USER MOD reduce.3.24.130724 H: found=0, std=0, add=1287, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1287 hydrogens (33 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 NoAdj-H: A1001 OLA HO2 : A1001 OLA O2 : A1001 OLA C1 :(short bond) USER MOD Set 1.1: A 128 LYS NZ :NH3+ 170:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 137 SER OG : rot 171:sc= 1.1 USER MOD Set 2.1: A 58 MET CE :methyl 166:sc= 0 (180deg=-0.0153) USER MOD Set 2.2: A 118 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 104 HIS : no HD1:sc= -1.91 K(o=-0.64,f=-1.5) USER MOD Set 3.2: A 116 TYR OH : rot 33:sc= 1.28 USER MOD Set 4.1: A 103 THR OG1 : rot -72:sc= 0.0027 USER MOD Set 4.2: A 115 THR OG1 : rot 180:sc= -0.0155 USER MOD Set 5.1: A 98 ASN : amide:sc= 0 X(o=-0.11,f=-0.14) USER MOD Set 5.2: A 99 THR OG1 : rot 180:sc= -0.11 USER MOD Set 6.1: A 86 THR OG1 : rot -72:sc= -0.888! USER MOD Set 6.2: A 88 HIS : no HD1:sc= -6.77! C(o=-7.7!,f=-8.3!) USER MOD Set 7.1: A 65 LYS NZ :NH3+ -176:sc= 1.72 (180deg=0.518) USER MOD Set 7.2: A 85 SER OG : rot 180:sc= 0.978 USER MOD Set 8.1: A 47 ASN : amide:sc= -0.0288 K(o=-1,f=-4.6!) USER MOD Set 8.2: A 56 TYR OH : rot -80:sc= -0.997 USER MOD Set 9.1: A 43 LYS NZ :NH3+ 158:sc= -1.26! (180deg=-3.53!) USER MOD Set 9.2: A 60 ASN : amide:sc= 1.21 K(o=1,f=-12!) USER MOD Set 9.3: A 140 TYR OH : rot -142:sc= 1.06 USER MOD Set10.1: A 22 TYR OH : rot 180:sc= -0.118 USER MOD Set10.2: A 129 MET CE :methyl -134:sc= -0.661 (180deg=-7.28!) USER MOD Set11.1: A -7 HIS : no HD1:sc= -0.0373 X(o=-0.014,f=0.11) USER MOD Set11.2: A -8 SER OG : rot 180:sc= 0.0232 USER MOD Single : A 0 SER OG : rot -4:sc= 0.101 USER MOD Single : A 1 LYS NZ :NH3+ 146:sc= -0.569 (180deg=-2.09!) USER MOD Single : A 2 THR OG1 : rot -74:sc= 0.962 USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= -0.0227 (180deg=-0.175) USER MOD Single : A -2 HIS : no HE2:sc= -0.355 K(o=-0.36,f=-1.1) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A -4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -5 HIS : no HE2:sc= 0.947 K(o=0.95,f=-4.3!) USER MOD Single : A -6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0859) USER MOD Single : A 18 ASN : amide:sc= 0.713 K(o=0.71,f=-1.7!) USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= 0.427 (180deg=0.068) USER MOD Single : A 28 TYR OH : rot 5:sc= -1.64! USER MOD Single : A 32 MET CE :methyl -173:sc= -3.09! (180deg=-3.26!) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0765 F(o=-1.2,f=-0.076) USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.08) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -139:sc= 1.27 USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= 1.23 (180deg=1.2) USER MOD Single : A 62 THR OG1 : rot 140:sc= 0.455 USER MOD Single : A 63 THR OG1 : rot 150:sc= -1.3 USER MOD Single : A 64 LYS NZ :NH3+ 168:sc=-0.00872 (180deg=-0.144) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 68 HIS : no HD1:sc= -0.415 X(o=-0.42,f=-0.33) USER MOD Single : A 69 HIS : +bothHN:sc= 1.4 K(o=1.4,f=-9.4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.0068) USER MOD Single : A 89 LYS NZ :NH3+ 170:sc= 0.0874 (180deg=-0.327) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 167:sc= 1.14 (180deg=0.787) USER MOD Single : A -11 MET CE :methyl -156:sc= -0.157 (180deg=-0.868) USER MOD Single : A -11 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -52:sc= 0.191 USER MOD Single : A 106 LYS NZ :NH3+ 146:sc= 1.2 (180deg=1.1) USER MOD Single : A 111 THR OG1 : rot 8:sc= 1.21 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 MET CE :methyl -159:sc= -0.847 (180deg=-1.99) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc= 0.0368 USER MOD Single : A 136 THR OG1 : rot 60:sc= 1.23 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -169:sc=-0.00505 (180deg=-0.138) USER MOD Single : A 143 GLN :FLIP amide:sc= -1.21 F(o=-4.6!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -11 3.442 -10.306 -15.495 1.00 13.25 N ATOM 2 CA MET A -11 3.417 -11.536 -14.676 1.00 13.08 C ATOM 3 C MET A -11 2.184 -12.360 -15.033 1.00 12.76 C ATOM 4 O MET A -11 1.058 -11.866 -14.954 1.00 12.82 O ATOM 5 CB MET A -11 3.410 -11.166 -13.185 1.00 13.51 C ATOM 6 CG MET A -11 3.627 -12.339 -12.234 1.00 13.65 C ATOM 7 SD MET A -11 2.197 -13.434 -12.093 1.00 14.00 S ATOM 8 CE MET A -11 0.972 -12.317 -11.411 1.00 14.47 C ATOM 0 H1 MET A -11 4.283 -9.744 -15.252 1.00 13.25 H new ATOM 0 H2 MET A -11 3.475 -10.561 -16.503 1.00 13.25 H new ATOM 0 H3 MET A -11 2.586 -9.747 -15.308 1.00 13.25 H new ATOM 0 HA MET A -11 4.307 -12.132 -14.880 1.00 13.08 H new ATOM 0 HB2 MET A -11 4.187 -10.423 -13.006 1.00 13.51 H new ATOM 0 HB3 MET A -11 2.457 -10.695 -12.946 1.00 13.51 H new ATOM 0 HG2 MET A -11 4.485 -12.918 -12.576 1.00 13.65 H new ATOM 0 HG3 MET A -11 3.876 -11.953 -11.246 1.00 13.65 H new ATOM 0 HE1 MET A -11 0.211 -12.891 -10.882 1.00 14.47 H new ATOM 0 HE2 MET A -11 1.454 -11.627 -10.718 1.00 14.47 H new ATOM 0 HE3 MET A -11 0.505 -11.753 -12.218 1.00 14.47 H new ATOM 20 N ARG A -10 2.397 -13.603 -15.450 1.00 12.64 N ATOM 21 CA ARG A -10 1.301 -14.491 -15.807 1.00 12.57 C ATOM 22 C ARG A -10 1.773 -15.941 -15.830 1.00 12.08 C ATOM 23 O ARG A -10 2.517 -16.350 -16.725 1.00 12.07 O ATOM 24 CB ARG A -10 0.729 -14.106 -17.174 1.00 13.16 C ATOM 25 CG ARG A -10 -0.533 -14.864 -17.552 1.00 13.66 C ATOM 26 CD ARG A -10 -1.068 -14.391 -18.891 1.00 14.28 C ATOM 27 NE ARG A -10 -2.334 -15.030 -19.241 1.00 14.70 N ATOM 28 CZ ARG A -10 -3.192 -14.530 -20.130 1.00 15.36 C ATOM 29 NH1 ARG A -10 -2.923 -13.382 -20.741 1.00 15.68 N ATOM 30 NH2 ARG A -10 -4.314 -15.176 -20.407 1.00 15.82 N ATOM 0 H ARG A -10 3.323 -14.018 -15.549 1.00 12.64 H new ATOM 0 HA ARG A -10 0.519 -14.390 -15.055 1.00 12.57 H new ATOM 0 HB2 ARG A -10 0.514 -13.037 -17.178 1.00 13.16 H new ATOM 0 HB3 ARG A -10 1.488 -14.281 -17.936 1.00 13.16 H new ATOM 0 HG2 ARG A -10 -0.321 -15.932 -17.597 1.00 13.66 H new ATOM 0 HG3 ARG A -10 -1.292 -14.722 -16.782 1.00 13.66 H new ATOM 0 HD2 ARG A -10 -1.205 -13.310 -18.863 1.00 14.28 H new ATOM 0 HD3 ARG A -10 -0.332 -14.599 -19.668 1.00 14.28 H new ATOM 0 HE ARG A -10 -2.575 -15.907 -18.780 1.00 14.70 H new ATOM 0 HH11 ARG A -10 -2.059 -12.882 -20.530 1.00 15.68 H new ATOM 0 HH12 ARG A -10 -3.580 -13.000 -21.421 1.00 15.68 H new ATOM 0 HH21 ARG A -10 -4.523 -16.058 -19.940 1.00 15.82 H new ATOM 0 HH22 ARG A -10 -4.969 -14.791 -21.088 1.00 15.82 H new ATOM 44 N GLY A -9 1.350 -16.707 -14.839 1.00 11.88 N ATOM 45 CA GLY A -9 1.711 -18.108 -14.778 1.00 11.61 C ATOM 46 C GLY A -9 0.503 -18.991 -14.553 1.00 11.09 C ATOM 47 O GLY A -9 0.481 -19.804 -13.628 1.00 10.90 O ATOM 0 H GLY A -9 0.761 -16.383 -14.072 1.00 11.88 H new ATOM 0 HA2 GLY A -9 2.204 -18.397 -15.706 1.00 11.61 H new ATOM 0 HA3 GLY A -9 2.430 -18.263 -13.973 1.00 11.61 H new ATOM 51 N SER A -8 -0.500 -18.835 -15.404 1.00 11.06 N ATOM 52 CA SER A -8 -1.748 -19.570 -15.267 1.00 10.81 C ATOM 53 C SER A -8 -1.557 -21.049 -15.594 1.00 10.32 C ATOM 54 O SER A -8 -2.138 -21.921 -14.946 1.00 10.27 O ATOM 55 CB SER A -8 -2.811 -18.948 -16.175 1.00 11.27 C ATOM 56 OG SER A -8 -2.296 -18.719 -17.478 1.00 11.68 O ATOM 0 H SER A -8 -0.473 -18.201 -16.202 1.00 11.06 H new ATOM 0 HA SER A -8 -2.079 -19.504 -14.231 1.00 10.81 H new ATOM 0 HB2 SER A -8 -3.676 -19.608 -16.233 1.00 11.27 H new ATOM 0 HB3 SER A -8 -3.156 -18.007 -15.746 1.00 11.27 H new ATOM 0 HG SER A -8 -2.994 -18.323 -18.041 1.00 11.68 H new ATOM 62 N HIS A -7 -0.722 -21.323 -16.585 1.00 10.19 N ATOM 63 CA HIS A -7 -0.470 -22.690 -17.014 1.00 9.96 C ATOM 64 C HIS A -7 0.433 -23.409 -16.016 1.00 9.39 C ATOM 65 O HIS A -7 1.616 -23.086 -15.899 1.00 9.36 O ATOM 66 CB HIS A -7 0.165 -22.713 -18.409 1.00 10.47 C ATOM 67 CG HIS A -7 -0.753 -22.256 -19.504 1.00 10.82 C ATOM 68 ND1 HIS A -7 -1.107 -23.050 -20.575 1.00 11.40 N ATOM 69 CD2 HIS A -7 -1.381 -21.075 -19.698 1.00 10.91 C ATOM 70 CE1 HIS A -7 -1.909 -22.375 -21.374 1.00 11.79 C ATOM 71 NE2 HIS A -7 -2.092 -21.175 -20.866 1.00 11.52 N ATOM 0 H HIS A -7 -0.207 -20.615 -17.108 1.00 10.19 H new ATOM 0 HA HIS A -7 -1.426 -23.211 -17.059 1.00 9.96 H new ATOM 0 HB2 HIS A -7 1.052 -22.079 -18.404 1.00 10.47 H new ATOM 0 HB3 HIS A -7 0.499 -23.727 -18.628 1.00 10.47 H new ATOM 0 HD2 HIS A -7 -1.332 -20.211 -19.052 1.00 10.91 H new ATOM 0 HE1 HIS A -7 -2.343 -22.745 -22.291 1.00 11.79 H new ATOM 0 HE2 HIS A -7 -2.669 -20.439 -21.274 1.00 11.52 H new ATOM 80 N HIS A -6 -0.143 -24.376 -15.301 1.00 9.18 N ATOM 81 CA HIS A -6 0.582 -25.169 -14.304 1.00 8.88 C ATOM 82 C HIS A -6 1.044 -24.300 -13.141 1.00 8.15 C ATOM 83 O HIS A -6 2.225 -23.971 -13.022 1.00 8.11 O ATOM 84 CB HIS A -6 1.783 -25.894 -14.926 1.00 9.21 C ATOM 85 CG HIS A -6 1.417 -26.822 -16.042 1.00 9.81 C ATOM 86 ND1 HIS A -6 2.051 -26.810 -17.265 1.00 10.31 N ATOM 87 CD2 HIS A -6 0.488 -27.803 -16.110 1.00 10.25 C ATOM 88 CE1 HIS A -6 1.525 -27.742 -18.036 1.00 10.98 C ATOM 89 NE2 HIS A -6 0.575 -28.359 -17.361 1.00 10.96 N ATOM 0 H HIS A -6 -1.126 -24.633 -15.396 1.00 9.18 H new ATOM 0 HA HIS A -6 -0.112 -25.919 -13.926 1.00 8.88 H new ATOM 0 HB2 HIS A -6 2.489 -25.153 -15.299 1.00 9.21 H new ATOM 0 HB3 HIS A -6 2.296 -26.460 -14.149 1.00 9.21 H new ATOM 0 HD2 HIS A -6 -0.195 -28.094 -15.326 1.00 10.25 H new ATOM 0 HE1 HIS A -6 1.823 -27.963 -19.050 1.00 10.98 H new ATOM 0 HE2 HIS A -6 -0.001 -29.124 -17.712 1.00 10.96 H new ATOM 98 N HIS A -5 0.109 -23.933 -12.281 1.00 7.83 N ATOM 99 CA HIS A -5 0.429 -23.117 -11.120 1.00 7.37 C ATOM 100 C HIS A -5 0.229 -23.911 -9.831 1.00 7.17 C ATOM 101 O HIS A -5 -0.432 -23.457 -8.900 1.00 7.21 O ATOM 102 CB HIS A -5 -0.387 -21.808 -11.111 1.00 7.73 C ATOM 103 CG HIS A -5 -1.881 -21.979 -11.121 1.00 8.16 C ATOM 104 ND1 HIS A -5 -2.623 -22.058 -12.281 1.00 8.81 N ATOM 105 CD2 HIS A -5 -2.773 -22.061 -10.105 1.00 8.33 C ATOM 106 CE1 HIS A -5 -3.900 -22.179 -11.977 1.00 9.31 C ATOM 107 NE2 HIS A -5 -4.019 -22.185 -10.664 1.00 9.05 N ATOM 0 H HIS A -5 -0.876 -24.186 -12.364 1.00 7.83 H new ATOM 0 HA HIS A -5 1.481 -22.839 -11.182 1.00 7.37 H new ATOM 0 HB2 HIS A -5 -0.110 -21.233 -10.227 1.00 7.73 H new ATOM 0 HB3 HIS A -5 -0.100 -21.215 -11.980 1.00 7.73 H new ATOM 0 HD1 HIS A -5 -2.243 -22.028 -13.227 1.00 8.81 H new ATOM 0 HD2 HIS A -5 -2.545 -22.034 -9.050 1.00 8.33 H new ATOM 0 HE1 HIS A -5 -4.712 -22.260 -12.684 1.00 9.31 H new ATOM 116 N HIS A -4 0.806 -25.104 -9.782 1.00 7.32 N ATOM 117 CA HIS A -4 0.709 -25.946 -8.591 1.00 7.52 C ATOM 118 C HIS A -4 1.779 -25.554 -7.581 1.00 6.89 C ATOM 119 O HIS A -4 1.566 -25.644 -6.371 1.00 6.96 O ATOM 120 CB HIS A -4 0.836 -27.432 -8.943 1.00 8.42 C ATOM 121 CG HIS A -4 -0.332 -27.976 -9.710 1.00 9.12 C ATOM 122 ND1 HIS A -4 -1.460 -28.482 -9.102 1.00 9.86 N ATOM 123 CD2 HIS A -4 -0.543 -28.091 -11.042 1.00 9.44 C ATOM 124 CE1 HIS A -4 -2.311 -28.886 -10.025 1.00 10.54 C ATOM 125 NE2 HIS A -4 -1.782 -28.658 -11.210 1.00 10.32 N ATOM 0 H HIS A -4 1.344 -25.511 -10.547 1.00 7.32 H new ATOM 0 HA HIS A -4 -0.276 -25.789 -8.151 1.00 7.52 H new ATOM 0 HB2 HIS A -4 1.744 -27.581 -9.528 1.00 8.42 H new ATOM 0 HB3 HIS A -4 0.953 -28.005 -8.023 1.00 8.42 H new ATOM 0 HD2 HIS A -4 0.137 -27.792 -11.826 1.00 9.44 H new ATOM 0 HE1 HIS A -4 -3.279 -29.329 -9.841 1.00 10.54 H new ATOM 0 HE2 HIS A -4 -2.221 -28.868 -12.106 1.00 10.32 H new ATOM 134 N HIS A -3 2.927 -25.115 -8.082 1.00 6.56 N ATOM 135 CA HIS A -3 3.982 -24.602 -7.216 1.00 6.26 C ATOM 136 C HIS A -3 3.567 -23.241 -6.683 1.00 5.53 C ATOM 137 O HIS A -3 3.667 -22.962 -5.489 1.00 5.80 O ATOM 138 CB HIS A -3 5.314 -24.478 -7.966 1.00 7.01 C ATOM 139 CG HIS A -3 5.838 -25.770 -8.508 1.00 7.57 C ATOM 140 ND1 HIS A -3 5.833 -26.079 -9.851 1.00 8.09 N ATOM 141 CD2 HIS A -3 6.396 -26.832 -7.883 1.00 8.00 C ATOM 142 CE1 HIS A -3 6.363 -27.274 -10.027 1.00 8.73 C ATOM 143 NE2 HIS A -3 6.714 -27.750 -8.849 1.00 8.69 N ATOM 0 H HIS A -3 3.151 -25.104 -9.077 1.00 6.56 H new ATOM 0 HA HIS A -3 4.126 -25.303 -6.394 1.00 6.26 H new ATOM 0 HB2 HIS A -3 5.189 -23.776 -8.790 1.00 7.01 H new ATOM 0 HB3 HIS A -3 6.058 -24.051 -7.293 1.00 7.01 H new ATOM 0 HD2 HIS A -3 6.560 -26.937 -6.821 1.00 8.00 H new ATOM 0 HE1 HIS A -3 6.488 -27.777 -10.975 1.00 8.73 H new ATOM 0 HE2 HIS A -3 7.152 -28.656 -8.683 1.00 8.69 H new ATOM 152 N HIS A -2 3.082 -22.401 -7.586 1.00 4.92 N ATOM 153 CA HIS A -2 2.573 -21.094 -7.213 1.00 4.50 C ATOM 154 C HIS A -2 1.050 -21.151 -7.102 1.00 3.71 C ATOM 155 O HIS A -2 0.335 -20.397 -7.759 1.00 3.80 O ATOM 156 CB HIS A -2 3.002 -20.033 -8.236 1.00 4.97 C ATOM 157 CG HIS A -2 2.727 -18.621 -7.798 1.00 5.64 C ATOM 158 ND1 HIS A -2 1.574 -17.940 -8.122 1.00 6.23 N ATOM 159 CD2 HIS A -2 3.465 -17.766 -7.049 1.00 6.23 C ATOM 160 CE1 HIS A -2 1.615 -16.733 -7.594 1.00 7.04 C ATOM 161 NE2 HIS A -2 2.751 -16.602 -6.937 1.00 7.06 N ATOM 0 H HIS A -2 3.031 -22.604 -8.584 1.00 4.92 H new ATOM 0 HA HIS A -2 2.990 -20.814 -6.246 1.00 4.50 H new ATOM 0 HB2 HIS A -2 4.069 -20.141 -8.432 1.00 4.97 H new ATOM 0 HB3 HIS A -2 2.484 -20.219 -9.177 1.00 4.97 H new ATOM 0 HD1 HIS A -2 0.808 -18.312 -8.683 1.00 6.23 H new ATOM 0 HD2 HIS A -2 4.436 -17.965 -6.620 1.00 6.23 H new ATOM 0 HE1 HIS A -2 0.848 -15.978 -7.684 1.00 7.04 H new ATOM 170 N GLY A -1 0.562 -22.077 -6.291 1.00 3.50 N ATOM 171 CA GLY A -1 -0.865 -22.170 -6.058 1.00 3.30 C ATOM 172 C GLY A -1 -1.352 -21.033 -5.191 1.00 2.92 C ATOM 173 O GLY A -1 -2.191 -20.232 -5.604 1.00 3.15 O ATOM 0 H GLY A -1 1.126 -22.764 -5.791 1.00 3.50 H new ATOM 0 HA2 GLY A -1 -1.393 -22.156 -7.011 1.00 3.30 H new ATOM 0 HA3 GLY A -1 -1.097 -23.121 -5.579 1.00 3.30 H new ATOM 177 N SER A 0 -0.818 -20.966 -3.985 1.00 2.55 N ATOM 178 CA SER A 0 -1.090 -19.864 -3.082 1.00 2.25 C ATOM 179 C SER A 0 0.089 -19.659 -2.145 1.00 1.76 C ATOM 180 O SER A 0 0.410 -20.533 -1.340 1.00 1.80 O ATOM 181 CB SER A 0 -2.352 -20.128 -2.265 1.00 2.52 C ATOM 182 OG SER A 0 -3.478 -20.321 -3.109 1.00 3.11 O ATOM 0 H SER A 0 -0.186 -21.671 -3.606 1.00 2.55 H new ATOM 0 HA SER A 0 -1.244 -18.965 -3.678 1.00 2.25 H new ATOM 0 HB2 SER A 0 -2.207 -21.010 -1.641 1.00 2.52 H new ATOM 0 HB3 SER A 0 -2.536 -19.289 -1.594 1.00 2.52 H new ATOM 0 HG SER A 0 -3.217 -20.172 -4.042 1.00 3.11 H new ATOM 188 N LYS A 1 0.756 -18.530 -2.284 1.00 1.47 N ATOM 189 CA LYS A 1 1.823 -18.182 -1.365 1.00 1.17 C ATOM 190 C LYS A 1 1.242 -17.449 -0.166 1.00 1.02 C ATOM 191 O LYS A 1 0.375 -16.591 -0.312 1.00 1.17 O ATOM 192 CB LYS A 1 2.888 -17.327 -2.057 1.00 1.31 C ATOM 193 CG LYS A 1 3.519 -17.995 -3.273 1.00 1.65 C ATOM 194 CD LYS A 1 4.233 -19.300 -2.924 1.00 2.03 C ATOM 195 CE LYS A 1 5.652 -19.077 -2.401 1.00 2.38 C ATOM 196 NZ LYS A 1 5.691 -18.486 -1.036 1.00 2.99 N ATOM 0 H LYS A 1 0.581 -17.843 -3.017 1.00 1.47 H new ATOM 0 HA LYS A 1 2.306 -19.098 -1.025 1.00 1.17 H new ATOM 0 HB2 LYS A 1 2.439 -16.383 -2.365 1.00 1.31 H new ATOM 0 HB3 LYS A 1 3.672 -17.088 -1.338 1.00 1.31 H new ATOM 0 HG2 LYS A 1 2.746 -18.196 -4.014 1.00 1.65 H new ATOM 0 HG3 LYS A 1 4.230 -17.308 -3.732 1.00 1.65 H new ATOM 0 HD2 LYS A 1 3.654 -19.836 -2.172 1.00 2.03 H new ATOM 0 HD3 LYS A 1 4.272 -19.935 -3.809 1.00 2.03 H new ATOM 0 HE2 LYS A 1 6.182 -20.029 -2.392 1.00 2.38 H new ATOM 0 HE3 LYS A 1 6.186 -18.421 -3.089 1.00 2.38 H new ATOM 0 HZ1 LYS A 1 6.511 -18.861 -0.519 1.00 2.99 H new ATOM 0 HZ2 LYS A 1 5.771 -17.452 -1.108 1.00 2.99 H new ATOM 0 HZ3 LYS A 1 4.818 -18.732 -0.526 1.00 2.99 H new ATOM 210 N THR A 2 1.694 -17.807 1.013 1.00 0.86 N ATOM 211 CA THR A 2 1.190 -17.202 2.224 1.00 0.81 C ATOM 212 C THR A 2 2.072 -16.025 2.632 1.00 0.66 C ATOM 213 O THR A 2 3.299 -16.153 2.704 1.00 0.64 O ATOM 214 CB THR A 2 1.136 -18.239 3.356 1.00 0.86 C ATOM 215 OG1 THR A 2 0.982 -19.553 2.792 1.00 0.99 O ATOM 216 CG2 THR A 2 -0.031 -17.959 4.285 1.00 0.92 C ATOM 0 H THR A 2 2.412 -18.516 1.160 1.00 0.86 H new ATOM 0 HA THR A 2 0.180 -16.837 2.036 1.00 0.81 H new ATOM 0 HB THR A 2 2.063 -18.179 3.926 1.00 0.86 H new ATOM 0 HG1 THR A 2 0.065 -19.663 2.464 1.00 0.99 H new ATOM 0 HG21 THR A 2 -0.051 -18.705 5.079 1.00 0.92 H new ATOM 0 HG22 THR A 2 0.082 -16.967 4.722 1.00 0.92 H new ATOM 0 HG23 THR A 2 -0.963 -18.004 3.722 1.00 0.92 H new ATOM 224 N LEU A 3 1.437 -14.876 2.853 1.00 0.59 N ATOM 225 CA LEU A 3 2.136 -13.646 3.232 1.00 0.50 C ATOM 226 C LEU A 3 3.063 -13.867 4.418 1.00 0.49 C ATOM 227 O LEU A 3 2.648 -14.391 5.451 1.00 0.53 O ATOM 228 CB LEU A 3 1.143 -12.545 3.597 1.00 0.49 C ATOM 229 CG LEU A 3 0.944 -11.445 2.554 1.00 0.35 C ATOM 230 CD1 LEU A 3 0.011 -10.387 3.098 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.271 -10.812 2.177 1.00 0.49 C ATOM 0 H LEU A 3 0.426 -14.769 2.775 1.00 0.59 H new ATOM 0 HA LEU A 3 2.726 -13.345 2.366 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.176 -13.007 3.796 1.00 0.49 H new ATOM 0 HB3 LEU A 3 1.472 -12.081 4.527 1.00 0.49 H new ATOM 0 HG LEU A 3 0.508 -11.892 1.661 1.00 0.35 H new ATOM 0 HD11 LEU A 3 -0.128 -9.605 2.351 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -0.953 -10.838 3.334 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.440 -9.954 4.002 1.00 0.51 H new ATOM 0 HD21 LEU A 3 2.104 -10.032 1.434 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.731 -10.376 3.064 1.00 0.49 H new ATOM 0 HD23 LEU A 3 2.932 -11.573 1.762 1.00 0.49 H new ATOM 243 N PRO A 4 4.335 -13.469 4.285 1.00 0.50 N ATOM 244 CA PRO A 4 5.268 -13.494 5.400 1.00 0.54 C ATOM 245 C PRO A 4 4.844 -12.489 6.464 1.00 0.47 C ATOM 246 O PRO A 4 4.485 -11.349 6.148 1.00 0.42 O ATOM 247 CB PRO A 4 6.614 -13.110 4.775 1.00 0.60 C ATOM 248 CG PRO A 4 6.281 -12.428 3.492 1.00 0.61 C ATOM 249 CD PRO A 4 4.945 -12.961 3.047 1.00 0.52 C ATOM 0 HA PRO A 4 5.312 -14.463 5.898 1.00 0.54 H new ATOM 0 HB2 PRO A 4 7.178 -12.451 5.434 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.231 -13.992 4.602 1.00 0.60 H new ATOM 0 HG2 PRO A 4 6.240 -11.347 3.629 1.00 0.61 H new ATOM 0 HG3 PRO A 4 7.045 -12.625 2.740 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.335 -12.180 2.593 1.00 0.52 H new ATOM 0 HD3 PRO A 4 5.058 -13.751 2.304 1.00 0.52 H new ATOM 257 N ASP A 5 4.871 -12.926 7.720 1.00 0.51 N ATOM 258 CA ASP A 5 4.355 -12.141 8.845 1.00 0.51 C ATOM 259 C ASP A 5 4.997 -10.760 8.944 1.00 0.45 C ATOM 260 O ASP A 5 4.464 -9.876 9.616 1.00 0.44 O ATOM 261 CB ASP A 5 4.544 -12.900 10.163 1.00 0.63 C ATOM 262 CG ASP A 5 6.002 -13.075 10.542 1.00 1.50 C ATOM 263 OD1 ASP A 5 6.459 -12.403 11.489 1.00 2.09 O ATOM 264 OD2 ASP A 5 6.700 -13.873 9.886 1.00 2.19 O ATOM 0 H ASP A 5 5.250 -13.834 7.990 1.00 0.51 H new ATOM 0 HA ASP A 5 3.292 -11.992 8.658 1.00 0.51 H new ATOM 0 HB2 ASP A 5 4.029 -12.365 10.961 1.00 0.63 H new ATOM 0 HB3 ASP A 5 4.075 -13.881 10.082 1.00 0.63 H new ATOM 269 N LYS A 6 6.135 -10.579 8.285 1.00 0.45 N ATOM 270 CA LYS A 6 6.794 -9.278 8.227 1.00 0.45 C ATOM 271 C LYS A 6 5.866 -8.183 7.686 1.00 0.38 C ATOM 272 O LYS A 6 5.988 -7.021 8.072 1.00 0.42 O ATOM 273 CB LYS A 6 8.044 -9.349 7.351 1.00 0.56 C ATOM 274 CG LYS A 6 9.076 -10.367 7.805 1.00 1.10 C ATOM 275 CD LYS A 6 10.283 -10.366 6.881 1.00 1.64 C ATOM 276 CE LYS A 6 11.334 -11.377 7.313 1.00 2.01 C ATOM 277 NZ LYS A 6 10.810 -12.767 7.308 1.00 2.53 N ATOM 0 H LYS A 6 6.623 -11.319 7.781 1.00 0.45 H new ATOM 0 HA LYS A 6 7.069 -9.020 9.250 1.00 0.45 H new ATOM 0 HB2 LYS A 6 7.744 -9.586 6.330 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.511 -8.364 7.326 1.00 0.56 H new ATOM 0 HG2 LYS A 6 9.392 -10.141 8.823 1.00 1.10 H new ATOM 0 HG3 LYS A 6 8.628 -11.361 7.824 1.00 1.10 H new ATOM 0 HD2 LYS A 6 9.961 -10.590 5.864 1.00 1.64 H new ATOM 0 HD3 LYS A 6 10.725 -9.370 6.863 1.00 1.64 H new ATOM 0 HE2 LYS A 6 12.194 -11.312 6.646 1.00 2.01 H new ATOM 0 HE3 LYS A 6 11.687 -11.127 8.314 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 11.598 -13.435 7.425 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 10.135 -12.886 