USER MOD reduce.3.24.130724 H: found=0, std=0, add=1576, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 7 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 10 ASN : amide:sc= -0.1 X(o=1.2,f=0.9) USER MOD Set 1.3: B 85 SER OG : rot -148:sc= 1.28 USER MOD Set 2.1: B 81 GLN : amide:sc= 0.0992 K(o=0.48,f=1.3) USER MOD Set 2.2: B 83 ASN : amide:sc= 0.38 K(o=0.48,f=1.3) USER MOD Set 3.1: B 43 CYS SG : rot -45:sc= 0.356 USER MOD Set 3.2: B 52 SER OG : rot -147:sc= 1.37 USER MOD Set 4.1: B 47 GLN : amide:sc= -1.61! K(o=-6.4!,f=-3.4) USER MOD Set 4.2: B 98 GLN : amide:sc= -4.82! C(o=-6.4!,f=-4.8!) USER MOD Set 5.1: A 19 ASN : amide:sc= 0.365 K(o=-0.49,f=-6.7!) USER MOD Set 5.2: B 37 ASN : amide:sc= -0.859 K(o=-0.49,f=-2.3) USER MOD Set 6.1: A 28 CYS SG : rot 91:sc= -1.56! USER MOD Set 6.2: B 28 CYS SG : rot 99:sc= -1.72! USER MOD Set 7.1: A 37 ASN : amide:sc= -1.04 K(o=-0.8,f=-2.4) USER MOD Set 7.2: B 19 ASN : amide:sc= 0.241 K(o=-0.8,f=-6.6!) USER MOD Set 8.1: A 81 GLN : amide:sc= 0.112 K(o=0.47,f=1.3) USER MOD Set 8.2: A 83 ASN : amide:sc= 0.361 K(o=0.47,f=1.3) USER MOD Set 9.1: A 43 CYS SG : rot -70:sc= 0.0986 USER MOD Set 9.2: A 52 SER OG : rot -160:sc= 1.24 USER MOD Set10.1: A 10 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.8!) USER MOD Set10.2: A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -177:sc= -0.13 (180deg=-0.184) USER MOD Single : A 4 GLN : amide:sc=-0.00835 X(o=-0.0083,f=-0.0083) USER MOD Single : A 5 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.44) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -55:sc= 0.144 USER MOD Single : A 8 HIS : no HD1:sc= -0.447 X(o=-0.45,f=-0.16) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -2.08 X(o=-2.1,f=-1.7) USER MOD Single : A 24 MET CE :methyl -166:sc= 0 (180deg=-0.41) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.717 K(o=-0.72,f=-2.6!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 75:sc= 0.313 USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00775) USER MOD Single : A 53 HIS : no HE2:sc= -1.53 K(o=-1.5,f=-3.4) USER MOD Single : A 59 ASN : amide:sc= 0.92 K(o=0.92,f=-3.7!) USER MOD Single : A 62 GLN : amide:sc= -0.0404 X(o=-0.04,f=-0.04) USER MOD Single : A 66 GLN : amide:sc= -0.0578 X(o=-0.058,f=-0.058) USER MOD Single : A 67 MET CE :methyl 169:sc=-0.000403 (180deg=-0.17) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.99! K(o=-3!,f=-0.94) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0.385 (180deg=0.356) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 88 THR OG1 : rot 25:sc= 0.538 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 142:sc= 0.935 (180deg=0.17) USER MOD Single : A 98 GLN : amide:sc= -0.825 K(o=-0.82,f=-3.9!) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 29:sc= 0.314 USER MOD Single : B 3 MET CE :methyl -138:sc= -0.193 (180deg=-1.63) USER MOD Single : B 4 GLN : amide:sc= -0.0638 X(o=-0.064,f=-0.076) USER MOD Single : B 5 ASN : amide:sc=-0.00587 K(o=-0.0059,f=-3.9!) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0.00929 USER MOD Single : B 8 HIS : no HD1:sc= -0.0619 X(o=-0.062,f=0.0053) USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 HIS : no HD1:sc= -2 X(o=-2,f=-1.5) USER MOD Single : B 24 MET CE :methyl -165:sc= 0 (180deg=-0.475) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 HIS : no HD1:sc= -0.653 K(o=-0.65,f=-2.5!) USER MOD Single : B 49 SER OG : rot 76:sc= 0.318 USER MOD Single : B 51 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00536) USER MOD Single : B 53 HIS : no HE2:sc= -1.6 K(o=-1.6,f=-3.2) USER MOD Single : B 59 ASN : amide:sc= 1.6 K(o=1.6,f=-4.4!) USER MOD Single : B 62 GLN : amide:sc= -0.0341 X(o=-0.034,f=-0.033) USER MOD Single : B 66 GLN : amide:sc= -0.0269 X(o=-0.027,f=-0.027) USER MOD Single : B 67 MET CE :methyl 167:sc=-0.00908 (180deg=-0.271) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 GLN : amide:sc= -3.24! K(o=-3.2!,f=-1.1) USER MOD Single : B 73 LYS NZ :NH3+ -172:sc= 0.476 (180deg=0.441) USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 88 THR OG1 : rot 22:sc= 0.539 USER MOD Single : B 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 92 LYS NZ :NH3+ 140:sc= 0.986 (180deg=0.132) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.038 3.862 -22.093 1.00 64.43 N ATOM 2 CA GLY A 1 3.223 3.667 -22.962 1.00 74.32 C ATOM 3 C GLY A 1 3.982 2.389 -22.629 1.00 74.51 C ATOM 4 O GLY A 1 4.450 2.226 -21.495 1.00 4.10 O ATOM 0 H1 GLY A 1 1.555 4.744 -22.358 1.00 64.43 H new ATOM 0 H2 GLY A 1 1.385 3.061 -22.211 1.00 64.43 H new ATOM 0 H3 GLY A 1 2.341 3.918 -21.100 1.00 64.43 H new ATOM 0 HA2 GLY A 1 2.905 3.637 -24.004 1.00 74.32 H new ATOM 0 HA3 GLY A 1 3.892 4.521 -22.857 1.00 74.32 H new ATOM 10 N SER A 2 4.102 1.486 -23.617 1.00 34.21 N ATOM 11 CA SER A 2 4.768 0.185 -23.461 1.00 52.50 C ATOM 12 C SER A 2 6.305 0.354 -23.380 1.00 54.33 C ATOM 13 O SER A 2 6.938 0.790 -24.348 1.00 53.41 O ATOM 14 CB SER A 2 4.384 -0.721 -24.648 1.00 32.03 C ATOM 15 OG SER A 2 2.978 -0.748 -24.837 1.00 50.12 O ATOM 0 H SER A 2 3.735 1.642 -24.556 1.00 34.21 H new ATOM 0 HA SER A 2 4.439 -0.275 -22.529 1.00 52.50 H new ATOM 0 HB2 SER A 2 4.869 -0.361 -25.556 1.00 32.03 H new ATOM 0 HB3 SER A 2 4.750 -1.732 -24.470 1.00 32.03 H new ATOM 0 HG SER A 2 2.761 -1.328 -25.597 1.00 50.12 H new ATOM 21 N MET A 3 6.890 0.032 -22.213 1.00 13.00 N ATOM 22 CA MET A 3 8.352 0.154 -21.961 1.00 34.34 C ATOM 23 C MET A 3 8.942 -1.208 -21.545 1.00 50.33 C ATOM 24 O MET A 3 8.247 -2.231 -21.610 1.00 32.24 O ATOM 25 CB MET A 3 8.623 1.244 -20.880 1.00 41.53 C ATOM 26 CG MET A 3 8.088 2.640 -21.239 1.00 42.31 C ATOM 27 SD MET A 3 8.632 3.940 -20.102 1.00 41.14 S ATOM 28 CE MET A 3 7.989 3.376 -18.535 1.00 22.23 C ATOM 0 H MET A 3 6.368 -0.322 -21.411 1.00 13.00 H new ATOM 0 HA MET A 3 8.846 0.463 -22.882 1.00 34.34 H new ATOM 0 HB2 MET A 3 8.172 0.926 -19.940 1.00 41.53 H new ATOM 0 HB3 MET A 3 9.698 1.312 -20.711 1.00 41.53 H new ATOM 0 HG2 MET A 3 8.410 2.894 -22.249 1.00 42.31 H new ATOM 0 HG3 MET A 3 6.998 2.611 -21.249 1.00 42.31 H new ATOM 0 HE1 MET A 3 8.210 4.114 -17.764 1.00 22.23 H new ATOM 0 HE2 MET A 3 6.910 3.243 -18.611 1.00 22.23 H new ATOM 0 HE3 MET A 3 8.454 2.426 -18.271 1.00 22.23 H new ATOM 38 N GLN A 4 10.234 -1.216 -21.148 1.00 22.41 N ATOM 39 CA GLN A 4 10.929 -2.434 -20.695 1.00 20.23 C ATOM 40 C GLN A 4 10.391 -2.855 -19.314 1.00 72.15 C ATOM 41 O GLN A 4 10.912 -2.409 -18.297 1.00 2.10 O ATOM 42 CB GLN A 4 12.467 -2.196 -20.625 1.00 32.52 C ATOM 43 CG GLN A 4 13.134 -1.802 -21.959 1.00 72.25 C ATOM 44 CD GLN A 4 13.020 -2.883 -23.035 1.00 12.34 C ATOM 45 OE1 GLN A 4 12.081 -2.893 -23.834 1.00 12.53 O ATOM 46 NE2 GLN A 4 13.965 -3.813 -23.049 1.00 41.50 N ATOM 0 H GLN A 4 10.819 -0.381 -21.134 1.00 22.41 H new ATOM 0 HA GLN A 4 10.741 -3.233 -21.412 1.00 20.23 H new ATOM 0 HB2 GLN A 4 12.664 -1.412 -19.894 1.00 32.52 H new ATOM 0 HB3 GLN A 4 12.942 -3.104 -20.254 1.00 32.52 H new ATOM 0 HG2 GLN A 4 12.678 -0.883 -22.327 1.00 72.25 H new ATOM 0 HG3 GLN A 4 14.187 -1.586 -21.781 1.00 72.25 H new ATOM 0 HE21 GLN A 4 14.728 -3.775 -22.373 1.00 41.50 H new ATOM 0 HE22 GLN A 4 13.929 -4.567 -23.735 1.00 41.50 H new ATOM 55 N ASN A 5 9.317 -3.671 -19.295 1.00 71.15 N ATOM 56 CA ASN A 5 8.706 -4.170 -18.044 1.00 54.32 C ATOM 57 C ASN A 5 9.670 -5.153 -17.331 1.00 40.11 C ATOM 58 O ASN A 5 9.636 -6.373 -17.533 1.00 52.53 O ATOM 59 CB ASN A 5 7.297 -4.789 -18.310 1.00 2.21 C ATOM 60 CG ASN A 5 7.248 -5.796 -19.468 1.00 53.12 C ATOM 61 OD1 ASN A 5 7.042 -5.415 -20.622 1.00 2.03 O ATOM 62 ND2 ASN A 5 7.431 -7.079 -19.177 1.00 62.01 N ATOM 0 H ASN A 5 8.851 -4.001 -20.140 1.00 71.15 H new ATOM 0 HA ASN A 5 8.545 -3.329 -17.369 1.00 54.32 H new ATOM 0 HB2 ASN A 5 6.955 -5.284 -17.401 1.00 2.21 H new ATOM 0 HB3 ASN A 5 6.594 -3.982 -18.518 1.00 2.21 H new ATOM 0 HD21 ASN A 5 7.403 -7.779 -19.918 1.00 62.01 H new ATOM 0 HD22 ASN A 5 7.600 -7.364 -18.212 1.00 62.01 H new ATOM 69 N THR A 6 10.576 -4.571 -16.535 1.00 55.14 N ATOM 70 CA THR A 6 11.695 -5.274 -15.892 1.00 31.54 C ATOM 71 C THR A 6 11.877 -4.751 -14.445 1.00 22.40 C ATOM 72 O THR A 6 11.457 -3.629 -14.134 1.00 40.22 O ATOM 73 CB THR A 6 13.003 -5.058 -16.742 1.00 71.10 C ATOM 74 OG1 THR A 6 12.748 -5.381 -18.127 1.00 71.30 O ATOM 75 CG2 THR A 6 14.179 -5.918 -16.249 1.00 24.12 C ATOM 0 H THR A 6 10.551 -3.575 -16.315 1.00 55.14 H new ATOM 0 HA THR A 6 11.486 -6.343 -15.843 1.00 31.54 H new ATOM 0 HB THR A 6 13.279 -4.010 -16.630 1.00 71.10 H new ATOM 0 HG1 THR A 6 13.565 -5.243 -18.651 1.00 71.30 H new ATOM 0 HG21 THR A 6 15.054 -5.729 -16.871 1.00 24.12 H new ATOM 0 HG22 THR A 6 14.407 -5.663 -15.214 1.00 24.12 H new ATOM 0 HG23 THR A 6 13.910 -6.972 -16.312 1.00 24.12 H new ATOM 83 N THR A 7 12.494 -5.578 -13.570 1.00 41.41 N ATOM 84 CA THR A 7 12.786 -5.235 -12.157 1.00 14.54 C ATOM 85 C THR A 7 14.004 -4.268 -12.067 1.00 43.31 C ATOM 86 O THR A 7 15.063 -4.575 -11.495 1.00 15.13 O ATOM 87 CB THR A 7 12.987 -6.550 -11.306 1.00 23.12 C ATOM 88 OG1 THR A 7 13.316 -6.244 -9.938 1.00 41.15 O ATOM 89 CG2 THR A 7 14.052 -7.491 -11.906 1.00 51.54 C ATOM 0 H THR A 7 12.807 -6.514 -13.828 1.00 41.41 H new ATOM 0 HA THR A 7 11.934 -4.705 -11.731 1.00 14.54 H new ATOM 0 HB THR A 7 12.032 -7.075 -11.333 1.00 23.12 H new ATOM 0 HG1 THR A 7 14.100 -5.656 -9.914 1.00 41.15 H new ATOM 0 HG21 THR A 7 14.148 -8.378 -11.280 1.00 51.54 H new ATOM 0 HG22 THR A 7 13.751 -7.787 -12.911 1.00 51.54 H new ATOM 0 HG23 THR A 7 15.010 -6.974 -11.952 1.00 51.54 H new ATOM 97 N HIS A 8 13.794 -3.078 -12.643 1.00 5.41 N ATOM 98 CA HIS A 8 14.804 -2.013 -12.832 1.00 14.13 C ATOM 99 C HIS A 8 14.105 -0.785 -13.429 1.00 63.32 C ATOM 100 O HIS A 8 14.495 0.348 -13.160 1.00 63.04 O ATOM 101 CB HIS A 8 16.000 -2.471 -13.755 1.00 22.02 C ATOM 102 CG HIS A 8 17.282 -2.778 -13.015 1.00 71.20 C ATOM 103 ND1 HIS A 8 18.275 -3.589 -13.521 1.00 64.31 N ATOM 104 CD2 HIS A 8 17.736 -2.357 -11.810 1.00 54.35 C ATOM 105 CE1 HIS A 8 19.273 -3.654 -12.661 1.00 33.20 C ATOM 106 NE2 HIS A 8 18.970 -2.915 -11.618 1.00 42.33 N ATOM 0 H HIS A 8 12.879 -2.813 -13.008 1.00 5.41 H new ATOM 0 HA HIS A 8 15.240 -1.773 -11.862 1.00 14.13 H new ATOM 0 HB2 HIS A 8 15.695 -3.358 -14.310 1.00 22.02 H new ATOM 0 HB3 HIS A 8 16.197 -1.688 -14.488 1.00 22.02 H new ATOM 0 HD2 HIS A 8 17.218 -1.701 -11.126 1.00 54.35 H new ATOM 0 HE1 HIS A 8 20.184 -4.219 -12.792 1.00 33.20 H new ATOM 0 HE2 HIS A 8 19.560 -2.779 -10.797 1.00 42.33 H new ATOM 115 N ASP A 9 13.094 -1.047 -14.279 1.00 5.45 N ATOM 116 CA ASP A 9 12.178 -0.019 -14.811 1.00 22.34 C ATOM 117 C ASP A 9 11.438 0.664 -13.657 1.00 64.21 C ATOM 118 O ASP A 9 11.370 1.897 -13.583 1.00 52.30 O ATOM 119 CB ASP A 9 11.180 -0.682 -15.797 1.00 31.21 C ATOM 120 CG ASP A 9 10.015 0.230 -16.239 1.00 54.21 C ATOM 121 OD1 ASP A 9 10.210 1.071 -17.147 1.00 11.55 O ATOM 122 OD2 ASP A 9 8.902 0.110 -15.674 1.00 10.42 O ATOM 0 H ASP A 9 12.888 -1.986 -14.619 1.00 5.45 H new ATOM 0 HA ASP A 9 12.745 0.741 -15.348 1.00 22.34 H new ATOM 0 HB2 ASP A 9 11.726 -1.008 -16.682 1.00 31.21 H new ATOM 0 HB3 ASP A 9 10.768 -1.576 -15.330 1.00 31.21 H new ATOM 127 N ASN A 10 10.926 -0.161 -12.728 1.00 65.01 N ATOM 128 CA ASN A 10 10.278 0.335 -11.512 1.00 74.34 C ATOM 129 C ASN A 10 11.355 0.798 -10.519 1.00 33.55 C ATOM 130 O ASN A 10 12.376 0.140 -10.349 1.00 33.10 O ATOM 131 CB ASN A 10 9.366 -0.752 -10.867 1.00 15.44 C ATOM 132 CG ASN A 10 10.119 -2.022 -10.428 1.00 65.42 C ATOM 133 OD1 ASN A 10 10.284 -2.961 -11.205 1.00 50.44 O ATOM 134 ND2 ASN A 10 10.586 -2.059 -9.181 1.00 34.51 N ATOM 0 H ASN A 10 10.951 -1.178 -12.801 1.00 65.01 H new ATOM 0 HA ASN A 10 9.638 1.177 -11.775 1.00 74.34 H new ATOM 0 HB2 ASN A 10 8.863 -0.322 -10.001 1.00 15.44 H new ATOM 0 HB3 ASN A 10 8.590 -1.030 -11.580 1.00 15.44 H new ATOM 0 HD21 ASN A 10 11.094 -2.880 -8.851 1.00 34.51 H new ATOM 0 HD22 ASN A 10 10.436 -1.267 -8.556 1.00 34.51 H new ATOM 141 N VAL A 11 11.111 1.942 -9.890 1.00 34.10 N ATOM 142 CA VAL A 11 11.999 2.549 -8.897 1.00 35.41 C ATOM 143 C VAL A 11 11.402 2.289 -7.524 1.00 73.44 C ATOM 144 O VAL A 11 10.172 2.115 -7.393 1.00 74.30 O ATOM 145 CB VAL A 11 12.212 4.094 -9.126 1.00 31.31 C ATOM 146 CG1 VAL A 11 12.790 4.367 -10.533 1.00 40.12 C ATOM 147 CG2 VAL A 11 10.915 4.911 -8.879 1.00 41.10 C ATOM 0 H VAL A 11 10.268 2.490 -10.059 1.00 34.10 H new ATOM 0 HA VAL A 11 12.987 2.098 -8.988 1.00 35.41 H new ATOM 0 HB VAL A 11 12.939 4.432 -8.387 1.00 31.31 H new ATOM 0 HG11 VAL A 11 12.928 5.440 -10.668 1.00 40.12 H new ATOM 0 HG12 VAL A 11 13.750 3.862 -10.636 1.00 40.12 H new ATOM 0 HG13 VAL A 11 12.100 3.992 -11.289 1.00 40.12 H new ATOM 0 HG21 VAL A 11 11.113 5.969 -9.050 1.00 41.10 H new ATOM 0 HG22 VAL A 11 10.136 4.573 -9.563 1.00 41.10 H new ATOM 0 HG23 VAL A 11 10.583 4.765 -7.851 1.00 41.10 H new ATOM 157 N ILE A 12 12.273 2.227 -6.511 1.00 41.33 N ATOM 158 CA ILE A 12 11.889 1.803 -5.164 1.00 70.44 C ATOM 159 C ILE A 12 11.864 3.046 -4.251 1.00 4.13 C ATOM 160 O ILE A 12 12.855 3.384 -3.606 1.00 25.11 O ATOM 161 CB ILE A 12 12.921 0.714 -4.653 1.00 0.21 C ATOM 162 CG1 ILE A 12 13.242 -0.336 -5.756 1.00 53.22 C ATOM 163 CG2 ILE A 12 12.424 -0.008 -3.398 1.00 53.22 C ATOM 164 CD1 ILE A 12 12.094 -1.234 -6.180 1.00 12.33 C ATOM 0 H ILE A 12 13.260 2.469 -6.603 1.00 41.33 H new ATOM 0 HA ILE A 12 10.897 1.351 -5.157 1.00 70.44 H new ATOM 0 HB ILE A 12 13.832 1.258 -4.403 1.00 0.21 H new ATOM 0 HG12 ILE A 12 13.607 0.193 -6.637 1.00 53.22 H new ATOM 0 HG13 ILE A 12 14.058 -0.967 -5.402 1.00 53.22 H new ATOM 0 HG21 ILE A 12 13.164 -0.745 -3.085 1.00 53.22 H new ATOM 0 HG22 ILE A 12 12.272 0.716 -2.598 1.00 53.22 H new ATOM 0 HG23 ILE A 12 11.482 -0.511 -3.616 1.00 53.22 H new ATOM 0 HD11 ILE A 12 12.437 -1.923 -6.952 1.00 12.33 H new ATOM 0 HD12 ILE A 12 11.739 -1.801 -5.320 1.00 12.33 H new ATOM 0 HD13 ILE A 12 11.281 -0.624 -6.573 1.00 12.33 H new ATOM 176 N LEU A 13 10.726 3.747 -4.229 1.00 65.15 N ATOM 177 CA LEU A 13 10.591 5.023 -3.493 1.00 51.14 C ATOM 178 C LEU A 13 10.064 4.769 -2.084 1.00 64.13 C ATOM 179 O LEU A 13 8.860 4.556 -1.917 1.00 14.11 O ATOM 180 CB LEU A 13 9.631 5.986 -4.249 1.00 75.15 C ATOM 181 CG LEU A 13 10.077 6.407 -5.678 1.00 4.25 C ATOM 182 CD1 LEU A 13 9.006 7.271 -6.377 1.00 2.32 C ATOM 183 CD2 LEU A 13 11.445 7.124 -5.646 1.00 74.33 C ATOM 0 H LEU A 13 9.877 3.456 -4.713 1.00 65.15 H new ATOM 0 HA LEU A 13 11.575 5.486 -3.425 1.00 51.14 H new ATOM 0 HB2 LEU A 13 8.653 5.511 -4.320 1.00 75.15 H new ATOM 0 HB3 LEU A 13 9.505 6.887 -3.649 1.00 75.15 H new ATOM 0 HG LEU A 13 10.192 5.497 -6.266 1.00 4.25 H new ATOM 0 HD11 LEU A 13 9.353 7.546 -7.373 1.00 2.32 H new ATOM 0 HD12 LEU A 13 8.079 6.704 -6.460 1.00 2.32 H new ATOM 0 HD13 LEU A 13 8.829 8.174 -5.793 1.00 2.32 H new ATOM 0 HD21 LEU A 13 11.731 7.407 -6.659 1.00 74.33 H new ATOM 0 HD22 LEU A 13 11.373 8.018 -5.026 1.00 74.33 H new ATOM 0 HD23 LEU A 13 12.197 6.454 -5.230 1.00 74.33 H new ATOM 195 N GLU A 14 10.946 4.763 -1.059 1.00 10.33 N ATOM 196 CA GLU A 14 10.480 4.636 0.328 1.00 35.50 C ATOM 197 C GLU A 14 10.295 6.011 0.944 1.00 53.51 C ATOM 198 O GLU A 14 11.072 6.933 0.693 1.00 53.23 O ATOM 199 CB GLU A 14 11.378 3.752 1.225 1.00 44.20 C ATOM 200 CG GLU A 14 12.752 4.315 1.622 1.00 0.30 C ATOM 201 CD GLU A 14 13.449 3.426 2.663 1.00 15.51 C ATOM 202 OE1 GLU A 14 13.144 3.547 3.875 1.00 74.24 O ATOM 203 OE2 GLU A 14 14.283 2.583 2.267 1.00 72.22 O ATOM 0 H GLU A 14 11.957 4.843 -1.167 1.00 10.33 H new ATOM 0 HA GLU A 14 9.523 4.117 0.277 1.00 35.50 H new ATOM 0 HB2 GLU A 14 10.827 3.531 2.139 1.00 44.20 H new ATOM 0 HB3 GLU A 14 11.538 2.804 0.712 1.00 44.20 H new ATOM 0 HG2 GLU A 14 13.381 4.400 0.736 1.00 0.30 H new ATOM 0 HG3 GLU A 14 12.631 5.321 2.024 1.00 0.30 H new ATOM 210 N LEU A 15 9.229 6.146 1.723 1.00 35.15 N ATOM 211 CA LEU A 15 8.966 7.347 2.510 1.00 13.33 C ATOM 212 C LEU A 15 8.577 6.944 3.930 1.00 21.43 C ATOM 213 O LEU A 15 7.661 6.138 4.127 1.00 52.40 O ATOM 214 CB LEU A 15 7.904 8.274 1.807 1.00 64.31 C ATOM 215 CG LEU A 15 6.835 7.590 0.872 1.00 72.13 C ATOM 216 CD1 LEU A 15 5.822 6.722 1.650 1.00 15.21 C ATOM 217 CD2 LEU A 15 6.111 8.638 -0.005 1.00 75.13 C ATOM 0 H LEU A 15 8.518 5.422 1.828 1.00 35.15 H new ATOM 0 HA LEU A 15 9.872 7.950 2.577 1.00 13.33 H new ATOM 0 HB2 LEU A 15 7.369 8.819 2.584 1.00 64.31 H new ATOM 0 HB3 LEU A 15 8.444 9.012 1.214 1.00 64.31 H new ATOM 0 HG LEU A 15 7.385 6.912 0.219 1.00 72.13 H new ATOM 0 HD11 LEU A 15 5.112 6.278 0.952 1.00 15.21 H new ATOM 0 HD12 LEU A 15 6.352 5.931 2.181 1.00 15.21 H new ATOM 0 HD13 LEU A 15 5.286 7.343 2.367 1.00 15.21 H new ATOM 0 HD21 LEU A 15 5.379 8.138 -0.640 1.00 75.13 H new ATOM 0 HD22 LEU A 15 5.603 9.360 0.635 1.00 75.13 H new ATOM 0 HD23 LEU A 15 6.839 9.156 -0.629 1.00 75.13 H new ATOM 229 N THR A 16 9.303 7.499 4.909 1.00 70.04 N ATOM 230 CA THR A 16 9.027 7.278 6.320 1.00 34.30 C ATOM 231 C THR A 16 7.952 8.270 6.726 1.00 53.22 C ATOM 232 O THR A 16 8.224 9.447 6.977 1.00 32.41 O ATOM 233 CB THR A 16 10.289 7.460 7.233 1.00 3.50 C ATOM 234 OG1 THR A 16 11.282 6.480 6.891 1.00 15.30 O ATOM 235 CG2 THR A 16 9.928 7.330 8.734 1.00 44.41 C ATOM 0 H THR A 16 10.098 8.114 4.736 1.00 70.04 H new ATOM 0 HA THR A 16 8.706 6.245 6.455 1.00 34.30 H new ATOM 0 HB THR A 16 10.683 8.462 7.064 1.00 3.50 H new ATOM 0 HG1 THR A 16 12.069 6.599 7.463 1.00 15.30 H new ATOM 0 HG21 THR A 16 10.826 7.462 9.337 1.00 44.41 H new ATOM 0 HG22 THR A 16 9.197 8.094 9.000 1.00 44.41 H new ATOM 0 HG23 THR A 16 9.506 6.343 8.923 1.00 44.41 H new ATOM 243 N VAL A 17 6.713 7.800 6.678 1.00 21.35 N ATOM 244 CA VAL A 17 5.565 8.561 7.129 1.00 25.55 C ATOM 245 C VAL A 17 5.198 8.105 8.539 1.00 64.42 C ATOM 246 O VAL A 17 5.444 6.958 8.914 1.00 13.51 O ATOM 247 CB VAL A 17 4.338 8.396 6.164 1.00 72.13 C ATOM 248 CG1 VAL A 17 4.722 8.752 4.705 1.00 50.14 C ATOM 249 CG2 VAL A 17 3.702 6.988 6.250 1.00 51.51 C ATOM 0 H VAL A 17 6.479 6.873 6.322 1.00 21.35 H new ATOM 0 HA VAL A 17 5.827 9.619 7.132 1.00 25.55 H new ATOM 0 HB VAL A 17 3.578 9.103 6.497 1.00 72.13 H new ATOM 0 HG11 VAL A 17 3.852 8.628 4.059 1.00 50.14 H new ATOM 0 HG12 VAL A 17 5.063 9.786 4.661 1.00 50.14 H new ATOM 0 HG13 VAL A 17 5.521 8.092 4.368 1.00 50.14 H new ATOM 0 HG21 VAL A 17 2.858 6.927 5.563 1.00 51.51 H new ATOM 0 HG22 VAL A 17 4.444 6.236 5.980 1.00 51.51 H new ATOM 0 HG23 VAL A 17 3.355 6.807 7.267 1.00 51.51 H new ATOM 259 N ARG A 18 4.643 9.008 9.330 1.00 13.02 N ATOM 260 CA ARG A 18 3.997 8.642 10.598 1.00 62.54 C ATOM 261 C ARG A 18 2.493 8.509 10.342 1.00 33.41 C ATOM 262 O ARG A 18 1.961 9.223 9.479 1.00 41.34 O ATOM 263 CB ARG A 18 4.349 9.659 11.702 1.00 51.02 C ATOM 264 CG ARG A 18 3.974 11.123 11.438 1.00 61.11 C ATOM 265 CD ARG A 18 4.575 12.075 12.491 1.00 41.01 C ATOM 266 NE ARG A 18 4.327 11.608 13.875 1.00 54.45 N ATOM 267 CZ ARG A 18 4.649 12.273 14.996 1.00 5.42 C ATOM 268 NH1 ARG A 18 5.238 13.470 14.951 1.00 41.40 N ATOM 269 NH2 ARG A 18 4.431 11.690 16.164 1.00 75.24 N ATOM 0 H ARG A 18 4.622 10.007 9.123 1.00 13.02 H new ATOM 0 HA ARG A 18 4.364 7.683 10.964 1.00 62.54 H new ATOM 0 HB2 ARG A 18 3.859 9.344 12.623 1.00 51.02 H new ATOM 0 HB3 ARG A 18 5.423 9.610 11.879 1.00 51.02 H new ATOM 0 HG2 ARG A 18 4.323 11.413 10.447 1.00 61.11 H new ATOM 0 HG3 ARG A 18 2.889 11.224 11.436 1.00 61.11 H new ATOM 0 HD2 ARG A 18 5.649 12.164 12.327 1.00 41.01 H new ATOM 0 HD3 ARG A 18 4.149 13.070 12.364 1.00 41.01 H new ATOM 0 HE ARG A 18 3.872 10.702 13.986 1.00 54.45 H new ATOM 0 HH11 ARG A 18 5.453 13.899 14.051 1.00 41.40 H new ATOM 0 HH12 ARG A 18 5.473 13.956 15.817 1.00 41.40 H new ATOM 0 HH21 ARG A 18 4.026 10.754 16.199 1.00 75.24 H new ATOM 0 HH22 ARG A 18 4.668 12.176 17.029 1.00 75.24 H new ATOM 283 N ASN A 19 1.824 7.584 11.063 1.00 3.13 N ATOM 284 CA ASN A 19 0.468 7.111 10.707 1.00 44.10 C ATOM 285 C ASN A 19 -0.607 8.187 11.023 1.00 42.32 C ATOM 286 O ASN A 19 -1.237 8.185 12.084 1.00 70.33 O ATOM 287 CB ASN A 19 0.158 5.739 11.400 1.00 61.41 C ATOM 288 CG ASN A 19 -0.979 4.936 10.725 1.00 4.21 C ATOM 289 OD1 ASN A 19 -1.905 5.501 10.151 1.00 54.20 O ATOM 290 ND2 ASN A 19 -0.920 3.607 10.791 1.00 31.34 N ATOM 0 H ASN A 19 2.205 7.147 11.902 1.00 3.13 H new ATOM 0 HA ASN A 19 0.435 6.944 9.630 1.00 44.10 H new ATOM 0 HB2 ASN A 19 1.064 5.133 11.404 1.00 61.41 H new ATOM 0 HB3 ASN A 19 -0.108 5.921 12.441 1.00 61.41 H new ATOM 0 HD21 ASN A 19 -1.652 3.042 10.360 1.00 31.34 H new ATOM 0 HD22 ASN A 19 -0.143 3.154 11.272 1.00 31.34 H new ATOM 297 N HIS A 20 -0.724 9.141 10.082 1.00 42.24 N ATOM 298 CA HIS A 20 -1.776 10.183 10.032 1.00 1.01 C ATOM 299 C HIS A 20 -3.051 9.605 9.367 1.00 20.34 C ATOM 300 O HIS A 20 -2.968 8.545 8.731 1.00 62.43 O ATOM 301 CB HIS A 20 -1.267 11.409 9.209 1.00 40.50 C ATOM 302 CG HIS A 20 -0.251 12.270 9.901 1.00 24.53 C ATOM 303 ND1 HIS A 20 -0.590 13.332 10.706 1.00 34.43 N ATOM 304 CD2 HIS A 20 1.095 12.248 9.873 1.00 51.13 C ATOM 305 CE1 HIS A 20 0.501 13.926 11.132 1.00 35.14 C ATOM 306 NE2 HIS A 20 1.542 13.288 10.643 1.00 33.53 N ATOM 0 H HIS A 20 -0.067 9.214 9.305 1.00 42.24 H new ATOM 0 HA HIS A 20 -2.011 10.504 11.047 1.00 1.01 H new ATOM 0 HB2 HIS A 20 -0.836 11.046 8.276 1.00 40.50 H new ATOM 0 HB3 HIS A 20 -2.124 12.029 8.944 1.00 40.50 H new ATOM 0 HD2 HIS A 20 1.710 11.539 9.340 1.00 51.13 H new ATOM 0 HE1 HIS A 20 0.537 14.793 11.776 1.00 35.14 H new ATOM 0 HE2 HIS A 20 2.519 13.528 10.810 1.00 33.53 H new ATOM 315 N PRO A 21 -4.249 10.279 9.513 1.00 2.21 N ATOM 316 CA PRO A 21 -5.503 9.847 8.850 1.00 10.33 C ATOM 317 C PRO A 21 -5.355 9.596 7.327 1.00 33.11 C ATOM 318 O PRO A 21 -5.303 10.542 6.529 1.00 43.45 O ATOM 319 CB PRO A 21 -6.485 11.011 9.150 1.00 4.24 C ATOM 320 CG PRO A 21 -5.999 11.579 10.444 1.00 71.31 C ATOM 321 CD PRO A 21 -4.490 11.472 10.387 1.00 65.14 C ATOM 0 HA PRO A 21 -5.842 8.881 9.225 1.00 10.33 H new ATOM 0 HB2 PRO A 21 -6.470 11.758 8.357 1.00 4.24 H new ATOM 0 HB3 PRO A 21 -7.512 10.654 9.233 1.00 4.24 H new ATOM 0 HG2 PRO A 21 -6.315 12.615 10.562 1.00 71.31 H new ATOM 0 HG3 PRO A 21 -6.401 11.025 11.292 1.00 71.31 H new ATOM 0 HD2 PRO A 21 -4.041 12.372 9.968 1.00 65.14 H new ATOM 0 HD3 PRO A 21 -4.061 11.334 11.379 1.00 65.14 H new ATOM 329 N GLY A 22 -5.240 8.304 6.970 1.00 70.44 N ATOM 330 CA GLY A 22 -5.228 7.846 5.583 1.00 24.31 C ATOM 331 C GLY A 22 -4.048 8.360 4.767 1.00 74.45 C ATOM 332 O GLY A 22 -4.246 8.900 3.675 1.00 1.43 O ATOM 0 H GLY A 22 -5.152 7.547 7.648 1.00 70.44 H new ATOM 0 HA2 GLY A 22 -5.216 6.756 5.572 1.00 24.31 H new ATOM 0 HA3 GLY A 22 -6.154 8.160 5.100 1.00 24.31 H new ATOM 336 N VAL A 23 -2.812 8.189 5.292 1.00 45.01 N ATOM 