USER MOD reduce.3.24.130724 H: found=0, std=0, add=1176, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1168 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 Set 1.1: A 115 GLN : amide:sc= -0.534 K(o=-0.64,f=-13!) USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= -0.103 USER MOD Set 2.1: A 92 LYS NZ :NH3+ -117:sc= 1.14 (180deg=-0.419) USER MOD Set 2.2: A 103 ASN : amide:sc= -1.46 X(o=-0.31,f=-0.074) USER MOD Set 3.1: A 98 ASN : amide:sc= 1.01 K(o=-0.95,f=-3.7) USER MOD Set 3.2: A 100 ASN : amide:sc= -1.96! C(o=-0.95!,f=-4.7!) USER MOD Set 4.1: A 52 SER OG : rot 180:sc= -2.04! USER MOD Set 4.2: A 57 ASN : amide:sc= -0.368 X(o=-2.4,f=-2.4) USER MOD Set 5.1: A 13 ASN :FLIP amide:sc= -0.543 F(o=-5.7!,f=-0.54) USER MOD Set 5.2: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 120:sc= -1.02 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.937 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 THR OG1 : rot 180:sc= 0 USER MOD Single : A -4 HIS :FLIP no HD1:sc= -0.0937 F(o=-0.67,f=-0.094) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.43) USER MOD Single : A -7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -8 HIS : no HD1:sc= 0.007 X(o=0.007,f=-0.36) USER MOD Single : A -9 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.11) USER MOD Single : A 11 SER OG : rot -15:sc= -0.699 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 164:sc= -1.3 (180deg=-1.97) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= -0.38! (180deg=-0.67!) USER MOD Single : A 21 MET CE :methyl -126:sc= -1.22 (180deg=-5.98!) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.803 F(o=-1.4,f=-0.8) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.028) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -1.39 (180deg=-2.29!) USER MOD Single : A 33 HIS :FLIP no HE2:sc= 0.122 F(o=-0.6,f=0.12) USER MOD Single : A 35 ASN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.11) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 43:sc= 0.686 USER MOD Single : A 42 GLN : amide:sc= -0.979 X(o=-0.98,f=-1.1) USER MOD Single : A 45 ASN : amide:sc= -0.607 X(o=-0.61,f=-1.1) USER MOD Single : A 46 LYS NZ :NH3+ 159:sc= 1.33 (180deg=0.929) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 155:sc= 1.25 (180deg=0.806) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.443 F(o=-1.6,f=-0.44) USER MOD Single : A 70 TYR OH : rot 180:sc= 0.626 USER MOD Single : A 71 ASN : amide:sc= -0.852 K(o=-0.85,f=-1.7!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 130:sc= -3.35! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= -0.957 (180deg=-1.99) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -44:sc= 0.00473 USER MOD Single : A -10 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 145:sc= 1.49 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -137:sc= 1.24 (180deg=-0.29) USER MOD Single : A 129 LYS NZ :NH3+ -163:sc= 0.493 (180deg=0.107) USER MOD Single : A 130 LYS NZ :NH3+ -129:sc= 0.404 (180deg=-0.0522) USER MOD Single : A 201 OLA O2 : rot -110:sc= 0.668 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -10 -40.953 15.764 1.982 1.00 41.55 N ATOM 2 CA ALA A -10 -39.529 15.345 1.873 1.00 62.53 C ATOM 3 C ALA A -10 -39.381 13.831 2.066 1.00 64.32 C ATOM 4 O ALA A -10 -39.385 13.337 3.196 1.00 33.34 O ATOM 5 CB ALA A -10 -38.675 16.099 2.885 1.00 3.13 C ATOM 0 H1 ALA A -10 -41.023 16.793 1.847 1.00 41.55 H new ATOM 0 H2 ALA A -10 -41.514 15.280 1.252 1.00 41.55 H new ATOM 0 H3 ALA A -10 -41.318 15.512 2.923 1.00 41.55 H new ATOM 0 HA ALA A -10 -39.181 15.590 0.870 1.00 62.53 H new ATOM 0 HB1 ALA A -10 -37.636 15.782 2.793 1.00 3.13 H new ATOM 0 HB2 ALA A -10 -38.745 17.170 2.694 1.00 3.13 H new ATOM 0 HB3 ALA A -10 -39.032 15.886 3.893 1.00 3.13 H new ATOM 13 N HIS A -9 -39.254 13.100 0.953 1.00 45.23 N ATOM 14 CA HIS A -9 -39.106 11.640 0.992 1.00 2.01 C ATOM 15 C HIS A -9 -38.536 11.104 -0.329 1.00 13.41 C ATOM 16 O HIS A -9 -38.623 11.767 -1.366 1.00 33.13 O ATOM 17 CB HIS A -9 -40.457 10.976 1.283 1.00 1.42 C ATOM 18 CG HIS A -9 -40.345 9.538 1.688 1.00 0.42 C ATOM 19 ND1 HIS A -9 -40.741 8.496 0.877 1.00 24.23 N ATOM 20 CD2 HIS A -9 -39.874 8.968 2.823 1.00 41.32 C ATOM 21 CE1 HIS A -9 -40.521 7.349 1.493 1.00 41.11 C ATOM 22 NE2 HIS A -9 -39.994 7.607 2.676 1.00 52.35 N ATOM 0 H HIS A -9 -39.251 13.496 0.013 1.00 45.23 H new ATOM 0 HA HIS A -9 -38.406 11.397 1.791 1.00 2.01 H new ATOM 0 HB2 HIS A -9 -40.961 11.529 2.075 1.00 1.42 H new ATOM 0 HB3 HIS A -9 -41.086 11.047 0.395 1.00 1.42 H new ATOM 0 HD2 HIS A -9 -39.478 9.487 3.683 1.00 41.32 H new ATOM 0 HE1 HIS A -9 -40.735 6.367 1.097 1.00 41.11 H new ATOM 0 HE2 HIS A -9 -39.720 6.909 3.368 1.00 52.35 H new ATOM 30 N HIS A -8 -37.952 9.900 -0.281 1.00 40.01 N ATOM 31 CA HIS A -8 -37.364 9.268 -1.469 1.00 51.32 C ATOM 32 C HIS A -8 -36.974 7.810 -1.185 1.00 0.25 C ATOM 33 O HIS A -8 -36.963 7.382 -0.029 1.00 72.14 O ATOM 34 CB HIS A -8 -36.136 10.059 -1.933 1.00 4.02 C ATOM 35 CG HIS A -8 -36.010 10.150 -3.422 1.00 40.21 C ATOM 36 ND1 HIS A -8 -35.291 9.245 -4.172 1.00 71.21 N ATOM 37 CD2 HIS A -8 -36.521 11.042 -4.303 1.00 25.15 C ATOM 38 CE1 HIS A -8 -35.363 9.574 -5.448 1.00 13.51 C ATOM 39 NE2 HIS A -8 -36.105 10.661 -5.555 1.00 4.00 N ATOM 0 H HIS A -8 -37.874 9.343 0.570 1.00 40.01 H new ATOM 0 HA HIS A -8 -38.114 9.271 -2.260 1.00 51.32 H new ATOM 0 HB2 HIS A -8 -36.185 11.066 -1.519 1.00 4.02 H new ATOM 0 HB3 HIS A -8 -35.238 9.591 -1.529 1.00 4.02 H new ATOM 0 HD2 HIS A -8 -37.140 11.894 -4.065 1.00 25.15 H new ATOM 0 HE1 HIS A -8 -34.895 9.045 -6.265 1.00 13.51 H new ATOM 0 HE2 HIS A -8 -36.332 11.140 -6.426 1.00 4.00 H new ATOM 47 N HIS A -7 -36.655 7.050 -2.244 1.00 0.41 N ATOM 48 CA HIS A -7 -36.270 5.640 -2.094 1.00 40.03 C ATOM 49 C HIS A -7 -35.488 5.123 -3.310 1.00 23.34 C ATOM 50 O HIS A -7 -35.666 5.610 -4.428 1.00 75.22 O ATOM 51 CB HIS A -7 -37.514 4.774 -1.875 1.00 41.13 C ATOM 52 CG HIS A -7 -37.586 4.165 -0.509 1.00 34.40 C ATOM 53 ND1 HIS A -7 -36.765 3.138 -0.099 1.00 44.42 N ATOM 54 CD2 HIS A -7 -38.388 4.445 0.545 1.00 34.13 C ATOM 55 CE1 HIS A -7 -37.056 2.811 1.147 1.00 32.30 C ATOM 56 NE2 HIS A -7 -38.038 3.590 1.563 1.00 25.31 N ATOM 0 H HIS A -7 -36.656 7.386 -3.207 1.00 0.41 H new ATOM 0 HA HIS A -7 -35.616 5.573 -1.225 1.00 40.03 H new ATOM 0 HB2 HIS A -7 -38.404 5.382 -2.040 1.00 41.13 H new ATOM 0 HB3 HIS A -7 -37.529 3.978 -2.620 1.00 41.13 H new ATOM 0 HD2 HIS A -7 -39.160 5.200 0.580 1.00 34.13 H new ATOM 0 HE1 HIS A -7 -36.573 2.038 1.727 1.00 32.30 H new ATOM 0 HE2 HIS A -7 -38.467 3.562 2.488 1.00 25.31 H new ATOM 64 N HIS A -6 -34.627 4.122 -3.073 1.00 12.01 N ATOM 65 CA HIS A -6 -33.810 3.511 -4.133 1.00 45.03 C ATOM 66 C HIS A -6 -33.060 2.282 -3.598 1.00 51.21 C ATOM 67 O HIS A -6 -32.853 2.156 -2.388 1.00 55.12 O ATOM 68 CB HIS A -6 -32.811 4.531 -4.697 1.00 74.24 C ATOM 69 CG HIS A -6 -31.905 3.967 -5.748 1.00 31.35 C ATOM 70 ND1 HIS A -6 -32.350 3.568 -6.989 1.00 4.01 N ATOM 71 CD2 HIS A -6 -30.571 3.726 -5.735 1.00 21.22 C ATOM 72 CE1 HIS A -6 -31.334 3.105 -7.695 1.00 11.51 C ATOM 73 NE2 HIS A -6 -30.243 3.190 -6.957 1.00 13.40 N ATOM 0 H HIS A -6 -34.478 3.716 -2.149 1.00 12.01 H new ATOM 0 HA HIS A -6 -34.477 3.192 -4.934 1.00 45.03 H new ATOM 0 HB2 HIS A -6 -33.362 5.372 -5.118 1.00 74.24 H new ATOM 0 HB3 HIS A -6 -32.205 4.924 -3.880 1.00 74.24 H new ATOM 0 HD2 HIS A -6 -29.893 3.919 -4.917 1.00 21.22 H new ATOM 0 HE1 HIS A -6 -31.387 2.722 -8.704 1.00 11.51 H new ATOM 0 HE2 HIS A -6 -29.308 2.904 -7.247 1.00 13.40 H new ATOM 81 N HIS A -5 -32.657 1.374 -4.498 1.00 52.33 N ATOM 82 CA HIS A -5 -31.937 0.163 -4.090 1.00 44.14 C ATOM 83 C HIS A -5 -30.926 -0.302 -5.148 1.00 21.10 C ATOM 84 O HIS A -5 -31.120 -0.088 -6.346 1.00 13.21 O ATOM 85 CB HIS A -5 -32.929 -0.965 -3.791 1.00 0.53 C ATOM 86 CG HIS A -5 -32.578 -1.755 -2.570 1.00 51.34 C ATOM 87 ND1 HIS A -5 -31.839 -2.917 -2.613 1.00 31.44 N ATOM 88 CD2 HIS A -5 -32.861 -1.542 -1.262 1.00 3.01 C ATOM 89 CE1 HIS A -5 -31.684 -3.386 -1.389 1.00 33.22 C ATOM 90 NE2 HIS A -5 -32.294 -2.570 -0.550 1.00 63.34 N ATOM 0 H HIS A -5 -32.816 1.455 -5.502 1.00 52.33 H new ATOM 0 HA HIS A -5 -31.377 0.412 -3.189 1.00 44.14 H new ATOM 0 HB2 HIS A -5 -33.925 -0.540 -3.666 1.00 0.53 H new ATOM 0 HB3 HIS A -5 -32.974 -1.636 -4.649 1.00 0.53 H new ATOM 0 HD2 HIS A -5 -33.427 -0.717 -0.855 1.00 3.01 H new ATOM 0 HE1 HIS A -5 -31.149 -4.285 -1.120 1.00 33.22 H new ATOM 0 HE2 HIS A -5 -32.337 -2.684 0.463 1.00 63.34 H new ATOM 98 N HIS A -4 -29.853 -0.954 -4.677 1.00 60.22 N ATOM 99 CA HIS A -4 -28.791 -1.484 -5.545 1.00 43.42 C ATOM 100 C HIS A -4 -27.733 -2.227 -4.712 1.00 73.41 C ATOM 101 O HIS A -4 -27.896 -2.388 -3.501 1.00 45.34 O ATOM 102 CB HIS A -4 -28.137 -0.366 -6.371 1.00 61.51 C ATOM 103 CG HIS A -4 -27.597 0.772 -5.559 1.00 42.01 C ATOM 104 ND1 HIS A -4 -28.168 1.523 -4.585 1.00 32.30 N flip ATOM 105 CD2 HIS A -4 -26.322 1.267 -5.719 1.00 44.41 C flip ATOM 106 CE1 HIS A -4 -27.234 2.446 -4.182 1.00 62.32 C flip ATOM 107 NE2 HIS A -4 -26.129 2.269 -4.881 1.00 43.04 N flip ATOM 0 H HIS A -4 -29.697 -1.129 -3.684 1.00 60.22 H new ATOM 0 HA HIS A -4 -29.248 -2.190 -6.238 1.00 43.42 H new ATOM 0 HB2 HIS A -4 -27.325 -0.794 -6.959 1.00 61.51 H new ATOM 0 HB3 HIS A -4 -28.871 0.024 -7.077 1.00 61.51 H new ATOM 0 HD2 HIS A -4 -25.592 0.893 -6.422 1.00 44.41 H new ATOM 0 HE1 HIS A -4 -27.380 3.195 -3.417 1.00 62.32 H new ATOM 0 HE2 HIS A -4 -25.271 2.814 -4.790 1.00 43.04 H new ATOM 115 N VAL A -3 -26.658 -2.696 -5.364 1.00 42.54 N ATOM 116 CA VAL A -3 -25.597 -3.442 -4.669 1.00 0.43 C ATOM 117 C VAL A -3 -24.204 -3.143 -5.249 1.00 41.01 C ATOM 118 O VAL A -3 -24.075 -2.791 -6.422 1.00 53.33 O ATOM 119 CB VAL A -3 -25.866 -4.964 -4.753 1.00 20.50 C ATOM 120 CG1 VAL A -3 -24.711 -5.768 -4.172 1.00 1.30 C ATOM 121 CG2 VAL A -3 -27.168 -5.318 -4.049 1.00 12.22 C ATOM 0 H VAL A -3 -26.501 -2.573 -6.364 1.00 42.54 H new ATOM 0 HA VAL A -3 -25.609 -3.117 -3.629 1.00 0.43 H new ATOM 0 HB VAL A -3 -25.956 -5.225 -5.807 1.00 20.50 H new ATOM 0 HG11 VAL A -3 -24.934 -6.832 -4.248 1.00 1.30 H new ATOM 0 HG12 VAL A -3 -23.799 -5.548 -4.727 1.00 1.30 H new ATOM 0 HG13 VAL A -3 -24.572 -5.500 -3.125 1.00 1.30 H new ATOM 0 HG21 VAL A -3 -27.339 -6.392 -4.119 1.00 12.22 H new ATOM 0 HG22 VAL A -3 -27.105 -5.028 -3.000 1.00 12.22 H new ATOM 0 HG23 VAL A -3 -27.994 -4.787 -4.523 1.00 12.22 H new ATOM 131 N GLY A -2 -23.163 -3.301 -4.415 1.00 51.43 N ATOM 132 CA GLY A -2 -21.796 -3.063 -4.852 1.00 1.55 C ATOM 133 C GLY A -2 -20.873 -4.222 -4.498 1.00 54.31 C ATOM 134 O GLY A -2 -21.307 -5.375 -4.506 1.00 13.10 O ATOM 0 H GLY A -2 -23.251 -3.591 -3.441 1.00 51.43 H new ATOM 0 HA2 GLY A -2 -21.783 -2.905 -5.930 1.00 1.55 H new ATOM 0 HA3 GLY A -2 -21.422 -2.148 -4.392 1.00 1.55 H new ATOM 138 N THR A -1 -19.606 -3.901 -4.176 1.00 4.01 N ATOM 139 CA THR A -1 -18.580 -4.889 -3.800 1.00 63.24 C ATOM 140 C THR A -1 -17.187 -4.444 -4.270 1.00 75.34 C ATOM 141 O THR A -1 -16.891 -4.453 -5.467 1.00 13.20 O ATOM 142 CB THR A -1 -18.877 -6.291 -4.365 1.00 5.43 C ATOM 143 OG1 THR A -1 -17.879 -7.213 -3.966 1.00 71.24 O ATOM 144 CG2 THR A -1 -18.954 -6.334 -5.876 1.00 73.13 C ATOM 0 H THR A -1 -19.264 -2.940 -4.170 1.00 4.01 H new ATOM 0 HA THR A -1 -18.601 -4.948 -2.712 1.00 63.24 H new ATOM 0 HB THR A -1 -19.854 -6.557 -3.961 1.00 5.43 H new ATOM 0 HG1 THR A -1 -18.086 -8.098 -4.333 1.00 71.24 H new ATOM 0 HG21 THR A -1 -19.166 -7.353 -6.201 1.00 73.13 H new ATOM 0 HG22 THR A -1 -19.749 -5.671 -6.219 1.00 73.13 H new ATOM 0 HG23 THR A -1 -18.003 -6.009 -6.298 1.00 73.13 H new ATOM 152 N GLN A 0 -16.337 -4.067 -3.316 1.00 60.44 N ATOM 153 CA GLN A 0 -14.960 -3.635 -3.618 1.00 61.24 C ATOM 154 C GLN A 0 -14.121 -4.813 -4.134 1.00 12.20 C ATOM 155 O GLN A 0 -14.547 -5.966 -4.056 1.00 22.10 O ATOM 156 CB GLN A 0 -14.292 -3.022 -2.379 1.00 71.13 C ATOM 157 CG GLN A 0 -14.820 -1.641 -2.011 1.00 5.53 C ATOM 158 CD GLN A 0 -14.916 -1.435 -0.511 1.00 15.54 C ATOM 159 OE1 GLN A 0 -16.008 -1.278 0.036 1.00 60.43 O ATOM 160 NE2 GLN A 0 -13.769 -1.436 0.164 1.00 54.33 N ATOM 0 H GLN A 0 -16.572 -4.050 -2.324 1.00 60.44 H new ATOM 0 HA GLN A 0 -15.015 -2.874 -4.396 1.00 61.24 H new ATOM 0 HB2 GLN A 0 -14.436 -3.693 -1.532 1.00 71.13 H new ATOM 0 HB3 GLN A 0 -13.218 -2.955 -2.553 1.00 71.13 H new ATOM 0 HG2 GLN A 0 -14.166 -0.880 -2.438 1.00 5.53 H new ATOM 0 HG3 GLN A 0 -15.805 -1.502 -2.457 1.00 5.53 H new ATOM 0 HE21 GLN A 0 -12.887 -1.570 -0.330 1.00 54.33 H new ATOM 0 HE22 GLN A 0 -13.772 -1.303 1.175 1.00 54.33 H new ATOM 169 N ALA A 1 -12.934 -4.516 -4.675 1.00 1.21 N ATOM 170 CA ALA A 1 -12.053 -5.558 -5.219 1.00 51.03 C ATOM 171 C ALA A 1 -10.791 -5.773 -4.383 1.00 53.42 C ATOM 172 O ALA A 1 -10.408 -6.912 -4.111 1.00 62.43 O ATOM 173 CB ALA A 1 -11.655 -5.215 -6.652 1.00 43.55 C ATOM 0 H ALA A 1 -12.562 -3.569 -4.748 1.00 1.21 H new ATOM 0 HA ALA A 1 -12.623 -6.487 -5.193 1.00 51.03 H new ATOM 0 HB1 ALA A 1 -11.002 -5.994 -7.045 1.00 43.55 H new ATOM 0 HB2 ALA A 1 -12.549 -5.145 -7.271 1.00 43.55 H new ATOM 0 HB3 ALA A 1 -11.129 -4.260 -6.665 1.00 43.55 H new ATOM 179 N PHE A 2 -10.124 -4.679 -4.021 1.00 12.32 N ATOM 180 CA PHE A 2 -8.867 -4.751 -3.264 1.00 61.12 C ATOM 181 C PHE A 2 -9.054 -5.133 -1.790 1.00 42.03 C ATOM 182 O PHE A 2 -8.097 -5.569 -1.149 1.00 2.02 O ATOM 183 CB PHE A 2 -8.112 -3.422 -3.366 1.00 20.43 C ATOM 184 CG PHE A 2 -7.514 -3.174 -4.727 1.00 25.30 C ATOM 185 CD1 PHE A 2 -8.310 -2.771 -5.789 1.00 54.23 C ATOM 186 CD2 PHE A 2 -6.157 -3.347 -4.944 1.00 43.11 C ATOM 187 CE1 PHE A 2 -7.763 -2.546 -7.038 1.00 4.22 C ATOM 188 CE2 PHE A 2 -5.605 -3.124 -6.192 1.00 23.22 C ATOM 189 CZ PHE A 2 -6.409 -2.723 -7.240 1.00 35.41 C ATOM 0 H PHE A 2 -10.429 -3.730 -4.238 1.00 12.32 H new ATOM 0 HA PHE A 2 -8.285 -5.553 -3.719 1.00 61.12 H new ATOM 0 HB2 PHE A 2 -8.793 -2.607 -3.123 1.00 20.43 H new ATOM 0 HB3 PHE A 2 -7.317 -3.406 -2.620 1.00 20.43 H new ATOM 0 HD1 PHE A 2 -9.370 -2.631 -5.638 1.00 54.23 H new ATOM 0 HD2 PHE A 2 -5.522 -3.660 -4.128 1.00 43.11 H new ATOM 0 HE1 PHE A 2 -8.395 -2.232 -7.856 1.00 4.22 H new ATOM 0 HE2 PHE A 2 -4.545 -3.263 -6.347 1.00 23.22 H new ATOM 0 HZ PHE A 2 -5.980 -2.548 -8.215 1.00 35.41 H new ATOM 199 N ASP A 3 -10.265 -4.971 -1.251 1.00 52.44 N ATOM 200 CA ASP A 3 -10.539 -5.303 0.150 1.00 71.12 C ATOM 201 C ASP A 3 -10.445 -6.818 0.388 1.00 12.10 C ATOM 202 O ASP A 3 -11.459 -7.515 0.440 1.00 13.51 O ATOM 203 CB ASP A 3 -11.923 -4.767 0.554 1.00 72.23 C ATOM 204 CG ASP A 3 -13.073 -5.516 -0.097 1.00 2.24 C ATOM 205 OD1 ASP A 3 -13.094 -5.613 -1.342 1.00 42.25 O ATOM 206 OD2 ASP A 3 -13.952 -6.008 0.641 1.00 51.42 O ATOM 0 H ASP A 3 -11.071 -4.612 -1.763 1.00 52.44 H new ATOM 0 HA ASP A 3 -9.783 -4.826 0.774 1.00 71.12 H new ATOM 0 HB2 ASP A 3 -12.026 -4.828 1.637 1.00 72.23 H new ATOM 0 HB3 ASP A 3 -11.988 -3.712 0.287 1.00 72.23 H new ATOM 211 N SER A 4 -9.219 -7.335 0.516 1.00 65.31 N ATOM 212 CA SER A 4 -9.018 -8.767 0.729 1.00 13.01 C ATOM 213 C SER A 4 -7.793 -9.043 1.603 1.00 4.51 C ATOM 214 O SER A 4 -7.230 -8.132 2.212 1.00 13.23 O ATOM 215 CB SER A 4 -8.887 -9.481 -0.623 1.00 23.22 C ATOM 216 OG SER A 4 -9.845 -10.520 -0.750 1.00 34.23 O ATOM 0 H SER A 4 -8.360 -6.787 0.476 1.00 65.31 H new ATOM 0 HA SER A 4 -9.888 -9.155 1.258 1.00 13.01 H new ATOM 0 HB2 SER A 4 -9.018 -8.762 -1.431 1.00 23.22 H new ATOM 0 HB3 SER A 4 -7.883 -9.894 -0.723 1.00 23.22 H new ATOM 0 HG SER A 4 -10.421 -10.341 -1.522 1.00 34.23 H new ATOM 222 N THR A 5 -7.374 -10.310 1.636 1.00 11.40 N ATOM 223 CA THR A 5 -6.204 -10.725 2.404 1.00 54.54 C ATOM 224 C THR A 5 -5.220 -11.454 1.488 1.00 53.03 C ATOM 225 O THR A 5 -5.468 -12.593 1.083 1.00 21.32 O ATOM 226 CB THR A 5 -6.622 -11.628 3.572 1.00 4.00 C ATOM 227 OG1 THR A 5 -7.378 -10.899 4.524 1.00 55.32 O ATOM 228 CG2 THR A 5 -5.453 -12.257 4.303 1.00 64.44 C ATOM 0 H THR A 5 -7.834 -11.070 1.134 1.00 11.40 H new ATOM 0 HA THR A 5 -5.717 -9.841 2.816 1.00 54.54 H new ATOM 0 HB THR A 5 -7.213 -12.424 3.118 1.00 4.00 H new ATOM 0 HG1 THR A 5 -7.637 -11.492 5.260 1.00 55.32 H new ATOM 0 HG21 THR A 5 -5.825 -12.881 5.115 1.00 64.44 H new ATOM 0 HG22 THR A 5 -4.877 -12.869 3.609 1.00 64.44 H new ATOM 0 HG23 THR A 5 -4.815 -11.473 4.711 1.00 64.44 H new ATOM 236 N TRP A 6 -4.114 -10.786 1.154 1.00 12.00 N ATOM 237 CA TRP A 6 -3.102 -11.367 0.276 1.00 43.53 C ATOM 238 C TRP A 6 -1.734 -11.402 0.956 1.00 40.31 C ATOM 239 O TRP A 6 -1.244 -10.385 1.444 1.00 40.14 O ATOM 240 CB TRP A 6 -3.004 -10.605 -1.061 1.00 43.22 C ATOM 241 CG TRP A 6 -4.170 -9.713 -1.385 1.00 0.41 C ATOM 242 CD1 TRP A 6 -4.691 -8.685 -0.647 1.00 72.24 C ATOM 243 CD2 TRP A 6 -4.940 -9.778 -2.573 1.00 1.31 C ATOM 244 NE1 TRP A 6 -5.757 -8.124 -1.315 1.00 3.32 N ATOM 245 CE2 TRP A 6 -5.925 -8.781 -2.505 1.00 51.03 C ATOM 246 CE3 TRP A 6 -4.880 -10.598 -3.684 1.00 31.30 C ATOM 247 CZ2 TRP A 6 -6.854 -8.584 -3.526 