USER MOD reduce.3.24.130724 H: found=0, std=0, add=1133, rem=0, adj=55 USER MOD reduce.3.24.130724 removed 1134 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 126 ASNHD21 : A 126 ASN ND2 : A 161 NAG C1 :(H bumps) USER MOD Set 1.1: A 146 GLN :FLIP amide:sc= -1.65 F(o=-14!,f=-11) USER MOD Set 1.2: A 147 ASN : amide:sc= -9.31! C(o=-11!,f=-18!) USER MOD Set 2.1: A 125 HIS : no HD1:sc= -0.585 X(o=-5.9,f=-6) USER MOD Set 2.2: A 127 TYR OH : rot 15:sc= -5.35! USER MOD Set 3.1: A 86 SER OG : rot 46:sc= -2.55! USER MOD Set 3.2: A 87 ASN : amide:sc= -1.01! C(o=-3.6!,f=-7.7!) USER MOD Set 4.1: A 47 TYR OH : rot 102:sc= -1.56! USER MOD Set 4.2: A 79 HIS : no HD1:sc= -3.15! C(o=-4.7!,f=-10!) USER MOD Set 5.1: A 61 THR OG1 : rot -133:sc= 0.12 USER MOD Set 5.2: A 66 THR OG1 : rot 180:sc= 1.01 USER MOD Set 6.1: A 16 MET CE :methyl -172:sc= -16.2! (180deg=-12.7!) USER MOD Set 6.2: A 111 SER OG : rot 59:sc= -0.627 USER MOD Set 6.3: A 144 THR OG1 : rot 58:sc= -2.77! USER MOD Set 7.1: A 13 SER OG : rot 180:sc= 1 USER MOD Set 7.2: A 153 LYS NZ :NH3+ 180:sc= 1.19 (180deg=0) USER MOD Single : A 1 TYR N :NH3+ -149:sc= 0.0262 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 HIS :FLIP no HD1:sc= -9.11! C(o=-12!,f=-9.1!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0458 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -6:sc= -2.84! USER MOD Single : A 17 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.9!) USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0.796 (180deg=0.745) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 24 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.56 X(o=-0.56,f=-0.16) USER MOD Single : A 27 MET CE :methyl -107:sc= -7.83! (180deg=-11.4!) USER MOD Single : A 30 THR OG1 : rot 120:sc= -5.73! USER MOD Single : A 34 ASN : amide:sc= -3.58! C(o=-3.6!,f=-3.2!) USER MOD Single : A 37 SER OG : rot -130:sc= -4.27! USER MOD Single : A 39 GLN : amide:sc=-0.00322 X(o=-0.0032,f=-0.39) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -117:sc= -1.72 USER MOD Single : A 50 ASN : amide:sc= -0.707 K(o=-0.71,f=-10!) USER MOD Single : A 51 SER OG : rot 60:sc= -3.11! USER MOD Single : A 52 ASN : amide:sc= -2.11! C(o=-2.1!,f=-3.6!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.582 K(o=-0.58,f=-2.1!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 167:sc= -1.42! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 76 GLN : amide:sc= -0.0491 X(o=-0.049,f=0) USER MOD Single : A 83 SER OG : rot 73:sc= -3.84! USER MOD Single : A 84 THR OG1 : rot -157:sc= -6.89! USER MOD Single : A 85 THR OG1 : rot 95:sc= -1.3 USER MOD Single : A 88 TYR OH : rot 114:sc= 0.653 USER MOD Single : A 90 GLN : amide:sc= -0.19 K(o=-0.19,f=-2!) USER MOD Single : A 92 GLN :FLIP amide:sc= -4.15! C(o=-4.7!,f=-4.1!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -17:sc= -6.61! USER MOD Single : A 98 THR OG1 : rot -92:sc= -1.98! USER MOD Single : A 100 HIS :FLIP no HD1:sc= -2.24! C(o=-4.5!,f=-2.2!) USER MOD Single : A 101 THR OG1 : rot -172:sc= -3.56! USER MOD Single : A 105 GLN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 106 THR OG1 : rot 14:sc= 0.91 USER MOD Single : A 110 ASN :FLIP amide:sc= -1.03 F(o=-1.6,f=-1) USER MOD Single : A 112 ASN : amide:sc= -0.017 X(o=-0.017,f=-0.31) USER MOD Single : A 117 HIS :FLIP no HD1:sc= -1.41! C(o=-3.7!,f=-1.4!) USER MOD Single : A 122 TYR OH : rot -152:sc= 0.809 USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 ASN : amide:sc= -5.3! C(o=-5.3!,f=-5.8!) USER MOD Single : A 128 THR OG1 : rot -26:sc= -4.31! USER MOD Single : A 131 THR OG1 : rot 149:sc= 0.0712! USER MOD Single : A 132 SER OG : rot -110:sc= 0.234 USER MOD Single : A 138 ASN : amide:sc= -0.0378 X(o=-0.038,f=-0.24) USER MOD Single : A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 162:sc= -0.143 (180deg=-0.532) USER MOD Single : A 145 THR OG1 : rot 140:sc= 0 USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 159 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 