8.090 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 10.329 -12.954 6.405 1.00 2.53 H new ATOM 291 N PHE A 7 4.943 -8.538 6.792 1.00 0.36 N ATOM 292 CA PHE A 7 4.074 -7.539 6.178 1.00 0.35 C ATOM 293 C PHE A 7 2.738 -7.448 6.900 1.00 0.32 C ATOM 294 O PHE A 7 1.875 -6.670 6.510 1.00 0.35 O ATOM 295 CB PHE A 7 3.816 -7.872 4.704 1.00 0.39 C ATOM 296 CG PHE A 7 5.045 -7.866 3.843 1.00 0.42 C ATOM 297 CD1 PHE A 7 5.823 -6.725 3.736 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.423 -8.998 3.145 1.00 0.48 C ATOM 299 CE1 PHE A 7 6.956 -6.715 2.949 1.00 0.60 C ATOM 300 CE2 PHE A 7 6.556 -8.994 2.356 1.00 0.54 C ATOM 301 CZ PHE A 7 7.313 -7.856 2.246 1.00 0.57 C ATOM 0 H PHE A 7 4.780 -9.496 6.481 1.00 0.36 H new ATOM 0 HA PHE A 7 4.588 -6.581 6.253 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.349 -8.855 4.643 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.102 -7.154 4.301 1.00 0.39 H new ATOM 0 HD1 PHE A 7 5.539 -5.833 4.275 1.00 0.52 H new ATOM 0 HD2 PHE A 7 4.826 -9.895 3.218 1.00 0.48 H new ATOM 0 HE1 PHE A 7 7.562 -5.823 2.881 1.00 0.60 H new ATOM 0 HE2 PHE A 7 6.846 -9.888 1.825 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.187 -7.848 1.612 1.00 0.57 H new ATOM 311 N LEU A 8 2.574 -8.226 7.958 1.00 0.30 N ATOM 312 CA LEU A 8 1.283 -8.333 8.609 1.00 0.29 C ATOM 313 C LEU A 8 1.222 -7.488 9.872 1.00 0.29 C ATOM 314 O LEU A 8 2.235 -7.262 10.542 1.00 0.33 O ATOM 315 CB LEU A 8 0.984 -9.798 8.919 1.00 0.34 C ATOM 316 CG LEU A 8 0.948 -10.703 7.688 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.741 -12.150 8.086 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.145 -10.252 6.735 1.00 0.35 C ATOM 0 H LEU A 8 3.314 -8.788 8.380 1.00 0.30 H new ATOM 0 HA LEU A 8 0.522 -7.949 7.929 1.00 0.29 H new ATOM 0 HB2 LEU A 8 1.739 -10.173 9.610 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.024 -9.861 9.431 1.00 0.34 H new ATOM 0 HG LEU A 8 1.909 -10.627 7.179 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.719 -12.774 7.192 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.559 -12.470 8.732 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -0.204 -12.249 8.621 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.159 -10.905 5.863 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -1.110 -10.299 7.240 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.049 -9.227 6.418 1.00 0.35 H new ATOM 330 N GLY A 9 0.024 -7.024 10.185 1.00 0.32 N ATOM 331 CA GLY A 9 -0.176 -6.169 11.331 1.00 0.33 C ATOM 332 C GLY A 9 -0.628 -4.786 10.923 1.00 0.31 C ATOM 333 O GLY A 9 -0.904 -4.541 9.747 1.00 0.52 O ATOM 0 H GLY A 9 -0.824 -7.229 9.656 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.919 -6.615 11.992 1.00 0.33 H new ATOM 0 HA3 GLY A 9 0.752 -6.096 11.898 1.00 0.33 H new ATOM 337 N THR A 10 -0.719 -3.886 11.887 1.00 0.34 N ATOM 338 CA THR A 10 -1.113 -2.521 11.615 1.00 0.35 C ATOM 339 C THR A 10 0.093 -1.589 11.698 1.00 0.32 C ATOM 340 O THR A 10 0.781 -1.537 12.719 1.00 0.40 O ATOM 341 CB THR A 10 -2.200 -2.065 12.600 1.00 0.38 C ATOM 342 OG1 THR A 10 -3.282 -3.006 12.594 1.00 1.05 O ATOM 343 CG2 THR A 10 -2.721 -0.690 12.233 1.00 0.99 C ATOM 0 H THR A 10 -0.524 -4.081 12.869 1.00 0.34 H new ATOM 0 HA THR A 10 -1.519 -2.480 10.604 1.00 0.35 H new ATOM 0 HB THR A 10 -1.761 -2.014 13.597 1.00 0.38 H new ATOM 0 HG1 THR A 10 -3.973 -2.714 13.224 1.00 1.05 H new ATOM 0 HG21 THR A 10 -3.489 -0.390 12.945 1.00 0.99 H new ATOM 0 HG22 THR A 10 -1.902 0.028 12.259 1.00 0.99 H new ATOM 0 HG23 THR A 10 -3.147 -0.718 11.230 1.00 0.99 H new ATOM 351 N PHE A 11 0.357 -0.879 10.612 1.00 0.27 N ATOM 352 CA PHE A 11 1.493 0.031 10.534 1.00 0.27 C ATOM 353 C PHE A 11 1.015 1.476 10.428 1.00 0.28 C ATOM 354 O PHE A 11 0.166 1.775 9.589 1.00 0.32 O ATOM 355 CB PHE A 11 2.353 -0.280 9.296 1.00 0.31 C ATOM 356 CG PHE A 11 2.839 -1.701 9.185 1.00 0.33 C ATOM 357 CD1 PHE A 11 4.150 -2.031 9.497 1.00 0.42 C ATOM 358 CD2 PHE A 11 1.975 -2.712 8.793 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.590 -3.337 9.416 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.411 -4.021 8.709 1.00 0.43 C ATOM 361 CZ PHE A 11 3.755 -4.316 8.937 1.00 0.44 C ATOM 0 H PHE A 11 -0.206 -0.916 9.763 1.00 0.27 H new ATOM 0 HA PHE A 11 2.083 -0.102 11.441 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.774 -0.042 8.404 1.00 0.31 H new ATOM 0 HB3 PHE A 11 3.219 0.382 9.301 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.835 -1.256 9.807 1.00 0.42 H new ATOM 0 HD2 PHE A 11 0.950 -2.474 8.551 1.00 0.38 H new ATOM 0 HE1 PHE A 11 5.592 -3.589 9.730 1.00 0.47 H new ATOM 0 HE2 PHE A 11 1.715 -4.811 8.468 1.00 0.43 H new ATOM 0 HZ PHE A 11 4.136 -5.307 8.738 1.00 0.44 H new ATOM 371 N LYS A 12 1.535 2.382 11.259 1.00 0.29 N ATOM 372 CA LYS A 12 1.223 3.794 11.071 1.00 0.33 C ATOM 373 C LYS A 12 2.376 4.517 10.369 1.00 0.27 C ATOM 374 O LYS A 12 3.550 4.295 10.674 1.00 0.69 O ATOM 375 CB LYS A 12 0.850 4.469 12.404 1.00 0.48 C ATOM 376 CG LYS A 12 1.929 4.455 13.484 1.00 0.78 C ATOM 377 CD LYS A 12 2.945 5.583 13.320 1.00 1.28 C ATOM 378 CE LYS A 12 2.304 6.961 13.415 1.00 1.72 C ATOM 379 NZ LYS A 12 1.680 7.203 14.742 1.00 2.19 N ATOM 0 H LYS A 12 2.153 2.171 12.042 1.00 0.29 H new ATOM 0 HA LYS A 12 0.348 3.864 10.424 1.00 0.33 H new ATOM 0 HB2 LYS A 12 0.580 5.505 12.201 1.00 0.48 H new ATOM 0 HB3 LYS A 12 -0.040 3.980 12.800 1.00 0.48 H new ATOM 0 HG2 LYS A 12 1.457 4.536 14.463 1.00 0.78 H new ATOM 0 HG3 LYS A 12 2.449 3.497 13.459 1.00 0.78 H new ATOM 0 HD2 LYS A 12 3.714 5.490 14.087 1.00 1.28 H new ATOM 0 HD3 LYS A 12 3.443 5.483 12.355 1.00 1.28 H new ATOM 0 HE2 LYS A 12 3.059 7.724 13.227 1.00 1.72 H new ATOM 0 HE3 LYS A 12 1.548 7.062 12.637 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 1.377 8.196 14.807 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 0.854 6.581 14.856 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 2.371 7.001 15.493 1.00 2.19 H new ATOM 393 N LEU A 13 2.023 5.336 9.384 1.00 0.60 N ATOM 394 CA LEU A 13 2.989 6.129 8.627 1.00 0.50 C ATOM 395 C LEU A 13 3.841 7.003 9.537 1.00 0.46 C ATOM 396 O LEU A 13 3.318 7.775 10.340 1.00 0.52 O ATOM 397 CB LEU A 13 2.251 7.017 7.621 1.00 0.52 C ATOM 398 CG LEU A 13 3.131 7.948 6.786 1.00 0.55 C ATOM 399 CD1 LEU A 13 4.041 7.150 5.867 1.00 1.14 C ATOM 400 CD2 LEU A 13 2.268 8.906 5.982 1.00 1.04 C ATOM 0 H LEU A 13 1.057 5.470 9.086 1.00 0.60 H new ATOM 0 HA LEU A 13 3.650 5.436 8.107 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.688 6.376 6.943 1.00 0.52 H new ATOM 0 HB3 LEU A 13 1.525 7.623 8.163 1.00 0.52 H new ATOM 0 HG LEU A 13 3.758 8.528 7.463 1.00 0.55 H new ATOM 0 HD11 LEU A 13 4.658 7.833 5.283 1.00 1.14 H new ATOM 0 HD12 LEU A 13 4.683 6.502 6.464 1.00 1.14 H new ATOM 0 HD13 LEU A 13 3.436 6.542 5.194 1.00 1.14 H new ATOM 0 HD21 LEU A 13 2.907 9.563 5.392 1.00 1.04 H new ATOM 0 HD22 LEU A 13 1.618 8.339 5.316 1.00 1.04 H new ATOM 0 HD23 LEU A 13 1.660 9.504 6.660 1.00 1.04 H new ATOM 412 N GLU A 14 5.155 6.872 9.412 1.00 0.45 N ATOM 413 CA GLU A 14 6.078 7.725 10.138 1.00 0.48 C ATOM 414 C GLU A 14 6.441 8.924 9.263 1.00 0.45 C ATOM 415 O GLU A 14 6.228 10.072 9.647 1.00 0.49 O ATOM 416 CB GLU A 14 7.337 6.929 10.511 1.00 0.55 C ATOM 417 CG GLU A 14 8.067 7.430 11.752 1.00 0.67 C ATOM 418 CD GLU A 14 8.562 8.857 11.629 1.00 1.17 C ATOM 419 OE1 GLU A 14 9.415 9.125 10.759 1.00 2.08 O ATOM 420 OE2 GLU A 14 8.112 9.711 12.419 1.00 1.56 O ATOM 0 H GLU A 14 5.604 6.180 8.812 1.00 0.45 H new ATOM 0 HA GLU A 14 5.611 8.081 11.057 1.00 0.48 H new ATOM 0 HB2 GLU A 14 7.058 5.887 10.667 1.00 0.55 H new ATOM 0 HB3 GLU A 14 8.027 6.951 9.667 1.00 0.55 H new ATOM 0 HG2 GLU A 14 7.399 7.359 12.610 1.00 0.67 H new ATOM 0 HG3 GLU A 14 8.915 6.776 11.953 1.00 0.67 H new ATOM 427 N ARG A 15 6.942 8.643 8.061 1.00 0.42 N ATOM 428 CA ARG A 15 7.401 9.686 7.154 1.00 0.44 C ATOM 429 C ARG A 15 7.410 9.184 5.713 1.00 0.37 C ATOM 430 O ARG A 15 7.053 8.038 5.445 1.00 0.38 O ATOM 431 CB ARG A 15 8.811 10.131 7.538 1.00 0.51 C ATOM 432 CG ARG A 15 9.846 9.026 7.413 1.00 0.53 C ATOM 433 CD ARG A 15 11.242 9.546 7.681 1.00 0.77 C ATOM 434 NE ARG A 15 12.245 8.484 7.617 1.00 1.68 N ATOM 435 CZ ARG A 15 13.303 8.497 6.806 1.00 2.34 C ATOM 436 NH1 ARG A 15 13.517 9.522 5.990 1.00 2.45 N ATOM 437 NH2 ARG A 15 14.157 7.481 6.820 1.00 3.36 N ATOM 0 H ARG A 15 7.039 7.696 7.694 1.00 0.42 H new ATOM 0 HA ARG A 15 6.715 10.529 7.233 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.105 10.968 6.905 1.00 0.51 H new ATOM 0 HB3 ARG A 15 8.802 10.496 8.565 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.613 8.226 8.115 1.00 0.53 H new ATOM 0 HG3 ARG A 15 9.802 8.595 6.413 1.00 0.53 H new ATOM 0 HD2 ARG A 15 11.486 10.320 6.953 1.00 0.77 H new ATOM 0 HD3 ARG A 15 11.272 10.014 8.665 1.00 0.77 H new ATOM 0 HE ARG A 15 12.127 7.680 8.234 1.00 1.68 H new ATOM 0 HH11 ARG A 15 12.869 10.310 5.980 1.00 2.45 H new ATOM 0 HH12 ARG A 15 14.330 9.522 5.373 1.00 2.45 H new ATOM 0 HH21 ARG A 15 14.003 6.694 7.450 1.00 3.36 H new ATOM 0 HH22 ARG A 15 14.968 7.488 6.201 1.00 3.36 H new ATOM 451 N ASP A 16 7.841 10.041 4.803 1.00 0.38 N ATOM 452 CA ASP A 16 7.977 9.687 3.396 1.00 0.43 C ATOM 453 C ASP A 16 8.991 10.602 2.731 1.00 0.39 C ATOM 454 O ASP A 16 9.403 11.605 3.315 1.00 0.52 O ATOM 455 CB ASP A 16 6.630 9.739 2.659 1.00 0.66 C ATOM 456 CG ASP A 16 5.851 11.020 2.894 1.00 0.68 C ATOM 457 OD1 ASP A 16 4.693 10.930 3.354 1.00 1.19 O ATOM 458 OD2 ASP A 16 6.385 12.114 2.628 1.00 0.72 O ATOM 0 H ASP A 16 8.107 11.002 5.016 1.00 0.38 H new ATOM 0 HA ASP A 16 8.331 8.658 3.340 1.00 0.43 H new ATOM 0 HB2 ASP A 16 6.807 9.624 1.590 1.00 0.66 H new ATOM 0 HB3 ASP A 16 6.021 8.892 2.974 1.00 0.66 H new ATOM 463 N GLU A 17 9.408 10.251 1.526 1.00 0.36 N ATOM 464 CA GLU A 17 10.463 10.982 0.847 1.00 0.38 C ATOM 465 C GLU A 17 10.217 11.036 -0.658 1.00 0.40 C ATOM 466 O GLU A 17 9.934 10.010 -1.277 1.00 0.83 O ATOM 467 CB GLU A 17 11.802 10.308 1.150 1.00 0.48 C ATOM 468 CG GLU A 17 13.004 11.018 0.562 1.00 1.18 C ATOM 469 CD GLU A 17 13.026 12.494 0.896 1.00 1.83 C ATOM 470 OE1 GLU A 17 13.112 13.317 -0.037 1.00 2.66 O ATOM 471 OE2 GLU A 17 12.934 12.842 2.091 1.00 2.13 O ATOM 0 H GLU A 17 9.031 9.464 0.998 1.00 0.36 H new ATOM 0 HA GLU A 17 10.477 12.010 1.210 1.00 0.38 H new ATOM 0 HB2 GLU A 17 11.926 10.242 2.231 1.00 0.48 H new ATOM 0 HB3 GLU A 17 11.776 9.287 0.770 1.00 0.48 H new ATOM 0 HG2 GLU A 17 13.916 10.551 0.934 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.001 10.894 -0.521 1.00 1.18 H new ATOM 478 N ASN A 18 10.312 12.244 -1.224 1.00 0.34 N ATOM 479 CA ASN A 18 10.180 12.473 -2.672 1.00 0.30 C ATOM 480 C ASN A 18 8.740 12.231 -3.131 1.00 0.28 C ATOM 481 O ASN A 18 8.475 11.913 -4.297 1.00 0.27 O ATOM 482 CB ASN A 18 11.156 11.575 -3.449 1.00 0.32 C ATOM 483 CG ASN A 18 11.541 12.151 -4.797 1.00 0.42 C ATOM 484 OD1 ASN A 18 11.607 13.369 -4.972 1.00 0.76 O ATOM 485 ND2 ASN A 18 11.816 11.282 -5.756 1.00 0.66 N ATOM 0 H ASN A 18 10.483 13.096 -0.690 1.00 0.34 H new ATOM 0 HA ASN A 18 10.430 13.513 -2.879 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.056 11.425 -2.853 1.00 0.32 H new ATOM 0 HB3 ASN A 18 10.703 10.595 -3.595 1.00 0.32 H new ATOM 0 HD21 ASN A 18 12.094 11.613 -6.680 1.00 0.66 H new ATOM 0 HD22 ASN A 18 11.750 10.281 -5.572 1.00 0.66 H new ATOM 492 N PHE A 19 7.810 12.422 -2.203 1.00 0.30 N ATOM 493 CA PHE A 19 6.411 12.103 -2.440 1.00 0.31 C ATOM 494 C PHE A 19 5.769 13.110 -3.392 1.00 0.31 C ATOM 495 O PHE A 19 4.993 12.733 -4.269 1.00 0.32 O ATOM 496 CB PHE A 19 5.648 12.048 -1.113 1.00 0.37 C ATOM 497 CG PHE A 19 4.318 11.349 -1.204 1.00 0.36 C ATOM 498 CD1 PHE A 19 4.221 10.097 -1.790 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.173 11.935 -0.691 1.00 0.45 C ATOM 500 CE1 PHE A 19 3.007 9.444 -1.866 1.00 0.49 C ATOM 501 CE2 PHE A 19 1.956 11.286 -0.766 1.00 0.48 C ATOM 502 CZ PHE A 19 1.872 10.038 -1.354 1.00 0.44 C ATOM 0 H PHE A 19 8.003 12.798 -1.275 1.00 0.30 H new ATOM 0 HA PHE A 19 6.360 11.122 -2.913 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.264 11.540 -0.371 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.489 13.065 -0.754 1.00 0.37 H new ATOM 0 HD1 PHE A 19 5.106 9.626 -2.192 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.232 12.909 -0.228 1.00 0.45 H new ATOM 0 HE1 PHE A 19 2.946 8.469 -2.326 1.00 0.49 H new ATOM 0 HE2 PHE A 19 1.069 11.754 -0.365 1.00 0.48 H new ATOM 0 HZ PHE A 19 0.921 9.530 -1.412 1.00 0.44 H new ATOM 512 N ASP A 20 6.102 14.388 -3.222 1.00 0.33 N ATOM 513 CA ASP A 20 5.578 15.444 -4.093 1.00 0.37 C ATOM 514 C ASP A 20 5.944 15.186 -5.549 1.00 0.33 C ATOM 515 O ASP A 20 5.079 15.201 -6.427 1.00 0.33 O ATOM 516 CB ASP A 20 6.113 16.811 -3.659 1.00 0.46 C ATOM 517 CG ASP A 20 5.543 17.949 -4.485 1.00 1.08 C ATOM 518 OD1 ASP A 20 6.281 18.514 -5.318 1.00 1.22 O ATOM 519 OD2 ASP A 20 4.348 18.266 -4.326 1.00 2.04 O ATOM 0 H ASP A 20 6.731 14.719 -2.491 1.00 0.33 H new ATOM 0 HA ASP A 20 4.492 15.440 -4.003 1.00 0.37 H new ATOM 0 HB2 ASP A 20 5.873 16.974 -2.608 1.00 0.46 H new ATOM 0 HB3 ASP A 20 7.200 16.815 -3.742 1.00 0.46 H new ATOM 524 N GLU A 21 7.228 14.936 -5.797 1.00 0.34 N ATOM 525 CA GLU A 21 7.711 14.647 -7.144 1.00 0.35 C ATOM 526 C GLU A 21 6.956 13.477 -7.763 1.00 0.31 C ATOM 527 O GLU A 21 6.581 13.526 -8.938 1.00 0.34 O ATOM 528 CB GLU A 21 9.207 14.353 -7.132 1.00 0.41 C ATOM 529 CG GLU A 21 10.064 15.594 -6.984 1.00 0.51 C ATOM 530 CD GLU A 21 9.868 16.570 -8.127 1.00 1.14 C ATOM 531 OE1 GLU A 21 10.357 16.292 -9.241 1.00 1.65 O ATOM 532 OE2 GLU A 21 9.232 17.622 -7.920 1.00 1.79 O ATOM 0 H GLU A 21 7.954 14.928 -5.080 1.00 0.34 H new ATOM 0 HA GLU A 21 7.531 15.533 -7.753 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.428 13.668 -6.313 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.477 13.843 -8.057 1.00 0.41 H new ATOM 0 HG2 GLU A 21 9.824 16.088 -6.043 1.00 0.51 H new ATOM 0 HG3 GLU A 21 11.113 15.304 -6.933 1.00 0.51 H new ATOM 539 N TYR A 22 6.728 12.432 -6.973 1.00 0.29 N ATOM 540 CA TYR A 22 5.957 11.286 -7.437 1.00 0.28 C ATOM 541 C TYR A 22 4.553 11.711 -7.858 1.00 0.30 C ATOM 542 O TYR A 22 4.019 11.222 -8.855 1.00 0.33 O ATOM 543 CB TYR A 22 5.876 10.215 -6.346 1.00 0.30 C ATOM 544 CG TYR A 22 4.929 9.080 -6.674 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.655 9.026 -6.122 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.313 8.060 -7.535 1.00 0.38 C ATOM 547 CE1 TYR A 22 2.792 7.987 -6.419 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.458 7.020 -7.836 1.00 0.44 C ATOM 549 CZ TYR A 22 3.177 7.006 -7.276 1.00 0.50 C ATOM 550 OH TYR A 22 2.347 5.949 -7.579 1.00 0.57 O ATOM 0 H TYR A 22 7.065 12.356 -6.013 1.00 0.29 H new ATOM 0 HA TYR A 22 6.467 10.866 -8.304 1.00 0.28 H new ATOM 0 HB2 TYR A 22 6.872 9.807 -6.176 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.559 10.682 -5.414 1.00 0.30 H new ATOM 0 HD1 TYR A 22 3.334 9.808 -5.450 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.298 8.081 -7.977 1.00 0.38 H new ATOM 0 HE1 TYR A 22 1.811 7.956 -5.969 1.00 0.48 H new ATOM 0 HE2 TYR A 22 4.774 6.226 -8.496 1.00 0.44 H new ATOM 0 HH TYR A 22 2.797 5.350 -8.211 1.00 0.57 H new ATOM 560 N LEU A 23 3.964 12.632 -7.106 1.00 0.28 N ATOM 561 CA LEU A 23 2.610 13.086 -7.385 1.00 0.30 C ATOM 562 C LEU A 23 2.564 13.870 -8.684 1.00 0.34 C ATOM 563 O LEU A 23 1.631 13.728 -9.472 1.00 0.37 O ATOM 564 CB LEU A 23 2.079 13.943 -6.238 1.00 0.30 C ATOM 565 CG LEU A 23 1.980 13.233 -4.891 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.360 14.152 -3.858 1.00 0.33 C ATOM 567 CD2 LEU A 23 1.172 11.951 -5.019 1.00 0.32 C ATOM 0 H LEU A 23 4.402 13.078 -6.300 1.00 0.28 H new ATOM 0 HA LEU A 23 1.975 12.206 -7.485 1.00 0.30 H new ATOM 0 HB2 LEU A 23 2.726 14.813 -6.126 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.090 14.313 -6.509 1.00 0.30 H new ATOM 0 HG LEU A 23 2.986 12.970 -4.563 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.295 13.633 -2.902 1.00 0.33 H new ATOM 0 HD12 LEU A 23 1.978 15.043 -3.746 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.360 14.442 -4.182 1.00 0.33 H new ATOM 0 HD21 LEU A 23 1.113 11.460 -4.048 1.00 0.32 H new ATOM 0 HD22 LEU A 23 0.167 12.188 -5.367 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.656 11.285 -5.734 1.00 0.32 H new ATOM 579 N LYS A 24 3.585 14.683 -8.909 1.00 0.34 N ATOM 580 CA LYS A 24 3.687 15.458 -10.133 1.00 0.39 C ATOM 581 C LYS A 24 3.791 14.520 -11.328 1.00 0.40 C ATOM 582 O LYS A 24 3.055 14.651 -12.306 1.00 0.44 O ATOM 583 CB LYS A 24 4.906 16.379 -10.081 1.00 0.41 C ATOM 584 CG LYS A 24 4.820 17.450 -9.001 1.00 0.45 C ATOM 585 CD LYS A 24 6.141 18.188 -8.842 1.00 0.55 C ATOM 586 CE LYS A 24 6.568 18.873 -10.130 1.00 1.35 C ATOM 587 NZ LYS A 24 7.940 19.434 -10.026 1.00 1.88 N ATOM 0 H LYS A 24 4.356 14.822 -8.256 1.00 0.34 H new ATOM 0 HA LYS A 24 2.793 16.073 -10.236 1.00 0.39 H new ATOM 0 HB2 LYS A 24 5.798 15.776 -9.912 1.00 0.41 H new ATOM 0 HB3 LYS A 24 5.027 16.862 -11.051 1.00 0.41 H new ATOM 0 HG2 LYS A 24 4.033 18.161 -9.254 1.00 0.45 H new ATOM 0 HG3 LYS A 24 4.542 16.990 -8.052 1.00 0.45 H new ATOM 0 HD2 LYS A 24 6.048 18.931 -8.050 1.00 0.55 H new ATOM 0 HD3 LYS A 24 6.914 17.485 -8.531 1.00 0.55 H new ATOM 0 HE2 LYS A 24 6.528 18.159 -10.952 1.00 1.35 H new ATOM 0 HE3 LYS A 24 5.865 19.672 -10.367 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 8.409 19.379 -10.953 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 7.887 20.427 -9.723 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 8.486 18.888 -9.329 1.00 1.88 H new ATOM 601 N ALA A 25 4.701 13.561 -11.218 1.00 0.40 N ATOM 602 CA ALA A 25 4.898 12.551 -12.253 1.00 0.43 C ATOM 603 C ALA A 25 3.608 11.775 -12.517 1.00 0.43 C ATOM 604 O ALA A 25 3.266 11.492 -13.663 1.00 0.44 O ATOM 605 CB ALA A 25 6.016 11.602 -11.857 1.00 0.43 C ATOM 0 H ALA A 25 5.321 13.460 -10.414 1.00 0.40 H new ATOM 0 HA ALA A 25 5.179 13.060 -13.175 1.00 0.43 H new ATOM 0 HB1 ALA A 25 6.152 10.854 -12.638 1.00 0.43 H new ATOM 0 HB2 ALA A 25 6.941 12.164 -11.727 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.758 11.106 -10.921 1.00 0.43 H new ATOM 611 N ARG A 26 2.891 11.457 -11.445 1.00 0.43 N ATOM 612 CA ARG A 26 1.636 10.715 -11.541 1.00 0.45 C ATOM 613 C ARG A 26 0.526 11.557 -12.162 1.00 0.47 C ATOM 614 O ARG A 26 -0.527 11.034 -12.519 1.00 0.51 O ATOM 615 CB ARG A 26 1.197 10.216 -10.166 1.00 0.48 C ATOM 616 CG ARG A 26 1.795 8.876 -9.774 1.00 0.85 C ATOM 617 CD ARG A 26 1.180 7.736 -10.573 1.00 0.72 C ATOM 618 NE ARG A 26 -0.256 7.598 -10.320 1.00 0.76 N ATOM 619 CZ ARG A 26 -1.185 7.547 -11.276 1.00 0.78 C ATOM 620 NH1 ARG A 26 -0.837 7.603 -12.558 1.00 1.29 N ATOM 621 NH2 ARG A 26 -2.464 7.429 -10.947 1.00 1.06 N ATOM 0 H ARG A 26 3.159 11.703 -10.492 1.00 0.43 H new ATOM 0 HA ARG A 26 1.818 9.860 -12.193 1.00 0.45 H new ATOM 0 HB2 ARG A 26 1.473 10.958 -9.417 1.00 0.48 H new ATOM 0 HB3 ARG A 26 0.110 10.136 -10.150 1.00 0.48 H new ATOM 0 HG2 ARG A 26 2.873 8.896 -9.937 1.00 0.85 H new ATOM 0 HG3 ARG A 26 1.636 8.703 -8.710 1.00 0.85 H new ATOM 0 HD2 ARG A 26 1.345 7.909 -11.636 1.00 0.72 H new ATOM 0 HD3 ARG A 26 1.684 6.803 -10.319 1.00 0.72 H new ATOM 0 HE ARG A 26 -0.566 7.537 -9.350 1.00 0.76 H new ATOM 0 HH11 ARG A 26 0.146 7.686 -12.816 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -1.553 7.563 -13.283 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.735 7.377 -9.965 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -3.177 7.390 -11.676 1.00 1.06 H new ATOM 635 N GLY A 27 0.760 12.854 -12.285 1.00 0.46 N ATOM 636 CA GLY A 27 -0.213 13.719 -12.919 1.00 0.49 C ATOM 637 C GLY A 27 -1.146 14.382 -11.930 1.00 0.50 C ATOM 638 O GLY A 27 -2.246 14.801 -12.291 1.00 0.62 O ATOM 0 H GLY A 27 1.605 13.323 -11.958 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.309 