1.00 20.11 C ATOM 248 CZ3 TRP A 6 -5.793 -10.414 -4.701 1.00 20.32 C ATOM 249 CH2 TRP A 6 -6.774 -9.411 -4.617 1.00 71.32 C ATOM 0 H TRP A 6 -3.898 -9.843 1.479 1.00 12.00 H new ATOM 0 HA TRP A 6 -3.415 -12.390 0.065 1.00 43.53 H new ATOM 0 HB2 TRP A 6 -2.098 -9.999 -1.048 1.00 43.22 H new ATOM 0 HB3 TRP A 6 -2.890 -11.331 -1.866 1.00 43.22 H new ATOM 0 HD1 TRP A 6 -4.322 -8.362 0.315 1.00 72.24 H new ATOM 0 HE1 TRP A 6 -6.327 -7.348 -0.979 1.00 3.32 H new ATOM 0 HE3 TRP A 6 -4.129 -11.371 -3.755 1.00 31.30 H new ATOM 0 HZ2 TRP A 6 -7.606 -7.812 -3.460 1.00 20.11 H new ATOM 0 HZ3 TRP A 6 -5.754 -11.049 -5.574 1.00 20.32 H new ATOM 0 HH2 TRP A 6 -7.478 -9.289 -5.427 1.00 71.32 H new ATOM 260 N LYS A 7 -1.126 -12.586 0.970 1.00 60.22 N ATOM 261 CA LYS A 7 0.191 -12.789 1.574 1.00 24.32 C ATOM 262 C LYS A 7 1.278 -12.766 0.508 1.00 55.24 C ATOM 263 O LYS A 7 1.005 -13.013 -0.669 1.00 63.54 O ATOM 264 CB LYS A 7 0.212 -14.126 2.323 1.00 64.51 C ATOM 265 CG LYS A 7 0.295 -15.346 1.413 1.00 73.52 C ATOM 266 CD LYS A 7 1.537 -16.169 1.714 1.00 63.34 C ATOM 267 CE LYS A 7 1.791 -17.212 0.640 1.00 44.11 C ATOM 268 NZ LYS A 7 0.936 -18.417 0.823 1.00 63.22 N ATOM 0 H LYS A 7 -1.530 -13.430 0.565 1.00 60.22 H new ATOM 0 HA LYS A 7 0.385 -11.979 2.277 1.00 24.32 H new ATOM 0 HB2 LYS A 7 1.063 -14.135 3.004 1.00 64.51 H new ATOM 0 HB3 LYS A 7 -0.687 -14.202 2.934 1.00 64.51 H new ATOM 0 HG2 LYS A 7 -0.594 -15.963 1.544 1.00 73.52 H new ATOM 0 HG3 LYS A 7 0.310 -15.026 0.371 1.00 73.52 H new ATOM 0 HD2 LYS A 7 2.401 -15.509 1.793 1.00 63.34 H new ATOM 0 HD3 LYS A 7 1.423 -16.661 2.680 1.00 63.34 H new ATOM 0 HE2 LYS A 7 1.600 -16.777 -0.341 1.00 44.11 H new ATOM 0 HE3 LYS A 7 2.841 -17.505 0.660 1.00 44.11 H new ATOM 0 HZ1 LYS A 7 1.140 -19.105 0.070 1.00 63.22 H new ATOM 0 HZ2 LYS A 7 1.136 -18.847 1.748 1.00 63.22 H new ATOM 0 HZ3 LYS A 7 -0.066 -18.142 0.779 1.00 63.22 H new ATOM 282 N VAL A 8 2.511 -12.472 0.921 1.00 72.24 N ATOM 283 CA VAL A 8 3.623 -12.430 -0.018 1.00 61.43 C ATOM 284 C VAL A 8 3.748 -13.751 -0.750 1.00 22.33 C ATOM 285 O VAL A 8 4.150 -14.767 -0.175 1.00 12.22 O ATOM 286 CB VAL A 8 4.965 -12.118 0.666 1.00 12.31 C ATOM 287 CG1 VAL A 8 6.139 -12.513 -0.229 1.00 15.10 C ATOM 288 CG2 VAL A 8 5.062 -10.654 0.999 1.00 1.21 C ATOM 0 H VAL A 8 2.760 -12.262 1.888 1.00 72.24 H new ATOM 0 HA VAL A 8 3.402 -11.624 -0.718 1.00 61.43 H new ATOM 0 HB VAL A 8 5.010 -12.700 1.586 1.00 12.31 H new ATOM 0 HG11 VAL A 8 7.076 -12.282 0.277 1.00 15.10 H new ATOM 0 HG12 VAL A 8 6.093 -13.582 -0.439 1.00 15.10 H new ATOM 0 HG13 VAL A 8 6.086 -11.957 -1.165 1.00 15.10 H new ATOM 0 HG21 VAL A 8 6.018 -10.453 1.482 1.00 1.21 H new ATOM 0 HG22 VAL A 8 4.988 -10.067 0.084 1.00 1.21 H new ATOM 0 HG23 VAL A 8 4.250 -10.380 1.673 1.00 1.21 H new ATOM 298 N ASP A 9 3.408 -13.723 -2.020 1.00 13.03 N ATOM 299 CA ASP A 9 3.487 -14.901 -2.851 1.00 45.52 C ATOM 300 C ASP A 9 4.762 -14.875 -3.681 1.00 52.21 C ATOM 301 O ASP A 9 5.251 -15.923 -4.107 1.00 1.15 O ATOM 302 CB ASP A 9 2.260 -14.975 -3.745 1.00 72.11 C ATOM 303 CG ASP A 9 1.509 -16.277 -3.571 1.00 25.33 C ATOM 304 OD1 ASP A 9 0.951 -16.502 -2.475 1.00 43.25 O ATOM 305 OD2 ASP A 9 1.482 -17.076 -4.528 1.00 3.20 O ATOM 0 H ASP A 9 3.072 -12.889 -2.502 1.00 13.03 H new ATOM 0 HA ASP A 9 3.514 -15.789 -2.219 1.00 45.52 H new ATOM 0 HB2 ASP A 9 1.596 -14.141 -3.519 1.00 72.11 H new ATOM 0 HB3 ASP A 9 2.563 -14.868 -4.786 1.00 72.11 H new ATOM 310 N ARG A 10 5.303 -13.668 -3.903 1.00 71.31 N ATOM 311 CA ARG A 10 6.525 -13.514 -4.680 1.00 41.02 C ATOM 312 C ARG A 10 6.930 -12.047 -4.829 1.00 34.12 C ATOM 313 O ARG A 10 6.233 -11.143 -4.367 1.00 0.20 O ATOM 314 CB ARG A 10 6.330 -14.124 -6.068 1.00 41.02 C ATOM 315 CG ARG A 10 5.108 -13.570 -6.791 1.00 34.10 C ATOM 316 CD ARG A 10 4.396 -14.642 -7.599 1.00 23.53 C ATOM 317 NE ARG A 10 5.219 -15.142 -8.702 1.00 62.43 N ATOM 318 CZ ARG A 10 4.724 -15.709 -9.807 1.00 74.41 C ATOM 319 NH1 ARG A 10 3.409 -15.818 -9.981 1.00 40.23 N ATOM 320 NH2 ARG A 10 5.549 -16.165 -10.745 1.00 71.31 N ATOM 0 H ARG A 10 4.910 -12.793 -3.554 1.00 71.31 H new ATOM 0 HA ARG A 10 7.322 -14.030 -4.144 1.00 41.02 H new ATOM 0 HB2 ARG A 10 7.219 -13.936 -6.670 1.00 41.02 H new ATOM 0 HB3 ARG A 10 6.231 -15.205 -5.974 1.00 41.02 H new ATOM 0 HG2 ARG A 10 4.417 -13.144 -6.063 1.00 34.10 H new ATOM 0 HG3 ARG A 10 5.414 -12.759 -7.452 1.00 34.10 H new ATOM 0 HD2 ARG A 10 4.128 -15.471 -6.943 1.00 23.53 H new ATOM 0 HD3 ARG A 10 3.466 -14.237 -7.997 1.00 23.53 H new ATOM 0 HE ARG A 10 6.232 -15.052 -8.622 1.00 62.43 H new ATOM 0 HH11 ARG A 10 2.769 -15.467 -9.268 1.00 40.23 H new ATOM 0 HH12 ARG A 10 3.041 -16.252 -10.827 1.00 40.23 H new ATOM 0 HH21 ARG A 10 6.558 -16.082 -10.621 1.00 71.31 H new ATOM 0 HH22 ARG A 10 5.173 -16.598 -11.589 1.00 71.31 H new ATOM 334 N SER A 11 8.061 -11.832 -5.503 1.00 53.11 N ATOM 335 CA SER A 11 8.579 -10.492 -5.755 1.00 4.00 C ATOM 336 C SER A 11 9.359 -10.465 -7.066 1.00 54.52 C ATOM 337 O SER A 11 9.673 -11.516 -7.631 1.00 54.02 O ATOM 338 CB SER A 11 9.485 -10.027 -4.611 1.00 44.14 C ATOM 339 OG SER A 11 9.377 -8.629 -4.412 1.00 42.23 O ATOM 0 H SER A 11 8.639 -12.580 -5.887 1.00 53.11 H new ATOM 0 HA SER A 11 7.729 -9.813 -5.824 1.00 4.00 H new ATOM 0 HB2 SER A 11 9.215 -10.550 -3.694 1.00 44.14 H new ATOM 0 HB3 SER A 11 10.520 -10.287 -4.834 1.00 44.14 H new ATOM 0 HG SER A 11 8.941 -8.221 -5.189 1.00 42.23 H new ATOM 345 N GLU A 12 9.671 -9.264 -7.546 1.00 12.23 N ATOM 346 CA GLU A 12 10.415 -9.110 -8.791 1.00 60.12 C ATOM 347 C GLU A 12 11.368 -7.923 -8.714 1.00 60.42 C ATOM 348 O GLU A 12 10.938 -6.781 -8.540 1.00 61.43 O ATOM 349 CB GLU A 12 9.453 -8.940 -9.971 1.00 64.25 C ATOM 350 CG GLU A 12 8.286 -9.914 -9.939 1.00 53.14 C ATOM 351 CD GLU A 12 7.753 -10.261 -11.316 1.00 60.25 C ATOM 352 OE1 GLU A 12 7.530 -9.333 -12.124 1.00 22.13 O ATOM 353 OE2 GLU A 12 7.552 -11.465 -11.584 1.00 0.03 O ATOM 0 H GLU A 12 9.420 -8.386 -7.092 1.00 12.23 H new ATOM 0 HA GLU A 12 11.006 -10.013 -8.945 1.00 60.12 H new ATOM 0 HB2 GLU A 12 9.067 -7.921 -9.972 1.00 64.25 H new ATOM 0 HB3 GLU A 12 10.004 -9.074 -10.902 1.00 64.25 H new ATOM 0 HG2 GLU A 12 8.600 -10.830 -9.438 1.00 53.14 H new ATOM 0 HG3 GLU A 12 7.480 -9.485 -9.343 1.00 53.14 H new ATOM 360 N ASN A 13 12.664 -8.214 -8.854 1.00 31.20 N ATOM 361 CA ASN A 13 13.716 -7.189 -8.817 1.00 42.23 C ATOM 362 C ASN A 13 14.065 -6.744 -7.388 1.00 61.22 C ATOM 363 O ASN A 13 14.804 -5.774 -7.208 1.00 22.31 O ATOM 364 CB ASN A 13 13.302 -5.970 -9.649 1.00 75.24 C ATOM 365 CG ASN A 13 14.469 -5.050 -9.949 1.00 53.02 C ATOM 366 OD1 ASN A 13 14.587 -3.979 -9.173 1.00 53.23 O flip ATOM 367 ND2 ASN A 13 15.256 -5.300 -10.864 1.00 4.24 N flip ATOM 0 H ASN A 13 13.015 -9.161 -8.996 1.00 31.20 H new ATOM 0 HA ASN A 13 14.610 -7.645 -9.243 1.00 42.23 H new ATOM 0 HB2 ASN A 13 12.859 -6.307 -10.586 1.00 75.24 H new ATOM 0 HB3 ASN A 13 12.532 -5.413 -9.114 1.00 75.24 H new ATOM 0 HD21 ASN A 13 15.126 -6.135 -11.435 1.00 4.24 H new ATOM 0 HD22 ASN A 13 16.038 -4.672 -11.050 1.00 4.24 H new ATOM 374 N TYR A 14 13.545 -7.440 -6.372 1.00 43.02 N ATOM 375 CA TYR A 14 13.833 -7.075 -4.983 1.00 4.22 C ATOM 376 C TYR A 14 15.332 -7.003 -4.714 1.00 1.00 C ATOM 377 O TYR A 14 15.788 -6.155 -3.944 1.00 20.22 O ATOM 378 CB TYR A 14 13.203 -8.078 -4.015 1.00 75.13 C ATOM 379 CG TYR A 14 12.869 -7.497 -2.656 1.00 40.31 C ATOM 380 CD1 TYR A 14 12.399 -6.195 -2.525 1.00 44.41 C ATOM 381 CD2 TYR A 14 13.033 -8.253 -1.502 1.00 32.44 C ATOM 382 CE1 TYR A 14 12.104 -5.665 -1.284 1.00 63.31 C ATOM 383 CE2 TYR A 14 12.738 -7.731 -0.259 1.00 42.42 C ATOM 384 CZ TYR A 14 12.274 -6.436 -0.154 1.00 34.41 C ATOM 385 OH TYR A 14 11.984 -5.910 1.084 1.00 23.24 O ATOM 0 H TYR A 14 12.932 -8.247 -6.483 1.00 43.02 H new ATOM 0 HA TYR A 14 13.401 -6.087 -4.823 1.00 4.22 H new ATOM 0 HB2 TYR A 14 12.292 -8.476 -4.462 1.00 75.13 H new ATOM 0 HB3 TYR A 14 13.886 -8.917 -3.882 1.00 75.13 H new ATOM 0 HD1 TYR A 14 12.262 -5.588 -3.408 1.00 44.41 H new ATOM 0 HD2 TYR A 14 13.398 -9.267 -1.579 1.00 32.44 H new ATOM 0 HE1 TYR A 14 11.742 -4.651 -1.199 1.00 63.31 H new ATOM 0 HE2 TYR A 14 12.870 -8.334 0.628 1.00 42.42 H new ATOM 0 HH TYR A 14 12.157 -6.584 1.774 1.00 23.24 H new ATOM 395 N ASP A 15 16.090 -7.907 -5.335 1.00 23.35 N ATOM 396 CA ASP A 15 17.533 -7.950 -5.143 1.00 72.42 C ATOM 397 C ASP A 15 18.160 -6.571 -5.353 1.00 14.04 C ATOM 398 O ASP A 15 18.936 -6.103 -4.520 1.00 21.24 O ATOM 399 CB ASP A 15 18.176 -8.968 -6.091 1.00 2.15 C ATOM 400 CG ASP A 15 17.802 -10.396 -5.749 1.00 40.42 C ATOM 401 OD1 ASP A 15 16.723 -10.846 -6.185 1.00 21.43 O ATOM 402 OD2 ASP A 15 18.585 -11.063 -5.040 1.00 0.44 O ATOM 0 H ASP A 15 15.727 -8.616 -5.973 1.00 23.35 H new ATOM 0 HA ASP A 15 17.720 -8.259 -4.115 1.00 72.42 H new ATOM 0 HB2 ASP A 15 17.870 -8.751 -7.114 1.00 2.15 H new ATOM 0 HB3 ASP A 15 19.260 -8.861 -6.053 1.00 2.15 H new ATOM 407 N LYS A 16 17.808 -5.924 -6.467 1.00 23.40 N ATOM 408 CA LYS A 16 18.330 -4.594 -6.784 1.00 32.21 C ATOM 409 C LYS A 16 17.871 -3.564 -5.752 1.00 43.24 C ATOM 410 O LYS A 16 18.657 -2.726 -5.315 1.00 11.02 O ATOM 411 CB LYS A 16 17.878 -4.162 -8.184 1.00 74.53 C ATOM 412 CG LYS A 16 18.796 -3.141 -8.843 1.00 53.44 C ATOM 413 CD LYS A 16 18.657 -3.165 -10.359 1.00 13.01 C ATOM 414 CE LYS A 16 19.496 -4.273 -10.985 1.00 5.42 C ATOM 415 NZ LYS A 16 18.675 -5.190 -11.827 1.00 13.00 N ATOM 0 H LYS A 16 17.164 -6.300 -7.163 1.00 23.40 H new ATOM 0 HA LYS A 16 19.418 -4.648 -6.760 1.00 32.21 H new ATOM 0 HB2 LYS A 16 17.814 -5.043 -8.822 1.00 74.53 H new ATOM 0 HB3 LYS A 16 16.874 -3.743 -8.117 1.00 74.53 H new ATOM 0 HG2 LYS A 16 18.561 -2.144 -8.470 1.00 53.44 H new ATOM 0 HG3 LYS A 16 19.830 -3.348 -8.568 1.00 53.44 H new ATOM 0 HD2 LYS A 16 17.610 -3.307 -10.626 1.00 13.01 H new ATOM 0 HD3 LYS A 16 18.963 -2.202 -10.768 1.00 13.01 H new ATOM 0 HE2 LYS A 16 20.284 -3.830 -11.594 1.00 5.42 H new ATOM 0 HE3 LYS A 16 19.986 -4.846 -10.197 1.00 5.42 H new ATOM 0 HZ1 LYS A 16 19.285 -5.928 -12.233 1.00 13.00 H new ATOM 0 HZ2 LYS A 16 17.939 -5.633 -11.241 1.00 13.00 H new ATOM 0 HZ3 LYS A 16 18.228 -4.649 -12.595 1.00 13.00 H new ATOM 429 N PHE A 17 16.594 -3.638 -5.371 1.00 21.32 N ATOM 430 CA PHE A 17 16.021 -2.715 -4.390 1.00 53.14 C ATOM 431 C PHE A 17 16.737 -2.823 -3.040 1.00 54.05 C ATOM 432 O PHE A 17 17.095 -1.809 -2.443 1.00 22.43 O ATOM 433 CB PHE A 17 14.519 -2.990 -4.228 1.00 53.54 C ATOM 434 CG PHE A 17 13.855 -2.197 -3.133 1.00 63.54 C ATOM 435 CD1 PHE A 17 13.356 -0.922 -3.373 1.00 14.05 C ATOM 436 CD2 PHE A 17 13.721 -2.735 -1.862 1.00 2.03 C ATOM 437 CE1 PHE A 17 12.741 -0.205 -2.366 1.00 5.21 C ATOM 438 CE2 PHE A 17 13.106 -2.020 -0.853 1.00 31.31 C ATOM 439 CZ PHE A 17 12.616 -0.754 -1.105 1.00 2.31 C ATOM 0 H PHE A 17 15.936 -4.330 -5.729 1.00 21.32 H new ATOM 0 HA PHE A 17 16.159 -1.698 -4.756 1.00 53.14 H new ATOM 0 HB2 PHE A 17 14.019 -2.773 -5.172 1.00 53.54 H new ATOM 0 HB3 PHE A 17 14.376 -4.052 -4.028 1.00 53.54 H new ATOM 0 HD1 PHE A 17 13.450 -0.488 -4.357 1.00 14.05 H new ATOM 0 HD2 PHE A 17 14.102 -3.725 -1.659 1.00 2.03 H new ATOM 0 HE1 PHE A 17 12.358 0.785 -2.564 1.00 5.21 H new ATOM 0 HE2 PHE A 17 13.008 -2.451 0.132 1.00 31.31 H new ATOM 0 HZ PHE A 17 12.135 -0.194 -0.317 1.00 2.31 H new ATOM 449 N MET A 18 16.953 -4.052 -2.566 1.00 12.41 N ATOM 450 CA MET A 18 17.632 -4.271 -1.289 1.00 32.52 C ATOM 451 C MET A 18 19.110 -3.907 -1.395 1.00 1.44 C ATOM 452 O MET A 18 19.626 -3.141 -0.579 1.00 55.44 O ATOM 453 CB MET A 18 17.485 -5.729 -0.841 1.00 14.21 C ATOM 454 CG MET A 18 16.054 -6.130 -0.518 1.00 20.12 C ATOM 455 SD MET A 18 15.964 -7.603 0.519 1.00 35.30 S ATOM 456 CE MET A 18 16.343 -8.884 -0.676 1.00 2.42 C ATOM 0 H MET A 18 16.669 -4.906 -3.045 1.00 12.41 H new ATOM 0 HA MET A 18 17.164 -3.626 -0.545 1.00 32.52 H new ATOM 0 HB2 MET A 18 17.867 -6.381 -1.627 1.00 14.21 H new ATOM 0 HB3 MET A 18 18.106 -5.893 0.039 1.00 14.21 H new ATOM 0 HG2 MET A 18 15.554 -5.303 -0.013 1.00 20.12 H new ATOM 0 HG3 MET A 18 15.513 -6.310 -1.447 1.00 20.12 H new ATOM 0 HE1 MET A 18 16.605 -9.804 -0.153 1.00 2.42 H new ATOM 0 HE2 MET A 18 15.473 -9.061 -1.308 1.00 2.42 H new ATOM 0 HE3 MET A 18 17.182 -8.567 -1.295 1.00 2.42 H new ATOM 466 N GLU A 19 19.786 -4.455 -2.408 1.00 33.14 N ATOM 467 CA GLU A 19 21.204 -4.176 -2.616 1.00 12.13 C ATOM 468 C GLU A 19 21.443 -2.680 -2.829 1.00 73.11 C ATOM 469 O GLU A 19 22.499 -2.157 -2.470 1.00 14.15 O ATOM 470 CB GLU A 19 21.744 -4.973 -3.806 1.00 43.55 C ATOM 471 CG GLU A 19 22.021 -6.434 -3.485 1.00 64.34 C ATOM 472 CD GLU A 19 23.073 -6.609 -2.405 1.00 11.02 C ATOM 473 OE1 GLU A 19 22.723 -6.516 -1.212 1.00 42.41 O ATOM 474 OE2 GLU A 19 24.247 -6.839 -2.752 1.00 3.41 O ATOM 0 H GLU A 19 19.375 -5.090 -3.092 1.00 33.14 H new ATOM 0 HA GLU A 19 21.740 -4.485 -1.718 1.00 12.13 H new ATOM 0 HB2 GLU A 19 21.026 -4.919 -4.624 1.00 43.55 H new ATOM 0 HB3 GLU A 19 22.664 -4.506 -4.158 1.00 43.55 H new ATOM 0 HG2 GLU A 19 21.095 -6.913 -3.165 1.00 64.34 H new ATOM 0 HG3 GLU A 19 22.348 -6.945 -4.391 1.00 64.34 H new ATOM 481 N LYS A 20 20.449 -1.995 -3.406 1.00 34.31 N ATOM 482 CA LYS A 20 20.537 -0.557 -3.657 1.00 75.12 C ATOM 483 C LYS A 20 20.863 0.196 -2.373 1.00 52.41 C ATOM 484 O LYS A 20 21.879 0.888 -2.289 1.00 0.31 O ATOM 485 CB LYS A 20 19.214 -0.034 -4.226 1.00 1.30 C ATOM 486 CG LYS A 20 19.336 0.524 -5.628 1.00 71.41 C ATOM 487 CD LYS A 20 19.737 1.989 -5.612 1.00 42.03 C ATOM 488 CE LYS A 20 19.078 2.754 -6.744 1.00 31.24 C ATOM 489 NZ LYS A 20 20.076 3.351 -7.675 1.00 51.13 N ATOM 0 H LYS A 20 19.572 -2.418 -3.708 1.00 34.31 H new ATOM 0 HA LYS A 20 21.335 -0.391 -4.380 1.00 75.12 H new ATOM 0 HB2 LYS A 20 18.484 -0.843 -4.228 1.00 1.30 H new ATOM 0 HB3 LYS A 20 18.827 0.743 -3.567 1.00 1.30 H new ATOM 0 HG2 LYS A 20 20.075 -0.050 -6.186 1.00 71.41 H new ATOM 0 HG3 LYS A 20 18.385 0.412 -6.149 1.00 71.41 H new ATOM 0 HD2 LYS A 20 19.456 2.434 -4.658 1.00 42.03 H new ATOM 0 HD3 LYS A 20 20.821 2.072 -5.696 1.00 42.03 H new ATOM 0 HE2 LYS A 20 18.421 2.084 -7.299 1.00 31.24 H new ATOM 0 HE3 LYS A 20 18.452 3.544 -6.330 1.00 31.24 H new ATOM 0 HZ1 LYS A 20 19.584 3.762 -8.494 1.00 51.13 H new ATOM 0 HZ2 LYS A 20 20.609 4.096 -7.182 1.00 51.13 H new ATOM 0 HZ3 LYS A 20 20.733 2.613 -8.000 1.00 51.13 H new ATOM 503 N MET A 21 19.988 0.047 -1.379 1.00 1.05 N ATOM 504 CA MET A 21 20.161 0.701 -0.085 1.00 41.22 C ATOM 505 C MET A 21 21.452 0.247 0.600 1.00 13.10 C ATOM 506 O MET A 21 22.047 0.996 1.377 1.00 1.00 O ATOM 507 CB MET A 21 18.968 0.398 0.824 1.00 53.53 C ATOM 508 CG MET A 21 17.733 1.223 0.507 1.00 51.42 C ATOM 509 SD MET A 21 16.542 0.339 -0.516 1.00 13.44 S ATOM 510 CE MET A 21 15.400 -0.243 0.734 1.00 34.41 C ATOM 0 H MET A 21 19.147 -0.526 -1.448 1.00 1.05 H new ATOM 0 HA MET A 21 20.223 1.775 -0.262 1.00 41.22 H new ATOM 0 HB2 MET A 21 18.719 -0.660 0.741 1.00 53.53 H new ATOM 0 HB3 MET A 21 19.257 0.577 1.860 1.00 53.53 H new ATOM 0 HG2 MET A 21 17.253 1.522 1.439 1.00 51.42 H new ATOM 0 HG3 MET A 21 18.035 2.138 -0.004 1.00 51.42 H new ATOM 0 HE1 MET A 21 15.280 -1.323 0.643 1.00 34.41 H new ATOM 0 HE2 MET A 21 15.790 -0.003 1.723 1.00 34.41 H new ATOM 0 HE3 MET A 21 14.433 0.242 0.598 1.00 34.41 H new ATOM 520 N GLY A 22 21.870 -0.987 0.313 1.00 11.42 N ATOM 521 CA GLY A 22 23.081 -1.530 0.916 1.00 24.52 C ATOM 522 C GLY A 22 22.779 -2.541 2.011 1.00 42.12 C ATOM 523 O GLY A 22 23.510 -2.632 3.000 1.00 14.01 O ATOM 0 H GLY A 22 21.391 -1.621 -0.327 1.00 11.42 H new ATOM 0 HA2 GLY A 22 23.687 -2.004 0.144 1.00 24.52 H new ATOM 0 HA3 GLY A 22 23.674 -0.715 1.331 1.00 24.52 H new ATOM 527 N VAL A 23 21.689 -3.291 1.839 1.00 74.24 N ATOM 528 CA VAL A 23 21.268 -4.292 2.816 1.00 22.24 C ATOM 529 C VAL A 23 22.239 -5.473 2.878 1.00 4.44 C ATOM 530 O VAL A 23 22.683 -5.984 1.848 1.00 54.54 O ATOM 531 CB VAL A 23 19.846 -4.809 2.497 1.00 62.42 C ATOM 532 CG1 VAL A 23 19.367 -5.776 3.567 1.00 63.14 C ATOM 533 CG2 VAL A 23 18.870 -3.649 2.355 1.00 52.34 C ATOM 0 H VAL A 23 21.079 -3.221 1.025 1.00 74.24 H new ATOM 0 HA VAL A 23 21.264 -3.801 3.789 1.00 22.24 H new ATOM 0 HB VAL A 23 19.889 -5.343 1.548 1.00 62.42 H new ATOM 0 HG11 VAL A 23 18.365 -6.125 3.319 1.00 63.14 H new ATOM 0 HG12 VAL A 23 20.046 -6.627 3.618 1.00 63.14 H new ATOM 0 HG13 VAL A 23 19.347 -5.270 4.532 1.00 63.14 H new ATOM 0 HG21 VAL A 23 17.876 -4.035 2.131 1.00 52.34 H new ATOM 0 HG22 VAL A 23 18.838 -3.084 3.287 1.00 52.34 H new ATOM 0 HG23 VAL A 23 19.196 -2.996 1.546 1.00 52.34 H new ATOM 543 N ASN A 24 22.556 -5.899 4.101 1.00 11.41 N ATOM 544 CA ASN A 24 23.465 -7.015 4.336 1.00 23.14 C ATOM 545 C ASN A 24 22.783 -8.354 4.054 1.00 0.10 C ATOM 546 O ASN A 24 21.559 -8.463 4.121 1.00 72.22 O ATOM 547 CB ASN A 24 23.955 -6.964 5.779 1.00 54.24 C ATOM 548 CG ASN A 24 24.819 -8.145 6.136 1.00 14.23 C ATOM 549 OD1 ASN A 24 24.409 -8.876 7.153 1.00 55.42 O flip ATOM 550 ND2 ASN A 24 25.841 -8.402 5.502 1.00 33.20 N flip ATOM 0 H ASN A 24 22.189 -5.479 4.955 1.00 11.41 H new ATOM 0 HA ASN A 24 24.312 -6.928 3.656 1.00 23.14 H new ATOM 0 HB2 ASN A 24 24.519 -6.045 5.936 1.00 54.24 H new ATOM 0 HB3 ASN A 24 23.097 -6.930 6.450 1.00 54.24 H new ATOM 0 HD21 ASN A 24 26.120 -7.808 4.721 1.00 33.20 H new ATOM 0 HD22 ASN A 24 26.410 -9.210 5.757 1.00 33.20 H new ATOM 557 N ILE A 25 23.589 -9.369 3.740 1.00 54.42 N ATOM 558 CA ILE A 25 23.076 -10.708 3.447 1.00 72.22 C ATOM 559 C ILE A 25 22.084 -11.177 4.517 1.00 12.24 C ATOM 560 O ILE A 25 21.020 -11.706 4.192 1.00 42.11 O ATOM 561 CB ILE A 25 24.230 -11.734 3.320 1.00 13.12 C ATOM 562 CG1 ILE A 25 23.693 -13.119 2.924 1.00 61.22 C ATOM 563 CG2 ILE A 25 25.038 -11.809 4.610 1.00 44.35 C ATOM 564 CD1 ILE A 25 23.296 -13.996 4.097 1.00 52.24 C ATOM 0 H ILE A 25 24.604 -9.289 3.682 1.00 54.42 H new ATOM 0 HA ILE A 25 22.552 -10.646 2.493 1.00 72.22 H new ATOM 0 HB ILE A 25 24.896 -11.394 2.527 1.00 13.12 H new ATOM 0 HG12 ILE A 25 22.827 -12.988 2.275 1.00 61.22 H new ATOM 0 HG13 ILE A 25 24.454 -13.637 2.340 1.00 61.22 H new ATOM 0 HG21 ILE A 25 25.842 -12.536 4.494 1.00 44.35 H new ATOM 0 HG22 ILE A 25 25.464 -10.830 4.830 1.00 44.35 H new ATOM 0 HG23 ILE A 25 24.388 -12.115 5.430 1.00 44.35 H new ATOM 0 HD11 ILE A 25 22.929 -14.953 3.728 1.00 52.24 H new ATOM 0 HD12 ILE A 25 24.163 -14.162 4.737 1.00 52.24 H new ATOM 0 HD13 ILE A 25 22.511 -13.503 4.671 1.00 52.24 H new ATOM 576 N VAL A 26 22.436 -10.970 5.788 1.00 2.11 N ATOM 577 CA VAL A 26 21.571 -11.366 6.904 1.00 13.11 C ATOM 578 C VAL A 26 20.276 -10.556 6.902 1.00 2.32 C ATOM 579 O VAL A 26 19.197 -11.094 7.160 1.00 72.11 O ATOM 580 CB VAL A 26 22.279 -11.195 8.268 1.00 65.13 C ATOM 581 CG1 VAL A 26 21.365 -11.618 9.410 1.00 20.43 C ATOM 582 CG2 VAL A 26 23.578 -11.989 8.302 1.00 61.24 C ATOM 0 H VAL A 26 23.312 -10.531 6.071 1.00 2.11 H new ATOM 0 HA VAL A 26 21.339 -12.422 6.765 1.00 13.11 H new ATOM 0 HB VAL A 26 22.517 -10.139 8.395 1.00 65.13 H new ATOM 0 HG11 VAL A 26 21.885 -11.489 10.359 1.00 20.43 H new ATOM 0 HG12 VAL A 26 20.465 -11.003 9.403 1.00 20.43 H new ATOM 0 HG13 VAL A 26 21.090 -12.665 9.287 1.00 20.43 H new ATOM 0 HG21 VAL A 26 24.061 -11.855 9.270 1.00 61.24 H new ATOM 0 HG22 VAL A 26 23.362 -13.046 8.147 1.00 61.24 H new ATOM 0 HG23 VAL A 26 24.242 -11.635 7.513 1.00 61.24 H new ATOM 592 N LYS A 27 20.388 -9.268 6.591 1.00 23.21 N ATOM 593 CA LYS A 27 19.227 -8.391 6.534 1.00 0.55 C ATOM 594 C LYS A 27 18.329 -8.781 5.363 1.00 35.41 C ATOM 595 O LYS A 27 17.105 -8.818 5.492 1.00 2.44 O ATOM 596 CB LYS A 27 19.674 -6.933 6.398 1.00 75.22 C ATOM 597 CG LYS A 27 20.213 -6.332 7.687 1.00 2.03 C ATOM 598 CD LYS A 27 19.128 -6.212 8.746 1.00 3.04 C ATOM 599 CE LYS A 27 19.532 -5.253 9.855 1.00 63.21 C ATOM 600 NZ LYS A 27 19.436 -3.828 9.427 1.00 32.42 N ATOM 0 H LYS A 27 21.273 -8.810 6.375 1.00 23.21 H new ATOM 0 HA LYS A 27 18.660 -8.498 7.459 1.00 0.55 H new ATOM 0 HB2 LYS A 27 20.444 -6.869 5.629 1.00 75.22 H new ATOM 0 HB3 LYS A 27 18.830 -6.335 6.055 1.00 75.22 H new ATOM 0 HG2 LYS A 27 21.025 -6.952 8.066 1.00 2.03 H new ATOM 0 HG3 LYS A 27 20.633 -5.347 7.482 1.00 2.03 H new ATOM 0 HD2 LYS A 27 18.204 -5.866 8.283 1.00 3.04 H new ATOM 0 HD3 LYS A 27 18.923 -7.195 9.171 1.00 3.04 H new ATOM 0 HE2 LYS A 27 18.893 -5.414 10.723 1.00 63.21 H new ATOM 0 HE3 LYS A 27 20.554 -5.469 10.166 1.00 63.21 H new ATOM 0 HZ1 LYS A 27 19.588 -3.208 10.248 1.00 32.42 H new ATOM 0 HZ2 LYS A 27 20.160 -3.632 8.707 1.00 32.42 H new ATOM 0 HZ3 LYS A 27 18.493 -3.648 9.028 1.00 32.42 H new ATOM 614 N ARG A 28 18.952 -9.088 4.224 1.00 35.42 N ATOM 615 CA ARG A 28 18.222 -9.494 3.027 1.00 73.41 C ATOM 616 C ARG A 28 17.577 -10.868 3.214 1.00 21.31 C ATOM 617 O ARG A 28 16.563 -11.174 2.585 1.00 20.24 O ATOM 618 CB ARG A 28 19.158 -9.536 1.813 1.00 14.03 C ATOM 619 CG ARG A 28 19.839 -8.210 1.505 1.00 43.03 C ATOM 620 CD ARG A 28 20.832 -8.340 0.361 1.00 43.33 C ATOM 621 NE ARG A 28 20.227 -8.920 -0.839 1.00 51.53 N ATOM 622 CZ ARG A 28 20.922 -9.474 -1.837 1.00 40.33 C ATOM 623 NH1 ARG A 28 22.251 -9.536 -1.785 1.00 72.33 N ATOM 624 NH2 ARG A 28 20.284 -9.968 -2.893 1.00 53.35 N ATOM 0 H ARG A 28 19.965 -9.062 4.108 1.00 35.42 H new ATOM 0 HA ARG A 28 17.438 -8.757 2.855 1.00 73.41 H new ATOM 0 HB2 ARG A 28 19.923 -10.294 1.984 1.00 14.03 H new ATOM 0 HB3 ARG A 28 18.588 -9.850 0.939 1.00 14.03 H new ATOM 0 HG2 ARG A 28 19.086 -7.465 1.250 1.00 43.03 H new ATOM 0 HG3 ARG A 28 20.355 -7.850 2.395 1.00 43.03 H new ATOM 0 HD2 ARG A 28 21.237 -7.357 0.122 1.00 43.33 H new ATOM 0 HD3 ARG A 28 21.669 -8.961 0.679 1.00 43.33 H new ATOM 0 HE ARG A 28 19.210 -8.900 -0.919 1.00 51.53 H new ATOM 0 HH11 ARG A 28 22.748 -9.159 -0.978 1.00 72.33 H new ATOM 0 HH12 ARG A 28 22.772 -9.961 -2.552 1.00 72.33 H new ATOM 0 HH21 ARG A 28 19.266 -9.924 -2.941 1.00 53.35 H new ATOM 0 HH22 ARG A 28 20.812 -10.391 -3.656 1.00 53.35 H new ATOM 638 N LYS A 29 18.181 -11.696 4.068 1.00 42.34 N ATOM 639 CA LYS A 29 17.680 -13.043 4.324 1.00 71.22 C ATOM 640 C LYS A 29 16.270 -13.030 4.898 1.00 43.34 C ATOM 641 O LYS A 29 15.376 -13.677 4.351 1.00 45.01 O ATOM 642 CB LYS A 29 18.620 -13.796 5.270 1.00 55.42 C ATOM 643 CG LYS A 29 19.808 -14.440 4.571 1.00 13.50 C ATOM 644 CD LYS A 29 19.576 -15.925 4.328 1.00 64.11 C ATOM 645 CE LYS A 29 19.470 -16.248 2.844 1.00 44.41 C ATOM 646 NZ LYS A 29 18.421 -15.436 2.162 1.00 25.21 N ATOM 0 H LYS A 29 19.020 -11.454 4.595 1.00 42.34 H new ATOM 0 HA LYS A 29 17.644 -13.558 3.364 1.00 71.22 H new ATOM 0 HB2 LYS A 29 18.988 -13.105 6.028 1.00 55.42 H new ATOM 0 HB3 LYS A 29 18.054 -14.569 5.791 1.00 55.42 H new ATOM 0 HG2 LYS A 29 19.987 -13.939 3.620 1.00 13.50 H new ATOM 0 HG3 LYS A 29 20.704 -14.305 5.176 1.00 13.50 H new ATOM 0 HD2 LYS A 29 20.394 -16.497 4.766 1.00 64.11 H new ATOM 0 HD3 LYS A 29 18.662 -16.237 4.834 1.00 64.11 H new ATOM 0 HE2 LYS A 29 20.433 -16.069 2.366 1.00 44.41 H new ATOM 0 HE3 LYS A 29 19.244 -17.307 2.720 1.00 44.41 H new ATOM 0 HZ1 LYS A 29 18.231 -15.835 1.221 1.00 25.21 H new ATOM 0 HZ2 LYS A 29 17.548 -15.451 2.727 1.00 25.21 H new ATOM 0 HZ3 LYS A 29 18.752 -14.455 2.062 1.00 25.21 H new ATOM 660 N LEU A 30 16.064 -12.309 5.998 1.00 0.04 N ATOM 661 CA LEU A 30 14.745 -12.258 6.610 1.00 2.32 C ATOM 662 C LEU A 30 13.848 -11.214 5.957 1.00 0.13 C ATOM 663 O LEU A 30 12.646 -11.430 5.832 1.00 63.51 O ATOM 664 CB LEU A 30 14.818 -12.030 8.107 1.00 20.41 C ATOM 665 CG LEU A 30 15.846 -11.029 8.599 1.00 54.54 C ATOM 666 CD1 LEU A 30 15.462 -9.636 8.157 1.00 34.44 C ATOM 667 CD2 LEU A 30 15.925 -11.110 10.102 1.00 24.21 C ATOM 0 H LEU A 30 16.781 -11.762 6.474 1.00 0.04 H new ATOM 0 HA LEU A 30 14.297 -13.237 6.441 1.00 2.32 H new ATOM 0 HB2 LEU A 30 13.836 -11.703 8.449 1.00 20.41 H new ATOM 0 HB3 LEU A 30 15.020 -12.988 8.587 1.00 20.41 H new ATOM 0 HG LEU A 30 16.824 -11.260 8.176 1.00 54.54 H new ATOM 0 HD11 LEU A 30 16.205 -8.923 8.514 1.00 34.44 H new ATOM 0 HD12 LEU A 30 15.417 -9.599 7.069 1.00 34.44 H new ATOM 0 HD13 LEU A 30 14.486 -9.380 8.569 1.00 34.44 H new ATOM 0 HD21 LEU A 30 16.662 -10.394 10.467 1.00 24.21 H new ATOM 0 HD22 LEU A 30 14.950 -10.878 10.531 1.00 24.21 H new ATOM 0 HD23 LEU A 30 16.221 -12.117 10.397 1.00 24.21 H new ATOM 679 N ALA A 31 14.422 -10.091 5.522 1.00 13.00 N ATOM 680 CA ALA A 31 13.635 -9.047 4.869 1.00 53.21 C ATOM 681 C ALA A 31 13.015 -9.564 3.568 1.00 45.35 C ATOM 682 O ALA A 31 12.087 -8.956 3.029 1.00 64.14 O ATOM 683 CB ALA A 31 14.485 -7.812 4.607 1.00 32.31 C ATOM 0 H ALA A 31 15.417 -9.883 5.609 1.00 13.00 H new ATOM 0 HA ALA A 31 12.825 -8.765 5.542 1.00 53.21 H new ATOM 0 HB1 ALA A 31 13.878 -7.049 4.120 1.00 32.31 H new ATOM 0 HB2 ALA A 31 14.865 -7.425 5.552 1.00 32.31 H new ATOM 0 HB3 ALA A 31 15.322 -8.077 3.960 1.00 32.31 H new ATOM 689 N ALA A 32 13.524 -10.702 3.078 1.00 21.43 N ATOM 690 CA ALA A 32 13.008 -11.312 1.854 1.00 31.20 C ATOM 691 C ALA A 32 12.101 -12.502 2.174 1.00 72.33 C ATOM 692 O ALA A 32 11.166 -12.796 1.427 1.00 61.14 O ATOM 693 CB ALA A 32 14.156 -11.750 0.955 1.00 2.52 C ATOM 0 H ALA A 32 14.291 -11.215 3.512 1.00 21.43 H new ATOM 0 HA ALA A 32 12.415 -10.564 1.328 1.00 31.20 H new ATOM 0 HB1 ALA A 32 13.755 -12.202 0.048 1.00 2.52 H new ATOM 0 HB2 ALA A 32 14.763 -10.884 0.691 1.00 2.52 H new ATOM 0 HB3 ALA A 32 14.773 -12.478 1.481 1.00 2.52 H new ATOM 699 N HIS A 33 12.387 -13.184 3.287 1.00 43.24 N ATOM 700 CA HIS A 33 11.605 -14.345 3.709 1.00 1.23 C ATOM 701 C HIS A 33 10.979 -14.115 5.090 1.00 61.14 C ATOM 702 O HIS A 33 10.976 -15.011 5.938 1.00 14.32 O ATOM 703 CB HIS A 33 12.492 -15.597 3.732 1.00 41.43 C ATOM 704 CG HIS A 33 13.233 -15.837 2.450 1.00 14.22 C ATOM 705 ND1 HIS A 33 14.340 -15.245 1.937 1.00 52.35 N flip ATOM 706 CD2 HIS A 33 12.850 -16.786 1.526 1.00 0.13 C flip ATOM 707 CE1 HIS A 33 14.597 -15.843 0.728 1.00 13.42 C flip ATOM 708 NE2 HIS A 33 13.684 -16.769 0.503 1.00 43.33 N flip ATOM 0 H HIS A 33 13.158 -12.949 3.913 1.00 43.24 H new ATOM 0 HA HIS A 33 10.798 -14.492 2.991 1.00 1.23 H new ATOM 0 HB2 HIS A 33 13.212 -15.506 4.545 1.00 41.43 H new ATOM 0 HB3 HIS A 33 11.872 -16.466 3.951 1.00 41.43 H new ATOM 0 HD1 HIS A 33 14.881 -14.496 2.369 1.00 52.35 H new ATOM 0 HD2 HIS A 33 11.998 -17.443 1.624 1.00 0.13 H new ATOM 0 HE1 HIS A 33 15.415 -15.595 0.067 1.00 13.42 H new ATOM 716 N ASP A 34 10.456 -12.905 5.316 1.00 42.54 N ATOM 717 CA ASP A 34 9.840 -12.564 6.596 1.00 52.21 C ATOM 718 C ASP A 34 8.374 -13.001 6.656 1.00 21.13 C ATOM 719 O ASP A 34 7.812 -13.112 7.745 1.00 71.41 O ATOM 720 CB ASP A 34 9.973 -11.060 6.876 1.00 1.33 C ATOM 721 CG ASP A 34 10.572 -10.776 8.241 1.00 71.54 C ATOM 722 OD1 ASP A 34 11.660 -11.311 8.535 1.00 31.20 O ATOM 723 OD2 ASP A 34 9.957 -10.017 9.015 1.00 32.42 O ATOM 0 H ASP A 34 10.448 -12.150 4.630 1.00 42.54 H new ATOM 0 HA ASP A 34 10.374 -13.111 7.373 1.00 52.21 H new ATOM 0 HB2 ASP A 34 10.596 -10.604 6.107 1.00 1.33 H new ATOM 0 HB3 ASP A 34 8.991 -10.593 6.809 1.00 1.33 H new ATOM 728 N ASN A 35 7.758 -13.256 5.489 1.00 41.03 N ATOM 729 CA ASN A 35 6.360 -13.692 5.426 1.00 44.03 C ATOM 730 C ASN A 35 5.418 -12.547 5.783 1.00 60.43 C ATOM 731 O ASN A 35 4.550 -12.679 6.651 1.00 3.13 O ATOM 732 CB ASN A 35 6.111 -14.896 6.349 1.00 33.23 C ATOM 733 CG ASN A 35 6.906 -16.123 5.943 1.00 55.54 C ATOM 734 OD1 ASN A 35 6.457 -16.922 5.122 1.00 11.22 O ATOM 735 ND2 ASN A 35 8.094 -16.284 6.519 1.00 5.23 N ATOM 0 H ASN A 35 8.210 -13.167 4.579 1.00 41.03 H new ATOM 0 HA ASN A 35 6.157 -14.002 4.401 1.00 44.03 H new ATOM 0 HB2 ASN A 35 6.370 -14.623 7.372 1.00 33.23 H new ATOM 0 HB3 ASN A 35 5.048 -15.139 6.343 1.00 33.23 H new ATOM 0 HD21 ASN A 35 8.669 -17.093 6.285 1.00 5.23 H new ATOM 0 HD22 ASN A 35 8.430 -15.598 7.195 1.00 5.23 H new ATOM 742 N LEU A 36 5.600 -11.422 5.102 1.00 3.32 N ATOM 743 CA LEU A 36 4.777 -10.241 5.326 1.00 24.14 C ATOM 744 C LEU A 36 3.338 -10.479 4.864 1.00 43.34 C ATOM 745 O LEU A 36 3.054 -10.479 3.664 1.00 74.22 O ATOM 746 CB LEU A 36 5.382 -9.038 4.590 1.00 32.11 C ATOM 747 CG LEU A 36 4.507 -7.782 4.547 1.00 12.43 C ATOM 748 CD1 LEU A 36 4.637 -6.994 5.840 1.00 11.22 C ATOM 749 CD2 LEU A 36 4.881 -6.918 3.351 1.00 62.23 C ATOM 0 H LEU A 36 6.316 -11.303 4.385 1.00 3.32 H new ATOM 0 HA LEU A 36 4.756 -10.033 6.396 1.00 24.14 H new ATOM 0 HB2 LEU A 36 6.330 -8.783 5.065 1.00 32.11 H new ATOM 0 HB3 LEU A 36 5.608 -9.337 3.567 1.00 32.11 H new ATOM 0 HG LEU A 36 3.467 -8.089 4.440 1.00 12.43 H new ATOM 0 HD11 LEU A 36 4.008 -6.105 5.789 1.00 11.22 H new ATOM 0 HD12 LEU A 36 4.321 -7.615 6.678 1.00 11.22 H new ATOM 0 HD13 LEU A 36 5.676 -6.695 5.981 1.00 11.22 H new ATOM 0 HD21 LEU A 36 4.251 -6.029 3.333 1.00 62.23 H new ATOM 0 HD22 LEU A 36 5.927 -6.620 3.430 1.00 62.23 H new ATOM 0 HD23 LEU A 36 4.734 -7.485 2.432 1.00 62.23 H new ATOM 761 N LYS A 37 2.434 -10.671 5.826 1.00 71.12 N ATOM 762 CA LYS A 37 1.021 -10.893 5.520 1.00 60.54 C ATOM 763 C LYS A 37 0.325 -9.552 5.311 1.00 24.21 C ATOM 764 O LYS A 37 0.554 -8.614 6.070 1.00 3.53 O ATOM 765 CB LYS A 37 0.338 -11.671 6.650 1.00 11.53 C ATOM 766 CG LYS A 37 -1.047 -12.192 6.287 1.00 13.02 C ATOM 767 CD LYS A 37 -1.114 -13.712 6.358 1.00 72.43 C ATOM 768 CE LYS A 37 -2.242 -14.182 7.267 1.00 71.34 C ATOM 769 NZ LYS A 37 -3.521 -14.367 6.526 1.00 32.13 N ATOM 0 H LYS A 37 2.655 -10.677 6.822 1.00 71.12 H new ATOM 0 HA LYS A 37 0.949 -11.483 4.607 1.00 60.54 H new ATOM 0 HB2 LYS A 37 0.970 -12.513 6.933 1.00 11.53 H new ATOM 0 HB3 LYS A 37 0.256 -11.026 7.525 1.00 11.53 H new ATOM 0 HG2 LYS A 37 -1.786 -11.763 6.964 1.00 13.02 H new ATOM 0 HG3 LYS A 37 -1.307 -11.863 5.281 1.00 13.02 H new ATOM 0 HD2 LYS A 37 -1.260 -14.117 5.357 1.00 72.43 H new ATOM 0 HD3 LYS A 37 -0.164 -14.102 6.724 1.00 72.43 H new ATOM 0 HE2 LYS A 37 -1.958 -15.123 7.739 1.00 71.34 H new ATOM 0 HE3 LYS A 37 -2.389 -13.456 8.066 1.00 71.34 H new ATOM 0 HZ1 LYS A 37 -4.227 -14.799 7.155 1.00 32.13 H new ATOM 0 HZ2 LYS A 37 -3.868 -13.444 6.197 1.00 32.13 H new ATOM 0 HZ3 LYS A 37 -3.361 -14.988 5.707 1.00 32.13 H new ATOM 783 N LEU A 38 -0.504 -9.456 4.271 1.00 53.05 N ATOM 784 CA LEU A 38 -1.199 -8.210 3.968 1.00 55.31 C ATOM 785 C LEU A 38 -2.717 -8.361 3.991 1.00 42.42 C ATOM 786 O LEU A 38 -3.277 -9.315 3.449 1.00 35.15 O ATOM 787 CB LEU A 38 -0.761 -7.687 2.603 1.00 51.31 C ATOM 788 CG LEU A 38 0.329 -6.621 2.639 1.00 54.31 C ATOM 789 CD1 LEU A 38 1.655 -7.226 3.067 1.00 13.53 C ATOM 790 CD2 LEU A 38 0.458 -5.939 1.285 1.00 32.41 C ATOM 0 H LEU A 38 -0.708 -10.222 3.629 1.00 53.05 H new ATOM 0 HA LEU A 38 -0.930 -7.500 4.750 1.00 55.31 H new ATOM 0 HB2 LEU A 38 -0.407 -8.527 2.006 1.00 51.31 H new ATOM 0 HB3 LEU A 38 -1.632 -7.277 2.091 1.00 51.31 H new ATOM 0 HG LEU A 38 0.047 -5.867 3.373 1.00 54.31 H new ATOM 0 HD11 LEU A 38 2.420 -6.450 3.086 1.00 13.53 H new ATOM 0 HD12 LEU A 38 1.553 -7.660 4.062 1.00 13.53 H new ATOM 0 HD13 LEU A 38 1.945 -8.003 2.360 1.00 13.53 H new ATOM 0 HD21 LEU A 38 1.241 -5.182 1.332 1.00 32.41 H new ATOM 0 HD22 LEU A 38 0.714 -6.680 0.528 1.00 32.41 H new ATOM 0 HD23 LEU A 38 -0.489 -5.466 1.024 1.00 32.41 H new ATOM 802 N THR A 39 -3.363 -7.378 4.604 1.00 4.12 N ATOM 803 CA THR A 39 -4.822 -7.319 4.701 1.00 34.14 C ATOM 804 C THR A 39 -5.281 -5.935 4.289 1.00 60.12 C ATOM 805 O THR A 39 -4.786 -4.932 4.798 1.00 0.32 O ATOM 806 CB THR A 39 -5.298 -7.640 6.124 1.00 24.24 C ATOM 807 OG1 THR A 39 -4.509 -8.666 6.708 1.00 60.24 O ATOM 808 CG2 THR A 39 -6.746 -8.084 6.182 1.00 13.24 C ATOM 0 H THR A 39 -2.890 -6.593 5.052 1.00 4.12 H new ATOM 0 HA THR A 39 -5.255 -8.067 4.037 1.00 34.14 H new ATOM 0 HB THR A 39 -5.194 -6.707 6.677 1.00 24.24 H new ATOM 0 HG1 THR A 39 -4.832 -8.851 7.615 1.00 60.24 H new ATOM 0 HG21 THR A 39 -7.021 -8.296 7.215 1.00 13.24 H new ATOM 0 HG22 THR A 39 -7.385 -7.292 5.792 1.00 13.24 H new ATOM 0 HG23 THR A 39 -6.875 -8.984 5.581 1.00 13.24 H new ATOM 816 N ILE A 40 -6.199 -5.888 3.338 1.00 63.45 N ATOM 817 CA ILE A 40 -6.690 -4.623 2.824 1.00 32.40 C ATOM 818 C ILE A 40 -8.124 -4.341 3.274 1.00 3.04 C ATOM 819 O ILE A 40 -9.048 -5.089 2.949 1.00 63.13 O ATOM 820 CB ILE A 40 -6.633 -4.603 1.281 1.00 13.50 C ATOM 821 CG1 ILE A 40 -5.431 -5.403 0.755 1.00 43.23 C ATOM 822 CG2 ILE A 40 -6.585 -3.173 0.768 1.00 45.13 C ATOM 823 CD1 ILE A 40 -4.114 -4.662 0.835 1.00 40.54 C ATOM 0 H ILE A 40 -6.618 -6.712 2.907 1.00 63.45 H new ATOM 0 HA ILE A 40 -6.042 -3.846 3.228 1.00 32.40 H new ATOM 0 HB ILE A 40 -7.540 -5.079 0.908 1.00 13.50 H new ATOM 0 HG12 ILE A 40 -5.349 -6.330 1.322 1.00 43.23 H new ATOM 0 HG13 ILE A 40 -5.618 -5.679 -0.283 1.00 43.23 H new ATOM 0 HG21 ILE A 40 -6.545 -3.178 -0.321 1.00 45.13 H new ATOM 0 HG22 ILE A 40 -7.477 -2.639 1.096 1.00 45.13 H new ATOM 0 HG23 ILE A 40 -5.699 -2.675 1.161 1.00 45.13 H new ATOM 0 HD11 ILE A 40 -3.316 -5.294 0.445 1.00 40.54 H new ATOM 0 HD12 ILE A 40 -4.174 -3.748 0.244 1.00 40.54 H new ATOM 0 HD13 ILE A 40 -3.901 -4.409 1.874 1.00 40.54 H new ATOM 835 N THR A 41 -8.297 -3.241 4.009 1.00 54.24 N ATOM 836 CA THR A 41 -9.613 -2.825 4.496 1.00 51.53 C ATOM 837 C THR A 41 -9.689 -1.293 4.520 1.00 13.25 C ATOM 838 O THR A 41 -8.829 -0.636 5.110 1.00 34.23 O ATOM 839 CB THR A 41 -9.892 -3.404 5.891 1.00 54.44 C ATOM 840 OG1 THR A 41 -8.684 -3.654 6.595 1.00 3.41 O ATOM 841 CG2 THR A 41 -10.672 -4.702 5.851 1.00 35.25 C ATOM 0 H THR A 41 -7.536 -2.619 4.281 1.00 54.24 H new ATOM 0 HA THR A 41 -10.376 -3.211 3.820 1.00 51.53 H new ATOM 0 HB THR A 41 -10.489 -2.646 6.398 1.00 54.44 H new ATOM 0 HG1 THR A 41 -8.067 -2.904 6.463 1.00 3.41 H new ATOM 0 HG21 THR A 41 -10.836 -5.059 6.868 1.00 35.25 H new ATOM 0 HG22 THR A 41 -11.633 -4.534 5.365 1.00 35.25 H new ATOM 0 HG23 THR A 41 -10.108 -5.448 5.291 1.00 35.25 H new ATOM 849 N GLN A 42 -10.693 -0.726 3.844 1.00 12.40 N