337 CA VAL A 23 -1.579 8.560 4.549 1.00 61.33 C ATOM 338 C VAL A 23 -1.472 7.755 3.245 1.00 10.44 C ATOM 339 O VAL A 23 -0.983 8.238 2.229 1.00 73.15 O ATOM 340 CB VAL A 23 -0.258 8.317 5.357 1.00 43.21 C ATOM 341 CG1 VAL A 23 0.935 8.967 4.628 1.00 53.22 C ATOM 342 CG2 VAL A 23 -0.359 8.821 6.798 1.00 60.43 C ATOM 0 H VAL A 23 -2.640 7.800 6.219 1.00 45.01 H new ATOM 0 HA VAL A 23 -1.675 9.629 4.357 1.00 61.33 H new ATOM 0 HB VAL A 23 -0.098 7.240 5.412 1.00 43.21 H new ATOM 0 HG11 VAL A 23 1.848 8.793 5.197 1.00 53.22 H new ATOM 0 HG12 VAL A 23 1.037 8.529 3.635 1.00 53.22 H new ATOM 0 HG13 VAL A 23 0.764 10.040 4.536 1.00 53.22 H new ATOM 0 HG21 VAL A 23 0.580 8.630 7.317 1.00 60.43 H new ATOM 0 HG22 VAL A 23 -0.561 9.892 6.796 1.00 60.43 H new ATOM 0 HG23 VAL A 23 -1.168 8.300 7.310 1.00 60.43 H new ATOM 352 N MET A 24 -1.950 6.520 3.321 1.00 63.23 N ATOM 353 CA MET A 24 -1.913 5.554 2.226 1.00 65.04 C ATOM 354 C MET A 24 -2.734 6.068 1.021 1.00 43.44 C ATOM 355 O MET A 24 -2.352 5.867 -0.134 1.00 61.33 O ATOM 356 CB MET A 24 -2.435 4.195 2.748 1.00 45.11 C ATOM 357 CG MET A 24 -1.654 3.628 3.953 1.00 51.21 C ATOM 358 SD MET A 24 -1.808 4.628 5.459 1.00 70.41 S ATOM 359 CE MET A 24 -0.566 3.890 6.519 1.00 71.33 C ATOM 0 H MET A 24 -2.386 6.151 4.166 1.00 63.23 H new ATOM 0 HA MET A 24 -0.890 5.422 1.874 1.00 65.04 H new ATOM 0 HB2 MET A 24 -3.482 4.307 3.030 1.00 45.11 H new ATOM 0 HB3 MET A 24 -2.399 3.470 1.935 1.00 45.11 H new ATOM 0 HG2 MET A 24 -2.007 2.618 4.161 1.00 51.21 H new ATOM 0 HG3 MET A 24 -0.600 3.549 3.687 1.00 51.21 H new ATOM 0 HE1 MET A 24 -0.715 4.229 7.544 1.00 71.33 H new ATOM 0 HE2 MET A 24 -0.652 2.804 6.479 1.00 71.33 H new ATOM 0 HE3 MET A 24 0.426 4.188 6.179 1.00 71.33 H new ATOM 369 N THR A 25 -3.835 6.782 1.320 1.00 32.44 N ATOM 370 CA THR A 25 -4.668 7.453 0.306 1.00 73.11 C ATOM 371 C THR A 25 -3.905 8.646 -0.327 1.00 51.13 C ATOM 372 O THR A 25 -4.040 8.916 -1.527 1.00 72.22 O ATOM 373 CB THR A 25 -6.010 7.951 0.945 1.00 12.05 C ATOM 374 OG1 THR A 25 -6.585 6.898 1.736 1.00 35.02 O ATOM 375 CG2 THR A 25 -7.036 8.390 -0.115 1.00 12.43 C ATOM 0 H THR A 25 -4.172 6.910 2.274 1.00 32.44 H new ATOM 0 HA THR A 25 -4.897 6.732 -0.479 1.00 73.11 H new ATOM 0 HB THR A 25 -5.772 8.817 1.563 1.00 12.05 H new ATOM 0 HG1 THR A 25 -7.423 7.210 2.137 1.00 35.02 H new ATOM 0 HG21 THR A 25 -7.948 8.726 0.379 1.00 12.43 H new ATOM 0 HG22 THR A 25 -6.621 9.206 -0.706 1.00 12.43 H new ATOM 0 HG23 THR A 25 -7.266 7.549 -0.769 1.00 12.43 H new ATOM 383 N HIS A 26 -3.089 9.337 0.507 1.00 52.14 N ATOM 384 CA HIS A 26 -2.292 10.508 0.075 1.00 63.12 C ATOM 385 C HIS A 26 -1.205 10.078 -0.924 1.00 52.11 C ATOM 386 O HIS A 26 -1.139 10.610 -2.036 1.00 34.02 O ATOM 387 CB HIS A 26 -1.625 11.236 1.288 1.00 31.12 C ATOM 388 CG HIS A 26 -2.562 11.642 2.404 1.00 30.22 C ATOM 389 ND1 HIS A 26 -2.126 11.930 3.683 1.00 75.11 N ATOM 390 CD2 HIS A 26 -3.910 11.792 2.440 1.00 41.44 C ATOM 391 CE1 HIS A 26 -3.159 12.226 4.445 1.00 20.55 C ATOM 392 NE2 HIS A 26 -4.249 12.151 3.718 1.00 1.44 N ATOM 0 H HIS A 26 -2.966 9.099 1.491 1.00 52.14 H new ATOM 0 HA HIS A 26 -2.978 11.205 -0.406 1.00 63.12 H new ATOM 0 HB2 HIS A 26 -0.857 10.583 1.703 1.00 31.12 H new ATOM 0 HB3 HIS A 26 -1.120 12.129 0.920 1.00 31.12 H new ATOM 0 HD2 HIS A 26 -4.591 11.654 1.613 1.00 41.44 H new ATOM 0 HE1 HIS A 26 -3.116 12.487 5.492 1.00 20.55 H new ATOM 0 HE2 HIS A 26 -5.196 12.331 4.051 1.00 1.44 H new ATOM 401 N VAL A 27 -0.380 9.078 -0.522 1.00 34.30 N ATOM 402 CA VAL A 27 0.772 8.618 -1.322 1.00 15.21 C ATOM 403 C VAL A 27 0.296 8.107 -2.700 1.00 14.55 C ATOM 404 O VAL A 27 0.782 8.564 -3.753 1.00 61.01 O ATOM 405 CB VAL A 27 1.652 7.530 -0.555 1.00 41.10 C ATOM 406 CG1 VAL A 27 2.112 8.051 0.833 1.00 33.44 C ATOM 407 CG2 VAL A 27 0.940 6.163 -0.400 1.00 42.40 C ATOM 0 H VAL A 27 -0.497 8.575 0.358 1.00 34.30 H new ATOM 0 HA VAL A 27 1.428 9.474 -1.482 1.00 15.21 H new ATOM 0 HB VAL A 27 2.527 7.365 -1.184 1.00 41.10 H new ATOM 0 HG11 VAL A 27 2.709 7.286 1.329 1.00 33.44 H new ATOM 0 HG12 VAL A 27 2.712 8.952 0.703 1.00 33.44 H new ATOM 0 HG13 VAL A 27 1.238 8.282 1.443 1.00 33.44 H new ATOM 0 HG21 VAL A 27 1.594 5.470 0.130 1.00 42.40 H new ATOM 0 HG22 VAL A 27 0.017 6.295 0.165 1.00 42.40 H new ATOM 0 HG23 VAL A 27 0.707 5.760 -1.386 1.00 42.40 H new ATOM 417 N CYS A 28 -0.747 7.259 -2.674 1.00 1.51 N ATOM 418 CA CYS A 28 -1.331 6.652 -3.868 1.00 54.31 C ATOM 419 C CYS A 28 -1.979 7.713 -4.778 1.00 72.04 C ATOM 420 O CYS A 28 -2.003 7.544 -5.999 1.00 73.14 O ATOM 421 CB CYS A 28 -2.340 5.586 -3.427 1.00 60.35 C ATOM 422 SG CYS A 28 -1.600 4.281 -2.419 1.00 70.41 S ATOM 0 H CYS A 28 -1.209 6.977 -1.809 1.00 1.51 H new ATOM 0 HA CYS A 28 -0.547 6.181 -4.461 1.00 54.31 H new ATOM 0 HB2 CYS A 28 -3.140 6.064 -2.861 1.00 60.35 H new ATOM 0 HB3 CYS A 28 -2.797 5.139 -4.310 1.00 60.35 H new ATOM 0 HG CYS A 28 -1.672 4.609 -1.163 1.00 70.41 H new ATOM 428 N GLY A 29 -2.466 8.814 -4.161 1.00 43.34 N ATOM 429 CA GLY A 29 -2.999 9.965 -4.892 1.00 55.02 C ATOM 430 C GLY A 29 -1.941 10.657 -5.751 1.00 31.15 C ATOM 431 O GLY A 29 -2.219 11.029 -6.898 1.00 53.23 O ATOM 0 H GLY A 29 -2.496 8.920 -3.147 1.00 43.34 H new ATOM 0 HA2 GLY A 29 -3.821 9.638 -5.528 1.00 55.02 H new ATOM 0 HA3 GLY A 29 -3.411 10.682 -4.182 1.00 55.02 H new ATOM 435 N LEU A 30 -0.715 10.804 -5.196 1.00 1.30 N ATOM 436 CA LEU A 30 0.423 11.452 -5.894 1.00 34.11 C ATOM 437 C LEU A 30 0.882 10.637 -7.127 1.00 32.10 C ATOM 438 O LEU A 30 1.222 11.215 -8.166 1.00 55.31 O ATOM 439 CB LEU A 30 1.625 11.711 -4.924 1.00 30.33 C ATOM 440 CG LEU A 30 1.589 13.047 -4.101 1.00 62.30 C ATOM 441 CD1 LEU A 30 1.497 14.281 -5.024 1.00 5.40 C ATOM 442 CD2 LEU A 30 0.469 13.064 -3.041 1.00 55.21 C ATOM 0 H LEU A 30 -0.486 10.479 -4.257 1.00 1.30 H new ATOM 0 HA LEU A 30 0.063 12.418 -6.249 1.00 34.11 H new ATOM 0 HB2 LEU A 30 1.681 10.880 -4.221 1.00 30.33 H new ATOM 0 HB3 LEU A 30 2.544 11.696 -5.509 1.00 30.33 H new ATOM 0 HG LEU A 30 2.535 13.098 -3.562 1.00 62.30 H new ATOM 0 HD11 LEU A 30 1.474 15.187 -4.419 1.00 5.40 H new ATOM 0 HD12 LEU A 30 2.364 14.307 -5.684 1.00 5.40 H new ATOM 0 HD13 LEU A 30 0.588 14.221 -5.622 1.00 5.40 H new ATOM 0 HD21 LEU A 30 0.492 14.012 -2.503 1.00 55.21 H new ATOM 0 HD22 LEU A 30 -0.498 12.948 -3.531 1.00 55.21 H new ATOM 0 HD23 LEU A 30 0.620 12.244 -2.339 1.00 55.21 H new ATOM 454 N PHE A 31 0.899 9.303 -7.007 1.00 63.42 N ATOM 455 CA PHE A 31 1.325 8.419 -8.127 1.00 32.42 C ATOM 456 C PHE A 31 0.226 8.273 -9.199 1.00 34.31 C ATOM 457 O PHE A 31 0.524 8.224 -10.402 1.00 31.21 O ATOM 458 CB PHE A 31 1.773 7.044 -7.583 1.00 32.21 C ATOM 459 CG PHE A 31 2.977 7.161 -6.644 1.00 13.13 C ATOM 460 CD1 PHE A 31 4.253 7.395 -7.150 1.00 30.31 C ATOM 461 CD2 PHE A 31 2.832 7.074 -5.262 1.00 62.02 C ATOM 462 CE1 PHE A 31 5.338 7.537 -6.302 1.00 34.31 C ATOM 463 CE2 PHE A 31 3.916 7.226 -4.418 1.00 34.10 C ATOM 464 CZ PHE A 31 5.171 7.450 -4.939 1.00 53.22 C ATOM 0 H PHE A 31 0.628 8.805 -6.159 1.00 63.42 H new ATOM 0 HA PHE A 31 2.177 8.889 -8.619 1.00 32.42 H new ATOM 0 HB2 PHE A 31 0.944 6.577 -7.052 1.00 32.21 H new ATOM 0 HB3 PHE A 31 2.026 6.390 -8.417 1.00 32.21 H new ATOM 0 HD1 PHE A 31 4.398 7.467 -8.218 1.00 30.31 H new ATOM 0 HD2 PHE A 31 1.855 6.884 -4.842 1.00 62.02 H new ATOM 0 HE1 PHE A 31 6.321 7.717 -6.712 1.00 34.31 H new ATOM 0 HE2 PHE A 31 3.779 7.169 -3.348 1.00 34.10 H new ATOM 0 HZ PHE A 31 6.020 7.557 -4.281 1.00 53.22 H new ATOM 474 N ALA A 32 -1.040 8.245 -8.752 1.00 4.41 N ATOM 475 CA ALA A 32 -2.214 8.073 -9.637 1.00 32.40 C ATOM 476 C ALA A 32 -2.426 9.286 -10.562 1.00 44.15 C ATOM 477 O ALA A 32 -2.761 9.122 -11.744 1.00 22.35 O ATOM 478 CB ALA A 32 -3.473 7.839 -8.792 1.00 14.23 C ATOM 0 H ALA A 32 -1.283 8.341 -7.766 1.00 4.41 H new ATOM 0 HA ALA A 32 -2.023 7.206 -10.269 1.00 32.40 H new ATOM 0 HB1 ALA A 32 -4.334 7.713 -9.449 1.00 14.23 H new ATOM 0 HB2 ALA A 32 -3.344 6.941 -8.187 1.00 14.23 H new ATOM 0 HB3 ALA A 32 -3.637 8.696 -8.139 1.00 14.23 H new ATOM 484 N ARG A 33 -2.197 10.498 -10.015 1.00 24.33 N ATOM 485 CA ARG A 33 -2.483 11.775 -10.715 1.00 62.35 C ATOM 486 C ARG A 33 -1.519 12.049 -11.885 1.00 30.04 C ATOM 487 O ARG A 33 -1.711 13.013 -12.626 1.00 21.44 O ATOM 488 CB ARG A 33 -2.460 12.951 -9.706 1.00 45.51 C ATOM 489 CG ARG A 33 -1.079 13.237 -9.077 1.00 62.34 C ATOM 490 CD ARG A 33 -1.134 14.348 -8.020 1.00 53.13 C ATOM 491 NE ARG A 33 -1.530 15.637 -8.607 1.00 70.14 N ATOM 492 CZ ARG A 33 -2.170 16.629 -7.962 1.00 23.32 C ATOM 493 NH1 ARG A 33 -2.496 16.506 -6.679 1.00 11.43 N ATOM 494 NH2 ARG A 33 -2.472 17.741 -8.618 1.00 75.32 N ATOM 0 H ARG A 33 -1.810 10.623 -9.079 1.00 24.33 H new ATOM 0 HA ARG A 33 -3.479 11.684 -11.149 1.00 62.35 H new ATOM 0 HB2 ARG A 33 -2.807 13.852 -10.212 1.00 45.51 H new ATOM 0 HB3 ARG A 33 -3.171 12.740 -8.907 1.00 45.51 H new ATOM 0 HG2 ARG A 33 -0.695 12.325 -8.621 1.00 62.34 H new ATOM 0 HG3 ARG A 33 -0.378 13.521 -9.862 1.00 62.34 H new ATOM 0 HD2 ARG A 33 -1.841 14.072 -7.238 1.00 53.13 H new ATOM 0 HD3 ARG A 33 -0.158 14.448 -7.546 1.00 53.13 H new ATOM 0 HE ARG A 33 -1.299 15.792 -9.588 1.00 70.14 H new ATOM 0 HH11 ARG A 33 -2.261 15.652 -6.173 1.00 11.43 H new ATOM 0 HH12 ARG A 33 -2.981 17.265 -6.201 1.00 11.43 H new ATOM 0 HH21 ARG A 33 -2.219 17.838 -9.601 1.00 75.32 H new ATOM 0 HH22 ARG A 33 -2.957 18.500 -8.139 1.00 75.32 H new ATOM 508 N ARG A 34 -0.480 11.212 -12.029 1.00 62.33 N ATOM 509 CA ARG A 34 0.420 11.239 -13.185 1.00 53.43 C ATOM 510 C ARG A 34 -0.305 10.604 -14.388 1.00 32.13 C ATOM 511 O ARG A 34 -0.798 11.312 -15.271 1.00 24.44 O ATOM 512 CB ARG A 34 1.724 10.470 -12.837 1.00 51.11 C ATOM 513 CG ARG A 34 2.696 10.215 -14.022 1.00 72.11 C ATOM 514 CD ARG A 34 3.762 9.176 -13.652 1.00 73.14 C ATOM 515 NE ARG A 34 4.599 8.759 -14.789 1.00 31.32 N ATOM 516 CZ ARG A 34 5.199 7.562 -14.887 1.00 12.44 C ATOM 517 NH1 ARG A 34 5.044 6.648 -13.931 1.00 1.01 N ATOM 518 NH2 ARG A 34 5.983 7.302 -15.924 1.00 43.41 N ATOM 0 H ARG A 34 -0.242 10.496 -11.343 1.00 62.33 H new ATOM 0 HA ARG A 34 0.691 12.263 -13.442 1.00 53.43 H new ATOM 0 HB2 ARG A 34 2.258 11.028 -12.068 1.00 51.11 H new ATOM 0 HB3 ARG A 34 1.451 9.508 -12.402 1.00 51.11 H new ATOM 0 HG2 ARG A 34 2.133 9.869 -14.889 1.00 72.11 H new ATOM 0 HG3 ARG A 34 3.179 11.150 -14.307 1.00 72.11 H new ATOM 0 HD2 ARG A 34 4.403 9.587 -12.872 1.00 73.14 H new ATOM 0 HD3 ARG A 34 3.271 8.298 -13.232 1.00 73.14 H new ATOM 0 HE ARG A 34 4.732 9.423 -15.552 1.00 31.32 H new ATOM 0 HH11 ARG A 34 4.466 6.855 -13.117 1.00 1.01 H new ATOM 0 HH12 ARG A 34 5.503 5.741 -14.013 1.00 1.01 H new ATOM 0 HH21 ARG A 34 6.128 8.010 -16.644 1.00 43.41 H new ATOM 0 HH22 ARG A 34 6.441 6.394 -16.002 1.00 43.41 H new ATOM 532 N ALA A 35 -0.406 9.262 -14.351 1.00 35.52 N ATOM 533 CA ALA A 35 -0.973 8.436 -15.429 1.00 72.24 C ATOM 534 C ALA A 35 -0.832 6.968 -15.037 1.00 54.01 C ATOM 535 O ALA A 35 -1.816 6.221 -14.969 1.00 41.25 O ATOM 536 CB ALA A 35 -0.283 8.698 -16.786 1.00 64.33 C ATOM 0 H ALA A 35 -0.088 8.712 -13.553 1.00 35.52 H new ATOM 0 HA ALA A 35 -2.023 8.699 -15.555 1.00 72.24 H new ATOM 0 HB1 ALA A 35 -0.734 8.067 -17.551 1.00 64.33 H new ATOM 0 HB2 ALA A 35 -0.406 9.746 -17.061 1.00 64.33 H new ATOM 0 HB3 ALA A 35 0.779 8.467 -16.705 1.00 64.33 H new ATOM 542 N PHE A 36 0.427 6.569 -14.772 1.00 44.22 N ATOM 543 CA PHE A 36 0.771 5.195 -14.390 1.00 50.20 C ATOM 544 C PHE A 36 0.669 5.042 -12.867 1.00 5.50 C ATOM 545 O PHE A 36 1.135 5.902 -12.111 1.00 23.11 O ATOM 546 CB PHE A 36 2.196 4.818 -14.885 1.00 22.20 C ATOM 547 CG PHE A 36 2.639 3.391 -14.522 1.00 61.14 C ATOM 548 CD1 PHE A 36 1.868 2.279 -14.890 1.00 75.34 C ATOM 549 CD2 PHE A 36 3.811 3.159 -13.804 1.00 11.03 C ATOM 550 CE1 PHE A 36 2.264 0.994 -14.551 1.00 31.51 C ATOM 551 CE2 PHE A 36 4.205 1.876 -13.466 1.00 1.42 C ATOM 552 CZ PHE A 36 3.433 0.794 -13.839 1.00 2.22 C ATOM 0 H PHE A 36 1.231 7.194 -14.818 1.00 44.22 H new ATOM 0 HA PHE A 36 0.065 4.513 -14.865 1.00 50.20 H new ATOM 0 HB2 PHE A 36 2.233 4.932 -15.968 1.00 22.20 H new ATOM 0 HB3 PHE A 36 2.912 5.525 -14.466 1.00 22.20 H new ATOM 0 HD1 PHE A 36 0.953 2.425 -15.445 1.00 75.34 H new ATOM 0 HD2 PHE A 36 4.424 3.997 -13.506 1.00 11.03 H new ATOM 0 HE1 PHE A 36 1.659 0.148 -14.843 1.00 31.51 H new ATOM 0 HE2 PHE A 36 5.118 1.721 -12.910 1.00 1.42 H new ATOM 0 HZ PHE A 36 3.741 -0.207 -13.575 1.00 2.22 H new ATOM 562 N ASN A 37 0.076 3.921 -12.452 1.00 13.10 N ATOM 563 CA ASN A 37 -0.167 3.584 -11.043 1.00 31.11 C ATOM 564 C ASN A 37 1.062 2.879 -10.448 1.00 55.35 C ATOM 565 O ASN A 37 2.027 2.582 -11.163 1.00 15.03 O ATOM 566 CB ASN A 37 -1.399 2.646 -10.965 1.00 5.03 C ATOM 567 CG ASN A 37 -2.632 3.209 -11.678 1.00 3.35 C ATOM 568 OD1 ASN A 37 -2.922 4.406 -11.612 1.00 12.04 O ATOM 569 ND2 ASN A 37 -3.349 2.356 -12.392 1.00 32.24 N ATOM 0 H ASN A 37 -0.257 3.205 -13.098 1.00 13.10 H new ATOM 0 HA ASN A 37 -0.353 4.495 -10.474 1.00 31.11 H new ATOM 0 HB2 ASN A 37 -1.142 1.682 -11.404 1.00 5.03 H new ATOM 0 HB3 ASN A 37 -1.644 2.465 -9.918 1.00 5.03 H new ATOM 0 HD21 ASN A 37 -4.166 2.683 -12.907 1.00 32.24 H new ATOM 0 HD22 ASN A 37 -3.084 1.372 -12.427 1.00 32.24 H new ATOM 576 N VAL A 38 1.020 2.611 -9.137 1.00 42.53 N ATOM 577 CA VAL A 38 2.025 1.768 -8.469 1.00 41.24 C ATOM 578 C VAL A 38 1.709 0.295 -8.770 1.00 61.23 C ATOM 579 O VAL A 38 0.538 -0.090 -8.802 1.00 42.00 O ATOM 580 CB VAL A 38 2.061 2.003 -6.910 1.00 11.10 C ATOM 581 CG1 VAL A 38 3.243 1.250 -6.261 1.00 12.32 C ATOM 582 CG2 VAL A 38 2.127 3.508 -6.570 1.00 53.33 C ATOM 0 H VAL A 38 0.297 2.967 -8.513 1.00 42.53 H new ATOM 0 HA VAL A 38 3.009 2.037 -8.854 1.00 41.24 H new ATOM 0 HB VAL A 38 1.134 1.604 -6.499 1.00 11.10 H new ATOM 0 HG11 VAL A 38 3.243 1.430 -5.186 1.00 12.32 H new ATOM 0 HG12 VAL A 38 3.141 0.181 -6.450 1.00 12.32 H new ATOM 0 HG13 VAL A 38 4.180 1.606 -6.689 1.00 12.32 H new ATOM 0 HG21 VAL A 38 2.151 3.636 -5.488 1.00 53.33 H new ATOM 0 HG22 VAL A 38 3.027 3.940 -7.006 1.00 53.33 H new ATOM 0 HG23 VAL A 38 1.250 4.012 -6.976 1.00 53.33 H new ATOM 592 N GLU A 39 2.744 -0.510 -9.024 1.00 34.11 N ATOM 593 CA GLU A 39 2.587 -1.935 -9.333 1.00 20.30 C ATOM 594 C GLU A 39 2.768 -2.778 -8.059 1.00 3.32 C ATOM 595 O GLU A 39 2.021 -3.739 -7.821 1.00 41.35 O ATOM 596 CB GLU A 39 3.597 -2.350 -10.436 1.00 51.53 C ATOM 597 CG GLU A 39 3.319 -3.729 -11.067 1.00 31.12 C ATOM 598 CD GLU A 39 1.901 -3.819 -11.674 1.00 55.11 C ATOM 599 OE1 GLU A 39 1.695 -3.316 -12.803 1.00 31.32 O ATOM 600 OE2 GLU A 39 0.990 -4.382 -11.031 1.00 72.11 O ATOM 0 H GLU A 39 3.714 -0.193 -9.021 1.00 34.11 H new ATOM 0 HA GLU A 39 1.580 -2.115 -9.710 1.00 20.30 H new ATOM 0 HB2 GLU A 39 3.588 -1.595 -11.223 1.00 51.53 H new ATOM 0 HB3 GLU A 39 4.600 -2.354 -10.010 1.00 51.53 H new ATOM 0 HG2 GLU A 39 4.058 -3.927 -11.844 1.00 31.12 H new ATOM 0 HG3 GLU A 39 3.438 -4.504 -10.309 1.00 31.12 H new ATOM 607 N GLY A 40 3.761 -2.395 -7.230 1.00 65.31 N ATOM 608 CA GLY A 40 4.055 -3.128 -5.984 1.00 23.52 C ATOM 609 C GLY A 40 4.248 -2.194 -4.805 1.00 64.51 C ATOM 610 O GLY A 40 4.855 -1.147 -4.952 1.00 71.55 O ATOM 0 H GLY A 40 4.366 -1.591 -7.399 1.00 65.31 H new ATOM 0 HA2 GLY A 40 3.240 -3.819 -5.769 1.00 23.52 H new ATOM 0 HA3 GLY A 40 4.954 -3.729 -6.121 1.00 23.52 H new ATOM 614 N ILE A 41 3.729 -2.564 -3.628 1.00 2.10 N ATOM 615 CA ILE A 41 3.812 -1.736 -2.401 1.00 23.31 C ATOM 616 C ILE A 41 4.315 -2.603 -1.240 1.00 75.12 C ATOM 617 O ILE A 41 3.972 -3.789 -1.148 1.00 54.13 O ATOM 618 CB ILE A 41 2.409 -1.110 -2.013 1.00 74.41 C ATOM 619 CG1 ILE A 41 1.855 -0.208 -3.157 1.00 53.24 C ATOM 620 CG2 ILE A 41 2.463 -0.330 -0.677 1.00 64.23 C ATOM 621 CD1 ILE A 41 0.511 0.437 -2.866 1.00 61.24 C ATOM 0 H ILE A 41 3.237 -3.447 -3.491 1.00 2.10 H new ATOM 0 HA ILE A 41 4.503 -0.916 -2.597 1.00 23.31 H new ATOM 0 HB ILE A 41 1.723 -1.945 -1.872 1.00 74.41 H new ATOM 0 HG12 ILE A 41 2.581 0.577 -3.365 1.00 53.24 H new ATOM 0 HG13 ILE A 41 1.766 -0.808 -4.063 1.00 53.24 H new ATOM 0 HG21 ILE A 41 1.478 0.080 -0.455 1.00 64.23 H new ATOM 0 HG22 ILE A 41 2.765 -1.003 0.125 1.00 64.23 H new ATOM 0 HG23 ILE A 41 3.184 0.483 -0.759 1.00 64.23 H new ATOM 0 HD11 ILE A 41 0.207 1.045 -3.718 1.00 61.24 H new ATOM 0 HD12 ILE A 41 -0.234 -0.339 -2.689 1.00 61.24 H new ATOM 0 HD13 ILE A 41 0.594 1.068 -1.981 1.00 61.24 H new ATOM 633 N LEU A 42 5.108 -1.999 -0.348 1.00 64.15 N ATOM 634 CA LEU A 42 5.572 -2.649 0.872 1.00 34.32 C ATOM 635 C LEU A 42 5.584 -1.619 2.012 1.00 42.45 C ATOM 636 O LEU A 42 6.518 -0.841 2.146 1.00 73.35 O ATOM 637 CB LEU A 42 6.969 -3.293 0.637 1.00 31.15 C ATOM 638 CG LEU A 42 7.590 -4.076 1.842 1.00 50.21 C ATOM 639 CD1 LEU A 42 6.577 -5.062 2.452 1.00 11.34 C ATOM 640 CD2 LEU A 42 8.877 -4.809 1.411 1.00 24.31 C ATOM 0 H LEU A 42 5.444 -1.042 -0.457 1.00 64.15 H new ATOM 0 HA LEU A 42 4.897 -3.457 1.155 1.00 34.32 H new ATOM 0 HB2 LEU A 42 6.892 -3.975 -0.210 1.00 31.15 H new ATOM 0 HB3 LEU A 42 7.664 -2.504 0.348 1.00 31.15 H new ATOM 0 HG LEU A 42 7.850 -3.350 2.612 1.00 50.21 H new ATOM 0 HD11 LEU A 42 7.040 -5.589 3.286 1.00 11.34 H new ATOM 0 HD12 LEU A 42 5.705 -4.514 2.808 1.00 11.34 H new ATOM 0 HD13 LEU A 42 6.268 -5.782 1.694 1.00 11.34 H new ATOM 0 HD21 LEU A 42 9.292 -5.347 2.263 1.00 24.31 H new ATOM 0 HD22 LEU A 42 8.644 -5.516 0.615 1.00 24.31 H new ATOM 0 HD23 LEU A 42 9.606 -4.083 1.050 1.00 24.31 H new ATOM 652 N CYS A 43 4.491 -1.570 2.784 1.00 3.03 N ATOM 653 CA CYS A 43 4.388 -0.716 3.977 1.00 33.52 C ATOM 654 C CYS A 43 4.856 -1.510 5.193 1.00 24.42 C ATOM 655 O CYS A 43 4.145 -2.407 5.667 1.00 63.12 O ATOM 656 CB CYS A 43 2.939 -0.230 4.163 1.00 34.13 C ATOM 657 SG CYS A 43 2.646 0.823 5.601 1.00 74.31 S ATOM 0 H CYS A 43 3.652 -2.121 2.600 1.00 3.03 H new ATOM 0 HA CYS A 43 5.020 0.164 3.858 1.00 33.52 H new ATOM 0 HB2 CYS A 43 2.641 0.317 3.268 1.00 34.13 H new ATOM 0 HB3 CYS A 43 2.289 -1.102 4.235 1.00 34.13 H new ATOM 0 HG CYS A 43 2.748 0.114 6.686 1.00 74.31 H new ATOM 663 N LEU A 44 6.079 -1.212 5.646 1.00 51.22 N ATOM 664 CA LEU A 44 6.723 -1.891 6.775 1.00 22.52 C ATOM 665 C LEU A 44 6.593 -0.983 8.017 1.00 32.22 C ATOM 666 O LEU A 44 7.274 0.061 8.084 1.00 53.24 O ATOM 667 CB LEU A 44 8.211 -2.165 6.422 1.00 35.44 C ATOM 668 CG LEU A 44 8.943 -3.296 7.204 1.00 40.22 C ATOM 669 CD1 LEU A 44 8.338 -4.682 6.881 1.00 54.20 C ATOM 670 CD2 LEU A 44 10.461 -3.273 6.904 1.00 25.04 C ATOM 0 H LEU A 44 6.658 -0.481 5.232 1.00 51.22 H new ATOM 0 HA LEU A 44 6.247 -2.849 6.986 1.00 22.52 H new ATOM 0 HB2 LEU A 44 8.266 -2.402 5.359 1.00 35.44 H new ATOM 0 HB3 LEU A 44 8.767 -1.240 6.571 1.00 35.44 H new ATOM 0 HG LEU A 44 8.802 -3.113 8.269 1.00 40.22 H new ATOM 0 HD11 LEU A 44 8.870 -5.451 7.442 1.00 54.20 H new ATOM 0 HD12 LEU A 44 7.284 -4.693 7.160 1.00 54.20 H new ATOM 0 HD13 LEU A 44 8.433 -4.881 5.813 1.00 54.20 H new ATOM 0 HD21 LEU A 44 10.954 -4.071 7.460 1.00 25.04 H new ATOM 0 HD22 LEU A 44 10.623 -3.421 5.836 1.00 25.04 H new ATOM 0 HD23 LEU A 44 10.877 -2.311 7.204 1.00 25.04 H new ATOM 682 N PRO A 45 5.668 -1.309 8.977 1.00 1.41 N ATOM 683 CA PRO A 45 5.447 -0.479 10.179 1.00 32.35 C ATOM 684 C PRO A 45 6.633 -0.564 11.165 1.00 65.13 C ATOM 685 O PRO A 45 7.010 -1.657 11.602 1.00 11.02 O ATOM 686 CB PRO A 45 4.140 -1.057 10.784 1.00 3.03 C ATOM 687 CG PRO A 45 4.094 -2.485 10.318 1.00 4.32 C ATOM 688 CD PRO A 45 4.765 -2.500 8.957 1.00 75.22 C ATOM 0 HA PRO A 45 5.366 0.583 9.949 1.00 32.35 H new ATOM 0 HB2 PRO A 45 4.149 -0.997 11.872 1.00 3.03 H new ATOM 0 HB3 PRO A 45 3.267 -0.502 10.441 1.00 3.03 H new ATOM 0 HG2 PRO A 45 4.613 -3.141 11.017 1.00 4.32 H new ATOM 0 HG3 PRO A 45 3.066 -2.841 10.251 1.00 4.32 H new ATOM 0 HD2 PRO A 45 5.326 -3.422 8.800 1.00 75.22 H new ATOM 0 HD3 PRO A 45 4.033 -2.431 8.152 1.00 75.22 H new ATOM 696 N ILE A 46 7.225 0.600 11.469 1.00 45.32 N ATOM 697 CA ILE A 46 8.284 0.733 12.476 1.00 45.42 C ATOM 698 C ILE A 46 7.682 0.455 13.871 1.00 0.14 C ATOM 699 O ILE A 46 6.753 1.154 14.288 1.00 13.52 O ATOM 700 CB ILE A 46 8.902 2.182 12.455 1.00 33.43 C ATOM 701 CG1 ILE A 46 9.401 2.591 11.025 1.00 22.10 C ATOM 702 CG2 ILE A 46 10.029 2.341 13.499 1.00 10.42 C ATOM 703 CD1 ILE A 46 10.597 1.829 10.494 1.00 25.31 C ATOM 0 H ILE A 46 6.979 1.482 11.019 1.00 45.32 H new ATOM 0 HA ILE A 46 9.076 0.018 12.252 1.00 45.42 H new ATOM 0 HB ILE A 46 8.097 2.865 12.728 1.00 33.43 H new ATOM 0 HG12 ILE A 46 8.575 2.465 10.324 1.00 22.10 H new ATOM 0 HG13 ILE A 46 9.649 3.652 11.039 1.00 22.10 H new ATOM 0 HG21 ILE A 46 10.428 3.354 13.452 1.00 10.42 H new ATOM 0 HG22 ILE A 46 9.630 2.154 14.496 1.00 10.42 H new ATOM 0 HG23 ILE A 46 10.825 1.627 13.287 1.00 10.42 H new ATOM 0 HD11 ILE A 46 10.851 2.197 9.500 1.00 25.31 H new ATOM 0 HD12 ILE A 46 11.446 1.973 11.162 1.00 25.31 H new ATOM 0 HD13 ILE A 46 10.356 0.767 10.437 1.00 25.31 H new ATOM 715 N GLN A 47 8.197 -0.566 14.571 1.00 2.04 N ATOM 716 CA GLN A 47 7.696 -0.940 15.916 1.00 73.43 C ATOM 717 C GLN A 47 8.216 0.033 16.986 1.00 35.42 C ATOM 718 O GLN A 47 7.607 0.177 18.050 1.00 71.43 O ATOM 719 CB GLN A 47 8.097 -2.396 16.269 1.00 31.25 C ATOM 720 CG GLN A 47 9.613 -2.642 16.400 1.00 14.24 C ATOM 721 CD GLN A 47 9.974 -4.122 16.553 1.00 62.11 C ATOM 722 OE1 GLN A 47 10.075 -4.638 17.668 1.00 41.35 O ATOM 723 NE2 GLN A 47 10.150 -4.817 15.439 1.00 45.05 N ATOM 0 H GLN A 47 8.961 -1.152 14.234 1.00 2.04 H new ATOM 0 HA GLN A 47 6.608 -0.878 15.896 1.00 73.43 H new ATOM 0 HB2 GLN A 47 7.617 -2.671 17.208 1.00 31.25 H new ATOM 0 HB3 GLN A 47 7.701 -3.062 15.502 1.00 31.25 H new ATOM 0 HG2 GLN A 47 10.117 -2.241 15.520 1.00 14.24 H new ATOM 0 HG3 GLN A 47 9.990 -2.092 17.262 1.00 14.24 H new ATOM 0 HE21 GLN A 47 10.059 -4.359 14.532 1.00 45.05 H new ATOM 0 HE22 GLN A 47 10.376 -5.810 15.488 1.00 45.05 H new ATOM 732 N ASP A 48 9.345 0.696 16.676 1.00 75.42 N ATOM 733 CA ASP A 48 10.046 1.596 17.606 1.00 11.31 C ATOM 734 C ASP A 48 9.192 2.826 17.985 1.00 44.25 C ATOM 735 O ASP A 48 9.172 3.240 19.142 1.00 44.23 O ATOM 736 CB ASP A 48 11.391 2.041 16.972 1.00 50.13 C ATOM 737 CG ASP A 48 12.180 3.047 17.833 1.00 2.32 C ATOM 738 OD1 ASP A 48 12.835 2.621 18.810 1.00 31.31 O ATOM 739 OD2 ASP A 48 12.158 4.265 17.527 1.00 25.23 O ATOM 0 H ASP A 48 9.799 0.621 15.766 1.00 75.42 H new ATOM 0 HA ASP A 48 10.235 1.048 18.529 1.00 11.31 H new ATOM 0 HB2 ASP A 48 12.010 1.160 16.799 1.00 50.13 H new ATOM 0 HB3 ASP A 48 11.193 2.487 15.998 1.00 50.13 H new ATOM 744 N SER A 49 8.483 3.391 16.993 1.00 62.10 N ATOM 745 CA SER A 49 7.671 4.622 17.160 1.00 3.01 C ATOM 746 C SER A 49 6.450 4.568 16.225 1.00 52.32 C ATOM 747 O