161 NAG O3 : rot 146:sc= 0.0182 USER MOD Single : A 161 NAG O4 : rot -148:sc= 0.676 USER MOD Single : A 161 NAG O6 : rot 180:sc= 0.604 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 10.100 0.725 23.611 1.00 0.00 N ATOM 2 CA TYR A 1 9.479 -0.581 23.269 1.00 0.00 C ATOM 3 C TYR A 1 9.946 -1.073 21.903 1.00 0.00 C ATOM 4 O TYR A 1 11.052 -0.758 21.463 1.00 0.00 O ATOM 5 CB TYR A 1 7.958 -0.415 23.277 1.00 0.00 C ATOM 6 CG TYR A 1 7.220 -1.615 23.827 1.00 0.00 C ATOM 7 CD1 TYR A 1 7.716 -2.320 24.917 1.00 0.00 C ATOM 8 CD2 TYR A 1 6.028 -2.042 23.257 1.00 0.00 C ATOM 9 CE1 TYR A 1 7.045 -3.418 25.422 1.00 0.00 C ATOM 10 CE2 TYR A 1 5.350 -3.138 23.756 1.00 0.00 C ATOM 11 CZ TYR A 1 5.863 -3.823 24.839 1.00 0.00 C ATOM 12 OH TYR A 1 5.192 -4.914 25.339 1.00 0.00 O ATOM 0 H1 TYR A 1 10.219 0.793 24.642 1.00 0.00 H new ATOM 0 H2 TYR A 1 11.029 0.799 23.150 1.00 0.00 H new ATOM 0 H3 TYR A 1 9.487 1.498 23.281 1.00 0.00 H new ATOM 0 HA TYR A 1 9.781 -1.324 24.007 1.00 0.00 H new ATOM 0 HB2 TYR A 1 7.700 0.463 23.870 1.00 0.00 H new ATOM 0 HB3 TYR A 1 7.617 -0.224 22.260 1.00 0.00 H new ATOM 0 HD1 TYR A 1 8.641 -2.005 25.377 1.00 0.00 H new ATOM 0 HD2 TYR A 1 5.624 -1.509 22.409 1.00 0.00 H new ATOM 0 HE1 TYR A 1 7.445 -3.956 26.269 1.00 0.00 H new ATOM 0 HE2 TYR A 1 4.424 -3.457 23.301 1.00 0.00 H new ATOM 0 HH TYR A 1 4.377 -5.065 24.816 1.00 0.00 H new ATOM 24 N GLY A 2 9.097 -1.847 21.235 1.00 0.00 N ATOM 25 CA GLY A 2 9.441 -2.369 19.926 1.00 0.00 C ATOM 26 C GLY A 2 8.259 -3.011 19.228 1.00 0.00 C ATOM 27 O GLY A 2 7.403 -3.618 19.873 1.00 0.00 O ATOM 0 H GLY A 2 8.176 -2.122 21.577 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.829 -1.560 19.307 1.00 0.00 H new ATOM 0 HA3 GLY A 2 10.240 -3.103 20.030 1.00 0.00 H new ATOM 31 N HIS A 3 8.210 -2.877 17.907 1.00 0.00 N ATOM 32 CA HIS A 3 7.123 -3.449 17.120 1.00 0.00 C ATOM 33 C HIS A 3 5.768 -3.094 17.725 1.00 0.00 C ATOM 34 O HIS A 3 5.693 -2.462 18.778 1.00 0.00 O ATOM 35 CB HIS A 3 7.273 -4.969 17.033 1.00 0.00 C ATOM 36 CG HIS A 3 6.881 -5.682 18.289 1.00 0.00 C ATOM 37 ND1 HIS A 3 5.760 -5.596 19.045 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 7.686 -6.614 18.908 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 5.908 -6.468 20.094 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 7.079 -7.072 19.989 1.00 0.00 N flip ATOM 0 H HIS A 3 8.910 -2.377 17.359 1.00 0.00 H new ATOM 0 HA HIS A 3 7.174 -3.028 16.116 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.663 -5.339 16.209 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.309 -5.211 16.796 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.662 -6.922 18.563 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.185 -6.634 20.879 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.450 -7.771 20.632 1.00 0.00 H new ATOM 49 N CYS A 4 4.699 -3.506 17.051 1.00 0.00 N ATOM 50 CA CYS A 4 3.346 -3.233 17.520 1.00 0.00 C ATOM 51 C CYS A 4 2.485 -4.490 17.459 1.00 0.00 C ATOM 52 O CYS A 4 2.261 -5.046 16.384 1.00 0.00 O ATOM 53 CB CYS A 4 2.709 -2.123 16.684 1.00 0.00 C ATOM 54 SG CYS A 4 3.670 -0.576 16.647 1.00 0.00 S ATOM 0 H CYS A 4 4.744 -4.031 16.177 1.00 0.00 H new ATOM 0 HA CYS A 4 3.407 -2.907 18.558 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.578 -2.481 15.663 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.715 -1.911 17.078 1.00 0.00 H new ATOM 59 N VAL A 5 2.007 -4.931 18.617 1.00 0.00 N ATOM 60 CA VAL A 5 1.172 -6.124 18.694 1.00 0.00 C ATOM 61 C VAL A 5 -0.295 -5.786 18.447 1.00 0.00 C ATOM 62 O VAL A 5 -0.974 -5.248 19.321 1.00 0.00 O ATOM 63 CB VAL A 5 1.306 -6.816 20.064 1.00 0.00 C ATOM 64 CG1 VAL A 5 0.245 -7.895 20.223 1.00 0.00 C ATOM 65 CG2 VAL A 5 2.700 -7.399 20.231 1.00 0.00 C ATOM 0 H VAL A 5 2.183 -4.481 19.515 1.00 0.00 H new ATOM 0 HA VAL A 5 1.520 -6.804 17.917 1.00 0.00 H new ATOM 0 HB VAL A 5 1.152 -6.071 20.845 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.355 -8.373 21.196 