ATOM 850 CA GLN A 42 -10.835 0.734 3.757 1.00 11.23 C ATOM 851 C GLN A 42 -12.221 1.223 4.164 1.00 64.22 C ATOM 852 O GLN A 42 -13.216 0.507 4.034 1.00 53.05 O ATOM 853 CB GLN A 42 -10.554 1.173 2.316 1.00 71.12 C ATOM 854 CG GLN A 42 -10.561 2.681 2.070 1.00 31.40 C ATOM 855 CD GLN A 42 -11.211 3.030 0.746 1.00 54.33 C ATOM 856 OE1 GLN A 42 -12.433 2.980 0.611 1.00 22.20 O ATOM 857 NE2 GLN A 42 -10.398 3.379 -0.243 1.00 60.41 N ATOM 0 H GLN A 42 -11.416 -1.250 3.351 1.00 12.40 H new ATOM 0 HA GLN A 42 -10.121 1.173 4.454 1.00 11.23 H new ATOM 0 HB2 GLN A 42 -9.582 0.779 2.019 1.00 71.12 H new ATOM 0 HB3 GLN A 42 -11.297 0.714 1.664 1.00 71.12 H new ATOM 0 HG2 GLN A 42 -11.094 3.179 2.880 1.00 31.40 H new ATOM 0 HG3 GLN A 42 -9.538 3.057 2.083 1.00 31.40 H new ATOM 0 HE21 GLN A 42 -9.390 3.408 -0.089 1.00 60.41 H new ATOM 0 HE22 GLN A 42 -10.781 3.619 -1.158 1.00 60.41 H new ATOM 866 N GLU A 43 -12.264 2.475 4.616 1.00 44.32 N ATOM 867 CA GLU A 43 -13.505 3.130 5.007 1.00 55.23 C ATOM 868 C GLU A 43 -13.475 4.581 4.532 1.00 62.13 C ATOM 869 O GLU A 43 -13.260 5.508 5.317 1.00 44.33 O ATOM 870 CB GLU A 43 -13.688 3.073 6.516 1.00 52.44 C ATOM 871 CG GLU A 43 -14.028 1.686 7.040 1.00 11.51 C ATOM 872 CD GLU A 43 -12.939 1.108 7.924 1.00 4.24 C ATOM 873 OE1 GLU A 43 -12.722 1.648 9.030 1.00 12.14 O ATOM 874 OE2 GLU A 43 -12.300 0.118 7.507 1.00 11.50 O ATOM 0 H GLU A 43 -11.437 3.062 4.721 1.00 44.32 H new ATOM 0 HA GLU A 43 -14.346 2.612 4.545 1.00 55.23 H new ATOM 0 HB2 GLU A 43 -12.773 3.419 6.997 1.00 52.44 H new ATOM 0 HB3 GLU A 43 -14.480 3.764 6.803 1.00 52.44 H new ATOM 0 HG2 GLU A 43 -14.960 1.734 7.604 1.00 11.51 H new ATOM 0 HG3 GLU A 43 -14.199 1.016 6.197 1.00 11.51 H new ATOM 881 N GLY A 44 -13.675 4.757 3.232 1.00 54.53 N ATOM 882 CA GLY A 44 -13.658 6.085 2.636 1.00 74.33 C ATOM 883 C GLY A 44 -12.341 6.422 1.985 1.00 73.43 C ATOM 884 O GLY A 44 -11.871 5.716 1.094 1.00 0.12 O ATOM 0 H GLY A 44 -13.850 3.999 2.573 1.00 54.53 H new ATOM 0 HA2 GLY A 44 -14.452 6.154 1.893 1.00 74.33 H new ATOM 0 HA3 GLY A 44 -13.876 6.825 3.406 1.00 74.33 H new ATOM 888 N ASN A 45 -11.749 7.501 2.447 1.00 43.43 N ATOM 889 CA ASN A 45 -10.466 7.963 1.945 1.00 4.35 C ATOM 890 C ASN A 45 -9.377 7.633 2.962 1.00 15.04 C ATOM 891 O ASN A 45 -8.289 8.205 2.945 1.00 13.00 O ATOM 892 CB ASN A 45 -10.544 9.469 1.652 1.00 51.14 C ATOM 893 CG ASN A 45 -9.834 10.341 2.680 1.00 52.31 C ATOM 894 OD1 ASN A 45 -10.227 10.387 3.846 1.00 72.44 O ATOM 895 ND2 ASN A 45 -8.786 11.038 2.252 1.00 42.33 N ATOM 0 H ASN A 45 -12.142 8.087 3.184 1.00 43.43 H new ATOM 0 HA ASN A 45 -10.216 7.456 1.013 1.00 4.35 H new ATOM 0 HB2 ASN A 45 -10.112 9.660 0.670 1.00 51.14 H new ATOM 0 HB3 ASN A 45 -11.592 9.765 1.603 1.00 51.14 H new ATOM 0 HD21 ASN A 45 -8.275 11.639 2.898 1.00 42.33 H new ATOM 0 HD22 ASN A 45 -8.493 10.972 1.277 1.00 42.33 H new ATOM 902 N LYS A 46 -9.691 6.681 3.839 1.00 21.13 N ATOM 903 CA LYS A 46 -8.770 6.246 4.869 1.00 43.55 C ATOM 904 C LYS A 46 -8.653 4.732 4.839 1.00 42.34 C ATOM 905 O LYS A 46 -9.563 4.014 5.261 1.00 1.03 O ATOM 906 CB LYS A 46 -9.247 6.737 6.239 1.00 0.23 C ATOM 907 CG LYS A 46 -8.491 6.138 7.415 1.00 40.04 C ATOM 908 CD LYS A 46 -8.367 7.128 8.565 1.00 20.10 C ATOM 909 CE LYS A 46 -9.724 7.665 9.002 1.00 4.01 C ATOM 910 NZ LYS A 46 -9.642 9.082 9.452 1.00 33.42 N ATOM 0 H LYS A 46 -10.588 6.196 3.850 1.00 21.13 H new ATOM 0 HA LYS A 46 -7.784 6.672 4.683 1.00 43.55 H new ATOM 0 HB2 LYS A 46 -9.153 7.822 6.276 1.00 0.23 H new ATOM 0 HB3 LYS A 46 -10.307 6.505 6.347 1.00 0.23 H new ATOM 0 HG2 LYS A 46 -9.006 5.241 7.760 1.00 40.04 H new ATOM 0 HG3 LYS A 46 -7.497 5.830 7.090 1.00 40.04 H new ATOM 0 HD2 LYS A 46 -7.879 6.643 9.411 1.00 20.10 H new ATOM 0 HD3 LYS A 46 -7.729 7.958 8.262 1.00 20.10 H new ATOM 0 HE2 LYS A 46 -10.429 7.587 8.174 1.00 4.01 H new ATOM 0 HE3 LYS A 46 -10.114 7.049 9.812 1.00 4.01 H new ATOM 0 HZ1 LYS A 46 -10.585 9.518 9.400 1.00 33.42 H new ATOM 0 HZ2 LYS A 46 -9.298 9.115 10.433 1.00 33.42 H new ATOM 0 HZ3 LYS A 46 -8.985 9.604 8.837 1.00 33.42 H new ATOM 924 N PHE A 47 -7.536 4.259 4.311 1.00 54.12 N ATOM 925 CA PHE A 47 -7.290 2.834 4.190 1.00 23.11 C ATOM 926 C PHE A 47 -6.465 2.320 5.353 1.00 33.44 C ATOM 927 O PHE A 47 -5.578 3.012 5.855 1.00 43.04 O ATOM 928 CB PHE A 47 -6.570 2.543 2.880 1.00 1.40 C ATOM 929 CG PHE A 47 -7.185 1.437 2.087 1.00 51.31 C ATOM 930 CD1 PHE A 47 -7.290 0.166 2.618 1.00 71.12 C ATOM 931 CD2 PHE A 47 -7.669 1.674 0.811 1.00 62.42 C ATOM 932 CE1 PHE A 47 -7.869 -0.853 1.888 1.00 25.43 C ATOM 933 CE2 PHE A 47 -8.247 0.660 0.075 1.00 40.13 C ATOM 934 CZ PHE A 47 -8.348 -0.607 0.614 1.00 72.21 C ATOM 0 H PHE A 47 -6.781 4.847 3.957 1.00 54.12 H new ATOM 0 HA PHE A 47 -8.252 2.321 4.201 1.00 23.11 H new ATOM 0 HB2 PHE A 47 -6.558 3.449 2.274 1.00 1.40 H new ATOM 0 HB3 PHE A 47 -5.532 2.290 3.095 1.00 1.40 H new ATOM 0 HD1 PHE A 47 -6.916 -0.032 3.612 1.00 71.12 H new ATOM 0 HD2 PHE A 47 -7.593 2.664 0.387 1.00 62.42 H new ATOM 0 HE1 PHE A 47 -7.948 -1.843 2.312 1.00 25.43 H new ATOM 0 HE2 PHE A 47 -8.619 0.857 -0.920 1.00 40.13 H new ATOM 0 HZ PHE A 47 -8.800 -1.404 0.042 1.00 72.21 H new ATOM 944 N THR A 48 -6.756 1.093 5.760 1.00 41.33 N ATOM 945 CA THR A 48 -6.036 0.463 6.853 1.00 22.53 C ATOM 946 C THR A 48 -5.622 -0.947 6.467 1.00 32.44 C ATOM 947 O THR A 48 -6.467 -1.821 6.257 1.00 34.13 O ATOM 948 CB THR A 48 -6.876 0.444 8.136 1.00 32.31 C ATOM 949 OG1 THR A 48 -7.300 1.754 8.479 1.00 52.13 O ATOM 950 CG2 THR A 48 -6.133 -0.123 9.330 1.00 42.12 C ATOM 0 H THR A 48 -7.488 0.514 5.348 1.00 41.33 H new ATOM 0 HA THR A 48 -5.140 1.052 7.050 1.00 22.53 H new ATOM 0 HB THR A 48 -7.726 -0.202 7.915 1.00 32.31 H new ATOM 0 HG1 THR A 48 -7.836 1.720 9.299 1.00 52.13 H new ATOM 0 HG21 THR A 48 -6.784 -0.108 10.204 1.00 42.12 H new ATOM 0 HG22 THR A 48 -5.834 -1.150 9.118 1.00 42.12 H new ATOM 0 HG23 THR A 48 -5.247 0.480 9.527 1.00 42.12 H new ATOM 958 N VAL A 49 -4.315 -1.157 6.366 1.00 51.55 N ATOM 959 CA VAL A 49 -3.781 -2.455 5.996 1.00 11.04 C ATOM 960 C VAL A 49 -2.978 -3.065 7.142 1.00 32.14 C ATOM 961 O VAL A 49 -2.082 -2.427 7.701 1.00 64.22 O ATOM 962 CB VAL A 49 -2.912 -2.366 4.723 1.00 63.23 C ATOM 963 CG1 VAL A 49 -3.789 -2.140 3.500 1.00 24.14 C ATOM 964 CG2 VAL A 49 -1.874 -1.260 4.844 1.00 12.03 C ATOM 0 H VAL A 49 -3.608 -0.442 6.536 1.00 51.55 H new ATOM 0 HA VAL A 49 -4.630 -3.105 5.783 1.00 11.04 H new ATOM 0 HB VAL A 49 -2.383 -3.312 4.607 1.00 63.23 H new ATOM 0 HG11 VAL A 49 -3.163 -2.079 2.610 1.00 24.14 H new ATOM 0 HG12 VAL A 49 -4.489 -2.969 3.396 1.00 24.14 H new ATOM 0 HG13 VAL A 49 -4.344 -1.209 3.617 1.00 24.14 H new ATOM 0 HG21 VAL A 49 -1.277 -1.221 3.933 1.00 12.03 H new ATOM 0 HG22 VAL A 49 -2.376 -0.304 4.990 1.00 12.03 H new ATOM 0 HG23 VAL A 49 -1.224 -1.462 5.696 1.00 12.03 H new ATOM 974 N LYS A 50 -3.324 -4.300 7.494 1.00 51.25 N ATOM 975 CA LYS A 50 -2.658 -5.010 8.581 1.00 34.22 C ATOM 976 C LYS A 50 -1.529 -5.886 8.049 1.00 73.11 C ATOM 977 O LYS A 50 -1.773 -6.884 7.363 1.00 25.42 O ATOM 978 CB LYS A 50 -3.675 -5.856 9.347 1.00 34.45 C ATOM 979 CG LYS A 50 -3.124 -6.481 10.620 1.00 53.15 C ATOM 980 CD LYS A 50 -4.059 -7.552 11.164 1.00 3.50 C ATOM 981 CE LYS A 50 -4.159 -7.496 12.681 1.00 13.15 C ATOM 982 NZ LYS A 50 -5.402 -6.811 13.133 1.00 34.21 N ATOM 0 H LYS A 50 -4.066 -4.832 7.039 1.00 51.25 H new ATOM 0 HA LYS A 50 -2.222 -4.276 9.259 1.00 34.22 H new ATOM 0 HB2 LYS A 50 -4.533 -5.233 9.602 1.00 34.45 H new ATOM 0 HB3 LYS A 50 -4.039 -6.648 8.693 1.00 34.45 H new ATOM 0 HG2 LYS A 50 -2.146 -6.918 10.418 1.00 53.15 H new ATOM 0 HG3 LYS A 50 -2.978 -5.707 11.373 1.00 53.15 H new ATOM 0 HD2 LYS A 50 -5.050 -7.424 10.729 1.00 3.50 H new ATOM 0 HD3 LYS A 50 -3.702 -8.536 10.859 1.00 3.50 H new ATOM 0 HE2 LYS A 50 -4.136 -8.509 13.084 1.00 13.15 H new ATOM 0 HE3 LYS A 50 -3.291 -6.974 13.083 1.00 13.15 H new ATOM 0 HZ1 LYS A 50 -5.655 -7.144 14.085 1.00 34.21 H new ATOM 0 HZ2 LYS A 50 -5.243 -5.783 13.156 1.00 34.21 H new ATOM 0 HZ3 LYS A 50 -6.177 -7.027 12.473 1.00 34.21 H new ATOM 996 N GLU A 51 -0.294 -5.498 8.367 1.00 41.41 N ATOM 997 CA GLU A 51 0.882 -6.233 7.920 1.00 2.42 C ATOM 998 C GLU A 51 1.672 -6.794 9.101 1.00 40.32 C ATOM 999 O GLU A 51 1.986 -6.075 10.050 1.00 43.43 O ATOM 1000 CB GLU A 51 1.778 -5.326 7.074 1.00 24.43 C ATOM 1001 CG GLU A 51 1.409 -5.318 5.599 1.00 2.05 C ATOM 1002 CD GLU A 51 0.184 -4.473 5.305 1.00 1.34 C ATOM 1003 OE1 GLU A 51 0.334 -3.243 5.165 1.00 61.22 O ATOM 1004 OE2 GLU A 51 -0.926 -5.043 5.213 1.00 43.54 O ATOM 0 H GLU A 51 -0.085 -4.676 8.934 1.00 41.41 H new ATOM 0 HA GLU A 51 0.542 -7.073 7.314 1.00 2.42 H new ATOM 0 HB2 GLU A 51 1.721 -4.308 7.461 1.00 24.43 H new ATOM 0 HB3 GLU A 51 2.813 -5.650 7.180 1.00 24.43 H new ATOM 0 HG2 GLU A 51 2.252 -4.941 5.020 1.00 2.05 H new ATOM 0 HG3 GLU A 51 1.227 -6.341 5.269 1.00 2.05 H new ATOM 1011 N SER A 52 1.996 -8.082 9.026 1.00 34.51 N ATOM 1012 CA SER A 52 2.760 -8.752 10.079 1.00 24.54 C ATOM 1013 C SER A 52 3.888 -9.577 9.465 1.00 41.21 C ATOM 1014 O SER A 52 3.708 -10.194 8.412 1.00 12.32 O ATOM 1015 CB SER A 52 1.845 -9.649 10.917 1.00 0.53 C ATOM 1016 OG SER A 52 0.823 -8.896 11.553 1.00 74.44 O ATOM 0 H SER A 52 1.741 -8.686 8.245 1.00 34.51 H new ATOM 0 HA SER A 52 3.192 -7.993 10.731 1.00 24.54 H new ATOM 0 HB2 SER A 52 1.395 -10.410 10.279 1.00 0.53 H new ATOM 0 HB3 SER A 52 2.435 -10.172 11.669 1.00 0.53 H new ATOM 0 HG SER A 52 0.254 -9.496 12.079 1.00 74.44 H new ATOM 1022 N SER A 53 5.057 -9.571 10.110 1.00 31.11 N ATOM 1023 CA SER A 53 6.208 -10.307 9.599 1.00 14.42 C ATOM 1024 C SER A 53 6.906 -11.117 10.700 1.00 73.11 C ATOM 1025 O SER A 53 6.359 -11.302 11.790 1.00 45.21 O ATOM 1026 CB SER A 53 7.188 -9.333 8.938 1.00 24.21 C ATOM 1027 OG SER A 53 6.504 -8.336 8.193 1.00 41.33 O ATOM 0 H SER A 53 5.228 -9.068 10.981 1.00 31.11 H new ATOM 0 HA SER A 53 5.852 -11.022 8.857 1.00 14.42 H new ATOM 0 HB2 SER A 53 7.804 -8.860 9.702 1.00 24.21 H new ATOM 0 HB3 SER A 53 7.862 -9.882 8.281 1.00 24.21 H new ATOM 0 HG SER A 53 7.155 -7.729 7.784 1.00 41.33 H new ATOM 1033 N ALA A 54 8.104 -11.620 10.389 1.00 53.43 N ATOM 1034 CA ALA A 54 8.879 -12.441 11.323 1.00 52.45 C ATOM 1035 C ALA A 54 9.449 -11.654 12.508 1.00 3.21 C ATOM 1036 O ALA A 54 9.513 -12.184 13.618 1.00 22.41 O ATOM 1037 CB ALA A 54 10.015 -13.135 10.582 1.00 53.02 C ATOM 0 H ALA A 54 8.561 -11.471 9.489 1.00 53.43 H new ATOM 0 HA ALA A 54 8.184 -13.171 11.737 1.00 52.45 H new ATOM 0 HB1 ALA A 54 10.587 -13.744 11.282 1.00 53.02 H new ATOM 0 HB2 ALA A 54 9.603 -13.772 9.799 1.00 53.02 H new ATOM 0 HB3 ALA A 54 10.668 -12.386 10.134 1.00 53.02 H new ATOM 1043 N PHE A 55 9.897 -10.414 12.280 1.00 40.31 N ATOM 1044 CA PHE A 55 10.493 -9.624 13.367 1.00 4.13 C ATOM 1045 C PHE A 55 9.612 -8.462 13.844 1.00 13.44 C ATOM 1046 O PHE A 55 9.959 -7.800 14.824 1.00 34.45 O ATOM 1047 CB PHE A 55 11.881 -9.109 12.967 1.00 55.21 C ATOM 1048 CG PHE A 55 11.909 -8.278 11.716 1.00 23.13 C ATOM 1049 CD1 PHE A 55 11.582 -6.933 11.753 1.00 11.33 C ATOM 1050 CD2 PHE A 55 12.282 -8.841 10.510 1.00 2.34 C ATOM 1051 CE1 PHE A 55 11.629 -6.164 10.604 1.00 72.12 C ATOM 1052 CE2 PHE A 55 12.327 -8.081 9.358 1.00 64.22 C ATOM 1053 CZ PHE A 55 12.001 -6.739 9.404 1.00 72.43 C ATOM 0 H PHE A 55 9.861 -9.943 11.376 1.00 40.31 H new ATOM 0 HA PHE A 55 10.584 -10.306 14.213 1.00 4.13 H new ATOM 0 HB2 PHE A 55 12.284 -8.517 13.789 1.00 55.21 H new ATOM 0 HB3 PHE A 55 12.545 -9.963 12.834 1.00 55.21 H new ATOM 0 HD1 PHE A 55 11.287 -6.480 12.688 1.00 11.33 H new ATOM 0 HD2 PHE A 55 12.542 -9.889 10.468 1.00 2.34 H new ATOM 0 HE1 PHE A 55 11.375 -5.115 10.645 1.00 72.12 H new ATOM 0 HE2 PHE A 55 12.617 -8.535 8.422 1.00 64.22 H new ATOM 0 HZ PHE A 55 12.037 -6.142 8.505 1.00 72.43 H new ATOM 1063 N ARG A 56 8.481 -8.213 13.179 1.00 34.30 N ATOM 1064 CA ARG A 56 7.590 -7.126 13.592 1.00 13.05 C ATOM 1065 C ARG A 56 6.251 -7.173 12.855 1.00 72.24 C ATOM 1066 O ARG A 56 6.162 -7.669 11.731 1.00 13.31 O ATOM 1067 CB ARG A 56 8.271 -5.760 13.392 1.00 13.22 C ATOM 1068 CG ARG A 56 8.112 -5.165 11.998 1.00 32.30 C ATOM 1069 CD ARG A 56 8.235 -3.647 12.031 1.00 24.50 C ATOM 1070 NE ARG A 56 7.877 -3.032 10.752 1.00 53.23 N ATOM 1071 CZ ARG A 56 7.474 -1.764 10.623 1.00 71.23 C ATOM 1072 NH1 ARG A 56 7.356 -0.982 11.694 1.00 1.03 N ATOM 1073 NH2 ARG A 56 7.187 -1.277 9.421 1.00 24.10 N ATOM 0 H ARG A 56 8.164 -8.740 12.365 1.00 34.30 H new ATOM 0 HA ARG A 56 7.382 -7.262 14.653 1.00 13.05 H new ATOM 0 HB2 ARG A 56 7.865 -5.057 14.120 1.00 13.22 H new ATOM 0 HB3 ARG A 56 9.334 -5.865 13.608 1.00 13.22 H new ATOM 0 HG2 ARG A 56 8.870 -5.580 11.334 1.00 32.30 H new ATOM 0 HG3 ARG A 56 7.142 -5.445 11.588 1.00 32.30 H new ATOM 0 HD2 ARG A 56 7.591 -3.250 12.815 1.00 24.50 H new ATOM 0 HD3 ARG A 56 9.258 -3.373 12.289 1.00 24.50 H new ATOM 0 HE ARG A 56 7.939 -3.604 9.910 1.00 53.23 H new ATOM 0 HH11 ARG A 56 7.574 -1.349 12.620 1.00 1.03 H new ATOM 0 HH12 ARG A 56 7.048 -0.015 11.588 1.00 1.03 H new ATOM 0 HH21 ARG A 56 7.274 -1.871 8.596 1.00 24.10 H new ATOM 0 HH22 ARG A 56 6.879 -0.309 9.323 1.00 24.10 H new ATOM 1087 N ASN A 57 5.215 -6.645 13.505 1.00 31.42 N ATOM 1088 CA ASN A 57 3.869 -6.609 12.936 1.00 54.41 C ATOM 1089 C ASN A 57 3.133 -5.344 13.387 1.00 74.24 C ATOM 1090 O ASN A 57 3.061 -5.060 14.582 1.00 24.15 O ATOM 1091 CB ASN A 57 3.086 -7.864 13.345 1.00 24.20 C ATOM 1092 CG ASN A 57 2.493 -7.777 14.740 1.00 73.23 C ATOM 1093 OD1 ASN A 57 3.215 -7.821 15.738 1.00 51.04 O ATOM 1094 ND2 ASN A 57 1.171 -7.656 14.817 1.00 62.42 N ATOM 0 H ASN A 57 5.284 -6.232 14.435 1.00 31.42 H new ATOM 0 HA ASN A 57 3.949 -6.590 11.849 1.00 54.41 H new ATOM 0 HB2 ASN A 57 2.283 -8.032 12.627 1.00 24.20 H new ATOM 0 HB3 ASN A 57 3.747 -8.729 13.293 1.00 24.20 H new ATOM 0 HD21 ASN A 57 0.717 -7.596 15.728 1.00 62.42 H new ATOM 0 HD22 ASN A 57 0.611 -7.624 13.965 1.00 62.42 H new ATOM 1101 N ILE A 58 2.598 -4.580 12.434 1.00 25.12 N ATOM 1102 CA ILE A 58 1.881 -3.345 12.762 1.00 3.13 C ATOM 1103 C ILE A 58 0.806 -3.013 11.724 1.00 64.23 C ATOM 1104 O ILE A 58 0.792 -3.568 10.623 1.00 22.31 O ATOM 1105 CB ILE A 58 2.844 -2.137 12.887 1.00 20.51 C ATOM 1106 CG1 ILE A 58 3.698 -1.984 11.623 1.00 52.23 C ATOM 1107 CG2 ILE A 58 3.731 -2.281 14.116 1.00 75.41 C ATOM 1108 CD1 ILE A 58 4.160 -0.562 11.373 1.00 21.30 C ATOM 0 H ILE A 58 2.646 -4.791 11.437 1.00 25.12 H new ATOM 0 HA ILE A 58 1.402 -3.525 13.725 1.00 3.13 H new ATOM 0 HB ILE A 58 2.241 -1.236 13.001 1.00 20.51 H new ATOM 0 HG12 ILE A 58 4.571 -2.632 11.703 1.00 52.23 H new ATOM 0 HG13 ILE A 58 3.124 -2.328 10.763 1.00 52.23 H new ATOM 0 HG21 ILE A 58 4.399 -1.423 14.185 1.00 75.41 H new ATOM 0 HG22 ILE A 58 3.109 -2.329 15.010 1.00 75.41 H new ATOM 0 HG23 ILE A 58 4.321 -3.194 14.034 1.00 75.41 H new ATOM 0 HD11 ILE A 58 4.759 -0.529 10.463 1.00 21.30 H new ATOM 0 HD12 ILE A 58 3.292 0.088 11.261 1.00 21.30 H new ATOM 0 HD13 ILE A 58 4.762 -0.221 12.216 1.00 21.30 H new ATOM 1120 N GLU A 59 -0.084 -2.088 12.089 1.00 54.42 N ATOM 1121 CA GLU A 59 -1.165 -1.643 11.210 1.00 12.40 C ATOM 1122 C GLU A 59 -0.933 -0.192 10.797 1.00 51.03 C ATOM 1123 O GLU A 59 -0.488 0.625 11.607 1.00 71.13 O ATOM 1124 CB GLU A 59 -2.517 -1.777 11.915 1.00 32.22 C ATOM 1125 CG GLU A 59 -3.203 -3.110 11.661 1.00 25.31 C ATOM 1126 CD GLU A 59 -3.541 -3.852 12.940 1.00 15.25 C ATOM 1127 OE1 GLU A 59 -2.607 -4.193 13.696 1.00 33.42 O ATOM 1128 OE2 GLU A 59 -4.741 -4.100 13.183 1.00 51.24 O ATOM 0 H GLU A 59 -0.075 -1.628 12.999 1.00 54.42 H new ATOM 0 HA GLU A 59 -1.174 -2.272 10.320 1.00 12.40 H new ATOM 0 HB2 GLU A 59 -2.373 -1.650 12.988 1.00 32.22 H new ATOM 0 HB3 GLU A 59 -3.172 -0.971 11.584 1.00 32.22 H new ATOM 0 HG2 GLU A 59 -4.118 -2.940 11.093 1.00 25.31 H new ATOM 0 HG3 GLU A 59 -2.556 -3.734 11.045 1.00 25.31 H new ATOM 1135 N VAL A 60 -1.227 0.125 9.539 1.00 43.31 N ATOM 1136 CA VAL A 60 -1.035 1.484 9.033 1.00 60.32 C ATOM 1137 C VAL A 60 -2.331 2.055 8.465 1.00 25.40 C ATOM 1138 O VAL A 60 -3.047 1.378 7.724 1.00 41.11 O ATOM 1139 CB VAL A 60 0.069 1.537 7.951 1.00 33.43 C ATOM 1140 CG1 VAL A 60 0.199 2.940 7.369 1.00 11.33 C ATOM 1141 CG2 VAL A 60 1.403 1.073 8.523 1.00 22.33 C ATOM 0 H VAL A 60 -1.597 -0.534 8.854 1.00 43.31 H new ATOM 0 HA VAL A 60 -0.723 2.093 9.882 1.00 60.32 H new ATOM 0 HB VAL A 60 -0.218 0.861 7.145 1.00 33.43 H new ATOM 0 HG11 VAL A 60 0.982 2.948 6.611 1.00 11.33 H new ATOM 0 HG12 VAL A 60 -0.747 3.235 6.916 1.00 11.33 H new ATOM 0 HG13 VAL A 60 0.455 3.641 8.163 1.00 11.33 H new ATOM 0 HG21 VAL A 60 2.167 1.117 7.747 1.00 22.33 H new ATOM 0 HG22 VAL A 60 1.689 1.721 9.351 1.00 22.33 H new ATOM 0 HG23 VAL A 60 1.309 0.048 8.881 1.00 22.33 H new ATOM 1151 N VAL A 61 -2.619 3.308 8.818 1.00 51.31 N ATOM 1152 CA VAL A 61 -3.821 3.987 8.347 1.00 14.14 C ATOM 1153 C VAL A 61 -3.480 5.369 7.784 