14.487 -13.489 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -0.800 13.137 -13.630 1.00 0.49 H new ATOM 642 N TYR A 28 -0.721 14.479 -10.680 1.00 0.48 N ATOM 643 CA TYR A 28 -1.511 15.153 -9.664 1.00 0.53 C ATOM 644 C TYR A 28 -1.094 16.612 -9.572 1.00 0.56 C ATOM 645 O TYR A 28 0.086 16.923 -9.394 1.00 0.54 O ATOM 646 CB TYR A 28 -1.345 14.472 -8.302 1.00 0.51 C ATOM 647 CG TYR A 28 -1.847 13.045 -8.266 1.00 0.53 C ATOM 648 CD1 TYR A 28 -0.965 11.980 -8.150 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.204 12.765 -8.353 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.419 10.674 -8.128 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.666 11.465 -8.326 1.00 0.63 C ATOM 652 CZ TYR A 28 -2.771 10.422 -8.218 1.00 0.60 C ATOM 653 OH TYR A 28 -3.226 9.120 -8.217 1.00 0.64 O ATOM 0 H TYR A 28 0.165 14.100 -10.346 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.562 15.095 -9.948 1.00 0.53 H new ATOM 0 HB2 TYR A 28 -0.290 14.483 -8.027 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.877 15.053 -7.549 1.00 0.51 H new ATOM 0 HD1 TYR A 28 0.095 12.175 -8.076 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -3.909 13.578 -8.443 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -0.719 9.857 -8.041 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -4.725 11.265 -8.389 1.00 0.63 H new ATOM 0 HH TYR A 28 -2.473 8.510 -8.072 1.00 0.64 H new ATOM 663 N GLY A 29 -2.064 17.502 -9.712 1.00 0.68 N ATOM 664 CA GLY A 29 -1.786 18.922 -9.652 1.00 0.80 C ATOM 665 C GLY A 29 -1.608 19.416 -8.232 1.00 0.88 C ATOM 666 O GLY A 29 -1.714 18.636 -7.282 1.00 1.54 O ATOM 0 H GLY A 29 -3.044 17.265 -9.867 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -0.884 19.137 -10.224 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -2.602 19.469 -10.125 1.00 0.80 H new ATOM 670 N TRP A 30 -1.343 20.710 -8.095 1.00 0.54 N ATOM 671 CA TRP A 30 -1.108 21.342 -6.798 1.00 0.56 C ATOM 672 C TRP A 30 -2.200 20.985 -5.789 1.00 0.54 C ATOM 673 O TRP A 30 -1.902 20.571 -4.672 1.00 0.52 O ATOM 674 CB TRP A 30 -1.021 22.864 -6.980 1.00 0.65 C ATOM 675 CG TRP A 30 -0.927 23.634 -5.697 1.00 0.75 C ATOM 676 CD1 TRP A 30 0.203 23.916 -4.984 1.00 0.84 C ATOM 677 CD2 TRP A 30 -2.013 24.232 -4.983 1.00 0.86 C ATOM 678 NE1 TRP A 30 -0.118 24.650 -3.866 1.00 0.98 N ATOM 679 CE2 TRP A 30 -1.473 24.855 -3.843 1.00 0.99 C ATOM 680 CE3 TRP A 30 -3.390 24.299 -5.197 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -2.267 25.535 -2.923 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -4.174 24.972 -4.285 1.00 1.07 C ATOM 683 CH2 TRP A 30 -3.613 25.582 -3.161 1.00 1.18 C ATOM 0 H TRP A 30 -1.284 21.355 -8.883 1.00 0.54 H new ATOM 0 HA TRP A 30 -0.165 20.967 -6.399 1.00 0.56 H new ATOM 0 HB2 TRP A 30 -0.151 23.096 -7.594 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -1.899 23.203 -7.530 1.00 0.65 H new ATOM 0 HD1 TRP A 30 1.201 23.608 -5.258 1.00 0.84 H new ATOM 0 HE1 TRP A 30 0.545 24.987 -3.168 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -3.834 23.831 -6.063 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -1.836 26.008 -2.053 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -5.241 25.029 -4.442 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -4.255 26.102 -2.465 1.00 1.18 H new ATOM 694 N ILE A 31 -3.458 21.138 -6.194 1.00 0.60 N ATOM 695 CA ILE A 31 -4.595 20.833 -5.332 1.00 0.63 C ATOM 696 C ILE A 31 -4.515 19.416 -4.772 1.00 0.53 C ATOM 697 O ILE A 31 -4.608 19.212 -3.560 1.00 0.51 O ATOM 698 CB ILE A 31 -5.932 21.032 -6.082 1.00 0.76 C ATOM 699 CG1 ILE A 31 -6.445 22.453 -5.870 1.00 1.05 C ATOM 700 CG2 ILE A 31 -6.978 20.017 -5.640 1.00 0.69 C ATOM 701 CD1 ILE A 31 -6.806 22.735 -4.432 1.00 2.16 C ATOM 0 H ILE A 31 -3.716 21.474 -7.122 1.00 0.60 H new ATOM 0 HA ILE A 31 -4.556 21.530 -4.495 1.00 0.63 H new ATOM 0 HB ILE A 31 -5.748 20.874 -7.145 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -5.683 23.162 -6.194 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -7.320 22.616 -6.499 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -7.905 20.187 -6.188 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -6.616 19.009 -5.844 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -7.163 20.127 -4.571 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -7.165 23.760 -4.341 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -7.589 22.047 -4.112 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -5.926 22.601 -3.803 1.00 2.16 H new ATOM 713 N MET A 32 -4.355 18.446 -5.657 1.00 0.48 N ATOM 714 CA MET A 32 -4.230 17.061 -5.243 1.00 0.43 C ATOM 715 C MET A 32 -3.024 16.863 -4.351 1.00 0.38 C ATOM 716 O MET A 32 -3.097 16.153 -3.358 1.00 0.39 O ATOM 717 CB MET A 32 -4.144 16.126 -6.445 1.00 0.48 C ATOM 718 CG MET A 32 -5.474 15.918 -7.141 1.00 0.55 C ATOM 719 SD MET A 32 -6.811 15.557 -5.989 1.00 0.97 S ATOM 720 CE MET A 32 -6.063 14.262 -5.012 1.00 0.48 C ATOM 0 H MET A 32 -4.309 18.593 -6.665 1.00 0.48 H new ATOM 0 HA MET A 32 -5.128 16.814 -4.677 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.427 16.530 -7.160 1.00 0.48 H new ATOM 0 HB3 MET A 32 -3.758 15.160 -6.118 1.00 0.48 H new ATOM 0 HG2 MET A 32 -5.724 16.811 -7.713 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.382 15.098 -7.854 1.00 0.55 H new ATOM 0 HE1 MET A 32 -6.806 13.843 -4.333 1.00 0.48 H new ATOM 0 HE2 MET A 32 -5.691 13.478 -5.671 1.00 0.48 H new ATOM 0 HE3 MET A 32 -5.235 14.674 -4.434 1.00 0.48 H new ATOM 730 N ARG A 33 -1.923 17.506 -4.697 1.00 0.39 N ATOM 731 CA ARG A 33 -0.707 17.397 -3.907 1.00 0.41 C ATOM 732 C ARG A 33 -0.918 17.970 -2.507 1.00 0.45 C ATOM 733 O ARG A 33 -0.312 17.508 -1.544 1.00 0.60 O ATOM 734 CB ARG A 33 0.458 18.088 -4.619 1.00 0.49 C ATOM 735 CG ARG A 33 0.843 17.405 -5.923 1.00 0.90 C ATOM 736 CD ARG A 33 2.070 18.033 -6.557 1.00 0.71 C ATOM 737 NE ARG A 33 1.821 19.390 -7.042 1.00 0.77 N ATOM 738 CZ ARG A 33 2.587 20.440 -6.747 1.00 0.99 C ATOM 739 NH1 ARG A 33 3.607 20.308 -5.909 1.00 1.87 N ATOM 740 NH2 ARG A 33 2.334 21.626 -7.289 1.00 1.03 N ATOM 0 H ARG A 33 -1.845 18.108 -5.517 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.458 16.341 -3.799 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.189 19.124 -4.823 1.00 0.49 H new ATOM 0 HB3 ARG A 33 1.323 18.107 -3.956 1.00 0.49 H new ATOM 0 HG2 ARG A 33 1.033 16.348 -5.736 1.00 0.90 H new ATOM 0 HG3 ARG A 33 0.007 17.460 -6.621 1.00 0.90 H new ATOM 0 HD2 ARG A 33 2.880 18.055 -5.828 1.00 0.71 H new ATOM 0 HD3 ARG A 33 2.405 17.410 -7.387 1.00 0.71 H new ATOM 0 HE ARG A 33 1.011 19.542 -7.643 1.00 0.77 H new ATOM 0 HH11 ARG A 33 3.807 19.401 -5.488 1.00 1.87 H new ATOM 0 HH12 ARG A 33 4.191 21.114 -5.686 1.00 1.87 H new ATOM 0 HH21 ARG A 33 1.551 21.736 -7.934 1.00 1.03 H new ATOM 0 HH22 ARG A 33 2.923 22.427 -7.061 1.00 1.03 H new ATOM 754 N GLN A 34 -1.809 18.949 -2.395 1.00 0.41 N ATOM 755 CA GLN A 34 -2.155 19.520 -1.101 1.00 0.46 C ATOM 756 C GLN A 34 -2.976 18.537 -0.277 1.00 0.47 C ATOM 757 O GLN A 34 -3.000 18.607 0.950 1.00 0.58 O ATOM 758 CB GLN A 34 -2.922 20.831 -1.276 1.00 0.51 C ATOM 759 CG GLN A 34 -2.075 21.952 -1.852 1.00 0.80 C ATOM 760 CD GLN A 34 -0.857 22.263 -1.003 1.00 1.39 C ATOM 761 OE1 GLN A 34 -0.980 22.095 0.306 1.00 1.88 O flip ATOM 762 NE2 GLN A 34 0.187 22.667 -1.518 1.00 1.97 N flip ATOM 0 H GLN A 34 -2.304 19.363 -3.185 1.00 0.41 H new ATOM 0 HA GLN A 34 -1.228 19.728 -0.567 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -3.777 20.659 -1.930 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -3.317 21.144 -0.310 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -1.752 21.678 -2.856 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -2.685 22.850 -1.947 1.00 0.80 H new ATOM 0 HE21 GLN A 34 0.245 22.784 -2.530 1.00 1.97 H new ATOM 0 HE22 GLN A 34 0.994 22.884 -0.933 1.00 1.97 H new ATOM 771 N VAL A 35 -3.670 17.636 -0.954 1.00 0.42 N ATOM 772 CA VAL A 35 -4.407 16.580 -0.281 1.00 0.42 C ATOM 773 C VAL A 35 -3.494 15.395 0.021 1.00 0.40 C ATOM 774 O VAL A 35 -3.201 15.093 1.179 1.00 0.44 O ATOM 775 CB VAL A 35 -5.582 16.090 -1.158 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.396 15.017 -0.453 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.471 17.252 -1.565 1.00 0.65 C ATOM 0 H VAL A 35 -3.738 17.616 -1.972 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.794 16.991 0.652 1.00 0.42 H new ATOM 0 HB VAL A 35 -5.156 15.646 -2.058 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -7.213 14.697 -1.099 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -5.756 14.164 -0.228 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -6.803 15.420 0.474 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -7.291 16.884 -2.182 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -6.874 17.731 -0.673 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -5.886 17.976 -2.133 1.00 0.65 H new ATOM 787 N ILE A 36 -3.052 14.746 -1.049 1.00 0.38 N ATOM 788 CA ILE A 36 -2.271 13.512 -0.995 1.00 0.39 C ATOM 789 C ILE A 36 -1.066 13.581 -0.042 1.00 0.46 C ATOM 790 O ILE A 36 -0.829 12.645 0.721 1.00 0.51 O ATOM 791 CB ILE A 36 -1.803 13.137 -2.409 1.00 0.42 C ATOM 792 CG1 ILE A 36 -2.983 13.215 -3.384 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.246 11.735 -2.392 1.00 0.48 C ATOM 794 CD1 ILE A 36 -2.617 13.005 -4.833 1.00 0.51 C ATOM 0 H ILE A 36 -3.229 15.068 -2.000 1.00 0.38 H new ATOM 0 HA ILE A 36 -2.931 12.743 -0.592 1.00 0.39 H new ATOM 0 HB ILE A 36 -1.029 13.833 -2.733 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -3.723 12.468 -3.098 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.458 14.190 -3.281 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -0.912 11.464 -3.394 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.403 11.687 -1.703 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -2.020 11.040 -2.067 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.513 13.077 -5.449 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -1.902 13.767 -5.142 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -2.171 12.018 -4.956 1.00 0.51 H new ATOM 806 N LYS A 37 -0.319 14.683 -0.064 1.00 0.52 N ATOM 807 CA LYS A 37 0.899 14.787 0.752 1.00 0.67 C ATOM 808 C LYS A 37 0.584 14.956 2.234 1.00 0.66 C ATOM 809 O LYS A 37 1.412 14.643 3.088 1.00 0.79 O ATOM 810 CB LYS A 37 1.776 15.953 0.294 1.00 0.91 C ATOM 811 CG LYS A 37 2.364 15.769 -1.091 1.00 0.75 C ATOM 812 CD LYS A 37 3.352 16.871 -1.438 1.00 0.94 C ATOM 813 CE LYS A 37 2.708 18.247 -1.412 1.00 0.70 C ATOM 814 NZ LYS A 37 3.620 19.292 -1.946 1.00 0.97 N ATOM 0 H LYS A 37 -0.527 15.507 -0.627 1.00 0.52 H new ATOM 0 HA LYS A 37 1.438 13.850 0.615 1.00 0.67 H new ATOM 0 HB2 LYS A 37 1.184 16.868 0.309 1.00 0.91 H new ATOM 0 HB3 LYS A 37 2.588 16.087 1.008 1.00 0.91 H new ATOM 0 HG2 LYS A 37 2.864 14.802 -1.148 1.00 0.75 H new ATOM 0 HG3 LYS A 37 1.561 15.756 -1.828 1.00 0.75 H new ATOM 0 HD2 LYS A 37 4.183 16.847 -0.733 1.00 0.94 H new ATOM 0 HD3 LYS A 37 3.768 16.685 -2.428 1.00 0.94 H new ATOM 0 HE2 LYS A 37 1.790 18.230 -2.000 1.00 0.70 H new ATOM 0 HE3 LYS A 37 2.427 18.498 -0.389 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 3.172 20.226 -1.850 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 4.513 19.279 -1.413 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 3.814 19.103 -2.950 1.00 0.97 H new ATOM 828 N LEU A 38 -0.609 15.438 2.539 1.00 0.63 N ATOM 829 CA LEU A 38 -0.974 15.728 3.920 1.00 0.70 C ATOM 830 C LEU A 38 -1.839 14.616 4.493 1.00 0.65 C ATOM 831 O LEU A 38 -2.306 14.695 5.630 1.00 0.91 O ATOM 832 CB LEU A 38 -1.704 17.076 4.029 1.00 0.82 C ATOM 833 CG LEU A 38 -0.830 18.335 3.897 1.00 1.08 C ATOM 834 CD1 LEU A 38 0.317 18.304 4.897 1.00 2.08 C ATOM 835 CD2 LEU A 38 -0.299 18.495 2.480 1.00 1.61 C ATOM 0 H LEU A 38 -1.339 15.637 1.855 1.00 0.63 H new ATOM 0 HA LEU A 38 -0.053 15.790 4.500 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -2.474 17.112 3.259 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -2.214 17.112 4.992 1.00 0.82 H new ATOM 0 HG LEU A 38 -1.458 19.198 4.119 1.00 1.08 H new ATOM 0 HD11 LEU A 38 0.922 19.204 4.785 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -0.084 18.260 5.910 1.00 2.08 H new ATOM 0 HD13 LEU A 38 0.936 17.426 4.713 1.00 2.08 H new ATOM 0 HD21 LEU A 38 0.315 19.394 2.421 1.00 1.61 H new ATOM 0 HD22 LEU A 38 0.304 17.626 2.217 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -1.135 18.580 1.786 1.00 1.61 H new ATOM 847 N ALA A 39 -2.039 13.578 3.700 1.00 0.52 N ATOM 848 CA ALA A 39 -2.847 12.451 4.107 1.00 0.53 C ATOM 849 C ALA A 39 -2.019 11.447 4.892 1.00 0.60 C ATOM 850 O ALA A 39 -1.146 10.773 4.338 1.00 1.03 O ATOM 851 CB ALA A 39 -3.479 11.790 2.891 1.00 0.55 C ATOM 0 H ALA A 39 -1.647 13.496 2.762 1.00 0.52 H new ATOM 0 HA ALA A 39 -3.642 12.815 4.758 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.085 10.943 3.211 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -4.110 12.511 2.371 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -2.696 11.442 2.218 1.00 0.55 H new ATOM 857 N GLY A 40 -2.289 11.369 6.187 1.00 0.43 N ATOM 858 CA GLY A 40 -1.664 10.362 7.017 1.00 0.46 C ATOM 859 C GLY A 40 -2.211 8.994 6.680 1.00 0.46 C ATOM 860 O GLY A 40 -3.384 8.870 6.326 1.00 0.84 O ATOM 0 H GLY A 40 -2.933 11.989 6.679 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -0.584 10.377 6.868 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -1.844 10.584 8.069 1.00 0.46 H new ATOM 864 N VAL A 41 -1.385 7.967 6.780 1.00 0.44 N ATOM 865 CA VAL A 41 -1.773 6.655 6.289 1.00 0.45 C ATOM 866 C VAL A 41 -1.502 5.554 7.312 1.00 0.36 C ATOM 867 O VAL A 41 -0.432 5.495 7.919 1.00 0.41 O ATOM 868 CB VAL A 41 -1.041 6.317 4.977 1.00 0.67 C ATOM 869 CG1 VAL A 41 -1.521 4.988 4.433 1.00 0.95 C ATOM 870 CG2 VAL A 41 -1.227 7.417 3.941 1.00 1.30 C ATOM 0 H VAL A 41 -0.453 8.013 7.191 1.00 0.44 H new ATOM 0 HA VAL A 41 -2.847 6.699 6.107 1.00 0.45 H new ATOM 0 HB VAL A 41 0.024 6.242 5.196 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -0.994 4.763 3.506 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.322 4.203 5.163 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -2.592 5.040 4.239 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -0.698 7.149 3.026 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.289 7.537 3.725 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -0.827 8.354 4.329 1.00 1.30 H new ATOM 880 N THR A 42 -2.489 4.691 7.499 1.00 0.31 N ATOM 881 CA THR A 42 -2.354 3.534 8.362 1.00 0.30 C ATOM 882 C THR A 42 -2.593 2.252 7.561 1.00 0.29 C ATOM 883 O THR A 42 -3.643 2.085 6.937 1.00 0.32 O ATOM 884 CB THR A 42 -3.356 3.608 9.531 1.00 0.35 C ATOM 885 OG1 THR A 42 -3.342 4.924 10.104 1.00 0.40 O ATOM 886 CG2 THR A 42 -3.020 2.583 10.603 1.00 0.45 C ATOM 0 H THR A 42 -3.404 4.775 7.056 1.00 0.31 H new ATOM 0 HA THR A 42 -1.342 3.525 8.767 1.00 0.30 H new ATOM 0 HB THR A 42 -4.350 3.388 9.141 1.00 0.35 H new ATOM 0 HG1 THR A 42 -3.982 4.965 10.845 1.00 0.40 H new ATOM 0 HG21 THR A 42 -3.742 2.657 11.416 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.058 1.582 10.174 1.00 0.45 H new ATOM 0 HG23 THR A 42 -2.019 2.775 10.989 1.00 0.45 H new ATOM 894 N LYS A 43 -1.609 1.363 7.567 1.00 0.31 N ATOM 895 CA LYS A 43 -1.695 0.102 6.840 1.00 0.35 C ATOM 896 C LYS A 43 -2.206 -1.003 7.749 1.00 0.33 C ATOM 897 O LYS A 43 -1.797 -1.093 8.905 1.00 0.41 O ATOM 898 CB LYS A 43 -0.319 -0.289 6.299 1.00 0.50 C ATOM 899 CG LYS A 43 0.166 0.578 5.153 1.00 0.77 C ATOM 900 CD LYS A 43 -0.611 0.287 3.884 1.00 0.53 C ATOM 901 CE LYS A 43 -0.094 1.099 2.713 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.340 2.549 2.892 1.00 0.79 N ATOM 0 H LYS A 43 -0.733 1.494 8.073 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.390 0.234 6.010 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.406 -0.238 7.111 1.00 0.50 H new ATOM 0 HB3 LYS A 43 -0.353 -1.326 5.966 1.00 0.50 H new ATOM 0 HG2 LYS A 43 0.057 1.630 5.417 1.00 0.77 H new ATOM 0 HG3 LYS A 43 1.228 0.400 4.982 1.00 0.77 H new ATOM 0 HD2 LYS A 43 -0.541 -0.775 3.650 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -1.666 0.509 4.044 1.00 0.53 H new ATOM 0 HE2 LYS A 43 0.975 0.925 2.595 1.00 0.59 H new ATOM 0 HE3 LYS A 43 -0.576 0.760 1.796 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 0.323 3.089 2.300 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -1.316 2.773 2.612 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 -0.199 2.804 3.890 1.00 0.79 H new ATOM 916 N LYS A 44 -3.100 -1.838 7.238 1.00 0.31 N ATOM 917 CA LYS A 44 -3.608 -2.963 8.008 1.00 0.35 C ATOM 918 C LYS A 44 -3.608 -4.237 7.173 1.00 0.34 C ATOM 919 O LYS A 44 -4.369 -4.364 6.215 1.00 0.47 O ATOM 920 CB LYS A 44 -5.021 -2.674 8.523 1.00 0.44 C ATOM 921 CG LYS A 44 -5.082 -1.529 9.519 1.00 0.90 C ATOM 922 CD LYS A 44 -6.489 -1.307 10.040 1.00 0.88 C ATOM 923 CE LYS A 44 -6.537 -0.138 11.011 1.00 1.39 C ATOM 924 NZ LYS A 44 -7.886 0.034 11.610 1.00 1.96 N ATOM 0 H LYS A 44 -3.487 -1.758 6.298 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.947 -3.108 8.862 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -5.667 -2.443 7.676 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -5.419 -3.574 8.992 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.414 -1.739 10.355 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.722 -0.616 9.045 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -7.163 -1.118 9.205 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -6.843 -2.211 10.537 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -5.806 -0.295 11.804 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -6.252 0.777 10.491 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -7.874 0.841 12.265 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -8.581 0.210 10.856 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -8.148 -0.829 12.128 1.00 1.96 H new ATOM 938 N PHE A 45 -2.734 -5.167 7.539 1.00 0.29 N ATOM 939 CA PHE A 45 -2.675 -6.474 6.898 1.00 0.29 C ATOM 940 C PHE A 45 -3.052 -7.551 7.908 1.00 0.30 C ATOM 941 O PHE A 45 -2.578 -7.530 9.046 1.00 0.37 O ATOM 942 CB PHE A 45 -1.273 -6.761 6.349 1.00 0.32 C ATOM 943 CG PHE A 45 -0.846 -5.900 5.192 1.00 0.36 C ATOM 944 CD1 PHE A 45 -0.494 -4.574 5.396 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.823 -6.403 3.900 1.00 0.44 C ATOM 946 CE1 PHE A 45 -0.126 -3.770 4.336 1.00 0.49 C ATOM 947 CE2 PHE A 45 -0.451 -5.603 2.836 1.00 0.52 C ATOM 948 CZ PHE A 45 -0.013 -4.331 3.053 1.00 0.54 C ATOM 0 H PHE A 45 -2.050 -5.037 8.284 1.00 0.29 H new ATOM 0 HA PHE A 45 -3.377 -6.477 6.064 1.00 0.29 H new ATOM 0 HB2 PHE A 45 -0.552 -6.638 7.157 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -1.229 -7.805 6.039 1.00 0.32 H new ATOM 0 HD1 PHE A 45 -0.508 -4.166 6.396 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -1.099 -7.432 3.723 1.00 0.44 H new ATOM 0 HE1 PHE A 45 0.073 -2.720 4.491 1.00 0.49 H new ATOM 0 HE2 PHE A 45 -0.508 -5.988 1.828 1.00 0.52 H new ATOM 0 HZ PHE A 45 0.418 -3.759 2.245 1.00 0.54 H new ATOM 958 N ARG A 46 -3.905 -8.481 7.503 1.00 0.31 N ATOM 959 CA ARG A 46 -4.349 -9.549 8.393 1.00 0.33 C ATOM 960 C ARG A 46 -4.784 -10.769 7.592 1.00 0.31 C ATOM 961 O ARG A 46 -5.068 -10.661 6.406 1.00 0.33 O ATOM 962 CB ARG A 46 -5.528 -9.072 9.249 1.00 0.39 C ATOM 963 CG ARG A 46 -6.793 -8.837 8.439 1.00 0.50 C ATOM 964 CD ARG A 46 -7.986 -8.520 9.321 1.00 0.64 C ATOM 965 NE ARG A 46 -9.226 -8.441 8.547 1.00 1.51 N ATOM 966 CZ ARG A 46 -10.268 -7.686 8.887 1.00 2.03 C ATOM 967 NH1 ARG A 46 -10.229 -6.950 9.991 1.00 1.85 N ATOM 968 NH2 ARG A 46 -11.352 -7.665 8.120 1.00 3.17 N ATOM 0 H ARG A 46 -4.304 -8.519 6.565 1.00 0.31 H new ATOM 0 HA ARG A 46 -3.512 -9.819 9.037 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.731 -9.812 10.023 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -5.251 -8.148 9.756 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -6.629 -8.015 7.743 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -7.010 -9.722 7.841 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -8.085 -9.287 10.089 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -7.817 -7.574 9.835 1.00 0.64 H new ATOM 0 HE ARG A 46 -9.296 -8.998 7.696 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -9.398 -6.962 10.583 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -11.030 -6.373 10.248 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -11.386 -8.228 7.270 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -12.150 -7.086 8.381 1.00 3.17 H new ATOM 982 N ASN A 47 -4.830 -11.921 8.246 1.00 0.33 N ATOM 983 CA ASN A 47 -5.402 -13.126 7.640 1.00 0.37 C ATOM 984 C ASN A 47 -6.872 -12.870 7.337 1.00 0.39 C ATOM 985 O ASN A 47 -7.581 -12.315 8.177 1.00 0.54 O ATOM 986 CB ASN A 47 -5.265 -14.333 8.572 1.00 0.50 C ATOM 987 CG ASN A 47 -3.836 -14.829 8.690 1.00 0.92 C ATOM 988 OD1 ASN A 47 -3.388 -15.664 7.904 1.00 1.85 O ATOM 989 ND2 ASN A 47 -3.114 -14.330 9.678 1.00 1.44 N ATOM 0 H ASN A 47 -4.480 -12.052 9.195 1.00 0.33 H new ATOM 0 HA ASN A 47 -4.860 -13.352 6.721 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -5.634 -14.065 9.562 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -5.896 -15.142 8.205 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -2.150 -14.635 9.810 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -3.521 -13.639 10.309 1.00 1.44 H new ATOM 996 N ALA A 48 -7.339 -13.255 6.150 1.00 0.36 N ATOM 997 CA ALA A 48 -8.687 -12.890 5.723 1.00 0.41 C ATOM 998 C ALA A 48 -9.752 -13.645 6.494 1.00 0.64 C ATOM 999 O ALA A 48 -9.767 -14.879 6.531 1.00 0.87 O ATOM 1000 CB ALA A 48 -8.865 -13.115 4.229 1.00 0.49 C ATOM 0 H ALA A 48 -6.812 -13.811 5.476 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.810 -11.828 5.938 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -9.877 -12.835 3.937 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.148 -12.504 3.681 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -8.698 -14.167 3.997 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.650 -12.880 7.087 1.00 0.83 N ATOM 1007 CA ALA A 49 -11.758 -13.415 7.864 1.00 1.18 C ATOM 1008 C ALA A 49 -12.774 -14.150 6.993 1.00 1.17 C ATOM 1009 O ALA A 49 -13.735 -14.730 7.503 1.00 1.46 O ATOM 1010 CB ALA A 49 -12.430 -12.286 8.603 1.00 1.48 C ATOM 0 H ALA A 49 -10.633 -11.861 7.044 1.00 0.83 H new ATOM 0 HA ALA A 49 -11.357 -14.144 8.568 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -13.262 -12.678 9.188 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -11.711 -11.808 9.269 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -12.803 -11.554 7.887 1.00 1.48 H new ATOM 1016 N SER A 50 -12.574 -14.070 5.681 1.00 1.12 N ATOM 1017 CA SER A 50 -13.364 -14.832 4.709 1.00 1.50 C ATOM 1018 C SER A 50 -13.557 -16.288 5.146 1.00 1.66 C ATOM 1019 O SER A 50 -14.535 -16.935 4.769 1.00 2.19 O ATOM 1020 CB SER A 50 -12.695 -14.788 3.335 1.00 1.77 C ATOM 1021 OG SER A 50 -11.362 -15.274 3.387 1.00 2.37 O ATOM 0 H SER A 50 -11.861 -13.476 5.258 1.00 1.12 H new ATOM 0 HA SER A 50 -14.348 -14.367 4.652 1.00 1.50 H new ATOM 0 HB2 SER A 50 -13.273 -15.384 2.629 1.00 1.77 H new ATOM 0 HB3 SER A 50 -12.695 -13.764 2.962 1.00 1.77 H new ATOM 0 HG SER A 50 -10.787 -14.714 2.824 1.00 2.37 H new ATOM 1027 N GLY A 51 -12.622 -16.796 5.940 1.00 1.42 N ATOM 1028 CA GLY A 51 -12.740 -18.145 6.463 1.00 1.68 C ATOM 1029 C GLY A 51 -11.956 -19.143 5.645 1.00 1.70 C ATOM 1030 O GLY A 51 -11.991 -20.345 5.910 1.00 1.91 O ATOM 0 H GLY A 51 -11.782 -16.297 6.232 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -12.387 -18.166 7.494 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -13.790 -18.436 6.480 1.00 1.68 H new ATOM 1034 N LYS A 52 -11.250 -18.644 4.649 1.00 1.54 N ATOM 1035 CA LYS A 52 -10.421 -19.484 3.802 1.00 1.60 C ATOM 1036 C LYS A 52 -8.988 -19.471 4.330 1.00 1.44 C ATOM 1037 O LYS A 52 -8.703 -18.783 5.307 1.00 1.37 O ATOM 1038 CB LYS A 52 -10.480 -18.956 2.367 1.00 1.62 C ATOM 1039 CG LYS A 52 -11.844 -19.099 1.709 1.00 1.92 C ATOM 1040 CD LYS A 52 -11.848 -18.521 0.301 1.00 1.94 C ATOM 1041 CE LYS A 52 -11.599 -17.022 0.311 1.00 2.59 C ATOM 1042 NZ LYS A 52 -11.497 -16.458 -1.060 1.00 3.17 N ATOM 0 H LYS A 52 -11.233 -17.654 4.404 1.00 1.54 H new ATOM 0 HA LYS A 52 -10.784 -20.512 3.812 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -10.197 -17.903 2.366 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -9.741 -19.485 1.766 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -12.122 -20.152 1.672 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -12.596 -18.592 2.314 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -11.082 -19.014 -0.297 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -12.806 -18.728 -0.175 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -12.408 -16.525 0.847 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -10.679 -16.812 0.857 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -11.582 -15.422 -1.017 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -10.577 -16.713 -1.473 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -12.260 -16.844 -1.652 1.00 3.17 H new ATOM 1056 N PRO A 53 -8.079 -20.270 3.748 1.00 1.49 N ATOM 1057 CA PRO A 53 -6.657 -20.203 4.053 1.00 1.40 C ATOM 1058 C PRO A 53 -5.867 -19.411 3.001 1.00 1.15 C ATOM 1059 O PRO A 53 -6.338 -19.221 1.874 1.00 1.15 O ATOM 1060 CB PRO A 53 -6.263 -21.673 4.028 1.00 1.68 C ATOM 1061 CG PRO A 53 -7.203 -22.320 3.054 1.00 1.84 C ATOM 1062 CD PRO A 53 -8.353 -21.366 2.816 1.00 1.76 C ATOM 0 HA PRO A 53 -6.447 -19.691 4.992 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -5.226 -21.797 3.715 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -6.353 -22.121 5.018 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -6.690 -22.541 2.118 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -7.569 -23.268 3.449 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -8.380 -21.019 1.783 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -9.315 -21.836 3.020 1.00 1.76 H new ATOM 1070 N ASP A 54 -4.693 -18.904 3.400 1.00 1.04 N ATOM 1071 CA ASP A 54 -3.734 -18.239 2.498 1.00 0.90 C ATOM 1072 C ASP A 54 -4.125 -16.795 2.185 1.00 0.68 C ATOM 1073 O ASP A 54 -3.265 -15.934 2.059 1.00 0.97 O ATOM 1074 CB ASP A 54 -3.514 -19.025 1.199 1.00 1.06 C ATOM 1075 CG ASP A 54 -2.748 -20.314 1.421 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -3.349 -21.404 1.296 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -1.540 -20.244 1.732 1.00 1.60 O ATOM 0 H ASP A 54 -4.376 -18.943 4.369 1.00 1.04 H new ATOM 0 HA ASP A 54 -2.790 -18.216 3.043 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -4.480 -19.254 0.749 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -2.971 -18.401 0.489 1.00 1.06 H new ATOM 1082 N ARG A 55 -5.419 -16.546 2.021 1.00 0.63 N ATOM 1083 CA ARG A 55 -5.944 -15.195 1.811 1.00 0.47 C ATOM 1084 C ARG A 55 -5.576 -14.210 2.921 1.00 0.41 C ATOM 1085 O ARG A 55 -5.303 -14.590 4.058 1.00 0.51 O ATOM 1086 CB ARG A 55 -7.463 -15.249 1.665 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.147 -16.377 2.438 1.00 1.24 C ATOM 1088 CD ARG A 55 -8.093 -16.224 3.963 1.00 1.87 C ATOM 1089 NE ARG A 55 -6.811 -16.623 4.548 1.00 2.57 N ATOM 1090 CZ ARG A 55 -6.586 -16.740 5.864 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -7.561 -16.512 6.737 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -5.380 -17.066 6.308 1.00 4.10 N ATOM 0 H ARG A 55 -6.136 -17.271 2.029 1.00 0.63 H new ATOM 0 HA ARG A 55 -5.477 -14.825 0.898 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -7.879 -14.298 1.997 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -7.708 -15.353 0.608 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -9.190 -16.433 2.127 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -7.681 -17.324 2.163 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -8.293 -15.185 4.223 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -8.888 -16.823 4.408 1.00 1.87 H new ATOM 0 HE ARG A 55 -6.039 -16.825 3.912 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -8.489 -16.246 6.407 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -7.382 -16.603 7.737 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -4.620 -17.229 5.647 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -5.212 -17.154 7.310 1.00 4.10 H new ATOM 1106 N TYR A 56 -5.572 -12.937 2.579 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.337 -11.885 3.555 1.00 0.32 C ATOM 1108 C TYR A 56 -6.208 -10.671 3.259 1.00 0.33 C ATOM 1109 O TYR A 56 -6.637 -10.462 2.125 1.00 0.41 O ATOM 1110 CB TYR A 56 -3.852 -11.486 3.566 1.00 0.34 C ATOM 1111 CG TYR A 56 -2.958 -12.508 4.236 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.358 -13.528 3.511 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.733 -12.465 5.603 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -1.564 -14.475 4.130 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -1.937 -13.402 6.229 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.358 -14.407 5.490 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.577 -15.350 6.118 1.00 0.97 O ATOM 0 H TYR A 56 -5.729 -12.602 1.628 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.604 -12.267 4.540 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -3.516 -11.338 2.540 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -3.744 -10.530 4.078 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -2.514 -13.583 2.444 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -3.190 -11.682 6.190 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.108 -15.264 3.550 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.769 -13.347 7.294 1.00 0.69 H new ATOM 0 HH TYR A 56 -1.102 -16.164 6.265 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.491 -9.901 4.299 1.00 0.32 N ATOM 1128 CA ASP A 57 -7.193 -8.633 4.165 1.00 0.34 C ATOM 1129 C ASP A 57 -6.192 -7.503 4.273 1.00 0.29 C ATOM 1130 O ASP A 57 -5.203 -7.612 5.002 1.00 0.32 O ATOM 1131 CB ASP A 57 -8.253 -8.446 5.257 1.00 0.43 C ATOM 1132 CG ASP A 57 -9.479 -9.315 5.087 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -9.794 -10.099 6.010 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -10.159 -9.194 4.049 1.00 0.99 O ATOM 0 H ASP A 57 -6.241 -10.137 5.259 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.693 -8.630 3.197 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -7.802 -8.660 6.226 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -8.562 -7.401 5.273 1.00 0.43 H new ATOM 1139 N MET A 58 -6.440 -6.419 3.556 1.00 0.27 N ATOM 1140 CA MET A 58 -5.576 -5.254 3.633 1.00 0.26 C ATOM 1141 C MET A 58 -6.369 -3.984 3.380 1.00 0.27 C ATOM 1142 O MET A 58 -7.000 -3.833 2.337 1.00 0.33 O ATOM 1143 CB MET A 58 -4.422 -5.375 2.631 1.00 0.30 C ATOM 1144 CG MET A 58 -3.465 -4.194 2.632 1.00 0.51 C ATOM 1145 SD MET A 58 -4.057 -2.799 1.657 1.00 0.98 S ATOM 1146 CE MET A 58 -2.764 -1.612 1.980 1.00 0.36 C ATOM 0 H MET A 58 -7.229 -6.322 2.917 1.00 0.27 H new ATOM 0 HA MET A 58 -5.157 -5.203 4.638 1.00 0.26 H new ATOM 0 HB2 MET A 58 -3.860 -6.283 2.850 1.00 0.30 H new ATOM 0 HB3 MET A 58 -4.837 -5.491 1.630 1.00 0.30 H new ATOM 0 HG2 MET A 58 -3.302 -3.868 3.659 1.00 0.51 H new ATOM 0 HG3 MET A 58 -2.499 -4.517 2.243 1.00 0.51 H new ATOM 0 HE1 MET A 58 -2.838 -0.790 1.268 1.00 0.36 H new ATOM 0 HE2 MET A 58 -2.870 -1.225 2.993 1.00 0.36 H new ATOM 0 HE3 MET A 58 -1.792 -2.095 1.876 1.00 0.36 H new ATOM 1156 N GLU A 59 -6.356 -3.085 4.344 1.00 0.29 N ATOM 1157 CA GLU A 59 -7.001 -1.800 4.162 1.00 0.32 C ATOM 1158 C GLU A 59 -6.005 -0.660 4.291 1.00 0.31 C ATOM 1159 O GLU A 59 -4.987 -0.767 4.984 1.00 0.31 O ATOM 1160 CB GLU A 59 -8.183 -1.615 5.119 1.00 0.46 C ATOM 1161 CG GLU A 59 -7.827 -1.654 6.592 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.020 -1.342 7.471 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -9.914 -2.206 7.595 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -9.078 -0.232 8.039 1.00 1.11 O ATOM 0 H GLU A 59 -5.911 -3.218 5.252 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.401 -1.781 3.148 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -8.661 -0.660 4.901 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -8.919 -2.393 4.918 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -7.438 -2.640 6.845 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -7.031 -0.936 6.792 1.00 1.03 H new ATOM 1171 N ASN A 60 -6.310 0.422 3.592 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.456 1.593 3.549 1.00 0.42 C ATOM 1173 C ASN A 60 -6.217 2.780 4.112 1.00 0.46 C ATOM 1174 O ASN A 60 -6.918 3.482 3.373 1.00 0.60 O ATOM 1175 CB ASN A 60 -5.054 1.896 2.104 1.00 0.44 C ATOM 1176 CG ASN A 60 -3.638 2.399 1.967 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -3.061 2.943 2.903 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -3.071 2.226 0.783 1.00 1.02 N ATOM 0 H ASN A 60 -7.161 0.511 3.037 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.559 1.406 4.139 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -5.170 0.992 1.506 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -5.737 2.640 1.693 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -2.118 2.551 0.622 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -3.588 1.768 0.032 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.115 2.989 5.411 1.00 0.38 N ATOM 1186 CA LEU A 61 -6.819 4.081 6.055 1.00 0.39 C ATOM 1187 C LEU A 61 -5.991 5.352 5.979 1.00 0.39 C ATOM 1188 O LEU A 61 -4.842 5.380 6.413 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.119 3.738 7.516 1.00 0.42 C ATOM 1190 CG LEU A 61 -7.749 4.871 8.330 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -9.117 5.240 7.776 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -7.851 4.478 9.793 1.00 1.66 C ATOM 0 H LEU A 61 -5.552 2.417 6.040 1.00 0.38 H new ATOM 0 HA LEU A 61 -7.763 4.240 5.534 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -7.787 2.877 7.542 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -6.191 3.435 8.001 1.00 0.42 H new ATOM 0 HG LEU A 61 -7.106 5.748 8.252 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -9.545 6.047 8.371 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -9.014 5.567 6.741 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -9.773 4.371 7.819 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -8.301 5.294 10.358 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -8.470 3.586 9.888 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -6.855 4.271 10.185 1.00 1.66 H new ATOM 1204 N THR A 62 -6.569 6.401 5.429 1.00 0.34 N ATOM 1205 CA THR A 62 -5.887 7.659 5.319 1.00 0.35 C ATOM 1206 C THR A 62 -6.761 8.741 5.933 1.00 0.37 C ATOM 1207 O THR A 62 -7.732 8.429 6.627 1.00 0.43 O ATOM 1208 CB THR A 62 -5.541 8.006 3.851 1.00 0.36 C ATOM 1209 OG1 THR A 62 -6.719 8.377 3.131 1.00 0.34 O ATOM 1210 CG2 THR A 62 -4.887 6.820 3.149 1.00 0.45 C ATOM 0 H THR A 62 -7.516 6.399 5.051 1.00 0.34 H new ATOM 0 HA THR A 62 -4.940 7.591 5.855 1.00 0.35 H new ATOM 0 HB THR A 62 -4.843 8.843 3.868 1.00 0.36 H new ATOM 0 HG1 THR A 62 -6.516 9.131 2.538 1.00 0.34 H new ATOM 0 HG21 THR A 62 -4.654 7.090 2.119 1.00 0.45 H new ATOM 0 HG22 THR A 62 -3.968 6.550 3.670 1.00 0.45 H new ATOM 0 HG23 THR A 62 -5.571 5.971 3.156 1.00 0.45 H new ATOM 1218 N THR A 63 -6.446 9.991 5.690 1.00 0.42 N ATOM 1219 CA THR A 63 -7.206 11.072 6.283 1.00 0.46 C ATOM 1220 C THR A 63 -8.396 11.453 5.412 1.00 0.46 C ATOM 1221 O THR A 63 -9.485 11.735 5.913 1.00 0.54 O ATOM 1222 CB THR A 63 -6.298 12.285 6.505 1.00 0.50 C ATOM 1223 OG1 THR A 63 -5.767 12.737 5.252 1.00 0.52 O ATOM 1224 CG2 THR A 63 -5.156 11.905 7.425 1.00 0.50 C ATOM 0 H THR A 63 -5.675 10.286 5.091 1.00 0.42 H new ATOM 0 HA THR A 63 -7.592 10.732 7.244 1.00 0.46 H new ATOM 0 HB THR A 63 -6.883 13.086 6.958 1.00 0.50 H new ATOM 0 HG1 THR A 63 -5.613 13.704 5.292 1.00 0.52 H new ATOM 0 HG21 THR A 63 -4.511 12.770 7.581 1.00 0.50 H new ATOM 0 HG22 THR A 63 -5.556 11.573 8.383 1.00 0.50 H new ATOM 0 HG23 THR A 63 -4.578 11.099 6.974 1.00 0.50 H new ATOM 1232 N LYS A 64 -8.192 11.425 4.105 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.215 11.858 3.166 1.00 0.50 C ATOM 1234 C LYS A 64 -9.847 10.670 2.452 1.00 0.49 C ATOM 1235 O LYS A 64 -10.931 10.779 1.882 1.00 0.60 O ATOM 1236 CB LYS A 64 -8.610 12.819 2.144 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.033 14.084 2.764 1.00 0.83 C ATOM 1238 CD LYS A 64 -9.110 14.923 3.431 1.00 0.88 C ATOM 1239 CE LYS A 64 -8.537 16.192 4.043 1.00 1.64 C ATOM 1240 NZ LYS A 64 -7.957 17.098 3.016 1.00 2.24 N ATOM 0 H LYS A 64 -7.326 11.107 3.669 1.00 0.46 H new ATOM 0 HA LYS A 64 -9.996 12.370 3.728 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -7.823 12.303 1.594 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -9.376 13.096 1.420 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -7.273 13.816 3.498 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -7.537 14.674 1.993 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -9.873 15.185 2.698 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -9.601 14.335 4.206 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -9.322 16.717 4.587 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -7.768 15.928 4.769 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -7.765 18.027 3.442 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -7.070 16.692 2.656 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -8.630 17.209 2.231 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.174 9.532 2.496 1.00 0.49 N ATOM 1255 CA LYS A 65 -9.648 8.345 1.808 1.00 0.49 C ATOM 1256 C LYS A 65 -9.768 7.172 2.767 1.00 0.52 C ATOM 1257 O LYS A 65 -9.764 7.349 3.985 1.00 1.09 O ATOM 1258 CB LYS A 65 -8.719 7.997 0.635 1.00 0.73 C ATOM 1259 CG LYS A 65 -8.929 8.865 -0.594 1.00 1.18 C ATOM 1260 CD LYS A 65 -10.341 8.726 -1.155 1.00 1.22 C ATOM 1261 CE LYS A 65 -10.672 7.287 -1.535 1.00 1.36 C ATOM 1262 NZ LYS A 65 -12.042 7.170 -2.104 1.00 1.82 N ATOM 0 H LYS A 65 -8.297 9.406 3.002 1.00 0.49 H new ATOM 0 HA LYS A 65 -10.641 8.555 1.410 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -7.684 8.093 0.963 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -8.871 6.953 0.361 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -8.741 9.908 -0.338 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -8.205 8.590 -1.361 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -11.060 9.079 -0.416 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -10.446 9.365 -2.032 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -9.944 6.926 -2.261 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -10.588 6.649 -0.655 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -12.257 6.169 -2.288 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -12.733 7.554 -1.428 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -12.095 7.704 -2.995 1.00 1.82 H new ATOM 1276 N ASP A 66 -9.800 5.982 2.188 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.140 4.751 2.891 1.00 0.39 C ATOM 1278 C ASP A 66 -10.447 3.671 1.871 1.00 0.43 C ATOM 1279 O ASP A 66 -11.345 3.811 1.040 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.325 4.919 3.862 1.00 0.57 C ATOM 1281 CG ASP A 66 -12.631 5.316 3.195 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -13.476 4.427 2.948 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -12.804 6.513 2.882 1.00 2.12 O ATOM 0 H ASP A 66 -9.587 5.840 1.201 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.282 4.470 3.501 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.475 3.982 4.398 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -11.066 5.674 4.605 1.00 0.57 H new ATOM 1288 N THR