.631 6.827 1.00 1.04 C ATOM 1736 C ILE B 12 -6.013 -9.717 5.735 1.00 34.33 C ATOM 1737 O ILE B 12 -6.519 -10.803 5.432 1.00 61.33 O ATOM 1738 CB ILE B 12 -3.968 -10.869 6.747 1.00 42.34 C ATOM 1739 CG1 ILE B 12 -2.965 -10.880 7.926 1.00 72.44 C ATOM 1740 CG2 ILE B 12 -3.207 -10.929 5.420 1.00 50.25 C ATOM 1741 CD1 ILE B 12 -1.971 -9.739 7.966 1.00 64.11 C ATOM 0 H ILE B 12 -5.913 -10.502 8.457 1.00 42.24 H new ATOM 0 HA ILE B 12 -4.346 -8.727 6.680 1.00 1.04 H new ATOM 0 HB ILE B 12 -4.601 -11.754 6.812 1.00 42.34 H new ATOM 0 HG12 ILE B 12 -3.531 -10.875 8.858 1.00 72.44 H new ATOM 0 HG13 ILE B 12 -2.410 -11.818 7.895 1.00 72.44 H new ATOM 0 HG21 ILE B 12 -2.552 -11.801 5.415 1.00 50.25 H new ATOM 0 HG22 ILE B 12 -3.917 -11.004 4.596 1.00 50.25 H new ATOM 0 HG23 ILE B 12 -2.609 -10.025 5.302 1.00 50.25 H new ATOM 0 HD11 ILE B 12 -1.321 -9.853 8.834 1.00 64.11 H new ATOM 0 HD12 ILE B 12 -1.368 -9.749 7.058 1.00 64.11 H new ATOM 0 HD13 ILE B 12 -2.507 -8.792 8.035 1.00 64.11 H new ATOM 1753 N LEU B 13 -6.391 -8.566 5.167 1.00 53.45 N ATOM 1754 CA LEU B 13 -7.416 -8.521 4.121 1.00 54.15 C ATOM 1755 C LEU B 13 -6.756 -8.744 2.773 1.00 41.30 C ATOM 1756 O LEU B 13 -6.189 -7.832 2.172 1.00 31.34 O ATOM 1757 CB LEU B 13 -8.198 -7.197 4.152 1.00 42.25 C ATOM 1758 CG LEU B 13 -8.985 -6.939 5.465 1.00 32.40 C ATOM 1759 CD1 LEU B 13 -9.774 -5.639 5.368 1.00 73.05 C ATOM 1760 CD2 LEU B 13 -9.912 -8.129 5.825 1.00 35.31 C ATOM 0 H LEU B 13 -6.003 -7.656 5.414 1.00 53.45 H new ATOM 0 HA LEU B 13 -8.142 -9.314 4.300 1.00 54.15 H new ATOM 0 HB2 LEU B 13 -7.500 -6.375 3.995 1.00 42.25 H new ATOM 0 HB3 LEU B 13 -8.898 -7.184 3.316 1.00 42.25 H new ATOM 0 HG LEU B 13 -8.259 -6.843 6.273 1.00 32.40 H new ATOM 0 HD11 LEU B 13 -10.320 -5.474 6.297 1.00 73.05 H new ATOM 0 HD12 LEU B 13 -9.088 -4.809 5.198 1.00 73.05 H new ATOM 0 HD13 LEU B 13 -10.479 -5.702 4.540 1.00 73.05 H new ATOM 0 HD21 LEU B 13 -10.445 -7.908 6.750 1.00 35.31 H new ATOM 0 HD22 LEU B 13 -10.631 -8.286 5.021 1.00 35.31 H new ATOM 0 HD23 LEU B 13 -9.313 -9.030 5.957 1.00 35.31 H new ATOM 1772 N GLU B 14 -6.816 -9.998 2.347 1.00 75.34 N ATOM 1773 CA GLU B 14 -6.196 -10.473 1.127 1.00 53.24 C ATOM 1774 C GLU B 14 -7.167 -10.276 -0.036 1.00 0.32 C ATOM 1775 O GLU B 14 -8.044 -11.101 -0.271 1.00 13.14 O ATOM 1776 CB GLU B 14 -5.840 -11.970 1.319 1.00 1.24 C ATOM 1777 CG GLU B 14 -5.171 -12.642 0.112 1.00 35.42 C ATOM 1778 CD GLU B 14 -4.954 -14.146 0.313 1.00 41.22 C ATOM 1779 OE1 GLU B 14 -3.938 -14.530 0.927 1.00 40.03 O ATOM 1780 OE2 GLU B 14 -5.812 -14.945 -0.114 1.00 50.13 O ATOM 0 H GLU B 14 -7.311 -10.729 2.857 1.00 75.34 H new ATOM 0 HA GLU B 14 -5.285 -9.918 0.903 1.00 53.24 H new ATOM 0 HB2 GLU B 14 -5.177 -12.062 2.179 1.00 1.24 H new ATOM 0 HB3 GLU B 14 -6.752 -12.516 1.559 1.00 1.24 H new ATOM 0 HG2 GLU B 14 -5.787 -12.484 -0.773 1.00 35.42 H new ATOM 0 HG3 GLU B 14 -4.210 -12.163 -0.078 1.00 35.42 H new ATOM 1787 N LEU B 15 -7.051 -9.138 -0.720 1.00 15.34 N ATOM 1788 CA LEU B 15 -7.878 -8.835 -1.895 1.00 20.15 C ATOM 1789 C LEU B 15 -7.008 -8.785 -3.159 1.00 1.25 C ATOM 1790 O LEU B 15 -5.924 -8.188 -3.174 1.00 11.42 O ATOM 1791 CB LEU B 15 -8.728 -7.543 -1.654 1.00 24.02 C ATOM 1792 CG LEU B 15 -8.024 -6.323 -0.956 1.00 10.14 C ATOM 1793 CD1 LEU B 15 -7.179 -5.484 -1.933 1.00 3.10 C ATOM 1794 CD2 LEU B 15 -9.049 -5.441 -0.215 1.00 44.44 C ATOM 0 H LEU B 15 -6.386 -8.402 -0.480 1.00 15.34 H new ATOM 0 HA LEU B 15 -8.599 -9.636 -2.056 1.00 20.15 H new ATOM 0 HB2 LEU B 15 -9.105 -7.205 -2.619 1.00 24.02 H new ATOM 0 HB3 LEU B 15 -9.594 -7.819 -1.053 1.00 24.02 H new ATOM 0 HG LEU B 15 -7.333 -6.740 -0.224 1.00 10.14 H new ATOM 0 HD11 LEU B 15 -6.717 -4.656 -1.396 1.00 3.10 H new ATOM 0 HD12 LEU B 15 -6.402 -6.110 -2.372 1.00 3.10 H new ATOM 0 HD13 LEU B 15 -7.819 -5.092 -2.723 1.00 3.10 H new ATOM 0 HD21 LEU B 15 -8.535 -4.605 0.259 1.00 44.44 H new ATOM 0 HD22 LEU B 15 -9.783 -5.060 -0.926 1.00 44.44 H new ATOM 0 HD23 LEU B 15 -9.556 -6.034 0.547 1.00 44.44 H new ATOM 1806 N THR B 16 -7.470 -9.496 -4.188 1.00 1.23 N ATOM 1807 CA THR B 16 -6.841 -9.538 -5.498 1.00 44.32 C ATOM 1808 C THR B 16 -7.432 -8.418 -6.351 1.00 25.21 C ATOM 1809 O THR B 16 -8.628 -8.436 -6.638 1.00 23.21 O ATOM 1810 CB THR B 16 -7.106 -10.917 -6.184 1.00 5.34 C ATOM 1811 OG1 THR B 16 -6.663 -11.987 -5.337 1.00 45.01 O ATOM 1812 CG2 THR B 16 -6.409 -11.029 -7.539 1.00 64.43 C ATOM 0 H THR B 16 -8.311 -10.070 -4.127 1.00 1.23 H new ATOM 0 HA THR B 16 -5.764 -9.407 -5.393 1.00 44.32 H new ATOM 0 HB THR B 16 -8.181 -10.990 -6.348 1.00 5.34 H new ATOM 0 HG1 THR B 16 -6.836 -12.845 -5.777 1.00 45.01 H new ATOM 0 HG21 THR B 16 -6.622 -12.004 -7.978 1.00 64.43 H new ATOM 0 HG22 THR B 16 -6.774 -10.245 -8.202 1.00 64.43 H new ATOM 0 HG23 THR B 16 -5.333 -10.918 -7.405 1.00 64.43 H new ATOM 1820 N VAL B 17 -6.613 -7.423 -6.705 1.00 4.40 N ATOM 1821 CA VAL B 17 -7.015 -6.339 -7.604 1.00 3.42 C ATOM 1822 C VAL B 17 -6.253 -6.466 -8.922 1.00 71.33 C ATOM 1823 O VAL B 17 -5.124 -6.927 -8.942 1.00 2.43 O ATOM 1824 CB VAL B 17 -6.766 -4.913 -6.969 1.00 2.44 C ATOM 1825 CG1 VAL B 17 -7.219 -4.877 -5.493 1.00 4.02 C ATOM 1826 CG2 VAL B 17 -5.302 -4.434 -7.131 1.00 34.22 C ATOM 0 H VAL B 17 -5.651 -7.347 -6.375 1.00 4.40 H new ATOM 0 HA VAL B 17 -8.087 -6.430 -7.780 1.00 3.42 H new ATOM 0 HB VAL B 17 -7.380 -4.206 -7.527 1.00 2.44 H new ATOM 0 HG11 VAL B 17 -7.036 -3.885 -5.080 1.00 4.02 H new ATOM 0 HG12 VAL B 17 -8.283 -5.105 -5.433 1.00 4.02 H new ATOM 0 HG13 VAL B 17 -6.657 -5.616 -4.922 1.00 4.02 H new ATOM 0 HG21 VAL B 17 -5.189 -3.450 -6.677 1.00 34.22 H new ATOM 0 HG22 VAL B 17 -4.632 -5.140 -6.640 1.00 34.22 H new ATOM 0 HG23 VAL B 17 -5.054 -4.375 -8.191 1.00 34.22 H new ATOM 1836 N ARG B 18 -6.884 -6.088 -10.017 1.00 14.20 N ATOM 1837 CA ARG B 18 -6.178 -5.848 -11.288 1.00 43.41 C ATOM 1838 C ARG B 18 -5.761 -4.382 -11.297 1.00 11.13 C ATOM 1839 O ARG B 18 -6.395 -3.582 -10.599 1.00 21.11 O ATOM 1840 CB ARG B 18 -7.095 -6.200 -12.479 1.00 73.21 C ATOM 1841 CG ARG B 18 -8.437 -5.435 -12.527 1.00 60.42 C ATOM 1842 CD ARG B 18 -9.363 -5.973 -13.625 1.00 54.25 C ATOM 1843 NE ARG B 18 -8.727 -5.914 -14.956 1.00 34.23 N ATOM 1844 CZ ARG B 18 -9.208 -6.477 -16.075 1.00 15.42 C ATOM 1845 NH1 ARG B 18 -10.352 -7.157 -16.065 1.00 74.23 N ATOM 1846 NH2 ARG B 18 -8.531 -6.357 -17.202 1.00 42.23 N ATOM 0 H ARG B 18 -7.892 -5.936 -10.065 1.00 14.20 H new ATOM 0 HA ARG B 18 -5.294 -6.479 -11.382 1.00 43.41 H new ATOM 0 HB2 ARG B 18 -6.552 -6.007 -13.404 1.00 73.21 H new ATOM 0 HB3 ARG B 18 -7.306 -7.269 -12.451 1.00 73.21 H new ATOM 0 HG2 ARG B 18 -8.935 -5.515 -11.561 1.00 60.42 H new ATOM 0 HG3 ARG B 18 -8.245 -4.376 -12.700 1.00 60.42 H new ATOM 0 HD2 ARG B 18 -9.636 -7.004 -13.398 1.00 54.25 H new ATOM 0 HD3 ARG B 18 -10.287 -5.394 -13.637 1.00 54.25 H new ATOM 0 HE ARG B 18 -7.848 -5.402 -15.031 1.00 34.23 H new ATOM 0 HH11 ARG B 18 -10.878 -7.257 -15.197 1.00 74.23 H new ATOM 0 HH12 ARG B 18 -10.702 -7.578 -16.925 1.00 74.23 H new ATOM 0 HH21 ARG B 18 -7.652 -5.840 -17.216 1.00 42.23 H new ATOM 0 HH22 ARG B 18 -8.887 -6.781 -18.059 1.00 42.23 H new ATOM 1860 N ASN B 19 -4.694 -4.015 -12.039 1.00 63.34 N ATOM 1861 CA ASN B 19 -4.203 -2.618 -12.054 1.00 4.13 C ATOM 1862 C ASN B 19 -5.139 -1.704 -12.879 1.00 64.33 C ATOM 1863 O ASN B 19 -4.879 -1.390 -14.047 1.00 40.53 O ATOM 1864 CB ASN B 19 -2.721 -2.518 -12.531 1.00 44.44 C ATOM 1865 CG ASN B 19 -1.719 -3.138 -11.541 1.00 23.44 C ATOM 1866 OD1 ASN B 19 -2.009 -4.143 -10.898 1.00 13.03 O ATOM 1867 ND2 ASN B 19 -0.548 -2.520 -11.384 1.00 42.43 N ATOM 0 H ASN B 19 -4.162 -4.656 -12.628 1.00 63.34 H new ATOM 0 HA ASN B 19 -4.219 -2.260 -11.025 1.00 4.13 H new ATOM 0 HB2 ASN B 19 -2.623 -3.016 -13.496 1.00 44.44 H new ATOM 0 HB3 ASN B 19 -2.467 -1.469 -12.686 1.00 44.44 H new ATOM 0 HD21 ASN B 19 0.133 -2.881 -10.716 1.00 42.43 H new ATOM 0 HD22 ASN B 19 -0.334 -1.687 -11.932 1.00 42.43 H new ATOM 1874 N HIS B 20 -6.270 -1.359 -12.246 1.00 71.41 N ATOM 1875 CA HIS B 20 -7.218 -0.337 -12.701 1.00 24.34 C ATOM 1876 C HIS B 20 -6.731 1.012 -12.144 1.00 5.23 C ATOM 1877 O HIS B 20 -6.131 1.029 -11.058 1.00 41.22 O ATOM 1878 CB HIS B 20 -8.656 -0.707 -12.185 1.00 35.23 C ATOM 1879 CG HIS B 20 -9.710 0.375 -12.303 1.00 3.30 C ATOM 1880 ND1 HIS B 20 -10.605 0.460 -13.350 1.00 3.42 N ATOM 1881 CD2 HIS B 20 -10.023 1.408 -11.476 1.00 30.25 C ATOM 1882 CE1 HIS B 20 -11.398 1.497 -13.164 1.00 24.34 C ATOM 1883 NE2 HIS B 20 -11.065 2.083 -12.039 1.00 11.41 N ATOM 0 H HIS B 20 -6.558 -1.801 -11.373 1.00 71.41 H new ATOM 0 HA HIS B 20 -7.270 -0.277 -13.788 1.00 24.34 H new ATOM 0 HB2 HIS B 20 -9.002 -1.583 -12.734 1.00 35.23 H new ATOM 0 HB3 HIS B 20 -8.579 -0.997 -11.137 1.00 35.23 H new ATOM 0 HD2 HIS B 20 -9.535 1.650 -10.543 1.00 30.25 H new ATOM 0 HE1 HIS B 20 -12.190 1.811 -13.828 1.00 24.34 H new ATOM 0 HE2 HIS B 20 -11.514 2.911 -11.648 1.00 11.41 H new ATOM 1892 N PRO B 21 -6.920 2.149 -12.893 1.00 4.20 N ATOM 1893 CA PRO B 21 -6.574 3.504 -12.399 1.00 51.23 C ATOM 1894 C PRO B 21 -7.048 3.795 -10.948 1.00 4.35 C ATOM 1895 O PRO B 21 -8.231 4.052 -10.699 1.00 71.43 O ATOM 1896 CB PRO B 21 -7.275 4.429 -13.422 1.00 14.12 C ATOM 1897 CG PRO B 21 -7.238 3.655 -14.709 1.00 42.40 C ATOM 1898 CD PRO B 21 -7.418 2.199 -14.308 1.00 33.42 C ATOM 0 HA PRO B 21 -5.495 3.644 -12.333 1.00 51.23 H new ATOM 0 HB2 PRO B 21 -8.299 4.651 -13.121 1.00 14.12 H new ATOM 0 HB3 PRO B 21 -6.756 5.383 -13.516 1.00 14.12 H new ATOM 0 HG2 PRO B 21 -8.030 3.978 -15.385 1.00 42.40 H new ATOM 0 HG3 PRO B 21 -6.293 3.805 -15.231 1.00 42.40 H new ATOM 0 HD2 PRO B 21 -8.462 1.892 -14.375 1.00 33.42 H new ATOM 0 HD3 PRO B 21 -6.848 1.533 -14.956 1.00 33.42 H new ATOM 1906 N GLY B 22 -6.094 3.683 -10.002 1.00 32.34 N ATOM 1907 CA GLY B 22 -6.285 4.104 -8.613 1.00 13.14 C ATOM 1908 C GLY B 22 -6.815 3.033 -7.674 1.00 55.13 C ATOM 1909 O GLY B 22 -7.429 3.378 -6.669 1.00 60.23 O ATOM 0 H GLY B 22 -5.169 3.296 -10.188 1.00 32.34 H new ATOM 0 HA2 GLY B 22 -5.332 4.463 -8.226 1.00 13.14 H new ATOM 0 HA3 GLY B 22 -6.974 4.949 -8.599 1.00 13.14 H new ATOM 1913 N VAL B 23 -6.557 1.739 -7.959 1.00 44.31 N ATOM 1914 CA VAL B 23 -6.983 0.625 -7.057 1.00 2.13 C ATOM 1915 C VAL B 23 -6.412 0.786 -5.630 1.00 12.21 C ATOM 1916 O VAL B 23 -7.089 0.490 -4.637 1.00 44.53 O ATOM 1917 CB VAL B 23 -6.602 -0.797 -7.617 1.00 50.53 C ATOM 1918 CG1 VAL B 23 -7.385 -1.104 -8.886 1.00 51.12 C ATOM 1919 CG2 VAL B 23 -5.086 -0.948 -7.876 1.00 52.23 C ATOM 0 H VAL B 23 -6.061 1.432 -8.796 1.00 44.31 H new ATOM 0 HA VAL B 23 -8.070 0.690 -7.014 1.00 2.13 H new ATOM 0 HB VAL B 23 -6.871 -1.518 -6.845 1.00 50.53 H new ATOM 0 HG11 VAL B 23 -7.106 -2.091 -9.256 1.00 51.12 H new ATOM 0 HG12 VAL B 23 -8.453 -1.086 -8.668 1.00 51.12 H new ATOM 0 HG13 VAL B 23 -7.157 -0.355 -9.644 1.00 51.12 H new ATOM 0 HG21 VAL B 23 -4.880 -1.947 -8.261 1.00 52.23 H new ATOM 0 HG22 VAL B 23 -4.766 -0.205 -8.606 1.00 52.23 H new ATOM 0 HG23 VAL B 23 -4.541 -0.799 -6.944 1.00 52.23 H new ATOM 1929 N MET B 24 -5.173 1.287 -5.555 1.00 2.12 N ATOM 1930 CA MET B 24 -4.493 1.571 -4.287 1.00 11.41 C ATOM 1931 C MET B 24 -5.160 2.759 -3.561 1.00 13.11 C ATOM 1932 O MET B 24 -5.253 2.766 -2.338 1.00 4.12 O ATOM 1933 CB MET B 24 -2.977 1.825 -4.525 1.00 13.22 C ATOM 1934 CG MET B 24 -2.622 2.996 -5.470 1.00 54.50 C ATOM 1935 SD MET B 24 -3.110 2.725 -7.190 1.00 34.43 S ATOM 1936 CE MET B 24 -2.194 1.237 -7.589 1.00 74.43 C ATOM 0 H MET B 24 -4.612 1.508 -6.377 1.00 2.12 H new ATOM 0 HA MET B 24 -4.586 0.698 -3.641 1.00 11.41 H new ATOM 0 HB2 MET B 24 -2.505 2.008 -3.560 1.00 13.22 H new ATOM 0 HB3 MET B 24 -2.536 0.913 -4.928 1.00 13.22 H new ATOM 0 HG2 MET B 24 -3.103 3.903 -5.105 1.00 54.50 H new ATOM 0 HG3 MET B 24 -1.546 3.168 -5.431 1.00 54.50 H new ATOM 0 HE1 MET B 24 -2.224 1.069 -8.666 1.00 74.43 H new ATOM 0 HE2 MET B 24 -1.159 1.350 -7.268 1.00 74.43 H new ATOM 0 HE3 MET B 24 -2.642 0.386 -7.077 1.00 74.43 H new ATOM 1946 N THR B 25 -5.659 3.740 -4.334 1.00 0.04 N ATOM 1947 CA THR B 25 -6.348 4.923 -3.790 1.00 50.24 C ATOM 1948 C THR B 25 -7.768 4.547 -3.299 1.00 34.31 C ATOM 1949 O THR B 25 -8.296 5.154 -2.360 1.00 13.15 O ATOM 1950 CB THR B 25 -6.416 6.053 -4.873 1.00 35.24 C ATOM 1951 OG1 THR B 25 -5.150 6.132 -5.557 1.00 64.03 O ATOM 1952 CG2 THR B 25 -6.740 7.430 -4.261 1.00 30.04 C ATOM 0 H THR B 25 -5.596 3.735 -5.352 1.00 0.04 H new ATOM 0 HA THR B 25 -5.782 5.296 -2.936 1.00 50.24 H new ATOM 0 HB THR B 25 -7.218 5.797 -5.565 1.00 35.24 H new ATOM 0 HG1 THR B 25 -5.254 5.807 -6.476 1.00 64.03 H new ATOM 0 HG21 THR B 25 -6.776 8.180 -5.051 1.00 30.04 H new ATOM 0 HG22 THR B 25 -7.706 7.386 -3.758 1.00 30.04 H new ATOM 0 HG23 THR B 25 -5.967 7.699 -3.541 1.00 30.04 H new ATOM 1960 N HIS B 26 -8.359 3.520 -3.947 1.00 2.10 N ATOM 1961 CA HIS B 26 -9.704 3.016 -3.617 1.00 44.21 C ATOM 1962 C HIS B 26 -9.678 2.219 -2.304 1.00 71.00 C ATOM 1963 O HIS B 26 -10.505 2.477 -1.428 1.00 14.43 O ATOM 1964 CB HIS B 26 -10.291 2.164 -4.782 1.00 60.24 C ATOM 1965 CG HIS B 26 -10.728 2.974 -5.989 1.00 33.30 C ATOM 1966 ND1 HIS B 26 -11.762 2.595 -6.822 1.00 60.22 N ATOM 1967 CD2 HIS B 26 -10.256 4.134 -6.507 1.00 14.04 C ATOM 1968 CE1 HIS B 26 -11.902 3.487 -7.781 1.00 72.41 C ATOM 1969 NE2 HIS B 26 -11.003 4.427 -7.607 1.00 4.04 N ATOM 0 H HIS B 26 -7.913 3.018 -4.715 1.00 2.10 H new ATOM 0 HA HIS B 26 -10.360 3.875 -3.478 1.00 44.21 H new ATOM 0 HB2 HIS B 26 -9.543 1.437 -5.098 1.00 60.24 H new ATOM 0 HB3 HIS B 26 -11.146 1.599 -4.409 1.00 60.24 H new ATOM 0 HD1 HIS B 26 -12.329 1.755 -6.712 1.00 60.22 H new ATOM 0 HD2 HIS B 26 -9.436 4.720 -6.118 1.00 14.04 H new ATOM 0 HE1 HIS B 26 -12.633 3.451 -8.576 1.00 72.41 H new ATOM 1978 N VAL B 27 -8.707 1.276 -2.153 1.00 30.05 N ATOM 1979 CA VAL B 27 -8.581 0.475 -0.911 1.00 52.22 C ATOM 1980 C VAL B 27 -8.326 1.401 0.291 1.00 21.15 C ATOM 1981 O VAL B 27 -9.074 1.374 1.269 1.00 14.20 O ATOM 1982 CB VAL B 27 -7.492 -0.687 -1.003 1.00 75.34 C ATOM 1983 CG1 VAL B 27 -7.829 -1.675 -2.146 1.00 13.43 C ATOM 1984 CG2 VAL B 27 -6.050 -0.159 -1.165 1.00 60.11 C ATOM 0 H VAL B 27 -8.012 1.057 -2.867 1.00 30.05 H new ATOM 0 HA VAL B 27 -9.531 -0.040 -0.769 1.00 52.22 H new ATOM 0 HB VAL B 27 -7.533 -1.212 -0.049 1.00 75.34 H new ATOM 0 HG11 VAL B 27 -7.071 -2.457 -2.186 1.00 13.43 H new ATOM 0 HG12 VAL B 27 -8.805 -2.125 -1.962 1.00 13.43 H new ATOM 0 HG13 VAL B 27 -7.849 -1.140 -3.095 1.00 13.43 H new ATOM 0 HG21 VAL B 27 -5.359 -1.000 -1.221 1.00 60.11 H new ATOM 0 HG22 VAL B 27 -5.979 0.431 -2.079 1.00 60.11 H new ATOM 0 HG23 VAL B 27 -5.793 0.465 -0.309 1.00 60.11 H new ATOM 1994 N CYS B 28 -7.343 2.305 0.131 1.00 5.15 N ATOM 1995 CA CYS B 28 -6.954 3.277 1.154 1.00 63.44 C ATOM 1996 C CYS B 28 -8.108 4.246 1.492 1.00 73.42 C ATOM 1997 O CYS B 28 -8.212 4.715 2.628 1.00 32.13 O ATOM 1998 CB CYS B 28 -5.712 4.038 0.659 1.00 54.14 C ATOM 1999 SG CYS B 28 -4.265 2.982 0.399 1.00 53.43 S ATOM 0 H CYS B 28 -6.793 2.377 -0.725 1.00 5.15 H new ATOM 0 HA CYS B 28 -6.717 2.749 2.078 1.00 63.44 H new ATOM 0 HB2 CYS B 28 -5.955 4.542 -0.276 1.00 54.14 H new ATOM 0 HB3 CYS B 28 -5.460 4.813 1.383 1.00 54.14 H new ATOM 0 HG CYS B 28 -4.233 2.587 -0.839 1.00 53.43 H new ATOM 2005 N GLY B 29 -8.973 4.510 0.488 1.00 65.30 N ATOM 2006 CA GLY B 29 -10.150 5.360 0.655 1.00 32.22 C ATOM 2007 C GLY B 29 -11.159 4.784 1.646 1.00 2.42 C ATOM 2008 O GLY B 29 -11.629 5.500 2.537 1.00 53.32 O ATOM 0 H GLY B 29 -8.866 4.136 -0.455 1.00 65.30 H new ATOM 0 HA2 GLY B 29 -9.835 6.346 0.996 1.00 32.22 H new ATOM 0 HA3 GLY B 29 -10.634 5.497 -0.312 1.00 32.22 H new ATOM 2012 N LEU B 30 -11.457 3.470 1.508 1.00 51.55 N ATOM 2013 CA LEU B 30 -12.441 2.765 2.363 1.00 21.25 C ATOM 2014 C LEU B 30 -11.986 2.710 3.838 1.00 74.22 C ATOM 2015 O LEU B 30 -12.806 2.866 4.749 1.00 33.32 O ATOM 2016 CB LEU B 30 -12.745 1.330 1.818 1.00 43.42 C ATOM 2017 CG LEU B 30 -13.859 1.220 0.712 1.00 25.03 C ATOM 2018 CD1 LEU B 30 -15.215 1.764 1.215 1.00 65.13 C ATOM 2019 CD2 LEU B 30 -13.450 1.899 -0.615 1.00 64.30 C ATOM 0 H LEU B 30 -11.024 2.872 0.804 1.00 51.55 H new ATOM 0 HA LEU B 30 -13.365 3.342 2.327 1.00 21.25 H new ATOM 0 HB2 LEU B 30 -11.821 0.916 1.414 1.00 43.42 H new ATOM 0 HB3 LEU B 30 -13.036 0.700 2.659 1.00 43.42 H new ATOM 0 HG LEU B 30 -13.976 0.157 0.502 1.00 25.03 H new ATOM 0 HD11 LEU B 30 -15.960 1.672 0.425 1.00 65.13 H new ATOM 0 HD12 LEU B 30 -15.536 1.192 2.085 1.00 65.13 H new ATOM 0 HD13 LEU B 30 -15.107 2.813 1.491 1.00 65.13 H new ATOM 0 HD21 LEU B 30 -14.256 1.792 -1.342 1.00 64.30 H new ATOM 0 HD22 LEU B 30 -13.258 2.957 -0.438 1.00 64.30 H new ATOM 0 HD23 LEU B 30 -12.547 1.427 -1.002 1.00 64.30 H new ATOM 2031 N PHE B 31 -10.676 2.503 4.059 1.00 54.42 N ATOM 2032 CA PHE B 31 -10.096 2.425 5.423 1.00 63.30 C ATOM 2033 C PHE B 31 -9.940 3.818 6.053 1.00 21.00 C ATOM 2034 O PHE B 31 -10.017 3.962 7.278 1.00 3.13 O ATOM 2035 CB PHE B 31 -8.754 1.656 5.403 1.00 61.34 C ATOM 2036 CG PHE B 31 -8.914 0.213 4.920 1.00 21.41 C ATOM 2037 CD1 PHE B 31 -9.596 -0.727 5.697 1.00 70.43 C ATOM 2038 CD2 PHE B 31 -8.437 -0.191 3.675 1.00 71.31 C ATOM 2039 CE1 PHE B 31 -9.774 -2.019 5.243 1.00 23.24 C ATOM 2040 CE2 PHE B 31 -8.625 -1.477 3.222 1.00 14.24 C ATOM 2041 CZ PHE B 31 -9.294 -2.390 4.003 1.00 42.51 C ATOM 0 H PHE B 31 -9.992 2.386 3.312 1.00 54.42 H new ATOM 0 HA PHE B 31 -10.792 1.869 6.051 1.00 63.30 H new ATOM 0 HB2 PHE B 31 -8.050 2.177 4.754 1.00 61.34 H new ATOM 0 HB3 PHE B 31 -8.324 1.655 6.405 1.00 61.34 H new ATOM 0 HD1 PHE B 31 -9.988 -0.440 6.662 1.00 70.43 H new ATOM 0 HD2 PHE B 31 -7.910 0.518 3.054 1.00 71.31 H new ATOM 0 HE1 PHE B 31 -10.290 -2.741 5.859 1.00 23.24 H new ATOM 0 HE2 PHE B 31 -8.247 -1.769 2.253 1.00 14.24 H new ATOM 0 HZ PHE B 31 -9.444 -3.398 3.646 1.00 42.51 H new ATOM 2051 N ALA B 32 -9.738 4.842 5.204 1.00 64.03 N ATOM 2052 CA ALA B 32 -9.645 6.243 5.652 1.00 4.31 C ATOM 2053 C ALA B 32 -10.998 6.737 6.208 1.00 63.41 C ATOM 2054 O ALA B 32 -11.049 7.403 7.246 1.00 35.34 O ATOM 2055 CB ALA B 32 -9.159 7.144 4.503 1.00 21.15 C ATOM 0 H ALA B 32 -9.635 4.723 4.196 1.00 64.03 H new ATOM 0 HA ALA B 32 -8.915 6.296 6.460 1.00 4.31 H new ATOM 0 HB1 ALA B 32 -9.096 8.175 4.851 1.00 21.15 H new ATOM 0 HB2 ALA B 32 -8.175 6.812 4.172 1.00 21.15 H new ATOM 0 HB3 ALA B 32 -9.861 7.084 3.672 1.00 21.15 H new ATOM 2061 N ARG B 33 -12.091 6.367 5.514 1.00 10.22 N ATOM 2062 CA ARG B 33 -13.465 6.773 5.891 1.00 53.33 C ATOM 2063 C ARG B 33 -14.115 5.768 6.870 1.00 42.22 C ATOM 2064 O ARG B 33 -15.261 5.958 7.284 1.00 1.32 O ATOM 2065 CB ARG B 33 -14.334 6.915 4.614 1.00 44.23 C ATOM 2066 CG ARG B 33 -14.595 5.586 3.871 1.00 34.11 C ATOM 2067 CD ARG B 33 -15.365 5.772 2.557 1.00 71.30 C ATOM 2068 NE ARG B 33 -16.681 6.401 2.776 1.00 35.53 N ATOM 2069 CZ ARG B 33 -17.423 7.004 1.835 1.00 24.22 C ATOM 2070 NH1 ARG B 33 -17.003 7.077 0.572 1.00 25.23 N ATOM 2071 NH2 ARG B 33 -18.589 7.545 2.171 1.00 34.11 N ATOM 0 H ARG B 33 -12.051 5.781 4.680 1.00 10.22 H new ATOM 0 HA ARG B 33 -13.404 7.733 6.404 1.00 53.33 H new ATOM 0 HB2 ARG B 33 -15.291 7.359 4.888 1.00 44.23 H new ATOM 0 HB3 ARG B 33 -13.845 7.609 3.931 1.00 44.23 H new ATOM 0 HG2 ARG B 33 -13.642 5.101 3.661 1.00 34.11 H new ATOM 0 HG3 ARG B 33 -15.157 4.917 4.523 1.00 34.11 H new ATOM 0 HD2 ARG B 33 -14.777 6.387 1.876 1.00 71.30 H new ATOM 0 HD3 ARG B 33 -15.501 4.804 2.075 1.00 71.30 H new ATOM 0 HE ARG B 33 -17.059 6.375 3.723 1.00 35.53 H new ATOM 0 HH11 ARG B 33 -16.105 6.671 0.309 1.00 25.23 H new ATOM 0 HH12 ARG B 33 -17.579 7.539 -0.131 1.00 25.23 H new ATOM 0 HH21 ARG B 33 -18.913 7.500 3.137 1.00 34.11 H new ATOM 0 HH22 ARG B 33 -19.160 8.006 1.463 1.00 34.11 H new ATOM 2085 N ARG B 34 -13.380 4.694 7.226 1.00 0.53 N ATOM 2086 CA ARG B 34 -13.880 3.642 8.130 1.00 3.20 C ATOM 2087 C ARG B 34 -13.959 4.198 9.561 1.00 25.22 C ATOM 2088 O ARG B 34 -15.047 4.374 10.107 1.00 12.11 O ATOM 2089 CB ARG B 34 -12.964 2.377 8.027 1.00 31.12 C ATOM 2090 CG ARG B 34 -13.423 1.114 8.816 1.00 11.34 C ATOM 2091 CD ARG B 34 -12.922 1.073 10.275 1.00 21.34 C ATOM 2092 NE ARG B 34 -11.446 0.994 10.363 1.00 31.44 N ATOM 2093 CZ ARG B 34 -10.745 0.533 11.425 1.00 23.14 C ATOM 2094 NH1 ARG B 34 -11.354 0.112 12.521 1.00 64.04 N ATOM 2095 NH2 ARG B 34 -9.422 0.498 11.370 1.00 52.55 N ATOM 0 H ARG B 34 -12.428 4.534 6.896 1.00 0.53 H new ATOM 0 HA ARG B 34 -14.885 3.335 7.840 1.00 3.20 H new ATOM 0 HB2 ARG B 34 -12.874 2.107 6.975 1.00 31.12 H new ATOM 0 HB3 ARG B 34 -11.967 2.650 8.372 1.00 31.12 H new ATOM 0 HG2 ARG B 34 -14.512 1.073 8.815 1.00 11.34 H new ATOM 0 HG3 ARG B 34 -13.070 0.224 8.295 1.00 11.34 H new ATOM 0 HD2 ARG B 34 -13.267 1.964 10.800 1.00 21.34 H new ATOM 0 HD3 ARG B 34 -13.360 0.214 10.783 1.00 21.34 H new ATOM 0 HE ARG B 34 -10.912 1.314 9.555 1.00 31.44 H new ATOM 0 HH11 ARG B 34 -12.372 0.131 12.578 1.00 64.04 H new ATOM 0 HH12 ARG B 34 -10.805 -0.231 13.309 1.00 64.04 H new ATOM 0 HH21 ARG B 34 -8.938 0.817 10.531 1.00 52.55 H new ATOM 0 HH22 ARG B 34 -8.887 0.152 12.167 1.00 52.55 H new ATOM 2109 N ALA B 35 -12.785 4.508 10.122 1.00 2.15 N ATOM 2110 CA ALA B 35 -12.626 5.001 11.507 1.00 60.52 C ATOM 2111 C ALA B 35 -11.136 5.223 11.747 1.00 5.24 C ATOM 2112 O ALA B 35 -10.684 6.332 12.040 1.00 74.13 O ATOM 2113 CB ALA B 35 -13.205 4.008 12.551 1.00 12.23 C ATOM 0 H ALA B 35 -11.899 4.424 9.623 1.00 2.15 H new ATOM 0 HA ALA B 35 -13.183 5.930 11.627 1.00 60.52 H new ATOM 0 HB1 ALA B 35 -13.066 4.412 13.554 1.00 12.23 H new ATOM 0 HB2 ALA B 35 -14.269 3.862 12.363 1.00 12.23 H new ATOM 0 HB3 ALA B 35 -12.688 3.052 12.470 1.00 12.23 H new ATOM 2119 N PHE B 36 -10.383 4.132 11.586 1.00 1.10 N ATOM 2120 CA PHE B 36 -8.922 4.125 11.658 1.00 11.11 C ATOM 2121 C PHE B 36 -8.391 3.570 10.329 1.00 52.20 C ATOM 2122 O PHE B 36 -9.038 2.724 9.688 1.00 22.44 O ATOM 2123 CB PHE B 36 -8.431 3.275 12.868 1.00 44.10 C ATOM 2124 CG PHE B 36 -6.905 3.131 12.963 1.00 42.12 C ATOM 2125 CD1 PHE B 36 -6.089 4.250 13.179 1.00 62.52 C ATOM 2126 CD2 PHE B 36 -6.283 1.885 12.817 1.00 3.14 C ATOM 2127 CE1 PHE B 36 -4.710 4.122 13.235 1.00 2.53 C ATOM 2128 CE2 PHE B 36 -4.905 1.765 12.870 1.00 11.02 C ATOM 2129 CZ PHE B 36 -4.121 2.882 13.085 1.00 21.21 C ATOM 0 H PHE B 36 -10.781 3.212 11.398 1.00 1.10 H new ATOM 0 HA PHE B 36 -8.544 5.135 11.813 1.00 11.11 H new ATOM 0 HB2 PHE B 36 -8.799 3.728 13.788 1.00 44.10 H new ATOM 0 HB3 PHE B 36 -8.874 2.281 12.802 1.00 44.10 H new ATOM 0 HD1 PHE B 36 -6.540 5.223 13.303 1.00 62.52 H new ATOM 0 HD2 PHE B 36 -6.888 1.004 12.661 1.00 3.14 H new ATOM 0 HE1 PHE B 36 -4.094 4.995 13.396 1.00 2.53 H new ATOM 0 HE2 PHE B 36 -4.442 0.797 12.743 1.00 11.02 H new ATOM 0 HZ PHE B 36 -3.047 2.785 13.136 1.00 21.21 H new ATOM 2139 N ASN B 37 -7.212 4.047 9.936 1.00 35.24 N ATOM 2140 CA ASN B 37 -6.564 3.692 8.663 1.00 72.25 C ATOM 2141 C ASN B 37 -5.869 2.320 8.749 1.00 1.35 C ATOM 2142 O ASN B 37 -6.060 1.572 9.711 1.00 51.30 O ATOM 2143 CB ASN B 37 -5.550 4.803 8.308 1.00 12.33 C ATOM 2144 CG ASN B 37 -6.212 6.166 8.199 1.00 61.20 C ATOM 2145 OD1 ASN B 37 -6.329 6.890 9.183 1.00 51.03 O ATOM 2146 ND2 ASN B 37 -6.664 6.523 7.007 1.00 53.11 N ATOM 0 H ASN B 37 -6.667 4.701 10.497 1.00 35.24 H new ATOM 0 HA ASN B 37 -7.319 3.613 7.881 1.00 72.25 H new ATOM 0 HB2 ASN B 37 -4.771 4.839 9.069 1.00 12.33 H new ATOM 0 HB3 ASN B 37 -5.063 4.560 7.364 1.00 12.33 H new ATOM 0 HD21 ASN B 37 -7.126 7.424 6.886 1.00 53.11 H new ATOM 0 HD22 ASN B 37 -6.550 5.897 6.210 1.00 53.11 H new ATOM 2153 N VAL B 38 -5.085 1.990 7.713 1.00 4.40 N ATOM 2154 CA VAL B 38 -4.300 0.749 7.670 1.00 74.43 C ATOM 2155 C VAL B 38 -2.993 0.930 8.474 1.00 23.32 C ATOM 2156 O VAL B 38 -2.386 2.002 8.441 1.00 44.50 O ATOM 2157 CB VAL B 38 -3.957 0.341 6.187 1.00 21.14 C ATOM 2158 CG1 VAL B 38 -3.331 -1.063 6.134 1.00 41.02 C ATOM 2159 CG2 VAL B 38 -5.195 0.422 5.269 1.00 10.33 C ATOM 0 H VAL B 38 -4.978 2.574 6.884 1.00 4.40 H new ATOM 0 HA VAL B 38 -4.899 -0.047 8.113 1.00 74.43 H new ATOM 0 HB VAL B 38 -3.226 1.059 5.815 1.00 21.14 H new ATOM 0 HG11 VAL B 38 -3.103 -1.321 5.100 1.00 41.02 H new ATOM 0 HG12 VAL B 38 -2.413 -1.074 6.721 1.00 41.02 H new ATOM 0 HG13 VAL B 38 -4.033 -1.790 6.543 1.00 41.02 H new ATOM 0 HG21 VAL B 38 -4.916 0.133 4.256 1.00 10.33 H new ATOM 0 HG22 VAL B 38 -5.967 -0.252 5.639 1.00 10.33 H new ATOM 0 HG23 VAL B 38 -5.577 1.443 5.263 1.00 10.33 H new ATOM 2169 N GLU B 39 -2.594 -0.116 9.207 1.00 72.51 N ATOM 2170 CA GLU B 39 -1.324 -0.141 9.955 1.00 72.22 C ATOM 2171 C GLU B 39 -0.162 -0.496 8.995 1.00 54.33 C ATOM 2172 O GLU B 39 0.865 0.195 8.963 1.00 30.50 O ATOM 2173 CB GLU B 39 -1.438 -1.163 11.123 1.00 2.12 C ATOM 2174 CG GLU B 39 -0.263 -1.157 12.128 1.00 5.52 C ATOM 2175 CD GLU B 39 -0.066 0.213 12.825 1.00 72.42 C ATOM 2176 OE1 GLU B 39 -0.943 0.609 13.628 1.00 43.10 O ATOM 2177 OE2 GLU B 39 0.963 0.888 12.575 1.00 43.40 O ATOM 0 H GLU B 39 -3.141 -0.972 9.301 1.00 72.51 H new ATOM 0 HA GLU B 39 -1.116 0.841 10.381 1.00 72.22 H new ATOM 0 HB2 GLU B 39 -2.361 -0.964 11.668 1.00 2.12 H new ATOM 0 HB3 GLU B 39 -1.527 -2.164 10.700 1.00 2.12 H new ATOM 0 HG2 GLU B 39 -0.437 -1.922 12.885 1.00 5.52 H new ATOM 0 HG3 GLU B 39 0.655 -1.428 11.606 1.00 5.52 H new ATOM 2184 N GLY B 40 -0.360 -1.560 8.181 1.00 61.51 N ATOM 2185 CA GLY B 40 0.658 -2.024 7.223 1.00 1.32 C ATOM 2186 C GLY B 40 0.043 -2.586 5.947 1.00 42.03 C ATOM 2187 O GLY B 40 -1.038 -3.148 5.986 1.00 60.44 O ATOM 0 H GLY B 40 -1.219 -2.110 8.173 1.00 61.51 H new ATOM 0 HA2 GLY B 40 1.319 -1.195 6.970 1.00 1.32 H new ATOM 0 HA3 GLY B 40 1.274 -2.790 7.694 1.00 1.32 H new ATOM 2191 N ILE B 41 0.741 -2.445 4.813 1.00 30.44 N ATOM 2192 CA ILE B 41 0.231 -2.834 3.470 1.00 50.10 C ATOM 2193 C ILE B 41 1.289 -3.702 2.768 1.00 54.42 C ATOM 2194 O ILE B 41 2.485 -3.530 3.004 1.00 70.14 O ATOM 2195 CB ILE B 41 -0.075 -1.553 2.574 1.00 60.52 C ATOM 2196 CG1 ILE B 41 -1.072 -0.590 3.293 1.00 32.13 C ATOM 2197 CG2 ILE B 41 -0.611 -1.936 1.171 1.00 22.43 C ATOM 2198 CD1 ILE B 41 -1.381 0.697 2.544 1.00 62.25 C ATOM 0 H ILE B 41 1.684 -2.056 4.790 1.00 30.44 H new ATOM 0 HA ILE B 41 -0.698 -3.389 3.599 1.00 50.10 H new ATOM 0 HB ILE B 41 0.873 -1.033 2.433 1.00 60.52 H new ATOM 0 HG12 ILE B 41 -2.006 -1.124 3.467 1.00 32.13 H new ATOM 0 HG13 ILE B 41 -0.664 -0.334 4.271 1.00 32.13 H new ATOM 0 HG21 ILE B 41 -0.805 -1.031 0.596 1.00 22.43 H new ATOM 0 HG22 ILE B 41 0.130 -2.543 0.652 1.00 22.43 H new ATOM 0 HG23 ILE B 41 -1.535 -2.504 1.277 1.00 22.43 H new ATOM 0 HD11 ILE B 41 -2.082 1.297 3.125 1.00 62.25 H new ATOM 0 HD12 ILE B 41 -0.460 1.260 2.393 1.00 62.25 H new ATOM 0 HD13 ILE B 41 -1.823 0.458 1.577 1.00 62.25 H new ATOM 2210 N LEU B 42 0.845 -4.633 1.912 1.00 2.02 N ATOM 2211 CA LEU B 42 1.744 -5.413 1.051 1.00 21.13 C ATOM 2212 C LEU B 42 1.017 -5.785 -0.250 1.00 14.55 C ATOM 2213 O LEU B 42 0.243 -6.730 -0.298 1.00 53.33 O ATOM 2214 CB LEU B 42 2.293 -6.654 1.814 1.00 50.45 C ATOM 2215 CG LEU B 42 3.202 -7.656 1.011 1.00 53.21 C ATOM 2216 CD1 LEU B 42 4.271 -6.946 0.152 1.00 64.23 C ATOM 2217 CD2 LEU B 42 3.848 -8.662 1.981 1.00 15.20 C ATOM 0 H LEU B 42 -0.142 -4.865 1.797 1.00 2.02 H new ATOM 0 HA LEU B 42 2.611 -4.811 0.780 1.00 21.13 H new ATOM 0 HB2 LEU B 42 2.862 -6.297 2.672 1.00 50.45 H new ATOM 0 HB3 LEU B 42 1.442 -7.212 2.206 1.00 50.45 H new ATOM 0 HG LEU B 42 2.560 -8.189 0.309 1.00 53.21 H new ATOM 0 HD11 LEU B 42 4.866 -7.690 -0.377 1.00 64.23 H new ATOM 0 HD12 LEU B 42 3.782 -6.292 -0.570 1.00 64.23 H new ATOM 0 HD13 LEU B 42 4.921 -6.354 0.796 1.00 64.23 H new ATOM 0 HD21 LEU B 42 4.477 -9.354 1.421 1.00 15.20 H new ATOM 0 HD22 LEU B 42 4.457 -8.126 2.709 1.00 15.20 H new ATOM 0 HD23 LEU B 42 3.068 -9.219 2.500 1.00 15.20 H new ATOM 2229 N CYS B 43 1.240 -4.967 -1.282 1.00 1.34 N ATOM 2230 CA CYS B 43 0.751 -5.200 -2.644 1.00 4.24 C ATOM 2231 C CYS B 43 1.816 -5.969 -3.448 1.00 1.13 C ATOM 2232 O CYS B 43 2.879 -5.414 -3.757 1.00 41.43 O ATOM 2233 CB CYS B 43 0.432 -3.844 -3.311 1.00 24.24 C ATOM 2234 SG CYS B 43 -0.131 -3.934 -5.023 1.00 45.24 S ATOM 0 H CYS B 43 1.778 -4.105 -1.192 1.00 1.34 H new ATOM 0 HA CYS B 43 -0.160 -5.798 -2.617 1.00 4.24 H new ATOM 0 HB2 CYS B 43 -0.333 -3.340 -2.721 1.00 24.24 H new ATOM 0 HB3 CYS B 43 1.326 -3.221 -3.273 1.00 24.24 H new ATOM 0 HG CYS B 43 -0.382 -5.171 -5.333 1.00 45.24 H new ATOM 2240 N LEU B 44 1.529 -7.249 -3.741 1.00 70.43 N ATOM 2241 CA LEU B 44 2.413 -8.138 -4.517 1.00 2.13 C ATOM 2242 C LEU B 44 1.882 -8.233 -5.969 1.00 25.12 C ATOM 2243 O LEU B 44 0.902 -8.953 -6.209 1.00 51.15 O ATOM 2244 CB LEU B 44 2.450 -9.551 -3.858 1.00 14.40 C ATOM 2245 CG LEU B 44 3.508 -10.565 -4.426 1.00 13.13 C ATOM 2246 CD1 LEU B 44 4.942 -10.154 -4.032 1.00 43.44 C ATOM 2247 CD2 LEU B 44 3.201 -12.014 -3.979 1.00 31.33 C ATOM 0 H LEU B 44 0.665 -7.702 -3.442 1.00 70.43 H new ATOM 0 HA LEU B 44 3.426 -7.736 -4.530 1.00 2.13 H new ATOM 0 HB2 LEU B 44 2.637 -9.425 -2.792 1.00 14.40 H new ATOM 0 HB3 LEU B 44 1.461 -9.999 -3.957 1.00 14.40 H new ATOM 0 HG LEU B 44 3.439 -10.535 -5.513 1.00 13.13 H new ATOM 0 HD11 LEU B 44 5.652 -10.874 -4.439 1.00 43.44 H new ATOM 0 HD12 LEU B 44 5.160 -9.164 -4.432 1.00 43.44 H new ATOM 0 HD13 LEU B 44 5.029 -10.133 -2.946 1.00 43.44 H new ATOM 0 HD21 LEU B 44 3.952 -12.688 -4.390 1.00 31.33 H new ATOM 0 HD22 LEU B 44 3.219 -12.071 -2.891 1.00 31.33 H new ATOM 0 HD23 LEU B 44 2.215 -12.305 -4.341 1.00 31.33 H new ATOM 2259 N PRO B 45 2.482 -7.481 -6.953 1.00 43.13 N ATOM 2260 CA PRO B 45 2.029 -7.507 -8.365 1.00 72.34 C ATOM 2261 C PRO B 45 2.408 -8.835 -9.051 1.00 54.34 C ATOM 2262 O PRO B 45 3.580 -9.236 -9.040 1.00 32.33 O ATOM 2263 CB PRO B 45 2.758 -6.295 -8.996 1.00 63.55 C ATOM 2264 CG PRO B 45 4.005 -6.121 -8.175 1.00 11.20 C ATOM 2265 CD PRO B 45 3.638 -6.552 -6.764 1.00 73.32 C ATOM 0 HA PRO B 45 0.946 -7.442 -8.471 1.00 72.34 H new ATOM 0 HB2 PRO B 45 2.997 -6.480 -10.043 1.00 63.55 H new ATOM 0 HB3 PRO B 45 2.136 -5.400 -8.964 1.00 63.55 H new ATOM 0 HG2 PRO B 45 4.820 -6.728 -8.569 1.00 11.20 H new ATOM 0 HG3 PRO B 45 4.342 -5.085 -8.192 1.00 11.20 H new ATOM 0 HD2 PRO B 45 4.472 -7.050 -6.270 1.00 73.32 H new ATOM 0 HD3 PRO B 45 3.365 -5.697 -6.145 1.00 73.32 H new ATOM 2273 N ILE B 46 1.406 -9.522 -9.627 1.00 35.14 N ATOM 2274 CA ILE B 46 1.594 -10.860 -10.207 1.00 65.25 C ATOM 2275 C ILE B 46 2.055 -10.743 -11.678 1.00 20.11 C ATOM 2276 O ILE B 46 1.444 -10.044 -12.478 1.00 12.42 O ATOM 2277 CB ILE B 46 0.296 -11.733 -10.077 1.00 22.43 C ATOM 2278 CG1 ILE B 46 -0.235 -11.746 -8.593 1.00 11.21 C ATOM 2279 CG2 ILE B 46 0.523 -13.175 -10.604 1.00 10.32 C ATOM 2280 CD1 ILE B 46 0.742 -12.251 -7.537 1.00 14.55 C ATOM 0 H ILE B 46 0.452 -9.168 -9.703 1.00 35.14 H new ATOM 0 HA ILE B 46 2.375 -11.371 -9.643 1.00 65.25 H new ATOM 0 HB ILE B 46 -0.470 -11.274 -10.702 1.00 22.43 H new ATOM 0 HG12 ILE B 46 -0.535 -10.732 -8.327 1.00 11.21 H new ATOM 0 HG13 ILE B 46 -1.132 -12.364 -8.555 1.00 11.21 H new ATOM 0 HG21 ILE B 46 -0.397 -13.750 -10.498 1.00 10.32 H new ATOM 0 HG22 ILE B 46 0.808 -13.137 -11.655 1.00 10.32 H new ATOM 0 HG23 ILE B 46 1.317 -13.652 -10.029 1.00 10.32 H new ATOM 0 HD11 ILE B 46 0.268 -12.215 -6.556 1.00 14.55 H new ATOM 0 HD12 ILE B 46 1.025 -13.278 -7.765 1.00 14.55 H new ATOM 0 HD13 ILE B 46 1.632 -11.621 -7.534 1.00 14.55 H new ATOM 2292 N GLN B 47 3.118 -11.491 -12.008 1.00 75.33 N ATOM 2293 CA GLN B 47 3.937 -11.309 -13.225 1.00 54.33 C ATOM 2294 C GLN B 47 3.169 -11.507 -14.550 1.00 53.54 C ATOM 2295 O GLN B 47 3.314 -10.710 -15.472 1.00 5.33 O ATOM 2296 CB GLN B 47 5.137 -12.292 -13.154 1.00 60.13 C ATOM 2297 CG GLN B 47 6.013 -12.354 -14.419 1.00 25.21 C ATOM 2298 CD GLN B 47 7.216 -13.289 -14.284 1.00 65.44 C ATOM 2299 OE1 GLN B 47 7.787 -13.450 -13.203 1.00 71.22 O ATOM 2300 NE2 GLN B 47 7.598 -13.930 -15.373 1.00 1.23 N ATOM 0 H GLN B 47 3.444 -12.261 -11.423 1.00 75.33 H new ATOM 0 HA GLN B 47 4.265 -10.269 -13.238 1.00 54.33 H new ATOM 0 HB2 GLN B 47 5.766 -12.011 -12.310 1.00 60.13 H new ATOM 0 HB3 GLN B 47 4.755 -13.292 -12.947 1.00 60.13 H new ATOM 0 HG2 GLN B 47 5.401 -12.682 -15.259 1.00 25.21 H new ATOM 0 HG3 GLN B 47 6.368 -11.351 -14.655 1.00 25.21 H new ATOM 0 HE21 GLN B 47 7.107 -13.777 -16.254 1.00 1.23 H new ATOM 0 HE22 GLN B 47 8.384 -14.578 -15.334 1.00 1.23 H new ATOM 2309 N ASP B 48 2.381 -12.581 -14.640 1.00 44.43 N ATOM 2310 CA ASP B 48 1.835 -13.074 -15.934 1.00 23.55 C ATOM 2311 C ASP B 48 0.300 -13.032 -15.986 1.00 43.30 C ATOM 2312 O ASP B 48 -0.312 -13.545 -16.932 1.00 42.33 O ATOM 2313 CB ASP B 48 2.337 -14.522 -16.161 1.00 20.20 C ATOM 2314 CG ASP B 48 1.773 -15.525 -15.135 1.00 74.22 C ATOM 2315 OD1 ASP B 48 2.057 -15.374 -13.919 1.00 55.33 O ATOM 2316 OD2 ASP B 48 1.049 -16.460 -15.529 1.00 74.12 O ATOM 0 H ASP B 48 2.098 -13.138 -13.834 1.00 44.43 H new ATOM 0 HA ASP B 48 2.189 -12.413 -16.725 1.00 23.55 H new ATOM 0 HB2 ASP B 48 2.059 -14.843 -17.165 1.00 20.20 H new ATOM 0 HB3 ASP B 48 3.426 -14.535 -16.112 1.00 20.20 H new ATOM 2321 N SER B 49 -0.318 -12.425 -14.977 1.00 5.03 N ATOM 2322 CA SER B 49 -1.786 -12.347 -14.854 1.00 40.52 C ATOM 2323 C SER B 49 -2.178 -10.965 -14.331 1.00 35.14 C ATOM 2324 O SER B 49 -1.519 -10.461 -13.414 1.00 71.22 O ATOM 2325 CB SER B 49 -2.299 -13.462 -13.905 1.00 15.34 C ATOM 2326 OG SER B 49 -2.010 -14.763 -14.405 1.00 62.40 O ATOM 0 H SER B 49 0.180 -11.968 -14.213 1.00 5.03 H new ATOM 0 HA SER B 49 -2.244 -12.496 -15.832 1.00 40.52 H new ATOM 0 HB2 SER B 49 -1.841 -13.341 -12.923 1.00 15.34 H new ATOM 0 HB3 SER B 49 -3.375 -13.356 -13.770 1.00 15.34 H new ATOM 0 HG SER B 49 -2.347 -15.437 -13.778 1.00 62.40 H new ATOM 2332 N ASP B 50 -3.240 -10.360 -14.921 1.00 53.42 N ATOM 2333 CA ASP B 50 -3.753 -9.036 -14.513 1.00 33.21 C ATOM 2334 C ASP B 50 -4.389 -9.118 -13.116 1.00 44.24 C ATOM 2335 O ASP B 50 -5.617 -9.231 -12.966 1.00 20.11 O ATOM 2336 CB ASP B 50 -4.762 -8.486 -15.555 1.00 21.44 C ATOM 2337 CG ASP B 50 -4.120 -8.250 -16.931 1.00 3.13 C ATOM 2338 OD1 ASP B 50 -4.114 -9.184 -17.762 1.00 61.21 O ATOM 2339 OD2 ASP B 50 -3.632 -7.124 -17.188 1.00 53.15 O ATOM 0 H ASP B 50 -3.761 -10.779 -15.691 1.00 53.42 H new ATOM 0 HA ASP B 50 -2.915 -8.341 -14.467 1.00 33.21 H new ATOM 0 HB2 ASP B 50 -5.589 -9.188 -15.660 1.00 21.44 H new ATOM 0 HB3 ASP B 50 -5.183 -7.549 -15.189 1.00 21.44 H new ATOM 2344 N LYS B 51 -3.515 -9.119 -12.106 1.00 44.01 N ATOM 2345 CA LYS B 51 -3.875 -9.256 -10.704 1.00 13.33 C ATOM 2346 C LYS B 51 -2.684 -8.855 -9.824 1.00 12.21 C ATOM 2347 O LYS B 51 -1.528 -8.941 -10.236 1.00 3.00 O ATOM 2348 CB LYS B 51 -4.320 -10.709 -10.377 1.00 13.31 C ATOM 2349 CG LYS B 51 -3.279 -11.792 -10.728 1.00 4.33 C ATOM 2350 CD LYS B 51 -3.572 -13.173 -10.095 1.00 20.52 C ATOM 2351 CE LYS B 51 -4.905 -13.780 -10.543 1.00 72.30 C ATOM 2352 NZ LYS B 51 -5.091 -15.154 -9.998 1.00 1.23 N ATOM 0 H LYS B 51 -2.510 -9.021 -12.252 1.00 44.01 H new ATOM 0 HA LYS B 51 -4.717 -8.595 -10.498 1.00 13.33 H new ATOM 0 HB2 LYS B 51 -4.549 -10.775 -9.313 1.00 13.31 H new ATOM 0 HB3 LYS B 51 -5.243 -10.923 -10.916 1.00 13.31 H new ATOM 0 HG2 LYS B 51 -3.235 -11.902 -11.812 1.00 4.33 H new ATOM 0 HG3 LYS B 51 -2.295 -11.455 -10.402 1.00 4.33 H new ATOM 0 HD2 LYS B 51 -2.765 -13.860 -10.351 1.00 20.52 H new ATOM 0 HD3 LYS B 51 -3.574 -13.073 -9.010 1.00 20.52 H new ATOM 0 HE2 LYS B 51 -5.725 -13.143 -10.213 1.00 72.30 H new ATOM 0 HE3 LYS B 51 -4.944 -13.811 -11.632 1.00 72.30 H new ATOM 0 HZ1 LYS B 51 -6.003 -15.535 -10.321 1.00 1.23 H new ATOM 0 HZ2 LYS B 51 -4.321 -15.768 -10.333 1.00 1.23 H new ATOM 0 HZ3 LYS B 51 -5.078 -15.120 -8.959 1.00 1.23 H new ATOM 2366 N SER B 52 -2.993 -8.465 -8.604 1.00 61.34 N ATOM 2367 CA SER B 52 -2.035 -8.040 -7.598 1.00 4.32 C ATOM 2368 C SER B 52 -2.678 -8.335 -6.249 1.00 75.43 C ATOM 2369 O SER B 52 -3.839 -7.979 -6.031 1.00 31.21 O ATOM 2370 CB SER B 52 -1.713 -6.531 -7.752 1.00 30.35 C ATOM 2371 OG SER B 52 -0.716 -6.122 -6.834 1.00 14.22 O ATOM 0 H SER B 52 -3.957 -8.433 -8.271 1.00 61.34 H new ATOM 0 HA SER B 52 -1.087 -8.568 -7.700 1.00 4.32 H new ATOM 0 HB2 SER B 52 -1.378 -6.330 -8.770 1.00 30.35 H new ATOM 0 HB3 SER B 52 -2.619 -5.946 -7.593 1.00 30.35 H new ATOM 0 HG SER B 52 -0.638 -5.145 -6.849 1.00 14.22 H new ATOM 2377 N HIS B 53 -1.965 -9.029 -5.364 1.00 62.15 N ATOM 2378 CA HIS B 53 -2.519 -9.484 -4.080 1.00 55.21 C ATOM 2379 C HIS B 53 -2.085 -8.522 -2.966 1.00 51.15 C ATOM 2380 O HIS B 53 -0.924 -8.538 -2.559 1.00 0.51 O ATOM 2381 CB HIS B 53 -2.047 -10.956 -3.787 1.00 21.31 C ATOM 2382 CG HIS B 53 -3.158 -11.939 -3.522 1.00 34.44 C ATOM 2383 ND1 HIS B 53 -2.990 -13.308 -3.598 1.00 45.25 N ATOM 2384 CD2 HIS B 53 -4.457 -11.747 -3.195 1.00 54.31 C ATOM 2385 CE1 HIS B 53 -4.135 -13.908 -3.337 1.00 22.44 C ATOM 2386 NE2 HIS B 53 -5.036 -12.982 -3.090 1.00 25.44 N ATOM 0 H HIS B 53 -0.991 -9.293 -5.511 1.00 62.15 H new ATOM 0 HA HIS B 53 -3.608 -9.485 -4.124 1.00 55.21 H new ATOM 0 HB2 HIS B 53 -1.463 -11.310 -4.637 1.00 21.31 H new ATOM 0 HB3 HIS B 53 -1.380 -10.943 -2.925 1.00 21.31 H new ATOM 0 HD2 HIS B 53 -4.946 -10.796 -3.045 1.00 54.31 H new ATOM 0 HE1 HIS B 53 -4.304 -14.975 -3.328 1.00 22.44 H new ATOM 0 HE2 HIS B 53 -6.013 -13.157 -2.857 1.00 25.44 H new ATOM 2395 N ILE B 54 -3.013 -7.669 -2.502 1.00 14.13 N ATOM 2396 CA ILE B 54 -2.735 -6.698 -1.434 1.00 65.30 C ATOM 2397 C ILE B 54 -3.267 -7.255 -0.113 1.00 63.34 C ATOM 2398 O ILE B 54 -4.454 -7.580 -0.010 1.00 22.21 O ATOM 2399 CB ILE B 54 -3.361 -5.257 -1.668 1.00 33.31 C ATOM 2400 CG1 ILE B 54 -3.033 -4.671 -3.077 1.00 72.21 C ATOM 2401 CG2 ILE B 54 -2.857 -4.279 -0.577 1.00 51.52 C ATOM 2402 CD1 ILE B 54 -3.755 -5.316 -4.226 1.00 52.22 C ATOM 0 H ILE B 54 -3.970 -7.634 -2.854 1.00 14.13 H new ATOM 0 HA ILE B 54 -1.654 -6.561 -1.422 1.00 65.30 H new ATOM 0 HB ILE B 54 -4.443 -5.373 -1.608 1.00 33.31 H new ATOM 0 HG12 ILE B 54 -3.268 -3.607 -3.073 1.00 72.21 H new ATOM 0 HG13 ILE B 54 -1.960 -4.760 -3.248 1.00 72.21 H new ATOM 0 HG21 ILE B 54 -3.290 -3.293 -0.744 1.00 51.52 H new ATOM 0 HG22 ILE B 54 -3.155 -4.645 0.405 1.00 51.52 H new ATOM 0 HG23 ILE B 54 -1.770 -4.210 -0.624 1.00 51.52 H new ATOM 0 HD11 ILE B 54 -3.457 -4.836 -5.158 1.00 52.22 H new ATOM 0 HD12 ILE B 54 -3.502 -6.375 -4.266 1.00 52.22 H new ATOM 0 HD13 ILE B 54 -4.831 -5.205 -4.088 1.00 52.22 H new ATOM 2414 N TRP B 55 -2.377 -7.394 0.869 1.00 62.24 N ATOM 2415 CA TRP B 55 -2.724 -7.774 2.236 1.00 44.34 C ATOM 2416 C TRP B 55 -2.784 -6.495 3.095 1.00 74.43 C ATOM 2417 O TRP B 55 -1.749 -5.863 3.350 1.00 32.03 O ATOM 2418 CB TRP B 55 -1.676 -8.783 2.776 1.00 11.03 C ATOM 2419 CG TRP B 55 -1.620 -10.082 1.983 1.00 35.52 C ATOM 2420 CD1 TRP B 55 -2.431 -11.168 2.126 1.00 51.40 C ATOM 2421 CD2 TRP B 55 -0.718 -10.415 0.922 1.00 33.13 C ATOM 2422 NE1 TRP B 55 -2.078 -12.146 1.235 1.00 25.23 N ATOM 2423 CE2 TRP B 55 -1.035 -11.710 0.485 1.00 50.13 C ATOM 2424 CE3 TRP B 55 0.327 -9.746 0.308 1.00 2.30 C ATOM 2425 CZ2 TRP B 55 -0.345 -12.343 -0.542 1.00 0.42 C ATOM 2426 CZ3 TRP B 55 1.010 -10.367 -0.712 1.00 31.53 C ATOM 2427 CH2 TRP B 55 0.672 -11.656 -1.130 1.00 70.22 C ATOM 0 H TRP B 55 -1.377 -7.243 0.733 1.00 62.24 H new ATOM 0 HA TRP B 55 -3.697 -8.263 2.270 1.00 44.34 H new ATOM 0 HB2 TRP B 55 -0.692 -8.315 2.762 1.00 11.03 H new ATOM 0 HB3 TRP B 55 -1.906 -9.011 3.817 1.00 11.03 H new ATOM 0 HD1 TRP B 55 -3.237 -11.246 2.840 1.00 51.40 H new ATOM 0 HE1 TRP B 55 -2.528 -13.057 1.149 1.00 25.23 H new ATOM 0 HE3 TRP B 55 0.602 -8.751 0.625 1.00 2.30 H new ATOM 0 HZ2 TRP B 55 -0.606 -13.341 -0.861 1.00 0.42 H new ATOM 0 HZ3 TRP B 55 1.823 -9.848 -1.199 1.00 31.53 H new ATOM 0 HH2 TRP B 55 1.228 -12.116 -1.934 1.00 70.22 H new ATOM 2438 N LEU B 56 -4.009 -6.078 3.468 1.00 20.44 N ATOM 2439 CA LEU B 56 -4.237 -4.885 4.307 1.00 51.14 C ATOM 2440 C LEU B 56 -4.262 -5.294 5.781 1.00 64.32 C ATOM 2441 O LEU B 56 -5.175 -5.998 6.211 1.00 24.41 O ATOM 2442 CB LEU B 56 -5.574 -4.161 3.951 1.00 15.13 C ATOM 2443 CG LEU B 56 -5.663 -3.470 2.551 1.00 71.22 C ATOM 2444 CD1 LEU B 56 -4.492 -2.487 2.326 1.00 44.12 C ATOM 2445 CD2 LEU B 56 -5.789 -4.503 1.414 1.00 14.01 C ATOM 0 H LEU B 56 -4.867 -6.558 3.197 1.00 20.44 H new ATOM 0 HA LEU B 56 -3.420 -4.189 4.117 1.00 51.14 H new ATOM 0 HB2 LEU B 56 -6.381 -4.890 4.020 1.00 15.13 H new ATOM 0 HB3 LEU B 56 -5.762 -3.405 4.713 1.00 15.13 H new