1.00 23.40 C ATOM 1154 O VAL A 61 -3.023 6.255 8.512 1.00 4.12 O ATOM 1155 CB VAL A 61 -4.877 4.119 9.470 1.00 72.31 C ATOM 1156 CG1 VAL A 61 -4.296 4.810 10.697 1.00 62.11 C ATOM 1157 CG2 VAL A 61 -6.106 4.858 8.963 1.00 63.33 C ATOM 0 H VAL A 61 -2.032 3.873 9.431 1.00 51.31 H new ATOM 0 HA VAL A 61 -4.247 3.376 7.551 1.00 14.14 H new ATOM 0 HB VAL A 61 -5.178 3.115 9.768 1.00 72.31 H new ATOM 0 HG11 VAL A 61 -5.063 4.888 11.468 1.00 62.11 H new ATOM 0 HG12 VAL A 61 -3.456 4.229 11.078 1.00 62.11 H new ATOM 0 HG13 VAL A 61 -3.953 5.808 10.424 1.00 62.11 H new ATOM 0 HG21 VAL A 61 -6.838 4.941 9.767 1.00 63.33 H new ATOM 0 HG22 VAL A 61 -5.819 5.855 8.629 1.00 63.33 H new ATOM 0 HG23 VAL A 61 -6.543 4.308 8.130 1.00 63.33 H new ATOM 1167 N PHE A 62 -3.691 5.537 6.480 1.00 52.13 N ATOM 1168 CA PHE A 62 -3.397 6.793 5.802 1.00 12.54 C ATOM 1169 C PHE A 62 -4.671 7.453 5.263 1.00 3.10 C ATOM 1170 O PHE A 62 -5.779 6.952 5.474 1.00 42.14 O ATOM 1171 CB PHE A 62 -2.384 6.541 4.669 1.00 24.43 C ATOM 1172 CG PHE A 62 -2.957 5.993 3.373 1.00 24.13 C ATOM 1173 CD1 PHE A 62 -4.284 5.588 3.264 1.00 73.34 C ATOM 1174 CD2 PHE A 62 -2.152 5.901 2.250 1.00 32.33 C ATOM 1175 CE1 PHE A 62 -4.785 5.108 2.070 1.00 40.54 C ATOM 1176 CE2 PHE A 62 -2.650 5.416 1.057 1.00 5.22 C ATOM 1177 CZ PHE A 62 -3.967 5.021 0.967 1.00 2.24 C ATOM 0 H PHE A 62 -4.068 4.811 5.870 1.00 52.13 H new ATOM 0 HA PHE A 62 -2.961 7.484 6.524 1.00 12.54 H new ATOM 0 HB2 PHE A 62 -1.874 7.479 4.450 1.00 24.43 H new ATOM 0 HB3 PHE A 62 -1.628 5.844 5.032 1.00 24.43 H new ATOM 0 HD1 PHE A 62 -4.932 5.650 4.126 1.00 73.34 H new ATOM 0 HD2 PHE A 62 -1.120 6.213 2.308 1.00 32.33 H new ATOM 0 HE1 PHE A 62 -5.818 4.801 2.002 1.00 40.54 H new ATOM 0 HE2 PHE A 62 -2.006 5.346 0.193 1.00 5.22 H new ATOM 0 HZ PHE A 62 -4.356 4.644 0.033 1.00 2.24 H new ATOM 1187 N GLU A 63 -4.501 8.567 4.555 1.00 63.42 N ATOM 1188 CA GLU A 63 -5.626 9.279 3.964 1.00 3.42 C ATOM 1189 C GLU A 63 -5.247 9.815 2.593 1.00 41.15 C ATOM 1190 O GLU A 63 -4.240 10.514 2.451 1.00 14.31 O ATOM 1191 CB GLU A 63 -6.083 10.423 4.864 1.00 15.30 C ATOM 1192 CG GLU A 63 -7.276 10.061 5.733 1.00 5.21 C ATOM 1193 CD GLU A 63 -6.940 10.027 7.211 1.00 21.41 C ATOM 1194 OE1 GLU A 63 -5.860 9.508 7.566 1.00 73.55 O ATOM 1195 OE2 GLU A 63 -7.760 10.515 8.015 1.00 23.24 O ATOM 0 H GLU A 63 -3.592 8.995 4.378 1.00 63.42 H new ATOM 0 HA GLU A 63 -6.453 8.577 3.857 1.00 3.42 H new ATOM 0 HB2 GLU A 63 -5.254 10.727 5.504 1.00 15.30 H new ATOM 0 HB3 GLU A 63 -6.340 11.283 4.245 1.00 15.30 H new ATOM 0 HG2 GLU A 63 -8.075 10.783 5.564 1.00 5.21 H new ATOM 0 HG3 GLU A 63 -7.658 9.086 5.430 1.00 5.21 H new ATOM 1202 N LEU A 64 -6.046 9.482 1.580 1.00 41.24 N ATOM 1203 CA LEU A 64 -5.769 9.937 0.224 1.00 25.31 C ATOM 1204 C LEU A 64 -5.750 11.459 0.160 1.00 64.21 C ATOM 1205 O LEU A 64 -6.790 12.112 0.260 1.00 75.33 O ATOM 1206 CB LEU A 64 -6.797 9.378 -0.765 1.00 72.43 C ATOM 1207 CG LEU A 64 -6.677 7.879 -1.057 1.00 43.35 C ATOM 1208 CD1 LEU A 64 -7.687 7.461 -2.113 1.00 25.50 C ATOM 1209 CD2 LEU A 64 -5.263 7.527 -1.502 1.00 34.21 C ATOM 0 H LEU A 64 -6.882 8.904 1.673 1.00 41.24 H new ATOM 0 HA LEU A 64 -4.785 9.564 -0.058 1.00 25.31 H new ATOM 0 HB2 LEU A 64 -7.796 9.577 -0.377 1.00 72.43 H new ATOM 0 HB3 LEU A 64 -6.706 9.923 -1.705 1.00 72.43 H new ATOM 0 HG LEU A 64 -6.891 7.334 -0.138 1.00 43.35 H new ATOM 0 HD11 LEU A 64 -7.588 6.393 -2.309 1.00 25.50 H new ATOM 0 HD12 LEU A 64 -8.695 7.673 -1.756 1.00 25.50 H new ATOM 0 HD13 LEU A 64 -7.503 8.017 -3.032 1.00 25.50 H new ATOM 0 HD21 LEU A 64 -5.201 6.458 -1.704 1.00 34.21 H new ATOM 0 HD22 LEU A 64 -5.018 8.082 -2.407 1.00 34.21 H new ATOM 0 HD23 LEU A 64 -4.558 7.789 -0.713 1.00 34.21 H new ATOM 1221 N GLY A 65 -4.551 12.008 -0.003 1.00 13.13 N ATOM 1222 CA GLY A 65 -4.387 13.453 -0.081 1.00 61.23 C ATOM 1223 C GLY A 65 -3.969 14.094 1.237 1.00 33.40 C ATOM 1224 O GLY A 65 -3.942 15.321 1.342 1.00 31.14 O ATOM 0 H GLY A 65 -3.684 11.477 -0.083 1.00 13.13 H new ATOM 0 HA2 GLY A 65 -3.640 13.685 -0.840 1.00 61.23 H new ATOM 0 HA3 GLY A 65 -5.325 13.899 -0.410 1.00 61.23 H new ATOM 1228 N VAL A 66 -3.645 13.276 2.242 1.00 54.12 N ATOM 1229 CA VAL A 66 -3.234 13.791 3.549 1.00 53.02 C ATOM 1230 C VAL A 66 -1.847 13.273 3.928 1.00 43.05 C ATOM 1231 O VAL A 66 -1.666 12.076 4.157 1.00 34.55 O ATOM 1232 CB VAL A 66 -4.243 13.401 4.651 1.00 4.02 C ATOM 1233 CG1 VAL A 66 -4.063 14.281 5.879 1.00 63.24 C ATOM 1234 CG2 VAL A 66 -5.672 13.490 4.131 1.00 60.25 C ATOM 0 H VAL A 66 -3.659 12.258 2.175 1.00 54.12 H new ATOM 0 HA VAL A 66 -3.203 14.878 3.470 1.00 53.02 H new ATOM 0 HB VAL A 66 -4.050 12.368 4.939 1.00 4.02 H new ATOM 0 HG11 VAL A 66 -4.783 13.990 6.644 1.00 63.24 H new ATOM 0 HG12 VAL A 66 -3.052 14.160 6.268 1.00 63.24 H new ATOM 0 HG13 VAL A 66 -4.225 15.324 5.606 1.00 63.24 H new ATOM 0 HG21 VAL A 66 -6.366 13.211 4.924 1.00 60.25 H new ATOM 0 HG22 VAL A 66 -5.879 14.511 3.810 1.00 60.25 H new ATOM 0 HG23 VAL A 66 -5.795 12.812 3.286 1.00 60.25 H new ATOM 1244 N THR A 67 -0.870 14.180 3.982 1.00 22.33 N ATOM 1245 CA THR A 67 0.505 13.813 4.320 1.00 62.25 C ATOM 1246 C THR A 67 0.682 13.590 5.819 1.00 44.54 C ATOM 1247 O THR A 67 0.080 14.287 6.640 1.00 11.02 O ATOM 1248 CB THR A 67 1.486 14.887 3.833 1.00 75.24 C ATOM 1249 OG1 THR A 67 1.133 15.343 2.538 1.00 3.31 O ATOM 1250 CG2 THR A 67 2.923 14.405 3.772 1.00 44.42 C ATOM 0 H THR A 67 -1.006 15.174 3.796 1.00 22.33 H new ATOM 0 HA THR A 67 0.721 12.872 3.813 1.00 62.25 H new ATOM 0 HB THR A 67 1.418 15.690 4.567 1.00 75.24 H new ATOM 0 HG1 THR A 67 1.770 16.028 2.248 1.00 3.31 H new ATOM 0 HG21 THR A 67 3.563 15.214 3.420 1.00 44.42 H new ATOM 0 HG22 THR A 67 3.245 14.094 4.766 1.00 44.42 H new ATOM 0 HG23 THR A 67 2.995 13.561 3.086 1.00 44.42 H new ATOM 1258 N PHE A 68 1.527 12.616 6.164 1.00 31.50 N ATOM 1259 CA PHE A 68 1.809 12.296 7.560 1.00 0.00 C ATOM 1260 C PHE A 68 3.268 11.864 7.735 1.00 75.51 C ATOM 1261 O PHE A 68 3.993 11.671 6.754 1.00 12.33 O ATOM 1262 CB PHE A 68 0.854 11.206 8.073 1.00 52.04 C ATOM 1263 CG PHE A 68 1.222 9.806 7.656 1.00 41.54 C ATOM 1264 CD1 PHE A 68 0.785 9.292 6.447 1.00 20.41 C ATOM 1265 CD2 PHE A 68 2.003 9.005 8.476 1.00 12.23 C ATOM 1266 CE1 PHE A 68 1.118 8.007 6.062 1.00 5.12 C ATOM 1267 CE2 PHE A 68 2.339 7.720 8.097 1.00 43.01 C ATOM 1268 CZ PHE A 68 1.896 7.220 6.888 1.00 44.54 C ATOM 0 H PHE A 68 2.028 12.035 5.492 1.00 31.50 H new ATOM 0 HA PHE A 68 1.648 13.196 8.153 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.823 11.251 9.162 1.00 52.04 H new ATOM 0 HB3 PHE A 68 -0.152 11.425 7.716 1.00 52.04 H new ATOM 0 HD1 PHE A 68 0.176 9.903 5.797 1.00 20.41 H new ATOM 0 HD2 PHE A 68 2.353 9.391 9.422 1.00 12.23 H new ATOM 0 HE1 PHE A 68 0.770 7.619 5.116 1.00 5.12 H new ATOM 0 HE2 PHE A 68 2.947 7.107 8.745 1.00 43.01 H new ATOM 0 HZ PHE A 68 2.158 6.216 6.589 1.00 44.54 H new ATOM 1278 N ASN A 69 3.688 11.721 8.989 1.00 43.12 N ATOM 1279 CA ASN A 69 5.053 11.317 9.309 1.00 25.13 C ATOM 1280 C ASN A 69 5.116 9.826 9.650 1.00 33.41 C ATOM 1281 O ASN A 69 4.400 9.349 10.534 1.00 42.23 O ATOM 1282 CB ASN A 69 5.595 12.168 10.472 1.00 45.42 C ATOM 1283 CG ASN A 69 6.548 11.409 11.383 1.00 0.14 C ATOM 1284 OD1 ASN A 69 7.616 10.863 10.811 1.00 45.12 O flip ATOM 1285 ND2 ASN A 69 6.324 11.316 12.590 1.00 22.53 N flip ATOM 0 H ASN A 69 3.097 11.880 9.805 1.00 43.12 H new ATOM 0 HA ASN A 69 5.679 11.484 8.433 1.00 25.13 H new ATOM 0 HB2 ASN A 69 6.109 13.039 10.066 1.00 45.42 H new ATOM 0 HB3 ASN A 69 4.757 12.538 11.063 1.00 45.42 H new ATOM 0 HD21 ASN A 69 5.492 11.750 12.989 1.00 22.53 H new ATOM 0 HD22 ASN A 69 6.971 10.805 13.191 1.00 22.53 H new ATOM 1292 N TYR A 70 5.985 9.102 8.946 1.00 24.33 N ATOM 1293 CA TYR A 70 6.159 7.670 9.170 1.00 33.55 C ATOM 1294 C TYR A 70 7.573 7.381 9.682 1.00 23.32 C ATOM 1295 O TYR A 70 8.525 8.083 9.326 1.00 71.21 O ATOM 1296 CB TYR A 70 5.888 6.895 7.873 1.00 55.41 C ATOM 1297 CG TYR A 70 6.154 5.409 7.983 1.00 73.43 C ATOM 1298 CD1 TYR A 70 5.187 4.542 8.481 1.00 51.04 C ATOM 1299 CD2 TYR A 70 7.375 4.874 7.592 1.00 40.22 C ATOM 1300 CE1 TYR A 70 5.431 3.186 8.585 1.00 13.53 C ATOM 1301 CE2 TYR A 70 7.625 3.521 7.694 1.00 25.40 C ATOM 1302 CZ TYR A 70 6.652 2.680 8.190 1.00 2.22 C ATOM 1303 OH TYR A 70 6.901 1.330 8.291 1.00 53.12 O ATOM 0 H TYR A 70 6.581 9.487 8.213 1.00 24.33 H new ATOM 0 HA TYR A 70 5.445 7.343 9.926 1.00 33.55 H new ATOM 0 HB2 TYR A 70 4.850 7.048 7.579 1.00 55.41 H new ATOM 0 HB3 TYR A 70 6.508 7.308 7.078 1.00 55.41 H new ATOM 0 HD1 TYR A 70 4.230 4.935 8.791 1.00 51.04 H new ATOM 0 HD2 TYR A 70 8.141 5.528 7.202 1.00 40.22 H new ATOM 0 HE1 TYR A 70 4.670 2.526 8.974 1.00 13.53 H new ATOM 0 HE2 TYR A 70 8.580 3.122 7.386 1.00 25.40 H new ATOM 0 HH TYR A 70 7.807 1.140 7.970 1.00 53.12 H new ATOM 1313 N ASN A 71 7.706 6.352 10.526 1.00 0.22 N ATOM 1314 CA ASN A 71 9.002 5.986 11.089 1.00 4.24 C ATOM 1315 C ASN A 71 9.511 4.667 10.516 1.00 61.42 C ATOM 1316 O ASN A 71 8.738 3.732 10.307 1.00 34.32 O ATOM 1317 CB ASN A 71 8.910 5.883 12.611 1.00 22.50 C ATOM 1318 CG ASN A 71 10.175 6.361 13.288 1.00 0.31 C ATOM 1319 OD1 ASN A 71 10.780 5.641 14.083 1.00 1.51 O ATOM 1320 ND2 ASN A 71 10.587 7.580 12.972 1.00 31.50 N ATOM 0 H ASN A 71 6.932 5.762 10.831 1.00 0.22 H new ATOM 0 HA ASN A 71 9.709 6.770 10.819 1.00 4.24 H new ATOM 0 HB2 ASN A 71 8.064 6.473 12.964 1.00 22.50 H new ATOM 0 HB3 ASN A 71 8.716 4.848 12.893 1.00 22.50 H new ATOM 0 HD21 ASN A 71 11.437 7.956 13.393 1.00 31.50 H new ATOM 0 HD22 ASN A 71 10.054 8.142 12.308 1.00 31.50 H new ATOM 1327 N LEU A 72 10.820 4.600 10.274 1.00 4.10 N ATOM 1328 CA LEU A 72 11.447 3.397 9.731 1.00 63.14 C ATOM 1329 C LEU A 72 11.812 2.411 10.847 1.00 51.42 C ATOM 1330 O LEU A 72 11.408 2.588 11.999 1.00 45.31 O ATOM 1331 CB LEU A 72 12.691 3.779 8.920 1.00 43.25 C ATOM 1332 CG LEU A 72 12.421 4.123 7.453 1.00 71.12 C ATOM 1333 CD1 LEU A 72 13.458 5.105 6.930 1.00 33.34 C ATOM 1334 CD2 LEU A 72 12.400 2.861 6.601 1.00 72.12 C ATOM 0 H LEU A 72 11.468 5.368 10.447 1.00 4.10 H new ATOM 0 HA LEU A 72 10.732 2.902 9.073 1.00 63.14 H new ATOM 0 HB2 LEU A 72 13.170 4.634 9.397 1.00 43.25 H new ATOM 0 HB3 LEU A 72 13.401 2.953 8.960 1.00 43.25 H new ATOM 0 HG LEU A 72 11.441 4.596 7.389 1.00 71.12 H new ATOM 0 HD11 LEU A 72 13.247 5.335 5.886 1.00 33.34 H new ATOM 0 HD12 LEU A 72 13.420 6.022 7.519 1.00 33.34 H new ATOM 0 HD13 LEU A 72 14.451 4.663 7.010 1.00 33.34 H new ATOM 0 HD21 LEU A 72 12.207 3.127 5.562 1.00 72.12 H new ATOM 0 HD22 LEU A 72 13.364 2.357 6.673 1.00 72.12 H new ATOM 0 HD23 LEU A 72 11.614 2.195 6.957 1.00 72.12 H new ATOM 1346 N ALA A 73 12.571 1.367 10.498 1.00 21.44 N ATOM 1347 CA ALA A 73 12.984 0.350 11.467 1.00 34.41 C ATOM 1348 C ALA A 73 14.161 0.818 12.338 1.00 52.04 C ATOM 1349 O ALA A 73 14.467 0.186 13.350 1.00 12.52 O ATOM 1350 CB ALA A 73 13.345 -0.946 10.746 1.00 51.52 C ATOM 0 H ALA A 73 12.911 1.205 9.550 1.00 21.44 H new ATOM 0 HA ALA A 73 12.139 0.174 12.133 1.00 34.41 H new ATOM 0 HB1 ALA A 73 13.651 -1.695 11.476 1.00 51.52 H new ATOM 0 HB2 ALA A 73 12.478 -1.309 10.194 1.00 51.52 H new ATOM 0 HB3 ALA A 73 14.165 -0.760 10.052 1.00 51.52 H new ATOM 1356 N ASP A 74 14.827 1.911 11.943 1.00 74.13 N ATOM 1357 CA ASP A 74 15.973 2.426 12.702 1.00 25.12 C ATOM 1358 C ASP A 74 15.681 3.766 13.387 1.00 64.22 C ATOM 1359 O ASP A 74 16.486 4.231 14.197 1.00 4.40 O ATOM 1360 CB ASP A 74 17.188 2.580 11.783 1.00 60.12 C ATOM 1361 CG ASP A 74 17.955 1.284 11.614 1.00 61.21 C ATOM 1362 OD1 ASP A 74 18.273 0.644 12.639 1.00 1.00 O ATOM 1363 OD2 ASP A 74 18.236 0.909 10.455 1.00 5.34 O ATOM 0 H ASP A 74 14.594 2.451 11.110 1.00 74.13 H new ATOM 0 HA ASP A 74 16.181 1.697 13.485 1.00 25.12 H new ATOM 0 HB2 ASP A 74 16.858 2.933 10.806 1.00 60.12 H new ATOM 0 HB3 ASP A 74 17.853 3.342 12.190 1.00 60.12 H new ATOM 1368 N GLY A 75 14.542 4.387 13.070 1.00 41.01 N ATOM 1369 CA GLY A 75 14.200 5.664 13.679 1.00 0.13 C ATOM 1370 C GLY A 75 14.058 6.795 12.669 1.00 72.32 C ATOM 1371 O GLY A 75 13.467 7.828 12.984 1.00 65.34 O ATOM 0 H GLY A 75 13.855 4.030 12.406 1.00 41.01 H new ATOM 0 HA2 GLY A 75 13.265 5.558 14.229 1.00 0.13 H new ATOM 0 HA3 GLY A 75 14.968 5.929 14.405 1.00 0.13 H new ATOM 1375 N THR A 76 14.598 6.604 11.458 1.00 71.52 N ATOM 1376 CA THR A 76 14.520 7.623 10.407 1.00 14.02 C ATOM 1377 C THR A 76 13.067 7.997 10.122 1.00 24.24 C ATOM 1378 O THR A 76 12.209 7.123 9.974 1.00 72.14 O ATOM 1379 CB THR A 76 15.196 7.124 9.122 1.00 43.14 C ATOM 1380 OG1 THR A 76 16.527 6.708 9.382 1.00 2.34 O ATOM 1381 CG2 THR A 76 15.244 8.164 8.014 1.00 5.13 C ATOM 0 H THR A 76 15.092 5.755 11.184 1.00 71.52 H new ATOM 0 HA THR A 76 15.045 8.511 10.758 1.00 14.02 H new ATOM 0 HB THR A 76 14.580 6.291 8.783 1.00 43.14 H new ATOM 0 HG1 THR A 76 16.939 6.392 8.551 1.00 2.34 H new ATOM 0 HG21 THR A 76 15.735 7.740 7.138 1.00 5.13 H new ATOM 0 HG22 THR A 76 14.229 8.463 7.752 1.00 5.13 H new ATOM 0 HG23 THR A 76 15.802 9.035 8.357 1.00 5.13 H new ATOM 1389 N GLU A 77 12.798 9.299 10.054 1.00 21.10 N ATOM 1390 CA GLU A 77 11.447 9.790 9.796 1.00 65.25 C ATOM 1391 C GLU A 77 11.328 10.367 8.390 1.00 53.33 C ATOM 1392 O GLU A 77 12.116 11.227 7.992 1.00 12.43 O ATOM 1393 CB GLU A 77 11.056 10.861 10.821 1.00 4.23 C ATOM 1394 CG GLU A 77 11.527 10.568 12.242 1.00 42.22 C ATOM 1395 CD GLU A 77 10.415 10.646 13.278 1.00 55.32 C ATOM 1396 OE1 GLU A 77 9.390 11.310 13.015 1.00 41.12 O ATOM 1397 OE2 GLU A 77 10.570 10.037 14.357 1.00 73.52 O ATOM 0 H GLU A 77 13.497 10.032 10.174 1.00 21.10 H new ATOM 0 HA GLU A 77 10.769 8.941 9.884 1.00 65.25 H new ATOM 0 HB2 GLU A 77 11.468 11.819 10.504 1.00 4.23 H new ATOM 0 HB3 GLU A 77 9.971 10.966 10.824 1.00 4.23 H new ATOM 0 HG2 GLU A 77 11.971 9.573 12.271 1.00 42.22 H new ATOM 0 HG3 GLU A 77 12.312 11.275 12.509 1.00 42.22 H new ATOM 1404 N LEU A 78 10.323 9.899 7.650 1.00 44.02 N ATOM 1405 CA LEU A 78 10.076 10.380 6.293 1.00 74.41 C ATOM 1406 C LEU A 78 8.711 11.052 6.223 1.00 65.44 C ATOM 1407 O LEU A 78 7.818 10.750 7.020 1.00 53.24 O ATOM 1408 CB LEU A 78 10.120 9.243 5.255 1.00 53.34 C ATOM 1409 CG LEU A 78 11.143 8.122 5.484 1.00 24.10 C ATOM 1410 CD1 LEU A 78 12.410 8.637 6.155 1.00 43.13 C ATOM 1411 CD2 LEU A 78 10.514 6.996 6.290 1.00 53.31 C ATOM 0 H LEU A 78 9.667 9.186 7.969 1.00 44.02 H new ATOM 0 HA LEU A 78 10.868 11.090 6.056 1.00 74.41 H new ATOM 0 HB2 LEU A 78 9.129 8.791 5.207 1.00 53.34 H new ATOM 0 HB3 LEU A 78 10.316 9.685 4.278 1.00 53.34 H new ATOM 0 HG LEU A 78 11.438 7.733 4.510 1.00 24.10 H new ATOM 0 HD11 LEU A 78 13.107 7.811 6.298 1.00 43.13 H new ATOM 0 HD12 LEU A 78 12.872 9.397 5.525 1.00 43.13 H new ATOM 0 HD13 LEU A 78 12.158 9.072 7.122 1.00 43.13 H new ATOM 0 HD21 LEU A 78 11.249 6.206 6.446 1.00 53.31 H new ATOM 0 HD22 LEU A 78 10.183 7.380 7.255 1.00 53.31 H new ATOM 0 HD23 LEU A 78 9.659 6.594 5.747 1.00 53.31 H new ATOM 1423 N ARG A 79 8.548 11.942 5.252 1.00 45.21 N ATOM 1424 CA ARG A 79 7.288 12.638 5.053 1.00 51.34 C ATOM 1425 C ARG A 79 6.721 12.267 3.690 1.00 35.54 C ATOM 1426 O ARG A 79 7.330 12.563 2.658 1.00 14.43 O ATOM 1427 CB ARG A 79 7.487 14.152 5.161 1.00 45.42 C ATOM 1428 CG ARG A 79 6.420 14.849 5.990 1.00 13.20 C ATOM 1429 CD ARG A 79 5.730 15.950 5.198 1.00 13.10 C ATOM 1430 NE ARG A 79 6.676 16.957 4.718 1.00 40.04 N ATOM 1431 CZ ARG A 79 6.429 17.803 3.715 1.00 14.34 C ATOM 1432 NH1 ARG A 79 5.263 17.774 3.072 1.00 31.25 N ATOM 1433 NH2 ARG A 79 7.356 18.683 3.355 1.00 63.35 N ATOM 0 H ARG A 79 9.279 12.198 4.588 1.00 45.21 H new ATOM 0 HA ARG A 79 6.584 12.338 5.829 1.00 51.34 H new ATOM 0 HB2 ARG A 79 8.464 14.351 5.601 1.00 45.42 H new ATOM 0 HB3 ARG A 79 7.495 14.581 4.159 1.00 45.42 H new ATOM 0 HG2 ARG A 79 5.681 14.120 6.321 1.00 13.20 H new ATOM 0 HG3 ARG A 79 6.873 15.273 6.886 1.00 13.20 H new ATOM 0 HD2 ARG A 79 5.206 15.511 4.349 1.00 13.10 H new ATOM 0 HD3 ARG A 79 4.977 16.429 5.824 1.00 13.10 H new ATOM 0 HE ARG A 79 7.584 17.017 5.180 1.00 40.04 H new ATOM 0 HH11 ARG A 79 4.547 17.100 3.344 1.00 31.25 H new ATOM 0 HH12 ARG A 79 5.086 18.425 2.307 1.00 31.25 H new ATOM 0 HH21 ARG A 79 8.251 18.710 3.844 1.00 63.35 H new ATOM 0 HH22 ARG A 79 7.173 19.332 2.590 1.00 63.35 H new ATOM 1447 N GLY A 80 5.569 11.600 3.688 1.00 20.12 N ATOM 1448 CA GLY A 80 4.966 11.184 2.434 1.00 5.12 C ATOM 1449 C GLY A 80 3.591 10.560 2.604 1.00 23.10 C ATOM 1450 O GLY A 80 3.081 10.451 3.724 1.00 3.42 O ATOM 0 H GLY A 80 5.047 11.342 4.525 1.00 20.12 H new ATOM 0 HA2 GLY A 80 4.886 12.048 1.774 1.00 5.12 H new ATOM 0 HA3 GLY A 80 5.624 10.467 1.943 1.00 5.12 H new ATOM 1454 N THR A 81 3.001 10.140 1.480 1.00 23.20 N ATOM 1455 CA THR A 81 1.678 9.503 1.467 1.00 3.01 C ATOM 1456 C THR A 81 1.281 9.113 0.043 1.00 23.23 C ATOM 1457 O THR A 81 2.102 9.163 -0.876 1.00 65.31 O ATOM 1458 CB THR A 81 0.600 10.424 2.064 1.00 44.13 