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.745 -7.445 20.149 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.364 -8.641 19.437 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.777 -7.884 21.204 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.885 -8.131 19.445 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.439 -6.600 20.164 1.00 0.00 H new ATOM 75 N THR A 6 -0.777 -6.106 17.250 1.00 0.00 N ATOM 76 CA THR A 6 -2.163 -5.837 16.888 1.00 0.00 C ATOM 77 C THR A 6 -2.873 -7.114 16.451 1.00 0.00 C ATOM 78 O THR A 6 -2.270 -8.186 16.399 1.00 0.00 O ATOM 79 CB THR A 6 -2.259 -4.795 15.757 1.00 0.00 C ATOM 80 OG1 THR A 6 -3.574 -4.228 15.722 1.00 0.00 O ATOM 81 CG2 THR A 6 -1.938 -5.423 14.409 1.00 0.00 C ATOM 0 H THR A 6 -0.228 -6.552 16.515 1.00 0.00 H new ATOM 0 HA THR A 6 -2.651 -5.439 17.778 1.00 0.00 H new ATOM 0 HB THR A 6 -1.529 -4.010 15.957 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.626 -3.566 15.002 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.013 -4.666 13.628 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.926 -5.826 14.427 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.645 -6.227 14.204 1.00 0.00 H new ATOM 89 N ASP A 7 -4.160 -6.992 16.138 1.00 0.00 N ATOM 90 CA ASP A 7 -4.953 -8.136 15.705 1.00 0.00 C ATOM 91 C ASP A 7 -5.117 -9.147 16.836 1.00 0.00 C ATOM 92 O ASP A 7 -5.621 -10.252 16.626 1.00 0.00 O ATOM 93 CB ASP A 7 -4.299 -8.809 14.496 1.00 0.00 C ATOM 94 CG ASP A 7 -4.473 -8.005 13.223 1.00 0.00 C ATOM 95 OD1 ASP A 7 -5.553 -7.404 13.043 1.00 0.00 O ATOM 96 OD2 ASP A 7 -3.528 -7.976 12.406 1.00 0.00 O ATOM 0 H ASP A 7 -4.675 -6.112 16.176 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.941 -7.773 15.421 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.236 -8.948 14.692 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.730 -9.801 14.358 1.00 0.00 H new ATOM 101 N SER A 8 -4.692 -8.763 18.036 1.00 0.00 N ATOM 102 CA SER A 8 -4.796 -9.636 19.199 1.00 0.00 C ATOM 103 C SER A 8 -3.760 -10.755 19.138 1.00 0.00 C ATOM 104 O SER A 8 -3.957 -11.827 19.710 1.00 0.00 O ATOM 105 CB SER A 8 -6.201 -10.233 19.291 1.00 0.00 C ATOM 106 OG SER A 8 -6.655 -10.266 20.633 1.00 0.00 O ATOM 0 H SER A 8 -4.273 -7.853 18.228 1.00 0.00 H new ATOM 0 HA SER A 8 -4.603 -9.036 20.088 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.890 -9.644 18.685 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.198 -11.243 18.880 1.00 0.00 H new ATOM 0 HG SER A 8 -7.556 -10.650 20.664 1.00 0.00 H new ATOM 112 N GLY A 9 -2.655 -10.500 18.444 1.00 0.00 N ATOM 113 CA GLY A 9 -1.609 -11.499 18.328 1.00 0.00 C ATOM 114 C GLY A 9 -0.720 -11.281 17.118 1.00 0.00 C ATOM 115 O GLY A 9 0.393 -11.804 17.056 1.00 0.00 O ATOM 0 H GLY A 9 -2.466 -9.622 17.961 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.997 -11.484 19.230 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.063 -12.488 18.266 1.00 0.00 H new ATOM 119 N VAL A 10 -1.212 -10.511 16.153 1.00 0.00 N ATOM 120 CA VAL A 10 -0.451 -10.231 14.940 1.00 0.00 C ATOM 121 C VAL A 10 0.344 -8.939 15.075 1.00 0.00 C ATOM 122 O VAL A 10 -0.134 -7.862 14.717 1.00 0.00 O ATOM 123 CB VAL A 10 -1.370 -10.128 13.709 1.00 0.00 C ATOM 124 CG1 VAL A 10 -0.607 -10.483 12.442 1.00 0.00 C ATOM 125 CG2 VAL A 10 -2.589 -11.024 13.875 1.00 0.00 C ATOM 0 H VAL A 10 -2.131 -10.071 16.187 1.00 0.00 H new ATOM 0 HA VAL A 10 0.237 -11.065 14.801 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.715 -9.098 13.621 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.273 -10.405 11.582 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.230 -9.796 12.317 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.231 -11.503 12.518 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.227 -10.938 12.995 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.267 -12.059 13.990 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.148 -10.718 14.759 1.00 0.00 H new ATOM 135 N VAL A 11 1.561 -9.054 