ATOM 0 HG LEU B 56 -6.577 -2.876 2.536 1.00 71.22 H new ATOM 0 HD11 LEU B 56 -4.588 -2.026 1.343 1.00 44.12 H new ATOM 0 HD12 LEU B 56 -4.514 -1.713 3.093 1.00 44.12 H new ATOM 0 HD13 LEU B 56 -3.547 -3.027 2.383 1.00 44.12 H new ATOM 0 HD21 LEU B 56 -5.848 -3.985 0.457 1.00 14.01 H new ATOM 0 HD22 LEU B 56 -4.917 -5.158 1.419 1.00 14.01 H new ATOM 0 HD23 LEU B 56 -6.690 -5.098 1.561 1.00 14.01 H new ATOM 2457 N LEU B 57 -3.254 -4.847 6.530 1.00 34.34 N ATOM 2458 CA LEU B 57 -3.141 -5.069 7.978 1.00 21.35 C ATOM 2459 C LEU B 57 -3.875 -3.938 8.690 1.00 44.43 C ATOM 2460 O LEU B 57 -3.314 -2.862 8.899 1.00 50.15 O ATOM 2461 CB LEU B 57 -1.656 -5.083 8.437 1.00 15.22 C ATOM 2462 CG LEU B 57 -0.784 -6.325 8.080 1.00 23.43 C ATOM 2463 CD1 LEU B 57 -0.801 -6.667 6.579 1.00 21.11 C ATOM 2464 CD2 LEU B 57 0.649 -6.120 8.597 1.00 73.24 C ATOM 0 H LEU B 57 -2.477 -4.310 6.144 1.00 34.34 H new ATOM 0 HA LEU B 57 -3.576 -6.038 8.223 1.00 21.35 H new ATOM 0 HB2 LEU B 57 -1.170 -4.203 8.016 1.00 15.22 H new ATOM 0 HB3 LEU B 57 -1.642 -4.967 9.521 1.00 15.22 H new ATOM 0 HG LEU B 57 -1.225 -7.188 8.579 1.00 23.43 H new ATOM 0 HD11 LEU B 57 -0.175 -7.541 6.398 1.00 21.11 H new ATOM 0 HD12 LEU B 57 -1.823 -6.882 6.266 1.00 21.11 H new ATOM 0 HD13 LEU B 57 -0.417 -5.821 6.009 1.00 21.11 H new ATOM 0 HD21 LEU B 57 1.255 -6.991 8.345 1.00 73.24 H new ATOM 0 HD22 LEU B 57 1.079 -5.232 8.134 1.00 73.24 H new ATOM 0 HD23 LEU B 57 0.630 -5.992 9.679 1.00 73.24 H new ATOM 2476 N VAL B 58 -5.136 -4.171 9.019 1.00 23.31 N ATOM 2477 CA VAL B 58 -5.990 -3.184 9.698 1.00 44.44 C ATOM 2478 C VAL B 58 -6.711 -3.883 10.851 1.00 53.10 C ATOM 2479 O VAL B 58 -7.001 -5.068 10.755 1.00 61.45 O ATOM 2480 CB VAL B 58 -7.017 -2.546 8.683 1.00 60.31 C ATOM 2481 CG1 VAL B 58 -8.030 -3.589 8.149 1.00 51.14 C ATOM 2482 CG2 VAL B 58 -7.729 -1.314 9.288 1.00 61.24 C ATOM 0 H VAL B 58 -5.608 -5.054 8.825 1.00 23.31 H new ATOM 0 HA VAL B 58 -5.381 -2.370 10.092 1.00 44.44 H new ATOM 0 HB VAL B 58 -6.441 -2.197 7.826 1.00 60.31 H new ATOM 0 HG11 VAL B 58 -8.717 -3.106 7.454 1.00 51.14 H new ATOM 0 HG12 VAL B 58 -7.494 -4.386 7.634 1.00 51.14 H new ATOM 0 HG13 VAL B 58 -8.593 -4.010 8.982 1.00 51.14 H new ATOM 0 HG21 VAL B 58 -8.428 -0.903 8.559 1.00 61.24 H new ATOM 0 HG22 VAL B 58 -8.273 -1.612 10.184 1.00 61.24 H new ATOM 0 HG23 VAL B 58 -6.989 -0.557 9.548 1.00 61.24 H new ATOM 2492 N ASN B 59 -6.968 -3.185 11.954 1.00 72.14 N ATOM 2493 CA ASN B 59 -7.705 -3.779 13.079 1.00 42.35 C ATOM 2494 C ASN B 59 -9.212 -3.828 12.734 1.00 62.12 C ATOM 2495 O ASN B 59 -9.770 -2.848 12.211 1.00 1.34 O ATOM 2496 CB ASN B 59 -7.415 -3.017 14.397 1.00 52.15 C ATOM 2497 CG ASN B 59 -7.904 -1.561 14.437 1.00 14.40 C ATOM 2498 OD1 ASN B 59 -7.958 -0.867 13.423 1.00 73.41 O ATOM 2499 ND2 ASN B 59 -8.249 -1.079 15.620 1.00 34.34 N ATOM 0 H ASN B 59 -6.682 -2.216 12.098 1.00 72.14 H new ATOM 0 HA ASN B 59 -7.366 -4.802 13.242 1.00 42.35 H new ATOM 0 HB2 ASN B 59 -7.878 -3.561 15.221 1.00 52.15 H new ATOM 0 HB3 ASN B 59 -6.339 -3.026 14.573 1.00 52.15 H new ATOM 0 HD21 ASN B 59 -8.568 -0.114 15.704 1.00 34.34 H new ATOM 0 HD22 ASN B 59 -8.196 -1.673 16.448 1.00 34.34 H new ATOM 2506 N ASP B 60 -9.834 -5.001 12.970 1.00 40.41 N ATOM 2507 CA ASP B 60 -11.234 -5.275 12.601 1.00 52.13 C ATOM 2508 C ASP B 60 -12.215 -4.322 13.313 1.00 50.25 C ATOM 2509 O ASP B 60 -11.983 -3.884 14.446 1.00 30.44 O ATOM 2510 CB ASP B 60 -11.607 -6.754 12.898 1.00 32.44 C ATOM 2511 CG ASP B 60 -11.574 -7.107 14.398 1.00 21.13 C ATOM 2512 OD1 ASP B 60 -10.466 -7.263 14.957 1.00 40.23 O ATOM 2513 OD2 ASP B 60 -12.646 -7.214 15.032 1.00 1.05 O ATOM 0 H ASP B 60 -9.374 -5.789 13.425 1.00 40.41 H new ATOM 0 HA ASP B 60 -11.322 -5.100 11.529 1.00 52.13 H new ATOM 0 HB2 ASP B 60 -12.605 -6.954 12.508 1.00 32.44 H new ATOM 0 HB3 ASP B 60 -10.918 -7.408 12.364 1.00 32.44 H new ATOM 2518 N ASP B 61 -13.309 -4.028 12.616 1.00 23.10 N ATOM 2519 CA ASP B 61 -14.353 -3.093 13.052 1.00 73.15 C ATOM 2520 C ASP B 61 -15.707 -3.655 12.571 1.00 70.41 C ATOM 2521 O ASP B 61 -15.746 -4.554 11.712 1.00 54.11 O ATOM 2522 CB ASP B 61 -14.056 -1.690 12.434 1.00 53.34 C ATOM 2523 CG ASP B 61 -14.734 -0.491 13.126 1.00 41.34 C ATOM 2524 OD1 ASP B 61 -15.961 -0.333 13.008 1.00 74.04 O ATOM 2525 OD2 ASP B 61 -14.022 0.336 13.739 1.00 21.43 O ATOM 0 H ASP B 61 -13.503 -4.444 11.705 1.00 23.10 H new ATOM 0 HA ASP B 61 -14.379 -2.982 14.136 1.00 73.15 H new ATOM 0 HB2 ASP B 61 -12.978 -1.530 12.447 1.00 53.34 H new ATOM 0 HB3 ASP B 61 -14.364 -1.703 11.388 1.00 53.34 H new ATOM 2530 N GLN B 62 -16.804 -3.125 13.102 1.00 52.35 N ATOM 2531 CA GLN B 62 -18.162 -3.490 12.655 1.00 21.41 C ATOM 2532 C GLN B 62 -18.453 -2.842 11.284 1.00 32.42 C ATOM 2533 O GLN B 62 -19.155 -3.407 10.444 1.00 2.42 O ATOM 2534 CB GLN B 62 -19.186 -3.055 13.732 1.00 52.33 C ATOM 2535 CG GLN B 62 -18.946 -3.719 15.107 1.00 62.12 C ATOM 2536 CD GLN B 62 -19.821 -3.150 16.225 1.00 14.15 C ATOM 2537 OE1 GLN B 62 -20.914 -3.646 16.490 1.00 54.12 O ATOM 2538 NE2 GLN B 62 -19.352 -2.095 16.878 1.00 71.30 N ATOM 0 H GLN B 62 -16.787 -2.433 13.851 1.00 52.35 H new ATOM 0 HA GLN B 62 -18.242 -4.570 12.529 1.00 21.41 H new ATOM 0 HB2 GLN B 62 -19.144 -1.972 13.847 1.00 52.33 H new ATOM 0 HB3 GLN B 62 -20.191 -3.300 13.388 1.00 52.33 H new ATOM 0 HG2 GLN B 62 -19.132 -4.790 15.021 1.00 62.12 H new ATOM 0 HG3 GLN B 62 -17.898 -3.599 15.381 1.00 62.12 H new ATOM 0 HE21 GLN B 62 -18.441 -1.708 16.633 1.00 71.30 H new ATOM 0 HE22 GLN B 62 -19.903 -1.671 17.625 1.00 71.30 H new ATOM 2547 N ARG B 63 -17.861 -1.660 11.072 1.00 44.41 N ATOM 2548 CA ARG B 63 -17.945 -0.907 9.807 1.00 44.42 C ATOM 2549 C ARG B 63 -16.932 -1.449 8.775 1.00 14.41 C ATOM 2550 O ARG B 63 -17.145 -1.306 7.570 1.00 51.41 O ATOM 2551 CB ARG B 63 -17.708 0.604 10.079 1.00 20.44 C ATOM 2552 CG ARG B 63 -17.983 1.528 8.868 1.00 50.24 C ATOM 2553 CD ARG B 63 -17.878 3.019 9.226 1.00 4.23 C ATOM 2554 NE ARG B 63 -18.856 3.408 10.261 1.00 4.41 N ATOM 2555 CZ ARG B 63 -18.661 4.328 11.220 1.00 43.25 C ATOM 2556 NH1 ARG B 63 -17.517 4.992 11.319 1.00 73.20 N ATOM 2557 NH2 ARG B 63 -19.633 4.581 12.079 1.00 35.31 N ATOM 0 H ARG B 63 -17.301 -1.190 11.783 1.00 44.41 H new ATOM 0 HA ARG B 63 -18.943 -1.035 9.387 1.00 44.42 H new ATOM 0 HB2 ARG B 63 -18.344 0.915 10.908 1.00 20.44 H new ATOM 0 HB3 ARG B 63 -16.676 0.744 10.399 1.00 20.44 H new ATOM 0 HG2 ARG B 63 -17.274 1.298 8.072 1.00 50.24 H new ATOM 0 HG3 ARG B 63 -18.979 1.321 8.477 1.00 50.24 H new ATOM 0 HD2 ARG B 63 -16.870 3.237 9.579 1.00 4.23 H new ATOM 0 HD3 ARG B 63 -18.039 3.619 8.331 1.00 4.23 H new ATOM 0 HE ARG B 63 -19.760 2.936 10.247 1.00 4.41 H new ATOM 0 HH11 ARG B 63 -16.762 4.808 10.658 1.00 73.20 H new ATOM 0 HH12 ARG B 63 -17.392 5.686 12.056 1.00 73.20 H new ATOM 0 HH21 ARG B 63 -20.519 4.080 12.009 1.00 35.31 H new ATOM 0 HH22 ARG B 63 -19.497 5.277 12.812 1.00 35.31 H new ATOM 2571 N LEU B 64 -15.824 -2.051 9.277 1.00 2.45 N ATOM 2572 CA LEU B 64 -14.743 -2.657 8.448 1.00 14.32 C ATOM 2573 C LEU B 64 -15.349 -3.603 7.390 1.00 53.12 C ATOM 2574 O LEU B 64 -15.039 -3.505 6.208 1.00 4.20 O ATOM 2575 CB LEU B 64 -13.767 -3.463 9.372 1.00 44.22 C ATOM 2576 CG LEU B 64 -12.251 -3.556 8.995 1.00 2.15 C ATOM 2577 CD1 LEU B 64 -12.019 -4.218 7.642 1.00 41.25 C ATOM 2578 CD2 LEU B 64 -11.558 -2.183 9.068 1.00 12.45 C ATOM 0 H LEU B 64 -15.651 -2.132 10.279 1.00 2.45 H new ATOM 0 HA LEU B 64 -14.197 -1.862 7.941 1.00 14.32 H new ATOM 0 HB2 LEU B 64 -13.830 -3.030 10.370 1.00 44.22 H new ATOM 0 HB3 LEU B 64 -14.149 -4.481 9.442 1.00 44.22 H new ATOM 0 HG LEU B 64 -11.793 -4.202 9.744 1.00 2.15 H new ATOM 0 HD11 LEU B 64 -10.950 -4.255 7.434 1.00 41.25 H new ATOM 0 HD12 LEU B 64 -12.421 -5.231 7.659 1.00 41.25 H new ATOM 0 HD13 LEU B 64 -12.521 -3.642 6.864 1.00 41.25 H new ATOM 0 HD21 LEU B 64 -10.507 -2.291 8.799 1.00 12.45 H new ATOM 0 HD22 LEU B 64 -12.041 -1.494 8.375 1.00 12.45 H new ATOM 0 HD23 LEU B 64 -11.635 -1.790 10.082 1.00 12.45 H new ATOM 2590 N GLU B 65 -16.246 -4.487 7.870 1.00 45.45 N ATOM 2591 CA GLU B 65 -16.903 -5.530 7.059 1.00 62.22 C ATOM 2592 C GLU B 65 -17.785 -4.917 5.956 1.00 74.52 C ATOM 2593 O GLU B 65 -17.876 -5.461 4.853 1.00 44.21 O ATOM 2594 CB GLU B 65 -17.749 -6.444 7.977 1.00 5.43 C ATOM 2595 CG GLU B 65 -16.987 -7.010 9.191 1.00 30.41 C ATOM 2596 CD GLU B 65 -17.877 -7.876 10.087 1.00 12.24 C ATOM 2597 OE1 GLU B 65 -18.724 -7.305 10.803 1.00 5.42 O ATOM 2598 OE2 GLU B 65 -17.762 -9.123 10.058 1.00 22.14 O ATOM 0 H GLU B 65 -16.539 -4.496 8.847 1.00 45.45 H new ATOM 0 HA GLU B 65 -16.129 -6.120 6.569 1.00 62.22 H new ATOM 0 HB2 GLU B 65 -18.611 -5.881 8.335 1.00 5.43 H new ATOM 0 HB3 GLU B 65 -18.134 -7.275 7.386 1.00 5.43 H new ATOM 0 HG2 GLU B 65 -16.142 -7.603 8.842 1.00 30.41 H new ATOM 0 HG3 GLU B 65 -16.579 -6.186 9.776 1.00 30.41 H new ATOM 2605 N GLN B 66 -18.420 -3.773 6.276 1.00 51.25 N ATOM 2606 CA GLN B 66 -19.252 -3.012 5.326 1.00 40.22 C ATOM 2607 C GLN B 66 -18.369 -2.396 4.223 1.00 1.34 C ATOM 2608 O GLN B 66 -18.743 -2.396 3.049 1.00 75.44 O ATOM 2609 CB GLN B 66 -20.039 -1.904 6.072 1.00 44.30 C ATOM 2610 CG GLN B 66 -21.053 -1.135 5.194 1.00 74.00 C ATOM 2611 CD GLN B 66 -21.755 0.009 5.927 1.00 22.33 C ATOM 2612 OE1 GLN B 66 -21.929 -0.028 7.145 1.00 64.54 O ATOM 2613 NE2 GLN B 66 -22.191 1.020 5.189 1.00 70.52 N ATOM 0 H GLN B 66 -18.370 -3.350 7.203 1.00 51.25 H new ATOM 0 HA GLN B 66 -19.967 -3.691 4.861 1.00 40.22 H new ATOM 0 HB2 GLN B 66 -20.572 -2.355 6.909 1.00 44.30 H new ATOM 0 HB3 GLN B 66 -19.329 -1.192 6.493 1.00 44.30 H new ATOM 0 HG2 GLN B 66 -20.535 -0.733 4.323 1.00 74.00 H new ATOM 0 HG3 GLN B 66 -21.804 -1.833 4.825 1.00 74.00 H new ATOM 0 HE21 GLN B 66 -22.031 1.022 4.182 1.00 70.52 H new ATOM 0 HE22 GLN B 66 -22.686 1.796 5.629 1.00 70.52 H new ATOM 2622 N MET B 67 -17.182 -1.901 4.631 1.00 71.23 N ATOM 2623 CA MET B 67 -16.187 -1.313 3.711 1.00 62.14 C ATOM 2624 C MET B 67 -15.630 -2.386 2.748 1.00 63.25 C ATOM 2625 O MET B 67 -15.398 -2.100 1.570 1.00 44.31 O ATOM 2626 CB MET B 67 -15.038 -0.640 