A 67 -9.659 2.620 1.906 1.00 0.35 N ATOM 1289 CA THR A 67 -9.835 1.500 1.000 1.00 0.32 C ATOM 1290 C THR A 67 -9.707 0.210 1.784 1.00 0.26 C ATOM 1291 O THR A 67 -9.012 0.175 2.798 1.00 0.30 O ATOM 1292 CB THR A 67 -8.801 1.526 -0.144 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.474 1.492 0.391 1.00 0.38 O ATOM 1294 CG2 THR A 67 -8.962 2.775 -0.994 1.00 0.56 C ATOM 0 H THR A 67 -8.882 2.514 2.558 1.00 0.35 H new ATOM 0 HA THR A 67 -10.824 1.571 0.548 1.00 0.32 H new ATOM 0 HB THR A 67 -8.970 0.649 -0.768 1.00 0.38 H new ATOM 0 HG1 THR A 67 -6.825 1.507 -0.343 1.00 0.38 H new ATOM 0 HG21 THR A 67 -8.221 2.769 -1.793 1.00 0.56 H new ATOM 0 HG22 THR A 67 -9.962 2.794 -1.426 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.818 3.659 -0.373 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.365 -0.841 1.334 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.437 -2.064 2.109 1.00 0.23 C ATOM 1304 C HIS A 68 -10.465 -3.286 1.196 1.00 0.22 C ATOM 1305 O HIS A 68 -11.524 -3.712 0.744 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.683 -2.013 3.002 1.00 0.32 C ATOM 1307 CG HIS A 68 -11.888 -3.213 3.872 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -13.115 -3.556 4.385 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -11.019 -4.145 4.327 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -12.995 -4.644 5.117 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -11.733 -5.023 5.101 1.00 1.95 N ATOM 0 H HIS A 68 -10.855 -0.873 0.440 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.549 -2.150 2.735 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -11.620 -1.129 3.637 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.561 -1.888 2.368 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -9.960 -4.189 4.119 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -13.796 -5.142 5.642 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -11.350 -5.836 5.585 1.00 1.95 H new ATOM 1320 N HIS A 69 -9.295 -3.851 0.948 1.00 0.23 N ATOM 1321 CA HIS A 69 -9.180 -5.035 0.105 1.00 0.26 C ATOM 1322 C HIS A 69 -9.623 -6.273 0.878 1.00 0.29 C ATOM 1323 O HIS A 69 -8.810 -6.929 1.530 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.737 -5.234 -0.375 1.00 0.32 C ATOM 1325 CG HIS A 69 -7.176 -4.109 -1.195 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.921 -3.360 -2.072 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.913 -3.637 -1.289 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -7.145 -2.483 -2.673 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.913 -2.627 -2.220 1.00 0.39 N ATOM 0 H HIS A 69 -8.408 -3.510 1.318 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.823 -4.890 -0.763 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -7.098 -5.381 0.496 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.690 -6.150 -0.964 1.00 0.32 H new ATOM 0 HD1 HIS A 69 -8.923 -3.467 -2.233 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -5.058 -3.990 -0.732 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -7.463 -1.765 -3.414 1.00 0.37 H new ATOM 0 HE2 HIS A 69 -5.101 -2.082 -2.511 1.00 0.39 H new ATOM 1338 N LYS A 70 -10.918 -6.560 0.839 1.00 0.31 N ATOM 1339 CA LYS A 70 -11.463 -7.755 1.474 1.00 0.37 C ATOM 1340 C LYS A 70 -11.047 -9.027 0.746 1.00 0.31 C ATOM 1341 O LYS A 70 -11.432 -9.239 -0.407 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.984 -7.675 1.515 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.502 -6.668 2.518 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.688 -5.888 1.986 1.00 1.00 C ATOM 1345 CE LYS A 70 -14.256 -4.874 0.948 1.00 1.43 C ATOM 1346 NZ LYS A 70 -15.399 -4.071 0.433 1.00 2.30 N ATOM 0 H LYS A 70 -11.614 -5.979 0.372 1.00 0.31 H new ATOM 0 HA LYS A 70 -11.061 -7.797 2.486 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -13.354 -7.414 0.524 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -13.387 -8.659 1.757 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -13.790 -7.185 3.433 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -12.702 -5.976 2.781 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.411 -6.575 1.548 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -15.190 -5.379 2.809 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -13.512 -4.206 1.383 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -13.774 -5.390 0.118 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -15.055 -3.391 -0.274 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -16.098 -4.704 -0.006 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -15.844 -3.557 1.220 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.253 -9.848 1.425 1.00 0.33 N ATOM 1361 CA ASP A 71 -9.935 -11.205 0.974 1.00 0.37 C ATOM 1362 C ASP A 71 -9.220 -11.212 -0.376 1.00 0.33 C ATOM 1363 O ASP A 71 -9.842 -11.375 -1.427 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.220 -12.042 0.902 1.00 0.51 C ATOM 1365 CG ASP A 71 -10.984 -13.458 0.411 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -10.418 -14.269 1.171 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -11.394 -13.778 -0.727 1.00 2.07 O ATOM 0 H ASP A 71 -9.809 -9.593 2.307 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.251 -11.644 1.700 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -11.678 -12.079 1.890 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -11.931 -11.548 0.239 1.00 0.51 H new ATOM 1372 N TRP A 72 -7.912 -11.026 -0.349 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.109 -11.096 -1.560 1.00 0.30 C ATOM 1374 C TRP A 72 -5.931 -12.037 -1.366 1.00 0.31 C ATOM 1375 O TRP A 72 -5.550 -12.346 -0.233 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.600 -9.704 -1.948 1.00 0.30 C ATOM 1377 CG TRP A 72 -5.753 -9.059 -0.891 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.184 -8.250 0.117 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.332 -9.167 -0.734 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.123 -7.858 0.894 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -3.976 -8.407 0.389 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.324 -9.836 -1.431 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -2.658 -8.300 0.824 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.022 -9.718 -0.984 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -1.704 -8.959 0.128 1.00 0.43 C ATOM 0 H TRP A 72 -7.382 -10.825 0.499 1.00 0.29 H new ATOM 0 HA TRP A 72 -7.739 -11.479 -2.362 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -6.021 -9.781 -2.869 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.453 -9.060 -2.161 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.211 -7.959 0.281 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.180 -7.255 1.715 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.557 -10.433 -2.301 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.405 -7.708 1.691 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.234 -10.231 -1.515 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -0.674 -8.891 0.446 1.00 0.43 H new ATOM 1396 N ALA A 73 -5.374 -12.509 -2.471 1.00 0.41 N ATOM 1397 CA ALA A 73 -4.154 -13.292 -2.437 1.00 0.50 C ATOM 1398 C ALA A 73 -3.111 -12.658 -3.345 1.00 0.48 C ATOM 1399 O ALA A 73 -3.451 -11.975 -4.309 1.00 0.42 O ATOM 1400 CB ALA A 73 -4.445 -14.717 -2.880 1.00 0.55 C ATOM 0 H ALA A 73 -5.752 -12.361 -3.407 1.00 0.41 H new ATOM 0 HA ALA A 73 -3.766 -13.314 -1.419 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -3.525 -15.301 -2.853 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -5.179 -15.164 -2.209 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -4.840 -14.709 -3.896 1.00 0.55 H new ATOM 1406 N LEU A 74 -1.841 -12.834 -3.021 1.00 0.60 N ATOM 1407 CA LEU A 74 -0.793 -12.399 -3.928 1.00 0.67 C ATOM 1408 C LEU A 74 -0.839 -13.224 -5.216 1.00 0.57 C ATOM 1409 O LEU A 74 -1.190 -14.407 -5.211 1.00 0.56 O ATOM 1410 CB LEU A 74 0.618 -12.409 -3.285 1.00 0.95 C ATOM 1411 CG LEU A 74 0.980 -13.555 -2.318 1.00 0.68 C ATOM 1412 CD1 LEU A 74 0.458 -13.283 -0.912 1.00 1.28 C ATOM 1413 CD2 LEU A 74 0.470 -14.888 -2.829 1.00 1.71 C ATOM 0 H LEU A 74 -1.515 -13.265 -2.156 1.00 0.60 H new ATOM 0 HA LEU A 74 -0.989 -11.355 -4.172 1.00 0.67 H new ATOM 0 HB2 LEU A 74 1.350 -12.414 -4.093 1.00 0.95 H new ATOM 0 HB3 LEU A 74 0.743 -11.470 -2.747 1.00 0.95 H new ATOM 0 HG LEU A 74 2.068 -13.605 -2.269 1.00 0.68 H new ATOM 0 HD11 LEU A 74 0.730 -14.110 -0.256 1.00 1.28 H new ATOM 0 HD12 LEU A 74 0.897 -12.360 -0.533 1.00 1.28 H new ATOM 0 HD13 LEU A 74 -0.627 -13.184 -0.940 1.00 1.28 H new ATOM 0 HD21 LEU A 74 0.741 -15.675 -2.125 1.00 1.71 H new ATOM 0 HD22 LEU A 74 -0.615 -14.848 -2.929 1.00 1.71 H new ATOM 0 HD23 LEU A 74 0.916 -15.100 -3.800 1.00 1.71 H new ATOM 1425 N GLY A 75 -0.510 -12.576 -6.314 1.00 0.58 N ATOM 1426 CA GLY A 75 -0.683 -13.173 -7.619 1.00 0.56 C ATOM 1427 C GLY A 75 -2.125 -13.097 -8.094 1.00 0.51 C ATOM 1428 O GLY A 75 -2.442 -13.517 -9.208 1.00 0.59 O ATOM 0 H GLY A 75 -0.120 -11.633 -6.327 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.038 -12.667 -8.337 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -0.367 -14.216 -7.585 1.00 0.56 H new ATOM 1432 N GLU A 76 -2.999 -12.542 -7.256 1.00 0.42 N ATOM 1433 CA GLU A 76 -4.421 -12.484 -7.562 1.00 0.40 C ATOM 1434 C GLU A 76 -4.824 -11.101 -8.065 1.00 0.36 C ATOM 1435 O GLU A 76 -4.247 -10.083 -7.672 1.00 0.47 O ATOM 1436 CB GLU A 76 -5.254 -12.889 -6.339 1.00 0.44 C ATOM 1437 CG GLU A 76 -6.754 -12.841 -6.565 1.00 0.92 C ATOM 1438 CD GLU A 76 -7.537 -13.495 -5.448 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -7.639 -12.890 -4.360 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -8.050 -14.615 -5.647 1.00 1.59 O ATOM 0 H GLU A 76 -2.744 -12.127 -6.360 1.00 0.42 H new ATOM 0 HA GLU A 76 -4.622 -13.196 -8.363 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -4.975 -13.900 -6.042 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -5.002 -12.231 -5.507 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -7.069 -11.802 -6.663 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -6.991 -13.336 -7.507 1.00 0.92 H new ATOM 1447 N GLU A 77 -5.813 -11.093 -8.941 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.329 -9.879 -9.550 1.00 0.43 C ATOM 1449 C GLU A 77 -7.824 -9.765 -9.261 1.00 0.44 C ATOM 1450 O GLU A 77 -8.603 -10.644 -9.632 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.076 -9.931 -11.060 1.00 0.53 C ATOM 1452 CG GLU A 77 -6.799 -8.861 -11.858 1.00 0.74 C ATOM 1453 CD GLU A 77 -6.682 -9.089 -13.349 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -5.963 -8.321 -14.019 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -7.306 -10.046 -13.861 1.00 0.90 O ATOM 0 H GLU A 77 -6.287 -11.940 -9.254 1.00 0.39 H new ATOM 0 HA GLU A 77 -5.825 -9.006 -9.136 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -5.005 -9.838 -11.239 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -6.378 -10.910 -11.432 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.852 -8.847 -11.575 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -6.389 -7.883 -11.608 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.216 -8.697 -8.587 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.598 -8.518 -8.161 1.00 0.41 C ATOM 1464 C PHE A 78 -10.045 -7.079 -8.384 1.00 0.42 C ATOM 1465 O PHE A 78 -9.220 -6.193 -8.579 1.00 0.42 O ATOM 1466 CB PHE A 78 -9.733 -8.885 -6.679 1.00 0.44 C ATOM 1467 CG PHE A 78 -8.814 -8.110 -5.772 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.513 -8.536 -5.555 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -9.253 -6.960 -5.133 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -6.668 -7.830 -4.722 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -8.412 -6.250 -4.298 1.00 0.57 C ATOM 1472 CZ PHE A 78 -7.118 -6.686 -4.093 1.00 0.52 C ATOM 0 H PHE A 78 -7.593 -7.934 -8.320 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.235 -9.173 -8.755 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -10.763 -8.717 -6.366 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.533 -9.950 -6.559 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.156 -9.431 -6.043 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -10.264 -6.615 -5.290 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -5.656 -8.172 -4.563 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -8.766 -5.356 -3.807 1.00 0.57 H new ATOM 0 HZ PHE A 78 -6.458 -6.133 -3.441 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.351 -6.858 -8.376 1.00 0.46 N ATOM 1483 CA GLN A 79 -11.898 -5.514 -8.493 1.00 0.51 C ATOM 1484 C GLN A 79 -12.174 -4.936 -7.107 1.00 0.50 C ATOM 1485 O GLN A 79 -12.639 -5.649 -6.215 1.00 0.54 O ATOM 1486 CB GLN A 79 -13.181 -5.532 -9.326 1.00 0.62 C ATOM 1487 CG GLN A 79 -13.794 -4.158 -9.539 1.00 1.00 C ATOM 1488 CD GLN A 79 -15.110 -4.221 -10.283 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -16.172 -4.344 -9.674 1.00 1.95 O ATOM 1490 NE2 GLN A 79 -15.053 -4.135 -11.601 1.00 1.94 N ATOM 0 H GLN A 79 -12.053 -7.593 -8.290 1.00 0.46 H new ATOM 0 HA GLN A 79 -11.167 -4.882 -8.997 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -12.966 -5.978 -10.297 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -13.913 -6.174 -8.835 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -13.949 -3.679 -8.572 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -13.095 -3.534 -10.096 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -14.151 -4.034 -12.067 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -15.911 -4.170 -12.152 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.902 -3.645 -6.942 1.00 0.49 N ATOM 1500 CA ASP A 80 -12.060 -2.977 -5.647 1.00 0.49 C ATOM 1501 C ASP A 80 -11.847 -1.474 -5.817 1.00 0.52 C ATOM 1502 O ASP A 80 -11.441 -1.021 -6.891 1.00 0.63 O ATOM 1503 CB ASP A 80 -11.056 -3.545 -4.633 1.00 0.63 C ATOM 1504 CG ASP A 80 -11.340 -3.118 -3.203 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -10.441 -3.252 -2.354 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -12.460 -2.639 -2.924 1.00 1.26 O ATOM 0 H ASP A 80 -11.570 -3.036 -7.690 1.00 0.49 H new ATOM 0 HA ASP A 80 -13.068 -3.154 -5.273 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -11.070 -4.633 -4.689 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -10.051 -3.224 -4.908 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.099 -0.703 -4.765 1.00 0.53 N ATOM 1512 CA GLU A 81 -11.921 0.738 -4.821 1.00 0.65 C ATOM 1513 C GLU A 81 -10.584 1.113 -4.232 1.00 0.63 C ATOM 1514 O GLU A 81 -10.277 0.786 -3.085 1.00 0.82 O ATOM 1515 CB GLU A 81 -13.025 1.490 -4.074 1.00 0.81 C ATOM 1516 CG GLU A 81 -12.839 3.002 -4.128 1.00 1.64 C ATOM 1517 CD GLU A 81 -13.831 3.766 -3.279 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -15.051 3.598 -3.484 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -13.395 4.558 -2.415 1.00 1.81 O ATOM 0 H GLU A 81 -12.427 -1.054 -3.865 1.00 0.53 H new ATOM 0 HA GLU A 81 -11.970 1.026 -5.871 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -13.992 1.230 -4.504 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -13.041 1.166 -3.033 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -11.829 3.247 -3.800 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -12.928 3.334 -5.163 1.00 1.64 H new ATOM 1526 N ALA A 82 -9.789 1.772 -5.040 1.00 0.61 N ATOM 1527 CA ALA A 82 -8.482 2.220 -4.608 1.00 0.67 C ATOM 1528 C ALA A 82 -8.523 3.641 -4.064 1.00 0.60 C ATOM 1529 O ALA A 82 -9.591 4.252 -3.999 1.00 0.59 O ATOM 1530 CB ALA A 82 -7.507 2.108 -5.752 1.00 0.95 C ATOM 0 H ALA A 82 -10.023 2.012 -6.003 1.00 0.61 H new ATOM 0 HA ALA A 82 -8.152 1.578 -3.791 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -6.523 2.446 -5.426 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -7.445 1.069 -6.077 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -7.847 2.728 -6.582 1.00 0.95 H new ATOM 1536 N LEU A 83 -7.368 4.162 -3.664 1.00 0.60 N ATOM 1537 CA LEU A 83 -7.278 5.516 -3.117 1.00 0.58 C ATOM 1538 C LEU A 83 -7.818 6.537 -4.116 1.00 0.59 C ATOM 1539 O LEU A 83 -8.297 7.606 -3.736 1.00 0.62 O ATOM 1540 CB LEU A 83 -5.825 5.864 -2.745 1.00 0.66 C ATOM 1541 CG LEU A 83 -5.224 5.113 -1.543 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -6.119 5.246 -0.319 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -4.970 3.648 -1.872 1.00 1.34 C ATOM 0 H LEU A 83 -6.477 3.667 -3.708 1.00 0.60 H new ATOM 0 HA LEU A 83 -7.886 5.551 -2.213 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -5.196 5.675 -3.615 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -5.772 6.933 -2.540 1.00 0.66 H new ATOM 0 HG LEU A 83 -4.262 5.572 -1.315 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -5.674 4.707 0.518 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -6.224 6.299 -0.058 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -7.101 4.827 -0.539 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -4.546 3.148 -1.001 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -5.910 3.168 -2.144 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -4.272 3.578 -2.706 1.00 1.34 H new ATOM 1555 N ASP A 84 -7.771 6.174 -5.390 1.00 0.60 N ATOM 1556 CA ASP A 84 -8.220 7.051 -6.467 1.00 0.67 C ATOM 1557 C ASP A 84 -9.748 7.035 -6.605 1.00 0.69 C ATOM 1558 O ASP A 84 -10.301 7.584 -7.558 1.00 0.78 O ATOM 1559 CB ASP A 84 -7.561 6.648 -7.785 1.00 0.70 C ATOM 1560 CG ASP A 84 -8.040 5.302 -8.287 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -7.391 4.278 -7.978 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -9.071 5.262 -8.983 1.00 1.39 O ATOM 0 H ASP A 84 -7.423 5.269 -5.707 1.00 0.60 H new ATOM 0 HA ASP A 84 -7.921 8.069 -6.217 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -7.769 7.408 -8.538 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -6.480 6.618 -7.652 1.00 0.70 H new ATOM 1567 N SER A 85 -10.409 6.385 -5.649 1.00 0.67 N ATOM 1568 CA SER A 85 -11.863 6.462 -5.473 1.00 0.74 C ATOM 1569 C SER A 85 -12.682 5.653 -6.490 1.00 0.77 C ATOM 1570 O SER A 85 -13.893 5.512 -6.311 1.00 1.09 O ATOM 1571 CB SER A 85 -12.322 7.924 -5.469 1.00 0.84 C ATOM 1572 OG SER A 85 -11.683 8.648 -4.426 1.00 1.21 O ATOM 0 H SER A 85 -9.948 5.783 -4.966 1.00 0.67 H new ATOM 0 HA SER A 85 -12.060 5.997 -4.507 1.00 0.74 H new ATOM 0 HB2 SER A 85 -12.095 8.384 -6.430 1.00 0.84 H new ATOM 0 HB3 SER A 85 -13.403 7.971 -5.341 1.00 0.84 H new ATOM 0 HG SER A 85 -11.987 9.579 -4.440 1.00 1.21 H new ATOM 1578 N THR A 86 -12.075 5.113 -7.537 1.00 0.67 N ATOM 1579 CA THR A 86 -12.854 4.309 -8.473 1.00 0.67 C ATOM 1580 C THR A 86 -12.758 2.828 -8.143 1.00 0.66 C ATOM 1581 O THR A 86 -11.863 2.392 -7.402 1.00 0.76 O ATOM 1582 CB THR A 86 -12.470 4.533 -9.951 1.00 0.76 C ATOM 1583 OG1 THR A 86 -11.084 4.266 -10.182 1.00 0.86 O ATOM 1584 CG2 THR A 86 -12.804 5.947 -10.380 1.00 0.93 C ATOM 0 H THR A 86 -11.084 5.209 -7.757 1.00 0.67 H new ATOM 0 HA THR A 86 -13.883 4.647 -8.352 1.00 0.67 H new ATOM 0 HB THR A 86 -13.052 3.832 -10.549 1.00 0.76 H new ATOM 0 HG1 THR A 86 -10.543 4.983 -9.790 1.00 0.86 H new ATOM 0 HG21 THR A 86 -12.526 6.085 -11.425 1.00 0.93 H new ATOM 0 HG22 THR A 86 -13.874 6.120 -10.263 1.00 0.93 H new ATOM 0 HG23 THR A 86 -12.253 6.655 -9.761 1.00 0.93 H new ATOM 1592 N GLN A 87 -13.678 2.058 -8.715 1.00 0.68 N ATOM 1593 CA GLN A 87 -13.777 0.635 -8.432 1.00 0.76 C ATOM 1594 C GLN A 87 -13.195 -0.105 -9.614 1.00 0.66 C ATOM 1595 O GLN A 87 -13.902 -0.391 -10.577 1.00 0.89 O ATOM 1596 CB GLN A 87 -15.236 0.191 -8.267 1.00 1.02 C ATOM 1597 CG GLN A 87 -16.201 1.287 -7.857 1.00 0.98 C ATOM 1598 CD GLN A 87 -16.077 1.681 -6.399 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -16.706 1.082 -5.532 1.00 1.88 O ATOM 1600 NE2 GLN A 87 -15.292 2.705 -6.121 1.00 1.33 N ATOM 0 H GLN A 87 -14.369 2.401 -9.382 1.00 0.68 H new ATOM 0 HA GLN A 87 -13.246 0.422 -7.504 