15.592 1.00 0.00 N ATOM 136 CA VAL A 11 2.427 -7.898 15.775 1.00 0.00 C ATOM 137 C VAL A 11 3.089 -7.497 14.460 1.00 0.00 C ATOM 138 O VAL A 11 3.114 -8.271 13.504 1.00 0.00 O ATOM 139 CB VAL A 11 3.514 -8.176 16.832 1.00 0.00 C ATOM 140 CG1 VAL A 11 4.077 -9.578 16.659 1.00 0.00 C ATOM 141 CG2 VAL A 11 4.620 -7.133 16.765 1.00 0.00 C ATOM 0 H VAL A 11 1.971 -9.939 15.892 1.00 0.00 H new ATOM 0 HA VAL A 11 1.799 -7.078 16.123 1.00 0.00 H new ATOM 0 HB VAL A 11 3.056 -8.110 17.819 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.843 -9.758 17.413 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.276 -10.308 16.774 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.516 -9.674 15.666 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.374 -7.353 17.521 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.080 -7.154 15.777 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.199 -6.144 16.949 1.00 0.00 H new ATOM 151 N TYR A 12 3.620 -6.280 14.420 1.00 0.00 N ATOM 152 CA TYR A 12 4.279 -5.772 13.223 1.00 0.00 C ATOM 153 C TYR A 12 5.377 -4.777 13.584 1.00 0.00 C ATOM 154 O TYR A 12 5.098 -3.640 13.961 1.00 0.00 O ATOM 155 CB TYR A 12 3.256 -5.108 12.300 1.00 0.00 C ATOM 156 CG TYR A 12 2.127 -6.027 11.892 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.304 -6.974 10.891 1.00 0.00 C ATOM 158 CD2 TYR A 12 0.885 -5.947 12.509 1.00 0.00 C ATOM 159 CE1 TYR A 12 1.275 -7.815 10.516 1.00 0.00 C ATOM 160 CE2 TYR A 12 -0.149 -6.786 12.139 1.00 0.00 C ATOM 161 CZ TYR A 12 0.051 -7.718 11.143 1.00 0.00 C ATOM 162 OH TYR A 12 -0.976 -8.556 10.772 1.00 0.00 O ATOM 0 H TYR A 12 3.607 -5.627 15.203 1.00 0.00 H new ATOM 0 HA TYR A 12 4.737 -6.614 12.704 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.840 -4.234 12.801 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.764 -4.750 11.405 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.262 -7.054 10.398 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.725 -5.218 13.290 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.428 -8.545 9.735 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.109 -6.712 12.628 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.701 -9.086 9.995 1.00 0.00 H new ATOM 172 N SER A 13 6.628 -5.212 13.463 1.00 0.00 N ATOM 173 CA SER A 13 7.768 -4.357 13.776 1.00 0.00 C ATOM 174 C SER A 13 7.601 -2.979 13.146 1.00 0.00 C ATOM 175 O SER A 13 6.757 -2.782 12.273 1.00 0.00 O ATOM 176 CB SER A 13 9.065 -5.001 13.284 1.00 0.00 C ATOM 177 OG SER A 13 9.513 -5.998 14.185 1.00 0.00 O ATOM 0 H SER A 13 6.878 -6.150 13.151 1.00 0.00 H new ATOM 0 HA SER A 13 7.817 -4.239 14.859 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.906 -5.441 12.300 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.834 -4.237 13.171 1.00 0.00 H new ATOM 0 HG SER A 13 10.343 -6.396 13.847 1.00 0.00 H new ATOM 183 N VAL A 14 8.409 -2.028 13.597 1.00 0.00 N ATOM 184 CA VAL A 14 8.353 -0.668 13.083 1.00 0.00 C ATOM 185 C VAL A 14 8.390 -0.653 11.560 1.00 0.00 C ATOM 186 O VAL A 14 8.537 -1.697 10.924 1.00 0.00 O ATOM 187 CB VAL A 14 9.516 0.175 13.630 1.00 0.00 C ATOM 188 CG1 VAL A 14 9.676 -0.063 15.121 1.00 0.00 C ATOM 189 CG2 VAL A 14 10.806 -0.139 12.889 1.00 0.00 C ATOM 0 H VAL A 14 9.113 -2.176 14.320 1.00 0.00 H new ATOM 0 HA VAL A 14 7.410 -0.235 13.417 1.00 0.00 H new ATOM 0 HB VAL A 14 9.288 1.229 13.470 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.503 0.539 15.499 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.757 0.219 15.635 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.883 -1.118 15.301 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.615 0.469 13.293 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.049 -1.194 13.013 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.680 0.083 11.829 1.00 0.00 H new ATOM 199 N GLY A 15 8.248 0.535 10.980 1.00 0.00 N ATOM 200 CA GLY A 15 8.261 0.656 9.535 1.00 0.00 C ATOM 201 C GLY A 15 7.571 -0.512 8.863 1.00 0.00 C ATOM 