SER A 49 6.269 3.581 15.502 1.00 34.21 O ATOM 748 CB SER A 49 8.538 5.874 16.858 1.00 65.34 C ATOM 749 OG SER A 49 9.664 5.955 17.722 1.00 74.04 O ATOM 0 H SER A 49 8.453 3.010 16.047 1.00 62.10 H new ATOM 0 HA SER A 49 7.320 4.687 18.190 1.00 3.01 H new ATOM 0 HB2 SER A 49 8.876 5.841 15.822 1.00 65.34 H new ATOM 0 HB3 SER A 49 7.930 6.772 16.967 1.00 65.34 H new ATOM 0 HG SER A 49 10.337 5.298 17.445 1.00 74.04 H new ATOM 755 N ASP A 50 5.601 5.623 16.243 1.00 21.31 N ATOM 756 CA ASP A 50 4.485 5.749 15.290 1.00 41.42 C ATOM 757 C ASP A 50 5.051 6.198 13.925 1.00 74.14 C ATOM 758 O ASP A 50 5.039 7.364 13.563 1.00 43.43 O ATOM 759 CB ASP A 50 3.364 6.704 15.835 1.00 64.13 C ATOM 760 CG ASP A 50 3.792 8.181 16.020 1.00 74.44 C ATOM 761 OD1 ASP A 50 4.586 8.468 16.941 1.00 62.20 O ATOM 762 OD2 ASP A 50 3.331 9.059 15.248 1.00 74.15 O ATOM 0 H ASP A 50 5.672 6.394 16.907 1.00 21.31 H new ATOM 0 HA ASP A 50 3.998 4.783 15.159 1.00 41.42 H new ATOM 0 HB2 ASP A 50 2.516 6.671 15.151 1.00 64.13 H new ATOM 0 HB3 ASP A 50 3.016 6.320 16.794 1.00 64.13 H new ATOM 767 N LYS A 51 5.634 5.233 13.208 1.00 43.32 N ATOM 768 CA LYS A 51 6.302 5.451 11.909 1.00 14.31 C ATOM 769 C LYS A 51 6.073 4.210 11.027 1.00 31.12 C ATOM 770 O LYS A 51 5.766 3.120 11.535 1.00 11.12 O ATOM 771 CB LYS A 51 7.840 5.708 12.081 1.00 62.12 C ATOM 772 CG LYS A 51 8.251 6.962 12.890 1.00 71.02 C ATOM 773 CD LYS A 51 7.880 8.283 12.181 1.00 71.31 C ATOM 774 CE LYS A 51 8.171 9.521 13.047 1.00 41.31 C ATOM 775 NZ LYS A 51 9.613 9.649 13.386 1.00 50.44 N ATOM 0 H LYS A 51 5.659 4.260 13.514 1.00 43.32 H new ATOM 0 HA LYS A 51 5.876 6.338 11.441 1.00 14.31 H new ATOM 0 HB2 LYS A 51 8.279 4.834 12.562 1.00 62.12 H new ATOM 0 HB3 LYS A 51 8.285 5.783 11.089 1.00 62.12 H new ATOM 0 HG2 LYS A 51 7.769 6.932 13.867 1.00 71.02 H new ATOM 0 HG3 LYS A 51 9.327 6.939 13.065 1.00 71.02 H new ATOM 0 HD2 LYS A 51 8.437 8.359 11.247 1.00 71.31 H new ATOM 0 HD3 LYS A 51 6.822 8.267 11.921 1.00 71.31 H new ATOM 0 HE2 LYS A 51 7.844 10.416 12.518 1.00 41.31 H new ATOM 0 HE3 LYS A 51 7.588 9.463 13.966 1.00 41.31 H new ATOM 0 HZ1 LYS A 51 9.764 10.515 13.941 1.00 50.44 H new ATOM 0 HZ2 LYS A 51 9.913 8.824 13.944 1.00 50.44 H new ATOM 0 HZ3 LYS A 51 10.172 9.697 12.511 1.00 50.44 H new ATOM 789 N SER A 52 6.202 4.398 9.717 1.00 5.12 N ATOM 790 CA SER A 52 6.081 3.335 8.719 1.00 40.21 C ATOM 791 C SER A 52 6.767 3.811 7.435 1.00 43.24 C ATOM 792 O SER A 52 6.467 4.908 6.953 1.00 61.21 O ATOM 793 CB SER A 52 4.589 2.998 8.456 1.00 14.13 C ATOM 794 OG SER A 52 4.454 1.858 7.624 1.00 72.21 O ATOM 0 H SER A 52 6.398 5.312 9.309 1.00 5.12 H new ATOM 0 HA SER A 52 6.559 2.425 9.080 1.00 40.21 H new ATOM 0 HB2 SER A 52 4.082 2.820 9.404 1.00 14.13 H new ATOM 0 HB3 SER A 52 4.099 3.852 7.988 1.00 14.13 H new ATOM 0 HG SER A 52 3.561 1.852 7.220 1.00 72.21 H new ATOM 800 N HIS A 53 7.704 3.020 6.889 1.00 13.01 N ATOM 801 CA HIS A 53 8.358 3.356 5.602 1.00 35.43 C ATOM 802 C HIS A 53 7.830 2.438 4.493 1.00 53.32 C ATOM 803 O HIS A 53 7.864 1.213 4.624 1.00 65.53 O ATOM 804 CB HIS A 53 9.916 3.377 5.693 1.00 63.53 C ATOM 805 CG HIS A 53 10.609 2.172 6.275 1.00 53.12 C ATOM 806 ND1 HIS A 53 11.981 2.030 6.236 1.00 31.51 N ATOM 807 CD2 HIS A 53 10.150 1.083 6.937 1.00 3.11 C ATOM 808 CE1 HIS A 53 12.327 0.921 6.855 1.00 63.51 C ATOM 809 NE2 HIS A 53 11.232 0.334 7.285 1.00 64.01 N ATOM 0 H HIS A 53 8.028 2.149 7.310 1.00 13.01 H new ATOM 0 HA HIS A 53 8.090 4.381 5.345 1.00 35.43 H new ATOM 0 HB2 HIS A 53 10.307 3.533 4.687 1.00 63.53 H new ATOM 0 HB3 HIS A 53 10.204 4.246 6.285 1.00 63.53 H new ATOM 0 HD1 HIS A 53 12.628 2.684 5.795 1.00 31.51 H new ATOM 0 HD2 HIS A 53 9.117 0.852 7.149 1.00 3.11 H new ATOM 0 HE1 HIS A 53 13.335 0.557 6.987 1.00 63.51 H new ATOM 818 N ILE A 54 7.289 3.054 3.424 1.00 73.21 N ATOM 819 CA ILE A 54 6.581 2.343 2.346 1.00 33.10 C ATOM 820 C ILE A 54 7.397 2.430 1.053 1.00 64.53 C ATOM 821 O ILE A 54 7.636 3.541 0.586 1.00 23.12 O ATOM 822 CB ILE A 54 5.133 2.943 2.060 1.00 20.14 C ATOM 823 CG1 ILE A 54 4.227 3.019 3.340 1.00 63.41 C ATOM 824 CG2 ILE A 54 4.419 2.128 0.957 1.00 40.11 C ATOM 825 CD1 ILE A 54 4.533 4.149 4.296 1.00 2.51 C ATOM 0 H ILE A 54 7.332 4.064 3.285 1.00 73.21 H new ATOM 0 HA ILE A 54 6.463 1.311 2.675 1.00 33.10 H new ATOM 0 HB ILE A 54 5.289 3.968 1.723 1.00 20.14 H new ATOM 0 HG12 ILE A 54 3.188 3.108 3.022 1.00 63.41 H new ATOM 0 HG13 ILE A 54 4.315 2.077 3.881 1.00 63.41 H new ATOM 0 HG21 ILE A 54 3.431 2.551 0.774 1.00 40.11 H new ATOM 0 HG22 ILE A 54 5.006 2.166 0.039 1.00 40.11 H new ATOM 0 HG23 ILE A 54 4.316 1.092 1.279 1.00 40.11 H new ATOM 0 HD11 ILE A 54 3.848 4.105 5.142 1.00 2.51 H new ATOM 0 HD12 ILE A 54 5.558 4.055 4.654 1.00 2.51 H new ATOM 0 HD13 ILE A 54 4.414 5.103 3.782 1.00 2.51 H new ATOM 837 N TRP A 55 7.795 1.271 0.474 1.00 51.13 N ATOM 838 CA TRP A 55 8.491 1.216 -0.832 1.00 45.03 C ATOM 839 C TRP A 55 7.442 1.109 -1.948 1.00 2.45 C ATOM 840 O TRP A 55 6.730 0.098 -2.043 1.00 51.11 O ATOM 841 CB TRP A 55 9.476 0.012 -0.906 1.00 41.14 C ATOM 842 CG TRP A 55 10.609 0.084 0.104 1.00 12.10 C ATOM 843 CD1 TRP A 55 11.887 0.532 -0.089 1.00 31.15 C ATOM 844 CD2 TRP A 55 10.542 -0.291 1.474 1.00 42.15 C ATOM 845 NE1 TRP A 55 12.597 0.471 1.080 1.00 24.22 N ATOM 846 CE2 TRP A 55 11.792 -0.033 2.054 1.00 63.10 C ATOM 847 CE3 TRP A 55 9.538 -0.808 2.260 1.00 42.53 C ATOM 848 CZ2 TRP A 55 12.052 -0.286 3.392 1.00 24.23 C ATOM 849 CZ3 TRP A 55 9.788 -1.061 3.574 1.00 54.55 C ATOM 850 CH2 TRP A 55 11.035 -0.797 4.137 1.00 63.24 C ATOM 0 H TRP A 55 7.643 0.355 0.897 1.00 51.13 H new ATOM 0 HA TRP A 55 9.079 2.126 -0.953 1.00 45.03 H new ATOM 0 HB2 TRP A 55 8.919 -0.911 -0.748 1.00 41.14 H new ATOM 0 HB3 TRP A 55 9.899 -0.038 -1.909 1.00 41.14 H new ATOM 0 HD1 TRP A 55 12.281 0.884 -1.031 1.00 31.15 H new ATOM 0 HE1 TRP A 55 13.569 0.756 1.201 1.00 24.22 H new ATOM 0 HE3 TRP A 55 8.564 -1.011 1.840 1.00 42.53 H new ATOM 0 HZ2 TRP A 55 13.021 -0.086 3.825 1.00 24.23 H new ATOM 0 HZ3 TRP A 55 9.005 -1.474 4.192 1.00 54.55 H new ATOM 0 HH2 TRP A 55 11.197 -1.002 5.185 1.00 63.24 H new ATOM 861 N LEU A 56 7.328 2.176 -2.756 1.00 64.32 N ATOM 862 CA LEU A 56 6.434 2.221 -3.923 1.00 13.33 C ATOM 863 C LEU A 56 7.217 1.837 -5.188 1.00 3.44 C ATOM 864 O LEU A 56 8.117 2.569 -5.615 1.00 40.23 O ATOM 865 CB LEU A 56 5.789 3.631 -4.101 1.00 25.41 C ATOM 866 CG LEU A 56 4.796 4.115 -2.981 1.00 74.11 C ATOM 867 CD1 LEU A 56 3.715 3.054 -2.670 1.00 61.04 C ATOM 868 CD2 LEU A 56 5.537 4.596 -1.707 1.00 14.52 C ATOM 0 H LEU A 56 7.857 3.037 -2.616 1.00 64.32 H new ATOM 0 HA LEU A 56 5.627 1.507 -3.758 1.00 13.33 H new ATOM 0 HB2 LEU A 56 6.593 4.363 -4.178 1.00 25.41 H new ATOM 0 HB3 LEU A 56 5.256 3.641 -5.052 1.00 25.41 H new ATOM 0 HG LEU A 56 4.274 4.986 -3.377 1.00 74.11 H new ATOM 0 HD11 LEU A 56 3.051 3.429 -1.891 1.00 61.04 H new ATOM 0 HD12 LEU A 56 3.138 2.848 -3.571 1.00 61.04 H new ATOM 0 HD13 LEU A 56 4.194 2.136 -2.328 1.00 61.04 H new ATOM 0 HD21 LEU A 56 4.809 4.920 -0.963 1.00 14.52 H new ATOM 0 HD22 LEU A 56 6.131 3.777 -1.301 1.00 14.52 H new ATOM 0 HD23 LEU A 56 6.193 5.429 -1.960 1.00 14.52 H new ATOM 880 N LEU A 57 6.864 0.679 -5.757 1.00 43.12 N ATOM 881 CA LEU A 57 7.433 0.153 -7.009 1.00 1.24 C ATOM 882 C LEU A 57 6.621 0.703 -8.177 1.00 43.20 C ATOM 883 O LEU A 57 5.553 0.161 -8.520 1.00 32.24 O ATOM 884 CB LEU A 57 7.421 -1.408 -7.030 1.00 12.04 C ATOM 885 CG LEU A 57 8.558 -2.140 -6.254 1.00 24.24 C ATOM 886 CD1 LEU A 57 8.699 -1.642 -4.798 1.00 42.03 C ATOM 887 CD2 LEU A 57 8.353 -3.670 -6.322 1.00 64.23 C ATOM 0 H LEU A 57 6.158 0.065 -5.352 1.00 43.12 H new ATOM 0 HA LEU A 57 8.473 0.470 -7.089 1.00 1.24 H new ATOM 0 HB2 LEU A 57 6.466 -1.744 -6.626 1.00 12.04 H new ATOM 0 HB3 LEU A 57 7.459 -1.732 -8.070 1.00 12.04 H new ATOM 0 HG LEU A 57 9.501 -1.897 -6.744 1.00 24.24 H new ATOM 0 HD11 LEU A 57 9.505 -2.185 -4.304 1.00 42.03 H new ATOM 0 HD12 LEU A 57 8.927 -0.576 -4.798 1.00 42.03 H new ATOM 0 HD13 LEU A 57 7.765 -1.813 -4.263 1.00 42.03 H new ATOM 0 HD21 LEU A 57 9.154 -4.169 -5.776 1.00 64.23 H new ATOM 0 HD22 LEU A 57 7.393 -3.929 -5.875 1.00 64.23 H new ATOM 0 HD23 LEU A 57 8.367 -3.993 -7.363 1.00 64.23 H new ATOM 899 N VAL A 58 7.132 1.800 -8.734 1.00 74.32 N ATOM 900 CA VAL A 58 6.527 2.523 -9.867 1.00 65.02 C ATOM 901 C VAL A 58 7.667 3.036 -10.738 1.00 54.31 C ATOM 902 O VAL A 58 8.693 3.389 -10.196 1.00 52.31 O ATOM 903 CB VAL A 58 5.660 3.747 -9.354 1.00 21.15 C ATOM 904 CG1 VAL A 58 6.522 4.825 -8.637 1.00 31.33 C ATOM 905 CG2 VAL A 58 4.804 4.374 -10.489 1.00 64.10 C ATOM 0 H VAL A 58 7.999 2.226 -8.407 1.00 74.32 H new ATOM 0 HA VAL A 58 5.869 1.858 -10.427 1.00 65.02 H new ATOM 0 HB VAL A 58 4.972 3.341 -8.612 1.00 21.15 H new ATOM 0 HG11 VAL A 58 5.881 5.642 -8.305 1.00 31.33 H new ATOM 0 HG12 VAL A 58 7.018 4.380 -7.775 1.00 31.33 H new ATOM 0 HG13 VAL A 58 7.272 5.210 -9.328 1.00 31.33 H new ATOM 0 HG21 VAL A 58 4.227 5.209 -10.091 1.00 64.10 H new ATOM 0 HG22 VAL A 58 5.459 4.732 -11.283 1.00 64.10 H new ATOM 0 HG23 VAL A 58 4.125 3.622 -10.890 1.00 64.10 H new ATOM 915 N ASN A 59 7.530 3.069 -12.068 1.00 30.25 N ATOM 916 CA ASN A 59 8.562 3.713 -12.905 1.00 63.04 C ATOM 917 C ASN A 59 8.461 5.236 -12.743 1.00 33.32 C ATOM 918 O ASN A 59 7.369 5.801 -12.855 1.00 42.04 O ATOM 919 CB ASN A 59 8.494 3.244 -14.385 1.00 54.31 C ATOM 920 CG ASN A 59 7.134 3.392 -15.078 1.00 52.20 C ATOM 921 OD1 ASN A 59 6.465 4.421 -15.003 1.00 24.21 O ATOM 922 ND2 ASN A 59 6.711 2.345 -15.766 1.00 41.32 N ATOM 0 H ASN A 59 6.743 2.672 -12.581 1.00 30.25 H new ATOM 0 HA ASN A 59 9.549 3.402 -12.563 1.00 63.04 H new ATOM 0 HB2 ASN A 59 9.233 3.805 -14.957 1.00 54.31 H new ATOM 0 HB3 ASN A 59 8.788 2.195 -14.426 1.00 54.31 H new ATOM 0 HD21 ASN A 59 5.813 2.381 -16.248 1.00 41.32 H new ATOM 0 HD22 ASN A 59 7.283 1.502 -15.814 1.00 41.32 H new ATOM 929 N ASP A 60 9.587 5.885 -12.383 1.00 44.32 N ATOM 930 CA ASP A 60 9.612 7.332 -12.144 1.00 32.22 C ATOM 931 C ASP A 60 9.542 8.101 -13.469 1.00 62.35 C ATOM 932 O ASP A 60 9.693 7.538 -14.562 1.00 34.14 O ATOM 933 CB ASP A 60 10.853 7.777 -11.301 1.00 1.20 C ATOM 934 CG ASP A 60 12.131 8.009 -12.125 1.00 62.32 C ATOM 935 OD1 ASP A 60 12.746 7.022 -12.582 1.00 12.21 O ATOM 936 OD2 ASP A 60 12.516 9.185 -12.328 1.00 61.42 O ATOM 0 H ASP A 60 10.488 5.425 -12.253 1.00 44.32 H new ATOM 0 HA ASP A 60 8.729 7.575 -11.553 1.00 32.22 H new ATOM 0 HB2 ASP A 60 10.606 8.696 -10.770 1.00 1.20 H new ATOM 0 HB3 ASP A 60 11.055 7.018 -10.546 1.00 1.20 H new ATOM 941 N ASP A 61 9.324 9.393 -13.333 1.00 54.53 N ATOM 942 CA ASP A 61 9.094 10.314 -14.438 1.00 35.31 C ATOM 943 C ASP A 61 9.729 11.655 -14.049 1.00 70.35 C ATOM 944 O ASP A 61 10.023 11.879 -12.863 1.00 11.25 O ATOM 945 CB ASP A 61 7.549 10.447 -14.657 1.00 2.42 C ATOM 946 CG ASP A 61 7.139 10.898 -16.073 1.00 24.32 C ATOM 947 OD1 ASP A 61 7.357 12.076 -16.419 1.00 23.52 O ATOM 948 OD2 ASP A 61 6.561 10.080 -16.831 1.00 31.34 O ATOM 0 H ASP A 61 9.300 9.850 -12.422 1.00 54.53 H new ATOM 0 HA ASP A 61 9.537 9.965 -15.370 1.00 35.31 H new ATOM 0 HB2 ASP A 61 7.081 9.485 -14.446 1.00 2.42 H new ATOM 0 HB3 ASP A 61 7.153 11.160 -13.934 1.00 2.42 H new ATOM 953 N GLN A 62 9.906 12.548 -15.021 1.00 41.15 N ATOM 954 CA GLN A 62 10.291 13.945 -14.740 1.00 63.20 C ATOM 955 C GLN A 62 9.150 14.660 -13.981 1.00 72.43 C ATOM 956 O GLN A 62 9.390 15.559 -13.172 1.00 42.32 O ATOM 957 CB GLN A 62 10.648 14.684 -16.056 1.00 35.33 C ATOM 958 CG GLN A 62 11.798 14.037 -16.859 1.00 54.11 C ATOM 959 CD GLN A 62 13.118 13.947 -16.081 1.00 12.50 C ATOM 960 OE1 GLN A 62 13.949 14.857 -16.119 1.00 72.32 O ATOM 961 NE2 GLN A 62 13.324 12.853 -15.376 1.00 31.05 N ATOM 0 H GLN A 62 9.791 12.337 -16.012 1.00 41.15 H new ATOM 0 HA GLN A 62 11.179 13.954 -14.107 1.00 63.20 H new ATOM 0 HB2 GLN A 62 9.760 14.727 -16.687 1.00 35.33 H new ATOM 0 HB3 GLN A 62 10.920 15.712 -15.819 1.00 35.33 H new ATOM 0 HG2 GLN A 62 11.497 13.035 -17.164 1.00 54.11 H new ATOM 0 HG3 GLN A 62 11.962 14.612 -17.770 1.00 54.11 H new ATOM 0 HE21 GLN A 62 12.620 12.115 -15.362 1.00 31.05 H new ATOM 0 HE22 GLN A 62 14.188 12.744 -14.844 1.00 31.05 H new ATOM 970 N ARG A 63 7.905 14.218 -14.252 1.00 41.53 N ATOM 971 CA ARG A 63 6.689 14.704 -13.573 1.00 64.10 C ATOM 972 C ARG A 63 6.598 14.123 -12.143 1.00 73.20 C ATOM 973 O ARG A 63 6.215 14.821 -11.205 1.00 32.12 O ATOM 974 CB ARG A 63 5.422 14.301 -14.387 1.00 11.32 C ATOM 975 CG ARG A 63 4.162 15.143 -14.069 1.00 10.15 C ATOM 976 CD ARG A 63 4.277 16.582 -14.610 1.00 44.31 C ATOM 977 NE ARG A 63 4.369 16.586 -16.086 1.00 12.51 N ATOM 978 CZ ARG A 63 5.163 17.374 -16.835 1.00 24.00 C ATOM 979 NH1 ARG A 63 5.969 18.269 -16.283 1.00 40.24 N ATOM 980 NH2 ARG A 63 5.142 17.243 -18.150 1.00 0.41 N ATOM 0 H ARG A 63 7.715 13.505 -14.957 1.00 41.53 H new ATOM 0 HA ARG A 63 6.742 15.791 -13.508 1.00 64.10 H new ATOM 0 HB2 ARG A 63 5.645 14.390 -15.450 1.00 11.32 H new ATOM 0 HB3 ARG A 63 5.200 13.251 -14.195 1.00 11.32 H new ATOM 0 HG2 ARG A 63 3.285 14.662 -14.503 1.00 10.15 H new ATOM 0 HG3 ARG A 63 4.008 15.172 -12.990 1.00 10.15 H new ATOM 0 HD2 ARG A 63 3.411 17.164 -14.294 1.00 44.31 H new ATOM 0 HD3 ARG A 63 5.157 17.065 -14.186 1.00 44.31 H new ATOM 0 HE ARG A 63 3.772 15.927 -16.586 1.00 12.51 H new ATOM 0 HH11 ARG A 63 5.998 18.373 -15.269 1.00 40.24 H new ATOM 0 HH12 ARG A 63 6.561 18.854 -16.872 1.00 40.24 H new ATOM 0 HH21 ARG A 63 4.530 16.552 -18.584 1.00 0.41 H new ATOM 0 HH22 ARG A 63 5.738 17.833 -18.731 1.00 0.41 H new ATOM 994 N LEU A 64 6.994 12.838 -12.014 1.00 12.43 N ATOM 995 CA LEU A 64 6.923 12.044 -10.757 1.00 21.11 C ATOM 996 C LEU A 64 7.710 12.764 -9.643 1.00 31.55 C ATOM 997 O LEU A 64 7.268 12.820 -8.505 1.00 54.33 O ATOM 998 CB LEU A 64 7.520 10.617 -11.011 1.00 11.21 C ATOM 999 CG LEU A 64 7.028 9.381 -10.166 1.00 34.02 C ATOM 1000 CD1 LEU A 64 7.069 9.616 -8.659 1.00 30.22 C ATOM 1001 CD2 LEU A 64 5.647 8.873 -10.627 1.00 1.20 C ATOM 0 H LEU A 64 7.381 12.308 -12.795 1.00 12.43 H new ATOM 0 HA LEU A 64 5.884 11.944 -10.442 1.00 21.11 H new ATOM 0 HB2 LEU A 64 7.347 10.378 -12.060 1.00 11.21 H new ATOM 0 HB3 LEU A 64 8.599 10.691 -10.874 1.00 11.21 H new ATOM 0 HG LEU A 64 7.751 8.590 -10.364 1.00 34.02 H new ATOM 0 HD11 LEU A 64 6.717 8.724 -8.142 1.00 30.22 H new ATOM 0 HD12 LEU A 64 8.092 9.833 -8.352 1.00 30.22 H new ATOM 0 HD13 LEU A 64 6.427 10.460 -8.405 1.00 30.22 H new ATOM 0 HD21 LEU A 64 5.350 8.021 -10.016 1.00 1.20 H new ATOM 0 HD22 LEU A 64 4.912 9.670 -10.520 1.00 1.20 H new ATOM 0 HD23 LEU A 64 5.702 8.568 -11.672 1.00 1.20 H new ATOM 1013 N GLU A 65 8.876 13.324 -10.023 1.00 23.45 N ATOM 1014 CA GLU A 65 9.794 14.032 -9.107 1.00 55.32 C ATOM 1015 C GLU A 65 9.124 15.240 -8.436 1.00 63.32 C ATOM 1016 O GLU A 65 9.424 15.558 -7.282 1.00 13.23 O ATOM 1017 CB GLU A 65 11.047 14.482 -9.885 1.00 33.13 C ATOM 1018 CG GLU A 65 11.817 13.323 -10.544 1.00 20.41 C ATOM 1019 CD GLU A 65 13.059 13.792 -11.306 1.00 10.44 C ATOM 1020 OE1 GLU A 65 14.139 13.912 -10.689 1.00 21.01 O ATOM 1021 OE2 GLU A 65 12.964 14.061 -12.520 1.00 4.54 O ATOM 0 H GLU A 65 9.211 13.297 -10.986 1.00 23.45 H new ATOM 0 HA GLU A 65 10.077 13.340 -8.313 1.00 55.32 H new ATOM 0 HB2 GLU A 65 10.749 15.193 -10.656 1.00 33.13 H new ATOM 0 HB3 GLU A 65 11.715 15.010 -9.205 1.00 33.13 H new ATOM 0 HG2 GLU A 65 12.116 12.609 -9.777 1.00 20.41 H new ATOM 0 HG3 GLU A 65 11.154 12.796 -11.230 1.00 20.41 H new ATOM 1028 N GLN A 66 8.214 15.898 -9.167 1.00 11.11 N ATOM 1029 CA GLN A 66 7.430 17.029 -8.638 1.00 70.23 C ATOM 1030 C GLN A 66 6.409 16.532 -7.604 1.00 34.32 C ATOM 1031 O GLN A 66 6.178 17.195 -6.592 1.00 42.23 O ATOM 1032 CB GLN A 66 6.722 17.794 -9.786 1.00 1.01 C ATOM 1033 CG GLN A 66 7.673 18.354 -10.863 1.00 43.05 C ATOM 1034 CD GLN A 66 8.800 19.230 -10.297 1.00 22.55 C ATOM 1035 OE1 GLN A 66 9.905 18.756 -10.021 1.00 44.30 O ATOM 1036 NE2 GLN A 66 8.515 20.505 -10.096 1.00 63.34 N ATOM 0 H GLN A 66 7.999 15.665 -10.137 1.00 11.11 H new ATOM 0 HA GLN A 66 8.113 17.721 -8.145 1.00 70.23 H new ATOM 0 HB2 GLN A 66 6.006 17.125 -10.264 1.00 1.01 H new ATOM 0 HB3 GLN A 66 6.152 18.619 -9.359 1.00 1.01 H new ATOM 0 HG2 GLN A 66 8.113 17.523 -11.414 1.00 43.05 H new ATOM 0 HG3 GLN A 66 7.094 18.939 -11.577 1.00 43.05 H new ATOM 0 HE21 GLN A 66 7.591 20.865 -10.335 1.00 63.34 H new ATOM 0 HE22 GLN A 66 9.219 21.129 -9.702 1.00 63.34 H new ATOM 1045 N MET A 67 5.821 15.349 -7.869 1.00 34.34 N ATOM 1046 CA MET A 67 4.898 14.677 -6.932 1.00 32.02 C ATOM 1047 C MET A 67 5.635 14.232 -5.645 1.00 34.22 C ATOM 1048 O MET A 67 5.071 14.330 -4.552 1.00 61.10 O ATOM 1049 CB MET A 67 4.191 13.463 -7.607 1.00 63.43 C ATOM 1050 CG MET A 67 3.063 13.830 -8.585 1.00 63.41 C ATOM 1051 SD MET A 67 3.606 14.847 -9.972 1.00 55.13 S ATOM 1052 CE MET A 67 2.073 15.045 -10.877 1.00 52.44 C ATOM 0 H MET A 67 5.972 14.833 -8.736 1.00 34.34 H new ATOM 0 HA MET A 67 4.132 15.400 -6.652 1.00 32.02 H new ATOM 0 HB2 MET A 67 4.939 12.877 -8.142 1.00 63.43 H new ATOM 0 HB3 MET A 67 3.781 12.821 -6.827 1.00 63.43 H new ATOM 0 HG2 MET A 67 2.617 12.914 -8.971 1.00 63.41 H new ATOM 0 HG3 MET A 67 2.281 14.361 -8.041 1.00 63.41 H new ATOM 0 HE1 MET A 67 2.201 15.805 -11.648 1.00 52.44 H new ATOM 0 HE2 MET A 67 1.800 14.098 -11.343 1.00 52.44 H new ATOM 0 HE3 MET A 67 1.283 15.353 -10.192 1.00 52.44 H new ATOM 1062 N ILE A 68 6.898 13.764 -5.795 1.00 25.11 N ATOM 1063 CA ILE A 68 7.766 13.372 -4.656 1.00 62.11 C ATOM 1064 C ILE A 68 8.086 14.619 -3.804 1.00 3.34 C ATOM 1065 O ILE A 68 8.008 14.587 -2.575 1.00 61.31 O ATOM 1066 CB ILE A 68 9.121 12.714 -5.142 1.00 5.13 C ATOM 1067 CG1 ILE A 68 8.869 11.470 -6.046 1.00 53.21 C ATOM 1068 CG2 ILE A 68 10.029 12.324 -3.941 1.00 24.31 C ATOM 1069 CD1 ILE A 68 10.129 10.896 -6.689 1.00 32.54 C ATOM 0 H ILE A 68 7.343 13.648 -6.705 1.00 25.11 H new ATOM 0 HA ILE A 68 7.226 12.631 -4.066 1.00 62.11 H new ATOM 0 HB ILE A 68 9.638 13.468 -5.736 1.00 5.13 H new ATOM 0 HG12 ILE A 68 8.393 10.692 -5.449 1.00 53.21 H new ATOM 0 HG13 ILE A 68 8.166 11.743 -6.833 1.00 53.21 H new ATOM 0 HG21 ILE A 68 10.950 11.875 -4.312 1.00 24.31 H new ATOM 0 HG22 ILE A 68 10.268 13.215 -3.361 1.00 24.31 H new ATOM 0 HG23 ILE A 68 9.506 11.608 -3.307 1.00 24.31 H new ATOM 0 HD11 ILE A 68 9.865 10.034 -7.301 1.00 32.54 H new ATOM 0 HD12 ILE A 68 10.596 11.656 -7.315 1.00 32.54 H new ATOM 0 HD13 ILE A 68 10.827 10.588 -5.910 1.00 32.54 H new ATOM 1081 N SER A 69 8.404 15.720 -4.504 1.00 0.42 N ATOM 1082 CA SER A 69 8.781 16.998 -3.888 1.00 63.45 C ATOM 1083 C SER A 69 7.590 17.626 -3.144 1.00 3.02 C ATOM 1084 O SER A 69 7.770 18.257 -2.098 1.00 53.30 O ATOM 1085 CB SER A 69 9.322 17.961 -4.974 1.00 32.11 C ATOM 1086 OG SER A 69 9.753 19.197 -4.426 1.00 41.35 O ATOM 0 H SER A 69 8.406 15.746 -5.524 1.00 0.42 H new ATOM 0 HA SER A 69 9.566 16.815 -3.154 1.00 63.45 H new ATOM 0 HB2 SER A 69 10.153 17.487 -5.496 1.00 32.11 H new ATOM 0 HB3 SER A 69 8.544 18.145 -5.715 1.00 32.11 H new ATOM 0 HG SER A 69 10.088 19.774 -5.144 1.00 41.35 H new ATOM 1092 N GLN A 70 6.376 17.433 -3.696 1.00 30.24 N ATOM 1093 CA GLN A 70 5.134 17.972 -3.128 1.00 63.25 C ATOM 1094 C GLN A 70 4.786 17.216 -1.841 1.00 32.32 C ATOM 1095 O GLN A 70 4.574 17.829 -0.788 1.00 60.11 O ATOM 1096 CB GLN A 70 3.985 17.865 -4.181 1.00 44.14 C ATOM 1097 CG GLN A 70 2.678 18.652 -3.864 1.00 22.34 C ATOM 1098 CD GLN A 70 1.783 18.055 -2.765 1.00 10.40 C ATOM 1099 OE1 GLN A 70 1.126 18.781 -2.023 1.00 33.14 O ATOM 1100 NE2 GLN A 70 1.706 16.731 -2.684 1.00 61.23 N ATOM 0 H GLN A 70 6.234 16.896 -4.552 1.00 30.24 H new ATOM 0 HA GLN A 70 5.266 19.025 -2.877 1.00 63.25 H new ATOM 0 HB2 GLN A 70 4.368 18.212 -5.141 1.00 44.14 H new ATOM 0 HB3 GLN A 70 3.729 16.812 -4.301 1.00 44.14 H new ATOM 0 HG2 GLN A 70 2.950 19.667 -3.573 1.00 22.34 H new ATOM 0 HG3 GLN A 70 2.092 18.729 -4.780 1.00 22.34 H new ATOM 0 HE21 GLN A 70 2.261 16.149 -3.311 1.00 61.23 H new ATOM 0 HE22 GLN A 70 1.092 16.297 -1.995 1.00 61.23 H new ATOM 1109 N ILE A 71 4.749 15.869 -1.944 1.00 1.04 N ATOM 1110 CA ILE A 71 4.323 14.993 -0.841 1.00 55.10 C ATOM 1111 C ILE A 71 5.313 15.058 0.340 1.00 71.43 C ATOM 1112 O ILE A 71 4.927 14.878 1.497 1.00 63.13 O ATOM 1113 CB ILE A 71 4.112 13.508 -1.308 1.00 4.41 C ATOM 1114 CG1 ILE A 71 3.340 12.696 -0.221 1.00 31.54 C ATOM 1115 CG2 ILE A 71 5.449 12.816 -1.684 1.00 31.14 C ATOM 1116 CD1 ILE A 71 3.203 11.223 -0.506 1.00 61.44 C ATOM 0 H ILE A 71 5.013 15.365 -2.791 1.00 1.04 H new ATOM 0 HA ILE A 71 3.357 15.366 -0.500 1.00 55.10 H new ATOM 0 HB ILE A 71 3.507 13.533 -2.214 1.00 4.41 H new ATOM 0 HG12 ILE A 71 3.850 12.820 0.734 1.00 31.54 H new ATOM 0 HG13 ILE A 71 2.344 13.123 -0.109 1.00 31.54 H new ATOM 0 HG21 ILE A 71 5.252 11.792 -2.000 1.00 31.14 H new ATOM 0 HG22 ILE A 71 5.925 13.362 -2.498 1.00 31.14 H new ATOM 0 HG23 ILE A 71 6.110 12.807 -0.818 1.00 31.14 H new ATOM 0 HD11 ILE A 71 2.653 10.745 0.305 1.00 61.44 H new ATOM 0 HD12 ILE A 71 2.664 11.082 -1.443 1.00 61.44 H new ATOM 0 HD13 ILE A 71 4.193 10.774 -0.586 1.00 61.44 H new ATOM 1128 N ASP A 72 6.585 15.339 0.020 1.00 4.14 N ATOM 1129 CA ASP A 72 7.655 15.517 1.012 1.00 74.22 C ATOM 1130 C ASP A 72 7.326 16.662 2.007 1.00 54.55 C ATOM 1131 O ASP A 72 7.654 16.583 3.196 1.00 24.41 O ATOM 1132 CB ASP A 72 8.994 15.771 0.266 1.00 5.55 C ATOM 1133 CG ASP A 72 10.146 16.217 1.180 1.00 24.32 C ATOM 1134 OD1 ASP A 72 10.519 15.454 2.097 1.00 62.33 O ATOM 1135 OD2 ASP A 72 10.686 17.339 0.991 1.00 22.12 O ATOM 0 H ASP A 72 6.902 15.450 -0.943 1.00 4.14 H new ATOM 0 HA ASP A 72 7.746 14.610 1.610 1.00 74.22 H new ATOM 0 HB2 ASP A 72 9.288 14.858 -0.252 1.00 5.55 H new ATOM 0 HB3 ASP A 72 8.834 16.533 -0.497 1.00 5.55 H new ATOM 1140 N LYS A 73 6.634 17.704 1.504 1.00 52.51 N ATOM 1141 CA LYS A 73 6.284 18.904 2.298 1.00 3.34 C ATOM 1142 C LYS A 73 5.053 18.668 3.197 1.00 42.22 C ATOM 1143 O LYS A 73 4.710 19.531 4.017 1.00 75.50 O ATOM 1144 CB LYS A 73 6.055 20.123 1.360 1.00 22.32 C ATOM 1145 CG LYS A 73 7.185 20.360 0.331 1.00 70.52 C ATOM 1146 CD LYS A 73 8.596 20.351 0.970 1.00 3.14 C ATOM 1147 CE LYS A 73 9.722 20.542 -0.056 1.00 20.51 C ATOM 1148 NZ LYS A 73 11.061 20.335 0.558 1.00 11.00 N ATOM 0 H LYS A 73 6.302 17.740 0.540 1.00 52.51 H new ATOM 0 HA LYS A 73 7.125 19.117 2.958 1.00 3.34 H new ATOM 0 HB2 LYS A 73 5.116 19.982 0.824 1.00 22.32 H new ATOM 0 HB3 LYS A 73 5.942 21.019 1.970 1.00 22.32 H new ATOM 0 HG2 LYS A 73 7.136 19.590 -0.439 1.00 70.52 H new ATOM 0 HG3 LYS A 73 7.023 21.317 -0.165 1.00 70.52 H new ATOM 0 HD2 LYS A 73 8.655 21.142 1.717 1.00 3.14 H new ATOM 0 