4.511 1.00 71.12 C ATOM 2627 CG MET B 67 -15.482 0.557 5.367 1.00 1.04 C ATOM 2628 SD MET B 67 -16.173 1.894 4.368 1.00 64.53 S ATOM 2629 CE MET B 67 -16.720 3.058 5.612 1.00 54.03 C ATOM 0 H MET B 67 -16.887 -1.898 5.607 1.00 71.23 H new ATOM 0 HA MET B 67 -16.682 -0.548 3.113 1.00 62.14 H new ATOM 0 HB2 MET B 67 -14.577 -1.385 5.160 1.00 71.12 H new ATOM 0 HB3 MET B 67 -14.270 -0.308 3.812 1.00 71.12 H new ATOM 0 HG2 MET B 67 -16.226 0.226 6.092 1.00 1.04 H new ATOM 0 HG3 MET B 67 -14.629 0.932 5.933 1.00 1.04 H new ATOM 0 HE1 MET B 67 -17.363 3.808 5.151 1.00 54.03 H new ATOM 0 HE2 MET B 67 -17.276 2.529 6.386 1.00 54.03 H new ATOM 0 HE3 MET B 67 -15.854 3.548 6.058 1.00 54.03 H new ATOM 2639 N ILE B 68 -15.452 -3.621 3.276 1.00 62.15 N ATOM 2640 CA ILE B 68 -15.016 -4.804 2.501 1.00 31.43 C ATOM 2641 C ILE B 68 -16.042 -5.132 1.403 1.00 34.53 C ATOM 2642 O ILE B 68 -15.694 -5.212 0.223 1.00 62.42 O ATOM 2643 CB ILE B 68 -14.824 -6.066 3.442 1.00 0.00 C ATOM 2644 CG1 ILE B 68 -13.670 -5.838 4.468 1.00 3.44 C ATOM 2645 CG2 ILE B 68 -14.581 -7.369 2.633 1.00 34.41 C ATOM 2646 CD1 ILE B 68 -13.517 -6.942 5.507 1.00 43.43 C ATOM 0 H ILE B 68 -15.609 -3.824 4.263 1.00 62.15 H new ATOM 0 HA ILE B 68 -14.057 -4.565 2.041 1.00 31.43 H new ATOM 0 HB ILE B 68 -15.757 -6.190 3.992 1.00 0.00 H new ATOM 0 HG12 ILE B 68 -12.731 -5.738 3.923 1.00 3.44 H new ATOM 0 HG13 ILE B 68 -13.842 -4.893 4.984 1.00 3.44 H new ATOM 0 HG21 ILE B 68 -14.455 -8.206 3.320 1.00 34.41 H new ATOM 0 HG22 ILE B 68 -15.435 -7.558 1.983 1.00 34.41 H new ATOM 0 HG23 ILE B 68 -13.682 -7.259 2.027 1.00 34.41 H new ATOM 0 HD11 ILE B 68 -12.692 -6.699 6.177 1.00 43.43 H new ATOM 0 HD12 ILE B 68 -14.438 -7.030 6.083 1.00 43.43 H new ATOM 0 HD13 ILE B 68 -13.311 -7.888 5.005 1.00 43.43 H new ATOM 2658 N SER B 69 -17.311 -5.291 1.818 1.00 44.32 N ATOM 2659 CA SER B 69 -18.414 -5.685 0.929 1.00 12.14 C ATOM 2660 C SER B 69 -18.705 -4.607 -0.132 1.00 64.34 C ATOM 2661 O SER B 69 -19.096 -4.934 -1.255 1.00 63.04 O ATOM 2662 CB SER B 69 -19.669 -5.969 1.773 1.00 73.43 C ATOM 2663 OG SER B 69 -19.405 -6.950 2.769 1.00 22.14 O ATOM 0 H SER B 69 -17.600 -5.148 2.786 1.00 44.32 H new ATOM 0 HA SER B 69 -18.121 -6.588 0.394 1.00 12.14 H new ATOM 0 HB2 SER B 69 -20.009 -5.048 2.246 1.00 73.43 H new ATOM 0 HB3 SER B 69 -20.476 -6.311 1.126 1.00 73.43 H new ATOM 0 HG SER B 69 -18.911 -6.540 3.509 1.00 22.14 H new ATOM 2669 N GLN B 70 -18.489 -3.325 0.238 1.00 42.42 N ATOM 2670 CA GLN B 70 -18.726 -2.182 -0.653 1.00 12.02 C ATOM 2671 C GLN B 70 -17.688 -2.192 -1.780 1.00 0.15 C ATOM 2672 O GLN B 70 -18.049 -2.202 -2.959 1.00 31.44 O ATOM 2673 CB GLN B 70 -18.675 -0.847 0.159 1.00 72.13 C ATOM 2674 CG GLN B 70 -19.206 0.422 -0.574 1.00 24.23 C ATOM 2675 CD GLN B 70 -18.292 1.009 -1.668 1.00 54.42 C ATOM 2676 OE1 GLN B 70 -18.771 1.559 -2.662 1.00 34.20 O ATOM 2677 NE2 GLN B 70 -16.979 0.945 -1.485 1.00 74.20 N ATOM 0 H GLN B 70 -18.146 -3.061 1.162 1.00 42.42 H new ATOM 0 HA GLN B 70 -19.718 -2.261 -1.098 1.00 12.02 H new ATOM 0 HB2 GLN B 70 -19.251 -0.980 1.075 1.00 72.13 H new ATOM 0 HB3 GLN B 70 -17.642 -0.665 0.455 1.00 72.13 H new ATOM 0 HG2 GLN B 70 -20.168 0.179 -1.025 1.00 24.23 H new ATOM 0 HG3 GLN B 70 -19.389 1.196 0.171 1.00 24.23 H new ATOM 0 HE21 GLN B 70 -16.601 0.486 -0.656 1.00 74.20 H new ATOM 0 HE22 GLN B 70 -16.348 1.355 -2.173 1.00 74.20 H new ATOM 2686 N ILE B 71 -16.394 -2.206 -1.393 1.00 63.53 N ATOM 2687 CA ILE B 71 -15.275 -2.119 -2.352 1.00 62.21 C ATOM 2688 C ILE B 71 -15.192 -3.373 -3.243 1.00 43.11 C ATOM 2689 O ILE B 71 -14.726 -3.308 -4.387 1.00 30.21 O ATOM 2690 CB ILE B 71 -13.893 -1.857 -1.647 1.00 3.33 C ATOM 2691 CG1 ILE B 71 -12.822 -1.435 -2.709 1.00 74.42 C ATOM 2692 CG2 ILE B 71 -13.420 -3.074 -0.810 1.00 2.13 C ATOM 2693 CD1 ILE B 71 -11.424 -1.265 -2.174 1.00 22.25 C ATOM 0 H ILE B 71 -16.100 -2.277 -0.419 1.00 63.53 H new ATOM 0 HA ILE B 71 -15.487 -1.258 -2.985 1.00 62.21 H new ATOM 0 HB ILE B 71 -14.026 -1.037 -0.941 1.00 3.33 H new ATOM 0 HG12 ILE B 71 -12.803 -2.184 -3.500 1.00 74.42 H new ATOM 0 HG13 ILE B 71 -13.136 -0.497 -3.166 1.00 74.42 H new ATOM 0 HG21 ILE B 71 -12.462 -2.844 -0.343 1.00 2.13 H new ATOM 0 HG22 ILE B 71 -14.157 -3.293 -0.037 1.00 2.13 H new ATOM 0 HG23 ILE B 71 -13.308 -3.941 -1.460 1.00 2.13 H new ATOM 0 HD11 ILE B 71 -10.757 -0.973 -2.985 1.00 22.25 H new ATOM 0 HD12 ILE B 71 -11.420 -0.493 -1.405 1.00 22.25 H new ATOM 0 HD13 ILE B 71 -11.082 -2.207 -1.745 1.00 22.25 H new ATOM 2705 N ASP B 72 -15.662 -4.507 -2.695 1.00 52.02 N ATOM 2706 CA ASP B 72 -15.717 -5.787 -3.400 1.00 32.33 C ATOM 2707 C ASP B 72 -16.563 -5.686 -4.690 1.00 3.41 C ATOM 2708 O ASP B 72 -16.242 -6.314 -5.702 1.00 20.54 O ATOM 2709 CB ASP B 72 -16.264 -6.871 -2.441 1.00 42.33 C ATOM 2710 CG ASP B 72 -16.449 -8.246 -3.095 1.00 4.30 C ATOM 2711 OD1 ASP B 72 -15.458 -8.833 -3.563 1.00 3.34 O ATOM 2712 OD2 ASP B 72 -17.596 -8.750 -3.150 1.00 4.03 O ATOM 0 H ASP B 72 -16.017 -4.555 -1.740 1.00 52.02 H new ATOM 0 HA ASP B 72 -14.711 -6.067 -3.712 1.00 32.33 H new ATOM 0 HB2 ASP B 72 -15.583 -6.971 -1.596 1.00 42.33 H new ATOM 0 HB3 ASP B 72 -17.222 -6.538 -2.041 1.00 42.33 H new ATOM 2717 N LYS B 73 -17.619 -4.844 -4.638 1.00 34.33 N ATOM 2718 CA LYS B 73 -18.538 -4.608 -5.773 1.00 41.42 C ATOM 2719 C LYS B 73 -17.851 -3.857 -6.936 1.00 4.35 C ATOM 2720 O LYS B 73 -18.304 -3.931 -8.081 1.00 34.22 O ATOM 2721 CB LYS B 73 -19.764 -3.794 -5.297 1.00 34.31 C ATOM 2722 CG LYS B 73 -20.560 -4.448 -4.147 1.00 54.45 C ATOM 2723 CD LYS B 73 -21.751 -3.572 -3.679 1.00 61.13 C ATOM 2724 CE LYS B 73 -22.777 -3.336 -4.803 1.00 11.43 C ATOM 2725 NZ LYS B 73 -23.949 -2.550 -4.341 1.00 10.43 N ATOM 0 H LYS B 73 -17.858 -4.307 -3.804 1.00 34.33 H new ATOM 0 HA LYS B 73 -18.851 -5.585 -6.142 1.00 41.42 H new ATOM 0 HB2 LYS B 73 -19.427 -2.809 -4.974 1.00 34.31 H new ATOM 0 HB3 LYS B 73 -20.433 -3.640 -6.144 1.00 34.31 H new ATOM 0 HG2 LYS B 73 -20.933 -5.419 -4.473 1.00 54.45 H new ATOM 0 HG3 LYS B 73 -19.893 -4.629 -3.304 1.00 54.45 H new ATOM 0 HD2 LYS B 73 -22.244 -4.054 -2.835 1.00 61.13 H new ATOM 0 HD3 LYS B 73 -21.376 -2.612 -3.324 1.00 61.13 H new ATOM 0 HE2 LYS B 73 -22.294 -2.813 -5.628 1.00 11.43 H new ATOM 0 HE3 LYS B 73 -23.116 -4.297 -5.190 1.00 11.43 H new ATOM 0 HZ1 LYS B 73 -24.611 -2.417 -5.132 1.00 10.43 H new ATOM 0 HZ2 LYS B 73 -24.427 -3.060 -3.571 1.00 10.43 H new ATOM 0 HZ3 LYS B 73 -23.631 -1.622 -3.996 1.00 10.43 H new ATOM 2739 N LEU B 74 -16.765 -3.129 -6.625 1.00 63.42 N ATOM 2740 CA LEU B 74 -16.018 -2.325 -7.612 1.00 22.43 C ATOM 2741 C LEU B 74 -15.130 -3.227 -8.481 1.00 13.20 C ATOM 2742 O LEU B 74 -14.653 -4.276 -8.029 1.00 4.50 O ATOM 2743 CB LEU B 74 -15.156 -1.226 -6.907 1.00 64.14 C ATOM 2744 CG LEU B 74 -15.919 0.039 -6.381 1.00 65.45 C ATOM 2745 CD1 LEU B 74 -16.651 0.765 -7.531 1.00 33.21 C ATOM 2746 CD2 LEU B 74 -16.888 -0.310 -5.233 1.00 40.02 C ATOM 0 H LEU B 74 -16.379 -3.080 -5.682 1.00 63.42 H new ATOM 0 HA LEU B 74 -16.742 -1.825 -8.255 1.00 22.43 H new ATOM 0 HB2 LEU B 74 -14.640 -1.687 -6.065 1.00 64.14 H new ATOM 0 HB3 LEU B 74 -14.389 -0.894 -7.607 1.00 64.14 H new ATOM 0 HG LEU B 74 -15.173 0.721 -5.974 1.00 65.45 H new ATOM 0 HD11 LEU B 74 -17.171 1.638 -7.137 1.00 33.21 H new ATOM 0 HD12 LEU B 74 -15.926 1.082 -8.281 1.00 33.21 H new ATOM 0 HD13 LEU B 74 -17.373 0.088 -7.988 1.00 33.21 H new ATOM 0 HD21 LEU B 74 -17.396 0.594 -4.898 1.00 40.02 H new ATOM 0 HD22 LEU B 74 -17.625 -1.031 -5.586 1.00 40.02 H new ATOM 0 HD23 LEU B 74 -16.328 -0.740 -4.403 1.00 40.02 H new ATOM 2758 N GLU B 75 -14.892 -2.766 -9.721 1.00 12.22 N ATOM 2759 CA GLU B 75 -14.083 -3.478 -10.732 1.00 71.11 C ATOM 2760 C GLU B 75 -12.591 -3.548 -10.334 1.00 52.02 C ATOM 2761 O GLU B 75 -11.813 -4.296 -10.944 1.00 34.43 O ATOM 2762 CB GLU B 75 -14.246 -2.775 -12.098 1.00 74.13 C ATOM 2763 CG GLU B 75 -15.692 -2.763 -12.632 1.00 60.33 C ATOM 2764 CD GLU B 75 -15.842 -1.969 -13.939 1.00 65.10 C ATOM 2765 OE1 GLU B 75 -15.410 -2.468 -15.001 1.00 34.53 O ATOM 2766 OE2 GLU B 75 -16.372 -0.834 -13.910 1.00 24.52 O ATOM 0 H GLU B 75 -15.260 -1.876 -10.056 1.00 12.22 H new ATOM 0 HA GLU B 75 -14.443 -4.505 -10.798 1.00 71.11 H new ATOM 0 HB2 GLU B 75 -13.894 -1.747 -12.010 1.00 74.13 H new ATOM 0 HB3 GLU B 75 -13.605 -3.270 -12.828 1.00 74.13 H new ATOM 0 HG2 GLU B 75 -16.021 -3.789 -12.797 1.00 60.33 H new ATOM 0 HG3 GLU B 75 -16.349 -2.335 -11.875 1.00 60.33 H new ATOM 2773 N ASP B 76 -12.220 -2.739 -9.324 1.00 31.11 N ATOM 2774 CA ASP B 76 -10.894 -2.753 -8.701 1.00 23.25 C ATOM 2775 C ASP B 76 -10.629 -4.124 -8.057 1.00 34.43 C ATOM 2776 O ASP B 76 -9.676 -4.816 -8.418 1.00 14.35 O ATOM 2777 CB ASP B 76 -10.818 -1.635 -7.617 1.00 2.30 C ATOM 2778 CG ASP B 76 -11.151 -0.232 -8.160 1.00 41.11 C ATOM 2779 OD1 ASP B 76 -12.354 0.080 -8.325 1.00 23.13 O ATOM 2780 OD2 ASP B 76 -10.225 0.570 -8.410 1.00 43.14 O ATOM 0 H ASP B 76 -12.848 -2.047 -8.915 1.00 31.11 H new ATOM 0 HA ASP B 76 -10.137 -2.570 -9.464 1.00 23.25 H new ATOM 0 HB2 ASP B 76 -11.507 -1.876 -6.808 1.00 2.30 H new ATOM 0 HB3 ASP B 76 -9.816 -1.622 -7.189 1.00 2.30 H new ATOM 2785 N VAL B 77 -11.546 -4.532 -7.160 1.00 4.24 N ATOM 2786 CA VAL B 77 -11.444 -5.794 -6.419 1.00 25.41 C ATOM 2787 C VAL B 77 -12.003 -6.951 -7.270 1.00 23.44 C ATOM 2788 O VAL B 77 -13.215 -7.057 -7.487 1.00 32.14 O ATOM 2789 CB VAL B 77 -12.181 -5.696 -5.026 1.00 32.22 C ATOM 2790 CG1 VAL B 77 -12.307 -7.073 -4.328 1.00 64.31 C ATOM 2791 CG2 VAL B 77 -11.452 -4.701 -4.096 1.00 63.25 C ATOM 0 H VAL B 77 -12.380 -3.991 -6.931 1.00 4.24 H new ATOM 0 HA VAL B 77 -10.392 -5.995 -6.214 1.00 25.41 H new ATOM 0 HB VAL B 77 -13.190 -5.335 -5.227 1.00 32.22 H new ATOM 0 HG11 VAL B 77 -12.821 -6.952 -3.374 1.00 64.31 H new ATOM 0 HG12 VAL B 77 -12.876 -7.752 -4.963 1.00 64.31 H new ATOM 0 HG13 VAL B 77 -11.313 -7.485 -4.155 1.00 64.31 H new ATOM 0 HG21 VAL B 77 -11.974 -4.646 -3.141 1.00 63.25 H new ATOM 0 HG22 VAL B 77 -10.429 -5.039 -3.932 1.00 63.25 H new ATOM 0 HG23 VAL B 77 -11.438 -3.714 -4.559 1.00 63.25 H new ATOM 2801 N VAL B 