202 O GLY A 15 7.929 -0.900 7.751 1.00 0.00 O ATOM 0 H GLY A 15 8.125 1.413 11.484 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.769 1.584 9.244 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.292 0.719 9.185 1.00 0.00 H new ATOM 206 N MET A 16 6.578 -1.079 9.544 1.00 0.00 N ATOM 207 CA MET A 16 5.837 -2.216 9.009 1.00 0.00 C ATOM 208 C MET A 16 4.350 -1.900 8.903 1.00 0.00 C ATOM 209 O MET A 16 3.701 -1.576 9.897 1.00 0.00 O ATOM 210 CB MET A 16 6.045 -3.448 9.893 1.00 0.00 C ATOM 211 CG MET A 16 5.725 -4.758 9.196 1.00 0.00 C ATOM 212 SD MET A 16 6.032 -6.194 10.243 1.00 0.00 S ATOM 213 CE MET A 16 6.887 -7.273 9.096 1.00 0.00 C ATOM 0 H MET A 16 6.269 -0.770 10.466 1.00 0.00 H new ATOM 0 HA MET A 16 6.217 -2.424 8.009 1.00 0.00 H new ATOM 0 HB2 MET A 16 7.081 -3.470 10.233 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.420 -3.357 10.781 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.680 -4.755 8.887 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.325 -4.839 8.290 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.018 -8.255 9.550 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.301 -7.371 8.182 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.863 -6.850 8.857 1.00 0.00 H new ATOM 223 N GLN A 17 3.815 -1.995 7.690 1.00 0.00 N ATOM 224 CA GLN A 17 2.403 -1.718 7.452 1.00 0.00 C ATOM 225 C GLN A 17 1.568 -2.990 7.558 1.00 0.00 C ATOM 226 O GLN A 17 2.099 -4.099 7.517 1.00 0.00 O ATOM 227 CB GLN A 17 2.210 -1.084 6.073 1.00 0.00 C ATOM 228 CG GLN A 17 3.376 -0.213 5.631 1.00 0.00 C ATOM 229 CD GLN A 17 3.521 -0.154 4.123 1.00 0.00 C ATOM 230 OE1 GLN A 17 2.715 -0.724 3.388 1.00 0.00 O ATOM 231 NE2 GLN A 17 4.553 0.537 3.654 1.00 0.00 N ATOM 0 H GLN A 17 4.338 -2.262 6.856 1.00 0.00 H new ATOM 0 HA GLN A 17 2.066 -1.020 8.218 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.059 -1.874 5.338 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.302 -0.481 6.084 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.238 0.796 6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.298 -0.598 6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.197 0.994 4.300 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.702 0.611 2.648 1.00 0.00 H new ATOM 240 N TRP A 18 0.257 -2.818 7.695 1.00 0.00 N ATOM 241 CA TRP A 18 -0.657 -3.949 7.808 1.00 0.00 C ATOM 242 C TRP A 18 -2.107 -3.477 7.794 1.00 0.00 C ATOM 243 O TRP A 18 -2.532 -2.716 8.663 1.00 0.00 O ATOM 244 CB TRP A 18 -0.375 -4.735 9.089 1.00 0.00 C ATOM 245 CG TRP A 18 -1.009 -4.139 10.309 1.00 0.00 C ATOM 246 CD1 TRP A 18 -2.309 -4.269 10.704 1.00 0.00 C ATOM 247 CD2 TRP A 18 -0.370 -3.318 11.292 1.00 0.00 C ATOM 248 NE1 TRP A 18 -2.517 -3.580 11.874 1.00 0.00 N ATOM 249 CE2 TRP A 18 -1.341 -2.988 12.256 1.00 0.00 C ATOM 250 CE3 TRP A 18 0.931 -2.830 11.453 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -1.052 -2.194 13.364 1.00 0.00 C ATOM 252 CZ3 TRP A 18 1.215 -2.044 12.552 1.00 0.00 C ATOM 253 CH2 TRP A 18 0.229 -1.733 13.495 1.00 0.00 C ATOM 0 H TRP A 18 -0.197 -1.905 7.730 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.497 -4.602 6.950 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.734 -5.757 8.965 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.703 -4.792 9.241 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.064 -4.831 10.174 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.402 -3.519 12.377 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.699 -3.064 10.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.812 -1.952 14.