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -15.577 -0.238 -9.209 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -15.275 -0.604 -7.522 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -16.028 2.165 -8.479 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -17.221 0.955 -8.051 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -14.785 3.177 -6.870 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -15.192 3.024 -5.157 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.924 -0.434 -9.547 1.00 0.54 N ATOM 1610 CA HIS A 88 -11.225 -0.890 -10.731 1.00 0.53 C ATOM 1611 C HIS A 88 -10.456 -2.168 -10.475 1.00 0.49 C ATOM 1612 O HIS A 88 -10.432 -2.682 -9.357 1.00 0.51 O ATOM 1613 CB HIS A 88 -10.290 0.191 -11.261 1.00 0.63 C ATOM 1614 CG HIS A 88 -9.374 0.754 -10.238 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -8.388 0.020 -9.623 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -9.312 1.988 -9.711 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.765 0.784 -8.755 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -8.303 1.987 -8.792 1.00 0.97 N ATOM 0 H HIS A 88 -11.359 -0.396 -8.699 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.981 -1.102 -11.487 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -9.697 -0.224 -12.076 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -10.888 0.999 -11.682 1.00 0.63 H new ATOM 0 HD2 HIS A 88 -9.944 2.826 -9.967 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.949 0.478 -8.118 1.00 0.73 H new ATOM 0 HE2 HIS A 88 -8.013 2.785 -8.227 1.00 0.97 H new ATOM 1627 N LYS A 89 -9.816 -2.652 -11.521 1.00 0.49 N ATOM 1628 CA LYS A 89 -9.057 -3.880 -11.465 1.00 0.49 C ATOM 1629 C LYS A 89 -7.764 -3.651 -10.687 1.00 0.45 C ATOM 1630 O LYS A 89 -7.074 -2.653 -10.888 1.00 0.50 O ATOM 1631 CB LYS A 89 -8.780 -4.347 -12.895 1.00 0.61 C ATOM 1632 CG LYS A 89 -8.274 -5.773 -13.003 1.00 1.06 C ATOM 1633 CD LYS A 89 -8.454 -6.317 -14.416 1.00 1.08 C ATOM 1634 CE LYS A 89 -7.556 -5.619 -15.429 1.00 1.15 C ATOM 1635 NZ LYS A 89 -6.120 -5.941 -15.218 1.00 1.49 N ATOM 0 H LYS A 89 -9.809 -2.201 -12.436 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.619 -4.657 -10.946 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -9.696 -4.255 -13.478 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -8.046 -3.679 -13.346 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -7.220 -5.809 -12.728 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -8.810 -6.406 -12.296 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -8.239 -7.386 -14.420 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -9.495 -6.200 -14.717 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -7.849 -5.914 -16.437 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -7.700 -4.541 -15.358 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -5.563 -5.587 -16.022 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -5.788 -5.490 -14.342 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -6.003 -6.972 -15.142 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.471 -4.549 -9.772 1.00 0.38 N ATOM 1650 CA ILE A 90 -6.312 -4.422 -8.905 1.00 0.35 C ATOM 1651 C ILE A 90 -5.592 -5.758 -8.800 1.00 0.34 C ATOM 1652 O ILE A 90 -6.227 -6.811 -8.822 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.741 -3.928 -7.504 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -7.229 -2.481 -7.601 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.605 -4.054 -6.502 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -7.701 -1.896 -6.292 1.00 0.54 C ATOM 0 H ILE A 90 -8.026 -5.388 -9.605 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.629 -3.689 -9.334 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.557 -4.556 -7.145 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -6.421 -1.863 -7.992 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -8.045 -2.432 -8.322 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.939 -3.699 -5.527 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -5.303 -5.098 -6.424 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.757 -3.455 -6.836 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -8.029 -0.869 -6.450 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -8.532 -2.488 -5.908 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -6.883 -1.909 -5.572 1.00 0.54 H new ATOM 1668 N THR A 91 -4.274 -5.723 -8.718 1.00 0.30 N ATOM 1669 CA THR A 91 -3.497 -6.941 -8.642 1.00 0.30 C ATOM 1670 C THR A 91 -2.377 -6.826 -7.615 1.00 0.28 C ATOM 1671 O THR A 91 -1.641 -5.836 -7.578 1.00 0.31 O ATOM 1672 CB THR A 91 -2.897 -7.294 -10.014 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.923 -7.258 -11.014 1.00 0.43 O ATOM 1674 CG2 THR A 91 -2.257 -8.675 -9.991 1.00 0.37 C ATOM 0 H THR A 91 -3.723 -4.865 -8.703 1.00 0.30 H new ATOM 0 HA THR A 91 -4.175 -7.735 -8.330 1.00 0.30 H new ATOM 0 HB THR A 91 -2.126 -6.560 -10.249 1.00 0.33 H new ATOM 0 HG1 THR A 91 -3.537 -7.482 -11.887 1.00 0.43 H new ATOM 0 HG21 THR A 91 -1.841 -8.900 -10.973 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.461 -8.695 -9.246 1.00 0.37 H new ATOM 0 HG23 THR A 91 -3.010 -9.421 -9.737 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.251 -7.858 -6.800 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.175 -7.952 -5.830 1.00 0.33 C ATOM 1684 C PHE A 92 -0.232 -9.055 -6.258 1.00 0.39 C ATOM 1685 O PHE A 92 -0.656 -9.999 -6.916 1.00 0.50 O ATOM 1686 CB PHE A 92 -1.716 -8.242 -4.430 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.168 -7.016 -3.690 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.408 -6.454 -3.954 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.360 -6.426 -2.736 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -3.830 -5.327 -3.282 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -1.778 -5.300 -2.061 1.00 0.46 C ATOM 1692 CZ PHE A 92 -2.993 -4.755 -2.311 1.00 0.52 C ATOM 0 H PHE A 92 -2.890 -8.653 -6.792 1.00 0.30 H new ATOM 0 HA PHE A 92 -0.648 -6.999 -5.791 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -2.553 -8.936 -4.510 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -0.942 -8.742 -3.848 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -4.051 -6.905 -4.695 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -0.392 -6.852 -2.518 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -4.793 -4.889 -3.500 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -1.130 -4.847 -1.325 1.00 0.46 H new ATOM 0 HZ PHE A 92 -3.317 -3.882 -1.764 1.00 0.52 H new ATOM 1702 N ASP A 93 1.039 -8.933 -5.923 1.00 0.37 N ATOM 1703 CA ASP A 93 2.006 -9.964 -6.280 1.00 0.43 C ATOM 1704 C ASP A 93 3.248 -9.899 -5.405 1.00 0.36 C ATOM 1705 O ASP A 93 3.802 -8.827 -5.172 1.00 0.39 O ATOM 1706 CB ASP A 93 2.402 -9.841 -7.756 1.00 0.58 C ATOM 1707 CG ASP A 93 3.428 -10.877 -8.168 1.00 0.80 C ATOM 1708 OD1 ASP A 93 3.077 -12.072 -8.235 1.00 1.69 O ATOM 1709 OD2 ASP A 93 4.588 -10.502 -8.427 1.00 1.24 O ATOM 0 H ASP A 93 1.427 -8.141 -5.410 1.00 0.37 H new ATOM 0 HA ASP A 93 1.527 -10.929 -6.114 1.00 0.43 H new ATOM 0 HB2 ASP A 93 1.513 -9.947 -8.378 1.00 0.58 H new ATOM 0 HB3 ASP A 93 2.803 -8.844 -7.940 1.00 0.58 H new ATOM 1714 N LEU A 94 3.668 -11.052 -4.911 1.00 0.42 N ATOM 1715 CA LEU A 94 4.922 -11.164 -4.185 1.00 0.51 C ATOM 1716 C LEU A 94 6.048 -11.328 -5.194 1.00 0.56 C ATOM 1717 O LEU A 94 6.260 -12.423 -5.717 1.00 0.63 O ATOM 1718 CB LEU A 94 4.889 -12.367 -3.230 1.00 0.61 C ATOM 1719 CG LEU A 94 4.907 -12.036 -1.732 1.00 0.64 C ATOM 1720 CD1 LEU A 94 6.233 -11.416 -1.330 1.00 1.02 C ATOM 1721 CD2 LEU A 94 3.767 -11.105 -1.371 1.00 1.12 C ATOM 0 H LEU A 94 3.155 -11.929 -5.001 1.00 0.42 H new ATOM 0 HA LEU A 94 5.081 -10.266 -3.588 1.00 0.51 H new ATOM 0 HB2 LEU A 94 3.993 -12.950 -3.442 1.00 0.61 H new ATOM 0 HB3 LEU A 94 5.744 -13.005 -3.451 1.00 0.61 H new ATOM 0 HG LEU A 94 4.780 -12.970 -1.184 1.00 0.64 H new ATOM 0 HD11 LEU A 94 6.221 -11.190 -0.264 1.00 1.02 H new ATOM 0 HD12 LEU A 94 7.041 -12.115 -1.544 1.00 1.02 H new ATOM 0 HD13 LEU A 94 6.390 -10.496 -1.894 1.00 1.02 H new ATOM 0 HD21 LEU A 94 3.801 -10.885 -0.304 1.00 1.12 H new ATOM 0 HD22 LEU A 94 3.862 -10.178 -1.936 1.00 1.12 H new ATOM 0 HD23 LEU A 94 2.817 -11.582 -1.613 1.00 1.12 H new ATOM 1733 N LYS A 95 6.772 -10.253 -5.467 1.00 0.58 N ATOM 1734 CA LYS A 95 7.750 -10.277 -6.546 1.00 0.66 C ATOM 1735 C LYS A 95 9.075 -10.802 -6.013 1.00 0.69 C ATOM 1736 O LYS A 95 9.758 -11.593 -6.665 1.00 0.78 O ATOM 1737 CB LYS A 95 7.909 -8.887 -7.189 1.00 0.70 C ATOM 1738 CG LYS A 95 8.654 -7.864 -6.341 1.00 0.91 C ATOM 1739 CD LYS A 95 8.685 -6.502 -7.019 1.00 1.61 C ATOM 1740 CE LYS A 95 9.758 -5.600 -6.432 1.00 2.08 C ATOM 1741 NZ LYS A 95 11.129 -6.085 -6.737 1.00 3.03 N ATOM 0 H LYS A 95 6.704 -9.367 -4.967 1.00 0.58 H new ATOM 0 HA LYS A 95 7.397 -10.946 -7.331 1.00 0.66 H new ATOM 0 HB2 LYS A 95 8.434 -9.001 -8.138 1.00 0.70 H new ATOM 0 HB3 LYS A 95 6.918 -8.494 -7.418 1.00 0.70 H new ATOM 0 HG2 LYS A 95 8.173 -7.777 -5.367 1.00 0.91 H new ATOM 0 HG3 LYS A 95 9.673 -8.208 -6.164 1.00 0.91 H new ATOM 0 HD2 LYS A 95 8.864 -6.632 -8.086 1.00 1.61 H new ATOM 0 HD3 LYS A 95 7.711 -6.023 -6.915 1.00 1.61 H new ATOM 0 HE2 LYS A 95 9.636 -4.591 -6.825 1.00 2.08 H new ATOM 0 HE3 LYS A 95 9.628 -5.540 -5.351 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 11.819 -5.339 -6.515 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 11.334 -6.928 -6.164 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 11.195 -6.328 -7.746 1.00 3.03 H new ATOM 1755 N ASP A 96 9.413 -10.363 -4.810 1.00 0.65 N ATOM 1756 CA ASP A 96 10.557 -10.874 -4.078 1.00 0.70 C ATOM 1757 C ASP A 96 10.086 -11.200 -2.673 1.00 0.65 C ATOM 1758 O ASP A 96 9.069 -10.663 -2.235 1.00 0.60 O ATOM 1759 CB ASP A 96 11.686 -9.835 -4.021 1.00 0.76 C ATOM 1760 CG ASP A 96 12.226 -9.466 -5.387 1.00 1.09 C ATOM 1761 OD1 ASP A 96 11.698 -8.523 -6.007 1.00 1.03 O ATOM 1762 OD2 ASP A 96 13.186 -10.117 -5.846 1.00 1.79 O ATOM 0 H ASP A 96 8.896 -9.637 -4.313 1.00 0.65 H new ATOM 0 HA ASP A 96 10.952 -11.759 -4.577 1.00 0.70 H new ATOM 0 HB2 ASP A 96 11.319 -8.935 -3.527 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.499 -10.225 -3.409 1.00 0.76 H new ATOM 1767 N PRO A 97 10.813 -12.050 -1.933 1.00 0.73 N ATOM 1768 CA PRO A 97 10.381 -12.533 -0.613 1.00 0.76 C ATOM 1769 C PRO A 97 10.453 -11.450 0.464 1.00 0.66 C ATOM 1770 O PRO A 97 10.387 -11.739 1.661 1.00 0.73 O ATOM 1771 CB PRO A 97 11.364 -13.675 -0.302 1.00 0.91 C ATOM 1772 CG PRO A 97 12.109 -13.921 -1.575 1.00 0.98 C ATOM 1773 CD PRO A 97 12.114 -12.611 -2.302 1.00 0.87 C ATOM 0 HA PRO A 97 9.337 -12.847 -0.622 1.00 0.76 H new ATOM 0 HB2 PRO A 97 12.044 -13.398 0.503 1.00 0.91 H new ATOM 0 HB3 PRO A 97 10.834 -14.571 0.022 1.00 0.91 H new ATOM 0 HG2 PRO A 97 13.125 -14.261 -1.374 1.00 0.98 H new ATOM 0 HG3 PRO A 97 11.624 -14.696 -2.169 1.00 0.98 H new ATOM 0 HD2 PRO A 97 12.938 -11.972 -1.985 1.00 0.87 H new ATOM 0 HD3 PRO A 97 12.210 -12.743 -3.380 1.00 0.87 H new ATOM 1781 N ASN A 98 10.592 -10.206 0.025 1.00 0.57 N ATOM 1782 CA ASN A 98 10.611 -9.062 0.923 1.00 0.55 C ATOM 1783 C ASN A 98 9.940 -7.860 0.266 1.00 0.46 C ATOM 1784 O ASN A 98 10.105 -6.724 0.715 1.00 0.50 O ATOM 1785 CB ASN A 98 12.049 -8.700 1.320 1.00 0.68 C ATOM 1786 CG ASN A 98 12.905 -8.306 0.130 1.00 1.38 C ATOM 1787 OD1 ASN A 98 12.945 -7.142 -0.267 1.00 2.32 O ATOM 1788 ND2 ASN A 98 13.604 -9.272 -0.440 1.00 1.91 N ATOM 0 H ASN A 98 10.694 -9.963 -0.960 1.00 0.57 H new ATOM 0 HA ASN A 98 10.059 -9.333 1.823 1.00 0.55 H new ATOM 0 HB2 ASN A 98 12.028 -7.878 2.035 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.507 -9.550 1.826 1.00 0.68 H new ATOM 0 HD21 ASN A 98 14.204 -9.065 -1.239 1.00 1.91 H new ATOM 0 HD22 ASN A 98 13.544 -10.225 -0.081 1.00 1.91 H new ATOM 1795 N THR A 99 9.181 -8.103 -0.804 1.00 0.43 N ATOM 1796 CA THR A 99 8.502 -7.021 -1.509 1.00 0.39 C ATOM 1797 C THR A 99 7.219 -7.494 -2.206 1.00 0.33 C ATOM 1798 O THR A 99 7.254 -8.308 -3.134 1.00 0.37 O ATOM 1799 CB THR A 99 9.426 -6.351 -2.548 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.653 -5.940 -1.927 1.00 0.56 O ATOM 1801 CG2 THR A 99 8.745 -5.139 -3.173 1.00 0.51 C ATOM 0 H THR A 99 9.023 -9.031 -1.196 1.00 0.43 H new ATOM 0 HA THR A 99 8.232 -6.291 -0.746 1.00 0.39 H new ATOM 0 HB THR A 99 9.640 -7.079 -3.330 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.232 -5.518 -2.595 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.414 -4.682 -3.902 1.00 0.51 H new ATOM 0 HG22 THR A 99 7.827 -5.453 -3.669 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.507 -4.414 -2.395 1.00 0.51 H new ATOM 1809 N LEU A 100 6.098 -6.966 -1.732 1.00 0.28 N ATOM 1810 CA LEU A 100 4.784 -7.206 -2.326 1.00 0.26 C ATOM 1811 C LEU A 100 4.414 -6.032 -3.239 1.00 0.27 C ATOM 1812 O LEU A 100 4.840 -4.914 -2.998 1.00 0.34 O ATOM 1813 CB LEU A 100 3.755 -7.374 -1.193 1.00 0.28 C ATOM 1814 CG LEU A 100 2.281 -7.261 -1.584 1.00 0.45 C ATOM 1815 CD1 LEU A 100 1.872 -8.410 -2.479 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.410 -7.217 -0.338 1.00 1.10 C ATOM 0 H LEU A 100 6.072 -6.353 -0.917 1.00 0.28 H new ATOM 0 HA LEU A 100 4.796 -8.113 -2.930 1.00 0.26 H new ATOM 0 HB2 LEU A 100 3.911 -8.350 -0.733 1.00 0.28 H new ATOM 0 HB3 LEU A 100 3.963 -6.624 -0.430 1.00 0.28 H new ATOM 0 HG LEU A 100 2.142 -6.334 -2.141 1.00 0.45 H new ATOM 0 HD11 LEU A 100 0.820 -8.308 -2.744 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.477 -8.398 -3.385 1.00 1.10 H new ATOM 0 HD13 LEU A 100 2.024 -9.353 -1.953 1.00 1.10 H new ATOM 0 HD21 LEU A 100 0.363 -7.136 -0.629 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.557 -8.129 0.241 1.00 1.10 H new ATOM 0 HD23 LEU A 100 1.686 -6.354 0.268 1.00 1.10 H new ATOM 1828 N THR A 101 3.655 -6.273 -4.298 1.00 0.29 N ATOM 1829 CA THR A 101 3.280 -5.201 -5.211 1.00 0.31 C ATOM 1830 C THR A 101 1.775 -4.973 -5.246 1.00 0.30 C ATOM 1831 O THR A 101 0.991 -5.926 -5.266 1.00 0.31 O ATOM 1832 CB THR A 101 3.766 -5.488 -6.643 1.00 0.36 C ATOM 1833 OG1 THR A 101 3.419 -6.827 -7.021 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.266 -5.289 -6.754 1.00 0.41 C ATOM 0 H THR A 101 3.289 -7.192 -4.546 1.00 0.29 H new ATOM 0 HA THR A 101 3.764 -4.301 -4.830 1.00 0.31 H new ATOM 0 HB THR A 101 3.276 -4.787 -7.318 1.00 0.36 H new ATOM 0 HG1 THR A 101 3.736 -7.453 -6.337 1.00 0.36 H new ATOM 0 HG21 THR A 101 5.586 -5.498 -7.775 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.516 -4.259 -6.498 1.00 0.41 H new ATOM 0 HG23 THR A 101 5.775 -5.967 -6.069 1.00 0.41 H new ATOM 1842 N GLU A 102 1.392 -3.706 -5.240 1.00 0.31 N ATOM 1843 CA GLU A 102 -0.001 -3.300 -5.403 1.00 0.33 C ATOM 1844 C GLU A 102 -0.145 -2.491 -6.690 1.00 0.35 C ATOM 1845 O GLU A 102 0.406 -1.396 -6.806 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.455 -2.477 -4.183 1.00 0.39 C ATOM 1847 CG GLU A 102 -1.648 -1.555 -4.432 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.944 -2.278 -4.691 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -2.980 -3.118 -5.628 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.903 -2.056 -3.942 1.00 0.98 O ATOM 0 H GLU A 102 2.038 -2.926 -5.122 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.636 -4.183 -5.471 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.708 -3.163 -3.375 1.00 0.39 H new ATOM 0 HB3 GLU A 102 0.385 -1.874 -3.838 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -1.775 -0.903 -3.568 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -1.426 -0.914 -5.285 1.00 0.56 H new ATOM 1857 N THR A 103 -0.863 -3.034 -7.660 1.00 0.36 N ATOM 1858 CA THR A 103 -1.028 -2.375 -8.943 1.00 0.39 C ATOM 1859 C THR A 103 -2.499 -2.069 -9.217 1.00 0.39 C ATOM 1860 O THR A 103 -3.339 -2.970 -9.265 1.00 0.42 O ATOM 1861 CB THR A 103 -0.457 -3.238 -10.087 1.00 0.43 C ATOM 1862 OG1 THR A 103 0.918 -3.551 -9.816 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.562 -2.516 -11.424 1.00 0.46 C ATOM 0 H THR A 103 -1.341 -3.931 -7.582 1.00 0.36 H new ATOM 0 HA THR A 103 -0.475 -1.437 -8.900 1.00 0.39 H new ATOM 0 HB THR A 103 -1.041 -4.157 -10.146 1.00 0.43 H new ATOM 0 HG1 THR A 103 1.466 -2.747 -9.934 1.00 0.51 H new ATOM 0 HG21 THR A 103 -0.152 -3.148 -12.212 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.608 -2.300 -11.640 1.00 0.46 H new ATOM 0 HG23 THR A 103 -0.001 -1.583 -11.379 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.802 -0.792 -9.391 1.00 0.40 N ATOM 1872 CA HIS A 104 -4.165 -0.352 -9.653 1.00 0.45 C ATOM 1873 C HIS A 104 -4.369 -0.113 -11.143 1.00 0.40 C ATOM 1874 O HIS A 104 -3.677 0.713 -11.737 1.00 0.48 O ATOM 1875 CB HIS A 104 -4.471 0.949 -8.903 1.00 0.70 C ATOM 1876 CG HIS A 104 -4.242 0.890 -7.427 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -3.648 1.910 -6.713 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -4.570 -0.056 -6.523 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -3.623 1.586 -5.434 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -4.178 0.396 -5.289 1.00 1.69 N ATOM 0 H HIS A 104 -2.117 -0.037 -9.355 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.837 -1.137 -9.308 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -3.856 1.746 -9.320 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -5.511 1.221 -9.085 1.00 0.70 H new ATOM 0 HD2 HIS A 104 -5.054 -0.999 -6.733 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -3.217 2.193 -4.638 1.00 1.60 H new ATOM 0 HE2 HIS A 104 -4.295 -0.103 -4.407 1.00 1.69 H new ATOM 1889 N ILE A 105 -5.308 -0.840 -11.744 1.00 0.45 N ATOM 1890 CA ILE A 105 -5.668 -0.625 -13.143 1.00 0.52 C ATOM 1891 C ILE A 105 -7.120 -0.180 -13.263 1.00 0.54 C ATOM 1892 O ILE A 105 -8.048 -0.942 -12.983 1.00 0.55 O ATOM 1893 CB ILE A 105 -5.466 -1.884 -13.997 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -4.045 -2.417 -13.823 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -5.754 -1.576 -15.464 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -3.683 -3.483 -14.819 1.00 0.75 C ATOM 0 H ILE A 105 -5.833 -1.583 -11.284 1.00 0.45 H new ATOM 0 HA ILE A 105 -5.004 0.155 -13.516 1.00 0.52 H new ATOM 0 HB ILE A 105 -6.163 -2.653 -13.665 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -3.341 -1.590 -13.914 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -3.936 -2.819 -12.816 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -5.607 -2.477 -16.060 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -6.784 -1.235 -15.569 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -5.076 -0.796 -15.812 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -2.661 -3.817 -14.639 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -4.365 -4.327 -14.713 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -3.760 -3.079 -15.828 1.00 0.75 H new ATOM 1908 N LYS A 106 -7.294 1.060 -13.661 1.00 0.59 N ATOM 1909 CA LYS A 106 -8.618 1.672 -13.766 1.00 0.63 C ATOM 1910 C LYS A 106 -9.447 1.074 -14.901 1.00 0.67 C ATOM 1911 O LYS A 106 -8.950 0.815 -15.995 1.00 0.70 O ATOM 1912 CB LYS A 106 -8.464 3.180 -13.964 1.00 0.73 C ATOM 1913 CG LYS A 106 -7.739 3.873 -12.820 1.00 0.81 C ATOM 1914 CD LYS A 106 -7.559 5.359 -13.088 1.00 1.05 C ATOM 1915 CE LYS A 106 -6.887 6.059 -11.918 1.00 1.47 C ATOM 1916 NZ LYS A 106 -6.734 7.520 -12.151 1.00 1.61 N ATOM 0 H LYS A 106 -6.528 1.680 -13.923 1.00 0.59 H new ATOM 0 HA LYS A 106 -9.154 1.468 -12.839 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -7.921 3.363 -14.891 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -9.452 3.626 -14.080 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -8.301 3.735 -11.896 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -6.764 3.409 -12.672 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -6.961 5.497 -13.988 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -8.530 5.816 -13.277 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -7.474 