C ATOM 1459 OG1 THR A 81 1.083 11.745 2.232 1.00 5.01 O ATOM 1460 CG2 THR A 81 0.075 9.935 3.400 1.00 53.55 C ATOM 0 H THR A 81 3.424 10.231 0.556 1.00 23.20 H new ATOM 0 HA THR A 81 1.747 8.607 2.083 1.00 3.01 H new ATOM 0 HB THR A 81 -0.219 10.411 1.344 1.00 44.13 H new ATOM 0 HG1 THR A 81 0.448 12.378 1.838 1.00 5.01 H new ATOM 0 HG21 THR A 81 -0.682 10.627 3.769 1.00 53.55 H new ATOM 0 HG22 THR A 81 -0.366 8.946 3.278 1.00 53.55 H new ATOM 0 HG23 THR A 81 0.896 9.880 4.115 1.00 53.55 H new ATOM 1468 N TRP A 82 0.015 8.731 -0.133 1.00 2.44 N ATOM 1469 CA TRP A 82 -0.492 8.342 -1.442 1.00 71.44 C ATOM 1470 C TRP A 82 -1.585 9.295 -1.916 1.00 1.42 C ATOM 1471 O TRP A 82 -2.186 10.021 -1.119 1.00 12.53 O ATOM 1472 CB TRP A 82 -1.036 6.916 -1.399 1.00 1.30 C ATOM 1473 CG TRP A 82 0.036 5.870 -1.386 1.00 33.42 C ATOM 1474 CD1 TRP A 82 0.976 5.670 -0.418 1.00 4.21 C ATOM 1475 CD2 TRP A 82 0.279 4.882 -2.393 1.00 22.31 C ATOM 1476 NE1 TRP A 82 1.789 4.618 -0.762 1.00 0.34 N ATOM 1477 CE2 TRP A 82 1.380 4.116 -1.967 1.00 33.30 C ATOM 1478 CE3 TRP A 82 -0.329 4.568 -3.611 1.00 34.10 C ATOM 1479 CZ2 TRP A 82 1.886 3.060 -2.717 1.00 32.11 C ATOM 1480 CZ3 TRP A 82 0.176 3.519 -4.354 1.00 51.42 C ATOM 1481 CH2 TRP A 82 1.273 2.776 -3.904 1.00 21.24 C ATOM 0 H TRP A 82 -0.675 8.684 0.617 1.00 2.44 H new ATOM 0 HA TRP A 82 0.338 8.390 -2.147 1.00 71.44 H new ATOM 0 HB2 TRP A 82 -1.658 6.799 -0.512 1.00 1.30 H new ATOM 0 HB3 TRP A 82 -1.680 6.755 -2.263 1.00 1.30 H new ATOM 0 HD1 TRP A 82 1.067 6.253 0.486 1.00 4.21 H new ATOM 0 HE1 TRP A 82 2.571 4.268 -0.209 1.00 0.34 H new ATOM 0 HE3 TRP A 82 -1.178 5.135 -3.965 1.00 34.10 H new ATOM 0 HZ2 TRP A 82 2.733 2.485 -2.373 1.00 32.11 H new ATOM 0 HZ3 TRP A 82 -0.284 3.268 -5.298 1.00 51.42 H new ATOM 0 HH2 TRP A 82 1.643 1.961 -4.508 1.00 21.24 H new ATOM 1492 N SER A 83 -1.838 9.277 -3.221 1.00 0.45 N ATOM 1493 CA SER A 83 -2.857 10.122 -3.826 1.00 45.33 C ATOM 1494 C SER A 83 -3.115 9.702 -5.263 1.00 14.00 C ATOM 1495 O SER A 83 -2.198 9.675 -6.085 1.00 21.33 O ATOM 1496 CB SER A 83 -2.443 11.596 -3.775 1.00 45.54 C ATOM 1497 OG SER A 83 -3.380 12.358 -3.033 1.00 64.21 O ATOM 0 H SER A 83 -1.345 8.679 -3.884 1.00 0.45 H new ATOM 0 HA SER A 83 -3.777 10.001 -3.255 1.00 45.33 H new ATOM 0 HB2 SER A 83 -1.455 11.685 -3.322 1.00 45.54 H new ATOM 0 HB3 SER A 83 -2.366 11.992 -4.788 1.00 45.54 H new ATOM 0 HG SER A 83 -3.095 13.296 -3.012 1.00 64.21 H new ATOM 1503 N LEU A 84 -4.369 9.376 -5.562 1.00 31.40 N ATOM 1504 CA LEU A 84 -4.744 8.961 -6.902 1.00 34.22 C ATOM 1505 C LEU A 84 -4.768 10.164 -7.834 1.00 61.13 C ATOM 1506 O LEU A 84 -5.306 11.219 -7.493 1.00 43.23 O ATOM 1507 CB LEU A 84 -6.108 8.268 -6.874 1.00 23.12 C ATOM 1508 CG LEU A 84 -6.893 8.282 -8.188 1.00 1.51 C ATOM 1509 CD1 LEU A 84 -6.359 7.232 -9.154 1.00 32.23 C ATOM 1510 CD2 LEU A 84 -8.366 8.055 -7.902 1.00 4.53 C ATOM 0 H LEU A 84 -5.139 9.392 -4.893 1.00 31.40 H new ATOM 0 HA LEU A 84 -4.006 8.252 -7.276 1.00 34.22 H new ATOM 0 HB2 LEU A 84 -5.961 7.231 -6.572 1.00 23.12 H new ATOM 0 HB3 LEU A 84 -6.718 8.740 -6.104 1.00 23.12 H new ATOM 0 HG LEU A 84 -6.770 9.256 -8.662 1.00 1.51 H new ATOM 0 HD11 LEU A 84 -6.934 7.263 -10.079 1.00 32.23 H new ATOM 0 HD12 LEU A 84 -5.311 7.437 -9.371 1.00 32.23 H new ATOM 0 HD13 LEU A 84 -6.450 6.244 -8.704 1.00 32.23 H new ATOM 0 HD21 LEU A 84 -8.924 8.065 -8.838 1.00 4.53 H new ATOM 0 HD22 LEU A 84 -8.497 7.090 -7.412 1.00 4.53 H new ATOM 0 HD23 LEU A 84 -8.736 8.846 -7.250 1.00 4.53 H new ATOM 1522 N GLU A 85 -4.175 9.997 -9.007 1.00 64.11 N ATOM 1523 CA GLU A 85 -4.119 11.064 -9.998 1.00 75.32 C ATOM 1524 C GLU A 85 -4.500 10.528 -11.367 1.00 62.42 C ATOM 1525 O GLU A 85 -3.970 9.508 -11.814 1.00 4.22 O ATOM 1526 CB GLU A 85 -2.726 11.689 -10.038 1.00 42.01 C ATOM 1527 CG GLU A 85 -2.274 12.227 -8.688 1.00 31.23 C ATOM 1528 CD GLU A 85 -0.894 12.861 -8.725 1.00 52.24 C ATOM 1529 OE1 GLU A 85 -0.047 12.410 -9.525 1.00 72.51 O ATOM 1530 OE2 GLU A 85 -0.658 13.807 -7.944 1.00 22.42 O ATOM 0 H GLU A 85 -3.724 9.130 -9.297 1.00 64.11 H new ATOM 0 HA GLU A 85 -4.832 11.838 -9.715 1.00 75.32 H new ATOM 0 HB2 GLU A 85 -2.010 10.944 -10.384 1.00 42.01 H new ATOM 0 HB3 GLU A 85 -2.719 12.500 -10.766 1.00 42.01 H new ATOM 0 HG2 GLU A 85 -2.996 12.965 -8.339 1.00 31.23 H new ATOM 0 HG3 GLU A 85 -2.273 11.414 -7.962 1.00 31.23 H new ATOM 1537 N GLY A 86 -5.437 11.210 -12.015 1.00 12.52 N ATOM 1538 CA GLY A 86 -5.899 10.781 -13.317 1.00 64.22 C ATOM 1539 C GLY A 86 -6.605 9.454 -13.244 1.00 60.35 C ATOM 1540 O GLY A 86 -7.758 9.368 -12.823 1.00 22.34 O ATOM 0 H GLY A 86 -5.885 12.054 -11.659 1.00 12.52 H new ATOM 0 HA2 GLY A 86 -6.574 11.531 -13.730 1.00 64.22 H new ATOM 0 HA3 GLY A 86 -5.051 10.706 -13.998 1.00 64.22 H new ATOM 1544 N ASN A 87 -5.894 8.425 -13.653 1.00 1.24 N ATOM 1545 CA ASN A 87 -6.414 7.061 -13.645 1.00 21.44 C ATOM 1546 C ASN A 87 -5.465 6.100 -12.917 1.00 4.41 C ATOM 1547 O ASN A 87 -5.541 4.885 -13.115 1.00 23.54 O ATOM 1548 CB ASN A 87 -6.630 6.587 -15.080 1.00 60.33 C ATOM 1549 CG ASN A 87 -8.094 6.564 -15.475 1.00 23.22 C ATOM 1550 OD1 ASN A 87 -8.668 5.500 -15.701 1.00 61.22 O ATOM 1551 ND2 ASN A 87 -8.707 7.740 -15.566 1.00 63.23 N ATOM 0 H ASN A 87 -4.939 8.503 -14.002 1.00 1.24 H new ATOM 0 HA ASN A 87 -7.363 7.064 -13.109 1.00 21.44 H new ATOM 0 HB2 ASN A 87 -6.085 7.241 -15.760 1.00 60.33 H new ATOM 0 HB3 ASN A 87 -6.211 5.587 -15.195 1.00 60.33 H new ATOM 0 HD21 ASN A 87 -9.691 7.783 -15.832 1.00 63.23 H new ATOM 0 HD22 ASN A 87 -8.194 8.599 -15.370 1.00 63.23 H new ATOM 1558 N LYS A 88 -4.563 6.636 -12.086 1.00 64.32 N ATOM 1559 CA LYS A 88 -3.606 5.790 -11.362 1.00 52.43 C ATOM 1560 C LYS A 88 -3.341 6.291 -9.941 1.00 52.45 C ATOM 1561 O LYS A 88 -3.428 7.489 -9.668 1.00 52.42 O ATOM 1562 CB LYS A 88 -2.289 5.703 -12.137 1.00 32.32 C ATOM 1563 CG LYS A 88 -1.621 4.340 -12.053 1.00 55.01 C ATOM 1564 CD LYS A 88 -2.340 3.311 -12.914 1.00 71.31 C ATOM 1565 CE LYS A 88 -3.344 2.498 -12.108 1.00 53.02 C ATOM 1566 NZ LYS A 88 -2.682 1.651 -11.076 1.00 72.34 N ATOM 0 H LYS A 88 -4.475 7.635 -11.900 1.00 64.32 H new ATOM 0 HA LYS A 88 -4.053 4.799 -11.279 1.00 52.43 H new ATOM 0 HB2 LYS A 88 -2.477 5.942 -13.184 1.00 32.32 H new ATOM 0 HB3 LYS A 88 -1.602 6.459 -11.756 1.00 32.32 H new ATOM 0 HG2 LYS A 88 -0.583 4.422 -12.374 1.00 55.01 H new ATOM 0 HG3 LYS A 88 -1.608 4.003 -11.016 1.00 55.01 H new ATOM 0 HD2 LYS A 88 -2.855 3.817 -13.731 1.00 71.31 H new ATOM 0 HD3 LYS A 88 -1.609 2.640 -13.365 1.00 71.31 H new ATOM 0 HE2 LYS A 88 -4.050 3.173 -11.624 1.00 53.02 H new ATOM 0 HE3 LYS A 88 -3.920 1.864 -12.782 1.00 53.02 H new ATOM 0 HZ1 LYS A 88 -3.332 0.895 -10.778 1.00 72.34 H new ATOM 0 HZ2 LYS A 88 -1.819 1.229 -11.475 1.00 72.34 H new ATOM 0 HZ3 LYS A 88 -2.432 2.237 -10.254 1.00 72.34 H new ATOM 1580 N LEU A 89 -3.008 5.358 -9.037 1.00 61.13 N ATOM 1581 CA LEU A 89 -2.727 5.703 -7.643 1.00 43.02 C ATOM 1582 C LEU A 89 -1.243 5.938 -7.407 1.00 44.33 C ATOM 1583 O LEU A 89 -0.408 5.071 -7.691 1.00 32.12 O ATOM 1584 CB LEU A 89 -3.242 4.627 -6.690 1.00 42.03 C ATOM 1585 CG LEU A 89 -4.298 5.138 -5.722 1.00 14.45 C ATOM 1586 CD1 LEU A 89 -5.379 4.104 -5.486 1.00 0.51 C ATOM 1587 CD2 LEU A 89 -3.671 5.572 -4.409 1.00 0.44 C ATOM 0 H LEU A 89 -2.928 4.363 -9.249 1.00 61.13 H new ATOM 0 HA LEU A 89 -3.256 6.634 -7.438 1.00 43.02 H new ATOM 0 HB2 LEU A 89 -3.659 3.805 -7.272 1.00 42.03 H new ATOM 0 HB3 LEU A 89 -2.404 4.222 -6.123 1.00 42.03 H new ATOM 0 HG LEU A 89 -4.766 6.010 -6.179 1.00 14.45 H new ATOM 0 HD11 LEU A 89 -6.117 4.502 -4.790 1.00 0.51 H new ATOM 0 HD12 LEU A 89 -5.865 3.863 -6.432 1.00 0.51 H new ATOM 0 HD13 LEU A 89 -4.934 3.202 -5.067 1.00 0.51 H new ATOM 0 HD21 LEU A 89 -4.449 5.933 -3.736 1.00 0.44 H new ATOM 0 HD22 LEU A 89 -3.160 4.724 -3.952 1.00 0.44 H new ATOM 0 HD23 LEU A 89 -2.953 6.371 -4.595 1.00 0.44 H new ATOM 1599 N ILE A 90 -0.937 7.128 -6.892 1.00 20.31 N ATOM 1600 CA ILE A 90 0.434 7.542 -6.615 1.00 1.33 C ATOM 1601 C ILE A 90 0.796 7.412 -5.136 1.00 73.44 C ATOM 1602 O ILE A 90 -0.009 7.720 -4.259 1.00 20.44 O ATOM 1603 CB ILE A 90 0.638 9.016 -7.035 1.00 4.10 C ATOM 1604 CG1 ILE A 90 0.216 9.227 -8.494 1.00 51.03 C ATOM 1605 CG2 ILE A 90 2.088 9.443 -6.834 1.00 1.00 C ATOM 1606 CD1 ILE A 90 0.782 8.196 -9.452 1.00 22.33 C ATOM 0 H ILE A 90 -1.636 7.832 -6.655 1.00 20.31 H new ATOM 0 HA ILE A 90 1.082 6.879 -7.189 1.00 1.33 H new ATOM 0 HB ILE A 90 0.007 9.637 -6.399 1.00 4.10 H new ATOM 0 HG12 ILE A 90 -0.872 9.206 -8.554 1.00 51.03 H new ATOM 0 HG13 ILE A 90 0.534 10.219 -8.814 1.00 51.03 H new ATOM 0 HG21 ILE A 90 2.206 10.483 -7.137 1.00 1.00 H new ATOM 0 HG22 ILE A 90 2.356 9.338 -5.783 1.00 1.00 H new ATOM 0 HG23 ILE A 90 2.740 8.813 -7.439 1.00 1.00 H new ATOM 0 HD11 ILE A 90 0.439 8.412 -10.464 1.00 22.33 H new ATOM 0 HD12 ILE A 90 1.871 8.231 -9.423 1.00 22.33 H new ATOM 0 HD13 ILE A 90 0.443 7.202 -9.159 1.00 22.33 H new ATOM 1618 N GLY A 91 2.033 6.984 -4.880 1.00 11.44 N ATOM 1619 CA GLY A 91 2.535 6.849 -3.524 1.00 34.30 C ATOM 1620 C GLY A 91 3.952 7.377 -3.434 1.00 1.33 C ATOM 1621 O GLY A 91 4.843 6.862 -4.110 1.00 53.25 O ATOM 0 H GLY A 91 2.704 6.725 -5.603 1.00 11.44 H new ATOM 0 HA2 GLY A 91 1.891 7.395 -2.834 1.00 34.30 H new ATOM 0 HA3 GLY A 91 2.510 5.802 -3.222 1.00 34.30 H new ATOM 1625 N LYS A 92 4.166 8.431 -2.646 1.00 23.42 N ATOM 1626 CA LYS A 92 5.492 9.028 -2.544 1.00 62.21 C ATOM 1627 C LYS A 92 5.909 9.338 -1.110 1.00 60.24 C ATOM 1628 O LYS A 92 5.131 9.875 -0.320 1.00 45.22 O ATOM 1629 CB LYS A 92 5.534 10.313 -3.367 1.00 51.24 C ATOM 1630 CG LYS A 92 6.261 10.161 -4.688 1.00 23.40 C ATOM 1631 CD LYS A 92 5.467 10.770 -5.836 1.00 20.43 C ATOM 1632 CE LYS A 92 6.310 11.735 -6.657 1.00 73.31 C ATOM 1633 NZ LYS A 92 7.422 11.044 -7.372 1.00 21.42 N ATOM 0 H LYS A 92 3.448 8.881 -2.078 1.00 23.42 H new ATOM 0 HA LYS A 92 6.198 8.291 -2.928 1.00 62.21 H new ATOM 0 HB2 LYS A 92 4.514 10.646 -3.559 1.00 51.24 H new ATOM 0 HB3 LYS A 92 6.019 11.094 -2.782 1.00 51.24 H new ATOM 0 HG2 LYS A 92 7.237 10.642 -4.624 1.00 23.40 H new ATOM 0 HG3 LYS A 92 6.438 9.104 -4.887 1.00 23.40 H new ATOM 0 HD2 LYS A 92 5.093 9.975 -6.481 1.00 20.43 H new ATOM 0 HD3 LYS A 92 4.598 11.294 -5.439 1.00 20.43 H new ATOM 0 HE2 LYS A 92 5.675 12.243 -7.382 1.00 73.31 H new ATOM 0 HE3 LYS A 92 6.723 12.502 -6.002 1.00 73.31 H new ATOM 0 HZ1 LYS A 92 8.334 11.401 -7.023 1.00 21.42 H new ATOM 0 HZ2 LYS A 92 7.362 10.020 -7.200 1.00 21.42 H new ATOM 0 HZ3 LYS A 92 7.346 11.229 -8.393 1.00 21.42 H new ATOM 1647 N PHE A 93 7.172 9.029 -0.814 1.00 55.42 N ATOM 1648 CA PHE A 93 7.767 9.299 0.494 1.00 52.52 C ATOM 1649 C PHE A 93 9.212 9.747 0.298 1.00 0.02 C ATOM 1650 O PHE A 93 9.895 9.256 -0.606 1.00 21.33 O ATOM 1651 CB PHE A 93 7.715 8.068 1.411 1.00 22.45 C ATOM 1652 CG PHE A 93 6.322 7.589 1.707 1.00 11.02 C ATOM 1653 CD1 PHE A 93 5.650 6.771 0.812 1.00 61.11 C ATOM 1654 CD2 PHE A 93 5.687 7.957 2.881 1.00 4.00 C ATOM 1655 CE1 PHE A 93 4.369 6.331 1.084 1.00 3.31 C ATOM 1656 CE2 PHE A 93 4.405 7.519 3.158 1.00 14.40 C ATOM 1657 CZ PHE A 93 3.746 6.705 2.259 1.00 43.22 C ATOM 0 H PHE A 93 7.810 8.585 -1.474 1.00 55.42 H new ATOM 0 HA PHE A 93 7.191 10.087 0.979 1.00 52.52 H new ATOM 0 HB2 PHE A 93 8.277 7.257 0.947 1.00 22.45 H new ATOM 0 HB3 PHE A 93 8.215 8.305 2.350 1.00 22.45 H new ATOM 0 HD1 PHE A 93 6.133 6.475 -0.107 1.00 61.11 H new ATOM 0 HD2 PHE A 93 6.199 8.593 3.588 1.00 4.00 H new ATOM 0 HE1 PHE A 93 3.855 5.695 0.379 1.00 3.31 H new ATOM 0 HE2 PHE A 93 3.920 7.814 4.077 1.00 14.40 H new ATOM 0 HZ PHE A 93 2.745 6.361 2.474 1.00 43.22 H new ATOM 1667 N LYS A 94 9.674 10.695 1.114 1.00 20.41 N ATOM 1668 CA LYS A 94 11.040 11.207 0.968 1.00 73.43 C ATOM 1669 C LYS A 94 11.843 11.155 2.266 1.00 0.35 C ATOM 1670 O LYS A 94 11.354 11.547 3.329 1.00 11.12 O ATOM 1671 CB LYS A 94 11.007 12.654 0.473 1.00 3.53 C ATOM 1672 CG LYS A 94 10.497 12.809 -0.949 1.00 3.51 C ATOM 1673 CD LYS A 94 10.522 14.264 -1.390 1.00 21.40 C ATOM 1674 CE LYS A 94 11.945 14.797 -1.477 1.00 74.22 C ATOM 1675 NZ LYS A 94 12.030 16.029 -2.308 1.00 44.32 N ATOM 0 H LYS A 94 9.136 11.118 1.870 1.00 20.41 H new ATOM 0 HA LYS A 94 11.534 10.557 0.245 1.00 73.43 H new ATOM 0 HB2 LYS A 94 10.376 13.241 1.140 1.00 3.53 H new ATOM 0 HB3 LYS A 94 12.012 13.071 0.535 1.00 3.53 H new ATOM 0 HG2 LYS A 94 11.110 12.212 -1.624 1.00 3.51 H new ATOM 0 HG3 LYS A 94 9.480 12.424 -1.017 1.00 3.51 H new ATOM 0 HD2 LYS A 94 10.037 14.359 -2.361 1.00 21.40 H new ATOM 0 HD3 LYS A 94 9.949 14.868 -0.687 1.00 21.40 H new ATOM 0 HE2 LYS A 94 12.314 15.010 -0.474 1.00 74.22 H new ATOM 0 HE3 LYS A 94 12.594 14.030 -1.899 1.00 74.22 H new ATOM 0 HZ1 LYS A 94 13.016 16.358 -2.341 1.00 44.32 H new ATOM 0 HZ2 LYS A 94 11.702 15.820 -3.273 1.00 44.32 H new ATOM 0 HZ3 LYS A 94 11.431 16.770 -1.892 1.00 44.32 H new ATOM 1689 N ARG A 95 13.102 10.710 2.156 1.00 20.31 N ATOM 1690 CA ARG A 95 14.002 10.658 3.310 1.00 34.34 C ATOM 1691 C ARG A 95 14.295 12.077 3.797 1.00 4.43 C ATOM 1692 O ARG A 95 14.424 12.997 2.988 1.00 43.14 O ATOM 1693 CB ARG A 95 15.319 9.979 2.931 1.00 61.13 C ATOM 1694 CG ARG A 95 15.188 8.493 2.656 1.00 63.13 C ATOM 1695 CD ARG A 95 16.180 8.030 1.603 1.00 21.50 C ATOM 1696 NE ARG A 95 17.021 6.935 2.081 1.00 13.12 N ATOM 1697 CZ ARG A 95 18.274 7.088 2.520 1.00 2.33 C ATOM 1698 NH1 ARG A 95 18.832 8.296 2.574 1.00 45.44 N ATOM 1699 NH2 ARG A 95 18.970 6.027 2.914 1.00 1.10 N ATOM 0 H ARG A 95 13.516 10.383 1.283 1.00 20.31 H new ATOM 0 HA ARG A 95 13.519 10.085 4.101 1.00 34.34 H new ATOM 0 HB2 ARG A 95 15.727 10.468 2.046 1.00 61.13 H new ATOM 0 HB3 ARG A 95 16.038 10.127 3.737 1.00 61.13 H new ATOM 0 HG2 ARG A 95 15.350 7.936 3.579 1.00 63.13 H new ATOM 0 HG3 ARG A 95 14.174 8.272 2.324 1.00 63.13 H new ATOM 0 HD2 ARG A 95 15.639 7.709 0.713 1.00 21.50 H new ATOM 0 HD3 ARG A 95 16.811 8.868 1.307 1.00 21.50 H new ATOM 0 HE ARG A 95 16.627 5.994 2.080 1.00 13.12 H new ATOM 0 HH11 ARG A 95 18.302 9.116 2.279 1.00 45.44 H new ATOM 0 HH12 ARG A 95 19.789 8.401 2.911 1.00 45.44 H new ATOM 0 HH21 ARG A 95 18.548 5.099 2.881 1.00 1.10 H new ATOM 0 HH22 ARG A 95 19.927 6.140 3.250 1.00 1.10 H new ATOM 1713 N THR A 96 14.412 12.254 5.112 1.00 12.42 N ATOM 1714 CA THR A 96 14.702 13.573 5.674 1.00 71.44 C ATOM 1715 C THR A 96 16.213 13.858 5.705 1.00 43.04 C ATOM 1716 O THR A 96 16.632 14.937 6.126 1.00 55.51 O ATOM 1717 CB THR A 96 14.100 13.701 7.082 1.00 14.53 C ATOM 1718 OG1 THR A 96 13.836 15.059 7.394 1.00 23.42 O ATOM 1719 CG2 THR A 96 14.983 13.139 8.178 1.00 13.31 C ATOM 0 H THR A 96 14.312 11.510 5.802 1.00 12.42 H new ATOM 0 HA THR A 96 14.241 14.317 5.025 1.00 71.44 H new ATOM 0 HB THR A 96 13.182 13.115 7.051 1.00 14.53 H new ATOM 0 HG1 THR A 96 14.596 15.612 7.117 1.00 23.42 H new ATOM 0 HG21 THR A 96 14.491 13.266 9.142 1.00 13.31 H new ATOM 0 HG22 THR A 96 15.158 12.079 7.996 1.00 13.31 H new ATOM 0 HG23 THR A 96 15.936 13.668 8.185 1.00 13.31 H new ATOM 1727 N ASP A 97 17.025 12.892 5.258 1.00 52.55 N ATOM 1728 CA ASP A 97 18.480 13.052 5.240 1.00 20.54 C ATOM 1729 C ASP A 97 18.915 13.930 4.070 1.00 75.24 C ATOM 1730 O ASP A 97 19.460 15.018 4.270 1.00 61.44 O ATOM 1731 CB ASP A 97 19.178 11.688 5.146 1.00 0.20 C ATOM 1732 CG ASP A 97 18.616 10.664 6.115 1.00 24.51 C ATOM 1733 OD1 ASP A 97 17.494 10.167 5.872 1.00 60.22 O ATOM 1734 OD2 ASP A 97 19.304 10.346 7.107 1.00 61.23 O ATOM 0 H ASP A 97 16.697 11.993 4.905 1.00 52.55 H new ATOM 0 HA ASP A 97 18.771 13.535 6.173 1.00 20.54 H new ATOM 0 HB2 ASP A 97 19.083 11.307 4.129 1.00 0.20 H new ATOM 0 HB3 ASP A 97 20.243 11.817 5.340 1.00 0.20 H new ATOM 1739 N ASN A 98 18.676 13.445 2.849 1.00 54.01 N ATOM 1740 CA ASN A 98 19.045 14.182 1.637 1.00 64.15 C ATOM 1741 C ASN A 98 17.829 14.452 0.743 1.00 33.43 C ATOM 1742 O ASN A 98 17.936 15.191 -0.236 1.00 60.31 O ATOM 1743 CB ASN A 98 20.114 13.427 0.830 1.00 55.15 C ATOM 1744 CG ASN A 98 20.673 12.219 1.560 1.00 41.12 C ATOM 1745 OD1 ASN A 98 21.633 12.331 2.321 1.00 42.33 O ATOM 1746 ND2 ASN A 98 20.071 11.057 1.332 1.00 12.13 N ATOM 0 H ASN A 98 18.229 12.545 2.673 1.00 54.01 H new ATOM 0 HA ASN A 98 19.454 15.138 1.965 1.00 64.15 H new ATOM 0 HB2 ASN A 98 19.683 13.103 -0.118 1.00 55.15 H new ATOM 0 HB3 ASN A 98 20.930 14.110 0.593 1.00 55.15 H new ATOM 0 HD21 ASN A 98 20.402 10.211 1.796 1.00 12.13 H new ATOM 0 HD22 ASN A 98 19.278 11.010 0.693 1.00 12.13 H new ATOM 1753 N GLY A 99 16.674 13.862 1.078 1.00 14.42 N ATOM 1754 CA GLY A 99 15.479 14.078 0.283 1.00 60.44 C ATOM 1755 C GLY A 99 15.320 13.080 -0.852 1.00 33.13 C ATOM 1756 O GLY A 99 14.846 13.448 -1.929 1.00 20.23 O ATOM 0 H GLY A 99 16.551 13.244 1.880 1.00 14.42 H new ATOM 0 HA2 GLY A 99 14.605 14.021 0.932 1.00 60.44 H new ATOM 0 HA3 GLY A 99 15.504 15.086 -0.131 1.00 60.44 H new ATOM 1760 N ASN A 100 15.706 11.818 -0.629 1.00 74.43 N ATOM 