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.216 -1.662 12.686 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.485 -1.116 14.344 1.00 0.00 H new ATOM 264 N LEU A 19 -2.862 -3.934 6.799 1.00 0.00 N ATOM 265 CA LEU A 19 -4.265 -3.558 6.670 1.00 0.00 C ATOM 266 C LEU A 19 -5.096 -4.150 7.805 1.00 0.00 C ATOM 267 O LEU A 19 -4.708 -5.145 8.418 1.00 0.00 O ATOM 268 CB LEU A 19 -4.818 -4.025 5.322 1.00 0.00 C ATOM 269 CG LEU A 19 -6.318 -3.803 5.126 1.00 0.00 C ATOM 270 CD1 LEU A 19 -6.639 -2.316 5.104 1.00 0.00 C ATOM 271 CD2 LEU A 19 -6.793 -4.473 3.846 1.00 0.00 C ATOM 0 H LEU A 19 -2.526 -4.565 6.071 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.329 -2.471 6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.282 -3.506 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.606 -5.088 5.208 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.846 -4.255 5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.711 -2.177 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.335 -1.864 6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.101 -1.840 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.863 -4.305 3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.259 -4.051 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.598 -5.544 3.902 1.00 0.00 H new ATOM 283 N LYS A 20 -6.240 -3.531 8.078 1.00 0.00 N ATOM 284 CA LYS A 20 -7.126 -3.997 9.139 1.00 0.00 C ATOM 285 C LYS A 20 -8.531 -3.431 8.960 1.00 0.00 C ATOM 286 O LYS A 20 -8.832 -2.795 7.949 1.00 0.00 O ATOM 287 CB LYS A 20 -6.574 -3.595 10.507 1.00 0.00 C ATOM 288 CG LYS A 20 -5.920 -2.223 10.520 1.00 0.00 C ATOM 289 CD LYS A 20 -6.190 -1.489 11.824 1.00 0.00 C ATOM 290 CE LYS A 20 -5.062 -1.693 12.822 1.00 0.00 C ATOM 291 NZ LYS A 20 -5.069 -0.652 13.888 1.00 0.00 N ATOM 0 H LYS A 20 -6.575 -2.706 7.580 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.180 -5.084 9.082 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.385 -3.609 11.235 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.845 -4.339 10.828 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.845 -2.330 10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.295 -1.632 9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.313 -0.424 11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.127 -1.843 12.255 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.154 -2.679 13.277 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.106 -1.671 12.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.339 -0.874 14.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.872 0.278 13.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.001 -0.633 14.348 1.00 0.00 H new ATOM 305 N THR A 21 -9.389 -3.668 9.947 1.00 0.00 N ATOM 306 CA THR A 21 -10.763 -3.181 9.898 1.00 0.00 C ATOM 307 C THR A 21 -11.014 -2.136 10.979 1.00 0.00 C ATOM 308 O THR A 21 -11.318 -2.472 12.124 1.00 0.00 O ATOM 309 CB THR A 21 -11.772 -4.332 10.069 1.00 0.00 C ATOM 310 OG1 THR A 21 -11.091 -5.529 10.464 1.00 0.00 O ATOM 311 CG2 THR A 21 -12.533 -4.580 8.776 1.00 0.00 C ATOM 0 H THR A 21 -9.157 -4.194 10.790 1.00 0.00 H new ATOM 0 HA THR A 21 -10.903 -2.727 8.917 1.00 0.00 H new ATOM 0 HB THR A 21 -12.484 -4.048 10.844 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.741 -6.255 10.572 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.240 -5.397 8.921 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.075 -3.677 8.494 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.831 -4.844 7.985 1.00 0.00 H new ATOM 319 N GLN A 22 -10.886 -0.866 10.608 1.00 0.00 N ATOM 320 CA GLN A 22 -11.100 0.230 11.546 1.00 0.00 C ATOM 321 C GLN A 22 -12.588 0.446 11.800 1.00 0.00 C ATOM 322 O GLN A 22 -13.104 1.549 11.627 1.00 0.00 O ATOM 323 CB GLN A 22 -10.470 1.517 11.011 1.00 0.00 C ATOM 324 CG GLN A 22 -9.029 1.718 11.451 1.00 0.00 C ATOM 325 CD GLN A 22 -8.914 2.543 12.717 1.00 0.00 C ATOM 326 OE1 GLN A 22 -9.727 2.213 13.714 1.00 0.00 O flip ATOM 327 NE2 GLN A 22 -8.105 3.467 12.798 1.00 0.00 N flip ATOM 0 H GLN A 22 -10.635 -0.571 9.664 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.623 -0.034 12.490 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.510 1.506 9.922 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.065 2.368 11.343 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.564 0.746 11.612 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.474 