HD3 LYS A 73 8.746 19.407 1.493 1.00 3.14 H new ATOM 0 HE2 LYS A 73 9.587 19.842 -0.881 1.00 20.51 H new ATOM 0 HE3 LYS A 73 9.665 21.546 -0.477 1.00 20.51 H new ATOM 0 HZ1 LYS A 73 11.800 20.603 -0.123 1.00 11.00 H new ATOM 0 HZ2 LYS A 73 11.146 20.924 1.411 1.00 11.00 H new ATOM 0 HZ3 LYS A 73 11.174 19.334 0.816 1.00 11.00 H new ATOM 1162 N LEU A 74 4.396 17.504 3.038 1.00 54.34 N ATOM 1163 CA LEU A 74 3.274 17.075 3.900 1.00 12.42 C ATOM 1164 C LEU A 74 3.809 16.635 5.273 1.00 54.42 C ATOM 1165 O LEU A 74 4.926 16.114 5.380 1.00 3.23 O ATOM 1166 CB LEU A 74 2.462 15.911 3.233 1.00 43.03 C ATOM 1167 CG LEU A 74 1.352 16.317 2.195 1.00 32.21 C ATOM 1168 CD1 LEU A 74 0.179 17.039 2.890 1.00 31.22 C ATOM 1169 CD2 LEU A 74 1.920 17.175 1.039 1.00 11.11 C ATOM 0 H LEU A 74 4.627 16.831 2.307 1.00 54.34 H new ATOM 0 HA LEU A 74 2.599 17.921 4.032 1.00 12.42 H new ATOM 0 HB2 LEU A 74 3.168 15.249 2.732 1.00 43.03 H new ATOM 0 HB3 LEU A 74 1.989 15.331 4.025 1.00 43.03 H new ATOM 0 HG LEU A 74 0.975 15.394 1.756 1.00 32.21 H new ATOM 0 HD11 LEU A 74 -0.573 17.308 2.149 1.00 31.22 H new ATOM 0 HD12 LEU A 74 -0.265 16.378 3.634 1.00 31.22 H new ATOM 0 HD13 LEU A 74 0.546 17.942 3.379 1.00 31.22 H new ATOM 0 HD21 LEU A 74 1.117 17.431 0.348 1.00 11.11 H new ATOM 0 HD22 LEU A 74 2.355 18.089 1.444 1.00 11.11 H new ATOM 0 HD23 LEU A 74 2.688 16.610 0.510 1.00 11.11 H new ATOM 1181 N GLU A 75 2.970 16.822 6.306 1.00 61.30 N ATOM 1182 CA GLU A 75 3.283 16.432 7.700 1.00 14.13 C ATOM 1183 C GLU A 75 3.245 14.903 7.875 1.00 5.54 C ATOM 1184 O GLU A 75 3.606 14.383 8.939 1.00 54.30 O ATOM 1185 CB GLU A 75 2.289 17.119 8.668 1.00 4.15 C ATOM 1186 CG GLU A 75 2.320 18.662 8.605 1.00 35.50 C ATOM 1187 CD GLU A 75 1.189 19.312 9.412 1.00 45.24 C ATOM 1188 OE1 GLU A 75 0.080 19.482 8.859 1.00 14.43 O ATOM 1189 OE2 GLU A 75 1.393 19.636 10.601 1.00 74.51 O ATOM 0 H GLU A 75 2.050 17.250 6.202 1.00 61.30 H new ATOM 0 HA GLU A 75 4.295 16.762 7.933 1.00 14.13 H new ATOM 0 HB2 GLU A 75 1.280 16.776 8.441 1.00 4.15 H new ATOM 0 HB3 GLU A 75 2.511 16.802 9.687 1.00 4.15 H new ATOM 0 HG2 GLU A 75 3.279 19.017 8.981 1.00 35.50 H new ATOM 0 HG3 GLU A 75 2.248 18.980 7.565 1.00 35.50 H new ATOM 1196 N ASP A 76 2.772 14.203 6.835 1.00 72.34 N ATOM 1197 CA ASP A 76 2.804 12.745 6.769 1.00 44.23 C ATOM 1198 C ASP A 76 4.248 12.266 6.594 1.00 35.31 C ATOM 1199 O ASP A 76 4.784 11.565 7.455 1.00 74.41 O ATOM 1200 CB ASP A 76 1.960 12.264 5.561 1.00 21.44 C ATOM 1201 CG ASP A 76 0.523 12.810 5.554 1.00 3.23 C ATOM 1202 OD1 ASP A 76 -0.364 12.189 6.165 1.00 52.55 O ATOM 1203 OD2 ASP A 76 0.278 13.864 4.930 1.00 44.14 O ATOM 0 H ASP A 76 2.355 14.640 6.013 1.00 72.34 H new ATOM 0 HA ASP A 76 2.394 12.336 7.692 1.00 44.23 H new ATOM 0 HB2 ASP A 76 2.458 12.564 4.639 1.00 21.44 H new ATOM 0 HB3 ASP A 76 1.925 11.175 5.564 1.00 21.44 H new ATOM 1208 N VAL A 77 4.883 12.753 5.514 1.00 33.11 N ATOM 1209 CA VAL A 77 6.223 12.332 5.104 1.00 42.31 C ATOM 1210 C VAL A 77 7.272 13.013 5.988 1.00 25.05 C ATOM 1211 O VAL A 77 7.597 14.188 5.800 1.00 71.11 O ATOM 1212 CB VAL A 77 6.460 12.638 3.575 1.00 4.23 C ATOM 1213 CG1 VAL A 77 7.925 12.387 3.145 1.00 33.33 C ATOM 1214 CG2 VAL A 77 5.496 11.803 2.702 1.00 20.32 C ATOM 0 H VAL A 77 4.472 13.456 4.899 1.00 33.11 H new ATOM 0 HA VAL A 77 6.317 11.254 5.234 1.00 42.31 H new ATOM 0 HB VAL A 77 6.256 13.698 3.425 1.00 4.23 H new ATOM 0 HG11 VAL A 77 8.037 12.612 2.084 1.00 33.33 H new ATOM 0 HG12 VAL A 77 8.589 13.029 3.724 1.00 33.33 H new ATOM 0 HG13 VAL A 77 8.183 11.343 3.323 1.00 33.33 H new ATOM 0 HG21 VAL A 77 5.672 12.026 1.650 1.00 20.32 H new ATOM 0 HG22 VAL A 77 5.669 10.742 2.882 1.00 20.32 H new ATOM 0 HG23 VAL A 77 4.466 12.051 2.958 1.00 20.32 H new ATOM 1224 N VAL A 78 7.742 12.263 6.991 1.00 44.10 N ATOM 1225 CA VAL A 78 8.810 12.696 7.902 1.00 61.14 C ATOM 1226 C VAL A 78 10.142 12.730 7.123 1.00 0.24 C ATOM 1227 O VAL A 78 10.925 13.681 7.234 1.00 23.24 O ATOM 1228 CB VAL A 78 8.920 11.729 9.148 1.00 22.45 C ATOM 1229 CG1 VAL A 78 9.820 12.316 10.257 1.00 14.23 C ATOM 1230 CG2 VAL A 78 7.518 11.368 9.701 1.00 25.50 C ATOM 0 H VAL A 78 7.389 11.328 7.196 1.00 44.10 H new ATOM 0 HA VAL A 78 8.579 13.691 8.281 1.00 61.14 H new ATOM 0 HB VAL A 78 9.394 10.811 8.801 1.00 22.45 H new ATOM 0 HG11 VAL A 78 9.868 11.619 11.094 1.00 14.23 H new ATOM 0 HG12 VAL A 78 10.823 12.479 9.863 1.00 14.23 H new ATOM 0 HG13 VAL A 78 9.405 13.265 10.598 1.00 14.23 H new ATOM 0 HG21 VAL A 78 7.625 10.702 10.557 1.00 25.50 H new ATOM 0 HG22 VAL A 78 7.004 12.278 10.011 1.00 25.50 H new ATOM 0 HG23 VAL A 78 6.938 10.870 8.924 1.00 25.50 H new ATOM 1240 N LYS A 79 10.358 11.668 6.318 1.00 4.22 N ATOM 1241 CA LYS A 79 11.510 11.535 5.394 1.00 42.35 C ATOM 1242 C LYS A 79 11.048 10.873 4.085 1.00 11.44 C ATOM 1243 O LYS A 79 10.103 10.086 4.090 1.00 20.04 O ATOM 1244 CB LYS A 79 12.659 10.690 6.022 1.00 62.44 C ATOM 1245 CG LYS A 79 13.359 11.345 7.234 1.00 32.51 C ATOM 1246 CD LYS A 79 14.522 10.486 7.788 1.00 65.32 C ATOM 1247 CE LYS A 79 15.222 11.136 8.998 1.00 3.32 C ATOM 1248 NZ LYS A 79 16.371 10.320 9.479 1.00 64.40 N ATOM 0 H LYS A 79 9.729 10.866 6.290 1.00 4.22 H new ATOM 0 HA LYS A 79 11.895 12.535 5.196 1.00 42.35 H new ATOM 0 HB2 LYS A 79 12.255 9.726 6.331 1.00 62.44 H new ATOM 0 HB3 LYS A 79 13.406 10.490 5.253 1.00 62.44 H new ATOM 0 HG2 LYS A 79 13.742 12.323 6.942 1.00 32.51 H new ATOM 0 HG3 LYS A 79 12.627 11.512 8.025 1.00 32.51 H new ATOM 0 HD2 LYS A 79 14.139 9.508 8.078 1.00 65.32 H new ATOM 0 HD3 LYS A 79 15.253 10.320 6.997 1.00 65.32 H new ATOM 0 HE2 LYS A 79 15.573 12.131 8.723 1.00 3.32 H new ATOM 0 HE3 LYS A 79 14.503 11.264 9.808 1.00 3.32 H new ATOM 0 HZ1 LYS A 79 16.815 10.791 10.293 1.00 64.40 H new ATOM 0 HZ2 LYS A 79 16.033 9.379 9.765 1.00 64.40 H new ATOM 0 HZ3 LYS A 79 17.069 10.219 8.715 1.00 64.40 H new ATOM 1262 N VAL A 80 11.718 11.211 2.969 1.00 33.52 N ATOM 1263 CA VAL A 80 11.523 10.547 1.658 1.00 23.33 C ATOM 1264 C VAL A 80 12.910 10.139 1.106 1.00 50.43 C ATOM 1265 O VAL A 80 13.908 10.841 1.339 1.00 25.51 O ATOM 1266 CB VAL A 80 10.735 11.471 0.634 1.00 73.42 C ATOM 1267 CG1 VAL A 80 11.558 12.710 0.202 1.00 63.53 C ATOM 1268 CG2 VAL A 80 10.224 10.662 -0.592 1.00 34.20 C ATOM 0 H VAL A 80 12.415 11.956 2.946 1.00 33.52 H new ATOM 0 HA VAL A 80 10.906 9.659 1.794 1.00 23.33 H new ATOM 0 HB VAL A 80 9.860 11.849 1.163 1.00 73.42 H new ATOM 0 HG11 VAL A 80 10.975 13.308 -0.498 1.00 63.53 H new ATOM 0 HG12 VAL A 80 11.800 13.310 1.079 1.00 63.53 H new ATOM 0 HG13 VAL A 80 12.480 12.384 -0.280 1.00 63.53 H new ATOM 0 HG21 VAL A 80 9.690 11.328 -1.270 1.00 34.20 H new ATOM 0 HG22 VAL A 80 11.072 10.217 -1.113 1.00 34.20 H new ATOM 0 HG23 VAL A 80 9.552 9.874 -0.253 1.00 34.20 H new ATOM 1278 N GLN A 81 12.979 8.999 0.396 1.00 65.24 N ATOM 1279 CA GLN A 81 14.251 8.417 -0.062 1.00 62.03 C ATOM 1280 C GLN A 81 14.046 7.625 -1.369 1.00 31.33 C ATOM 1281 O GLN A 81 13.199 6.722 -1.437 1.00 20.34 O ATOM 1282 CB GLN A 81 14.843 7.507 1.052 1.00 0.23 C ATOM 1283 CG GLN A 81 16.171 6.816 0.686 1.00 45.44 C ATOM 1284 CD GLN A 81 16.734 5.949 1.816 1.00 54.42 C ATOM 1285 OE1 GLN A 81 17.522 6.408 2.641 1.00 60.51 O ATOM 1286 NE2 GLN A 81 16.335 4.690 1.862 1.00 63.20 N ATOM 0 H GLN A 81 12.158 8.458 0.125 1.00 65.24 H new ATOM 0 HA GLN A 81 14.957 9.222 -0.268 1.00 62.03 H new ATOM 0 HB2 GLN A 81 14.998 8.108 1.948 1.00 0.23 H new ATOM 0 HB3 GLN A 81 14.109 6.742 1.304 1.00 0.23 H new ATOM 0 HG2 GLN A 81 16.018 6.196 -0.197 1.00 45.44 H new ATOM 0 HG3 GLN A 81 16.906 7.575 0.419 1.00 45.44 H new ATOM 0 HE21 GLN A 81 15.680 4.337 1.164 1.00 63.20 H new ATOM 0 HE22 GLN A 81 16.682 4.072 2.595 1.00 63.20 H new ATOM 1295 N ARG A 82 14.834 7.975 -2.402 1.00 31.24 N ATOM 1296 CA ARG A 82 14.838 7.268 -3.692 1.00 25.22 C ATOM 1297 C ARG A 82 15.870 6.120 -3.634 1.00 24.43 C ATOM 1298 O ARG A 82 17.069 6.376 -3.472 1.00 15.01 O ATOM 1299 CB ARG A 82 15.210 8.236 -4.855 1.00 25.01 C ATOM 1300 CG ARG A 82 14.323 9.494 -5.009 1.00 14.35 C ATOM 1301 CD ARG A 82 14.745 10.336 -6.233 1.00 13.42 C ATOM 1302 NE ARG A 82 13.979 11.588 -6.381 1.00 20.35 N ATOM 1303 CZ ARG A 82 14.039 12.401 -7.452 1.00 35.21 C ATOM 1304 NH1 ARG A 82 14.818 12.104 -8.491 1.00 11.31 N ATOM 1305 NH2 ARG A 82 13.339 13.523 -7.468 1.00 51.21 N ATOM 0 H ARG A 82 15.487 8.758 -2.364 1.00 31.24 H new ATOM 0 HA ARG A 82 13.840 6.872 -3.878 1.00 25.22 H new ATOM 0 HB2 ARG A 82 16.241 8.560 -4.714 1.00 25.01 H new ATOM 0 HB3 ARG A 82 15.176 7.677 -5.790 1.00 25.01 H new ATOM 0 HG2 ARG A 82 13.280 9.195 -5.114 1.00 14.35 H new ATOM 0 HG3 ARG A 82 14.391 10.102 -4.107 1.00 14.35 H new ATOM 0 HD2 ARG A 82 15.805 10.576 -6.150 1.00 13.42 H new ATOM 0 HD3 ARG A 82 14.623 9.737 -7.135 1.00 13.42 H new ATOM 0 HE ARG A 82 13.359 11.857 -5.617 1.00 20.35 H new ATOM 0 HH11 ARG A 82 15.378 11.252 -8.481 1.00 11.31 H new ATOM 0 HH12 ARG A 82 14.854 12.729 -9.296 1.00 11.31 H new ATOM 0 HH21 ARG A 82 12.755 13.771 -6.669 1.00 51.21 H new ATOM 0 HH22 ARG A 82 13.383 14.140 -8.279 1.00 51.21 H new ATOM 1319 N ASN A 83 15.399 4.867 -3.734 1.00 52.52 N ATOM 1320 CA ASN A 83 16.276 3.668 -3.774 1.00 72.51 C ATOM 1321 C ASN A 83 16.357 3.129 -5.209 1.00 21.45 C ATOM 1322 O ASN A 83 15.380 3.238 -5.979 1.00 4.14 O ATOM 1323 CB ASN A 83 15.742 2.539 -2.847 1.00 75.44 C ATOM 1324 CG ASN A 83 15.551 2.949 -1.389 1.00 75.35 C ATOM 1325 OD1 ASN A 83 16.293 3.760 -0.845 1.00 12.11 O ATOM 1326 ND2 ASN A 83 14.535 2.392 -0.753 1.00 4.53 N ATOM 0 H ASN A 83 14.404 4.648 -3.790 1.00 52.52 H new ATOM 0 HA ASN A 83 17.263 3.971 -3.424 1.00 72.51 H new ATOM 0 HB2 ASN A 83 14.788 2.186 -3.239 1.00 75.44 H new ATOM 0 HB3 ASN A 83 16.434 1.698 -2.886 1.00 75.44 H new ATOM 0 HD21 ASN A 83 14.349 2.633 0.220 1.00 4.53 H new ATOM 0 HD22 ASN A 83 13.937 1.721 -1.236 1.00 4.53 H new ATOM 1333 N GLN A 84 17.490 2.487 -5.535 1.00 14.22 N ATOM 1334 CA GLN A 84 17.693 1.823 -6.838 1.00 70.34 C ATOM 1335 C GLN A 84 17.094 0.410 -6.769 1.00 72.23 C ATOM 1336 O GLN A 84 17.113 -0.237 -5.707 1.00 43.03 O ATOM 1337 CB GLN A 84 19.206 1.768 -7.191 1.00 54.24 C ATOM 1338 CG GLN A 84 20.092 1.049 -6.148 1.00 24.34 C ATOM 1339 CD GLN A 84 21.591 1.052 -6.485 1.00 53.13 C ATOM 1340 OE1 GLN A 84 22.430 1.223 -5.606 1.00 70.23 O ATOM 1341 NE2 GLN A 84 21.946 0.762 -7.729 1.00 3.31 N ATOM 0 H GLN A 84 18.290 2.412 -4.907 1.00 14.22 H new ATOM 0 HA GLN A 84 17.193 2.390 -7.623 1.00 70.34 H new ATOM 0 HB2 GLN A 84 19.322 1.267 -8.152 1.00 54.24 H new ATOM 0 HB3 GLN A 84 19.572 2.787 -7.317 1.00 54.24 H new ATOM 0 HG2 GLN A 84 19.948 1.523 -5.177 1.00 24.34 H new ATOM 0 HG3 GLN A 84 19.755 0.017 -6.051 1.00 24.34 H new ATOM 0 HE21 GLN A 84 21.232 0.624 -8.444 1.00 3.31 H new ATOM 0 HE22 GLN A 84 22.933 0.677 -7.971 1.00 3.31 H new ATOM 1350 N SER A 85 16.531 -0.039 -7.894 1.00 31.21 N ATOM 1351 CA SER A 85 15.756 -1.281 -7.947 1.00 61.24 C ATOM 1352 C SER A 85 16.664 -2.514 -7.932 1.00 62.21 C ATOM 1353 O SER A 85 17.636 -2.605 -8.686 1.00 32.12 O ATOM 1354 CB SER A 85 14.827 -1.284 -9.166 1.00 31.22 C ATOM 1355 OG SER A 85 13.906 -2.365 -9.131 1.00 23.42 O ATOM 0 H SER A 85 16.599 0.445 -8.789 1.00 31.21 H new ATOM 0 HA SER A 85 15.139 -1.330 -7.050 1.00 61.24 H new ATOM 0 HB2 SER A 85 14.279 -0.342 -9.207 1.00 31.22 H new ATOM 0 HB3 SER A 85 15.424 -1.345 -10.076 1.00 31.22 H new ATOM 0 HG SER A 85 13.331 -2.331 -9.924 1.00 23.42 H new ATOM 1361 N ASP A 86 16.315 -3.453 -7.058 1.00 43.21 N ATOM 1362 CA ASP A 86 17.066 -4.682 -6.830 1.00 60.11 C ATOM 1363 C ASP A 86 16.052 -5.791 -6.486 1.00 24.31 C ATOM 1364 O ASP A 86 15.225 -5.595 -5.587 1.00 41.43 O ATOM 1365 CB ASP A 86 18.102 -4.454 -5.688 1.00 74.41 C ATOM 1366 CG ASP A 86 18.832 -5.726 -5.226 1.00 73.34 C ATOM 1367 OD1 ASP A 86 19.541 -6.350 -6.044 1.00 24.02 O ATOM 1368 OD2 ASP A 86 18.713 -6.103 -4.042 1.00 43.00 O ATOM 0 H ASP A 86 15.482 -3.378 -6.475 1.00 43.21 H new ATOM 0 HA ASP A 86 17.628 -4.980 -7.715 1.00 60.11 H new ATOM 0 HB2 ASP A 86 18.842 -3.728 -6.025 1.00 74.41 H new ATOM 0 HB3 ASP A 86 17.590 -4.013 -4.833 1.00 74.41 H new ATOM 1373 N PRO A 87 16.073 -6.960 -7.214 1.00 4.05 N ATOM 1374 CA PRO A 87 15.087 -8.065 -7.018 1.00 10.53 C ATOM 1375 C PRO A 87 15.041 -8.590 -5.562 1.00 45.03 C ATOM 1376 O PRO A 87 13.975 -8.965 -5.059 1.00 24.01 O ATOM 1377 CB PRO A 87 15.578 -9.169 -8.011 1.00 14.22 C ATOM 1378 CG PRO A 87 17.001 -8.807 -8.323 1.00 60.44 C ATOM 1379 CD PRO A 87 17.040 -7.299 -8.296 1.00 41.45 C ATOM 0 HA PRO A 87 14.065 -7.735 -7.206 1.00 10.53 H new ATOM 0 HB2 PRO A 87 15.512 -10.160 -7.563 1.00 14.22 H new ATOM 0 HB3 PRO A 87 14.968 -9.187 -8.914 1.00 14.22 H new ATOM 0 HG2 PRO A 87 17.686 -9.232 -7.589 1.00 60.44 H new ATOM 0 HG3 PRO A 87 17.301 -9.191 -9.298 1.00 60.44 H new ATOM 0 HD2 PRO A 87 18.040 -6.925 -8.076 1.00 41.45 H new ATOM 0 HD3 PRO A 87 16.742 -6.870 -9.253 1.00 41.45 H new ATOM 1387 N THR A 88 16.201 -8.574 -4.889 1.00 1.43 N ATOM 1388 CA THR A 88 16.348 -9.109 -3.530 1.00 61.34 C ATOM 1389 C THR A 88 16.172 -8.028 -2.446 1.00 22.10 C ATOM 1390 O THR A 88 16.035 -8.381 -1.275 1.00 10.53 O ATOM 1391 CB THR A 88 17.726 -9.847 -3.389 1.00 63.53 C ATOM 1392 OG1 THR A 88 18.804 -9.023 -3.866 1.00 33.50 O ATOM 1393 CG2 THR A 88 17.744 -11.174 -4.172 1.00 74.42 C ATOM 0 H THR A 88 17.064 -8.189 -5.273 1.00 1.43 H new ATOM 0 HA THR A 88 15.546 -9.829 -3.370 1.00 61.34 H new ATOM 0 HB THR A 88 17.859 -10.055 -2.327 1.00 63.53 H new ATOM 0 HG1 THR A 88 18.547 -8.079 -3.802 1.00 33.50 H new ATOM 0 HG21 THR A 88 18.714 -11.655 -4.050 1.00 74.42 H new ATOM 0 HG22 THR A 88 16.962 -11.832 -3.792 1.00 74.42 H new ATOM 0 HG23 THR A 88 17.568 -10.975 -5.229 1.00 74.42 H new ATOM 1401 N MET A 89 16.139 -6.727 -2.846 1.00 34.34 N ATOM 1402 CA MET A 89 15.901 -5.585 -1.921 1.00 60.31 C ATOM 1403 C MET A 89 14.614 -5.795 -1.119 1.00 22.31 C ATOM 1404 O MET A 89 14.625 -5.735 0.119 1.00 42.32 O ATOM 1405 CB MET A 89 15.831 -4.243 -2.709 1.00 1.02 C ATOM 1406 CG MET A 89 15.403 -3.008 -1.885 1.00 54.44 C ATOM 1407 SD MET A 89 16.446 -2.717 -0.438 1.00 71.34 S ATOM 1408 CE MET A 89 15.687 -1.254 0.289 1.00 32.31 C ATOM 0 H MET A 89 16.276 -6.442 -3.816 1.00 34.34 H new ATOM 0 HA MET A 89 16.738 -5.536 -1.225 1.00 60.31 H new ATOM 0 HB2 MET A 89 16.811 -4.046 -3.144 1.00 1.02 H new ATOM 0 HB3 MET A 89 15.133 -4.365 -3.538 1.00 1.02 H new ATOM 0 HG2 MET A 89 15.428 -2.126 -2.525 1.00 54.44 H new ATOM 0 HG3 MET A 89 14.371 -3.137 -1.560 1.00 54.44 H new ATOM 0 HE1 MET A 89 16.234 -0.969 1.188 1.00 32.31 H new ATOM 0 HE2 MET A 89 15.716 -0.434 -0.429 1.00 32.31 H new ATOM 0 HE3 MET A 89 14.651 -1.472 0.548 1.00 32.31 H new ATOM 1418 N PHE A 90 13.535 -6.108 -1.869 1.00 60.42 N ATOM 1419 CA PHE A 90 12.181 -6.362 -1.341 1.00 12.12 C ATOM 1420 C PHE A 90 12.211 -7.410 -0.202 1.00 52.52 C ATOM 1421 O PHE A 90 11.602 -7.211 0.858 1.00 45.31 O ATOM 1422 CB PHE A 90 11.276 -6.822 -2.515 1.00 22.42 C ATOM 1423 CG PHE A 90 9.814 -7.115 -2.156 1.00 72.14 C ATOM 1424 CD1 PHE A 90 9.415 -8.396 -1.751 1.00 54.03 C ATOM 1425 CD2 PHE A 90 8.834 -6.121 -2.247 1.00 63.34 C ATOM 1426 CE1 PHE A 90 8.095 -8.669 -1.452 1.00 33.02 C ATOM 1427 CE2 PHE A 90 7.511 -6.400 -1.942 1.00 24.20 C ATOM 1428 CZ PHE A 90 7.147 -7.673 -1.547 1.00 22.20 C ATOM 0 H PHE A 90 13.585 -6.193 -2.884 1.00 60.42 H new ATOM 0 HA PHE A 90 11.777 -5.447 -0.909 1.00 12.12 H new ATOM 0 HB2 PHE A 90 11.294 -6.052 -3.286 1.00 22.42 H new ATOM 0 HB3 PHE A 90 11.710 -7.721 -2.953 1.00 22.42 H new ATOM 0 HD1 PHE A 90 10.152 -9.182 -1.672 1.00 54.03 H new ATOM 0 HD2 PHE A 90 9.111 -5.125 -2.558 1.00 63.34 H new ATOM 0 HE1 PHE A 90 7.805 -9.663 -1.144 1.00 33.02 H new ATOM 0 HE2 PHE A 90 6.765 -5.622 -2.013 1.00 24.20 H new ATOM 0 HZ PHE A 90 6.115 -7.889 -1.312 1.00 22.20 H new ATOM 1438 N ASN A 91 12.970 -8.494 -0.429 1.00 22.32 N ATOM 1439 CA ASN A 91 13.087 -9.607 0.525 1.00 4.43 C ATOM 1440 C ASN A 91 13.897 -9.181 1.762 1.00 34.53 C ATOM 1441 O ASN A 91 13.529 -9.540 2.880 1.00 41.31 O ATOM 1442 CB ASN A 91 13.735 -10.834 -0.161 1.00 23.22 C ATOM 1443 CG ASN A 91 13.780 -12.078 0.740 1.00 51.10 C ATOM 1444 OD1 ASN A 91 14.759 -12.314 1.452 1.00 73.42 O ATOM 1445 ND2 ASN A 91 12.723 -12.882 0.720 1.00 10.42 N ATOM 0 H ASN A 91 13.519 -8.623 -1.279 1.00 22.32 H new ATOM 0 HA ASN A 91 12.087 -9.885 0.858 1.00 4.43 H new ATOM 0 HB2 ASN A 91 13.179 -11.070 -1.068 1.00 23.22 H new ATOM 0 HB3 ASN A 91 14.749 -10.578 -0.466 1.00 23.22 H new ATOM 0 HD21 ASN A 91 12.708 -13.719 1.303 1.00 10.42 H new ATOM 0 HD22 ASN A 91 11.927 -12.663 0.122 1.00 10.42 H new ATOM 1452 N LYS A 92 14.985 -8.399 1.538 1.00 12.31 N ATOM 1453 CA LYS A 92 15.899 -7.922 2.614 1.00 32.14 C ATOM 1454 C LYS A 92 15.135 -7.216 3.752 1.00 63.04 C ATOM 1455 O LYS A 92 15.277 -7.595 4.922 1.00 3.24 O ATOM 1456 CB LYS A 92 16.988 -6.960 2.046 1.00 34.23 C ATOM 1457 CG LYS A 92 17.987 -7.624 1.072 1.00 23.41 C ATOM 1458 CD LYS A 92 18.833 -6.594 0.283 1.00 4.52 C ATOM 1459 CE LYS A 92 19.711 -7.249 -0.795 1.00 11.21 C ATOM 1460 NZ LYS A 92 20.372 -6.245 -1.671 1.00 31.51 N ATOM 0 H LYS A 92 15.255 -8.081 0.607 1.00 12.31 H new ATOM 0 HA LYS A 92 16.382 -8.809 3.023 1.00 32.14 H new ATOM 0 HB2 LYS A 92 16.494 -6.135 1.533 1.00 34.23 H new ATOM 0 HB3 LYS A 92 17.544 -6.530 2.879 1.00 34.23 H new ATOM 0 HG2 LYS A 92 18.653 -8.280 1.633 1.00 23.41 H new ATOM 0 HG3 LYS A 92 17.439 -8.252 0.369 1.00 23.41 H new ATOM 0 HD2 LYS A 92 18.169 -5.868 -0.187 1.00 4.52 H new ATOM 0 HD3 LYS A 92 19.468 -6.043 0.977 1.00 4.52 H new ATOM 0 HE2 LYS A 92 20.471 -7.866 -0.316 1.00 11.21 H new ATOM 0 HE3 LYS A 92 19.099 -7.913 -1.405 1.00 11.21 H new ATOM 0 HZ1 LYS A 92 21.335 -6.564 -1.899 1.00 31.51 H new ATOM 0 HZ2 LYS A 92 19.825 -6.137 -2.549 1.00 31.51 H new ATOM 0 HZ3 LYS A 92 20.418 -5.331 -1.178 1.00 31.51 H new ATOM 1474 N ILE A 93 14.316 -6.201 3.414 1.00 74.22 N ATOM 1475 CA ILE A 93 13.594 -5.429 4.447 1.00 54.13 C ATOM 1476 C ILE A 93 12.350 -6.185 4.953 1.00 72.45 C ATOM 1477 O ILE A 93 11.963 -6.024 6.113 1.00 13.10 O ATOM 1478 CB ILE A 93 13.206 -3.965 4.003 1.00 15.44 C ATOM 1479 CG1 ILE A 93 12.062 -3.924 2.931 1.00 72.32 C ATOM 1480 CG2 ILE A 93 14.458 -3.196 3.508 1.00 64.54 C ATOM 1481 CD1 ILE A 93 12.475 -4.119 1.490 1.00 43.03 C ATOM 0 H ILE A 93 14.139 -5.900 2.456 1.00 74.22 H new ATOM 0 HA ILE A 93 14.304 -5.322 5.267 1.00 54.13 H new ATOM 0 HB ILE A 93 12.809 -3.468 4.888 1.00 15.44 H new ATOM 0 HG12 ILE A 93 11.332 -4.693 3.183 1.00 72.32 H new ATOM 0 HG13 ILE A 93 11.554 -2.963 3.012 1.00 72.32 H new ATOM 0 HG21 ILE A 93 14.171 -2.189 3.206 1.00 64.54 H new ATOM 0 HG22 ILE A 93 15.191 -3.138 4.312 1.00 64.54 H new ATOM 0 HG23 ILE A 93 14.894 -3.719 2.657 1.00 64.54 H new ATOM 0 HD11 ILE A 93 11.595 -4.069 0.849 1.00 43.03 H new ATOM 0 HD12 ILE A 93 13.177 -3.336 1.204 1.00 43.03 H new ATOM 0 HD13 ILE A 93 12.952 -5.093 1.377 1.00 43.03 H new ATOM 1493 N ALA A 94 11.739 -7.022 4.081 1.00 11.03 N ATOM 1494 CA ALA A 94 10.565 -7.842 4.454 1.00 73.31 C ATOM 1495 C ALA A 94 10.912 -8.824 5.591 1.00 42.31 C ATOM 1496 O ALA A 94 10.159 -8.946 6.565 1.00 52.12 O ATOM 1497 CB ALA A 94 10.017 -8.592 3.232 1.00 51.35 C ATOM 0 H ALA A 94 12.041 -7.146 3.115 1.00 11.03 H new ATOM 0 HA ALA A 94 9.788 -7.171 4.819 1.00 73.31 H new ATOM 0 HB1 ALA A 94 9.154 -9.189 3.528 1.00 51.35 H new ATOM 0 HB2 ALA A 94 9.717 -7.874 2.469 1.00 51.35 H new ATOM 0 HB3 ALA A 94 10.790 -9.247 2.830 1.00 51.35 H new ATOM 1503 N VAL A 95 12.084 -9.481 5.470 1.00 60.35 N ATOM 1504 CA VAL A 95 12.572 -10.458 6.467 1.00 10.02 C ATOM 1505 C VAL A 95 13.197 -9.739 7.688 1.00 1.33 C ATOM 1506 O VAL A 95 13.298 -10.321 8.770 1.00 43.43 O ATOM 1507 CB VAL A 95 13.601 -11.480 5.830 1.00 41.42 C ATOM 1508 CG1 VAL A 95 14.931 -10.795 5.433 1.00 41.01 C ATOM 1509 CG2 VAL A 95 13.848 -12.701 6.757 1.00 53.05 C ATOM 0 H VAL A 95 12.717 -9.350 4.681 1.00 60.35 H new ATOM 0 HA VAL A 95 11.710 -11.030 6.810 1.00 10.02 H new ATOM 0 HB VAL A 95 13.145 -11.852 4.912 1.00 41.42 H new ATOM 0 HG11 VAL A 95 15.606 -11.534 5.001 1.00 41.01 H new ATOM 0 HG12 VAL A 95 14.733 -10.012 4.701 1.00 41.01 H new ATOM 0 HG13 VAL A 95 15.392 -10.356 6.318 1.00 41.01 H new ATOM 0 HG21 VAL A 95 14.559 -13.378 6.285 1.00 53.05 H new ATOM 0 HG22 VAL A 95 14.251 -12.359 7.710 1.00 53.05 H new ATOM 0 HG23 VAL A 95 12.907 -13.224 6.928 1.00 53.05 H new ATOM 1519 N PHE A 96 13.619 -8.469 7.501 1.00 1.02 N ATOM 1520 CA PHE A 96 14.171 -7.641 8.593 1.00 14.12 C ATOM 1521 C PHE A 96 13.048 -7.099 9.502 1.00 45.15 C ATOM 1522 O PHE A 96 13.271 -6.896 10.696 1.00 21.00 O ATOM 1523 CB PHE A 96 15.017 -6.478 8.017 1.00 63.30 C ATOM 1524 CG PHE A 96 15.826 -5.706 9.066 1.00 34.44 C ATOM 1525 CD1 PHE A 96 16.786 -6.365 9.842 1.00 10.24 C ATOM 1526 CD2 PHE A 96 15.630 -4.341 9.285 1.00 73.40 C ATOM 1527 CE1 PHE A 96 17.522 -5.683 10.792 1.00 72.43 C ATOM 1528 CE2 PHE A 96 16.372 -3.660 10.238 1.00 43.32 C ATOM 1529 CZ PHE A 96 17.315 -4.333 10.991 1.00 43.24 C ATOM 0 H PHE A 96 13.587 -7.994 6.599 1.00 1.02 H new ATOM 0 HA PHE A 96 14.818 -8.272 9.201 1.00 14.12 H new ATOM 0 HB2 PHE A 96 15.702 -6.878 7.269 1.00 63.30 H new ATOM 0 HB3 PHE A 96 14.354 -5.782 7.502 1.00 63.30 H new ATOM 0 HD1 PHE A 96 16.954 -7.422 9.696 1.00 10.24 H new ATOM 0 HD2 PHE A 96 14.891 -3.809 8.705 1.00 73.40 H new ATOM 0 HE1 PHE A 96 18.261 -6.207 11.380 1.00 72.43 H new ATOM 0 HE2 PHE A 96 16.213 -2.603 10.392 1.00 43.32 H new ATOM 0 HZ PHE A 96 17.890 -3.803 11.735 1.00 43.24 H new ATOM 1539 N PHE A 97 11.854 -6.878 8.903 1.00 73.43 N ATOM 1540 CA PHE A 97 10.608 -6.412 9.579 1.00 50.45 C ATOM 1541 C PHE A 97 10.825 -5.244 10.588 1.00 22.24 C ATOM 1542 O PHE A 97 10.347 -5.282 11.728 1.00 31.01 O ATOM 1543 CB PHE A 97 9.779 -7.612 10.191 1.00 73.02 C ATOM 1544 CG PHE A 97 10.491 -8.517 11.218 1.00 11.23 C ATOM 1545 CD1 PHE A 97 10.576 -8.166 12.571 1.00 4.13 C ATOM 1546 CD2 PHE A 97 11.080 -9.721 10.826 1.00 50.54 C ATOM 1547 CE1 PHE A 97 11.211 -8.988 13.486 1.00 1.50 C ATOM 1548 CE2 PHE A 97 11.712 -10.542 11.746 1.00 62.33 C ATOM 1549 CZ PHE A 97 11.784 -10.170 13.072 1.00 70.43 C ATOM 0 H PHE A 97 11.721 -7.022 7.902 1.00 73.43 H new ATOM 0 HA PHE A 97 9.997 -5.975 8.789 1.00 50.45 H new ATOM 0 HB2 PHE A 97 8.889 -7.199 10.666 1.00 73.02 H new ATOM 0 HB3 PHE A 97 9.438 -8.240 9.368 1.00 73.02 H new ATOM 0 HD1 PHE A 97 10.138 -7.237 12.907 1.00 4.13 H new ATOM 0 HD2 PHE A 97 11.042 -10.017 9.788 1.00 50.54 H new ATOM 0 HE1 PHE A 97 11.257 -8.702 14.526 1.00 1.50 H new ATOM 0 HE2 PHE A 97 12.149 -11.476 11.424 1.00 62.33 H new ATOM 0 HZ PHE A 97 12.289 -10.805 13.785 1.00 70.43 