5.896 -11.014 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -5.906 5.615 -11.746 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -6.835 8.028 -11.249 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -5.794 7.711 -12.553 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -7.466 7.844 -12.814 1.00 1.61 H new ATOM 1930 N VAL A 107 -10.726 0.852 -14.591 1.00 0.70 N ATOM 1931 CA VAL A 107 -11.693 0.344 -15.543 1.00 0.78 C ATOM 1932 C VAL A 107 -11.867 1.322 -16.695 1.00 0.86 C ATOM 1933 O VAL A 107 -12.024 0.924 -17.850 1.00 0.92 O ATOM 1934 CB VAL A 107 -13.072 0.135 -14.893 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -13.872 -0.849 -15.701 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -12.958 -0.327 -13.455 1.00 1.11 C ATOM 0 H VAL A 107 -11.114 1.024 -13.663 1.00 0.70 H new ATOM 0 HA VAL A 107 -11.311 -0.612 -15.902 1.00 0.78 H new ATOM 0 HB VAL A 107 -13.585 1.097 -14.881 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -14.847 -0.993 -15.236 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -14.005 -0.466 -16.713 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -13.344 -1.802 -15.740 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -13.955 -0.462 -13.036 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -12.418 -1.273 -13.419 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -12.418 0.421 -12.874 1.00 1.11 H new ATOM 1946 N ASP A 108 -11.827 2.608 -16.364 1.00 0.89 N ATOM 1947 CA ASP A 108 -12.063 3.658 -17.341 1.00 1.00 C ATOM 1948 C ASP A 108 -10.826 3.871 -18.198 1.00 0.97 C ATOM 1949 O ASP A 108 -10.902 3.894 -19.427 1.00 1.06 O ATOM 1950 CB ASP A 108 -12.442 4.971 -16.648 1.00 1.05 C ATOM 1951 CG ASP A 108 -13.712 4.862 -15.828 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -13.632 4.943 -14.584 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -14.800 4.689 -16.419 1.00 2.50 O ATOM 0 H ASP A 108 -11.632 2.947 -15.422 1.00 0.89 H new ATOM 0 HA ASP A 108 -12.891 3.346 -17.978 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -11.623 5.283 -16.000 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -12.567 5.750 -17.400 1.00 1.05 H new ATOM 1958 N ASP A 109 -9.684 4.027 -17.542 1.00 0.91 N ATOM 1959 CA ASP A 109 -8.422 4.228 -18.235 1.00 0.92 C ATOM 1960 C ASP A 109 -7.349 3.336 -17.631 1.00 0.84 C ATOM 1961 O ASP A 109 -6.723 3.678 -16.628 1.00 0.85 O ATOM 1962 CB ASP A 109 -7.990 5.692 -18.163 1.00 1.03 C ATOM 1963 CG ASP A 109 -6.764 5.970 -19.007 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -5.643 5.687 -18.536 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -6.911 6.474 -20.138 1.00 1.94 O ATOM 0 H ASP A 109 -9.608 4.018 -16.525 1.00 0.91 H new ATOM 0 HA ASP A 109 -8.559 3.963 -19.283 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -8.810 6.328 -18.497 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -7.783 5.957 -17.126 1.00 1.03 H new ATOM 1970 N PRO A 110 -7.144 2.170 -18.238 1.00 0.80 N ATOM 1971 CA PRO A 110 -6.185 1.172 -17.762 1.00 0.78 C ATOM 1972 C PRO A 110 -4.729 1.555 -18.021 1.00 0.86 C ATOM 1973 O PRO A 110 -3.817 0.788 -17.716 1.00 0.90 O ATOM 1974 CB PRO A 110 -6.558 -0.068 -18.572 1.00 0.80 C ATOM 1975 CG PRO A 110 -7.137 0.468 -19.827 1.00 0.84 C ATOM 1976 CD PRO A 110 -7.866 1.714 -19.434 1.00 0.83 C ATOM 0 HA PRO A 110 -6.242 1.045 -16.681 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -5.685 -0.689 -18.771 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -7.276 -0.690 -18.038 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -6.357 0.684 -20.557 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -7.813 -0.253 -20.286 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -7.841 2.461 -20.227 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -8.915 1.514 -19.218 1.00 0.83 H new ATOM 1984 N THR A 111 -4.502 2.727 -18.594 1.00 0.93 N ATOM 1985 CA THR A 111 -3.145 3.171 -18.863 1.00 1.05 C ATOM 1986 C THR A 111 -2.647 4.095 -17.765 1.00 0.94 C ATOM 1987 O THR A 111 -1.442 4.289 -17.600 1.00 0.98 O ATOM 1988 CB THR A 111 -3.030 3.855 -20.236 1.00 1.30 C ATOM 1989 OG1 THR A 111 -4.011 4.890 -20.377 1.00 1.33 O ATOM 1990 CG2 THR A 111 -3.220 2.836 -21.339 1.00 1.47 C ATOM 0 H THR A 111 -5.231 3.381 -18.879 1.00 0.93 H new ATOM 0 HA THR A 111 -2.513 2.283 -18.881 1.00 1.05 H new ATOM 0 HB THR A 111 -2.037 4.299 -20.309 1.00 1.30 H new ATOM 0 HG1 THR A 111 -4.466 5.028 -19.520 1.00 1.33 H new ATOM 0 HG21 THR A 111 -3.137 3.329 -22.308 1.00 1.47 H new ATOM 0 HG22 THR A 111 -2.454 2.065 -21.257 1.00 1.47 H new ATOM 0 HG23 THR A 111 -4.206 2.380 -21.247 1.00 1.47 H new ATOM 1998 N ASP A 112 -3.580 4.644 -17.002 1.00 0.86 N ATOM 1999 CA ASP A 112 -3.241 5.484 -15.859 1.00 0.86 C ATOM 2000 C ASP A 112 -3.133 4.625 -14.605 1.00 0.79 C ATOM 2001 O ASP A 112 -3.753 4.900 -13.575 1.00 1.18 O ATOM 2002 CB ASP A 112 -4.288 6.589 -15.665 1.00 1.05 C ATOM 2003 CG ASP A 112 -3.881 7.605 -14.610 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -4.756 8.050 -13.837 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -2.679 7.944 -14.534 1.00 1.40 O ATOM 0 H ASP A 112 -4.582 4.523 -17.153 1.00 0.86 H new ATOM 0 HA ASP A 112 -2.280 5.962 -16.048 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -4.449 7.101 -16.613 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -5.238 6.137 -15.381 1.00 1.05 H new ATOM 2010 N VAL A 113 -2.370 3.550 -14.729 1.00 0.66 N ATOM 2011 CA VAL A 113 -2.135 2.640 -13.627 1.00 0.68 C ATOM 2012 C VAL A 113 -1.313 3.280 -12.530 1.00 0.60 C ATOM 2013 O VAL A 113 -0.789 4.385 -12.682 1.00 0.79 O ATOM 2014 CB VAL A 113 -1.422 1.363 -14.092 1.00 0.86 C ATOM 2015 CG1 VAL A 113 -2.361 0.506 -14.904 1.00 1.60 C ATOM 2016 CG2 VAL A 113 -0.171 1.699 -14.885 1.00 1.23 C ATOM 0 H VAL A 113 -1.899 3.287 -15.595 1.00 0.66 H new ATOM 0 HA VAL A 113 -3.119 2.385 -13.233 1.00 0.68 H new ATOM 0 HB VAL A 113 -1.116 0.799 -13.211 1.00 0.86 H new ATOM 0 HG11 VAL A 113 -1.842 -0.396 -15.227 1.00 1.60 H new ATOM 0 HG12 VAL A 113 -3.222 0.231 -14.294 1.00 1.60 H new ATOM 0 HG13 VAL A 113 -2.699 1.063 -15.778 1.00 1.60 H new ATOM 0 HG21 VAL A 113 0.316 0.777 -15.203 1.00 1.23 H new ATOM 0 HG22 VAL A 113 -0.443 2.287 -15.761 1.00 1.23 H new ATOM 0 HG23 VAL A 113 0.512 2.274 -14.260 1.00 1.23 H new ATOM 2026 N GLU A 114 -1.200 2.572 -11.428 1.00 0.45 N ATOM 2027 CA GLU A 114 -0.447 3.054 -10.286 1.00 0.47 C ATOM 2028 C GLU A 114 0.018 1.874 -9.444 1.00 0.44 C ATOM 2029 O GLU A 114 -0.767 0.969 -9.156 1.00 0.48 O ATOM 2030 CB GLU A 114 -1.326 4.001 -9.471 1.00 0.64 C ATOM 2031 CG GLU A 114 -0.630 4.637 -8.286 1.00 0.96 C ATOM 2032 CD GLU A 114 -1.523 5.632 -7.586 1.00 1.94 C ATOM 2033 OE1 GLU A 114 -2.362 5.197 -6.766 1.00 2.78 O ATOM 2034 OE2 GLU A 114 -1.394 6.848 -7.863 1.00 2.10 O ATOM 0 H GLU A 114 -1.623 1.653 -11.296 1.00 0.45 H new ATOM 0 HA GLU A 114 0.436 3.599 -10.621 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -1.694 4.790 -10.127 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -2.197 3.451 -9.113 1.00 0.64 H new ATOM 0 HG2 GLU A 114 -0.326 3.862 -7.582 1.00 0.96 H new ATOM 0 HG3 GLU A 114 0.279 5.136 -8.622 1.00 0.96 H new ATOM 2041 N THR A 115 1.286 1.874 -9.058 1.00 0.45 N ATOM 2042 CA THR A 115 1.860 0.736 -8.360 1.00 0.45 C ATOM 2043 C THR A 115 2.615 1.153 -7.098 1.00 0.44 C ATOM 2044 O THR A 115 3.476 2.032 -7.128 1.00 0.51 O ATOM 2045 CB THR A 115 2.808 -0.057 -9.288 1.00 0.49 C ATOM 2046 OG1 THR A 115 2.090 -0.510 -10.446 1.00 0.53 O ATOM 2047 CG2 THR A 115 3.412 -1.254 -8.564 1.00 0.53 C ATOM 0 H THR A 115 1.933 2.646 -9.216 1.00 0.45 H new ATOM 0 HA THR A 115 1.026 0.101 -8.061 1.00 0.45 H new ATOM 0 HB THR A 115 3.617 0.607 -9.592 1.00 0.49 H new ATOM 0 HG1 THR A 115 2.696 -1.011 -11.031 1.00 0.53 H new ATOM 0 HG21 THR A 115 4.074 -1.793 -9.242 1.00 0.53 H new ATOM 0 HG22 THR A 115 3.980 -0.908 -7.700 1.00 0.53 H new ATOM 0 HG23 THR A 115 2.614 -1.919 -8.232 1.00 0.53 H new ATOM 2055 N TYR A 116 2.274 0.503 -5.995 1.00 0.41 N ATOM 2056 CA TYR A 116 3.002 0.658 -4.744 1.00 0.43 C ATOM 2057 C TYR A 116 3.802 -0.614 -4.524 1.00 0.38 C ATOM 2058 O TYR A 116 3.441 -1.661 -5.067 1.00 0.39 O ATOM 2059 CB TYR A 116 2.055 0.850 -3.551 1.00 0.54 C ATOM 2060 CG TYR A 116 0.929 1.845 -3.753 1.00 0.57 C ATOM 2061 CD1 TYR A 116 1.069 2.961 -4.568 1.00 0.79 C ATOM 2062 CD2 TYR A 116 -0.282 1.660 -3.101 1.00 0.80 C ATOM 2063 CE1 TYR A 116 0.031 3.861 -4.729 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -1.322 2.554 -3.256 1.00 0.91 C ATOM 2065 CZ TYR A 116 -1.162 3.652 -4.071 1.00 0.80 C ATOM 2066 OH TYR A 116 -2.204 4.540 -4.232 1.00 0.96 O ATOM 0 H TYR A 116 1.488 -0.145 -5.942 1.00 0.41 H new ATOM 0 HA TYR A 116 3.638 1.541 -4.811 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.619 -0.117 -3.299 1.00 0.54 H new ATOM 0 HB3 TYR A 116 2.645 1.168 -2.691 1.00 0.54 H new ATOM 0 HD1 TYR A 116 2.003 3.129 -5.084 1.00 0.79 H new ATOM 0 HD2 TYR A 116 -0.413 0.800 -2.460 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.155 4.723 -5.367 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -2.257 2.393 -2.740 1.00 0.91 H new ATOM 0 HH TYR A 116 -2.183 4.908 -5.140 1.00 0.96 H new ATOM 2076 N GLU A 117 4.866 -0.565 -3.736 1.00 0.37 N ATOM 2077 CA GLU A 117 5.641 -1.760 -3.452 1.00 0.35 C ATOM 2078 C GLU A 117 5.872 -1.857 -1.950 1.00 0.34 C ATOM 2079 O GLU A 117 6.410 -0.933 -1.339 1.00 0.44 O ATOM 2080 CB GLU A 117 6.980 -1.723 -4.192 1.00 0.44 C ATOM 2081 CG GLU A 117 6.844 -1.791 -5.702 1.00 0.92 C ATOM 2082 CD GLU A 117 8.155 -1.567 -6.421 1.00 0.83 C ATOM 2083 OE1 GLU A 117 9.081 -2.388 -6.255 1.00 1.27 O ATOM 2084 OE2 GLU A 117 8.261 -0.572 -7.169 1.00 1.18 O ATOM 0 H GLU A 117 5.209 0.283 -3.286 1.00 0.37 H new ATOM 0 HA GLU A 117 5.090 -2.635 -3.795 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.508 -0.808 -3.924 1.00 0.44 H new ATOM 0 HB3 GLU A 117 7.595 -2.557 -3.853 1.00 0.44 H new ATOM 0 HG2 GLU A 117 6.443 -2.765 -5.982 1.00 0.92 H new ATOM 0 HG3 GLU A 117 6.122 -1.043 -6.031 1.00 0.92 H new ATOM 2091 N TYR A 118 5.449 -2.961 -1.364 1.00 0.29 N ATOM 2092 CA TYR A 118 5.560 -3.175 0.067 1.00 0.29 C ATOM 2093 C TYR A 118 6.861 -3.893 0.388 1.00 0.31 C ATOM 2094 O TYR A 118 6.939 -5.119 0.306 1.00 0.41 O ATOM 2095 CB TYR A 118 4.372 -3.999 0.581 1.00 0.32 C ATOM 2096 CG TYR A 118 3.028 -3.367 0.308 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.508 -2.401 1.159 1.00 0.50 C ATOM 2098 CD2 TYR A 118 2.271 -3.734 -0.796 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.281 -1.831 0.916 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.053 -3.166 -1.042 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.573 -2.202 -0.194 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.658 -1.681 -0.435 1.00 0.60 O ATOM 0 H TYR A 118 5.018 -3.736 -1.867 1.00 0.29 H new ATOM 0 HA TYR A 118 5.554 -2.204 0.563 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.399 -4.986 0.119 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.482 -4.147 1.655 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.076 -2.093 2.024 1.00 0.50 H new ATOM 0 HD2 TYR A 118 2.652 -4.483 -1.474 1.00 0.47 H new ATOM 0 HE1 TYR A 118 0.879 -1.095 1.597 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.472 -3.474 -1.899 1.00 0.52 H new ATOM 0 HH TYR A 118 -1.014 -2.055 -1.268 1.00 0.60 H new ATOM 2112 N ARG A 119 7.878 -3.124 0.722 1.00 0.31 N ATOM 2113 CA ARG A 119 9.171 -3.669 1.102 1.00 0.35 C ATOM 2114 C ARG A 119 9.326 -3.630 2.619 1.00 0.35 C ATOM 2115 O ARG A 119 8.712 -2.807 3.289 1.00 0.42 O ATOM 2116 CB ARG A 119 10.292 -2.864 0.425 1.00 0.46 C ATOM 2117 CG ARG A 119 11.675 -3.112 1.009 1.00 1.14 C ATOM 2118 CD ARG A 119 12.715 -2.186 0.403 1.00 1.30 C ATOM 2119 NE ARG A 119 13.923 -2.110 1.226 1.00 1.83 N ATOM 2120 CZ ARG A 119 14.977 -1.348 0.935 1.00 2.50 C ATOM 2121 NH1 ARG A 119 15.018 -0.671 -0.206 1.00 2.76 N ATOM 2122 NH2 ARG A 119 15.997 -1.277 1.780 1.00 3.41 N ATOM 0 H ARG A 119 7.834 -2.105 0.738 1.00 0.31 H new ATOM 0 HA ARG A 119 9.237 -4.706 0.773 1.00 0.35 H new ATOM 0 HB2 ARG A 119 10.309 -3.108 -0.637 1.00 0.46 H new ATOM 0 HB3 ARG A 119 10.061 -1.802 0.505 1.00 0.46 H new ATOM 0 HG2 ARG A 119 11.645 -2.968 2.089 1.00 1.14 H new ATOM 0 HG3 ARG A 119 11.964 -4.148 0.833 1.00 1.14 H new ATOM 0 HD2 ARG A 119 12.977 -2.538 -0.595 1.00 1.30 H new ATOM 0 HD3 ARG A 119 12.290 -1.189 0.288 1.00 1.30 H new ATOM 0 HE ARG A 119 13.960 -2.675 2.074 1.00 1.83 H new ATOM 0 HH11 ARG A 119 14.241 -0.733 -0.864 1.00 2.76 H new ATOM 0 HH12 ARG A 119 15.827 -0.089 -0.425 1.00 2.76 H new ATOM 0 HH21 ARG A 119 15.975 -1.805 2.652 1.00 3.41 H new ATOM 0 HH22 ARG A 119 16.804 -0.694 1.558 1.00 3.41 H new ATOM 2136 N ARG A 120 10.125 -4.530 3.160 1.00 0.36 N ATOM 2137 CA ARG A 120 10.467 -4.487 4.571 1.00 0.41 C ATOM 2138 C ARG A 120 11.894 -4.005 4.737 1.00 0.46 C ATOM 2139 O ARG A 120 12.785 -4.422 3.998 1.00 0.63 O ATOM 2140 CB ARG A 120 10.310 -5.862 5.216 1.00 0.49 C ATOM 2141 CG ARG A 120 8.902 -6.157 5.702 1.00 1.06 C ATOM 2142 CD ARG A 120 8.530 -5.306 6.910 1.00 0.97 C ATOM 2143 NE ARG A 120 9.466 -5.480 8.027 1.00 1.27 N ATOM 2144 CZ ARG A 120 9.095 -5.575 9.308 1.00 1.56 C ATOM 2145 NH1 ARG A 120 7.810 -5.637 9.633 1.00 1.62 N ATOM 2146 NH2 ARG A 120 10.014 -5.642 10.261 1.00 1.96 N ATOM 0 H ARG A 120 10.550 -5.301 2.644 1.00 0.36 H new ATOM 0 HA ARG A 120 9.786 -3.796 5.067 1.00 0.41 H new ATOM 0 HB2 ARG A 120 10.603 -6.626 4.496 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.998 -5.938 6.058 1.00 0.49 H new ATOM 0 HG2 ARG A 120 8.193 -5.972 4.895 1.00 1.06 H new ATOM 0 HG3 ARG A 120 8.821 -7.212 5.962 1.00 1.06 H new ATOM 0 HD2 ARG A 120 8.508 -4.256 6.618 1.00 0.97 H new ATOM 0 HD3 ARG A 120 7.524 -5.567 7.239 1.00 0.97 H new ATOM 0 HE ARG A 120 10.462 -5.532 7.813 1.00 1.27 H new ATOM 0 HH11 ARG A 120 7.098 -5.612 8.903 1.00 1.62 H new ATOM 0 HH12 ARG A 120 7.535 -5.709 10.612 1.00 1.62 H new ATOM 0 HH21 ARG A 120 11.004 -5.621 10.017 1.00 1.96 H new ATOM 0 HH22 ARG A 120 9.731 -5.714 11.238 1.00 1.96 H new ATOM 2160 N ASP A 121 12.109 -3.108 5.683 1.00 0.49 N ATOM 2161 CA ASP A 121 13.450 -2.646 5.997 1.00 0.59 C ATOM 2162 C ASP A 121 13.537 -2.295 7.470 1.00 0.66 C ATOM 2163 O ASP A 121 12.923 -1.328 7.923 1.00 1.08 O ATOM 2164 CB ASP A 121 13.832 -1.439 5.139 1.00 0.67 C ATOM 2165 CG ASP A 121 15.299 -1.085 5.270 1.00 0.82 C ATOM 2166 OD1 ASP A 121 16.124 -1.656 4.528 1.00 0.96 O ATOM 2167 OD2 ASP A 121 15.633 -0.227 6.115 1.00 0.88 O ATOM 0 H ASP A 121 11.372 -2.685 6.247 1.00 0.49 H new ATOM 0 HA ASP A 121 14.154 -3.449 5.775 1.00 0.59 H new ATOM 0 HB2 ASP A 121 13.603 -1.651 4.095 1.00 0.67 H new ATOM 0 HB3 ASP A 121 13.226 -0.582 5.431 1.00 0.67 H new ATOM 2172 N GLY A 122 14.284 -3.095 8.214 1.00 0.73 N ATOM 2173 CA GLY A 122 14.344 -2.924 9.648 1.00 0.83 C ATOM 2174 C GLY A 122 13.044 -3.345 10.295 1.00 0.78 C ATOM 2175 O GLY A 122 12.496 -4.398 9.969 1.00 0.92 O ATOM 0 H GLY A 122 14.850 -3.861 7.849 1.00 0.73 H new ATOM 0 HA2 GLY A 122 15.165 -3.514 10.055 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.552 -1.881 9.886 1.00 0.83 H new ATOM 2179 N ASP A 123 12.537 -2.519 11.191 1.00 0.70 N ATOM 2180 CA ASP A 123 11.244 -2.775 11.809 1.00 0.78 C ATOM 2181 C ASP A 123 10.193 -1.867 11.199 1.00 0.64 C ATOM 2182 O ASP A 123 9.215 -1.494 11.849 1.00 0.75 O ATOM 2183 CB ASP A 123 11.307 -2.566 13.325 1.00 0.98 C ATOM 2184 CG ASP A 123 12.197 -3.579 14.010 1.00 1.67 C ATOM 2185 OD1 ASP A 123 11.704 -4.673 14.357 1.00 2.17 O ATOM 2186 OD2 ASP A 123 13.397 -3.287 14.211 1.00 2.31 O ATOM 0 H ASP A 123 12.998 -1.666 11.508 1.00 0.70 H new ATOM 0 HA ASP A 123 10.974 -3.815 11.623 1.00 0.78 H new ATOM 0 HB2 ASP A 123 11.675 -1.562 13.536 1.00 0.98 H new ATOM 0 HB3 ASP A 123 10.301 -2.631 13.740 1.00 0.98 H new ATOM 2191 N TYR A 124 10.410 -1.500 9.945 1.00 0.48 N ATOM 2192 CA TYR A 124 9.509 -0.608 9.244 1.00 0.36 C ATOM 2193 C TYR A 124 9.059 -1.225 7.933 1.00 0.33 C ATOM 2194 O TYR A 124 9.827 -1.926 7.263 1.00 0.39 O ATOM 2195 CB TYR A 124 10.194 0.730 8.954 1.00 0.32 C ATOM 2196 CG TYR A 124 10.672 1.457 10.184 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.955 1.259 10.668 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.842 2.343 10.861 1.00 0.49 C ATOM 2199 CE1 TYR A 124 12.402 1.922 11.789 1.00 0.53 C ATOM 2200 CE2 TYR A 124 10.280 3.011 11.987 1.00 0.58 C ATOM 2201 CZ TYR A 124 11.563 2.797 12.449 1.00 0.56 C ATOM 2202 OH TYR A 124 12.010 3.464 13.566 1.00 0.67 O ATOM 0 H TYR A 124 11.209 -1.811 9.392 1.00 0.48 H new ATOM 0 HA TYR A 124 8.642 -0.442 9.883 1.00 0.36 H new ATOM 0 HB2 TYR A 124 11.045 0.555 8.295 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.499 1.372 8.413 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.615 0.573 10.158 1.00 0.46 H new ATOM 0 HD2 TYR A 124 8.838 2.512 10.500 1.00 0.49 H new ATOM 0 HE1 TYR A 124 13.406 1.758 12.151 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.623 3.696 12.503 1.00 0.58 H new ATOM 0 HH TYR A 124 11.297 4.042 13.909 1.00 0.67 H new ATOM 2212 N LEU A 125 7.811 -0.981 7.581 1.00 0.30 N ATOM 2213 CA LEU A 125 7.315 -1.279 6.259 1.00 0.30 C ATOM 2214 C LEU A 125 7.656 -0.105 5.360 1.00 0.27 C ATOM 2215 O LEU A 125 7.259 1.028 5.628 1.00 0.31 O ATOM 2216 CB LEU A 125 5.798 -1.504 6.292 1.00 0.36 C ATOM 2217 CG LEU A 125 5.125 -1.677 4.926 1.00 0.44 C ATOM 2218 CD1 LEU A 125 5.525 -2.996 4.290 1.00 1.03 C ATOM 2219 CD2 LEU A 125 3.610 -1.585 5.059 1.00 0.88 C ATOM 0 H LEU A 125 7.116 -0.571 8.205 1.00 0.30 H new ATOM 0 HA LEU A 125 7.776 -2.192 5.881 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.593 -2.390 6.893 1.00 0.36 H new ATOM 0 HB3 LEU A 125 5.334 -0.659 6.801 1.00 0.36 H new ATOM 0 HG LEU A 125 5.464 -0.870 4.277 1.00 0.44 H new ATOM 0 HD11 LEU A 125 5.035 -3.096 3.322 1.00 1.03 H new ATOM 0 HD12 LEU A 125 6.606 -3.021 4.154 1.00 1.03 H new ATOM 0 HD13 LEU A 125 5.221 -3.819 4.937 1.00 1.03 H new ATOM 0 HD21 LEU A 125 3.150 -1.710 4.079 1.00 0.88 H new ATOM 0 HD22 LEU A 125 3.255 -2.368 5.729 1.00 0.88 H new ATOM 0 HD23 LEU A 125 3.339 -0.610 5.465 1.00 0.88 H new ATOM 2231 N VAL A 126 8.393 -0.365 4.309 1.00 0.29 N ATOM 2232 CA VAL A 126 8.868 0.698 3.453 1.00 0.34 C ATOM 2233 C VAL A 126 8.241 0.563 2.083 1.00 0.36 C ATOM 2234 O VAL A 126 8.477 -0.407 1.367 1.00 0.43 O ATOM 2235 CB VAL A 126 10.404 0.705 3.331 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.869 1.850 2.438 1.00 0.46 C ATOM 2237 CG2 VAL A 126 11.048 0.811 4.707 1.00 0.47 C ATOM 0 H VAL A 126 8.678 -1.302 4.024 1.00 0.29 H new ATOM 0 HA VAL A 126 8.575 1.645 3.906 1.00 0.34 H new ATOM 0 HB VAL A 126 10.714 -0.235 2.874 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.957 1.836 2.366 1.00 0.46 H new ATOM 0 HG12 VAL A 126 10.438 1.734 1.444 1.00 0.46 H new ATOM 0 HG13 VAL A 126 10.546 2.799 2.865 1.00 0.46 H new ATOM 0 HG21 VAL A 126 12.133 0.815 4.602 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.727 1.735 5.189 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.745 -0.040 5.317 1.00 0.47 H new ATOM 2247 N MET A 127 7.432 1.536 1.733 1.00 0.38 N ATOM 2248 CA MET A 127 6.746 1.511 0.463 1.00 0.46 C ATOM 2249 C MET A 127 7.564 2.222 -0.591 1.00 0.33 C ATOM 2250 O MET A 127 8.109 3.299 -0.347 1.00 0.33 O ATOM 2251 CB MET A 127 5.365 2.146 0.566 1.00 0.65 C ATOM 2252 CG MET A 127 4.743 2.407 -0.794 1.00 0.87 C ATOM 2253 SD MET A 127 2.997 2.799 -0.709 1.00 1.08 S ATOM 2254 CE MET A 127 2.359 1.256 -0.076 1.00 0.66 C ATOM 0 H MET A 127 7.233 2.354 2.309 1.00 0.38 H new ATOM 0 HA MET A 127 6.619 0.468 0.174 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.710 1.492 1.142 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.440 3.085 1.114 1.00 0.65 H new ATOM 0 HG2 MET A 127 5.270 3.230 -1.275 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.881 1.528 -1.424 1.00 