2.208 10.651 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.500 3.686 12.007 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.040 4.014 13.656 1.00 0.00 H new ATOM 336 N GLY A 23 -13.273 -0.616 12.211 1.00 0.00 N ATOM 337 CA GLY A 23 -14.695 -0.521 12.482 1.00 0.00 C ATOM 338 C GLY A 23 -15.536 -1.195 11.415 1.00 0.00 C ATOM 339 O GLY A 23 -15.880 -2.371 11.536 1.00 0.00 O ATOM 0 H GLY A 23 -12.869 -1.540 12.361 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.908 -0.976 13.449 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.978 0.529 12.554 1.00 0.00 H new ATOM 343 N ASN A 24 -15.867 -0.448 10.367 1.00 0.00 N ATOM 344 CA ASN A 24 -16.672 -0.979 9.273 1.00 0.00 C ATOM 345 C ASN A 24 -16.134 -0.510 7.925 1.00 0.00 C ATOM 346 O ASN A 24 -16.899 -0.127 7.040 1.00 0.00 O ATOM 347 CB ASN A 24 -18.132 -0.548 9.431 1.00 0.00 C ATOM 348 CG ASN A 24 -19.101 -1.591 8.912 1.00 0.00 C ATOM 349 OD1 ASN A 24 -18.770 -2.194 7.775 1.00 0.00 O flip ATOM 350 ND2 ASN A 24 -20.137 -1.853 9.524 1.00 0.00 N flip ATOM 0 H ASN A 24 -15.590 0.527 10.252 1.00 0.00 H new ATOM 0 HA ASN A 24 -16.616 -2.067 9.308 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -18.339 -0.355 10.484 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -18.291 0.389 8.898 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -20.353 -1.366 10.394 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.780 -2.557 9.161 1.00 0.00 H new ATOM 357 N LYS A 25 -14.814 -0.545 7.775 1.00 0.00 N ATOM 358 CA LYS A 25 -14.174 -0.124 6.534 1.00 0.00 C ATOM 359 C LYS A 25 -12.735 -0.622 6.468 1.00 0.00 C ATOM 360 O LYS A 25 -12.266 -1.316 7.370 1.00 0.00 O ATOM 361 CB LYS A 25 -14.204 1.401 6.413 1.00 0.00 C ATOM 362 CG LYS A 25 -14.221 2.118 7.752 1.00 0.00 C ATOM 363 CD LYS A 25 -13.108 3.149 7.846 1.00 0.00 C ATOM 364 CE LYS A 25 -13.657 4.538 8.131 1.00 0.00 C ATOM 365 NZ LYS A 25 -14.112 4.676 9.542 1.00 0.00 N ATOM 0 H LYS A 25 -14.167 -0.861 8.497 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.728 -0.559 5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.333 1.729 5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.085 1.694 5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.185 2.608 7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.114 1.391 8.557 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.412 2.863 8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.545 3.164 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.888 5.282 7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.490 4.744 7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.479 5.637 9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.864 3.983 9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.311 4.505 10.183 1.00 0.00 H new ATOM 379 N GLN A 26 -12.039 -0.265 5.393 1.00 0.00 N ATOM 380 CA GLN A 26 -10.653 -0.676 5.209 1.00 0.00 C ATOM 381 C GLN A 26 -9.696 0.448 5.593 1.00 0.00 C ATOM 382 O GLN A 26 -9.728 1.531 5.007 1.00 0.00 O ATOM 383 CB GLN A 26 -10.411 -1.094 3.758 1.00 0.00 C ATOM 384 CG GLN A 26 -10.287 -2.598 3.569 1.00 0.00 C ATOM 385 CD GLN A 26 -10.818 -3.064 2.230 1.00 0.00 C ATOM 386 OE1 GLN A 26 -10.166 -3.834 1.523 1.00 0.00 O ATOM 387 NE2 GLN A 26 -12.009 -2.599 1.871 1.00 0.00 N ATOM 0 H GLN A 26 -12.413 0.308 4.637 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.464 -1.528 5.862 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.231 -0.725 3.141 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.501 -0.615 3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.240 -2.886 3.660 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.828 -3.106 4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.515 -1.963 2.487 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.418 -2.878 0.979 1.00 0.00 H new ATOM 396 N MET A 27 -8.845 0.184 6.579 1.00 0.00 N ATOM 397 CA MET A 27 -7.879 1.174 7.040 1.00 0.00 C ATOM 398 C MET A 27 -6.498 0.548 7.212 1.00 0.00 C ATOM 