H new ATOM 1559 N GLN A 98 11.560 -4.205 10.161 1.00 5.30 N ATOM 1560 CA GLN A 98 11.699 -2.950 10.928 1.00 42.43 C ATOM 1561 C GLN A 98 11.479 -1.774 9.959 1.00 71.21 C ATOM 1562 O GLN A 98 10.314 -1.351 9.783 1.00 65.44 O ATOM 1563 CB GLN A 98 13.088 -2.877 11.631 1.00 52.04 C ATOM 1564 CG GLN A 98 13.274 -1.680 12.595 1.00 73.12 C ATOM 1565 CD GLN A 98 12.304 -1.694 13.784 1.00 50.41 C ATOM 1566 OE1 GLN A 98 11.224 -1.092 13.748 1.00 4.32 O ATOM 1567 NE2 GLN A 98 12.674 -2.404 14.840 1.00 22.32 N ATOM 1568 OXT GLN A 98 12.456 -1.327 9.312 1.00 37.85 O ATOM 0 H GLN A 98 12.073 -4.207 9.280 1.00 5.30 H new ATOM 0 HA GLN A 98 10.954 -2.906 11.722 1.00 42.43 H new ATOM 0 HB2 GLN A 98 13.245 -3.800 12.189 1.00 52.04 H new ATOM 0 HB3 GLN A 98 13.863 -2.831 10.866 1.00 52.04 H new ATOM 0 HG2 GLN A 98 14.297 -1.682 12.971 1.00 73.12 H new ATOM 0 HG3 GLN A 98 13.141 -0.752 12.039 1.00 73.12 H new ATOM 0 HE21 GLN A 98 13.571 -2.889 14.839 1.00 22.32 H new ATOM 0 HE22 GLN A 98 12.062 -2.465 15.653 1.00 22.32 H new TER 1577 GLN A 98 ATOM 1578 N GLY B 1 -5.862 5.624 19.983 1.00 43.02 N ATOM 1579 CA GLY B 1 -6.589 4.543 20.692 1.00 42.45 C ATOM 1580 C GLY B 1 -5.666 3.424 21.143 1.00 63.34 C ATOM 1581 O GLY B 1 -4.948 2.852 20.317 1.00 63.24 O ATOM 0 H1 GLY B 1 -6.534 6.364 19.695 1.00 43.02 H new ATOM 0 H2 GLY B 1 -5.146 6.034 20.616 1.00 43.02 H new ATOM 0 H3 GLY B 1 -5.395 5.233 19.140 1.00 43.02 H new ATOM 0 HA2 GLY B 1 -7.100 4.961 21.559 1.00 42.45 H new ATOM 0 HA3 GLY B 1 -7.357 4.134 20.036 1.00 42.45 H new ATOM 1587 N SER B 2 -5.667 3.121 22.455 1.00 13.05 N ATOM 1588 CA SER B 2 -4.882 2.020 23.024 1.00 75.44 C ATOM 1589 C SER B 2 -5.543 0.670 22.673 1.00 4.03 C ATOM 1590 O SER B 2 -6.610 0.328 23.196 1.00 62.25 O ATOM 1591 CB SER B 2 -4.741 2.200 24.551 1.00 51.41 C ATOM 1592 OG SER B 2 -6.009 2.307 25.185 1.00 71.52 O ATOM 0 H SER B 2 -6.213 3.635 23.146 1.00 13.05 H new ATOM 0 HA SER B 2 -3.880 2.029 22.595 1.00 75.44 H new ATOM 0 HB2 SER B 2 -4.195 1.354 24.969 1.00 51.41 H new ATOM 0 HB3 SER B 2 -4.153 3.094 24.760 1.00 51.41 H new ATOM 0 HG SER B 2 -6.677 1.811 24.667 1.00 71.52 H new ATOM 1598 N MET B 3 -4.926 -0.049 21.734 1.00 73.24 N ATOM 1599 CA MET B 3 -5.397 -1.357 21.238 1.00 31.34 C ATOM 1600 C MET B 3 -4.402 -2.444 21.669 1.00 21.34 C ATOM 1601 O MET B 3 -3.549 -2.201 22.539 1.00 32.33 O ATOM 1602 CB MET B 3 -5.539 -1.274 19.690 1.00 25.51 C ATOM 1603 CG MET B 3 -6.505 -0.177 19.205 1.00 11.33 C ATOM 1604 SD MET B 3 -6.303 0.232 17.456 1.00 44.34 S ATOM 1605 CE MET B 3 -4.608 0.831 17.409 1.00 13.22 C ATOM 0 H MET B 3 -4.066 0.263 21.283 1.00 73.24 H new ATOM 0 HA MET B 3 -6.370 -1.614 21.657 1.00 31.34 H new ATOM 0 HB2 MET B 3 -4.556 -1.096 19.255 1.00 25.51 H new ATOM 0 HB3 MET B 3 -5.883 -2.238 19.315 1.00 25.51 H new ATOM 0 HG2 MET B 3 -7.531 -0.503 19.379 1.00 11.33 H new ATOM 0 HG3 MET B 3 -6.351 0.722 19.801 1.00 11.33 H new ATOM 0 HE1 MET B 3 -4.552 1.714 16.772 1.00 13.22 H new ATOM 0 HE2 MET B 3 -4.285 1.090 18.418 1.00 13.22 H new ATOM 0 HE3 MET B 3 -3.958 0.053 17.008 1.00 13.22 H new ATOM 1615 N GLN B 4 -4.524 -3.651 21.101 1.00 42.35 N ATOM 1616 CA GLN B 4 -3.560 -4.726 21.353 1.00 63.10 C ATOM 1617 C GLN B 4 -2.387 -4.608 20.367 1.00 25.13 C ATOM 1618 O GLN B 4 -2.585 -4.582 19.151 1.00 74.42 O ATOM 1619 CB GLN B 4 -4.244 -6.110 21.248 1.00 70.54 C ATOM 1620 CG GLN B 4 -5.329 -6.356 22.316 1.00 23.45 C ATOM 1621 CD GLN B 4 -4.766 -6.381 23.742 1.00 60.31 C ATOM 1622 OE1 GLN B 4 -4.713 -5.360 24.430 1.00 23.33 O ATOM 1623 NE2 GLN B 4 -4.328 -7.548 24.186 1.00 63.52 N ATOM 0 H GLN B 4 -5.280 -3.906 20.465 1.00 42.35 H new ATOM 0 HA GLN B 4 -3.173 -4.629 22.367 1.00 63.10 H new ATOM 0 HB2 GLN B 4 -4.693 -6.208 20.260 1.00 70.54 H new ATOM 0 HB3 GLN B 4 -3.484 -6.887 21.331 1.00 70.54 H new ATOM 0 HG2 GLN B 4 -6.087 -5.576 22.243 1.00 23.45 H new ATOM 0 HG3 GLN B 4 -5.826 -7.304 22.110 1.00 23.45 H new ATOM 0 HE21 GLN B 4 -4.386 -8.374 23.591 1.00 63.52 H new ATOM 0 HE22 GLN B 4 -3.932 -7.621 25.123 1.00 63.52 H new ATOM 1632 N ASN B 5 -1.168 -4.505 20.917 1.00 61.35 N ATOM 1633 CA ASN B 5 0.085 -4.509 20.128 1.00 53.24 C ATOM 1634 C ASN B 5 0.365 -5.911 19.534 1.00 62.33 C ATOM 1635 O ASN B 5 1.228 -6.058 18.660 1.00 34.53 O ATOM 1636 CB ASN B 5 1.276 -4.039 21.009 1.00 10.33 C ATOM 1637 CG ASN B 5 1.531 -4.918 22.244 1.00 44.12 C ATOM 1638 OD1 ASN B 5 0.611 -5.515 22.812 1.00 31.05 O ATOM 1639 ND2 ASN B 5 2.775 -4.988 22.682 1.00 12.22 N ATOM 0 H ASN B 5 -1.017 -4.416 21.922 1.00 61.35 H new ATOM 0 HA ASN B 5 -0.032 -3.813 19.298 1.00 53.24 H new ATOM 0 HB2 ASN B 5 2.179 -4.018 20.399 1.00 10.33 H new ATOM 0 HB3 ASN B 5 1.090 -3.016 21.337 1.00 10.33 H new ATOM 0 HD21 ASN B 5 2.994 -5.545 23.508 1.00 12.22 H new ATOM 0 HD22 ASN B 5 3.516 -4.485 22.194 1.00 12.22 H new ATOM 1646 N THR B 6 -0.364 -6.921 20.052 1.00 3.24 N ATOM 1647 CA THR B 6 -0.373 -8.305 19.556 1.00 14.22 C ATOM 1648 C THR B 6 -0.626 -8.354 18.026 1.00 42.23 C ATOM 1649 O THR B 6 -1.494 -7.629 17.528 1.00 63.00 O ATOM 1650 CB THR B 6 -1.503 -9.103 20.303 1.00 72.11 C ATOM 1651 OG1 THR B 6 -1.386 -8.890 21.717 1.00 14.54 O ATOM 1652 CG2 THR B 6 -1.436 -10.612 20.020 1.00 30.21 C ATOM 0 H THR B 6 -0.981 -6.787 20.853 1.00 3.24 H new ATOM 0 HA THR B 6 0.602 -8.753 19.749 1.00 14.22 H new ATOM 0 HB THR B 6 -2.460 -8.734 19.933 1.00 72.11 H new ATOM 0 HG1 THR B 6 -2.092 -9.386 22.182 1.00 14.54 H new ATOM 0 HG21 THR B 6 -2.237 -11.119 20.558 1.00 30.21 H new ATOM 0 HG22 THR B 6 -1.550 -10.787 18.950 1.00 30.21 H new ATOM 0 HG23 THR B 6 -0.473 -11.002 20.350 1.00 30.21 H new ATOM 1660 N THR B 7 0.130 -9.209 17.295 1.00 2.52 N ATOM 1661 CA THR B 7 -0.060 -9.405 15.836 1.00 60.32 C ATOM 1662 C THR B 7 -1.486 -9.920 15.532 1.00 2.41 C ATOM 1663 O THR B 7 -2.044 -9.631 14.481 1.00 32.03 O ATOM 1664 CB THR B 7 1.020 -10.376 15.225 1.00 45.43 C ATOM 1665 OG1 THR B 7 0.860 -10.483 13.795 1.00 50.33 O ATOM 1666 CG2 THR B 7 0.971 -11.787 15.848 1.00 22.10 C ATOM 0 H THR B 7 0.879 -9.775 17.693 1.00 2.52 H new ATOM 0 HA THR B 7 0.069 -8.432 15.362 1.00 60.32 H new ATOM 0 HB THR B 7 1.991 -9.940 15.459 1.00 45.43 H new ATOM 0 HG1 THR B 7 1.541 -11.089 13.434 1.00 50.33 H new ATOM 0 HG21 THR B 7 1.736 -12.414 15.390 1.00 22.10 H new ATOM 0 HG22 THR B 7 1.153 -11.718 16.920 1.00 22.10 H new ATOM 0 HG23 THR B 7 -0.011 -12.228 15.674 1.00 22.10 H new ATOM 1674 N HIS B 8 -2.081 -10.635 16.501 1.00 31.13 N ATOM 1675 CA HIS B 8 -3.443 -11.195 16.391 1.00 23.42 C ATOM 1676 C HIS B 8 -4.537 -10.144 16.725 1.00 63.12 C ATOM 1677 O HIS B 8 -5.681 -10.504 17.002 1.00 14.14 O ATOM 1678 CB HIS B 8 -3.545 -12.443 17.309 1.00 4.20 C ATOM 1679 CG HIS B 8 -2.594 -13.550 16.916 1.00 63.21 C ATOM 1680 ND1 HIS B 8 -1.594 -14.033 17.738 1.00 41.24 N ATOM 1681 CD2 HIS B 8 -2.494 -14.258 15.767 1.00 25.10 C ATOM 1682 CE1 HIS B 8 -0.927 -14.982 17.108 1.00 22.21 C ATOM 1683 NE2 HIS B 8 -1.455 -15.134 15.916 1.00 41.34 N ATOM 0 H HIS B 8 -1.629 -10.844 17.391 1.00 31.13 H new ATOM 0 HA HIS B 8 -3.622 -11.491 15.357 1.00 23.42 H new ATOM 0 HB2 HIS B 8 -3.342 -12.147 18.338 1.00 4.20 H new ATOM 0 HB3 HIS B 8 -4.566 -12.823 17.282 1.00 4.20 H new ATOM 0 HD2 HIS B 8 -3.120 -14.151 14.893 1.00 25.10 H new ATOM 0 HE1 HIS B 8 -0.091 -15.538 17.505 1.00 22.21 H new ATOM 0 HE2 HIS B 8 -1.140 -15.801 15.212 1.00 41.34 H new ATOM 1692 N ASP B 9 -4.180 -8.845 16.697 1.00 23.23 N ATOM 1693 CA ASP B 9 -5.157 -7.733 16.771 1.00 31.11 C ATOM 1694 C ASP B 9 -5.540 -7.312 15.351 1.00 32.05 C ATOM 1695 O ASP B 9 -6.723 -7.171 15.025 1.00 64.01 O ATOM 1696 CB ASP B 9 -4.552 -6.536 17.541 1.00 43.43 C ATOM 1697 CG ASP B 9 -5.538 -5.361 17.743 1.00 44.23 C ATOM 1698 OD1 ASP B 9 -6.412 -5.462 18.640 1.00 54.00 O ATOM 1699 OD2 ASP B 9 -5.448 -4.347 17.019 1.00 74.22 O ATOM 0 H ASP B 9 -3.211 -8.534 16.623 1.00 23.23 H new ATOM 0 HA ASP B 9 -6.047 -8.065 17.305 1.00 31.11 H new ATOM 0 HB2 ASP B 9 -4.207 -6.880 18.516 1.00 43.43 H new ATOM 0 HB3 ASP B 9 -3.676 -6.175 17.002 1.00 43.43 H new ATOM 1704 N ASN B 10 -4.511 -7.142 14.506 1.00 62.12 N ATOM 1705 CA ASN B 10 -4.682 -6.787 13.090 1.00 71.51 C ATOM 1706 C ASN B 10 -5.086 -8.033 12.287 1.00 44.21 C ATOM 1707 O ASN B 10 -4.590 -9.129 12.534 1.00 71.34 O ATOM 1708 CB ASN B 10 -3.383 -6.153 12.506 1.00 35.15 C ATOM 1709 CG ASN B 10 -2.147 -7.065 12.588 1.00 62.02 C ATOM 1710 OD1 ASN B 10 -1.397 -7.031 13.564 1.00 72.20 O ATOM 1711 ND2 ASN B 10 -1.925 -7.889 11.568 1.00 1.32 N ATOM 0 H ASN B 10 -3.536 -7.247 14.787 1.00 62.12 H new ATOM 0 HA ASN B 10 -5.474 -6.042 13.014 1.00 71.51 H new ATOM 0 HB2 ASN B 10 -3.558 -5.889 11.463 1.00 35.15 H new ATOM 0 HB3 ASN B 10 -3.173 -5.226 13.039 1.00 35.15 H new ATOM 0 HD21 ASN B 10 -1.118 -8.513 11.582 1.00 1.32 H new ATOM 0 HD22 ASN B 10 -2.562 -7.897 10.771 1.00 1.32 H new ATOM 1718 N VAL B 11 -5.993 -7.839 11.329 1.00 4.22 N ATOM 1719 CA VAL B 11 -6.493 -8.889 10.434 1.00 53.54 C ATOM 1720 C VAL B 11 -5.823 -8.713 9.077 1.00 23.33 C ATOM 1721 O VAL B 11 -5.422 -7.601 8.713 1.00 54.22 O ATOM 1722 CB VAL B 11 -8.062 -8.872 10.280 1.00 30.31 C ATOM 1723 CG1 VAL B 11 -8.747 -9.026 11.657 1.00 54.22 C ATOM 1724 CG2 VAL B 11 -8.573 -7.610 9.531 1.00 14.23 C ATOM 0 H VAL B 11 -6.412 -6.927 11.148 1.00 4.22 H new ATOM 0 HA VAL B 11 -6.246 -9.857 10.869 1.00 53.54 H new ATOM 0 HB VAL B 11 -8.334 -9.728 9.662 1.00 30.31 H new ATOM 0 HG11 VAL B 11 -9.829 -9.012 11.529 1.00 54.22 H new ATOM 0 HG12 VAL B 11 -8.448 -9.972 12.109 1.00 54.22 H new ATOM 0 HG13 VAL B 11 -8.448 -8.203 12.306 1.00 54.22 H new ATOM 0 HG21 VAL B 11 -9.659 -7.649 9.452 1.00 14.23 H new ATOM 0 HG22 VAL B 11 -8.281 -6.716 10.082 1.00 14.23 H new ATOM 0 HG23 VAL B 11 -8.138 -7.579 8.532 1.00 14.23 H new ATOM 1734 N ILE B 12 -5.678 -9.819 8.351 1.00 22.12 N ATOM 1735 CA ILE B 12 -4.896 -9.856 7.112 1.00 12.32 C ATOM 1736 C ILE B 12 -5.870 -9.948 5.918 1.00 63.22 C ATOM 1737 O ILE B 12 -6.215 -11.034 5.463 1.00 44.53 O ATOM 1738 CB ILE B 12 -3.907 -11.091 7.163 1.00 63.32 C ATOM 1739 CG1 ILE B 12 -3.208 -11.211 8.547 1.00 50.15 C ATOM 1740 CG2 ILE B 12 -2.841 -11.024 6.066 1.00 62.24 C ATOM 1741 CD1 ILE B 12 -2.257 -10.088 8.917 1.00 60.13 C ATOM 0 H ILE B 12 -6.097 -10.714 8.602 1.00 22.12 H new ATOM 0 HA ILE B 12 -4.297 -8.953 6.997 1.00 12.32 H new ATOM 0 HB ILE B 12 -4.523 -11.974 6.996 1.00 63.32 H new ATOM 0 HG12 ILE B 12 -3.978 -11.275 9.315 1.00 50.15 H new ATOM 0 HG13 ILE B 12 -2.655 -12.150 8.571 1.00 50.15 H new ATOM 0 HG21 ILE B 12 -2.186 -11.892 6.141 1.00 62.24 H new ATOM 0 HG22 ILE B 12 -3.324 -11.018 5.089 1.00 62.24 H new ATOM 0 HG23 ILE B 12 -2.253 -10.114 6.186 1.00 62.24 H new ATOM 0 HD11 ILE B 12 -1.831 -10.281 9.902 1.00 60.13 H new ATOM 0 HD12 ILE B 12 -1.456 -10.032 8.180 1.00 60.13 H new ATOM 0 HD13 ILE B 12 -2.800 -9.143 8.936 1.00 60.13 H new ATOM 1753 N LEU B 13 -6.342 -8.792 5.440 1.00 72.35 N ATOM 1754 CA LEU B 13 -7.371 -8.733 4.378 1.00 32.14 C ATOM 1755 C LEU B 13 -6.712 -8.632 3.003 1.00 74.23 C ATOM 1756 O LEU B 13 -6.264 -7.546 2.626 1.00 12.21 O ATOM 1757 CB LEU B 13 -8.310 -7.514 4.605 1.00 24.10 C ATOM 1758 CG LEU B 13 -9.117 -7.513 5.936 1.00 41.15 C ATOM 1759 CD1 LEU B 13 -9.924 -6.209 6.107 1.00 34.13 C ATOM 1760 CD2 LEU B 13 -10.030 -8.756 6.040 1.00 63.20 C ATOM 0 H LEU B 13 -6.031 -7.878 5.768 1.00 72.35 H new ATOM 0 HA LEU B 13 -7.962 -9.648 4.419 1.00 32.14 H new ATOM 0 HB2 LEU B 13 -7.709 -6.606 4.567 1.00 24.10 H new ATOM 0 HB3 LEU B 13 -9.015 -7.464 3.775 1.00 24.10 H new ATOM 0 HG LEU B 13 -8.398 -7.562 6.754 1.00 41.15 H new ATOM 0 HD11 LEU B 13 -10.475 -6.243 7.047 1.00 34.13 H new ATOM 0 HD12 LEU B 13 -9.243 -5.358 6.116 1.00 34.13 H new ATOM 0 HD13 LEU B 13 -10.625 -6.104 5.279 1.00 34.13 H new ATOM 0 HD21 LEU B 13 -10.580 -8.726 6.981 1.00 63.20 H new ATOM 0 HD22 LEU B 13 -10.734 -8.761 5.208 1.00 63.20 H new ATOM 0 HD23 LEU B 13 -9.421 -9.659 6.005 1.00 63.20 H new ATOM 1772 N GLU B 14 -6.621 -9.750 2.248 1.00 60.42 N ATOM 1773 CA GLU B 14 -6.099 -9.687 0.875 1.00 11.44 C ATOM 1774 C GLU B 14 -7.247 -9.537 -0.110 1.00 14.32 C ATOM 1775 O GLU B 14 -8.313 -10.133 0.054 1.00 3.25 O ATOM 1776 CB GLU B 14 -5.189 -10.881 0.483 1.00 25.30 C ATOM 1777 CG GLU B 14 -5.867 -12.248 0.275 1.00 51.41 C ATOM 1778 CD GLU B 14 -4.889 -13.301 -0.274 1.00 55.24 C ATOM 1779 OE1 GLU B 14 -4.655 -13.335 -1.509 1.00 32.22 O ATOM 1780 OE2 GLU B 14 -4.329 -14.086 0.527 1.00 34.22 O ATOM 0 H GLU B 14 -6.896 -10.681 2.560 1.00 60.42 H new ATOM 0 HA GLU B 14 -5.455 -8.809 0.834 1.00 11.44 H new ATOM 0 HB2 GLU B 14 -4.668 -10.620 -0.438 1.00 25.30 H new ATOM 0 HB3 GLU B 14 -4.430 -10.995 1.257 1.00 25.30 H new ATOM 0 HG2 GLU B 14 -6.279 -12.596 1.222 1.00 51.41 H new ATOM 0 HG3 GLU B 14 -6.704 -12.136 -0.415 1.00 51.41 H new ATOM 1787 N LEU B 15 -7.030 -8.705 -1.121 1.00 35.13 N ATOM 1788 CA LEU B 15 -7.960 -8.533 -2.229 1.00 60.32 C ATOM 1789 C LEU B 15 -7.179 -8.582 -3.536 1.00 60.11 C ATOM 1790 O LEU B 15 -6.194 -7.854 -3.711 1.00 22.41 O ATOM 1791 CB LEU B 15 -8.826 -7.229 -2.061 1.00 2.41 C ATOM 1792 CG LEU B 15 -8.200 -6.030 -1.251 1.00 25.44 C ATOM 1793 CD1 LEU B 15 -7.017 -5.358 -1.983 1.00 15.23 C ATOM 1794 CD2 LEU B 15 -9.282 -4.992 -0.874 1.00 3.40 C ATOM 0 H LEU B 15 -6.194 -8.125 -1.195 1.00 35.13 H new ATOM 0 HA LEU B 15 -8.683 -9.349 -2.240 1.00 60.32 H new ATOM 0 HB2 LEU B 15 -9.079 -6.865 -3.057 1.00 2.41 H new ATOM 0 HB3 LEU B 15 -9.762 -7.508 -1.576 1.00 2.41 H new ATOM 0 HG LEU B 15 -7.792 -6.456 -0.335 1.00 25.44 H new ATOM 0 HD11 LEU B 15 -6.630 -4.541 -1.375 1.00 15.23 H new ATOM 0 HD12 LEU B 15 -6.228 -6.092 -2.150 1.00 15.23 H new ATOM 0 HD13 LEU B 15 -7.357 -4.967 -2.942 1.00 15.23 H new ATOM 0 HD21 LEU B 15 -8.824 -4.175 -0.316 1.00 3.40 H new ATOM 0 HD22 LEU B 15 -9.741 -4.599 -1.781 1.00 3.40 H new ATOM 0 HD23 LEU B 15 -10.045 -5.469 -0.259 1.00 3.40 H new ATOM 1806 N THR B 16 -7.616 -9.468 -4.435 1.00 4.54 N ATOM 1807 CA THR B 16 -7.035 -9.603 -5.757 1.00 42.24 C ATOM 1808 C THR B 16 -7.702 -8.571 -6.646 1.00 75.43 C ATOM 1809 O THR B 16 -8.823 -8.765 -7.123 1.00 20.13 O ATOM 1810 CB THR B 16 -7.235 -11.032 -6.364 1.00 51.32 C ATOM 1811 OG1 THR B 16 -6.566 -12.003 -5.542 1.00 75.20 O ATOM 1812 CG2 THR B 16 -6.699 -11.108 -7.815 1.00 34.23 C ATOM 0 H THR B 16 -8.387 -10.111 -4.257 1.00 4.54 H new ATOM 0 HA THR B 16 -5.958 -9.448 -5.688 1.00 42.24 H new ATOM 0 HB THR B 16 -8.303 -11.246 -6.390 1.00 51.32 H new ATOM 0 HG1 THR B 16 -6.694 -12.897 -5.922 1.00 75.20 H new ATOM 0 HG21 THR B 16 -6.853 -12.113 -8.208 1.00 34.23 H new ATOM 0 HG22 THR B 16 -7.232 -10.390 -8.438 1.00 34.23 H new ATOM 0 HG23 THR B 16 -5.634 -10.875 -7.822 1.00 34.23 H new ATOM 1820 N VAL B 17 -7.041 -7.431 -6.770 1.00 72.53 N ATOM 1821 CA VAL B 17 -7.465 -6.371 -7.660 1.00 33.10 C ATOM 1822 C VAL B 17 -6.636 -6.442 -8.939 1.00 44.24 C ATOM 1823 O VAL B 17 -5.488 -6.886 -8.922 1.00 5.23 O ATOM 1824 CB VAL B 17 -7.325 -4.955 -6.993 1.00 52.43 C ATOM 1825 CG1 VAL B 17 -8.071 -4.901 -5.635 1.00 51.32 C ATOM 1826 CG2 VAL B 17 -5.848 -4.513 -6.840 1.00 40.21 C ATOM 0 H VAL B 17 -6.190 -7.217 -6.251 1.00 72.53 H new ATOM 0 HA VAL B 17 -8.521 -6.511 -7.889 1.00 33.10 H new ATOM 0 HB VAL B 17 -7.796 -4.241 -7.669 1.00 52.43 H new ATOM 0 HG11 VAL B 17 -7.957 -3.910 -5.196 1.00 51.32 H new ATOM 0 HG12 VAL B 17 -9.129 -5.108 -5.793 1.00 51.32 H new ATOM 0 HG13 VAL B 17 -7.652 -5.647 -4.960 1.00 51.32 H new ATOM 0 HG21 VAL B 17 -5.809 -3.528 -6.374 1.00 40.21 H new ATOM 0 HG22 VAL B 17 -5.316 -5.231 -6.216 1.00 40.21 H new ATOM 0 HG23 VAL B 17 -5.378 -4.468 -7.822 1.00 40.21 H new ATOM 1836 N ARG B 18 -7.225 -6.037 -10.051 1.00 21.32 N ATOM 1837 CA ARG B 18 -6.470 -5.794 -11.287 1.00 31.32 C ATOM 1838 C ARG B 18 -6.151 -4.298 -11.356 1.00 21.14 C ATOM 1839 O ARG B 18 -6.937 -3.486 -10.845 1.00 65.20 O ATOM 1840 CB ARG B 18 -7.247 -6.321 -12.511 1.00 12.42 C ATOM 1841 CG ARG B 18 -8.645 -5.736 -12.743 1.00 54.31 C ATOM 1842 CD ARG B 18 -9.414 -6.486 -13.845 1.00 62.22 C ATOM 1843 NE ARG B 18 -8.616 -6.659 -15.077 1.00 20.41 N ATOM 1844 CZ ARG B 18 -9.059 -7.195 -16.227 1.00 51.21 C ATOM 1845 NH1 ARG B 18 -10.314 -7.628 -16.359 1.00 55.42 N ATOM 1846 NH2 ARG B 18 -8.205 -7.360 -17.219 1.00 20.21 N ATOM 0 H ARG B 18 -8.227 -5.866 -10.132 1.00 21.32 H new ATOM 0 HA ARG B 18 -5.527 -6.341 -11.291 1.00 31.32 H new ATOM 0 HB2 ARG B 18 -6.647 -6.133 -13.402 1.00 12.42 H new ATOM 0 HB3 ARG B 18 -7.342 -7.402 -12.414 1.00 12.42 H new ATOM 0 HG2 ARG B 18 -9.213 -5.777 -11.814 1.00 54.31 H new ATOM 0 HG3 ARG B 18 -8.556 -4.684 -13.016 1.00 54.31 H new ATOM 0 HD2 ARG B 18 -9.715 -7.465 -13.471 1.00 62.22 H new ATOM 0 HD3 ARG B 18 -10.327 -5.940 -14.082 1.00 62.22 H new ATOM 0 HE ARG B 18 -7.646 -6.345 -15.052 1.00 20.41 H new ATOM 0 HH11 ARG B 18 -10.963 -7.556 -15.576 1.00 55.42 H new ATOM 0 HH12 ARG B 18 -10.624 -8.031 -17.243 1.00 55.42 H new ATOM 0 HH21 ARG B 18 -7.230 -7.083 -17.104 1.00 20.21 H new ATOM 0 HH22 ARG B 18 -8.520 -7.765 -18.101 1.00 20.21 H new ATOM 1860 N ASN B 19 -4.992 -3.943 -11.950 1.00 62.50 N ATOM 1861 CA ASN B 19 -4.392 -2.598 -11.803 1.00 30.12 C ATOM 1862 C ASN B 19 -5.172 -1.537 -12.635 1.00 32.10 C ATOM 1863 O ASN B 19 -4.827 -1.217 -13.777 1.00 0.32 O ATOM 1864 CB ASN B 19 -2.863 -2.635 -12.154 1.00 5.15 C ATOM 1865 CG ASN B 19 -2.059 -1.443 -11.580 1.00 23.21 C ATOM 1866 OD1 ASN B 19 -2.580 -0.341 -11.411 1.00 53.21 O ATOM 1867 ND2 ASN B 19 -0.780 -1.652 -11.272 1.00 43.24 N ATOM 0 H ASN B 19 -4.449 -4.574 -12.540 1.00 62.50 H new ATOM 0 HA ASN B 19 -4.475 -2.292 -10.760 1.00 30.12 H new ATOM 0 HB2 ASN B 19 -2.436 -3.564 -11.777 1.00 5.15 H new ATOM 0 HB3 ASN B 19 -2.749 -2.649 -13.238 1.00 5.15 H new ATOM 0 HD21 ASN B 19 -0.217 -0.892 -10.890 1.00 43.24 H new ATOM 0 HD22 ASN B 19 -0.364 -2.572 -11.418 1.00 43.24 H new ATOM 1874 N HIS B 20 -6.287 -1.079 -12.033 1.00 54.52 N ATOM 1875 CA HIS B 20 -7.120 0.052 -12.504 1.00 50.32 C ATOM 1876 C HIS B 20 -6.502 1.393 -12.032 1.00 3.14 C ATOM 1877 O HIS B 20 -5.642 1.373 -11.138 1.00 45.11 O ATOM 1878 CB HIS B 20 -8.568 -0.087 -11.932 1.00 4.20 C ATOM 1879 CG HIS B 20 -9.407 -1.156 -12.567 1.00 21.41 C ATOM 1880 ND1 HIS B 20 -10.205 -0.926 -13.661 1.00 55.30 N ATOM 1881 CD2 HIS B 20 -9.595 -2.451 -12.246 1.00 25.33 C ATOM 1882 CE1 HIS B 20 -10.842 -2.029 -13.982 1.00 23.35 C ATOM 1883 NE2 HIS B 20 -10.491 -2.972 -13.139 1.00 42.02 N ATOM 0 H HIS B 20 -6.647 -1.499 -11.176 1.00 54.52 H new ATOM 0 HA HIS B 20 -7.158 0.038 -13.593 1.00 50.32 H new ATOM 0 HB2 HIS B 20 -8.501 -0.288 -10.863 1.00 4.20 H new ATOM 0 HB3 HIS B 20 -9.079 0.869 -12.046 1.00 4.20 H new ATOM 0 HD2 HIS B 20 -9.124 -2.981 -11.432 1.00 25.33 H new ATOM 0 HE1 HIS B 20 -11.537 -2.141 -14.801 1.00 23.35 H new ATOM 0 HE2 HIS B 20 -10.830 -3.934 -13.148 1.00 42.02 H new ATOM 1892 N PRO B 21 -6.917 2.571 -12.625 1.00 43.42 N ATOM 1893 CA PRO B 21 -6.449 3.909 -12.181 1.00 45.15 C ATOM 1894 C PRO B 21 -6.588 4.142 -10.653 1.00 33.43 C ATOM 1895 O PRO B 21 -7.689 4.397 -10.145 1.00 62.21 O ATOM 1896 CB PRO B 21 -7.336 4.889 -12.996 1.00 4.34 C ATOM 1897 CG PRO B 21 -7.666 4.133 -14.249 1.00 51.01 C ATOM 1898 CD PRO B 21 -7.822 2.690 -13.813 1.00 51.42 C ATOM 0 HA PRO B 21 -5.381 4.040 -12.357 1.00 45.15 H new ATOM 0 HB2 PRO B 21 -8.237 5.161 -12.446 1.00 4.34 H new ATOM 0 HB3 PRO B 21 -6.806 5.815 -13.218 1.00 4.34 H new ATOM 0 HG2 PRO B 21 -8.582 4.508 -14.705 1.00 51.01 H new ATOM 0 HG3 PRO B 21 -6.875 4.237 -14.991 1.00 51.01 H new ATOM 0 HD2 PRO B 21 -8.855 2.461 -13.552 1.00 51.42 H new ATOM 0 HD3 PRO B 21 -7.533 2.000 -14.606 1.00 51.42 H new ATOM 1906 N GLY B 22 -5.450 3.991 -9.945 1.00 44.54 N ATOM 1907 CA GLY B 22 -5.335 4.301 -8.524 1.00 15.33 C ATOM 1908 C GLY B 22 -6.209 3.439 -7.622 1.00 3.21 C ATOM 1909 O GLY B 22 -6.936 3.970 -6.777 1.00 1.41 O ATOM 0 H GLY B 22 -4.583 3.647 -10.357 1.00 44.54 H new ATOM 0 HA2 GLY B 22 -4.294 4.184 -8.222 1.00 15.33 H new ATOM 0 HA3 GLY B 22 -5.596 5.348 -8.370 1.00 15.33 H new ATOM 1913 N VAL B 23 -6.138 2.097 -7.787 1.00 3.33 N ATOM 1914 CA VAL B 23 -6.865 1.152 -6.901 1.00 12.12 C ATOM 1915 C VAL B 23 -6.406 1.315 -5.443 1.00 71.25 C ATOM 1916 O VAL B 23 -7.181 1.162 -4.505 1.00 13.03 O ATOM 1917 CB VAL B 23 -6.668 -0.354 -7.287 1.00 10.12 C ATOM 1918 CG1 VAL B 23 -7.660 -1.234 -6.501 1.00 74.51 C ATOM 1919 CG2 VAL B 23 -6.802 -0.589 -8.792 1.00 64.03 C ATOM 0 H VAL B 23 -5.590 1.645 -8.519 1.00 3.33 H new ATOM 0 HA VAL B 23 -7.918 1.404 -7.023 1.00 12.12 H new ATOM 0 HB VAL B 23 -5.650 -0.635 -7.016 1.00 10.12 H new ATOM 0 HG11 VAL B 23 -7.516 -2.279 -6.776 1.00 74.51 H new ATOM 0 HG12 VAL B 23 -7.486 -1.112 -5.432 1.00 74.51 H new ATOM 0 HG13 VAL B 23 -8.680 -0.934 -6.739 1.00 74.51 H new ATOM 0 HG21 VAL B 23 -6.657 -1.647 -9.009 1.00 64.03 H new ATOM 0 HG22 VAL B 23 -7.795 -0.283 -9.121 1.00 64.03 H new ATOM 0 HG23 VAL B 23 -6.049 -0.004 -9.320 1.00 64.03 H new ATOM 1929 N MET B 24 -5.127 1.638 -5.300 1.00 11.43 N ATOM 1930 CA MET B 24 -4.457 1.797 -4.012 1.00 72.21 C ATOM 1931 C MET B 24 -5.076 2.964 -3.216 1.00 41.14 C ATOM 1932 O MET B 24 -5.163 2.910 -1.991 1.00 13.53 O ATOM 1933 CB MET B 24 -2.947 2.012 -4.262 1.00 63.33 C ATOM 1934 CG MET B 24 -2.265 0.881 -5.053 1.00 73.22 C ATOM 1935 SD MET B 24 -2.852 0.729 -6.762 1.00 60.45 S ATOM 1936 CE MET B 24 -2.111 -0.823 -7.266 1.00 41.55 C ATOM 0 H MET B 24 -4.510 1.801 -6.096 1.00 11.43 H new ATOM 0 HA MET B 24 -4.590 0.898 -3.410 1.00 72.21 H new ATOM 0 HB2 MET B 24 -2.810 2.949 -4.801 1.00 63.33 H new ATOM 0 HB3 MET B 24 -2.444 2.121 -3.301 1.00 63.33 H new ATOM 0 HG2 MET B 24 -1.189 1.054 -5.062 1.00 73.22 H new ATOM 0 HG3 MET B 24 -2.432 -0.064 -4.536 1.00 73.22 H new ATOM 0 HE1 MET B 24 -2.159 -0.914 -8.351 1.00 41.55 H new ATOM 0 HE2 MET B 24 -1.070 -0.850 -6.945 1.00 41.55 H new ATOM 0 HE3 MET B 24 -2.653 -1.651 -6.809 1.00 41.55 H new ATOM 1946 N THR B 25 -5.532 4.000 -3.943 1.00 31.23 N ATOM 1947 CA THR B 25 -6.272 5.133 -3.361 1.00 14.44 C ATOM 1948 C THR B 25 -7.678 4.678 -2.902 1.00 63.54 C ATOM 1949 O THR B 25 -8.175 5.128 -1.862 1.00 33.13 O ATOM 1950 CB THR B 25 -6.394 6.301 -4.401 1.00 24.15 C ATOM 1951 OG1 THR B 25 -5.114 6.538 -5.005 1.00 64.51 O ATOM 1952 CG2 THR B 25 -6.890 7.609 -3.759 1.00 25.43 C ATOM 0 H THR B 25 -5.397 4.075 -4.951 1.00 31.23 H new ATOM 0 HA THR B 25 -5.721 5.496 -2.494 1.00 14.44 H new ATOM 0 HB THR B 25 -7.127 5.995 -5.147 1.00 24.15 H new ATOM 0 HG1 THR B 25 -5.189 7.266 -5.656 1.00 64.51 H new ATOM 0 HG21 THR B 25 -6.957 8.386 -4.521 1.00 25.43 H new ATOM 0 HG22 THR B 25 -7.874 7.448 -3.318 1.00 25.43 H new ATOM 0 HG23 THR B 25 -6.191 7.921 -2.983 1.00 25.43 H new ATOM 1960 N HIS B 26 -8.290 3.760 -3.690 1.00 72.30 N ATOM 