1761 CA ASN A 100 15.578 10.800 -1.674 1.00 44.31 C ATOM 1762 C ASN A 100 14.109 10.569 -1.999 1.00 43.34 C ATOM 1763 O ASN A 100 13.340 10.104 -1.154 1.00 1.23 O ATOM 1764 CB ASN A 100 16.228 9.483 -1.257 1.00 32.25 C ATOM 1765 CG ASN A 100 17.664 9.660 -0.808 1.00 2.45 C ATOM 1766 OD1 ASN A 100 17.924 10.288 0.216 1.00 53.33 O ATOM 1767 ND2 ASN A 100 18.605 9.112 -1.569 1.00 24.11 N ATOM 0 H ASN A 100 16.102 11.483 0.249 1.00 74.43 H new ATOM 0 HA ASN A 100 16.096 11.166 -2.560 1.00 44.31 H new ATOM 0 HB2 ASN A 100 15.650 9.037 -0.447 1.00 32.25 H new ATOM 0 HB3 ASN A 100 16.196 8.785 -2.094 1.00 32.25 H new ATOM 0 HD21 ASN A 100 19.587 9.204 -1.311 1.00 24.11 H new ATOM 0 HD22 ASN A 100 18.345 8.599 -2.411 1.00 24.11 H new ATOM 1774 N GLU A 101 13.724 10.922 -3.218 1.00 22.52 N ATOM 1775 CA GLU A 101 12.348 10.782 -3.663 1.00 32.12 C ATOM 1776 C GLU A 101 12.044 9.371 -4.147 1.00 22.24 C ATOM 1777 O GLU A 101 12.549 8.941 -5.186 1.00 42.32 O ATOM 1778 CB GLU A 101 12.058 11.779 -4.785 1.00 2.45 C ATOM 1779 CG GLU A 101 11.072 12.856 -4.389 1.00 1.02 C ATOM 1780 CD GLU A 101 9.635 12.462 -4.670 1.00 13.44 C ATOM 1781 OE1 GLU A 101 9.253 12.428 -5.858 1.00 74.23 O ATOM 1782 OE2 GLU A 101 8.894 12.184 -3.704 1.00 64.13 O ATOM 0 H GLU A 101 14.353 11.311 -3.920 1.00 22.52 H new ATOM 0 HA GLU A 101 11.707 10.987 -2.806 1.00 32.12 H new ATOM 0 HB2 GLU A 101 12.992 12.248 -5.096 1.00 2.45 H new ATOM 0 HB3 GLU A 101 11.669 11.240 -5.649 1.00 2.45 H new ATOM 0 HG2 GLU A 101 11.184 13.074 -3.327 1.00 1.02 H new ATOM 0 HG3 GLU A 101 11.306 13.774 -4.929 1.00 1.02 H new ATOM 1789 N LEU A 102 11.182 8.669 -3.412 1.00 41.21 N ATOM 1790 CA LEU A 102 10.778 7.322 -3.799 1.00 2.00 C ATOM 1791 C LEU A 102 9.387 7.372 -4.389 1.00 35.24 C ATOM 1792 O LEU A 102 8.545 8.158 -3.945 1.00 65.52 O ATOM 1793 CB LEU A 102 10.789 6.357 -2.621 1.00 20.22 C ATOM 1794 CG LEU A 102 10.588 4.885 -3.001 1.00 63.55 C ATOM 1795 CD1 LEU A 102 11.916 4.232 -3.353 1.00 24.43 C ATOM 1796 CD2 LEU A 102 9.896 4.130 -1.879 1.00 61.14 C ATOM 0 H LEU A 102 10.754 9.010 -2.551 1.00 41.21 H new ATOM 0 HA LEU A 102 11.497 6.957 -4.532 1.00 2.00 H new ATOM 0 HB2 LEU A 102 11.739 6.457 -2.095 1.00 20.22 H new ATOM 0 HB3 LEU A 102 10.005 6.649 -1.922 1.00 20.22 H new ATOM 0 HG LEU A 102 9.948 4.846 -3.882 1.00 63.55 H new ATOM 0 HD11 LEU A 102 11.749 3.188 -3.619 1.00 24.43 H new ATOM 0 HD12 LEU A 102 12.366 4.754 -4.197 1.00 24.43 H new ATOM 0 HD13 LEU A 102 12.586 4.285 -2.495 1.00 24.43 H new ATOM 0 HD21 LEU A 102 9.763 3.088 -2.170 1.00 61.14 H new ATOM 0 HD22 LEU A 102 10.505 4.180 -0.977 1.00 61.14 H new ATOM 0 HD23 LEU A 102 8.922 4.579 -1.685 1.00 61.14 H new ATOM 1808 N ASN A 103 9.149 6.553 -5.400 1.00 22.34 N ATOM 1809 CA ASN A 103 7.854 6.543 -6.051 1.00 0.05 C ATOM 1810 C ASN A 103 7.267 5.139 -6.100 1.00 32.40 C ATOM 1811 O ASN A 103 7.928 4.197 -6.529 1.00 33.12 O ATOM 1812 CB ASN A 103 7.952 7.137 -7.469 1.00 52.15 C ATOM 1813 CG ASN A 103 9.328 7.718 -7.780 1.00 74.21 C ATOM 1814 OD1 ASN A 103 10.014 7.260 -8.694 1.00 52.44 O ATOM 1815 ND2 ASN A 103 9.736 8.733 -7.019 1.00 22.52 N ATOM 0 H ASN A 103 9.828 5.895 -5.783 1.00 22.34 H new ATOM 0 HA ASN A 103 7.183 7.165 -5.459 1.00 0.05 H new ATOM 0 HB2 ASN A 103 7.718 6.361 -8.198 1.00 52.15 H new ATOM 0 HB3 ASN A 103 7.200 7.918 -7.582 1.00 52.15 H new ATOM 0 HD21 ASN A 103 10.647 9.160 -7.184 1.00 22.52 H new ATOM 0 HD22 ASN A 103 9.137 9.083 -6.271 1.00 22.52 H new ATOM 1822 N THR A 104 6.022 5.008 -5.649 1.00 21.42 N ATOM 1823 CA THR A 104 5.344 3.715 -5.637 1.00 25.23 C ATOM 1824 C THR A 104 3.930 3.819 -6.207 1.00 51.23 C ATOM 1825 O THR A 104 3.254 4.834 -6.040 1.00 61.42 O ATOM 1826 CB THR A 104 5.305 3.149 -4.213 1.00 42.52 C ATOM 1827 OG1 THR A 104 4.555 1.947 -4.163 1.00 23.22 O ATOM 1828 CG2 THR A 104 4.715 4.099 -3.194 1.00 24.22 C ATOM 0 H THR A 104 5.463 5.781 -5.287 1.00 21.42 H new ATOM 0 HA THR A 104 5.910 3.035 -6.274 1.00 25.23 H new ATOM 0 HB THR A 104 6.350 2.974 -3.956 1.00 42.52 H new ATOM 0 HG1 THR A 104 4.954 1.339 -3.506 1.00 23.22 H new ATOM 0 HG21 THR A 104 4.721 3.628 -2.211 1.00 24.22 H new ATOM 0 HG22 THR A 104 5.308 5.013 -3.162 1.00 24.22 H new ATOM 0 HG23 THR A 104 3.690 4.341 -3.473 1.00 24.22 H new ATOM 1836 N VAL A 105 3.500 2.759 -6.890 1.00 20.15 N ATOM 1837 CA VAL A 105 2.164 2.716 -7.503 1.00 20.20 C ATOM 1838 C VAL A 105 1.400 1.448 -7.098 1.00 42.35 C ATOM 1839 O VAL A 105 2.003 0.386 -6.925 1.00 42.25 O ATOM 1840 CB VAL A 105 2.252 2.776 -9.047 1.00 0.21 C ATOM 1841 CG1 VAL A 105 0.931 3.230 -9.649 1.00 73.52 C ATOM 1842 CG2 VAL A 105 3.385 3.693 -9.492 1.00 34.11 C ATOM 0 H VAL A 105 4.055 1.915 -7.035 1.00 20.15 H new ATOM 0 HA VAL A 105 1.625 3.590 -7.138 1.00 20.20 H new ATOM 0 HB VAL A 105 2.464 1.770 -9.409 1.00 0.21 H new ATOM 0 HG11 VAL A 105 1.019 3.264 -10.735 1.00 73.52 H new ATOM 0 HG12 VAL A 105 0.144 2.529 -9.370 1.00 73.52 H new ATOM 0 HG13 VAL A 105 0.682 4.223 -9.274 1.00 73.52 H new ATOM 0 HG21 VAL A 105 3.426 3.718 -10.581 1.00 34.11 H new ATOM 0 HG22 VAL A 105 3.209 4.699 -9.112 1.00 34.11 H new ATOM 0 HG23 VAL A 105 4.331 3.318 -9.102 1.00 34.11 H new ATOM 1852 N ARG A 106 0.069 1.557 -6.953 1.00 13.20 N ATOM 1853 CA ARG A 106 -0.756 0.398 -6.575 1.00 34.51 C ATOM 1854 C ARG A 106 -1.638 -0.056 -7.740 1.00 60.22 C ATOM 1855 O ARG A 106 -2.405 0.742 -8.284 1.00 12.12 O ATOM 1856 CB ARG A 106 -1.652 0.738 -5.381 1.00 32.31 C ATOM 1857 CG ARG A 106 -1.074 0.328 -4.039 1.00 51.51 C ATOM 1858 CD ARG A 106 -2.147 0.288 -2.961 1.00 54.04 C ATOM 1859 NE ARG A 106 -2.276 1.570 -2.268 1.00 40.21 N ATOM 1860 CZ ARG A 106 -1.461 1.980 -1.291 1.00 73.12 C ATOM 1861 NH1 ARG A 106 -0.447 1.218 -0.886 1.00 4.01 N ATOM 1862 NH2 ARG A 106 -1.661 3.159 -0.718 1.00 12.20 N ATOM 0 H ARG A 106 -0.453 2.423 -7.090 1.00 13.20 H new ATOM 0 HA ARG A 106 -0.075 -0.409 -6.305 1.00 34.51 H new ATOM 0 HB2 ARG A 106 -1.837 1.812 -5.373 1.00 32.31 H new ATOM 0 HB3 ARG A 106 -2.617 0.250 -5.514 1.00 32.31 H new ATOM 0 HG2 ARG A 106 -0.607 -0.653 -4.127 1.00 51.51 H new ATOM 0 HG3 ARG A 106 -0.291 1.029 -3.749 1.00 51.51 H new ATOM 0 HD2 ARG A 106 -3.103 0.021 -3.411 1.00 54.04 H new ATOM 0 HD3 ARG A 106 -1.906 -0.492 -2.239 1.00 54.04 H new ATOM 0 HE ARG A 106 -3.036 2.190 -2.548 1.00 40.21 H new ATOM 0 HH11 ARG A 106 -0.285 0.310 -1.322 1.00 4.01 H new ATOM 0 HH12 ARG A 106 0.168 1.542 -0.140 1.00 4.01 H new ATOM 0 HH21 ARG A 106 -2.435 3.750 -1.023 1.00 12.20 H new ATOM 0 HH22 ARG A 106 -1.041 3.475 0.028 1.00 12.20 H new ATOM 1876 N GLU A 107 -1.539 -1.338 -8.117 1.00 44.54 N ATOM 1877 CA GLU A 107 -2.352 -1.871 -9.214 1.00 24.13 C ATOM 1878 C GLU A 107 -2.591 -3.370 -9.042 1.00 22.43 C ATOM 1879 O GLU A 107 -1.827 -4.049 -8.359 1.00 22.14 O ATOM 1880 CB GLU A 107 -1.665 -1.605 -10.559 1.00 31.42 C ATOM 1881 CG GLU A 107 -2.505 -1.991 -11.772 1.00 32.33 C ATOM 1882 CD GLU A 107 -2.713 -0.846 -12.746 1.00 55.31 C ATOM 1883 OE1 GLU A 107 -1.726 -0.164 -13.090 1.00 4.10 O ATOM 1884 OE2 GLU A 107 -3.871 -0.626 -13.159 1.00 42.53 O ATOM 0 H GLU A 107 -0.912 -2.016 -7.684 1.00 44.54 H new ATOM 0 HA GLU A 107 -3.317 -1.364 -9.196 1.00 24.13 H new ATOM 0 HB2 GLU A 107 -1.416 -0.546 -10.625 1.00 31.42 H new ATOM 0 HB3 GLU A 107 -0.725 -2.156 -10.591 1.00 31.42 H new ATOM 0 HG2 GLU A 107 -2.022 -2.818 -12.292 1.00 32.33 H new ATOM 0 HG3 GLU A 107 -3.476 -2.352 -11.433 1.00 32.33 H new ATOM 1891 N ILE A 108 -3.642 -3.885 -9.681 1.00 13.10 N ATOM 1892 CA ILE A 108 -3.945 -5.307 -9.619 1.00 44.22 C ATOM 1893 C ILE A 108 -3.827 -5.928 -11.010 1.00 5.23 C ATOM 1894 O ILE A 108 -4.350 -5.390 -11.988 1.00 41.25 O ATOM 1895 CB ILE A 108 -5.348 -5.605 -9.034 1.00 35.41 C ATOM 1896 CG1 ILE A 108 -5.427 -7.087 -8.670 1.00 34.13 C ATOM 1897 CG2 ILE A 108 -6.448 -5.228 -10.020 1.00 11.13 C ATOM 1898 CD1 ILE A 108 -6.300 -7.385 -7.479 1.00 52.04 C ATOM 0 H ILE A 108 -4.293 -3.338 -10.244 1.00 13.10 H new ATOM 0 HA ILE A 108 -3.215 -5.752 -8.942 1.00 44.22 H new ATOM 0 HB ILE A 108 -5.499 -5.001 -8.139 1.00 35.41 H new ATOM 0 HG12 ILE A 108 -5.803 -7.641 -9.530 1.00 34.13 H new ATOM 0 HG13 ILE A 108 -4.421 -7.454 -8.470 1.00 34.13 H new ATOM 0 HG21 ILE A 108 -7.421 -5.449 -9.581 1.00 11.13 H new ATOM 0 HG22 ILE A 108 -6.385 -4.164 -10.246 1.00 11.13 H new ATOM 0 HG23 ILE A 108 -6.326 -5.802 -10.939 1.00 11.13 H new ATOM 0 HD11 ILE A 108 -6.301 -8.458 -7.288 1.00 52.04 H new ATOM 0 HD12 ILE A 108 -5.914 -6.862 -6.605 1.00 52.04 H new ATOM 0 HD13 ILE A 108 -7.318 -7.051 -7.681 1.00 52.04 H new ATOM 1910 N ILE A 109 -3.130 -7.056 -11.094 1.00 5.03 N ATOM 1911 CA ILE A 109 -2.937 -7.745 -12.370 1.00 60.42 C ATOM 1912 C ILE A 109 -3.574 -9.126 -12.345 1.00 52.15 C ATOM 1913 O ILE A 109 -3.274 -9.933 -11.466 1.00 62.33 O ATOM 1914 CB ILE A 109 -1.439 -7.877 -12.726 1.00 4.41 C ATOM 1915 CG1 ILE A 109 -0.765 -6.503 -12.728 1.00 44.01 C ATOM 1916 CG2 ILE A 109 -1.267 -8.547 -14.083 1.00 51.21 C ATOM 1917 CD1 ILE A 109 0.737 -6.566 -12.556 1.00 20.33 C ATOM 0 H ILE A 109 -2.689 -7.514 -10.296 1.00 5.03 H new ATOM 0 HA ILE A 109 -3.423 -7.139 -13.134 1.00 60.42 H new ATOM 0 HB ILE A 109 -0.963 -8.499 -11.968 1.00 4.41 H new ATOM 0 HG12 ILE A 109 -0.994 -5.996 -13.665 1.00 44.01 H new ATOM 0 HG13 ILE A 109 -1.189 -5.898 -11.927 1.00 44.01 H new ATOM 0 HG21 ILE A 109 -0.205 -8.631 -14.316 1.00 51.21 H new ATOM 0 HG22 ILE A 109 -1.712 -9.542 -14.057 1.00 51.21 H new ATOM 0 HG23 ILE A 109 -1.760 -7.949 -14.849 1.00 51.21 H new ATOM 0 HD11 ILE A 109 1.147 -5.556 -12.567 1.00 20.33 H new ATOM 0 HD12 ILE A 109 0.975 -7.044 -11.606 1.00 20.33 H new ATOM 0 HD13 ILE A 109 1.173 -7.143 -13.371 1.00 20.33 H new ATOM 1929 N GLY A 110 -4.452 -9.393 -13.315 1.00 40.35 N ATOM 1930 CA GLY A 110 -5.114 -10.684 -13.381 1.00 2.25 C ATOM 1931 C GLY A 110 -5.901 -10.994 -12.131 1.00 53.53 C ATOM 1932 O GLY A 110 -6.960 -10.415 -11.889 1.00 42.33 O ATOM 0 H GLY A 110 -4.714 -8.739 -14.052 1.00 40.35 H new ATOM 0 HA2 GLY A 110 -5.783 -10.702 -14.242 1.00 2.25 H new ATOM 0 HA3 GLY A 110 -4.369 -11.463 -13.540 1.00 2.25 H new ATOM 1936 N ASP A 111 -5.373 -11.910 -11.341 1.00 13.12 N ATOM 1937 CA ASP A 111 -6.011 -12.325 -10.098 1.00 4.21 C ATOM 1938 C ASP A 111 -5.039 -12.233 -8.912 1.00 14.11 C ATOM 1939 O ASP A 111 -5.169 -12.974 -7.937 1.00 4.43 O ATOM 1940 CB ASP A 111 -6.552 -13.749 -10.256 1.00 3.13 C ATOM 1941 CG ASP A 111 -7.981 -13.888 -9.761 1.00 20.42 C ATOM 1942 OD1 ASP A 111 -8.194 -13.821 -8.532 1.00 22.43 O ATOM 1943 OD2 ASP A 111 -8.889 -14.063 -10.601 1.00 54.32 O ATOM 0 H ASP A 111 -4.494 -12.388 -11.538 1.00 13.12 H new ATOM 0 HA ASP A 111 -6.839 -11.649 -9.886 1.00 4.21 H new ATOM 0 HB2 ASP A 111 -6.505 -14.037 -11.306 1.00 3.13 H new ATOM 0 HB3 ASP A 111 -5.912 -14.440 -9.707 1.00 3.13 H new ATOM 1948 N GLU A 112 -4.067 -11.315 -9.005 1.00 11.22 N ATOM 1949 CA GLU A 112 -3.071 -11.113 -7.947 1.00 2.02 C ATOM 1950 C GLU A 112 -2.808 -9.619 -7.734 1.00 34.30 C ATOM 1951 O GLU A 112 -2.901 -8.829 -8.677 1.00 53.14 O ATOM 1952 CB GLU A 112 -1.763 -11.828 -8.306 1.00 62.51 C ATOM 1953 CG GLU A 112 -1.897 -13.342 -8.405 1.00 21.30 C ATOM 1954 CD GLU A 112 -0.583 -14.072 -8.170 1.00 44.23 C ATOM 1955 OE1 GLU A 112 0.111 -13.752 -7.180 1.00 53.22 O ATOM 1956 OE2 GLU A 112 -0.248 -14.966 -8.976 1.00 34.22 O ATOM 0 H GLU A 112 -3.950 -10.697 -9.808 1.00 11.22 H new ATOM 0 HA GLU A 112 -3.463 -11.534 -7.021 1.00 2.02 H new ATOM 0 HB2 GLU A 112 -1.398 -11.442 -9.258 1.00 62.51 H new ATOM 0 HB3 GLU A 112 -1.010 -11.588 -7.555 1.00 62.51 H new ATOM 0 HG2 GLU A 112 -2.632 -13.685 -7.676 1.00 21.30 H new ATOM 0 HG3 GLU A 112 -2.280 -13.604 -9.391 1.00 21.30 H new ATOM 1963 N LEU A 113 -2.482 -9.231 -6.496 1.00 43.42 N ATOM 1964 CA LEU A 113 -2.216 -7.823 -6.179 1.00 5.40 C ATOM 1965 C LEU A 113 -0.751 -7.473 -6.347 1.00 43.01 C ATOM 1966 O LEU A 113 0.131 -8.289 -6.068 1.00 2.14 O ATOM 1967 CB LEU A 113 -2.635 -7.507 -4.745 1.00 4.00 C ATOM 1968 CG LEU A 113 -2.463 -6.042 -4.324 1.00 4.02 C ATOM 1969 CD1 LEU A 113 -3.473 -5.152 -5.032 1.00 0.24 C ATOM 1970 CD2 LEU A 113 -2.591 -5.902 -2.815 1.00 24.50 C ATOM 0 H LEU A 113 -2.396 -9.866 -5.703 1.00 43.42 H new ATOM 0 HA LEU A 113 -2.801 -7.226 -6.879 1.00 5.40 H new ATOM 0 HB2 LEU A 113 -3.682 -7.784 -4.619 1.00 4.00 H new ATOM 0 HB3 LEU A 113 -2.056 -8.134 -4.067 1.00 4.00 H new ATOM 0 HG LEU A 113 -1.464 -5.719 -4.617 1.00 4.02 H new ATOM 0 HD11 LEU A 113 -3.331 -4.118 -4.717 1.00 0.24 H new ATOM 0 HD12 LEU A 113 -3.330 -5.226 -6.110 1.00 0.24 H new ATOM 0 HD13 LEU A 113 -4.483 -5.473 -4.777 1.00 0.24 H new ATOM 0 HD21 LEU A 113 -2.466 -4.856 -2.535 1.00 24.50 H new ATOM 0 HD22 LEU A 113 -3.576 -6.247 -2.500 1.00 24.50 H new ATOM 0 HD23 LEU A 113 -1.823 -6.502 -2.327 1.00 24.50 H new ATOM 1982 N VAL A 114 -0.501 -6.247 -6.800 1.00 1.13 N ATOM 1983 CA VAL A 114 0.851 -5.780 -7.000 1.00 14.23 C ATOM 1984 C VAL A 114 1.058 -4.346 -6.530 1.00 13.24 C ATOM 1985 O VAL A 114 0.161 -3.503 -6.598 1.00 62.34 O ATOM 1986 CB VAL A 114 1.271 -5.872 -8.461 1.00 53.42 C ATOM 1987 CG1 VAL A 114 1.878 -7.232 -8.748 1.00 5.02 C ATOM 1988 CG2 VAL A 114 0.115 -5.587 -9.389 1.00 54.41 C ATOM 0 H VAL A 114 -1.223 -5.565 -7.033 1.00 1.13 H new ATOM 0 HA VAL A 114 1.472 -6.440 -6.394 1.00 14.23 H new ATOM 0 HB VAL A 114 2.027 -5.109 -8.644 1.00 53.42 H new ATOM 0 HG11 VAL A 114 2.174 -7.285 -9.796 1.00 5.02 H new ATOM 0 HG12 VAL A 114 2.753 -7.380 -8.116 1.00 5.02 H new ATOM 0 HG13 VAL A 114 1.143 -8.010 -8.539 1.00 5.02 H new ATOM 0 HG21 VAL A 114 0.452 -5.662 -10.423 1.00 54.41 H new ATOM 0 HG22 VAL A 114 -0.680 -6.312 -9.213 1.00 54.41 H new ATOM 0 HG23 VAL A 114 -0.262 -4.582 -9.202 1.00 54.41 H new ATOM 1998 N GLN A 115 2.274 -4.095 -6.077 1.00 11.00 N ATOM 1999 CA GLN A 115 2.696 -2.781 -5.600 1.00 51.34 C ATOM 2000 C GLN A 115 4.129 -2.501 -6.064 1.00 4.24 C ATOM 2001 O GLN A 115 5.086 -3.035 -5.495 1.00 1.45 O ATOM 2002 CB GLN A 115 2.600 -2.735 -4.074 1.00 41.14 C ATOM 2003 CG GLN A 115 2.218 -1.379 -3.510 1.00 43.52 C ATOM 2004 CD GLN A 115 1.508 -1.498 -2.173 1.00 11.10 C ATOM 2005 OE1 GLN A 115 0.376 -1.046 -2.017 1.00 2.40 O ATOM 2006 NE2 GLN A 115 2.169 -2.114 -1.199 1.00 40.24 N ATOM 0 H GLN A 115 3.007 -4.803 -6.028 1.00 11.00 H new ATOM 0 HA GLN A 115 2.043 -2.012 -6.012 1.00 51.34 H new ATOM 0 HB2 GLN A 115 1.866 -3.471 -3.746 1.00 41.14 H new ATOM 0 HB3 GLN A 115 3.560 -3.033 -3.653 1.00 41.14 H new ATOM 0 HG2 GLN A 115 3.114 -0.770 -3.391 1.00 43.52 H new ATOM 0 HG3 GLN A 115 1.572 -0.861 -4.219 1.00 43.52 H new ATOM 0 HE21 GLN A 115 3.108 -2.475 -1.369 1.00 40.24 H new ATOM 0 HE22 GLN A 115 1.738 -2.226 -0.281 1.00 40.24 H new ATOM 2015 N THR A 116 4.274 -1.687 -7.109 1.00 62.11 N ATOM 2016 CA THR A 116 5.596 -1.369 -7.655 1.00 35.22 C ATOM 2017 C THR A 116 6.214 -0.150 -6.971 1.00 51.32 C ATOM 2018 O THR A 116 5.527 0.830 -6.682 1.00 61.55 O ATOM 2019 CB THR A 116 5.503 -1.125 -9.167 1.00 32.14 C ATOM 2020 OG1 THR A 116 5.026 -2.280 -9.840 1.00 12.40 O ATOM 2021 CG2 THR A 116 6.827 -0.743 -9.800 1.00 14.34 C ATOM 0 H THR A 116 3.497 -1.237 -7.594 1.00 62.11 H new ATOM 0 HA THR A 116 6.243 -2.225 -7.464 1.00 35.22 H new ATOM 0 HB THR A 116 4.811 -0.290 -9.276 1.00 32.14 H new ATOM 0 HG1 THR A 116 4.974 -2.100 -10.802 1.00 12.40 H new ATOM 0 HG21 THR A 116 6.687 -0.586 -10.869 1.00 14.34 H new ATOM 0 HG22 THR A 116 7.197 0.175 -9.344 1.00 14.34 H new ATOM 0 HG23 THR A 116 7.550 -1.543 -9.643 1.00 14.34 H new ATOM 2029 N TYR A 117 7.526 -0.220 -6.736 1.00 33.44 N ATOM 2030 CA TYR A 117 8.268 0.874 -6.112 1.00 20.44 C ATOM 2031 C TYR A 117 9.503 1.206 -6.937 1.00 14.33 C ATOM 2032 O TYR A 117 10.168 0.316 -7.467 1.00 51.24 O ATOM 2033 CB TYR A 117 8.706 0.525 -4.688 1.00 72.24 C ATOM 2034 CG TYR A 117 7.567 0.270 -3.724 1.00 71.41 C ATOM 2035 CD1 TYR A 117 6.707 -0.807 -3.897 1.00 32.30 C ATOM 2036 CD2 TYR A 117 7.356 1.110 -2.638 1.00 54.33 C ATOM 2037 CE1 TYR A 117 5.670 -1.038 -3.016 1.00 32.12 C ATOM 2038 CE2 TYR A 117 6.322 0.884 -1.753 1.00 31.21 C ATOM 2039 CZ TYR A 117 5.482 -0.190 -1.947 1.00 23.30 C ATOM 2040 OH TYR A 117 4.451 -0.417 -1.069 1.00 42.41 O ATOM 0 H TYR A 117 8.099 -1.030 -6.971 1.00 33.44 H new ATOM 0 HA TYR A 117 7.599 1.734 -6.069 1.00 20.44 H new ATOM 0 HB2 TYR A 117 9.340 -0.361 -4.724 1.00 72.24 H new ATOM 0 HB3 TYR A 117 9.318 1.339 -4.300 1.00 72.24 H new ATOM 0 HD1 TYR A 117 6.852 -1.474 -4.734 1.00 32.30 H new ATOM 0 HD2 TYR A 117 8.012 1.954 -2.484 1.00 54.33 H new ATOM 0 HE1 TYR A 117 5.009 -1.879 -3.164 1.00 32.12 H new ATOM 0 HE2 TYR A 117 6.172 1.546 -0.913 1.00 31.21 H new ATOM 0 HH TYR A 117 4.458 0.271 -0.371 1.00 42.41 H new ATOM 2050 N VAL A 118 9.798 2.492 -7.036 1.00 74.42 N ATOM 2051 CA VAL A 118 10.958 2.962 -7.797 1.00 62.15 C ATOM 2052 C VAL A 118 11.961 3.686 -6.896 1.00 44.02 C ATOM 2053 O VAL A 118 11.614 4.670 -6.239 1.00 20.14 O ATOM 2054 CB VAL A 118 10.556 3.914 -8.948 1.00 22.43 