0.87 H new ATOM 0 HE1 MET A 127 1.296 1.180 -0.306 1.00 0.66 H new ATOM 0 HE2 MET A 127 2.891 0.425 -0.539 1.00 0.66 H new ATOM 0 HE3 MET A 127 2.500 1.220 1.004 1.00 0.66 H new ATOM 2264 N LYS A 128 7.641 1.621 -1.762 1.00 0.33 N ATOM 2265 CA LYS A 128 8.324 2.231 -2.880 1.00 0.35 C ATOM 2266 C LYS A 128 7.323 2.470 -3.994 1.00 0.35 C ATOM 2267 O LYS A 128 6.650 1.546 -4.448 1.00 0.44 O ATOM 2268 CB LYS A 128 9.474 1.351 -3.378 1.00 0.55 C ATOM 2269 CG LYS A 128 10.277 1.988 -4.507 1.00 0.82 C ATOM 2270 CD LYS A 128 11.125 3.154 -4.015 1.00 0.99 C ATOM 2271 CE LYS A 128 12.356 2.668 -3.268 1.00 1.42 C ATOM 2272 NZ LYS A 128 13.185 3.788 -2.749 1.00 2.20 N ATOM 0 H LYS A 128 7.236 0.706 -1.962 1.00 0.33 H new ATOM 0 HA LYS A 128 8.755 3.179 -2.557 1.00 0.35 H new ATOM 0 HB2 LYS A 128 10.142 1.133 -2.545 1.00 0.55 H new ATOM 0 HB3 LYS A 128 9.071 0.398 -3.721 1.00 0.55 H new ATOM 0 HG2 LYS A 128 10.922 1.237 -4.962 1.00 0.82 H new ATOM 0 HG3 LYS A 128 9.597 2.337 -5.284 1.00 0.82 H new ATOM 0 HD2 LYS A 128 11.431 3.767 -4.863 1.00 0.99 H new ATOM 0 HD3 LYS A 128 10.528 3.790 -3.361 1.00 0.99 H new ATOM 0 HE2 LYS A 128 12.046 2.034 -2.437 1.00 1.42 H new ATOM 0 HE3 LYS A 128 12.960 2.050 -3.932 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 13.913 3.413 -2.108 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 13.642 4.279 -3.544 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 12.580 4.457 -2.231 1.00 2.20 H new ATOM 2286 N MET A 129 7.190 3.718 -4.389 1.00 0.36 N ATOM 2287 CA MET A 129 6.293 4.090 -5.469 1.00 0.41 C ATOM 2288 C MET A 129 7.107 4.800 -6.537 1.00 0.35 C ATOM 2289 O MET A 129 7.784 5.783 -6.242 1.00 0.40 O ATOM 2290 CB MET A 129 5.188 5.006 -4.934 1.00 0.49 C ATOM 2291 CG MET A 129 4.576 4.511 -3.632 1.00 1.02 C ATOM 2292 SD MET A 129 3.774 5.815 -2.675 1.00 1.11 S ATOM 2293 CE MET A 129 2.331 6.152 -3.676 1.00 0.50 C ATOM 0 H MET A 129 7.696 4.501 -3.975 1.00 0.36 H new ATOM 0 HA MET A 129 5.820 3.205 -5.895 1.00 0.41 H new ATOM 0 HB2 MET A 129 5.596 6.005 -4.779 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.404 5.095 -5.686 1.00 0.49 H new ATOM 0 HG2 MET A 129 3.846 3.733 -3.855 1.00 1.02 H new ATOM 0 HG3 MET A 129 5.356 4.052 -3.024 1.00 1.02 H new ATOM 0 HE1 MET A 129 2.210 7.229 -3.789 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.455 5.695 -4.658 1.00 0.50 H new ATOM 0 HE3 MET A 129 1.447 5.737 -3.192 1.00 0.50 H new ATOM 2303 N SER A 130 7.083 4.295 -7.760 1.00 0.34 N ATOM 2304 CA SER A 130 7.908 4.868 -8.811 1.00 0.33 C ATOM 2305 C SER A 130 7.103 5.172 -10.066 1.00 0.33 C ATOM 2306 O SER A 130 6.356 4.329 -10.571 1.00 0.38 O ATOM 2307 CB SER A 130 9.081 3.942 -9.137 1.00 0.39 C ATOM 2308 OG SER A 130 8.649 2.603 -9.320 1.00 1.06 O ATOM 0 H SER A 130 6.510 3.501 -8.047 1.00 0.34 H new ATOM 0 HA SER A 130 8.298 5.815 -8.438 1.00 0.33 H new ATOM 0 HB2 SER A 130 9.582 4.291 -10.040 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.813 3.983 -8.331 1.00 0.39 H new ATOM 0 HG SER A 130 9.421 2.036 -9.529 1.00 1.06 H new ATOM 2314 N TRP A 131 7.260 6.394 -10.548 1.00 0.32 N ATOM 2315 CA TRP A 131 6.609 6.842 -11.766 1.00 0.34 C ATOM 2316 C TRP A 131 7.488 7.865 -12.459 1.00 0.34 C ATOM 2317 O TRP A 131 7.974 8.793 -11.820 1.00 0.33 O ATOM 2318 CB TRP A 131 5.249 7.456 -11.441 1.00 0.36 C ATOM 2319 CG TRP A 131 4.330 7.535 -12.622 1.00 0.39 C ATOM 2320 CD1 TRP A 131 4.137 8.606 -13.439 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.477 6.494 -13.117 1.00 0.47 C ATOM 2322 NE1 TRP A 131 3.218 8.302 -14.410 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.799 7.011 -14.237 1.00 0.54 C ATOM 2324 CE3 TRP A 131 3.223 5.179 -12.723 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 1.883 6.258 -14.965 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 2.315 4.433 -13.448 1.00 0.73 C ATOM 2327 CH2 TRP A 131 1.653 4.973 -14.558 1.00 0.76 C ATOM 0 H TRP A 131 7.843 7.103 -10.104 1.00 0.32 H new ATOM 0 HA TRP A 131 6.456 5.989 -12.427 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.771 6.867 -10.658 1.00 0.36 H new ATOM 0 HB3 TRP A 131 5.399 8.458 -11.040 1.00 0.36 H new ATOM 0 HD1 TRP A 131 4.636 9.558 -13.337 1.00 0.46 H new ATOM 0 HE1 TRP A 131 2.898 8.936 -15.143 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.727 4.753 -11.868 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 1.372 6.674 -15.821 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 2.111 3.414 -13.154 1.00 0.73 H new ATOM 0 HH2 TRP A 131 0.948 4.363 -15.103 1.00 0.76 H new ATOM 2338 N LYS A 132 7.697 7.682 -13.757 1.00 0.37 N ATOM 2339 CA LYS A 132 8.569 8.556 -14.542 1.00 0.40 C ATOM 2340 C LYS A 132 9.976 8.612 -13.945 1.00 0.39 C ATOM 2341 O LYS A 132 10.657 9.634 -14.020 1.00 0.42 O ATOM 2342 CB LYS A 132 7.989 9.972 -14.642 1.00 0.44 C ATOM 2343 CG LYS A 132 6.644 10.050 -15.352 1.00 0.68 C ATOM 2344 CD LYS A 132 6.742 9.575 -16.790 1.00 1.22 C ATOM 2345 CE LYS A 132 5.405 9.683 -17.504 1.00 1.43 C ATOM 2346 NZ LYS A 132 5.470 9.145 -18.888 1.00 1.96 N ATOM 0 H LYS A 132 7.270 6.928 -14.296 1.00 0.37 H new ATOM 0 HA LYS A 132 8.632 8.134 -15.545 1.00 0.40 H new ATOM 0 HB2 LYS A 132 7.880 10.379 -13.637 1.00 0.44 H new ATOM 0 HB3 LYS A 132 8.702 10.608 -15.168 1.00 0.44 H new ATOM 0 HG2 LYS A 132 5.914 9.443 -14.817 1.00 0.68 H new ATOM 0 HG3 LYS A 132 6.280 11.077 -15.332 1.00 0.68 H new ATOM 0 HD2 LYS A 132 7.488 10.167 -17.320 1.00 1.22 H new ATOM 0 HD3 LYS A 132 7.084 8.540 -16.810 1.00 1.22 H new ATOM 0 HE2 LYS A 132 4.647 9.141 -16.939 1.00 1.43 H new ATOM 0 HE3 LYS A 132 5.093 10.727 -17.535 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 4.538 9.237 -19.340 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 6.175 9.679 -19.435 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 5.742 8.142 -18.858 1.00 1.96 H new ATOM 2360 N GLY A 133 10.400 7.504 -13.352 1.00 0.40 N ATOM 2361 CA GLY A 133 11.709 7.441 -12.730 1.00 0.42 C ATOM 2362 C GLY A 133 11.705 7.950 -11.304 1.00 0.40 C ATOM 2363 O GLY A 133 12.663 7.736 -10.561 1.00 0.53 O ATOM 0 H GLY A 133 9.857 6.643 -13.290 1.00 0.40 H new ATOM 0 HA2 GLY A 133 12.063 6.410 -12.742 1.00 0.42 H new ATOM 0 HA3 GLY A 133 12.415 8.027 -13.318 1.00 0.42 H new ATOM 2367 N VAL A 134 10.627 8.616 -10.916 1.00 0.35 N ATOM 2368 CA VAL A 134 10.526 9.195 -9.587 1.00 0.34 C ATOM 2369 C VAL A 134 10.141 8.138 -8.571 1.00 0.36 C ATOM 2370 O VAL A 134 9.011 7.648 -8.578 1.00 0.40 O ATOM 2371 CB VAL A 134 9.477 10.323 -9.519 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.598 11.076 -8.206 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.601 11.266 -10.702 1.00 0.43 C ATOM 0 H VAL A 134 9.809 8.768 -11.505 1.00 0.35 H new ATOM 0 HA VAL A 134 11.508 9.609 -9.360 1.00 0.34 H new ATOM 0 HB VAL A 134 8.487 9.869 -9.568 1.00 0.38 H new ATOM 0 HG11 VAL A 134 8.851 11.869 -8.171 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.435 10.388 -7.376 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.594 11.511 -8.127 1.00 0.38 H new ATOM 0 HG21 VAL A 134 8.847 12.049 -10.623 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.594 11.717 -10.706 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.451 10.710 -11.628 1.00 0.43 H new ATOM 2383 N SER A 135 11.075 7.771 -7.714 1.00 0.38 N ATOM 2384 CA SER A 135 10.779 6.868 -6.627 1.00 0.42 C ATOM 2385 C SER A 135 10.537 7.637 -5.342 1.00 0.40 C ATOM 2386 O SER A 135 11.286 8.553 -4.998 1.00 0.51 O ATOM 2387 CB SER A 135 11.919 5.880 -6.433 1.00 0.50 C ATOM 2388 OG SER A 135 13.084 6.301 -7.123 1.00 1.14 O ATOM 0 H SER A 135 12.044 8.086 -7.753 1.00 0.38 H new ATOM 0 HA SER A 135 9.873 6.318 -6.880 1.00 0.42 H new ATOM 0 HB2 SER A 135 12.139 5.778 -5.370 1.00 0.50 H new ATOM 0 HB3 SER A 135 11.616 4.896 -6.791 1.00 0.50 H new ATOM 0 HG SER A 135 13.802 5.649 -6.980 1.00 1.14 H new ATOM 2394 N THR A 136 9.478 7.274 -4.658 1.00 0.35 N ATOM 2395 CA THR A 136 9.190 7.822 -3.350 1.00 0.34 C ATOM 2396 C THR A 136 9.116 6.692 -2.337 1.00 0.31 C ATOM 2397 O THR A 136 8.534 5.638 -2.605 1.00 0.34 O ATOM 2398 CB THR A 136 7.879 8.646 -3.342 1.00 0.38 C ATOM 2399 OG1 THR A 136 7.583 9.099 -2.016 1.00 0.40 O ATOM 2400 CG2 THR A 136 6.713 7.835 -3.869 1.00 0.39 C ATOM 0 H THR A 136 8.793 6.594 -4.989 1.00 0.35 H new ATOM 0 HA THR A 136 9.996 8.505 -3.082 1.00 0.34 H new ATOM 0 HB THR A 136 8.027 9.505 -3.997 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.314 9.666 -1.693 1.00 0.40 H new ATOM 0 HG21 THR A 136 5.809 8.443 -3.850 1.00 0.39 H new ATOM 0 HG22 THR A 136 6.919 7.524 -4.893 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.571 6.953 -3.244 1.00 0.39 H new ATOM 2408 N SER A 137 9.747 6.893 -1.194 1.00 0.33 N ATOM 2409 CA SER A 137 9.787 5.871 -0.169 1.00 0.32 C ATOM 2410 C SER A 137 9.004 6.323 1.053 1.00 0.31 C ATOM 2411 O SER A 137 9.377 7.288 1.720 1.00 0.40 O ATOM 2412 CB SER A 137 11.238 5.573 0.211 1.00 0.39 C ATOM 2413 OG SER A 137 12.050 5.477 -0.948 1.00 0.79 O ATOM 0 H SER A 137 10.238 7.754 -0.954 1.00 0.33 H new ATOM 0 HA SER A 137 9.330 4.961 -0.557 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.617 6.360 0.863 1.00 0.39 H new ATOM 0 HB3 SER A 137 11.288 4.641 0.774 1.00 0.39 H new ATOM 0 HG SER A 137 12.993 5.432 -0.684 1.00 0.79 H new ATOM 2419 N ARG A 138 7.903 5.644 1.327 1.00 0.35 N ATOM 2420 CA ARG A 138 7.102 5.962 2.493 1.00 0.44 C ATOM 2421 C ARG A 138 7.436 4.993 3.617 1.00 0.39 C ATOM 2422 O ARG A 138 7.331 3.777 3.453 1.00 0.43 O ATOM 2423 CB ARG A 138 5.607 5.916 2.168 1.00 0.63 C ATOM 2424 CG ARG A 138 5.227 6.677 0.906 1.00 1.08 C ATOM 2425 CD ARG A 138 3.767 7.103 0.924 1.00 0.88 C ATOM 2426 NE ARG A 138 3.554 8.283 1.767 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.356 8.756 2.106 1.00 1.07 C ATOM 2428 NH1 ARG A 138 1.255 8.105 1.749 1.00 1.84 N ATOM 2429 NH2 ARG A 138 2.266 9.874 2.817 1.00 1.63 N ATOM 0 H ARG A 138 7.546 4.874 0.761 1.00 0.35 H new ATOM 0 HA ARG A 138 7.337 6.978 2.811 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.301 4.876 2.059 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.049 6.326 3.010 1.00 0.63 H new ATOM 0 HG2 ARG A 138 5.862 7.558 0.807 1.00 1.08 H new ATOM 0 HG3 ARG A 138 5.413 6.051 0.034 1.00 1.08 H new ATOM 0 HD2 ARG A 138 3.439 7.319 -0.093 1.00 0.88 H new ATOM 0 HD3 ARG A 138 3.153 6.280 1.289 1.00 0.88 H new ATOM 0 HE ARG A 138 4.377 8.774 2.117 1.00 0.82 H new ATOM 0 HH11 ARG A 138 1.325 7.240 1.213 1.00 1.84 H new ATOM 0 HH12 ARG A 138 0.339 8.470 2.010 1.00 1.84 H new ATOM 0 HH21 ARG A 138 3.112 10.367 3.101 1.00 1.63 H new ATOM 0 HH22 ARG A 138 1.350 10.240 3.079 1.00 1.63 H new ATOM 2443 N TYR A 139 7.851 5.538 4.747 1.00 0.39 N ATOM 2444 CA TYR A 139 8.309 4.732 5.866 1.00 0.36 C ATOM 2445 C TYR A 139 7.195 4.539 6.883 1.00 0.34 C ATOM 2446 O TYR A 139 6.768 5.486 7.547 1.00 0.39 O ATOM 2447 CB TYR A 139 9.524 5.385 6.530 1.00 0.42 C ATOM 2448 CG TYR A 139 10.751 5.434 5.641 1.00 0.44 C ATOM 2449 CD1 TYR A 139 10.947 6.475 4.739 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.714 4.435 5.709 1.00 0.50 C ATOM 2451 CE1 TYR A 139 12.068 6.518 3.930 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.837 4.472 4.905 1.00 0.56 C ATOM 2453 CZ TYR A 139 13.009 5.512 4.018 1.00 0.56 C ATOM 2454 OH TYR A 139 14.128 5.549 3.217 1.00 0.64 O ATOM 0 H TYR A 139 7.880 6.544 4.915 1.00 0.39 H new ATOM 0 HA TYR A 139 8.600 3.753 5.485 1.00 0.36 H new ATOM 0 HB2 TYR A 139 9.262 6.400 6.829 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.767 4.837 7.440 1.00 0.42 H new ATOM 0 HD1 TYR A 139 10.211 7.263 4.669 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.583 3.617 6.401 1.00 0.50 H new ATOM 0 HE1 TYR A 139 12.206 7.333 3.235 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.577 3.688 4.972 1.00 0.56 H new ATOM 0 HH TYR A 139 14.690 4.768 3.404 1.00 0.64 H new ATOM 2464 N TYR A 140 6.727 3.310 6.989 1.00 0.29 N ATOM 2465 CA TYR A 140 5.670 2.960 7.918 1.00 0.27 C ATOM 2466 C TYR A 140 6.230 2.153 9.075 1.00 0.29 C ATOM 2467 O TYR A 140 6.979 1.206 8.872 1.00 0.37 O ATOM 2468 CB TYR A 140 4.583 2.139 7.213 1.00 0.27 C ATOM 2469 CG TYR A 140 3.775 2.918 6.206 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.539 3.459 6.538 1.00 0.39 C ATOM 2471 CD2 TYR A 140 4.250 3.109 4.919 1.00 0.45 C ATOM 2472 CE1 TYR A 140 1.798 4.164 5.609 1.00 0.48 C ATOM 2473 CE2 TYR A 140 3.520 3.815 3.988 1.00 0.52 C ATOM 2474 CZ TYR A 140 2.282 4.369 4.370 1.00 0.48 C ATOM 2475 OH TYR A 140 1.559 5.022 3.397 1.00 0.60 O ATOM 0 H TYR A 140 7.069 2.526 6.433 1.00 0.29 H new ATOM 0 HA TYR A 140 5.234 3.885 8.296 1.00 0.27 H new ATOM 0 HB2 TYR A 140 5.051 1.293 6.710 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.908 1.729 7.965 1.00 0.27 H new ATOM 0 HD1 TYR A 140 2.152 3.326 7.537 1.00 0.39 H new ATOM 0 HD2 TYR A 140 5.209 2.697 4.641 1.00 0.45 H new ATOM 0 HE1 TYR A 140 0.827 4.552 5.878 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.891 3.942 2.982 1.00 0.52 H new ATOM 0 HH TYR A 140 1.718 4.595 2.529 1.00 0.60 H new ATOM 2485 N LYS A 141 5.869 2.521 10.283 1.00 0.37 N ATOM 2486 CA LYS A 141 6.219 1.725 11.440 1.00 0.48 C ATOM 2487 C LYS A 141 4.972 1.001 11.886 1.00 0.45 C ATOM 2488 O LYS A 141 3.905 1.303 11.388 1.00 0.54 O ATOM 2489 CB LYS A 141 6.739 2.584 12.572 1.00 0.69 C ATOM 2490 CG LYS A 141 5.703 3.522 13.137 1.00 0.72 C ATOM 2491 CD LYS A 141 6.041 3.876 14.560 1.00 0.97 C ATOM 2492 CE LYS A 141 7.465 4.379 14.656 1.00 1.45 C ATOM 2493 NZ LYS A 141 7.847 4.708 16.054 1.00 1.92 N ATOM 0 H LYS A 141 5.334 3.364 10.491 1.00 0.37 H new ATOM 0 HA LYS A 141 7.012 1.027 11.173 1.00 0.48 H new ATOM 0 HB2 LYS A 141 7.106 1.938 13.369 1.00 0.69 H new ATOM 0 HB3 LYS A 141 7.589 3.166 12.216 1.00 0.69 H new ATOM 0 HG2 LYS A 141 5.653 4.427 12.532 1.00 0.72 H new ATOM 0 HG3 LYS A 141 4.719 3.056 13.095 1.00 0.72 H new ATOM 0 HD2 LYS A 141 5.354 4.640 14.924 1.00 0.97 H new ATOM 0 HD3 LYS A 141 5.914 3.002 15.199 1.00 0.97 H new ATOM 0 HE2 LYS A 141 8.144 3.622 14.263 1.00 1.45 H new ATOM 0 HE3 LYS A 141 7.579 5.265 14.031 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 8.829 5.049 16.074 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 7.216 5.449 16.421 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 7.763 3.857 16.646 1.00 1.92 H new ATOM 2507 N LYS A 142 5.085 0.044 12.783 1.00 0.44 N ATOM 2508 CA LYS A 142 3.890 -0.557 13.371 1.00 0.43 C ATOM 2509 C LYS A 142 3.030 0.485 14.095 1.00 0.36 C ATOM 2510 O LYS A 142 3.296 1.688 14.058 1.00 0.34 O ATOM 2511 CB LYS A 142 4.265 -1.665 14.357 1.00 0.54 C ATOM 2512 CG LYS A 142 4.965 -2.855 13.725 1.00 0.87 C ATOM 2513 CD LYS A 142 4.119 -3.513 12.642 1.00 1.30 C ATOM 2514 CE LYS A 142 2.823 -4.081 13.199 1.00 1.43 C ATOM 2515 NZ LYS A 142 3.068 -5.169 14.178 1.00 2.13 N ATOM 0 H LYS A 142 5.970 -0.334 13.121 1.00 0.44 H new ATOM 0 HA LYS A 142 3.312 -0.979 12.549 1.00 0.43 H new ATOM 0 HB2 LYS A 142 4.912 -1.246 15.128 1.00 0.54 H new ATOM 0 HB3 LYS A 142 3.360 -2.013 14.855 1.00 0.54 H new ATOM 0 HG2 LYS A 142 5.913 -2.531 13.296 1.00 0.87 H new ATOM 0 HG3 LYS A 142 5.199 -3.589 14.497 1.00 0.87 H new ATOM 0 HD2 LYS A 142 3.891 -2.782 11.866 1.00 1.30 H new ATOM 0 HD3 LYS A 142 4.691 -4.311 12.170 1.00 1.30 H new ATOM 0 HE2 LYS A 142 2.254 -3.284 13.678 1.00 1.43 H new ATOM 0 HE3 LYS A 142 2.212 -4.461 12.380 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 2.172 -5.652 14.392 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 3.742 -5.852 13.777 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 3.462 -4.767 15.052 1.00 2.13 H new ATOM 2529 N GLN A 143 1.921 0.026 14.631 1.00 0.44 N ATOM 2530 CA GLN A 143 1.240 0.757 15.683 1.00 0.53 C ATOM 2531 C GLN A 143 1.769 0.309 17.040 1.00 0.68 C ATOM 2532 O GLN A 143 1.311 -0.738 17.543 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.275 0.539 15.612 1.00 0.55 C ATOM 2534 CG GLN A 143 -0.944 1.173 14.402 1.00 0.63 C ATOM 2535 CD GLN A 143 -1.285 2.643 14.590 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -0.478 3.359 15.354 1.00 1.34 O flip ATOM 2537 NE2 GLN A 143 -2.267 3.134 14.033 1.00 1.28 N flip ATOM 2538 OXT GLN A 143 2.661 0.991 17.582 1.00 1.19 O ATOM 0 H GLN A 143 1.470 -0.848 14.359 1.00 0.44 H new ATOM 0 HA GLN A 143 1.435 1.821 15.548 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -0.476 -0.532 15.603 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -0.731 0.942 16.517 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -0.286 1.070 13.539 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -1.858 0.624 14.174 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -2.868 2.551 13.451 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -2.480 4.124 14.154 1.00 1.28 H new TER 2547 GLN A 143 HETATM 2548 C1 OLA A1001 0.084 3.979 0.299 1.00 0.86 C HETATM 2549 O1 OLA A1001 -0.604 2.943 0.220 1.00 1.40 O HETATM 2550 O2 OLA A1001 0.892 4.170 1.226 1.00 1.48 O HETATM 2551 C2 OLA A1001 -0.088 5.051 -0.753 1.00 0.78 C HETATM 2552 C3 OLA A1001 -0.928 6.212 -0.262 1.00 1.13 C HETATM 2553 C4 OLA A1001 -1.169 7.207 -1.376 1.00 1.05 C HETATM 2554 C5 OLA A1001 -1.856 8.466 -0.881 1.00 1.15 C HETATM 2555 C6 OLA A1001 -3.196 8.169 -0.229 1.00 1.18 C HETATM 2556 C7 OLA A1001 -4.024 9.434 -0.089 1.00 1.02 C HETATM 2557 C8 OLA A1001 -4.593 9.871 -1.431 1.00 0.99 C HETATM 2558 C9 OLA A1001 -5.143 11.261 -1.462 1.00 0.72 C HETATM 2559 C10 OLA A1001 -6.194 11.659 -2.135 1.00 0.75 C HETATM 2560 C11 OLA A1001 -7.067 10.800 -3.009 1.00 0.92 C HETATM 2561 C12 OLA A1001 -6.823 10.929 -4.507 1.00 0.77 C HETATM 2562 C13 OLA A1001 -5.457 10.406 -4.910 1.00 0.76 C HETATM 2563 C14 OLA A1001 -5.402 8.888 -4.836 1.00 0.88 C HETATM 2564 C15 OLA A1001 -4.068 8.350 -5.314 1.00 0.70 C HETATM 2565 C16 OLA A1001 -2.920 8.966 -4.544 1.00 0.59 C HETATM 2566 C17 OLA A1001 -1.585 8.412 -4.985 1.00 0.57 C HETATM 2567 C18 OLA A1001 -0.433 9.036 -4.247 1.00 0.40 C HETATM 0 H183 OLA A1001 -0.426 10.111 -4.425 1.00 0.40 H new HETATM 0 H182 OLA A1001 -0.539 8.846 -3.179 1.00 0.40 H new HETATM 0 H181 OLA A1001 0.503 8.604 -4.601 1.00 0.40 H new HETATM 0 H172 OLA A1001 -1.572 7.334 -4.827 1.00 0.57 H new HETATM 0 H171 OLA A1001 -1.461 8.579 -6.055 1.00 0.57 H new HETATM 0 H162 OLA A1001 -2.928 10.047 -4.683 1.00 0.59 H new HETATM 0 H161 OLA A1001 -3.056 8.780 -3.479 1.00 0.59 H new HETATM 0 H152 OLA A1001 -4.047 7.266 -5.197 1.00 0.70 H new HETATM 0 H151 OLA A1001 -3.949 8.558 -6.377 1.00 0.70 H new HETATM 0 H142 OLA A1001 -5.576 8.567 -3.809 1.00 0.88 H new HETATM 0 H141 OLA A1001 -6.203 8.465 -5.442 1.00 0.88 H new HETATM 0 H132 OLA A1001 -5.226 10.731 -5.924 1.00 0.76 H new HETATM 0 H131 OLA A1001 -4.695 10.832 -4.257 1.00 0.76 H new HETATM 0 H122 OLA A1001 -7.595 10.381 -5.048 1.00 0.77 H new HETATM 0 H121 OLA A1001 -6.911 11.975 -4.799 1.00 0.77 H new HETATM 0 H112 OLA A1001 -6.924 9.758 -2.724 1.00 0.92 H new HETATM 0 H111 OLA A1001 -8.109 11.046 -2.806 1.00 0.92 H new HETATM 0 H9 OLA A1001 -4.621 12.013 -0.870 1.00 0.72 H new HETATM 0 H82 OLA A1001 -3.810 9.790 -2.185 1.00 0.99 H new HETATM 0 H81 OLA A1001 -5.384 9.177 -1.717 1.00 0.99 H new HETATM 0 H72 OLA A1001 -4.838 9.263 0.616 1.00 1.02 H new HETATM 0 H71 OLA A1001 -3.407 10.232 0.324 1.00 1.02 H new HETATM 0 H62 OLA A1001 -3.741 7.437 -0.826 1.00 1.18 H new HETATM 0 H61 OLA A1001 -3.036 7.724 0.753 1.00 1.18 H new HETATM 0 H52 OLA A1001 -1.210 8.973 -0.165 1.00 1.15 H new HETATM 0 H51 OLA A1001 -2.004 9.150 -1.717 1.00 1.15 H new HETATM 0 H42 OLA A1001 -0.217 7.472 -1.837 1.00 1.05 H new HETATM 0 H41 OLA A1001 -1.780 6.742 -2.150 1.00 1.05 H new HETATM 0 H32 OLA A1001 -1.882 5.843 0.115 1.00 1.13 H new HETATM 0 H31 OLA A1001 -0.425 6.705 0.570 1.00 1.13 H new HETATM 0 H22 OLA A1001 0.892 5.418 -1.057 1.00 0.78 H new HETATM 0 H21 OLA A1001 -0.554 4.617 -1.637 1.00 0.78 H new HETATM 0 H10 OLA A1001 -6.462 12.713 -2.054 1.00 0.75 H new