1961 CA HIS B 26 -9.644 3.225 -3.420 1.00 60.35 C ATOM 1962 C HIS B 26 -9.648 2.403 -2.120 1.00 63.11 C ATOM 1963 O HIS B 26 -10.435 2.688 -1.213 1.00 71.40 O ATOM 1964 CB HIS B 26 -10.168 2.342 -4.596 1.00 55.20 C ATOM 1965 CG HIS B 26 -10.146 2.994 -5.962 1.00 65.53 C ATOM 1966 ND1 HIS B 26 -10.208 2.277 -7.140 1.00 2.11 N ATOM 1967 CD2 HIS B 26 -10.050 4.294 -6.335 1.00 21.15 C ATOM 1968 CE1 HIS B 26 -10.141 3.106 -8.166 1.00 53.53 C ATOM 1969 NE2 HIS B 26 -10.046 4.333 -7.704 1.00 65.14 N ATOM 0 H HIS B 26 -7.858 3.372 -4.529 1.00 72.30 H new ATOM 0 HA HIS B 26 -10.311 4.080 -3.315 1.00 60.35 H new ATOM 0 HB2 HIS B 26 -9.570 1.432 -4.638 1.00 55.20 H new ATOM 0 HB3 HIS B 26 -11.192 2.041 -4.373 1.00 55.20 H new ATOM 0 HD2 HIS B 26 -9.988 5.145 -5.673 1.00 21.15 H new ATOM 0 HE1 HIS B 26 -10.161 2.824 -9.208 1.00 53.53 H new ATOM 0 HE2 HIS B 26 -9.980 5.177 -8.273 1.00 65.14 H new ATOM 1978 N VAL B 27 -8.730 1.406 -2.035 1.00 0.43 N ATOM 1979 CA VAL B 27 -8.672 0.467 -0.900 1.00 3.25 C ATOM 1980 C VAL B 27 -8.429 1.227 0.417 1.00 3.11 C ATOM 1981 O VAL B 27 -9.185 1.067 1.379 1.00 34.33 O ATOM 1982 CB VAL B 27 -7.598 -0.689 -1.117 1.00 73.20 C ATOM 1983 CG1 VAL B 27 -7.853 -1.448 -2.446 1.00 2.12 C ATOM 1984 CG2 VAL B 27 -6.134 -0.184 -1.062 1.00 75.14 C ATOM 0 H VAL B 27 -8.019 1.237 -2.747 1.00 0.43 H new ATOM 0 HA VAL B 27 -9.641 -0.028 -0.838 1.00 3.25 H new ATOM 0 HB VAL B 27 -7.728 -1.376 -0.281 1.00 73.20 H new ATOM 0 HG11 VAL B 27 -7.105 -2.231 -2.567 1.00 2.12 H new ATOM 0 HG12 VAL B 27 -8.847 -1.896 -2.424 1.00 2.12 H new ATOM 0 HG13 VAL B 27 -7.787 -0.751 -3.281 1.00 2.12 H new ATOM 0 HG21 VAL B 27 -5.454 -1.022 -1.217 1.00 75.14 H new ATOM 0 HG22 VAL B 27 -5.976 0.561 -1.842 1.00 75.14 H new ATOM 0 HG23 VAL B 27 -5.940 0.265 -0.088 1.00 75.14 H new ATOM 1994 N CYS B 28 -7.447 2.145 0.386 1.00 31.10 N ATOM 1995 CA CYS B 28 -7.045 2.955 1.537 1.00 61.44 C ATOM 1996 C CYS B 28 -8.165 3.920 1.960 1.00 64.21 C ATOM 1997 O CYS B 28 -8.277 4.251 3.142 1.00 12.05 O ATOM 1998 CB CYS B 28 -5.754 3.702 1.179 1.00 15.44 C ATOM 1999 SG CYS B 28 -4.388 2.595 0.767 1.00 53.30 S ATOM 0 H CYS B 28 -6.905 2.344 -0.455 1.00 31.10 H new ATOM 0 HA CYS B 28 -6.859 2.309 2.395 1.00 61.44 H new ATOM 0 HB2 CYS B 28 -5.946 4.363 0.334 1.00 15.44 H new ATOM 0 HB3 CYS B 28 -5.462 4.334 2.018 1.00 15.44 H new ATOM 0 HG CYS B 28 -4.276 2.506 -0.525 1.00 53.30 H new ATOM 2005 N GLY B 29 -8.996 4.333 0.978 1.00 12.34 N ATOM 2006 CA GLY B 29 -10.174 5.159 1.238 1.00 1.10 C ATOM 2007 C GLY B 29 -11.211 4.452 2.106 1.00 62.41 C ATOM 2008 O GLY B 29 -11.784 5.067 3.012 1.00 22.35 O ATOM 0 H GLY B 29 -8.863 4.100 -0.006 1.00 12.34 H new ATOM 0 HA2 GLY B 29 -9.864 6.082 1.729 1.00 1.10 H new ATOM 0 HA3 GLY B 29 -10.632 5.440 0.290 1.00 1.10 H new ATOM 2012 N LEU B 30 -11.421 3.142 1.842 1.00 42.21 N ATOM 2013 CA LEU B 30 -12.404 2.315 2.579 1.00 64.05 C ATOM 2014 C LEU B 30 -11.996 2.124 4.061 1.00 15.50 C ATOM 2015 O LEU B 30 -12.855 2.131 4.950 1.00 74.01 O ATOM 2016 CB LEU B 30 -12.630 0.929 1.882 1.00 61.13 C ATOM 2017 CG LEU B 30 -13.706 0.882 0.739 1.00 25.25 C ATOM 2018 CD1 LEU B 30 -15.088 1.353 1.239 1.00 21.43 C ATOM 2019 CD2 LEU B 30 -13.280 1.666 -0.520 1.00 61.40 C ATOM 0 H LEU B 30 -10.917 2.631 1.117 1.00 42.21 H new ATOM 0 HA LEU B 30 -13.349 2.857 2.561 1.00 64.05 H new ATOM 0 HB2 LEU B 30 -11.678 0.597 1.467 1.00 61.13 H new ATOM 0 HB3 LEU B 30 -12.914 0.206 2.647 1.00 61.13 H new ATOM 0 HG LEU B 30 -13.788 -0.165 0.446 1.00 25.25 H new ATOM 0 HD11 LEU B 30 -15.806 1.307 0.420 1.00 21.43 H new ATOM 0 HD12 LEU B 30 -15.421 0.706 2.051 1.00 21.43 H new ATOM 0 HD13 LEU B 30 -15.014 2.379 1.599 1.00 21.43 H new ATOM 0 HD21 LEU B 30 -14.064 1.597 -1.274 1.00 61.40 H new ATOM 0 HD22 LEU B 30 -13.118 2.712 -0.260 1.00 61.40 H new ATOM 0 HD23 LEU B 30 -12.357 1.244 -0.916 1.00 61.40 H new ATOM 2031 N PHE B 31 -10.691 1.965 4.320 1.00 55.24 N ATOM 2032 CA PHE B 31 -10.172 1.750 5.693 1.00 63.22 C ATOM 2033 C PHE B 31 -10.088 3.074 6.474 1.00 43.20 C ATOM 2034 O PHE B 31 -10.362 3.110 7.683 1.00 3.41 O ATOM 2035 CB PHE B 31 -8.801 1.031 5.644 1.00 10.34 C ATOM 2036 CG PHE B 31 -8.893 -0.361 5.011 1.00 74.31 C ATOM 2037 CD1 PHE B 31 -9.450 -1.427 5.712 1.00 25.13 C ATOM 2038 CD2 PHE B 31 -8.466 -0.596 3.707 1.00 41.23 C ATOM 2039 CE1 PHE B 31 -9.563 -2.678 5.131 1.00 61.12 C ATOM 2040 CE2 PHE B 31 -8.589 -1.845 3.126 1.00 11.33 C ATOM 2041 CZ PHE B 31 -9.137 -2.886 3.840 1.00 32.31 C ATOM 0 H PHE B 31 -9.968 1.980 3.601 1.00 55.24 H new ATOM 0 HA PHE B 31 -10.872 1.108 6.227 1.00 63.22 H new ATOM 0 HB2 PHE B 31 -8.095 1.639 5.078 1.00 10.34 H new ATOM 0 HB3 PHE B 31 -8.404 0.942 6.655 1.00 10.34 H new ATOM 0 HD1 PHE B 31 -9.799 -1.276 6.723 1.00 25.13 H new ATOM 0 HD2 PHE B 31 -8.030 0.212 3.138 1.00 41.23 H new ATOM 0 HE1 PHE B 31 -9.988 -3.495 5.695 1.00 61.12 H new ATOM 0 HE2 PHE B 31 -8.255 -2.003 2.111 1.00 11.33 H new ATOM 0 HZ PHE B 31 -9.232 -3.862 3.388 1.00 32.31 H new ATOM 2051 N ALA B 32 -9.745 4.159 5.762 1.00 52.14 N ATOM 2052 CA ALA B 32 -9.597 5.506 6.351 1.00 24.22 C ATOM 2053 C ALA B 32 -10.942 6.080 6.842 1.00 22.34 C ATOM 2054 O ALA B 32 -11.004 6.703 7.910 1.00 41.22 O ATOM 2055 CB ALA B 32 -8.963 6.459 5.326 1.00 1.14 C ATOM 0 H ALA B 32 -9.561 4.130 4.759 1.00 52.14 H new ATOM 0 HA ALA B 32 -8.946 5.412 7.220 1.00 24.22 H new ATOM 0 HB1 ALA B 32 -8.857 7.450 5.767 1.00 1.14 H new ATOM 0 HB2 ALA B 32 -7.981 6.083 5.038 1.00 1.14 H new ATOM 0 HB3 ALA B 32 -9.600 6.521 4.444 1.00 1.14 H new ATOM 2061 N ARG B 33 -12.020 5.841 6.065 1.00 11.25 N ATOM 2062 CA ARG B 33 -13.358 6.439 6.320 1.00 43.24 C ATOM 2063 C ARG B 33 -14.057 5.848 7.562 1.00 13.42 C ATOM 2064 O ARG B 33 -15.129 6.325 7.955 1.00 53.42 O ATOM 2065 CB ARG B 33 -14.255 6.274 5.068 1.00 51.14 C ATOM 2066 CG ARG B 33 -14.614 4.813 4.725 1.00 32.03 C ATOM 2067 CD ARG B 33 -15.414 4.698 3.422 1.00 54.43 C ATOM 2068 NE ARG B 33 -16.717 5.375 3.522 1.00 74.44 N ATOM 2069 CZ ARG B 33 -17.403 5.912 2.499 1.00 71.14 C ATOM 2070 NH1 ARG B 33 -16.924 5.869 1.257 1.00 51.12 N ATOM 2071 NH2 ARG B 33 -18.575 6.488 2.737 1.00 12.44 N ATOM 0 H ARG B 33 -11.993 5.233 5.247 1.00 11.25 H new ATOM 0 HA ARG B 33 -13.200 7.497 6.527 1.00 43.24 H new ATOM 0 HB2 ARG B 33 -15.177 6.835 5.221 1.00 51.14 H new ATOM 0 HB3 ARG B 33 -13.748 6.721 4.212 1.00 51.14 H new ATOM 0 HG2 ARG B 33 -13.699 4.227 4.639 1.00 32.03 H new ATOM 0 HG3 ARG B 33 -15.192 4.382 5.542 1.00 32.03 H new ATOM 0 HD2 ARG B 33 -14.840 5.132 2.603 1.00 54.43 H new ATOM 0 HD3 ARG B 33 -15.568 3.646 3.181 1.00 54.43 H new ATOM 0 HE ARG B 33 -17.136 5.442 4.449 1.00 74.44 H new ATOM 0 HH11 ARG B 33 -16.025 5.424 1.072 1.00 51.12 H new ATOM 0 HH12 ARG B 33 -17.456 6.281 0.491 1.00 51.12 H new ATOM 0 HH21 ARG B 33 -18.944 6.519 3.687 1.00 12.44 H new ATOM 0 HH22 ARG B 33 -19.106 6.900 1.970 1.00 12.44 H new ATOM 2085 N ARG B 34 -13.458 4.806 8.155 1.00 65.21 N ATOM 2086 CA ARG B 34 -13.898 4.246 9.436 1.00 3.24 C ATOM 2087 C ARG B 34 -13.445 5.197 10.559 1.00 3.52 C ATOM 2088 O ARG B 34 -14.240 5.996 11.062 1.00 62.52 O ATOM 2089 CB ARG B 34 -13.290 2.823 9.613 1.00 23.32 C ATOM 2090 CG ARG B 34 -13.479 2.177 11.013 1.00 12.02 C ATOM 2091 CD ARG B 34 -12.568 0.956 11.196 1.00 12.21 C ATOM 2092 NE ARG B 34 -12.565 0.422 12.568 1.00 21.01 N ATOM 2093 CZ ARG B 34 -11.542 -0.254 13.121 1.00 34.25 C ATOM 2094 NH1 ARG B 34 -10.422 -0.472 12.434 1.00 13.51 N ATOM 2095 NH2 ARG B 34 -11.670 -0.737 14.346 1.00 23.55 N ATOM 0 H ARG B 34 -12.651 4.327 7.756 1.00 65.21 H new ATOM 0 HA ARG B 34 -14.983 4.151 9.470 1.00 3.24 H new ATOM 0 HB2 ARG B 34 -13.733 2.164 8.867 1.00 23.32 H new ATOM 0 HB3 ARG B 34 -12.223 2.875 9.399 1.00 23.32 H new ATOM 0 HG2 ARG B 34 -13.262 2.913 11.787 1.00 12.02 H new ATOM 0 HG3 ARG B 34 -14.520 1.878 11.140 1.00 12.02 H new ATOM 0 HD2 ARG B 34 -12.885 0.170 10.510 1.00 12.21 H new ATOM 0 HD3 ARG B 34 -11.550 1.228 10.919 1.00 12.21 H new ATOM 0 HE ARG B 34 -13.396 0.575 13.139 1.00 21.01 H new ATOM 0 HH11 ARG B 34 -10.334 -0.125 11.479 1.00 13.51 H new ATOM 0 HH12 ARG B 34 -9.652 -0.986 12.863 1.00 13.51 H new ATOM 0 HH21 ARG B 34 -12.538 -0.595 14.862 1.00 23.55 H new ATOM 0 HH22 ARG B 34 -10.900 -1.251 14.775 1.00 23.55 H new ATOM 2109 N ALA B 35 -12.138 5.131 10.876 1.00 45.23 N ATOM 2110 CA ALA B 35 -11.511 5.879 11.982 1.00 11.04 C ATOM 2111 C ALA B 35 -10.038 5.485 12.080 1.00 71.51 C ATOM 2112 O ALA B 35 -9.148 6.337 12.109 1.00 61.22 O ATOM 2113 CB ALA B 35 -12.216 5.617 13.331 1.00 22.02 C ATOM 0 H ALA B 35 -11.478 4.547 10.363 1.00 45.23 H new ATOM 0 HA ALA B 35 -11.605 6.944 11.768 1.00 11.04 H new ATOM 0 HB1 ALA B 35 -11.721 6.188 14.117 1.00 22.02 H new ATOM 0 HB2 ALA B 35 -13.260 5.924 13.262 1.00 22.02 H new ATOM 0 HB3 ALA B 35 -12.165 4.554 13.568 1.00 22.02 H new ATOM 2119 N PHE B 36 -9.796 4.165 12.172 1.00 41.12 N ATOM 2120 CA PHE B 36 -8.441 3.601 12.262 1.00 54.22 C ATOM 2121 C PHE B 36 -7.917 3.279 10.855 1.00 51.33 C ATOM 2122 O PHE B 36 -8.640 2.719 10.024 1.00 44.35 O ATOM 2123 CB PHE B 36 -8.429 2.333 13.159 1.00 54.20 C ATOM 2124 CG PHE B 36 -7.050 1.666 13.295 1.00 34.02 C ATOM 2125 CD1 PHE B 36 -5.937 2.390 13.739 1.00 11.01 C ATOM 2126 CD2 PHE B 36 -6.861 0.324 12.966 1.00 23.41 C ATOM 2127 CE1 PHE B 36 -4.694 1.790 13.850 1.00 1.22 C ATOM 2128 CE2 PHE B 36 -5.619 -0.275 13.077 1.00 15.51 C ATOM 2129 CZ PHE B 36 -4.536 0.457 13.520 1.00 64.45 C ATOM 0 H PHE B 36 -10.535 3.462 12.186 1.00 41.12 H new ATOM 0 HA PHE B 36 -7.783 4.339 12.721 1.00 54.22 H new ATOM 0 HB2 PHE B 36 -8.789 2.602 14.152 1.00 54.20 H new ATOM 0 HB3 PHE B 36 -9.132 1.607 12.751 1.00 54.20 H new ATOM 0 HD1 PHE B 36 -6.050 3.432 13.999 1.00 11.01 H new ATOM 0 HD2 PHE B 36 -7.701 -0.259 12.618 1.00 23.41 H new ATOM 0 HE1 PHE B 36 -3.847 2.364 14.195 1.00 1.22 H new ATOM 0 HE2 PHE B 36 -5.497 -1.316 12.817 1.00 15.51 H new ATOM 0 HZ PHE B 36 -3.567 -0.011 13.609 1.00 64.45 H new ATOM 2139 N ASN B 37 -6.644 3.625 10.627 1.00 53.31 N ATOM 2140 CA ASN B 37 -5.951 3.441 9.343 1.00 41.12 C ATOM 2141 C ASN B 37 -5.340 2.034 9.266 1.00 62.01 C ATOM 2142 O ASN B 37 -5.379 1.273 10.238 1.00 31.34 O ATOM 2143 CB ASN B 37 -4.828 4.504 9.223 1.00 3.41 C ATOM 2144 CG ASN B 37 -5.328 5.935 9.422 1.00 5.54 C ATOM 2145 OD1 ASN B 37 -6.398 6.312 8.937 1.00 43.01 O ATOM 2146 ND2 ASN B 37 -4.576 6.735 10.159 1.00 3.34 N ATOM 0 H ASN B 37 -6.054 4.049 11.343 1.00 53.31 H new ATOM 0 HA ASN B 37 -6.664 3.557 8.526 1.00 41.12 H new ATOM 0 HB2 ASN B 37 -4.055 4.291 9.961 1.00 3.41 H new ATOM 0 HB3 ASN B 37 -4.363 4.422 8.241 1.00 3.41 H new ATOM 0 HD21 ASN B 37 -4.876 7.693 10.340 1.00 3.34 H new ATOM 0 HD22 ASN B 37 -3.696 6.394 10.546 1.00 3.34 H new ATOM 2153 N VAL B 38 -4.768 1.699 8.102 1.00 35.22 N ATOM 2154 CA VAL B 38 -3.971 0.474 7.935 1.00 15.31 C ATOM 2155 C VAL B 38 -2.574 0.711 8.535 1.00 14.43 C ATOM 2156 O VAL B 38 -2.026 1.808 8.407 1.00 2.32 O ATOM 2157 CB VAL B 38 -3.846 0.047 6.421 1.00 10.11 C ATOM 2158 CG1 VAL B 38 -3.173 -1.337 6.289 1.00 43.14 C ATOM 2159 CG2 VAL B 38 -5.222 0.048 5.717 1.00 63.11 C ATOM 0 H VAL B 38 -4.843 2.263 7.256 1.00 35.22 H new ATOM 0 HA VAL B 38 -4.477 -0.340 8.453 1.00 15.31 H new ATOM 0 HB VAL B 38 -3.215 0.785 5.926 1.00 10.11 H new ATOM 0 HG11 VAL B 38 -3.099 -1.607 5.235 1.00 43.14 H new ATOM 0 HG12 VAL B 38 -2.174 -1.299 6.724 1.00 43.14 H new ATOM 0 HG13 VAL B 38 -3.770 -2.083 6.814 1.00 43.14 H new ATOM 0 HG21 VAL B 38 -5.098 -0.251 4.676 1.00 63.11 H new ATOM 0 HG22 VAL B 38 -5.888 -0.654 6.219 1.00 63.11 H new ATOM 0 HG23 VAL B 38 -5.651 1.049 5.759 1.00 63.11 H new ATOM 2169 N GLU B 39 -2.023 -0.297 9.218 1.00 72.34 N ATOM 2170 CA GLU B 39 -0.704 -0.196 9.864 1.00 2.31 C ATOM 2171 C GLU B 39 0.387 -0.783 8.942 1.00 33.54 C ATOM 2172 O GLU B 39 1.489 -0.227 8.827 1.00 4.25 O ATOM 2173 CB GLU B 39 -0.739 -0.919 11.240 1.00 72.34 C ATOM 2174 CG GLU B 39 0.470 -0.628 12.156 1.00 22.11 C ATOM 2175 CD GLU B 39 0.612 0.874 12.491 1.00 65.02 C ATOM 2176 OE1 GLU B 39 -0.104 1.361 13.399 1.00 54.41 O ATOM 2177 OE2 GLU B 39 1.419 1.579 11.843 1.00 42.34 O ATOM 0 H GLU B 39 -2.474 -1.204 9.340 1.00 72.34 H new ATOM 0 HA GLU B 39 -0.461 0.852 10.037 1.00 2.31 H new ATOM 0 HB2 GLU B 39 -1.651 -0.631 11.763 1.00 72.34 H new ATOM 0 HB3 GLU B 39 -0.796 -1.994 11.068 1.00 72.34 H new ATOM 0 HG2 GLU B 39 0.365 -1.195 13.081 1.00 22.11 H new ATOM 0 HG3 GLU B 39 1.382 -0.976 11.670 1.00 22.11 H new ATOM 2184 N GLY B 40 0.051 -1.902 8.268 1.00 50.12 N ATOM 2185 CA GLY B 40 0.989 -2.594 7.371 1.00 72.22 C ATOM 2186 C GLY B 40 0.319 -3.021 6.076 1.00 21.34 C ATOM 2187 O GLY B 40 -0.817 -3.475 6.093 1.00 3.30 O ATOM 0 H GLY B 40 -0.866 -2.344 8.331 1.00 50.12 H new ATOM 0 HA2 GLY B 40 1.829 -1.937 7.146 1.00 72.22 H new ATOM 0 HA3 GLY B 40 1.396 -3.470 7.876 1.00 72.22 H new ATOM 2191 N ILE B 41 1.019 -2.877 4.944 1.00 75.44 N ATOM 2192 CA ILE B 41 0.488 -3.205 3.601 1.00 41.04 C ATOM 2193 C ILE B 41 1.505 -4.085 2.862 1.00 64.44 C ATOM 2194 O ILE B 41 2.721 -3.906 3.016 1.00 73.32 O ATOM 2195 CB ILE B 41 0.209 -1.901 2.746 1.00 12.34 C ATOM 2196 CG1 ILE B 41 -0.830 -0.974 3.450 1.00 14.05 C ATOM 2197 CG2 ILE B 41 -0.241 -2.230 1.303 1.00 51.34 C ATOM 2198 CD1 ILE B 41 -1.155 0.305 2.697 1.00 60.40 C ATOM 0 H ILE B 41 1.977 -2.528 4.927 1.00 75.44 H new ATOM 0 HA ILE B 41 -0.457 -3.732 3.729 1.00 41.04 H new ATOM 0 HB ILE B 41 1.156 -1.365 2.676 1.00 12.34 H new ATOM 0 HG12 ILE B 41 -1.753 -1.535 3.601 1.00 14.05 H new ATOM 0 HG13 ILE B 41 -0.451 -0.711 4.438 1.00 14.05 H new ATOM 0 HG21 ILE B 41 -0.420 -1.303 0.757 1.00 51.34 H new ATOM 0 HG22 ILE B 41 0.539 -2.802 0.800 1.00 51.34 H new ATOM 0 HG23 ILE B 41 -1.159 -2.816 1.333 1.00 51.34 H new ATOM 0 HD11 ILE B 41 -1.885 0.884 3.262 1.00 60.40 H new ATOM 0 HD12 ILE B 41 -0.246 0.893 2.569 1.00 60.40 H new ATOM 0 HD13 ILE B 41 -1.568 0.057 1.719 1.00 60.40 H new ATOM 2210 N LEU B 42 1.001 -5.015 2.043 1.00 34.51 N ATOM 2211 CA LEU B 42 1.827 -5.858 1.188 1.00 52.43 C ATOM 2212 C LEU B 42 1.101 -6.069 -0.152 1.00 43.55 C ATOM 2213 O LEU B 42 0.234 -6.923 -0.268 1.00 43.21 O ATOM 2214 CB LEU B 42 2.154 -7.200 1.906 1.00 43.43 C ATOM 2215 CG LEU B 42 3.080 -8.197 1.133 1.00 64.10 C ATOM 2216 CD1 LEU B 42 4.336 -7.492 0.594 1.00 53.24 C ATOM 2217 CD2 LEU B 42 3.464 -9.393 2.031 1.00 71.43 C ATOM 0 H LEU B 42 0.002 -5.201 1.958 1.00 34.51 H new ATOM 0 HA LEU B 42 2.782 -5.373 0.984 1.00 52.43 H new ATOM 0 HB2 LEU B 42 2.623 -6.970 2.862 1.00 43.43 H new ATOM 0 HB3 LEU B 42 1.215 -7.707 2.126 1.00 43.43 H new ATOM 0 HG LEU B 42 2.521 -8.576 0.277 1.00 64.10 H new ATOM 0 HD11 LEU B 42 4.958 -8.212 0.062 1.00 53.24 H new ATOM 0 HD12 LEU B 42 4.041 -6.694 -0.088 1.00 53.24 H new ATOM 0 HD13 LEU B 42 4.901 -7.069 1.425 1.00 53.24 H new ATOM 0 HD21 LEU B 42 4.108 -10.074 1.474 1.00 71.43 H new ATOM 0 HD22 LEU B 42 3.994 -9.031 2.912 1.00 71.43 H new ATOM 0 HD23 LEU B 42 2.561 -9.919 2.341 1.00 71.43 H new ATOM 2229 N CYS B 43 1.412 -5.218 -1.137 1.00 52.15 N ATOM 2230 CA CYS B 43 0.887 -5.345 -2.505 1.00 61.32 C ATOM 2231 C CYS B 43 1.853 -6.194 -3.325 1.00 70.23 C ATOM 2232 O CYS B 43 2.943 -5.729 -3.690 1.00 34.42 O ATOM 2233 CB CYS B 43 0.705 -3.956 -3.142 1.00 41.12 C ATOM 2234 SG CYS B 43 0.077 -3.952 -4.835 1.00 12.45 S ATOM 0 H CYS B 43 2.035 -4.421 -1.010 1.00 52.15 H new ATOM 0 HA CYS B 43 -0.089 -5.829 -2.481 1.00 61.32 H new ATOM 0 HB2 CYS B 43 0.024 -3.377 -2.519 1.00 41.12 H new ATOM 0 HB3 CYS B 43 1.665 -3.441 -3.128 1.00 41.12 H new ATOM 0 HG CYS B 43 0.714 -4.843 -5.536 1.00 12.45 H new ATOM 2240 N LEU B 44 1.465 -7.454 -3.554 1.00 24.42 N ATOM 2241 CA LEU B 44 2.275 -8.441 -4.271 1.00 32.42 C ATOM 2242 C LEU B 44 1.729 -8.567 -5.711 1.00 52.43 C ATOM 2243 O LEU B 44 0.649 -9.156 -5.905 1.00 51.32 O ATOM 2244 CB LEU B 44 2.198 -9.793 -3.518 1.00 72.30 C ATOM 2245 CG LEU B 44 3.335 -10.821 -3.771 1.00 54.01 C ATOM 2246 CD1 LEU B 44 4.689 -10.295 -3.240 1.00 61.21 C ATOM 2247 CD2 LEU B 44 2.985 -12.182 -3.133 1.00 33.13 C ATOM 0 H LEU B 44 0.566 -7.820 -3.241 1.00 24.42 H new ATOM 0 HA LEU B 44 3.320 -8.135 -4.319 1.00 32.42 H new ATOM 0 HB2 LEU B 44 2.168 -9.581 -2.449 1.00 72.30 H new ATOM 0 HB3 LEU B 44 1.252 -10.268 -3.776 1.00 72.30 H new ATOM 0 HG LEU B 44 3.432 -10.961 -4.848 1.00 54.01 H new ATOM 0 HD11 LEU B 44 5.467 -11.035 -3.430 1.00 61.21 H new ATOM 0 HD12 LEU B 44 4.942 -9.364 -3.747 1.00 61.21 H new ATOM 0 HD13 LEU B 44 4.614 -10.115 -2.168 1.00 61.21 H new ATOM 0 HD21 LEU B 44 3.792 -12.890 -3.320 1.00 33.13 H new ATOM 0 HD22 LEU B 44 2.854 -12.057 -2.058 1.00 33.13 H new ATOM 0 HD23 LEU B 44 2.061 -12.562 -3.570 1.00 33.13 H new ATOM 2259 N PRO B 45 2.419 -7.970 -6.734 1.00 51.12 N ATOM 2260 CA PRO B 45 1.944 -7.995 -8.132 1.00 31.13 C ATOM 2261 C PRO B 45 2.052 -9.403 -8.763 1.00 14.24 C ATOM 2262 O PRO B 45 3.132 -10.018 -8.778 1.00 14.12 O ATOM 2263 CB PRO B 45 2.855 -6.958 -8.841 1.00 35.32 C ATOM 2264 CG PRO B 45 4.120 -6.936 -8.033 1.00 72.52 C ATOM 2265 CD PRO B 45 3.703 -7.215 -6.601 1.00 4.45 C ATOM 0 HA PRO B 45 0.885 -7.751 -8.221 1.00 31.13 H new ATOM 0 HB2 PRO B 45 3.051 -7.246 -9.874 1.00 35.32 H new ATOM 0 HB3 PRO B 45 2.387 -5.974 -8.868 1.00 35.32 H new ATOM 0 HG2 PRO B 45 4.824 -7.688 -8.389 1.00 72.52 H new ATOM 0 HG3 PRO B 45 4.618 -5.970 -8.114 1.00 72.52 H new ATOM 0 HD2 PRO B 45 4.456 -7.800 -6.074 1.00 4.45 H new ATOM 0 HD3 PRO B 45 3.566 -6.291 -6.039 1.00 4.45 H new ATOM 2273 N ILE B 46 0.909 -9.912 -9.243 1.00 53.14 N ATOM 2274 CA ILE B 46 0.831 -11.177 -9.980 1.00 22.25 C ATOM 2275 C ILE B 46 1.528 -11.005 -11.348 1.00 70.22 C ATOM 2276 O ILE B 46 1.132 -10.145 -12.138 1.00 11.42 O ATOM 2277 CB ILE B 46 -0.667 -11.608 -10.194 1.00 75.13 C ATOM 2278 CG1 ILE B 46 -1.449 -11.675 -8.838 1.00 10.24 C ATOM 2279 CG2 ILE B 46 -0.778 -12.944 -10.959 1.00 51.42 C ATOM 2280 CD1 ILE B 46 -0.985 -12.734 -7.860 1.00 73.45 C ATOM 0 H ILE B 46 0.006 -9.452 -9.129 1.00 53.14 H new ATOM 0 HA ILE B 46 1.329 -11.956 -9.403 1.00 22.25 H new ATOM 0 HB ILE B 46 -1.130 -10.837 -10.809 1.00 75.13 H new ATOM 0 HG12 ILE B 46 -1.378 -10.702 -8.351 1.00 10.24 H new ATOM 0 HG13 ILE B 46 -2.503 -11.846 -9.056 1.00 10.24 H new ATOM 0 HG21 ILE B 46 -1.829 -13.205 -11.085 1.00 51.42 H new ATOM 0 HG22 ILE B 46 -0.309 -12.843 -11.938 1.00 51.42 H new ATOM 0 HG23 ILE B 46 -0.275 -13.729 -10.395 1.00 51.42 H new ATOM 0 HD11 ILE B 46 -1.596 -12.689 -6.958 1.00 73.45 H new ATOM 0 HD12 ILE B 46 -1.083 -13.719 -8.316 1.00 73.45 H new ATOM 0 HD13 ILE B 46 0.059 -12.557 -7.600 1.00 73.45 H new ATOM 2292 N GLN B 47 2.568 -11.813 -11.610 1.00 32.22 N ATOM 2293 CA GLN B 47 3.341 -11.740 -12.874 1.00 70.42 C ATOM 2294 C GLN B 47 2.590 -12.441 -14.017 1.00 41.13 C ATOM 2295 O GLN B 47 2.843 -12.168 -15.194 1.00 22.24 O ATOM 2296 CB GLN B 47 4.752 -12.365 -12.695 1.00 22.42 C ATOM 2297 CG GLN B 47 4.774 -13.887 -12.449 1.00 3.14 C ATOM 2298 CD GLN B 47 6.172 -14.431 -12.131 1.00 2.11 C ATOM 2299 OE1 GLN B 47 6.915 -14.830 -13.029 1.00 4.14 O ATOM 2300 NE2 GLN B 47 6.548 -14.427 -10.858 1.00 60.01 N ATOM 0 H GLN B 47 2.899 -12.530 -10.964 1.00 32.22 H new ATOM 0 HA GLN B 47 3.459 -10.688 -13.133 1.00 70.42 H new ATOM 0 HB2 GLN B 47 5.342 -12.149 -13.586 1.00 22.42 H new ATOM 0 HB3 GLN B 47 5.246 -11.871 -11.858 1.00 22.42 H new ATOM 0 HG2 GLN B 47 4.103 -14.124 -11.623 1.00 3.14 H new ATOM 0 HG3 GLN B 47 4.386 -14.396 -13.331 1.00 3.14 H new ATOM 0 HE21 GLN B 47 5.909 -14.090 -10.138 1.00 60.01 H new ATOM 0 HE22 GLN B 47 7.476 -14.761 -10.599 1.00 60.01 H new ATOM 2309 N ASP B 48 1.664 -13.342 -13.638 1.00 42.35 N ATOM 2310 CA ASP B 48 0.908 -14.181 -14.579 1.00 11.11 C ATOM 2311 C ASP B 48 -0.052 -13.345 -15.453 1.00 14.54 C ATOM 2312 O ASP B 48 -0.183 -13.591 -16.654 1.00 14.41 O ATOM 2313 CB ASP B 48 0.127 -15.256 -13.776 1.00 32.23 C ATOM 2314 CG ASP B 48 -0.780 -16.156 -14.641 1.00 4.11 C ATOM 2315 OD1 ASP B 48 -0.274 -17.127 -15.245 1.00 11.44 O ATOM 2316 OD2 ASP B 48 -2.005 -15.897 -14.710 1.00 13.33 O ATOM 0 H ASP B 48 1.420 -13.507 -12.662 1.00 42.35 H new ATOM 0 HA ASP B 48 1.610 -14.664 -15.259 1.00 11.11 H new ATOM 0 HB2 ASP B 48 0.840 -15.884 -13.242 1.00 32.23 H new ATOM 0 HB3 ASP B 48 -0.485 -14.758 -13.024 1.00 32.23 H new ATOM 2321 N SER B 49 -0.712 -12.354 -14.832 1.00 55.11 N ATOM 2322 CA SER B 49 -1.723 -11.492 -15.498 1.00 31.11 C ATOM 2323 C SER B 49 -1.697 -10.086 -14.875 1.00 42.54 C ATOM 2324 O SER B 49 -0.937 -9.849 -13.929 1.00 2.33 O ATOM 2325 CB SER B 49 -3.135 -12.122 -15.354 1.00 22.14 C ATOM 2326 OG SER B 49 -3.200 -13.408 -15.957 1.00 31.44 O ATOM 0 H SER B 49 -0.564 -12.121 -13.850 1.00 55.11 H new ATOM 0 HA SER B 49 -1.485 -11.412 -16.559 1.00 31.11 H new ATOM 0 HB2 SER B 49 -3.392 -12.202 -14.298 1.00 22.14 H new ATOM 0 HB3 SER B 49 -3.875 -11.467 -15.814 1.00 22.14 H new ATOM 0 HG SER B 49 -2.749 -14.062 -15.383 1.00 31.44 H new ATOM 2332 N ASP B 50 -2.530 -9.153 -15.403 1.00 74.15 N ATOM 2333 CA ASP B 50 -2.698 -7.813 -14.803 1.00 33.40 C ATOM 2334 C ASP B 50 -3.544 -7.945 -13.518 1.00 15.30 C ATOM 2335 O ASP B 50 -4.746 -7.730 -13.500 1.00 22.34 O ATOM 2336 CB ASP B 50 -3.302 -6.782 -15.822 1.00 63.55 C ATOM 2337 CG ASP B 50 -4.743 -7.095 -16.304 1.00 54.43 C ATOM 2338 OD1 ASP B 50 -4.933 -8.094 -17.030 1.00 34.24 O ATOM 2339 OD2 ASP B 50 -5.688 -6.345 -15.960 1.00 62.52 O ATOM 0 H ASP B 50 -3.092 -9.307 -16.240 1.00 74.15 H new ATOM 0 HA ASP B 50 -1.720 -7.412 -14.537 1.00 33.40 H new ATOM 0 HB2 ASP B 50 -3.297 -5.794 -15.361 1.00 63.55 H new ATOM 0 HB3 ASP B 50 -2.648 -6.731 -16.693 1.00 63.55 H new ATOM 2344 N LYS B 51 -2.884 -8.395 -12.449 1.00 13.43 N ATOM 2345 CA LYS B 51 -3.503 -8.652 -11.136 1.00 23.04 C ATOM 2346 C LYS B 51 -2.478 -8.310 -10.038 1.00 20.42 C ATOM 2347 O LYS B 51 -1.266 -8.246 -10.299 1.00 63.21 O ATOM 2348 CB LYS B 51 -3.965 -10.147 -10.994 1.00 4.45 C ATOM 2349 CG LYS B 51 -5.049 -10.636 -11.988 1.00 64.22 C ATOM 2350 CD LYS B 51 -6.420 -9.962 -11.769 1.00 72.35 C ATOM 2351 CE LYS B 51 -7.445 -10.339 -12.856 1.00 63.35 C ATOM 2352 NZ LYS B 51 -7.729 -11.797 -12.883 1.00 53.11 N ATOM 0 H LYS B 51 -1.884 -8.597 -12.466 1.00 13.43 H new ATOM 0 HA LYS B 51 -4.392 -8.028 -11.038 1.00 23.04 H new ATOM 0 HB2 LYS B 51 -3.089 -10.786 -11.104 1.00 4.45 H new ATOM 0 HB3 LYS B 51 -4.341 -10.293 -9.981 1.00 4.45 H new ATOM 0 HG2 LYS B 51 -4.714 -10.441 -13.007 1.00 64.22 H new ATOM 0 HG3 LYS B 51 -5.162 -11.716 -11.891 1.00 64.22 H new ATOM 0 HD2 LYS B 51 -6.810 -10.248 -10.792 1.00 72.35 H new ATOM 0 HD3 LYS B 51 -6.291 -8.880 -11.756 1.00 72.35 H new ATOM 0 HE2 LYS B 51 -8.373 -9.794 -12.682 1.00 63.35 H new ATOM 0 HE3 LYS B 51 -7.069 -10.026 -13.830 