C ATOM 2055 CG1 VAL A 118 11.469 3.698 -10.146 1.00 53.11 C ATOM 2056 CG2 VAL A 118 9.096 3.726 -9.345 1.00 42.23 C ATOM 0 H VAL A 118 9.252 3.235 -6.600 1.00 74.42 H new ATOM 0 HA VAL A 118 11.419 2.070 -8.220 1.00 62.15 H new ATOM 0 HB VAL A 118 10.670 4.939 -8.595 1.00 22.43 H new ATOM 0 HG11 VAL A 118 11.178 4.373 -10.951 1.00 53.11 H new ATOM 0 HG12 VAL A 118 12.501 3.900 -9.858 1.00 53.11 H new ATOM 0 HG13 VAL A 118 11.383 2.667 -10.488 1.00 53.11 H new ATOM 0 HG21 VAL A 118 8.848 4.411 -10.156 1.00 42.23 H new ATOM 0 HG22 VAL A 118 8.938 2.699 -9.676 1.00 42.23 H new ATOM 0 HG23 VAL A 118 8.456 3.933 -8.487 1.00 42.23 H new ATOM 2066 N TYR A 119 13.207 3.198 -6.875 1.00 3.24 N ATOM 2067 CA TYR A 119 14.262 3.805 -6.061 1.00 63.11 C ATOM 2068 C TYR A 119 15.505 4.102 -6.902 1.00 63.42 C ATOM 2069 O TYR A 119 16.286 3.202 -7.213 1.00 21.25 O ATOM 2070 CB TYR A 119 14.630 2.889 -4.884 1.00 44.42 C ATOM 2071 CG TYR A 119 15.578 3.520 -3.876 1.00 55.04 C ATOM 2072 CD1 TYR A 119 15.258 4.716 -3.235 1.00 42.53 C ATOM 2073 CD2 TYR A 119 16.793 2.914 -3.565 1.00 12.04 C ATOM 2074 CE1 TYR A 119 16.120 5.289 -2.314 1.00 25.40 C ATOM 2075 CE2 TYR A 119 17.661 3.477 -2.649 1.00 63.42 C ATOM 2076 CZ TYR A 119 17.321 4.665 -2.025 1.00 34.43 C ATOM 2077 OH TYR A 119 18.183 5.233 -1.115 1.00 61.11 O ATOM 0 H TYR A 119 13.507 2.385 -7.413 1.00 3.24 H new ATOM 0 HA TYR A 119 13.879 4.747 -5.669 1.00 63.11 H new ATOM 0 HB2 TYR A 119 13.716 2.592 -4.370 1.00 44.42 H new ATOM 0 HB3 TYR A 119 15.086 1.979 -5.275 1.00 44.42 H new ATOM 0 HD1 TYR A 119 14.322 5.205 -3.460 1.00 42.53 H new ATOM 0 HD2 TYR A 119 17.062 1.987 -4.049 1.00 12.04 H new ATOM 0 HE1 TYR A 119 15.857 6.215 -1.825 1.00 25.40 H new ATOM 0 HE2 TYR A 119 18.599 2.993 -2.421 1.00 63.42 H new ATOM 0 HH TYR A 119 18.980 4.670 -1.024 1.00 61.11 H new ATOM 2087 N GLU A 120 15.681 5.380 -7.248 1.00 75.32 N ATOM 2088 CA GLU A 120 16.830 5.843 -8.035 1.00 60.12 C ATOM 2089 C GLU A 120 17.106 4.951 -9.256 1.00 55.22 C ATOM 2090 O GLU A 120 18.180 4.352 -9.374 1.00 34.55 O ATOM 2091 CB GLU A 120 18.082 5.935 -7.146 1.00 12.03 C ATOM 2092 CG GLU A 120 17.784 6.095 -5.658 1.00 34.31 C ATOM 2093 CD GLU A 120 18.742 7.037 -4.941 1.00 12.43 C ATOM 2094 OE1 GLU A 120 19.498 7.765 -5.621 1.00 65.54 O ATOM 2095 OE2 GLU A 120 18.736 7.043 -3.692 1.00 2.14 O ATOM 0 H GLU A 120 15.032 6.124 -6.991 1.00 75.32 H new ATOM 0 HA GLU A 120 16.580 6.834 -8.414 1.00 60.12 H new ATOM 0 HB2 GLU A 120 18.683 5.037 -7.290 1.00 12.03 H new ATOM 0 HB3 GLU A 120 18.687 6.779 -7.476 1.00 12.03 H new ATOM 0 HG2 GLU A 120 16.766 6.465 -5.538 1.00 34.31 H new ATOM 0 HG3 GLU A 120 17.825 5.116 -5.181 1.00 34.31 H new ATOM 2102 N GLY A 121 16.136 4.880 -10.168 1.00 2.31 N ATOM 2103 CA GLY A 121 16.294 4.079 -11.376 1.00 60.42 C ATOM 2104 C GLY A 121 16.162 2.583 -11.136 1.00 63.33 C ATOM 2105 O GLY A 121 16.637 1.786 -11.943 1.00 25.31 O ATOM 0 H GLY A 121 15.241 5.364 -10.092 1.00 2.31 H new ATOM 0 HA2 GLY A 121 15.547 4.388 -12.107 1.00 60.42 H new ATOM 0 HA3 GLY A 121 17.272 4.284 -11.812 1.00 60.42 H new ATOM 2109 N VAL A 122 15.515 2.202 -10.033 1.00 64.25 N ATOM 2110 CA VAL A 122 15.323 0.794 -9.701 1.00 73.12 C ATOM 2111 C VAL A 122 13.865 0.528 -9.333 1.00 72.41 C ATOM 2112 O VAL A 122 13.448 0.743 -8.190 1.00 60.51 O ATOM 2113 CB VAL A 122 16.247 0.361 -8.542 1.00 72.45 C ATOM 2114 CG1 VAL A 122 15.983 -1.082 -8.136 1.00 42.44 C ATOM 2115 CG2 VAL A 122 17.709 0.547 -8.928 1.00 52.32 C ATOM 0 H VAL A 122 15.116 2.852 -9.355 1.00 64.25 H new ATOM 0 HA VAL A 122 15.582 0.206 -10.581 1.00 73.12 H new ATOM 0 HB VAL A 122 16.028 0.996 -7.684 1.00 72.45 H new ATOM 0 HG11 VAL A 122 16.649 -1.357 -7.318 1.00 42.44 H new ATOM 0 HG12 VAL A 122 14.948 -1.185 -7.811 1.00 42.44 H new ATOM 0 HG13 VAL A 122 16.163 -1.738 -8.987 1.00 42.44 H new ATOM 0 HG21 VAL A 122 18.346 0.237 -8.100 1.00 52.32 H new ATOM 0 HG22 VAL A 122 17.934 -0.059 -9.805 1.00 52.32 H new ATOM 0 HG23 VAL A 122 17.895 1.597 -9.155 1.00 52.32 H new ATOM 2125 N GLU A 123 13.093 0.073 -10.317 1.00 34.40 N ATOM 2126 CA GLU A 123 11.675 -0.213 -10.120 1.00 3.04 C ATOM 2127 C GLU A 123 11.439 -1.688 -9.786 1.00 64.34 C ATOM 2128 O GLU A 123 11.466 -2.548 -10.667 1.00 64.33 O ATOM 2129 CB GLU A 123 10.878 0.186 -11.367 1.00 24.20 C ATOM 2130 CG GLU A 123 9.602 0.951 -11.057 1.00 63.23 C ATOM 2131 CD GLU A 123 9.093 1.754 -12.241 1.00 73.42 C ATOM 2132 OE1 GLU A 123 9.663 2.830 -12.523 1.00 12.54 O ATOM 2133 OE2 GLU A 123 8.122 1.309 -12.886 1.00 33.14 O ATOM 0 H GLU A 123 13.428 -0.106 -11.263 1.00 34.40 H new ATOM 0 HA GLU A 123 11.330 0.377 -9.271 1.00 3.04 H new ATOM 0 HB2 GLU A 123 11.510 0.797 -12.011 1.00 24.20 H new ATOM 0 HB3 GLU A 123 10.625 -0.713 -11.929 1.00 24.20 H new ATOM 0 HG2 GLU A 123 8.830 0.248 -10.742 1.00 63.23 H new ATOM 0 HG3 GLU A 123 9.782 1.624 -10.218 1.00 63.23 H new ATOM 2140 N ALA A 124 11.194 -1.964 -8.506 1.00 44.34 N ATOM 2141 CA ALA A 124 10.934 -3.323 -8.033 1.00 12.21 C ATOM 2142 C ALA A 124 9.502 -3.440 -7.520 1.00 3.45 C ATOM 2143 O ALA A 124 8.908 -2.444 -7.104 1.00 11.22 O ATOM 2144 CB ALA A 124 11.923 -3.695 -6.938 1.00 24.12 C ATOM 0 H ALA A 124 11.170 -1.257 -7.771 1.00 44.34 H new ATOM 0 HA ALA A 124 11.060 -4.015 -8.866 1.00 12.21 H new ATOM 0 HB1 ALA A 124 11.720 -4.709 -6.593 1.00 24.12 H new ATOM 0 HB2 ALA A 124 12.938 -3.642 -7.331 1.00 24.12 H new ATOM 0 HB3 ALA A 124 11.820 -3.001 -6.104 1.00 24.12 H new ATOM 2150 N LYS A 125 8.939 -4.650 -7.552 1.00 23.22 N ATOM 2151 CA LYS A 125 7.563 -4.849 -7.086 1.00 45.24 C ATOM 2152 C LYS A 125 7.382 -6.168 -6.334 1.00 34.12 C ATOM 2153 O LYS A 125 8.025 -7.174 -6.643 1.00 3.13 O ATOM 2154 CB LYS A 125 6.560 -4.793 -8.254 1.00 74.41 C ATOM 2155 CG LYS A 125 7.180 -4.534 -9.622 1.00 13.30 C ATOM 2156 CD LYS A 125 7.845 -5.782 -10.184 1.00 4.11 C ATOM 2157 CE LYS A 125 7.405 -6.056 -11.616 1.00 12.33 C ATOM 2158 NZ LYS A 125 8.453 -6.770 -12.400 1.00 1.01 N ATOM 0 H LYS A 125 9.404 -5.493 -7.889 1.00 23.22 H new ATOM 0 HA LYS A 125 7.363 -4.031 -6.394 1.00 45.24 H new ATOM 0 HB2 LYS A 125 6.015 -5.736 -8.291 1.00 74.41 H new ATOM 0 HB3 LYS A 125 5.829 -4.011 -8.049 1.00 74.41 H new ATOM 0 HG2 LYS A 125 6.409 -4.190 -10.312 1.00 13.30 H new ATOM 0 HG3 LYS A 125 7.916 -3.734 -9.542 1.00 13.30 H new ATOM 0 HD2 LYS A 125 8.928 -5.663 -10.152 1.00 4.11 H new ATOM 0 HD3 LYS A 125 7.600 -6.639 -9.557 1.00 4.11 H new ATOM 0 HE2 LYS A 125 6.492 -6.651 -11.606 1.00 12.33 H new ATOM 0 HE3 LYS A 125 7.165 -5.113 -12.107 1.00 12.33 H new ATOM 0 HZ1 LYS A 125 8.525 -6.349 -13.348 1.00 1.01 H new ATOM 0 HZ2 LYS A 125 9.368 -6.686 -11.913 1.00 1.01 H new ATOM 0 HZ3 LYS A 125 8.198 -7.775 -12.486 1.00 1.01 H new ATOM 2172 N ARG A 126 6.466 -6.143 -5.365 1.00 62.24 N ATOM 2173 CA ARG A 126 6.125 -7.313 -4.560 1.00 12.32 C ATOM 2174 C ARG A 126 4.736 -7.799 -4.962 1.00 62.22 C ATOM 2175 O ARG A 126 3.765 -7.038 -4.896 1.00 33.43 O ATOM 2176 CB ARG A 126 6.151 -6.959 -3.068 1.00 44.04 C ATOM 2177 CG ARG A 126 6.406 -8.150 -2.155 1.00 2.12 C ATOM 2178 CD ARG A 126 7.893 -8.369 -1.919 1.00 11.30 C ATOM 2179 NE ARG A 126 8.285 -8.089 -0.536 1.00 11.52 N ATOM 2180 CZ ARG A 126 8.768 -6.915 -0.112 1.00 5.52 C ATOM 2181 NH1 ARG A 126 8.894 -5.890 -0.953 1.00 3.04 N ATOM 2182 NH2 ARG A 126 9.124 -6.767 1.160 1.00 62.22 N ATOM 0 H ARG A 126 5.938 -5.306 -5.117 1.00 62.24 H new ATOM 0 HA ARG A 126 6.856 -8.103 -4.735 1.00 12.32 H new ATOM 0 HB2 ARG A 126 6.924 -6.210 -2.896 1.00 44.04 H new ATOM 0 HB3 ARG A 126 5.199 -6.503 -2.796 1.00 44.04 H new ATOM 0 HG2 ARG A 126 5.905 -7.990 -1.200 1.00 2.12 H new ATOM 0 HG3 ARG A 126 5.972 -9.047 -2.597 1.00 2.12 H new ATOM 0 HD2 ARG A 126 8.149 -9.399 -2.165 1.00 11.30 H new ATOM 0 HD3 ARG A 126 8.463 -7.729 -2.592 1.00 11.30 H new ATOM 0 HE ARG A 126 8.183 -8.838 0.149 1.00 11.52 H new ATOM 0 HH11 ARG A 126 8.621 -5.996 -1.930 1.00 3.04 H new ATOM 0 HH12 ARG A 126 9.263 -4.999 -0.620 1.00 3.04 H new ATOM 0 HH21 ARG A 126 9.029 -7.547 1.810 1.00 62.22 H new ATOM 0 HH22 ARG A 126 9.492 -5.873 1.486 1.00 62.22 H new ATOM 2196 N ILE A 127 4.642 -9.054 -5.394 1.00 60.44 N ATOM 2197 CA ILE A 127 3.364 -9.616 -5.820 1.00 55.24 C ATOM 2198 C ILE A 127 2.723 -10.416 -4.696 1.00 34.20 C ATOM 2199 O ILE A 127 3.168 -11.520 -4.374 1.00 73.23 O ATOM 2200 CB ILE A 127 3.521 -10.517 -7.065 1.00 21.42 C ATOM 2201 CG1 ILE A 127 4.215 -9.753 -8.196 1.00 53.42 C ATOM 2202 CG2 ILE A 127 2.164 -11.033 -7.526 1.00 53.35 C ATOM 2203 CD1 ILE A 127 5.262 -10.569 -8.921 1.00 20.21 C ATOM 0 H ILE A 127 5.431 -9.698 -5.458 1.00 60.44 H new ATOM 0 HA ILE A 127 2.720 -8.776 -6.081 1.00 55.24 H new ATOM 0 HB ILE A 127 4.141 -11.372 -6.794 1.00 21.42 H new ATOM 0 HG12 ILE A 127 3.464 -9.420 -8.913 1.00 53.42 H new ATOM 0 HG13 ILE A 127 4.683 -8.858 -7.786 1.00 53.42 H new ATOM 0 HG21 ILE A 127 2.294 -11.666 -8.404 1.00 53.35 H new ATOM 0 HG22 ILE A 127 1.704 -11.613 -6.726 1.00 53.35 H new ATOM 0 HG23 ILE A 127 1.521 -10.190 -7.779 1.00 53.35 H new ATOM 0 HD11 ILE A 127 5.712 -9.965 -9.709 1.00 20.21 H new ATOM 0 HD12 ILE A 127 6.033 -10.880 -8.216 1.00 20.21 H new ATOM 0 HD13 ILE A 127 4.796 -11.451 -9.361 1.00 20.21 H new ATOM 2215 N PHE A 128 1.674 -9.852 -4.102 1.00 4.04 N ATOM 2216 CA PHE A 128 0.975 -10.520 -3.014 1.00 24.12 C ATOM 2217 C PHE A 128 -0.267 -11.236 -3.525 1.00 12.40 C ATOM 2218 O PHE A 128 -1.128 -10.629 -4.169 1.00 74.43 O ATOM 2219 CB PHE A 128 0.559 -9.516 -1.932 1.00 12.01 C ATOM 2220 CG PHE A 128 1.609 -8.497 -1.593 1.00 34.22 C ATOM 2221 CD1 PHE A 128 2.575 -8.767 -0.636 1.00 33.20 C ATOM 2222 CD2 PHE A 128 1.624 -7.265 -2.227 1.00 54.02 C ATOM 2223 CE1 PHE A 128 3.537 -7.827 -0.321 1.00 64.21 C ATOM 2224 CE2 PHE A 128 2.583 -6.321 -1.915 1.00 45.01 C ATOM 2225 CZ PHE A 128 3.541 -6.603 -0.960 1.00 14.11 C ATOM 0 H PHE A 128 1.293 -8.940 -4.355 1.00 4.04 H new ATOM 0 HA PHE A 128 1.663 -11.249 -2.586 1.00 24.12 H new ATOM 0 HB2 PHE A 128 -0.341 -8.997 -2.262 1.00 12.01 H new ATOM 0 HB3 PHE A 128 0.296 -10.064 -1.027 1.00 12.01 H new ATOM 0 HD1 PHE A 128 2.575 -9.722 -0.132 1.00 33.20 H new ATOM 0 HD2 PHE A 128 0.877 -7.040 -2.974 1.00 54.02 H new ATOM 0 HE1 PHE A 128 4.286 -8.049 0.425 1.00 64.21 H new ATOM 0 HE2 PHE A 128 2.584 -5.364 -2.416 1.00 45.01 H new ATOM 0 HZ PHE A 128 4.292 -5.867 -0.714 1.00 14.11 H new ATOM 2235 N LYS A 129 -0.368 -12.519 -3.201 1.00 52.01 N ATOM 2236 CA LYS A 129 -1.522 -13.321 -3.588 1.00 61.23 C ATOM 2237 C LYS A 129 -2.332 -13.670 -2.354 1.00 52.55 C ATOM 2238 O LYS A 129 -1.780 -13.813 -1.263 1.00 32.11 O ATOM 2239 CB LYS A 129 -1.084 -14.596 -4.303 1.00 5.34 C ATOM 2240 CG LYS A 129 -2.190 -15.285 -5.089 1.00 21.43 C ATOM 2241 CD LYS A 129 -2.977 -16.272 -4.235 1.00 54.41 C ATOM 2242 CE LYS A 129 -2.069 -17.220 -3.462 1.00 61.32 C ATOM 2243 NZ LYS A 129 -1.131 -17.949 -4.361 1.00 60.31 N ATOM 0 H LYS A 129 0.338 -13.028 -2.669 1.00 52.01 H new ATOM 0 HA LYS A 129 -2.136 -12.740 -4.276 1.00 61.23 H new ATOM 0 HB2 LYS A 129 -0.267 -14.355 -4.983 1.00 5.34 H new ATOM 0 HB3 LYS A 129 -0.689 -15.295 -3.566 1.00 5.34 H new ATOM 0 HG2 LYS A 129 -2.869 -14.533 -5.491 1.00 21.43 H new ATOM 0 HG3 LYS A 129 -1.755 -15.810 -5.940 1.00 21.43 H new ATOM 0 HD2 LYS A 129 -3.605 -15.722 -3.534 1.00 54.41 H new ATOM 0 HD3 LYS A 129 -3.643 -16.851 -4.874 1.00 54.41 H new ATOM 0 HE2 LYS A 129 -1.499 -16.655 -2.724 1.00 61.32 H new ATOM 0 HE3 LYS A 129 -2.678 -17.939 -2.913 1.00 61.32 H new ATOM 0 HZ1 LYS A 129 -0.741 -18.773 -3.861 1.00 60.31 H new ATOM 0 HZ2 LYS A 129 -1.641 -18.269 -5.209 1.00 60.31 H new ATOM 0 HZ3 LYS A 129 -0.356 -17.315 -4.641 1.00 60.31 H new ATOM 2257 N LYS A 130 -3.640 -13.802 -2.533 1.00 40.21 N ATOM 2258 CA LYS A 130 -4.542 -14.133 -1.430 1.00 43.41 C ATOM 2259 C LYS A 130 -3.963 -15.221 -0.541 1.00 13.11 C ATOM 2260 O LYS A 130 -3.282 -16.134 -1.013 1.00 23.14 O ATOM 2261 CB LYS A 130 -5.891 -14.613 -1.941 1.00 53.25 C ATOM 2262 CG LYS A 130 -6.519 -13.722 -2.995 1.00 51.34 C ATOM 2263 CD LYS A 130 -7.878 -13.222 -2.545 1.00 25.40 C ATOM 2264 CE LYS A 130 -8.213 -11.888 -3.182 1.00 34.45 C ATOM 2265 NZ LYS A 130 -8.647 -12.039 -4.598 1.00 32.53 N ATOM 0 H LYS A 130 -4.104 -13.685 -3.434 1.00 40.21 H new ATOM 0 HA LYS A 130 -4.668 -13.216 -0.855 1.00 43.41 H new ATOM 0 HB2 LYS A 130 -5.773 -15.615 -2.354 1.00 53.25 H new ATOM 0 HB3 LYS A 130 -6.576 -14.695 -1.097 1.00 53.25 H new ATOM 0 HG2 LYS A 130 -5.864 -12.874 -3.197 1.00 51.34 H new ATOM 0 HG3 LYS A 130 -6.622 -14.275 -3.929 1.00 51.34 H new ATOM 0 HD2 LYS A 130 -8.642 -13.954 -2.806 1.00 25.40 H new ATOM 0 HD3 LYS A 130 -7.890 -13.122 -1.460 1.00 25.40 H new ATOM 0 HE2 LYS A 130 -9.004 -11.402 -2.610 1.00 34.45 H new ATOM 0 HE3 LYS A 130 -7.341 -11.236 -3.138 1.00 34.45 H new ATOM 0 HZ1 LYS A 130 -8.100 -11.391 -5.200 1.00 32.53 H new ATOM 0 HZ2 LYS A 130 -8.486 -13.019 -4.908 1.00 32.53 H new ATOM 0 HZ3 LYS A 130 -9.659 -11.813 -4.677 1.00 32.53 H new ATOM 2279 N ASP A 131 -4.267 -15.129 0.740 1.00 33.44 N ATOM 2280 CA ASP A 131 -3.803 -16.117 1.702 1.00 55.01 C ATOM 2281 C ASP A 131 -4.964 -16.975 2.198 1.00 62.41 C ATOM 2282 O ASP A 131 -4.758 -18.189 2.388 1.00 62.41 O ATOM 2283 CB ASP A 131 -3.102 -15.446 2.886 1.00 0.44 C ATOM 2284 CG ASP A 131 -2.385 -16.450 3.772 1.00 25.35 C ATOM 2285 OD1 ASP A 131 -1.566 -17.234 3.246 1.00 15.32 O ATOM 2286 OD2 ASP A 131 -2.645 -16.455 4.992 1.00 75.41 O ATOM 2287 OXT ASP A 131 -6.072 -16.426 2.388 1.00 62.41 O ATOM 0 H ASP A 131 -4.833 -14.381 1.141 1.00 33.44 H new ATOM 0 HA ASP A 131 -3.083 -16.760 1.196 1.00 55.01 H new ATOM 0 HB2 ASP A 131 -2.384 -14.715 2.514 1.00 0.44 H new ATOM 0 HB3 ASP A 131 -3.836 -14.900 3.479 1.00 0.44 H new TER 2292 ASP A 131 HETATM 2293 C1 OLA A 201 1.327 3.523 2.035 1.00 20.00 C HETATM 2294 O1 OLA A 201 0.860 4.536 2.598 1.00 20.00 O HETATM 2295 O2 OLA A 201 0.642 2.762 1.318 1.00 20.00 O HETATM 2296 C2 OLA A 201 2.799 3.205 2.222 1.00 20.00 C HETATM 2297 C3 OLA A 201 3.053 2.261 3.389 1.00 20.00 C HETATM 2298 C4 OLA A 201 3.932 1.088 2.981 1.00 20.00 C HETATM 2299 C5 OLA A 201 5.407 1.393 3.185 1.00 20.00 C HETATM 2300 C6 OLA A 201 6.288 0.294 2.608 1.00 20.00 C HETATM 2301 C7 OLA A 201 7.647 0.829 2.176 1.00 20.00 C HETATM 2302 C8 OLA A 201 8.767 0.285 3.052 1.00 20.00 C HETATM 2303 C9 OLA A 201 10.088 0.297 2.282 1.00 20.00 C HETATM 2304 C10 OLA A 201 11.356 -0.269 2.928 1.00 20.00 C HETATM 2305 C11 OLA A 201 11.302 -0.847 4.344 1.00 20.00 C HETATM 2306 C12 OLA A 201 12.555 -0.458 5.114 1.00 20.00 C HETATM 2307 C13 OLA A 201 13.690 -1.441 4.866 1.00 20.00 C HETATM 2308 C14 OLA A 201 14.404 -1.815 6.159 1.00 20.00 C HETATM 2309 C15 OLA A 201 14.338 -3.313 6.420 1.00 20.00 C HETATM 2310 C16 OLA A 201 15.587 -3.813 7.133 1.00 20.00 C HETATM 2311 C17 OLA A 201 15.454 -5.274 7.538 1.00 20.00 C HETATM 2312 C18 OLA A 201 15.411 -5.517 9.032 1.00 20.00 C HETATM 0 H183 OLA A 201 16.330 -5.147 9.487 1.00 20.00 H new HETATM 0 H182 OLA A 201 14.557 -4.993 9.461 1.00 20.00 H new HETATM 0 H181 OLA A 201 15.315 -6.586 9.224 1.00 20.00 H new HETATM 0 H172 OLA A 201 14.546 -5.679 7.092 1.00 20.00 H new HETATM 0 H171 OLA A 201 16.291 -5.831 7.117 1.00 20.00 H new HETATM 0 H162 OLA A 201 16.452 -3.693 6.480 1.00 20.00 H new HETATM 0 H161 OLA A 201 15.769 -3.204 8.019 1.00 20.00 H new HETATM 0 H152 OLA A 201 13.459 -3.539 7.023 1.00 20.00 H new HETATM 0 H151 OLA A 201 14.221 -3.843 5.475 1.00 20.00 H new HETATM 0 H142 OLA A 201 15.446 -1.500 6.105 1.00 20.00 H new HETATM 0 H141 OLA A 201 13.952 -1.279 6.994 1.00 20.00 H new HETATM 0 H132 OLA A 201 13.295 -2.341 4.395 1.00 20.00 H new HETATM 0 H131 OLA A 201 14.405 -1.003 4.169 1.00 20.00 H new HETATM 0 H122 OLA A 201 12.869 0.543 4.819 1.00 20.00 H new HETATM 0 H121 OLA A 201 12.331 -0.421 6.180 1.00 20.00 H new HETATM 0 H112 OLA A 201 10.417 -0.478 4.863 1.00 20.00 H new HETATM 0 H111 OLA A 201 11.215 -1.933 4.299 1.00 20.00 H new HETATM 0 HO2 OLA A 201 0.520 1.904 1.775 1.00 20.00 H new HETATM 0 H9 OLA A 201 10.127 0.708 1.273 1.00 20.00 H new HETATM 0 H82 OLA A 201 8.858 0.888 3.956 1.00 20.00 H new HETATM 0 H81 OLA A 201 8.531 -0.731 3.369 1.00 20.00 H new HETATM 0 H72 OLA A 201 7.832 0.557 1.137 1.00 20.00 H new HETATM 0 H71 OLA A 201 7.642 1.918 2.225 1.00 20.00 H new HETATM 0 H62 OLA A 201 6.426 -0.490 3.352 1.00 20.00 H new HETATM 0 H61 OLA A 201 5.788 -0.162 1.753 1.00 20.00 H new HETATM 0 H52 OLA A 201 5.652 2.344 2.711 1.00 20.00 H new HETATM 0 H51 OLA A 201 5.613 1.505 4.250 1.00 20.00 H new HETATM 0 H42 OLA A 201 3.658 0.208 3.564 1.00 20.00 H new HETATM 0 H41 OLA A 201 3.752 0.845 1.934 1.00 20.00 H new HETATM 0 H32 OLA A 201 3.530 2.808 4.203 1.00 20.00 H new HETATM 0 H31 OLA A 201 2.102 1.888 3.770 1.00 20.00 H new HETATM 0 H22 OLA A 201 3.189 2.758 1.307 1.00 20.00 H new HETATM 0 H21 OLA A 201 3.349 4.132 2.384 1.00 20.00 H new HETATM 0 H10 OLA A 201 12.298 -0.260 2.379 1.00 20.00 H new