78 -11.079 -7.770 -7.794 1.00 12.13 N ATOM 2802 CA VAL B 78 -11.395 -8.998 -8.555 1.00 5.01 C ATOM 2803 C VAL B 78 -11.843 -10.107 -7.579 1.00 70.01 C ATOM 2804 O VAL B 78 -12.820 -10.818 -7.822 1.00 4.12 O ATOM 2805 CB VAL B 78 -10.141 -9.488 -9.389 1.00 0.51 C ATOM 2806 CG1 VAL B 78 -10.503 -10.624 -10.377 1.00 74.32 C ATOM 2807 CG2 VAL B 78 -9.472 -8.309 -10.129 1.00 22.13 C ATOM 0 H VAL B 78 -10.077 -7.600 -7.703 1.00 12.13 H new ATOM 0 HA VAL B 78 -12.201 -8.776 -9.254 1.00 5.01 H new ATOM 0 HB VAL B 78 -9.426 -9.898 -8.676 1.00 0.51 H new ATOM 0 HG11 VAL B 78 -9.611 -10.927 -10.926 1.00 74.32 H new ATOM 0 HG12 VAL B 78 -10.895 -11.477 -9.823 1.00 74.32 H new ATOM 0 HG13 VAL B 78 -11.258 -10.269 -11.079 1.00 74.32 H new ATOM 0 HG21 VAL B 78 -8.614 -8.674 -10.694 1.00 22.13 H new ATOM 0 HG22 VAL B 78 -10.189 -7.854 -10.812 1.00 22.13 H new ATOM 0 HG23 VAL B 78 -9.140 -7.566 -9.404 1.00 22.13 H new ATOM 2817 N LYS B 79 -11.095 -10.230 -6.466 1.00 74.54 N ATOM 2818 CA LYS B 79 -11.360 -11.199 -5.379 1.00 54.42 C ATOM 2819 C LYS B 79 -11.115 -10.520 -4.029 1.00 63.34 C ATOM 2820 O LYS B 79 -10.307 -9.595 -3.950 1.00 21.42 O ATOM 2821 CB LYS B 79 -10.431 -12.443 -5.482 1.00 31.35 C ATOM 2822 CG LYS B 79 -10.603 -13.294 -6.751 1.00 53.34 C ATOM 2823 CD LYS B 79 -9.592 -14.460 -6.820 1.00 42.40 C ATOM 2824 CE LYS B 79 -9.858 -15.401 -8.004 1.00 71.11 C ATOM 2825 NZ LYS B 79 -11.191 -16.058 -7.915 1.00 35.42 N ATOM 0 H LYS B 79 -10.275 -9.650 -6.291 1.00 74.54 H new ATOM 0 HA LYS B 79 -12.395 -11.529 -5.469 1.00 54.42 H new ATOM 0 HB2 LYS B 79 -9.395 -12.107 -5.429 1.00 31.35 H new ATOM 0 HB3 LYS B 79 -10.605 -13.078 -4.613 1.00 31.35 H new ATOM 0 HG2 LYS B 79 -11.617 -13.693 -6.783 1.00 53.34 H new ATOM 0 HG3 LYS B 79 -10.483 -12.660 -7.629 1.00 53.34 H new ATOM 0 HD2 LYS B 79 -8.583 -14.057 -6.900 1.00 42.40 H new ATOM 0 HD3 LYS B 79 -9.635 -15.029 -5.891 1.00 42.40 H new ATOM 0 HE2 LYS B 79 -9.795 -14.837 -8.935 1.00 71.11 H new ATOM 0 HE3 LYS B 79 -9.081 -16.164 -8.040 1.00 71.11 H new ATOM 0 HZ1 LYS B 79 -11.246 -16.827 -8.613 1.00 35.42 H new ATOM 0 HZ2 LYS B 79 -11.323 -16.447 -6.960 1.00 35.42 H new ATOM 0 HZ3 LYS B 79 -11.936 -15.359 -8.110 1.00 35.42 H new ATOM 2839 N VAL B 80 -11.804 -10.986 -2.976 1.00 5.34 N ATOM 2840 CA VAL B 80 -11.548 -10.542 -1.585 1.00 31.11 C ATOM 2841 C VAL B 80 -11.510 -11.772 -0.650 1.00 10.03 C ATOM 2842 O VAL B 80 -12.213 -12.765 -0.888 1.00 14.23 O ATOM 2843 CB VAL B 80 -12.619 -9.486 -1.091 1.00 14.12 C ATOM 2844 CG1 VAL B 80 -14.013 -10.121 -0.868 1.00 63.53 C ATOM 2845 CG2 VAL B 80 -12.127 -8.722 0.166 1.00 30.51 C ATOM 0 H VAL B 80 -12.550 -11.676 -3.057 1.00 5.34 H new ATOM 0 HA VAL B 80 -10.581 -10.040 -1.560 1.00 31.11 H new ATOM 0 HB VAL B 80 -12.735 -8.757 -1.893 1.00 14.12 H new ATOM 0 HG11 VAL B 80 -14.712 -9.356 -0.530 1.00 63.53 H new ATOM 0 HG12 VAL B 80 -14.371 -10.551 -1.804 1.00 63.53 H new ATOM 0 HG13 VAL B 80 -13.940 -10.904 -0.113 1.00 63.53 H new ATOM 0 HG21 VAL B 80 -12.887 -8.006 0.477 1.00 30.51 H new ATOM 0 HG22 VAL B 80 -11.944 -9.430 0.974 1.00 30.51 H new ATOM 0 HG23 VAL B 80 -11.204 -8.192 -0.068 1.00 30.51 H new ATOM 2855 N GLN B 81 -10.676 -11.707 0.396 1.00 2.24 N ATOM 2856 CA GLN B 81 -10.523 -12.782 1.390 1.00 50.33 C ATOM 2857 C GLN B 81 -10.146 -12.161 2.746 1.00 1.03 C ATOM 2858 O GLN B 81 -9.379 -11.195 2.799 1.00 64.11 O ATOM 2859 CB GLN B 81 -9.439 -13.804 0.921 1.00 22.10 C ATOM 2860 CG GLN B 81 -9.228 -15.019 1.855 1.00 32.11 C ATOM 2861 CD GLN B 81 -10.487 -15.878 2.029 1.00 4.02 C ATOM 2862 OE1 GLN B 81 -11.295 -15.659 2.937 1.00 43.23 O ATOM 2863 NE2 GLN B 81 -10.667 -16.854 1.157 1.00 2.02 N ATOM 0 H GLN B 81 -10.081 -10.899 0.579 1.00 2.24 H new ATOM 0 HA GLN B 81 -11.464 -13.322 1.496 1.00 50.33 H new ATOM 0 HB2 GLN B 81 -9.713 -14.170 -0.068 1.00 22.10 H new ATOM 0 HB3 GLN B 81 -8.490 -13.279 0.815 1.00 22.10 H new ATOM 0 HG2 GLN B 81 -8.426 -15.640 1.456 1.00 32.11 H new ATOM 0 HG3 GLN B 81 -8.901 -14.664 2.832 1.00 32.11 H new ATOM 0 HE21 GLN B 81 -9.982 -17.010 0.418 1.00 2.02 H new ATOM 0 HE22 GLN B 81 -11.491 -17.451 1.223 1.00 2.02 H new ATOM 2872 N ARG B 82 -10.705 -12.710 3.833 1.00 71.43 N ATOM 2873 CA ARG B 82 -10.466 -12.234 5.206 1.00 61.24 C ATOM 2874 C ARG B 82 -9.616 -13.274 5.960 1.00 64.10 C ATOM 2875 O ARG B 82 -10.121 -14.320 6.375 1.00 73.14 O ATOM 2876 CB ARG B 82 -11.824 -11.983 5.917 1.00 74.24 C ATOM 2877 CG ARG B 82 -12.696 -10.893 5.244 1.00 73.25 C ATOM 2878 CD ARG B 82 -14.087 -10.752 5.885 1.00 54.24 C ATOM 2879 NE ARG B 82 -14.030 -10.426 7.322 1.00 41.31 N ATOM 2880 CZ ARG B 82 -15.087 -10.104 8.086 1.00 25.54 C ATOM 2881 NH1 ARG B 82 -16.323 -10.054 7.574 1.00 33.10 N ATOM 2882 NH2 ARG B 82 -14.908 -9.850 9.374 1.00 2.12 N ATOM 0 H ARG B 82 -11.342 -13.505 3.785 1.00 71.43 H new ATOM 0 HA ARG B 82 -9.920 -11.291 5.189 1.00 61.24 H new ATOM 0 HB2 ARG B 82 -12.386 -12.917 5.945 1.00 74.24 H new ATOM 0 HB3 ARG B 82 -11.633 -11.694 6.951 1.00 74.24 H new ATOM 0 HG2 ARG B 82 -12.178 -9.936 5.300 1.00 73.25 H new ATOM 0 HG3 ARG B 82 -12.812 -11.131 4.187 1.00 73.25 H new ATOM 0 HD2 ARG B 82 -14.644 -9.973 5.363 1.00 54.24 H new ATOM 0 HD3 ARG B 82 -14.639 -11.683 5.751 1.00 54.24 H new ATOM 0 HE ARG B 82 -13.115 -10.447 7.772 1.00 41.31 H new ATOM 0 HH11 ARG B 82 -16.475 -10.263 6.587 1.00 33.10 H new ATOM 0 HH12 ARG B 82 -17.113 -9.807 8.171 1.00 33.10 H new ATOM 0 HH21 ARG B 82 -13.973 -9.900 9.778 1.00 2.12 H new ATOM 0 HH22 ARG B 82 -15.705 -9.605 9.961 1.00 2.12 H new ATOM 2896 N ASN B 83 -8.315 -12.989 6.086 1.00 63.13 N ATOM 2897 CA ASN B 83 -7.328 -13.869 6.752 1.00 43.34 C ATOM 2898 C ASN B 83 -6.925 -13.285 8.115 1.00 71.23 C ATOM 2899 O ASN B 83 -7.037 -12.077 8.340 1.00 45.03 O ATOM 2900 CB ASN B 83 -6.061 -14.059 5.863 1.00 50.15 C ATOM 2901 CG ASN B 83 -6.333 -14.782 4.541 1.00 3.31 C ATOM 2902 OD1 ASN B 83 -7.241 -15.606 4.435 1.00 50.52 O ATOM 2903 ND2 ASN B 83 -5.535 -14.492 3.527 1.00 63.22 N ATOM 0 H ASN B 83 -7.904 -12.128 5.725 1.00 63.13 H new ATOM 0 HA ASN B 83 -7.794 -14.843 6.904 1.00 43.34 H new ATOM 0 HB2 ASN B 83 -5.630 -13.081 5.649 1.00 50.15 H new ATOM 0 HB3 ASN B 83 -5.315 -14.620 6.426 1.00 50.15 H new ATOM 0 HD21 ASN B 83 -5.664 -14.956 2.628 1.00 63.22 H new ATOM 0 HD22 ASN B 83 -4.791 -13.805 3.644 1.00 63.22 H new ATOM 2910 N GLN B 84 -6.498 -14.166 9.030 1.00 54.41 N ATOM 2911 CA GLN B 84 -5.935 -13.783 10.342 1.00 21.11 C ATOM 2912 C GLN B 84 -4.416 -13.570 10.209 1.00 33.24 C ATOM 2913 O GLN B 84 -3.783 -14.151 9.317 1.00 3.13 O ATOM 2914 CB GLN B 84 -6.253 -14.869 11.398 1.00 15.52 C ATOM 2915 CG GLN B 84 -7.763 -15.103 11.607 1.00 4.41 C ATOM 2916 CD GLN B 84 -8.074 -16.135 12.693 1.00 70.33 C ATOM 2917 OE1 GLN B 84 -7.320 -16.296 13.650 1.00 23.02 O ATOM 2918 NE2 GLN B 84 -9.181 -16.847 12.554 1.00 11.03 N ATOM 0 H GLN B 84 -6.532 -15.175 8.884 1.00 54.41 H new ATOM 0 HA GLN B 84 -6.389 -12.849 10.673 1.00 21.11 H new ATOM 0 HB2 GLN B 84 -5.787 -15.807 11.095 1.00 15.52 H new ATOM 0 HB3 GLN B 84 -5.803 -14.582 12.349 1.00 15.52 H new ATOM 0 HG2 GLN B 84 -8.237 -14.157 11.869 1.00 4.41 H new ATOM 0 HG3 GLN B 84 -8.206 -15.432 10.667 1.00 4.41 H new ATOM 0 HE21 GLN B 84 -9.789 -16.693 11.750 1.00 11.03 H new ATOM 0 HE22 GLN B 84 -9.426 -17.550 13.251 1.00 11.03 H new ATOM 2927 N SER B 85 -3.846 -12.713 11.076 1.00 12.41 N ATOM 2928 CA SER B 85 -2.437 -12.280 10.978 1.00 4.01 C ATOM 2929 C SER B 85 -1.440 -13.343 11.454 1.00 50.52 C ATOM 2930 O SER B 85 -1.774 -14.217 12.262 1.00 4.43 O ATOM 2931 CB SER B 85 -2.246 -10.945 11.722 1.00 71.33 C ATOM 2932 OG SER B 85 -0.903 -10.481 11.666 1.00 3.53 O ATOM 0 H SER B 85 -4.347 -12.301 11.863 1.00 12.41 H new ATOM 0 HA SER B 85 -2.216 -12.133 9.921 1.00 4.01 H new ATOM 0 HB2 SER B 85 -2.906 -10.193 11.289 1.00 71.33 H new ATOM 0 HB3 SER B 85 -2.542 -11.067 12.764 1.00 71.33 H new ATOM 0 HG SER B 85 -0.746 -9.845 12.395 1.00 3.53 H new ATOM 2938 N ASP B 86 -0.210 -13.237 10.911 1.00 32.04 N ATOM 2939 CA ASP B 86 0.884 -14.191 11.120 1.00 73.13 C ATOM 2940 C ASP B 86 2.239 -13.434 11.039 1.00 43.32 C ATOM 2941 O ASP B 86 2.450 -12.676 10.083 1.00 10.22 O ATOM 2942 CB ASP B 86 0.795 -15.315 10.051 1.00 30.24 C ATOM 2943 CG ASP B 86 1.936 -16.343 10.130 1.00 21.53 C ATOM 2944 OD1 ASP B 86 1.924 -17.192 11.047 1.00 20.42 O ATOM 2945 OD2 ASP B 86 2.842 -16.309 9.272 1.00 2.15 O ATOM 0 H ASP B 86 0.051 -12.463 10.300 1.00 32.04 H new ATOM 0 HA ASP B 86 0.808 -14.653 12.104 1.00 73.13 H new ATOM 0 HB2 ASP B 86 -0.157 -15.834 10.163 1.00 30.24 H new ATOM 0 HB3 ASP B 86 0.796 -14.861 9.060 1.00 30.24 H new ATOM 2950 N PRO B 87 3.162 -13.601 12.046 1.00 50.52 N ATOM 2951 CA PRO B 87 4.473 -12.882 12.086 1.00 51.20 C ATOM 2952 C PRO B 87 5.371 -13.134 10.851 1.00 34.44 C ATOM 2953 O PRO B 87 6.015 -12.214 10.341 1.00 31.11 O ATOM 2954 CB PRO B 87 5.145 -13.428 13.377 1.00 63.20 C ATOM 2955 CG PRO B 87 4.005 -13.916 14.222 1.00 11.52 C ATOM 2956 CD PRO B 87 2.988 -14.464 13.248 1.00 13.32 C ATOM 0 HA PRO B 87 4.325 -11.802 12.080 1.00 51.20 H new ATOM 0 HB2 PRO B 87 5.843 -14.234 13.150 1.00 63.20 H new ATOM 0 HB3 PRO B 87 5.712 -12.650 13.888 1.00 63.20 H new ATOM 0 HG2 PRO B 87 4.335 -14.686 14.920 1.00 11.52 H new ATOM 0 HG3 PRO B 87 3.582 -13.106 14.817 1.00 11.52 H new ATOM 0 HD2 PRO B 87 3.175 -15.513 13.020 1.00 13.32 H new ATOM 0 HD3 PRO B 87 1.975 -14.400 13.646 1.00 13.32 H new ATOM 2964 N THR B 88 5.397 -14.394 10.378 1.00 61.33 N ATOM 2965 CA THR B 88 6.286 -14.820 9.277 1.00 3.14 C ATOM 2966 C THR B 88 5.617 -14.668 7.896 1.00 51.41 C ATOM 2967 O THR B 88 6.261 -14.951 6.880 1.00 72.25 O ATOM 2968 CB THR B 88 6.762 -16.302 9.485 1.00 33.11 C ATOM 2969 OG1 THR B 88 5.637 -17.186 9.594 1.00 14.21 O ATOM 2970 CG2 THR B 88 7.643 -16.451 10.738 1.00 23.03 C ATOM 0 H THR B 88 4.808 -15.142 10.744 1.00 61.33 H new ATOM 0 HA THR B 88 7.153 -14.160 9.298 1.00 3.14 H new ATOM 0 HB THR B 88 7.356 -16.568 8.611 1.00 33.11 H new ATOM 0 HG1 THR B 88 4.808 -16.675 9.485 1.00 14.21 H new ATOM 0 HG21 THR B 88 7.951 -17.491 10.845 1.00 23.03 H new ATOM 0 HG22 