1.00 63.35 H new ATOM 0 HZ1 LYS B 51 -8.448 -11.997 -13.607 1.00 53.11 H new ATOM 0 HZ2 LYS B 51 -6.857 -12.316 -13.109 1.00 53.11 H new ATOM 0 HZ3 LYS B 51 -8.081 -12.099 -11.952 1.00 53.11 H new ATOM 2366 N SER B 52 -2.983 -8.084 -8.826 1.00 13.24 N ATOM 2367 CA SER B 52 -2.174 -7.820 -7.632 1.00 1.13 C ATOM 2368 C SER B 52 -3.043 -8.094 -6.396 1.00 13.15 C ATOM 2369 O SER B 52 -4.156 -7.566 -6.304 1.00 5.51 O ATOM 2370 CB SER B 52 -1.660 -6.354 -7.633 1.00 71.35 C ATOM 2371 OG SER B 52 -0.731 -6.132 -6.584 1.00 45.15 O ATOM 0 H SER B 52 -3.986 -8.079 -8.641 1.00 13.24 H new ATOM 0 HA SER B 52 -1.299 -8.470 -7.621 1.00 1.13 H new ATOM 0 HB2 SER B 52 -1.190 -6.132 -8.591 1.00 71.35 H new ATOM 0 HB3 SER B 52 -2.503 -5.671 -7.526 1.00 71.35 H new ATOM 0 HG SER B 52 -0.816 -5.211 -6.261 1.00 45.15 H new ATOM 2377 N HIS B 53 -2.570 -8.935 -5.459 1.00 71.55 N ATOM 2378 CA HIS B 53 -3.294 -9.180 -4.187 1.00 71.35 C ATOM 2379 C HIS B 53 -2.581 -8.468 -3.029 1.00 23.04 C ATOM 2380 O HIS B 53 -1.381 -8.656 -2.822 1.00 64.43 O ATOM 2381 CB HIS B 53 -3.548 -10.695 -3.912 1.00 4.25 C ATOM 2382 CG HIS B 53 -2.371 -11.637 -3.971 1.00 53.51 C ATOM 2383 ND1 HIS B 53 -2.475 -12.959 -3.585 1.00 42.24 N ATOM 2384 CD2 HIS B 53 -1.094 -11.487 -4.403 1.00 20.33 C ATOM 2385 CE1 HIS B 53 -1.324 -13.570 -3.785 1.00 0.43 C ATOM 2386 NE2 HIS B 53 -0.477 -12.696 -4.276 1.00 64.14 N ATOM 0 H HIS B 53 -1.698 -9.455 -5.552 1.00 71.55 H new ATOM 0 HA HIS B 53 -4.291 -8.748 -4.280 1.00 71.35 H new ATOM 0 HB2 HIS B 53 -3.996 -10.783 -2.922 1.00 4.25 H new ATOM 0 HB3 HIS B 53 -4.290 -11.044 -4.630 1.00 4.25 H new ATOM 0 HD1 HIS B 53 -3.314 -13.396 -3.204 1.00 42.24 H new ATOM 0 HD2 HIS B 53 -0.648 -10.578 -4.778 1.00 20.33 H new ATOM 0 HE1 HIS B 53 -1.114 -14.610 -3.580 1.00 0.43 H new ATOM 2395 N ILE B 54 -3.332 -7.608 -2.310 1.00 72.21 N ATOM 2396 CA ILE B 54 -2.782 -6.709 -1.277 1.00 3.21 C ATOM 2397 C ILE B 54 -3.296 -7.132 0.105 1.00 52.20 C ATOM 2398 O ILE B 54 -4.502 -7.109 0.315 1.00 61.42 O ATOM 2399 CB ILE B 54 -3.184 -5.183 -1.510 1.00 70.34 C ATOM 2400 CG1 ILE B 54 -2.809 -4.650 -2.938 1.00 13.32 C ATOM 2401 CG2 ILE B 54 -2.540 -4.283 -0.428 1.00 2.44 C ATOM 2402 CD1 ILE B 54 -3.721 -5.082 -4.062 1.00 23.14 C ATOM 0 H ILE B 54 -4.341 -7.518 -2.431 1.00 72.21 H new ATOM 0 HA ILE B 54 -1.697 -6.790 -1.339 1.00 3.21 H new ATOM 0 HB ILE B 54 -4.270 -5.140 -1.433 1.00 70.34 H new ATOM 0 HG12 ILE B 54 -2.794 -3.561 -2.906 1.00 13.32 H new ATOM 0 HG13 ILE B 54 -1.796 -4.976 -3.172 1.00 13.32 H new ATOM 0 HG21 ILE B 54 -2.824 -3.245 -0.602 1.00 2.44 H new ATOM 0 HG22 ILE B 54 -2.886 -4.594 0.558 1.00 2.44 H new ATOM 0 HG23 ILE B 54 -1.455 -4.375 -0.477 1.00 2.44 H new ATOM 0 HD11 ILE B 54 -3.368 -4.656 -5.001 1.00 23.14 H new ATOM 0 HD12 ILE B 54 -3.720 -6.170 -4.134 1.00 23.14 H new ATOM 0 HD13 ILE B 54 -4.734 -4.732 -3.863 1.00 23.14 H new ATOM 2414 N TRP B 55 -2.386 -7.482 1.043 1.00 64.23 N ATOM 2415 CA TRP B 55 -2.757 -7.811 2.440 1.00 23.45 C ATOM 2416 C TRP B 55 -2.742 -6.523 3.277 1.00 53.50 C ATOM 2417 O TRP B 55 -1.678 -5.929 3.493 1.00 33.54 O ATOM 2418 CB TRP B 55 -1.788 -8.863 3.057 1.00 11.55 C ATOM 2419 CG TRP B 55 -1.814 -10.207 2.352 1.00 51.30 C ATOM 2420 CD1 TRP B 55 -2.503 -11.335 2.706 1.00 22.42 C ATOM 2421 CD2 TRP B 55 -1.126 -10.546 1.154 1.00 24.32 C ATOM 2422 NE1 TRP B 55 -2.292 -12.332 1.793 1.00 65.44 N ATOM 2423 CE2 TRP B 55 -1.447 -11.872 0.830 1.00 22.23 C ATOM 2424 CE3 TRP B 55 -0.279 -9.845 0.326 1.00 52.11 C ATOM 2425 CZ2 TRP B 55 -0.942 -12.501 -0.294 1.00 14.22 C ATOM 2426 CZ3 TRP B 55 0.225 -10.460 -0.779 1.00 21.33 C ATOM 2427 CH2 TRP B 55 -0.107 -11.777 -1.088 1.00 23.35 C ATOM 0 H TRP B 55 -1.385 -7.544 0.857 1.00 64.23 H new ATOM 0 HA TRP B 55 -3.756 -8.247 2.442 1.00 23.45 H new ATOM 0 HB2 TRP B 55 -0.772 -8.468 3.029 1.00 11.55 H new ATOM 0 HB3 TRP B 55 -2.045 -9.008 4.106 1.00 11.55 H new ATOM 0 HD1 TRP B 55 -3.126 -11.426 3.583 1.00 22.42 H new ATOM 0 HE1 TRP B 55 -2.701 -13.266 1.828 1.00 65.44 H new ATOM 0 HE3 TRP B 55 -0.018 -8.821 0.550 1.00 52.11 H new ATOM 0 HZ2 TRP B 55 -1.199 -13.523 -0.531 1.00 14.22 H new ATOM 0 HZ3 TRP B 55 0.895 -9.916 -1.428 1.00 21.33 H new ATOM 0 HH2 TRP B 55 0.307 -12.233 -1.976 1.00 23.35 H new ATOM 2438 N LEU B 56 -3.935 -6.080 3.708 1.00 44.25 N ATOM 2439 CA LEU B 56 -4.101 -4.906 4.578 1.00 32.12 C ATOM 2440 C LEU B 56 -4.159 -5.357 6.046 1.00 63.13 C ATOM 2441 O LEU B 56 -5.107 -6.038 6.455 1.00 11.53 O ATOM 2442 CB LEU B 56 -5.387 -4.098 4.218 1.00 70.11 C ATOM 2443 CG LEU B 56 -5.424 -3.397 2.813 1.00 43.42 C ATOM 2444 CD1 LEU B 56 -4.155 -2.554 2.555 1.00 64.51 C ATOM 2445 CD2 LEU B 56 -5.714 -4.397 1.665 1.00 35.52 C ATOM 0 H LEU B 56 -4.816 -6.530 3.460 1.00 44.25 H new ATOM 0 HA LEU B 56 -3.244 -4.249 4.426 1.00 32.12 H new ATOM 0 HB2 LEU B 56 -6.240 -4.774 4.281 1.00 70.11 H new ATOM 0 HB3 LEU B 56 -5.530 -3.333 4.981 1.00 70.11 H new ATOM 0 HG LEU B 56 -6.263 -2.701 2.830 1.00 43.42 H new ATOM 0 HD11 LEU B 56 -4.222 -2.087 1.572 1.00 64.51 H new ATOM 0 HD12 LEU B 56 -4.070 -1.781 3.319 1.00 64.51 H new ATOM 0 HD13 LEU B 56 -3.277 -3.198 2.591 1.00 64.51 H new ATOM 0 HD21 LEU B 56 -5.730 -3.865 0.714 1.00 35.52 H new ATOM 0 HD22 LEU B 56 -4.935 -5.160 1.641 1.00 35.52 H new ATOM 0 HD23 LEU B 56 -6.681 -4.871 1.831 1.00 35.52 H new ATOM 2457 N LEU B 57 -3.130 -4.975 6.812 1.00 64.52 N ATOM 2458 CA LEU B 57 -3.015 -5.245 8.255 1.00 15.22 C ATOM 2459 C LEU B 57 -3.692 -4.108 9.028 1.00 31.43 C ATOM 2460 O LEU B 57 -3.085 -3.065 9.293 1.00 11.24 O ATOM 2461 CB LEU B 57 -1.520 -5.386 8.687 1.00 5.14 C ATOM 2462 CG LEU B 57 -0.826 -6.759 8.418 1.00 35.03 C ATOM 2463 CD1 LEU B 57 -0.988 -7.233 6.956 1.00 43.41 C ATOM 2464 CD2 LEU B 57 0.660 -6.701 8.841 1.00 60.24 C ATOM 0 H LEU B 57 -2.334 -4.457 6.439 1.00 64.52 H new ATOM 0 HA LEU B 57 -3.509 -6.190 8.480 1.00 15.22 H new ATOM 0 HB2 LEU B 57 -0.947 -4.612 8.177 1.00 5.14 H new ATOM 0 HB3 LEU B 57 -1.456 -5.179 9.755 1.00 5.14 H new ATOM 0 HG LEU B 57 -1.331 -7.506 9.031 1.00 35.03 H new ATOM 0 HD11 LEU B 57 -0.486 -8.192 6.827 1.00 43.41 H new ATOM 0 HD12 LEU B 57 -2.047 -7.344 6.725 1.00 43.41 H new ATOM 0 HD13 LEU B 57 -0.545 -6.498 6.284 1.00 43.41 H new ATOM 0 HD21 LEU B 57 1.131 -7.665 8.648 1.00 60.24 H new ATOM 0 HD22 LEU B 57 1.171 -5.926 8.269 1.00 60.24 H new ATOM 0 HD23 LEU B 57 0.727 -6.471 9.904 1.00 60.24 H new ATOM 2476 N VAL B 58 -4.961 -4.325 9.342 1.00 54.54 N ATOM 2477 CA VAL B 58 -5.810 -3.378 10.075 1.00 73.45 C ATOM 2478 C VAL B 58 -6.683 -4.193 11.018 1.00 42.23 C ATOM 2479 O VAL B 58 -7.053 -5.291 10.660 1.00 73.22 O ATOM 2480 CB VAL B 58 -6.719 -2.560 9.071 1.00 32.44 C ATOM 2481 CG1 VAL B 58 -7.729 -3.464 8.309 1.00 70.25 C ATOM 2482 CG2 VAL B 58 -7.438 -1.375 9.768 1.00 61.31 C ATOM 0 H VAL B 58 -5.448 -5.185 9.090 1.00 54.54 H new ATOM 0 HA VAL B 58 -5.198 -2.665 10.627 1.00 73.45 H new ATOM 0 HB VAL B 58 -6.043 -2.140 8.326 1.00 32.44 H new ATOM 0 HG11 VAL B 58 -8.327 -2.852 7.634 1.00 70.25 H new ATOM 0 HG12 VAL B 58 -7.185 -4.213 7.734 1.00 70.25 H new ATOM 0 HG13 VAL B 58 -8.384 -3.961 9.024 1.00 70.25 H new ATOM 0 HG21 VAL B 58 -8.050 -0.842 9.040 1.00 61.31 H new ATOM 0 HG22 VAL B 58 -8.073 -1.755 10.568 1.00 61.31 H new ATOM 0 HG23 VAL B 58 -6.696 -0.694 10.186 1.00 61.31 H new ATOM 2492 N ASN B 59 -6.997 -3.707 12.221 1.00 41.22 N ATOM 2493 CA ASN B 59 -7.967 -4.418 13.079 1.00 63.34 C ATOM 2494 C ASN B 59 -9.383 -4.221 12.505 1.00 63.33 C ATOM 2495 O ASN B 59 -9.779 -3.090 12.212 1.00 15.14 O ATOM 2496 CB ASN B 59 -7.835 -4.007 14.573 1.00 71.23 C ATOM 2497 CG ASN B 59 -7.931 -2.508 14.876 1.00 53.32 C ATOM 2498 OD1 ASN B 59 -8.760 -1.780 14.336 1.00 52.03 O ATOM 2499 ND2 ASN B 59 -7.063 -2.028 15.744 1.00 74.35 N ATOM 0 H ASN B 59 -6.611 -2.851 12.620 1.00 41.22 H new ATOM 0 HA ASN B 59 -7.750 -5.486 13.070 1.00 63.34 H new ATOM 0 HB2 ASN B 59 -8.612 -4.521 15.139 1.00 71.23 H new ATOM 0 HB3 ASN B 59 -6.877 -4.370 14.944 1.00 71.23 H new ATOM 0 HD21 ASN B 59 -7.072 -1.035 15.978 1.00 74.35 H new ATOM 0 HD22 ASN B 59 -6.383 -2.649 16.182 1.00 74.35 H new ATOM 2506 N ASP B 60 -10.105 -5.335 12.256 1.00 64.24 N ATOM 2507 CA ASP B 60 -11.444 -5.283 11.651 1.00 42.03 C ATOM 2508 C ASP B 60 -12.482 -4.775 12.661 1.00 53.35 C ATOM 2509 O ASP B 60 -12.237 -4.703 13.872 1.00 24.10 O ATOM 2510 CB ASP B 60 -11.890 -6.657 11.046 1.00 11.12 C ATOM 2511 CG ASP B 60 -12.505 -7.640 12.067 1.00 65.32 C ATOM 2512 OD1 ASP B 60 -11.756 -8.198 12.895 1.00 15.34 O ATOM 2513 OD2 ASP B 60 -13.746 -7.846 12.053 1.00 74.03 O ATOM 0 H ASP B 60 -9.779 -6.278 12.466 1.00 64.24 H new ATOM 0 HA ASP B 60 -11.383 -4.578 10.822 1.00 42.03 H new ATOM 0 HB2 ASP B 60 -12.618 -6.472 10.256 1.00 11.12 H new ATOM 0 HB3 ASP B 60 -11.026 -7.131 10.580 1.00 11.12 H new ATOM 2518 N ASP B 61 -13.644 -4.454 12.126 1.00 24.02 N ATOM 2519 CA ASP B 61 -14.744 -3.830 12.852 1.00 34.05 C ATOM 2520 C ASP B 61 -16.049 -4.396 12.271 1.00 32.34 C ATOM 2521 O ASP B 61 -16.042 -4.957 11.167 1.00 44.33 O ATOM 2522 CB ASP B 61 -14.655 -2.282 12.665 1.00 71.11 C ATOM 2523 CG ASP B 61 -15.344 -1.476 13.778 1.00 23.22 C ATOM 2524 OD1 ASP B 61 -16.586 -1.478 13.843 1.00 43.55 O ATOM 2525 OD2 ASP B 61 -14.643 -0.819 14.581 1.00 24.13 O ATOM 0 H ASP B 61 -13.860 -4.624 11.144 1.00 24.02 H new ATOM 0 HA ASP B 61 -14.703 -4.039 13.921 1.00 34.05 H new ATOM 0 HB2 ASP B 61 -13.605 -1.992 12.617 1.00 71.11 H new ATOM 0 HB3 ASP B 61 -15.103 -2.016 11.708 1.00 71.11 H new ATOM 2530 N GLN B 62 -17.159 -4.229 12.992 1.00 42.43 N ATOM 2531 CA GLN B 62 -18.504 -4.526 12.453 1.00 10.43 C ATOM 2532 C GLN B 62 -18.829 -3.560 11.289 1.00 31.21 C ATOM 2533 O GLN B 62 -19.558 -3.908 10.360 1.00 50.13 O ATOM 2534 CB GLN B 62 -19.572 -4.438 13.576 1.00 12.00 C ATOM 2535 CG GLN B 62 -19.346 -5.416 14.755 1.00 3.22 C ATOM 2536 CD GLN B 62 -19.336 -6.891 14.338 1.00 60.43 C ATOM 2537 OE1 GLN B 62 -20.369 -7.566 14.338 1.00 51.33 O ATOM 2538 NE2 GLN B 62 -18.170 -7.404 13.985 1.00 72.31 N ATOM 0 H GLN B 62 -17.162 -3.889 13.954 1.00 42.43 H new ATOM 0 HA GLN B 62 -18.517 -5.545 12.065 1.00 10.43 H new ATOM 0 HB2 GLN B 62 -19.590 -3.419 13.964 1.00 12.00 H new ATOM 0 HB3 GLN B 62 -20.553 -4.632 13.143 1.00 12.00 H new ATOM 0 HG2 GLN B 62 -18.398 -5.177 15.237 1.00 3.22 H new ATOM 0 HG3 GLN B 62 -20.129 -5.263 15.498 1.00 3.22 H new ATOM 0 HE21 GLN B 62 -17.333 -6.822 13.995 1.00 72.31 H new ATOM 0 HE22 GLN B 62 -18.108 -8.382 13.703 1.00 72.31 H new ATOM 2547 N ARG B 63 -18.250 -2.344 11.363 1.00 13.13 N ATOM 2548 CA ARG B 63 -18.355 -1.314 10.313 1.00 40.34 C ATOM 2549 C ARG B 63 -17.450 -1.671 9.111 1.00 31.00 C ATOM 2550 O ARG B 63 -17.840 -1.491 7.959 1.00 34.43 O ATOM 2551 CB ARG B 63 -17.937 0.073 10.883 1.00 14.31 C ATOM 2552 CG ARG B 63 -18.457 1.283 10.076 1.00 64.45 C ATOM 2553 CD ARG B 63 -19.976 1.482 10.244 1.00 34.10 C ATOM 2554 NE ARG B 63 -20.320 1.796 11.647 1.00 52.11 N ATOM 2555 CZ ARG B 63 -21.368 1.319 12.345 1.00 44.52 C ATOM 2556 NH1 ARG B 63 -22.240 0.485 11.802 1.00 25.53 N ATOM 2557 NH2 ARG B 63 -21.521 1.684 13.606 1.00 23.45 N ATOM 0 H ARG B 63 -17.691 -2.048 12.163 1.00 13.13 H new ATOM 0 HA ARG B 63 -19.391 -1.271 9.976 1.00 40.34 H new ATOM 0 HB2 ARG B 63 -18.299 0.154 11.908 1.00 14.31 H new ATOM 0 HB3 ARG B 63 -16.849 0.121 10.924 1.00 14.31 H new ATOM 0 HG2 ARG B 63 -17.936 2.184 10.399 1.00 64.45 H new ATOM 0 HG3 ARG B 63 -18.225 1.141 9.020 1.00 64.45 H new ATOM 0 HD2 ARG B 63 -20.314 2.289 9.594 1.00 34.10 H new ATOM 0 HD3 ARG B 63 -20.501 0.579 9.931 1.00 34.10 H new ATOM 0 HE ARG B 63 -19.699 2.440 12.137 1.00 52.11 H new ATOM 0 HH11 ARG B 63 -22.127 0.189 10.833 1.00 25.53 H new ATOM 0 HH12 ARG B 63 -23.025 0.138 12.353 1.00 25.53 H new ATOM 0 HH21 ARG B 63 -20.850 2.319 14.038 1.00 23.45 H new ATOM 0 HH22 ARG B 63 -22.310 1.331 14.147 1.00 23.45 H new ATOM 2571 N LEU B 64 -16.249 -2.205 9.431 1.00 33.11 N ATOM 2572 CA LEU B 64 -15.183 -2.556 8.452 1.00 30.24 C ATOM 2573 C LEU B 64 -15.745 -3.535 7.401 1.00 30.15 C ATOM 2574 O LEU B 64 -15.460 -3.408 6.219 1.00 74.51 O ATOM 2575 CB LEU B 64 -13.975 -3.206 9.213 1.00 35.34 C ATOM 2576 CG LEU B 64 -12.510 -3.089 8.643 1.00 21.44 C ATOM 2577 CD1 LEU B 64 -12.385 -3.507 7.182 1.00 13.20 C ATOM 2578 CD2 LEU B 64 -11.896 -1.695 8.894 1.00 22.44 C ATOM 0 H LEU B 64 -15.984 -2.410 10.395 1.00 33.11 H new ATOM 0 HA LEU B 64 -14.840 -1.656 7.942 1.00 30.24 H new ATOM 0 HB2 LEU B 64 -13.963 -2.783 10.218 1.00 35.34 H new ATOM 0 HB3 LEU B 64 -14.195 -4.268 9.317 1.00 35.34 H new ATOM 0 HG LEU B 64 -11.923 -3.813 9.209 1.00 21.44 H new ATOM 0 HD11 LEU B 64 -11.349 -3.400 6.860 1.00 13.20 H new ATOM 0 HD12 LEU B 64 -12.693 -4.547 7.073 1.00 13.20 H new ATOM 0 HD13 LEU B 64 -13.024 -2.874 6.566 1.00 13.20 H new ATOM 0 HD21 LEU B 64 -10.887 -1.663 8.484 1.00 22.44 H new ATOM 0 HD22 LEU B 64 -12.509 -0.935 8.410 1.00 22.44 H new ATOM 0 HD23 LEU B 64 -11.858 -1.502 9.966 1.00 22.44 H new ATOM 2590 N GLU B 65 -16.563 -4.492 7.878 1.00 4.50 N ATOM 2591 CA GLU B 65 -17.183 -5.550 7.050 1.00 10.14 C ATOM 2592 C GLU B 65 -18.072 -4.973 5.934 1.00 73.50 C ATOM 2593 O GLU B 65 -18.170 -5.557 4.851 1.00 4.41 O ATOM 2594 CB GLU B 65 -18.007 -6.487 7.957 1.00 32.20 C ATOM 2595 CG GLU B 65 -17.177 -7.168 9.060 1.00 23.21 C ATOM 2596 CD GLU B 65 -18.003 -8.131 9.912 1.00 70.23 C ATOM 2597 OE1 GLU B 65 -18.214 -9.286 9.478 1.00 31.15 O ATOM 2598 OE2 GLU B 65 -18.478 -7.742 11.000 1.00 63.13 O ATOM 0 H GLU B 65 -16.817 -4.555 8.864 1.00 4.50 H new ATOM 0 HA GLU B 65 -16.383 -6.107 6.562 1.00 10.14 H new ATOM 0 HB2 GLU B 65 -18.811 -5.915 8.420 1.00 32.20 H new ATOM 0 HB3 GLU B 65 -18.476 -7.255 7.341 1.00 32.20 H new ATOM 0 HG2 GLU B 65 -16.350 -7.712 8.603 1.00 23.21 H new ATOM 0 HG3 GLU B 65 -16.740 -6.404 9.703 1.00 23.21 H new ATOM 2605 N GLN B 66 -18.706 -3.826 6.217 1.00 52.10 N ATOM 2606 CA GLN B 66 -19.546 -3.106 5.241 1.00 1.23 C ATOM 2607 C GLN B 66 -18.672 -2.428 4.178 1.00 65.13 C ATOM 2608 O GLN B 66 -19.048 -2.371 3.006 1.00 43.51 O ATOM 2609 CB GLN B 66 -20.434 -2.061 5.958 1.00 72.40 C ATOM 2610 CG GLN B 66 -21.373 -2.649 7.029 1.00 34.14 C ATOM 2611 CD GLN B 66 -22.278 -3.770 6.507 1.00 33.13 C ATOM 2612 OE1 GLN B 66 -21.939 -4.952 6.582 1.00 61.35 O ATOM 2613 NE2 GLN B 66 -23.427 -3.406 5.960 1.00 11.25 N ATOM 0 H GLN B 66 -18.653 -3.369 7.127 1.00 52.10 H new ATOM 0 HA GLN B 66 -20.195 -3.828 4.745 1.00 1.23 H new ATOM 0 HB2 GLN B 66 -19.791 -1.316 6.426 1.00 72.40 H new ATOM 0 HB3 GLN B 66 -21.035 -1.540 5.212 1.00 72.40 H new ATOM 0 HG2 GLN B 66 -20.773 -3.033 7.854 1.00 34.14 H new ATOM 0 HG3 GLN B 66 -21.995 -1.850 7.432 1.00 34.14 H new ATOM 0 HE21 GLN B 66 -23.679 -2.419 5.913 1.00 11.25 H new ATOM 0 HE22 GLN B 66 -24.060 -4.113 5.586 1.00 11.25 H new ATOM 2622 N MET B 67 -17.498 -1.926 4.609 1.00 24.03 N ATOM 2623 CA MET B 67 -16.485 -1.351 3.704 1.00 10.02 C ATOM 2624 C MET B 67 -15.879 -2.441 2.790 1.00 60.23 C ATOM 2625 O MET B 67 -15.622 -2.181 1.612 1.00 40.31 O ATOM 2626 CB MET B 67 -15.365 -0.620 4.504 1.00 14.53 C ATOM 2627 CG MET B 67 -15.755 0.758 5.065 1.00 35.53 C ATOM 2628 SD MET B 67 -17.135 0.709 6.225 1.00 73.35 S ATOM 2629 CE MET B 67 -17.263 2.438 6.685 1.00 74.51 C ATOM 0 H MET B 67 -17.226 -1.908 5.592 1.00 24.03 H new ATOM 0 HA MET B 67 -16.984 -0.615 3.074 1.00 10.02 H new ATOM 0 HB2 MET B 67 -15.057 -1.258 5.332 1.00 14.53 H new ATOM 0 HB3 MET B 67 -14.497 -0.498 3.855 1.00 14.53 H new ATOM 0 HG2 MET B 67 -14.890 1.195 5.563 1.00 35.53 H new ATOM 0 HG3 MET B 67 -16.013 1.417 4.236 1.00 35.53 H new ATOM 0 HE1 MET B 67 -18.203 2.606 7.210 1.00 74.51 H new ATOM 0 HE2 MET B 67 -16.431 2.704 7.337 1.00 74.51 H new ATOM 0 HE3 MET B 67 -17.233 3.056 5.788 1.00 74.51 H new ATOM 2639 N ILE B 68 -15.674 -3.660 3.348 1.00 31.14 N ATOM 2640 CA ILE B 68 -15.172 -4.832 2.590 1.00 23.12 C ATOM 2641 C ILE B 68 -16.219 -5.244 1.532 1.00 43.31 C ATOM 2642 O ILE B 68 -15.886 -5.502 0.373 1.00 25.52 O ATOM 2643 CB ILE B 68 -14.875 -6.072 3.529 1.00 11.03 C ATOM 2644 CG1 ILE B 68 -13.857 -5.720 4.657 1.00 72.34 C ATOM 2645 CG2 ILE B 68 -14.357 -7.284 2.708 1.00 33.20 C ATOM 2646 CD1 ILE B 68 -13.667 -6.823 5.699 1.00 43.43 C ATOM 0 H ILE B 68 -15.852 -3.857 4.333 1.00 31.14 H new ATOM 0 HA ILE B 68 -14.235 -4.538 2.116 1.00 23.12 H new ATOM 0 HB ILE B 68 -15.820 -6.342 4.000 1.00 11.03 H new ATOM 0 HG12 ILE B 68 -12.892 -5.495 4.202 1.00 72.34 H new ATOM 0 HG13 ILE B 68 -14.191 -4.813 5.161 1.00 72.34 H new ATOM 0 HG21 ILE B 68 -14.161 -8.121 3.379 1.00 33.20 H new ATOM 0 HG22 ILE B 68 -15.109 -7.575 1.975 1.00 33.20 H new ATOM 0 HG23 ILE B 68 -13.436 -7.008 2.194 1.00 33.20 H new ATOM 0 HD11 ILE B 68 -12.944 -6.497 6.446 1.00 43.43 H new ATOM 0 HD12 ILE B 68 -14.620 -7.033 6.184 1.00 43.43 H new ATOM 0 HD13 ILE B 68 -13.302 -7.726 5.210 1.00 43.43 H new ATOM 2658 N SER B 69 -17.488 -5.262 1.967 1.00 31.11 N ATOM 2659 CA SER B 69 -18.628 -5.657 1.135 1.00 73.01 C ATOM 2660 C SER B 69 -18.867 -4.640 0.000 1.00 70.15 C ATOM 2661 O SER B 69 -19.261 -5.023 -1.105 1.00 40.44 O ATOM 2662 CB SER B 69 -19.887 -5.799 2.021 1.00 10.41 C ATOM 2663 OG SER B 69 -21.005 -6.237 1.272 1.00 13.11 O ATOM 0 H SER B 69 -17.751 -4.999 2.917 1.00 31.11 H new ATOM 0 HA SER B 69 -18.408 -6.618 0.670 1.00 73.01 H new ATOM 0 HB2 SER B 69 -19.688 -6.506 2.826 1.00 10.41 H new ATOM 0 HB3 SER B 69 -20.114 -4.841 2.488 1.00 10.41 H new ATOM 0 HG SER B 69 -21.783 -6.318 1.862 1.00 13.11 H new ATOM 2669 N GLN B 70 -18.609 -3.349 0.294 1.00 53.10 N ATOM 2670 CA GLN B 70 -18.781 -2.247 -0.667 1.00 54.13 C ATOM 2671 C GLN B 70 -17.703 -2.339 -1.752 1.00 72.14 C ATOM 2672 O GLN B 70 -18.011 -2.351 -2.951 1.00 5.01 O ATOM 2673 CB GLN B 70 -18.719 -0.874 0.082 1.00 10.24 C ATOM 2674 CG GLN B 70 -19.159 0.383 -0.730 1.00 24.25 C ATOM 2675 CD GLN B 70 -18.182 0.868 -1.816 1.00 14.34 C ATOM 2676 OE1 GLN B 70 -18.596 1.369 -2.861 1.00 72.10 O ATOM 2677 NE2 GLN B 70 -16.884 0.773 -1.562 1.00 74.43 N ATOM 0 H GLN B 70 -18.275 -3.044 1.208 1.00 53.10 H new ATOM 0 HA GLN B 70 -19.757 -2.325 -1.147 1.00 54.13 H new ATOM 0 HB2 GLN B 70 -19.346 -0.942 0.971 1.00 10.24 H new ATOM 0 HB3 GLN B 70 -17.696 -0.718 0.424 1.00 10.24 H new ATOM 0 HG2 GLN B 70 -20.117 0.167 -1.203 1.00 24.25 H new ATOM 0 HG3 GLN B 70 -19.327 1.201 -0.030 1.00 24.25 H new ATOM 0 HE21 GLN B 70 -16.565 0.354 -0.689 1.00 74.43 H new ATOM 0 HE22 GLN B 70 -16.205 1.119 -2.240 1.00 74.43 H new ATOM 2686 N ILE B 71 -16.430 -2.412 -1.305 1.00 5.21 N ATOM 2687 CA ILE B 71 -15.263 -2.388 -2.201 1.00 53.30 C ATOM 2688 C ILE B 71 -15.219 -3.645 -3.089 1.00 54.02 C ATOM 2689 O ILE B 71 -14.716 -3.600 -4.214 1.00 11.43 O ATOM 2690 CB ILE B 71 -13.912 -2.218 -1.419 1.00 52.43 C ATOM 2691 CG1 ILE B 71 -12.753 -1.852 -2.400 1.00 53.35 C ATOM 2692 CG2 ILE B 71 -13.563 -3.475 -0.578 1.00 63.10 C ATOM 2693 CD1 ILE B 71 -11.384 -1.801 -1.769 1.00 11.23 C ATOM 0 H ILE B 71 -16.188 -2.489 -0.317 1.00 5.21 H new ATOM 0 HA ILE B 71 -15.379 -1.513 -2.841 1.00 53.30 H new ATOM 0 HB ILE B 71 -14.040 -1.395 -0.716 1.00 52.43 H new ATOM 0 HG12 ILE B 71 -12.737 -2.581 -3.210 1.00 53.35 H new ATOM 0 HG13 ILE B 71 -12.968 -0.882 -2.848 1.00 53.35 H new ATOM 0 HG21 ILE B 71 -12.621 -3.312 -0.054 1.00 63.10 H new ATOM 0 HG22 ILE B 71 -14.355 -3.658 0.148 1.00 63.10 H new ATOM 0 HG23 ILE B 71 -13.468 -4.338 -1.236 1.00 63.10 H new ATOM 0 HD11 ILE B 71 -10.644 -1.540 -2.526 1.00 11.23 H new ATOM 0 HD12 ILE B 71 -11.375 -1.051 -0.979 1.00 11.23 H new ATOM 0 HD13 ILE B 71 -11.142 -2.776 -1.346 1.00 11.23 H new ATOM 2705 N ASP B 72 -15.776 -4.753 -2.568 1.00 14.51 N ATOM 2706 CA ASP B 72 -15.891 -6.018 -3.301 1.00 62.22 C ATOM 2707 C ASP B 72 -16.690 -5.837 -4.612 1.00 52.44 C ATOM 2708 O ASP B 72 -16.357 -6.432 -5.637 1.00 42.23 O ATOM 2709 CB ASP B 72 -16.537 -7.094 -2.383 1.00 22.13 C ATOM 2710 CG ASP B 72 -16.948 -8.380 -3.122 1.00 31.22 C ATOM 2711 OD1 ASP B 72 -16.080 -9.007 -3.761 1.00 24.45 O ATOM 2712 OD2 ASP B 72 -18.142 -8.763 -3.077 1.00 13.41 O ATOM 0 H ASP B 72 -16.159 -4.792 -1.623 1.00 14.51 H new ATOM 0 HA ASP B 72 -14.893 -6.354 -3.584 1.00 62.22 H new ATOM 0 HB2 ASP B 72 -15.834 -7.351 -1.591 1.00 22.13 H new ATOM 0 HB3 ASP B 72 -17.417 -6.666 -1.902 1.00 22.13 H new ATOM 2717 N LYS B 73 -17.711 -4.957 -4.573 1.00 12.44 N ATOM 2718 CA LYS B 73 -18.614 -4.721 -5.722 1.00 43.32 C ATOM 2719 C LYS B 73 -17.975 -3.803 -6.784 1.00 72.30 C ATOM 2720 O LYS B 73 -18.557 -3.610 -7.857 1.00 21.55 O ATOM 2721 CB LYS B 73 -19.973 -4.142 -5.236 1.00 34.44 C ATOM 2722 CG LYS B 73 -20.631 -4.937 -4.083 1.00 41.35 C ATOM 2723 CD LYS B 73 -20.697 -6.462 -4.356 1.00 62.53 C ATOM 2724 CE LYS B 73 -21.296 -7.254 -3.185 1.00 61.44 C ATOM 2725 NZ LYS B 73 -21.144 -8.722 -3.380 1.00 52.45 N ATOM 0 H LYS B 73 -17.933 -4.393 -3.752 1.00 12.44 H new ATOM 0 HA LYS B 73 -18.793 -5.684 -6.199 1.00 43.32 H new ATOM 0 HB2 LYS B 73 -19.820 -3.113 -4.911 1.00 34.44 H new ATOM 0 HB3 LYS B 73 -20.663 -4.110 -6.079 1.00 34.44 H new ATOM 0 HG2 LYS B 73 -20.072 -4.762 -3.164 1.00 41.35 H new ATOM 0 HG3 LYS B 73 -21.640 -4.559 -3.919 1.00 41.35 H new ATOM 0 HD2 LYS B 73 -21.293 -6.640 -5.251 1.00 62.53 H new ATOM 0 HD3 LYS B 73 -19.693 -6.833 -4.563 1.00 62.53 H new ATOM 0 HE2 LYS B 73 -20.807 -6.957 -2.257 1.00 61.44 H new ATOM 0 HE3 LYS B 73 -22.353 -7.008 -3.082 1.00 61.44 H new ATOM 0 HZ1 LYS B 73 -21.676 -9.227 -2.643 1.00 52.45 H new ATOM 0 HZ2 LYS B 73 -21.512 -8.988 -4.316 1.00 52.45 H new ATOM 0 HZ3 LYS B 73 -20.138 -8.978 -3.318 1.00 52.45 H new ATOM 2739 N LEU B 74 -16.787 -3.245 -6.480 1.00 10.21 N ATOM 2740 CA LEU B 74 -15.993 -2.446 -7.439 1.00 42.41 C ATOM 2741 C LEU B 74 -15.345 -3.374 -8.482 1.00 41.02 C ATOM 2742 O LEU B 74 -15.009 -4.525 -8.177 1.00 11.31 O ATOM 2743 CB LEU B 74 -14.894 -1.606 -6.700 1.00 45.34 C ATOM 2744 CG LEU B 74 -15.332 -0.218 -6.109 1.00 51.10 C ATOM 2745 CD1 LEU B 74 -15.680 0.779 -7.240 1.00 15.33 C ATOM 2746 CD2 LEU B 74 -16.505 -0.352 -5.108 1.00 61.02 C ATOM 0 H LEU B 74 -16.349 -3.334 -5.563 1.00 10.21 H new ATOM 0 HA LEU B 74 -16.663 -1.751 -7.945 1.00 42.41 H new ATOM 0 HB2 LEU B 74 -14.497 -2.211 -5.885 1.00 45.34 H new ATOM 0 HB3 LEU B 74 -14.074 -1.433 -7.397 1.00 45.34 H new ATOM 0 HG LEU B 74 -14.481 0.176 -5.553 1.00 51.10 H new ATOM 0 HD11 LEU B 74 -15.980 1.732 -6.805 1.00 15.33 H new ATOM 0 HD12 LEU B 74 -14.807 0.929 -7.875 1.00 15.33 H new ATOM 0 HD13 LEU B 74 -16.499 0.379 -7.838 1.00 15.33 H new ATOM 0 HD21 LEU B 74 -16.772 0.633 -4.727 1.00 61.02 H new ATOM 0 HD22 LEU B 74 -17.366 -0.791 -5.613 1.00 61.02 H new ATOM 0 HD23 LEU B 74 -16.204 -0.993 -4.279 1.00 61.02 H new ATOM 2758 N GLU B 75 -15.147 -2.831 -9.698 1.00 62.53 N ATOM 2759 CA GLU B 75 -14.497 -3.540 -10.825 1.00 53.41 C ATOM 2760 C GLU B 75 -12.986 -3.720 -10.584 1.00 63.22 C ATOM 2761 O GLU B 75 -12.304 -4.422 -11.341 1.00 43.03 O ATOM 2762 CB GLU B 75 -14.757 -2.766 -12.142 1.00 12.31 C ATOM 2763 CG GLU B 75 -16.254 -2.611 -12.482 1.00 11.23 C ATOM 2764 CD GLU B 75 -16.506 -1.756 -13.727 1.00 1.11 C ATOM 2765 OE1 GLU B 75 -16.496 -2.303 -14.848 1.00 15.41 O ATOM 2766 OE2 GLU B 75 -16.698 -0.530 -13.591 1.00 10.02 O ATOM 0 H GLU B 75 -15.435 -1.881 -9.931 1.00 62.53 H new ATOM 0 HA GLU B 75 -14.930 -4.537 -10.903 1.00 53.41 H new ATOM 0 HB2 GLU B 75 -14.306 -1.777 -12.067 1.00 12.31 H new ATOM 0 HB3 GLU B 75 -14.258 -3.283 -12.962 1.00 12.31 H new ATOM 0 HG2 GLU B 75 -16.689 -3.599 -12.634 1.00 11.23 H new ATOM 0 HG3 GLU B 75 -16.768 -2.163 -11.632 1.00 11.23 H new ATOM 2773 N ASP B 76 -12.477 -3.053 -9.537 1.00 63.54 N ATOM 2774 CA ASP B 76 -11.100 -3.208 -9.078 1.00 23.22 C ATOM 2775 C ASP B 76 -10.923 -4.592 -8.448 1.00 2.21 C ATOM 2776 O ASP B 76 -10.128 -5.403 -8.927 1.00 21.33 O ATOM 2777 CB ASP B 76 -10.775 -2.123 -8.018 1.00 54.03 C ATOM 2778 CG ASP B 76 -11.061 -0.688 -8.487 1.00 42.24 C ATOM 2779 OD1 ASP B 76 -10.178 -0.058 -9.096 1.00 40.33 O ATOM 2780 OD2 ASP B 76 -12.171 -0.177 -8.232 1.00 41.45 O ATOM 0 H ASP B 76 -13.018 -2.388 -8.985 1.00 63.54 H new ATOM 0 HA ASP B 76 -10.426 -3.101 -9.928 1.00 23.22 H new ATOM 0 HB2 ASP B 76 -11.356 -2.323 -7.118 1.00 54.03 H new ATOM 0 HB3 ASP B 76 -9.723 -2.202 -7.743 1.00 54.03 H new ATOM 2785 N VAL B 77 -11.754 -4.864 -7.427 1.00 31.45 N ATOM 2786 CA VAL B 77 -11.676 -6.080 -6.623 1.00 54.11 C ATOM 2787 C VAL B 77 -12.303 -7.253 -7.388 1.00 55.45 C ATOM 2788 O VAL B 77 -13.529 -7.408 -7.436 1.00 74.24 O ATOM 2789 CB VAL B 77 -12.357 -5.867 -5.217 1.00 62.25 C ATOM 2790 CG1 VAL B 77 -12.455 -7.183 -4.409 1.00 54.21 C ATOM 2791 CG2 VAL B 77 -11.595 -4.794 -4.404 1.00 70.05 C ATOM 0 H VAL B 77 -12.504 -4.235 -7.140 1.00 31.45 H new ATOM 0 HA VAL B 77 -10.629 -6.319 -6.438 1.00 54.11 H new ATOM 0 HB VAL B 77 -13.374 -5.522 -5.401 1.00 62.25 H new ATOM 0 HG11 VAL B 77 -12.931 -6.986 -3.448 1.00 54.21 H new ATOM 0 HG12 VAL B 77 -13.048 -7.908 -4.966 1.00 54.21 H new ATOM 0 HG13 VAL B 77 -11.455 -7.583 -4.243 1.00 54.21 H new ATOM 0 HG21 VAL B 77 -12.078 -4.659 -3.436 1.00 70.05 H new ATOM 0 HG22 VAL B 77 -10.564 -5.115 -4.253 1.00 70.05 H new ATOM 0 HG23 VAL B 77 -11.605 -3.850 -4.949 1.00 70.05 H new ATOM 2801 N VAL B 78 -11.430 -8.036 -8.030 1.00 74.41 N ATOM 2802 CA VAL B 78 -11.807 -9.261 -8.745 1.00 73.42 C ATOM 2803 C VAL B 78 -12.239 -10.324 -7.710 1.00 4.44 C ATOM 2804 O VAL B 78 -13.255 -11.003 -7.882 1.00 13.31 O ATOM 2805 CB VAL B 78 -10.605 -9.798 -9.621 1.00 63.22 C ATOM 2806 CG1 VAL B 78 -11.054 -10.911 -10.595 1.00 21.24 C ATOM 2807 CG2 VAL B 78 -9.903 -8.641 -10.376 1.00 14.42 C ATOM 0 H VAL B 78 -10.431 -7.835 -8.069 1.00 74.41 H new ATOM 0 HA VAL B 78 -12.634 -9.045 -9.421 1.00 73.42 H new ATOM 0 HB VAL B 78 -9.881 -10.242 -8.938 1.00 63.22 H new ATOM 0 HG11 VAL B 78 -10.198 -11.252 -11.178 1.00 21.24 H new ATOM 0 HG12 VAL B 78 -11.463 -11.747 -10.028 1.00 21.24 H new ATOM 0 HG13 VAL B 78 -11.818 -10.520 -11.267 1.00 21.24 H new ATOM 0 HG21 VAL B 78 -9.081 -9.040 -10.970 1.00 14.42 H new ATOM 0 HG22 VAL B 78 -10.619 -8.148 -11.033 1.00 14.42 H new ATOM 0 HG23 VAL B 78 -9.514 -7.920 -9.657 1.00 14.42 H new ATOM 2817 N LYS B 79 -11.443 -10.427 -6.621 1.00 64.05 N ATOM 2818 CA LYS B 79 -11.726 -11.296 -5.454 1.00 52.11 C ATOM 2819 C LYS B 79 -11.314 -10.577 -4.158 1.00 61.54 C ATOM 2820 O LYS B 79 -10.390 -9.760 -4.169 1.00 53.44 O ATOM 2821 CB LYS B 79 -10.962 -12.653 -5.543 1.00 64.44 C ATOM 2822 CG LYS B 79 -11.418 -13.585 -6.687 1.00 54.33 C ATOM 2823 CD LYS B 79 -10.653 -14.929 -6.699 1.00 4.32 C ATOM 2824 CE LYS B 79 -11.099 -15.861 -7.839 1.00 3.03 C ATOM 2825 NZ LYS B 79 -10.375 -17.161 -7.814 1.00 4.14 N ATOM 0 H LYS B 79 -10.574 -9.902 -6.526 1.00 64.05 H new ATOM 0 HA LYS B 79 -12.796 -11.503 -5.452 1.00 52.11 H new ATOM 0 HB2 LYS B 79 -9.899 -12.447 -5.665 1.00 64.44 H new ATOM 0 HB3 LYS B 79 -11.078 -13.181 -4.596 1.00 64.44 H new ATOM 0 HG2 LYS B 79 -12.486 -13.780 -6.588 1.00 54.33 H new ATOM 0 HG3 LYS B 79 -11.273 -13.080 -7.642 1.00 54.33 H new ATOM 0 HD2 LYS B 79 -9.585 -14.733 -6.794 1.00 4.32 H new ATOM 0 HD3 LYS B 79 -10.801 -15.434 -5.744 1.00 4.32 H new ATOM 0 HE2 LYS B 79 -12.171 -16.042 -7.761 1.00 3.03 H new ATOM 0 HE3 LYS B 79 -10.928 -15.369 -8.797 1.00 3.03 H new ATOM 0 HZ1 LYS B 79 -10.706 -17.758 -8.599 1.00 4.14 H new ATOM 0 HZ2 LYS B 79 -9.354 -16.992 -7.915 1.00 4.14 H new ATOM 0 HZ3 LYS B 79 -10.558 -17.643 -6.911 1.00 4.14 H new ATOM 2839 N VAL B 80 -12.007 -10.886 -3.048 1.00 52.30 N ATOM 2840 CA VAL B 80 -11.639 -10.419 -1.689 1.00 54.23 C ATOM 2841 C VAL B 80 -11.609 -11.645 -0.737 1.00 41.22 C ATOM 2842 O VAL B 80 -12.402 -12.584 -0.908 1.00 14.12 O ATOM 2843 CB VAL B 80 -12.623 -9.290 -1.159 1.00 65.30 C ATOM 2844 CG1 VAL B 80 -14.053 -9.825 -0.894 1.00 12.23 C ATOM 2845 CG2 VAL B 80 -12.039 -8.567 0.084 1.00 20.04 C ATOM 0 H VAL B 80 -12.843 -11.470 -3.063 1.00 52.30 H new ATOM 0 HA VAL B 80 -10.651 -9.960 -1.725 1.00 54.23 H new ATOM 0 HB VAL B 80 -12.714 -8.553 -1.957 1.00 65.30 H new ATOM 0 HG11 VAL B 80 -14.684 -9.013 -0.534 1.00 12.23 H new ATOM 0 HG12 VAL B 80 -14.469 -10.225 -1.819 1.00 12.23 H new ATOM 0 HG13 VAL B 80 -14.013 -10.614 -0.143 1.00 12.23 H new ATOM 0 HG21 VAL B 80 -12.737 -7.801 0.421 1.00 20.04 H new ATOM 0 HG22 VAL B 80 -11.880 -9.290 0.884 1.00 20.04 H new ATOM 0 HG23 VAL B 80 -11.089 -8.102 -0.179 1.00 20.04 H new ATOM 2855 N GLN B 81 -10.688 -11.642 0.247 1.00 63.33 N ATOM 2856 CA GLN B 81 -10.448 -12.799 1.133 1.00 74.41 C ATOM 2857 C GLN B 81 -9.954 -12.327 2.518 1.00 73.22 C ATOM 2858 O GLN B 81 -8.957 -11.599 2.621 1.00 42.40 O ATOM 2859 CB GLN B 81 -9.411 -13.763 0.479 1.00 61.13 C ATOM 2860 CG GLN B 81 -9.055 -15.010 1.322 1.00 2.22 C ATOM 2861 CD GLN B 81 -8.048 -15.939 0.632 1.00 4.21 C ATOM 2862 OE1 GLN B 81 -8.418 -16.874 -0.075 1.00 62.13 O ATOM 2863 NE2 GLN B 81 -6.770 -15.681 0.821 1.00 13.42 N ATOM 0 H GLN B 81 -10.091 -10.840 0.450 1.00 63.33 H new ATOM 0 HA GLN B 81 -11.386 -13.336 1.273 1.00 74.41 H new ATOM 0 HB2 GLN B 81 -9.801 -14.093 -0.484 1.00 61.13 H new ATOM 0 HB3 GLN B 81 -8.496 -13.206 0.278 1.00 61.13 H new ATOM 0 HG2 GLN B 81 -8.646 -14.688 2.280 1.00 2.22 H new ATOM 0 HG3 GLN B 81 -9.967 -15.568 1.536 1.00 2.22 H new ATOM 0 HE21 GLN B 81 -6.490 -14.899 1.413 1.00 13.42 H new ATOM 0 HE22 GLN B 81 -6.061 -16.263 0.376 1.00 13.42 H new ATOM 2872 N ARG B 82 -10.666 -12.755 3.573 1.00 62.32 N ATOM 2873 CA ARG B 82 -10.296 -12.484 4.971 1.00 51.52 C ATOM 2874 C ARG B 82 -9.367 -13.606 5.481 1.00 74.40 C ATOM 2875 O ARG B 82 -9.811 -14.753 5.620 1.00 43.12 O ATOM 2876 CB ARG B 82 -11.560 -12.436 5.877 1.00 20.55 C ATOM 2877 CG ARG B 82 -12.651 -11.428 5.468 1.00 23.14 C ATOM 2878 CD ARG B 82 -13.819 -11.428 6.472 1.00 54.52 C ATOM 2879 NE ARG B 82 -14.919 -10.519 6.096 1.00 25.04 N ATOM 2880 CZ ARG B 82 -15.942 -10.194 6.910 1.00 62.33 C ATOM 2881 NH1 ARG B 82 -16.013 -10.688 8.144 1.00 52.23 N ATOM 2882 NH2 ARG B 82 -16.900 -9.387 6.482 1.00 43.11 N ATOM 0 H ARG B 82 -11.521 -13.303 3.479 1.00 62.32 H new ATOM 0 HA ARG B 82 -9.790 -11.519 5.012 1.00 51.52 H new ATOM 0 HB2 ARG B 82 -12.004 -13.431 5.899 1.00 20.55 H new ATOM 0 HB3 ARG B 82 -11.244 -12.205 6.894 1.00 20.55 H new ATOM 0 HG2 ARG B 82 -12.221 -10.428 5.407 1.00 23.14 H new ATOM 0 HG3 ARG B 82 -13.023 -11.676 4.474 1.00 23.14 H new ATOM 0 HD2 ARG B 82 -14.210 -12.441 6.562 1.00 54.52 H new ATOM 0 HD3 ARG B 82 -13.443 -11.143 7.455 1.00 54.52 H new ATOM 0 HE ARG B 82 -14.904 -10.111 5.161 1.00 25.04 H new ATOM 0 HH11 ARG B 82 -15.288 -11.320 8.483 1.00 52.23 H new ATOM 0 HH12 ARG B 82 -16.793 -10.434 8.751 1.00 52.23 H new ATOM 0 HH21 ARG B 82 -16.864 -9.010 5.535 1.00 43.11 H new ATOM 0 HH22 ARG B 82 -17.674 -9.142 7.099 1.00 43.11 H new ATOM 2896 N ASN B 83 -8.095 -13.276 5.751 1.00 1.44 N ATOM 2897 CA ASN B 83 -7.106 -14.235 6.312 1.00 74.21 C ATOM 2898 C ASN B 83 -6.957 -14.001 7.819 1.00 3.11 C ATOM 2899 O ASN B 83 -7.143 -12.869 8.301 1.00 14.14 O ATOM 2900 CB ASN B 83 -5.715 -14.081 5.640 1.00 42.20 C ATOM 2901 CG ASN B 83 -5.730 -14.241 4.123 1.00 14.33 C ATOM 2902 OD1 ASN B 83 -6.509 -15.007 3.567 1.00 3.33 O ATOM 2903 ND2 ASN B 83 -4.873 -13.500 3.447 1.00 44.14 N ATOM 0 H ASN B 83 -7.715 -12.343 5.591 1.00 1.44 H new ATOM 0 HA ASN B 83 -7.475 -15.242 6.117 1.00 74.21 H new ATOM 0 HB2 ASN B 83 -5.312 -13.098 5.886 1.00 42.20 H new ATOM 0 HB3 ASN B 83 -5.035 -14.820 6.065 1.00 42.20 H new ATOM 0 HD21 ASN B 83 -4.844 -13.554 2.429 1.00 44.14 H new ATOM 0 HD22 ASN B 83 -4.239 -12.873 3.943 1.00 44.14 H new ATOM 2910 N GLN B 84 -6.592 -15.066 8.549 1.00 11.25 N ATOM 2911 CA GLN B 84 -6.297 -14.980 9.988 1.00 44.45 C ATOM 2912 C GLN B 84 -4.829 -14.563 10.155 1.00 21.35 C ATOM 2913 O GLN B 84 -3.971 -14.933 9.336 1.00 32.50 O ATOM 2914 CB GLN B 84 -6.579 -16.341 10.690 1.00 21.24 C ATOM 2915 CG GLN B 84 -5.682 -17.519 10.247 1.00 54.44 C ATOM 2916 CD GLN B 84 -6.136 -18.858 10.831 1.00 40.42 C ATOM 2917 OE1 GLN B 84 -6.789 -19.653 10.154 1.00 60.21 O ATOM 2918 NE2 GLN B 84 -5.899 -19.063 12.117 1.00 3.11 N ATOM 0 H GLN B 84 -6.493 -16.005 8.162 1.00 11.25 H new ATOM 0 HA GLN B 84 -6.942 -14.238 10.458 1.00 44.45 H new ATOM 0 HB2 GLN B 84 -6.465 -16.205 11.765 1.00 21.24 H new ATOM 0 HB3 GLN B 84 -7.619 -16.613 10.512 1.00 21.24 H new ATOM 0 HG2 GLN B 84 -5.684 -17.582 9.159 1.00 54.44 H new ATOM 0 HG3 GLN B 84 -4.654 -17.323 10.553 1.00 54.44 H new ATOM 0 HE21 GLN B 84 -5.354 -18.385 12.650 1.00 3.11 H new ATOM 0 HE22 GLN B 84 -6.261 -19.899 12.575 1.00 3.11 H new ATOM 2927 N SER B 85 -4.563 -13.763 11.193 1.00 33.25 N ATOM 2928 CA SER B 85 -3.249 -13.158 11.398 1.00 24.44 C ATOM 2929 C SER B 85 -2.232 -14.185 11.910 1.00 23.45 C ATOM 2930 O SER B 85 -2.529 -14.985 12.806 1.00 64.31 O ATOM 2931 CB SER B 85 -3.346 -11.952 12.338 1.00 53.32 C ATOM 2932 OG SER B 85 -2.146 -11.198 12.332 1.00 32.41 O ATOM 0 H SER B 85 -5.249 -13.520 11.908 1.00 33.25 H new ATOM 0 HA SER B 85 -2.891 -12.803 10.432 1.00 24.44 H new ATOM 0 HB2 SER B 85 -4.179 -11.317 12.034 1.00 53.32 H new ATOM 0 HB3 SER B 85 -3.559 -12.294 13.351 1.00 53.32 H new ATOM 0 HG SER B 85 -2.007 -10.798 13.216 1.00 32.41 H new ATOM 2938 N ASP B 86 -1.046 -14.143 11.308 1.00 32.43 N ATOM 2939 CA ASP B 86 0.061 -15.049 11.596 1.00 0.12 C ATOM 2940 C ASP B 86 1.374 -14.279 11.347 1.00 11.31 C ATOM 2941 O ASP B 86 1.535 -13.700 10.267 1.00 72.41 O ATOM 2942 CB ASP B 86 -0.057 -16.321 10.703 1.00 74.31 C ATOM 2943 CG ASP B 86 1.151 -17.274 10.779 1.00 73.24 C ATOM 2944 OD1 ASP B 86 1.438 -17.815 11.867 1.00 13.52 O ATOM 2945 OD2 ASP B 86 1.819 -17.493 9.748 1.00 31.42 O ATOM 0 H ASP B 86 -0.823 -13.458 10.586 1.00 32.43 H new ATOM 0 HA ASP B 86 0.042 -15.387 12.632 1.00 0.12 H new ATOM 0 HB2 ASP B 86 -0.954 -16.869 10.991 1.00 74.31 H new ATOM 0 HB3 ASP B 86 -0.193 -16.010 9.667 1.00 74.31 H new ATOM 2950 N PRO B 87 2.320 -14.228 12.346 1.00 23.12 N ATOM 2951 CA PRO B 87 3.586 -13.438 12.237 1.00 31.34 C ATOM 2952 C PRO B 87 4.451 -13.834 11.014 1.00 62.11 C ATOM 2953 O PRO B 87 5.124 -12.982 10.415 1.00 44.22 O ATOM 2954 CB PRO B 87 4.322 -13.743 13.582 1.00 52.02 C ATOM 2955 CG PRO B 87 3.677 -14.999 14.102 1.00 44.13 C ATOM 2956 CD PRO B 87 2.233 -14.912 13.668 1.00 31.01 C ATOM 0 HA PRO B 87 3.388 -12.378 12.081 1.00 31.34 H new ATOM 0 HB2 PRO B 87 5.391 -13.885 13.424 1.00 52.02 H new ATOM 0 HB3 PRO B 87 4.211 -12.920 14.288 1.00 52.02 H new ATOM 0 HG2 PRO B 87 4.158 -15.887 13.693 1.00 44.13 H new ATOM 0 HG3 PRO B 87 3.759 -15.063 15.187 1.00 44.13 H new ATOM 0 HD2 PRO B 87 1.777 -15.898 13.583 1.00 31.01 H new ATOM 0 HD3 PRO B 87 1.632 -14.343 14.378 1.00 31.01 H new ATOM 2964 N THR B 88 4.406 -15.124 10.642 1.00 5.34 N ATOM 2965 CA THR B 88 5.214 -15.673 9.544 1.00 51.31 C ATOM 2966 C THR B 88 4.457 -15.665 8.196 1.00 64.41 C ATOM 2967 O THR B 88 5.092 -15.860 7.159 1.00 54.34 O ATOM 2968 CB THR B 88 5.729 -17.111 9.904 1.00 54.43 C ATOM 2969 OG1 THR B 88 4.645 -17.936 10.349 1.00 52.52 O ATOM 2970 CG2 THR B 88 6.805 -17.073 11.007 1.00 61.11 C ATOM 0 H THR B 88 3.808 -15.815 11.095 1.00 5.34 H new ATOM 0 HA THR B 88 6.078 -15.020 9.417 1.00 51.31 H new ATOM 0 HB THR B 88 6.169 -17.527 8.997 1.00 54.43 H new ATOM 0 HG1 THR B 88 3.799 -17.573 10.014 1.00 52.52 H new ATOM 0 HG21 THR B 88 7.136 -18.088 11.228 1.00 61.11 H new ATOM 0 HG22 THR B 88 7.654 -16.481 10.667 1.00 61.11 H new ATOM 0 HG23 THR B 88 6.387 -16.624 11.908 1.00 61.11 H new ATOM 2978 N MET B 89 3.116 -15.410 8.221 1.00 74.42 N ATOM 2979 CA MET B 89 2.269 -15.310 6.998 1.00 14.32 C ATOM 2980 C MET B 89 2.864 -14.306 6.012 1.00 14.50 C ATOM 2981 O MET B 89 3.075 -14.633 4.843 1.00 12.42 O ATOM 2982 CB MET B 89 0.811 -14.906 7.361 1.00 54.45 C ATOM 2983 CG MET B 89 -0.118 -14.606 6.162 1.00 53.44 C ATOM 2984 SD MET B 89 -0.286 -15.998 5.016 1.00 33.22 S ATOM 2985 CE MET B 89 -1.354 -15.307 3.741 1.00 53.02 C ATOM 0 H MET B 89 2.596 -15.269 9.087 1.00 74.42 H new ATOM 0 HA MET B 89 2.245 -16.292 6.526 1.00 14.32 H new ATOM 0 HB2 MET B 89 0.367 -15.709 7.950 1.00 54.45 H new ATOM 0 HB3 MET B 89 0.846 -14.024 8.000 1.00 54.45 H new ATOM 0 HG2 MET B 89 -1.104 -14.332 6.536 1.00 53.44 H new ATOM 0 HG3 MET B 89 0.268 -13.743 5.620 1.00 53.44 H new ATOM 0 HE1 MET B 89 -1.538 -16.059 2.973 1.00 53.02 H new ATOM 0 HE2 MET B 89 -2.302 -15.003 4.186 1.00 53.02 H new ATOM 0 HE3 MET B 89 -0.870 -14.440 3.291 1.00 53.02 H new ATOM 2995 N PHE B 90 3.181 -13.110 6.548 1.00 20.54 N ATOM 2996 CA PHE B 90 3.774 -11.983 5.805 1.00 33.42 C ATOM 2997 C PHE B 90 5.037 -12.419 5.025 1.00 33.31 C ATOM 2998 O PHE B 90 5.206 -12.062 3.856 1.00 43.54 O ATOM 2999 CB PHE B 90 4.095 -10.847 6.811 1.00 61.22 C ATOM 3000 CG PHE B 90 4.701 -9.574 6.207 1.00 10.14 C ATOM 3001 CD1 PHE B 90 6.088 -9.430 6.072 1.00 32.22 C ATOM 3002 CD2 PHE B 90 3.889 -8.511 5.797 1.00 33.21 C ATOM 3003 CE1 PHE B 90 6.637 -8.276 5.552 1.00 74.52 C ATOM 3004 CE2 PHE B 90 4.445 -7.357 5.271 1.00 74.35 C ATOM 3005 CZ PHE B 90 5.816 -7.242 5.153 1.00 63.12 C ATOM 0 H PHE B 90 3.027 -12.897 7.534 1.00 20.54 H new ATOM 0 HA PHE B 90 3.062 -11.623 5.062 1.00 33.42 H new ATOM 0 HB2 PHE B 90 3.176 -10.578 7.332 1.00 61.22 H new ATOM 0 HB3 PHE B 90 4.785 -11.235 7.561 1.00 61.22 H new ATOM 0 HD1 PHE B 90 6.738 -10.236 6.380 1.00 32.22 H new ATOM 0 HD2 PHE B 90 2.816 -8.591 5.892 1.00 33.21 H new ATOM 0 HE1 PHE B 90 7.709 -8.182 5.457 1.00 74.52 H new ATOM 0 HE2 PHE B 90 3.806 -6.546 4.953 1.00 74.35 H new ATOM 0 HZ PHE B 90 6.247 -6.339 4.747 1.00 63.12 H new ATOM 3015 N ASN B 91 5.889 -13.222 5.688 1.00 21.25 N ATOM 3016 CA ASN B 91 7.154 -13.709 5.111 1.00 15.32 C ATOM 3017 C ASN B 91 6.890 -14.756 4.013 1.00 63.55 C ATOM 3018 O ASN B 91 7.559 -14.736 2.983 1.00 42.15 O ATOM 3019 CB ASN B 91 8.056 -14.309 6.223 1.00 72.53 C ATOM 3020 CG ASN B 91 9.452 -14.720 5.720 1.00 73.31 C ATOM 3021 OD1 ASN B 91 9.671 -15.864 5.314 1.00 4.03 O ATOM 3022 ND2 ASN B 91 10.401 -13.788 5.740 1.00 35.35 N ATOM 0 H ASN B 91 5.719 -13.551 6.638 1.00 21.25 H new ATOM 0 HA ASN B 91 7.670 -12.863 4.657 1.00 15.32 H new ATOM 0 HB2 ASN B 91 8.167 -13.579 7.025 1.00 72.53 H new ATOM 0 HB3 ASN B 91 7.561 -15.180 6.652 1.00 72.53 H new ATOM 0 HD21 ASN B 91 11.341 -14.011 5.414 1.00 35.35 H new ATOM 0 HD22 ASN B 91 10.188 -12.851 6.082 1.00 35.35 H new ATOM 3029 N LYS B 92 5.892 -15.643 4.249 1.00 13.02 N ATOM 3030 CA LYS B 92 5.549 -16.765 3.338 1.00 2.53 C ATOM 3031 C LYS B 92 5.272 -16.279 1.902 1.00 52.42 C ATOM 3032 O LYS B 92 5.882 -16.780 0.949 1.00 52.32 O ATOM 3033 CB LYS B 92 4.320 -17.558 3.873 1.00 41.31 C ATOM 3034 CG LYS B 92 4.566 -18.308 5.204 1.00 62.00 C ATOM 3035 CD LYS B 92 3.250 -18.794 5.860 1.00 62.13 C ATOM 3036 CE LYS B 92 3.471 -19.399 7.254 1.00 20.31 C ATOM 3037 NZ LYS B 92 2.189 -19.705 7.938 1.00 11.12 N ATOM 0 H LYS B 92 5.300 -15.601 5.079 1.00 13.02 H new ATOM 0 HA LYS B 92 6.416 -17.425 3.309 1.00 2.53 H new ATOM 0 HB2 LYS B 92 3.489 -16.866 4.010 1.00 41.31 H new ATOM 0 HB3 LYS B 92 4.013 -18.280 3.116 1.00 41.31 H new ATOM 0 HG2 LYS B 92 5.215 -19.164 5.021 1.00 62.00 H new ATOM 0 HG3 LYS B 92 5.093 -17.651 5.896 1.00 62.00 H new ATOM 0 HD2 LYS B 92 2.557 -17.957 5.938 1.00 62.13 H new ATOM 0 HD3 LYS B 92 2.781 -19.538 5.216 1.00 62.13 H new ATOM 0 HE2 LYS B 92 4.060 -20.311 7.164 1.00 20.31 H new ATOM 0 HE3 LYS B 92 4.050 -18.705 7.863 1.00 20.31 H new ATOM 0 HZ1 LYS B 92 2.272 -20.611 8.442 1.00 11.12 H new ATOM 0 HZ2 LYS B 92 1.969 -18.949 8.618 1.00 11.12 H new ATOM 0 HZ3 LYS B 92 1.426 -19.769 7.234 1.00 11.12 H new ATOM 3051 N ILE B 93 4.369 -15.290 1.750 1.00 20.41 N ATOM 3052 CA ILE B 93 3.992 -14.790 0.413 1.00 72.01 C ATOM 3053 C ILE B 93 5.043 -13.809 -0.139 1.00 60.35 C ATOM 3054 O ILE B 93 5.211 -13.709 -1.352 1.00 14.22 O ATOM 3055 CB ILE B 93 2.547 -14.152 0.358 1.00 2.53 C ATOM 3056 CG1 ILE B 93 2.451 -12.769 1.097 1.00 21.43 C ATOM 3057 CG2 ILE B 93 1.488 -15.150 0.902 1.00 14.51 C ATOM 3058 CD1 ILE B 93 2.242 -12.810 2.595 1.00 72.24 C ATOM 0 H ILE B 93 3.893 -14.827 2.524 1.00 20.41 H new ATOM 0 HA ILE B 93 3.962 -15.670 -0.229 1.00 72.01 H new ATOM 0 HB ILE B 93 2.337 -13.949 -0.692 1.00 2.53 H new ATOM 0 HG12 ILE B 93 3.366 -12.212 0.897 1.00 21.43 H new ATOM 0 HG13 ILE B 93 1.631 -12.203 0.655 1.00 21.43 H new ATOM 0 HG21 ILE B 93 0.500 -14.693 0.856 1.00 14.51 H new ATOM 0 HG22 ILE B 93 1.497 -16.056 0.296 1.00 14.51 H new ATOM 0 HG23 ILE B 93 1.723 -15.402 1.936 1.00 14.51 H new ATOM 0 HD11 ILE B 93 2.193 -11.793 2.984 1.00 72.24 H new ATOM 0 HD12 ILE B 93 1.310 -13.329 2.818 1.00 72.24 H new ATOM 0 HD13 ILE B 93 3.072 -13.338 3.064 1.00 72.24 H new ATOM 3070 N ALA B 94 5.752 -13.096 0.764 1.00 64.44 N ATOM 3071 CA ALA B 94 6.821 -12.147 0.375 1.00 52.12 C ATOM 3072 C ALA B 94 7.987 -12.872 -0.328 1.00 23.34 C ATOM 3073 O ALA B 94 8.507 -12.392 -1.343 1.00 40.33 O ATOM 3074 CB ALA B 94 7.323 -11.367 1.597 1.00 52.13 C ATOM 0 H ALA B 94 5.603 -13.160 1.771 1.00 64.44 H new ATOM 0 HA ALA B 94 6.395 -11.438 -0.335 1.00 52.12 H new ATOM 0 HB1 ALA B 94 8.108 -10.676 1.290 1.00 52.13 H new ATOM 0 HB2 ALA B 94 6.497 -10.807 2.036 1.00 52.13 H new ATOM 0 HB3 ALA B 94 7.721 -12.064 2.335 1.00 52.13 H new ATOM 3080 N VAL B 95 8.372 -14.042 0.219 1.00 43.10 N ATOM 3081 CA VAL B 95 9.453 -14.879 -0.340 1.00 52.11 C ATOM 3082 C VAL B 95 8.932 -15.724 -1.529 1.00 52.31 C ATOM 3083 O VAL B 95 9.712 -16.152 -2.389 1.00 43.20 O ATOM 3084 CB VAL B 95 10.101 -15.801 0.765 1.00 30.42 C ATOM 3085 CG1 VAL B 95 9.127 -16.898 1.258 1.00 43.33 C ATOM 3086 CG2 VAL B 95 11.443 -16.408 0.282 1.00 4.12 C ATOM 0 H VAL B 95 7.944 -14.433 1.058 1.00 43.10 H new ATOM 0 HA VAL B 95 10.232 -14.212 -0.708 1.00 52.11 H new ATOM 0 HB VAL B 95 10.316 -15.163 1.622 1.00 30.42 H new ATOM 0 HG11 VAL B 95 9.618 -17.506 2.017 1.00 43.33 H new ATOM 0 HG12 VAL B 95 8.240 -16.431 1.685 1.00 43.33 H new ATOM 0 HG13 VAL B 95 8.836 -17.530 0.419 1.00 43.33 H new ATOM 0 HG21 VAL B 95 11.861 -17.037 1.068 1.00 4.12 H new ATOM 0 HG22 VAL B 95 11.270 -17.009 -0.611 1.00 4.12 H new ATOM 0 HG23 VAL B 95 12.143 -15.605 0.049 1.00 4.12 H new ATOM 3096 N PHE B 96 7.603 -15.966 -1.563 1.00 22.30 N ATOM 3097 CA PHE B 96 6.950 -16.652 -2.690 1.00 4.33 C ATOM 3098 C PHE B 96 6.795 -15.686 -3.885 1.00 41.31 C ATOM 3099 O PHE B 96 6.701 -16.133 -5.031 1.00 31.43 O ATOM 3100 CB PHE B 96 5.579 -17.237 -2.262 1.00 5.32 C ATOM 3101 CG PHE B 96 4.964 -18.213 -3.277 1.00 71.34 C ATOM 3102 CD1 PHE B 96 5.623 -19.398 -3.619 1.00 31.33 C ATOM 3103 CD2 PHE B 96 3.737 -17.956 -3.881 1.00 22.22 C ATOM 3104 CE1 PHE B 96 5.075 -20.278 -4.537 1.00 24.10 C ATOM 3105 CE2 PHE B 96 3.190 -18.834 -4.801 1.00 14.55 C ATOM 3106 CZ PHE B 96 3.855 -20.000 -5.122 1.00 10.33 C ATOM 0 H PHE B 96 6.963 -15.693 -0.817 1.00 22.30 H new ATOM 0 HA PHE B 96 7.580 -17.485 -3.002 1.00 4.33 H new ATOM 0 HB2 PHE B 96 5.698 -17.750 -1.308 1.00 5.32 H new ATOM 0 HB3 PHE B 96 4.882 -16.415 -2.097 1.00 5.32 H new ATOM 0 HD1 PHE B 96 6.573 -19.630 -3.161 1.00 31.33 H new ATOM 0 HD2 PHE B 96 3.201 -17.054 -3.627 1.00 22.22 H new ATOM 0 HE1 PHE B 96 5.603 -21.184 -4.796 1.00 24.10 H new ATOM 0 HE2 PHE B 96 2.243 -18.607 -5.268 1.00 14.55 H new ATOM 0 HZ PHE B 96 3.423 -20.693 -5.829 1.00 10.33 H new ATOM 3116 N PHE B 97 6.786 -14.359 -3.578 1.00 62.03 N ATOM 3117 CA PHE B 97 6.704 -13.223 -4.548 1.00 54.02 C ATOM 3118 C PHE B 97 5.622 -13.406 -5.646 1.00 33.11 C ATOM 3119 O PHE B 97 5.733 -12.851 -6.754 1.00 3.32 O ATOM 3120 CB PHE B 97 8.113 -12.854 -5.144 1.00 4.23 C ATOM 3121 CG PHE B 97 8.890 -13.990 -5.830 1.00 51.31 C ATOM 3122 CD1 PHE B 97 8.493 -14.493 -7.075 1.00 22.44 C ATOM 3123 CD2 PHE B 97 10.014 -14.561 -5.225 1.00 24.10 C ATOM 3124 CE1 PHE B 97 9.187 -15.519 -7.682 1.00 74.21 C ATOM 3125 CE2 PHE B 97 10.706 -15.590 -5.839 1.00 31.10 C ATOM 3126 CZ PHE B 97 10.290 -16.068 -7.067 1.00 22.12 C ATOM 0 H PHE B 97 6.838 -14.036 -2.612 1.00 62.03 H new ATOM 0 HA PHE B 97 6.367 -12.366 -3.965 1.00 54.02 H new ATOM 0 HB2 PHE B 97 7.977 -12.050 -5.867 1.00 4.23 H new ATOM 0 HB3 PHE B 97 8.730 -12.457 -4.338 1.00 4.23 H new ATOM 0 HD1 PHE B 97 7.630 -14.071 -7.568 1.00 22.44 H new ATOM 0 HD2 PHE B 97 10.347 -14.194 -4.265 1.00 24.10 H new ATOM 0 HE1 PHE B 97 8.864 -15.893 -8.642 1.00 74.21 H new ATOM 0 HE2 PHE B 97 11.572 -16.020 -5.358 1.00 31.10 H new ATOM 0 HZ PHE B 97 10.830 -16.872 -7.544 1.00 22.12 H new ATOM 3136 N GLN B 98 4.547 -14.133 -5.304 1.00 74.22 N ATOM 3137 CA GLN B 98 3.467 -14.457 -6.247 1.00 74.21 C ATOM 3138 C GLN B 98 2.141 -14.710 -5.494 1.00 14.21 C ATOM 3139 O GLN B 98 1.083 -14.329 -6.006 1.00 21.15 O ATOM 3140 CB GLN B 98 3.868 -15.680 -7.123 1.00 30.05 C ATOM 3141 CG GLN B 98 3.035 -15.847 -8.418 1.00 23.50 C ATOM 3142 CD GLN B 98 2.984 -14.595 -9.316 1.00 22.24 C ATOM 3143 OE1 GLN B 98 2.020 -14.388 -10.056 1.00 31.12 O ATOM 3144 NE2 GLN B 98 4.009 -13.737 -9.265 1.00 35.23 N ATOM 3145 OXT GLN B 98 2.172 -15.254 -4.376 1.00 37.85 O ATOM 0 H GLN B 98 4.403 -14.512 -4.368 1.00 74.22 H new ATOM 0 HA GLN B 98 3.310 -13.605 -6.909 1.00 74.21 H new ATOM 0 HB2 GLN B 98 4.920 -15.587 -7.393 1.00 30.05 H new ATOM 0 HB3 GLN B 98 3.771 -16.586 -6.525 1.00 30.05 H new ATOM 0 HG2 GLN B 98 3.447 -16.675 -8.995 1.00 23.50 H new ATOM 0 HG3 GLN B 98 2.017 -16.124 -8.146 1.00 23.50 H new ATOM 0 HE21 GLN B 98 4.799 -13.923 -8.647 1.00 35.23 H new ATOM 0 HE22 GLN B 98 4.000 -12.897 -9.844 1.00 35.23 H new TER 3154 GLN B 98