THR B 88 8.526 -15.820 10.639 1.00 23.03 H new ATOM 0 HG23 THR B 88 7.077 -16.148 11.619 1.00 23.03 H new ATOM 2978 N MET B 89 4.341 -14.196 7.876 1.00 54.10 N ATOM 2979 CA MET B 89 3.541 -14.030 6.637 1.00 60.22 C ATOM 2980 C MET B 89 4.270 -13.162 5.596 1.00 11.33 C ATOM 2981 O MET B 89 4.228 -13.471 4.406 1.00 65.14 O ATOM 2982 CB MET B 89 2.150 -13.416 6.956 1.00 22.45 C ATOM 2983 CG MET B 89 1.264 -13.154 5.721 1.00 62.32 C ATOM 2984 SD MET B 89 1.000 -14.648 4.732 1.00 62.20 S ATOM 2985 CE MET B 89 0.135 -13.998 3.300 1.00 60.33 C ATOM 0 H MET B 89 3.840 -13.920 8.721 1.00 54.10 H new ATOM 0 HA MET B 89 3.403 -15.024 6.210 1.00 60.22 H new ATOM 0 HB2 MET B 89 1.619 -14.086 7.632 1.00 22.45 H new ATOM 0 HB3 MET B 89 2.296 -12.476 7.488 1.00 22.45 H new ATOM 0 HG2 MET B 89 0.300 -12.761 6.045 1.00 62.32 H new ATOM 0 HG3 MET B 89 1.728 -12.388 5.100 1.00 62.32 H new ATOM 0 HE1 MET B 89 -0.089 -14.811 2.610 1.00 60.33 H new ATOM 0 HE2 MET B 89 -0.795 -13.527 3.619 1.00 60.33 H new ATOM 0 HE3 MET B 89 0.762 -13.260 2.800 1.00 60.33 H new ATOM 2995 N PHE B 90 4.959 -12.107 6.075 1.00 72.21 N ATOM 2996 CA PHE B 90 5.701 -11.162 5.216 1.00 4.43 C ATOM 2997 C PHE B 90 6.772 -11.905 4.408 1.00 2.25 C ATOM 2998 O PHE B 90 6.736 -11.912 3.183 1.00 35.24 O ATOM 2999 CB PHE B 90 6.367 -10.045 6.069 1.00 43.03 C ATOM 3000 CG PHE B 90 5.419 -9.323 7.020 1.00 71.55 C ATOM 3001 CD1 PHE B 90 4.640 -8.254 6.578 1.00 73.32 C ATOM 3002 CD2 PHE B 90 5.309 -9.714 8.360 1.00 23.34 C ATOM 3003 CE1 PHE B 90 3.786 -7.602 7.443 1.00 20.13 C ATOM 3004 CE2 PHE B 90 4.455 -9.062 9.221 1.00 43.12 C ATOM 3005 CZ PHE B 90 3.695 -8.006 8.765 1.00 44.01 C ATOM 0 H PHE B 90 5.017 -11.886 7.069 1.00 72.21 H new ATOM 0 HA PHE B 90 4.991 -10.700 4.530 1.00 4.43 H new ATOM 0 HB2 PHE B 90 7.178 -10.484 6.650 1.00 43.03 H new ATOM 0 HB3 PHE B 90 6.816 -9.312 5.398 1.00 43.03 H new ATOM 0 HD1 PHE B 90 4.706 -7.934 5.549 1.00 73.32 H new ATOM 0 HD2 PHE B 90 5.903 -10.539 8.724 1.00 23.34 H new ATOM 0 HE1 PHE B 90 3.188 -6.776 7.089 1.00 20.13 H new ATOM 0 HE2 PHE B 90 4.381 -9.377 10.251 1.00 43.12 H new ATOM 0 HZ PHE B 90 3.027 -7.492 9.440 1.00 44.01 H new ATOM 3015 N ASN B 91 7.686 -12.565 5.136 1.00 71.30 N ATOM 3016 CA ASN B 91 8.787 -13.355 4.558 1.00 24.21 C ATOM 3017 C ASN B 91 8.265 -14.526 3.701 1.00 40.54 C ATOM 3018 O ASN B 91 8.896 -14.905 2.718 1.00 1.23 O ATOM 3019 CB ASN B 91 9.691 -13.875 5.705 1.00 51.23 C ATOM 3020 CG ASN B 91 10.779 -14.841 5.228 1.00 22.53 C ATOM 3021 OD1 ASN B 91 10.622 -16.056 5.293 1.00 2.55 O ATOM 3022 ND2 ASN B 91 11.865 -14.315 4.701 1.00 1.44 N ATOM 0 H ASN B 91 7.682 -12.566 6.156 1.00 71.30 H new ATOM 0 HA ASN B 91 9.366 -12.712 3.895 1.00 24.21 H new ATOM 0 HB2 ASN B 91 10.161 -13.026 6.201 1.00 51.23 H new ATOM 0 HB3 ASN B 91 9.071 -14.376 6.449 1.00 51.23 H new ATOM 0 HD21 ASN B 91 12.599 -14.921 4.335 1.00 1.44 H new ATOM 0 HD22 ASN B 91 11.972 -13.302 4.659 1.00 1.44 H new ATOM 3029 N LYS B 92 7.089 -15.043 4.089 1.00 22.33 N ATOM 3030 CA LYS B 92 6.478 -16.251 3.511 1.00 72.12 C ATOM 3031 C LYS B 92 6.233 -16.116 1.997 1.00 55.22 C ATOM 3032 O LYS B 92 6.697 -16.956 1.221 1.00 32.12 O ATOM 3033 CB LYS B 92 5.164 -16.541 4.267 1.00 43.13 C ATOM 3034 CG LYS B 92 4.488 -17.888 3.954 1.00 55.25 C ATOM 3035 CD LYS B 92 3.285 -18.162 4.893 1.00 72.42 C ATOM 3036 CE LYS B 92 3.684 -18.149 6.389 1.00 43.31 C ATOM 3037 NZ LYS B 92 2.531 -18.410 7.288 1.00 52.53 N ATOM 0 H LYS B 92 6.524 -14.625 4.828 1.00 22.33 H new ATOM 0 HA LYS B 92 7.168 -17.086 3.628 1.00 72.12 H new ATOM 0 HB2 LYS B 92 5.367 -16.499 5.337 1.00 43.13 H new ATOM 0 HB3 LYS B 92 4.457 -15.742 4.045 1.00 43.13 H new ATOM 0 HG2 LYS B 92 4.149 -17.892 2.918 1.00 55.25 H new ATOM 0 HG3 LYS B 92 5.217 -18.692 4.054 1.00 55.25 H new ATOM 0 HD2 LYS B 92 2.515 -17.411 4.719 1.00 72.42 H new ATOM 0 HD3 LYS B 92 2.848 -19.129 4.645 1.00 72.42 H new ATOM 0 HE2 LYS B 92 4.454 -18.901 6.563 1.00 43.31 H new ATOM 0 HE3 LYS B 92 4.122 -17.182 6.636 1.00 43.31 H new ATOM 0 HZ1 LYS B 92 2.537 -17.723 8.069 1.00 52.53 H new ATOM 0 HZ2 LYS B 92 1.645 -18.317 6.752 1.00 52.53 H new ATOM 0 HZ3 LYS B 92 2.602 -19.373 7.673 1.00 52.53 H new ATOM 3051 N ILE B 93 5.501 -15.062 1.574 1.00 61.03 N ATOM 3052 CA ILE B 93 5.258 -14.835 0.130 1.00 41.43 C ATOM 3053 C ILE B 93 6.452 -14.105 -0.513 1.00 63.41 C ATOM 3054 O ILE B 93 6.737 -14.311 -1.690 1.00 25.45 O ATOM 3055 CB ILE B 93 3.909 -14.073 -0.190 1.00 70.02 C ATOM 3056 CG1 ILE B 93 3.944 -12.549 0.181 1.00 0.13 C ATOM 3057 CG2 ILE B 93 2.707 -14.775 0.493 1.00 11.53 C ATOM 3058 CD1 ILE B 93 3.850 -12.227 1.656 1.00 45.21 C ATOM 0 H ILE B 93 5.077 -14.370 2.193 1.00 61.03 H new ATOM 0 HA ILE B 93 5.151 -15.827 -0.309 1.00 41.43 H new ATOM 0 HB ILE B 93 3.786 -14.119 -1.272 1.00 70.02 H new ATOM 0 HG12 ILE B 93 4.869 -12.121 -0.206 1.00 0.13 H new ATOM 0 HG13 ILE B 93 3.122 -12.050 -0.333 1.00 0.13 H new ATOM 0 HG21 ILE B 93 1.790 -14.235 0.260 1.00 11.53 H new ATOM 0 HG22 ILE B 93 2.628 -15.799 0.127 1.00 11.53 H new ATOM 0 HG23 ILE B 93 2.857 -14.786 1.573 1.00 11.53 H new ATOM 0 HD11 ILE B 93 3.884 -11.146 1.795 1.00 45.21 H new ATOM 0 HD12 ILE B 93 2.912 -12.615 2.054 1.00 45.21 H new ATOM 0 HD13 ILE B 93 4.686 -12.687 2.183 1.00 45.21 H new ATOM 3070 N ALA B 94 7.150 -13.272 0.290 1.00 43.12 N ATOM 3071 CA ALA B 94 8.248 -12.406 -0.189 1.00 4.25 C ATOM 3072 C ALA B 94 9.492 -13.197 -0.619 1.00 2.44 C ATOM 3073 O ALA B 94 10.252 -12.723 -1.466 1.00 42.32 O ATOM 3074 CB ALA B 94 8.622 -11.383 0.885 1.00 11.34 C ATOM 0 H ALA B 94 6.967 -13.182 1.289 1.00 43.12 H new ATOM 0 HA ALA B 94 7.877 -11.892 -1.076 1.00 4.25 H new ATOM 0 HB1 ALA B 94 9.432 -10.751 0.520 1.00 11.34 H new ATOM 0 HB2 ALA B 94 7.755 -10.764 1.116 1.00 11.34 H new ATOM 0 HB3 ALA B 94 8.946 -11.904 1.786 1.00 11.34 H new ATOM 3080 N VAL B 95 9.708 -14.385 -0.015 1.00 73.13 N ATOM 3081 CA VAL B 95 10.872 -15.232 -0.334 1.00 2.00 C ATOM 3082 C VAL B 95 10.789 -15.736 -1.789 1.00 64.33 C ATOM 3083 O VAL B 95 11.790 -15.768 -2.504 1.00 1.03 O ATOM 3084 CB VAL B 95 11.041 -16.432 0.684 1.00 34.33 C ATOM 3085 CG1 VAL B 95 9.868 -17.435 0.621 1.00 63.24 C ATOM 3086 CG2 VAL B 95 12.405 -17.139 0.497 1.00 70.44 C ATOM 0 H VAL B 95 9.090 -14.777 0.696 1.00 73.13 H new ATOM 0 HA VAL B 95 11.764 -14.614 -0.232 1.00 2.00 H new ATOM 0 HB VAL B 95 11.022 -16.000 1.684 1.00 34.33 H new ATOM 0 HG11 VAL B 95 10.036 -18.237 1.340 1.00 63.24 H new ATOM 0 HG12 VAL B 95 8.937 -16.922 0.861 1.00 63.24 H new ATOM 0 HG13 VAL B 95 9.802 -17.855 -0.383 1.00 63.24 H new ATOM 0 HG21 VAL B 95 12.491 -17.958 1.211 1.00 70.44 H new ATOM 0 HG22 VAL B 95 12.475 -17.532 -0.517 1.00 70.44 H new ATOM 0 HG23 VAL B 95 13.211 -16.425 0.666 1.00 70.44 H new ATOM 3096 N PHE B 96 9.572 -16.081 -2.224 1.00 13.11 N ATOM 3097 CA PHE B 96 9.307 -16.511 -3.600 1.00 75.33 C ATOM 3098 C PHE B 96 8.983 -15.279 -4.472 1.00 45.01 C ATOM 3099 O PHE B 96 9.112 -15.332 -5.695 1.00 40.11 O ATOM 3100 CB PHE B 96 8.151 -17.548 -3.601 1.00 71.24 C ATOM 3101 CG PHE B 96 8.045 -18.374 -4.881 1.00 55.03 C ATOM 3102 CD1 PHE B 96 9.124 -19.151 -5.314 1.00 24.34 C ATOM 3103 CD2 PHE B 96 6.882 -18.388 -5.642 1.00 13.11 C ATOM 3104 CE1 PHE B 96 9.038 -19.905 -6.469 1.00 43.03 C ATOM 3105 CE2 PHE B 96 6.798 -19.144 -6.796 1.00 11.51 C ATOM 3106 CZ PHE B 96 7.874 -19.901 -7.210 1.00 40.33 C ATOM 0 H PHE B 96 8.743 -16.070 -1.631 1.00 13.11 H new ATOM 0 HA PHE B 96 10.187 -16.993 -4.025 1.00 75.33 H new ATOM 0 HB2 PHE B 96 8.285 -18.224 -2.757 1.00 71.24 H new ATOM 0 HB3 PHE B 96 7.209 -17.024 -3.443 1.00 71.24 H new ATOM 0 HD1 PHE B 96 10.037 -19.162 -4.738 1.00 24.34 H new ATOM 0 HD2 PHE B 96 6.032 -17.800 -5.327 1.00 13.11 H new ATOM 0 HE1 PHE B 96 9.882 -20.497 -6.792 1.00 43.03 H new ATOM 0 HE2 PHE B 96 5.887 -19.142 -7.376 1.00 11.51 H new ATOM 0 HZ PHE B 96 7.806 -20.490 -8.113 1.00 40.33 H new ATOM 3116 N PHE B 97 8.564 -14.175 -3.786 1.00 62.01 N ATOM 3117 CA PHE B 97 8.250 -12.818 -4.341 1.00 13.52 C ATOM 3118 C PHE B 97 7.327 -12.813 -5.576 1.00 73.11 C ATOM 3119 O PHE B 97 7.183 -11.764 -6.230 1.00 41.44 O ATOM 3120 CB PHE B 97 9.543 -11.954 -4.573 1.00 22.45 C ATOM 3121 CG PHE B 97 10.591 -12.521 -5.546 1.00 43.45 C ATOM 3122 CD1 PHE B 97 10.461 -12.361 -6.932 1.00 32.24 C ATOM 3123 CD2 PHE B 97 11.717 -13.207 -5.072 1.00 51.21 C ATOM 3124 CE1 PHE B 97 11.409 -12.873 -7.802 1.00 34.10 C ATOM 3125 CE2 PHE B 97 12.661 -13.718 -5.944 1.00 25.42 C ATOM 3126 CZ PHE B 97 12.509 -13.548 -7.307 1.00 65.22 C ATOM 0 H PHE B 97 8.428 -14.207 -2.776 1.00 62.01 H new ATOM 0 HA PHE B 97 7.663 -12.340 -3.557 1.00 13.52 H new ATOM 0 HB2 PHE B 97 9.236 -10.974 -4.938 1.00 22.45 H new ATOM 0 HB3 PHE B 97 10.025 -11.798 -3.608 1.00 22.45 H new ATOM 0 HD1 PHE B 97 9.608 -11.830 -7.328 1.00 32.24 H new ATOM 0 HD2 PHE B 97 11.850 -13.339 -4.008 1.00 51.21 H new ATOM 0 HE1 PHE B 97 11.289 -12.745 -8.868 1.00 34.10 H new ATOM 0 HE2 PHE B 97 13.518 -14.251 -5.559 1.00 25.42 H new ATOM 0 HZ PHE B 97 13.250 -13.943 -7.986 1.00 65.22 H new ATOM 3136 N GLN B 98 6.657 -13.953 -5.835 1.00 5.10 N ATOM 3137 CA GLN B 98 5.821 -14.149 -7.026 1.00 45.04 C ATOM 3138 C GLN B 98 5.096 -15.527 -6.912 1.00 53.34 C ATOM 3139 O GLN B 98 5.240 -16.400 -7.802 1.00 14.35 O ATOM 3140 CB GLN B 98 6.716 -14.013 -8.313 1.00 23.42 C ATOM 3141 CG GLN B 98 5.957 -13.841 -9.637 1.00 34.14 C ATOM 3142 CD GLN B 98 4.922 -12.730 -9.567 1.00 63.52 C ATOM 3143 OE1 GLN B 98 3.757 -12.974 -9.272 1.00 3.35 O ATOM 3144 NE2 GLN B 98 5.344 -11.498 -9.819 1.00 1.43 N ATOM 3145 OXT GLN B 98 4.423 -15.748 -5.882 1.00 37.81 O ATOM 0 H GLN B 98 6.684 -14.765 -5.218 1.00 5.10 H new ATOM 0 HA GLN B 98 5.046 -13.387 -7.102 1.00 45.04 H new ATOM 0 HB2 GLN B 98 7.380 -13.159 -8.183 1.00 23.42 H new ATOM 0 HB3 GLN B 98 7.347 -14.898 -8.390 1.00 23.42 H new ATOM 0 HG2 GLN B 98 6.667 -13.624 -10.435 1.00 34.14 H new ATOM 0 HG3 GLN B 98 5.464 -14.778 -9.895 1.00 34.14 H new ATOM 0 HE21 GLN B 98 6.321 -11.333 -10.061 1.00 1.43 H new ATOM 0 HE22 GLN B 98 4.692 -10.715 -9.770 1.00 1.43 H new TER 3154 GLN B 98