399 O MET A 27 -6.371 -0.574 7.703 1.00 0.00 O ATOM 400 CB MET A 27 -8.340 1.789 8.362 1.00 0.00 C ATOM 401 CG MET A 27 -9.054 3.121 8.198 1.00 0.00 C ATOM 402 SD MET A 27 -8.225 4.466 9.066 1.00 0.00 S ATOM 403 CE MET A 27 -6.703 4.586 8.129 1.00 0.00 C ATOM 0 H MET A 27 -8.805 -0.707 7.074 1.00 0.00 H new ATOM 0 HA MET A 27 -7.812 1.958 6.286 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.006 1.089 8.866 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.474 1.928 9.010 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.121 3.365 7.138 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.075 3.029 8.569 1.00 0.00 H new ATOM 0 HE1 MET A 27 -5.880 4.185 8.720 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.799 4.016 7.205 1.00 0.00 H new ATOM 0 HE3 MET A 27 -6.503 5.631 7.891 1.00 0.00 H new ATOM 413 N LEU A 28 -5.467 1.280 6.803 1.00 0.00 N ATOM 414 CA LEU A 28 -4.096 0.796 6.913 1.00 0.00 C ATOM 415 C LEU A 28 -3.486 1.188 8.254 1.00 0.00 C ATOM 416 O LEU A 28 -3.827 2.226 8.822 1.00 0.00 O ATOM 417 CB LEU A 28 -3.243 1.351 5.771 1.00 0.00 C ATOM 418 CG LEU A 28 -3.618 0.844 4.377 1.00 0.00 C ATOM 419 CD1 LEU A 28 -3.321 -0.641 4.252 1.00 0.00 C ATOM 420 CD2 LEU A 28 -5.084 1.125 4.086 1.00 0.00 C ATOM 0 H LEU A 28 -5.555 2.210 6.393 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.116 -0.292 6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.317 2.438 5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.199 1.102 5.963 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.014 1.376 3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.594 -0.984 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.258 -0.815 4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.898 -1.191 4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.334 0.758 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.705 0.620 4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.265 2.199 4.133 1.00 0.00 H new ATOM 432 N CYS A 29 -2.582 0.353 8.753 1.00 0.00 N ATOM 433 CA CYS A 29 -1.922 0.613 10.028 1.00 0.00 C ATOM 434 C CYS A 29 -0.492 0.083 10.016 1.00 0.00 C ATOM 435 O CYS A 29 -0.267 -1.119 9.877 1.00 0.00 O ATOM 436 CB CYS A 29 -2.708 -0.029 11.173 1.00 0.00 C ATOM 437 SG CYS A 29 -4.173 0.921 11.693 1.00 0.00 S ATOM 0 H CYS A 29 -2.289 -0.510 8.295 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.890 1.692 10.180 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.024 -1.026 10.868 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.046 -0.153 12.030 1.00 0.00 H new ATOM 442 N THR A 30 0.469 0.988 10.162 1.00 0.00 N ATOM 443 CA THR A 30 1.877 0.611 10.165 1.00 0.00 C ATOM 444 C THR A 30 2.529 0.923 11.505 1.00 0.00 C ATOM 445 O THR A 30 2.261 1.959 12.113 1.00 0.00 O ATOM 446 CB THR A 30 2.661 1.341 9.058 1.00 0.00 C ATOM 447 OG1 THR A 30 2.114 1.023 7.773 1.00 0.00 O ATOM 448 CG2 THR A 30 4.135 0.965 9.098 1.00 0.00 C ATOM 0 H THR A 30 0.299 1.987 10.280 1.00 0.00 H new ATOM 0 HA THR A 30 1.910 -0.463 9.982 1.00 0.00 H new ATOM 0 HB THR A 30 2.573 2.414 9.231 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.804 1.844 7.337 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.667 1.493 8.307 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.555 1.242 10.065 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.240 -0.110 8.951 1.00 0.00 H new ATOM 456 N CYS A 31 3.399 0.026 11.955 1.00 0.00 N ATOM 457 CA CYS A 31 4.101 0.214 13.216 1.00 0.00 C ATOM 458 C CYS A 31 5.315 1.109 13.010 1.00 0.00 C ATOM 459 O CYS A 31 6.147 0.849 12.142 1.00 0.00 O ATOM 460 CB CYS A 31 4.536 -1.133 13.795 1.00 0.00 C ATOM 461 SG CYS A 31 5.257 -1.024 15.464 1.00 0.00 S ATOM 0 H CYS A 31 3.634 -0.837 11.465 1.00 0.00 H new ATOM 0 HA CYS A 31 3.422 0.692 13.922 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.674 -1.799 13.826 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.266 -1.587 13.124 1.00 0.00 H new ATOM 466 N LEU A 32 5.406 2.171 13.803 1.00 0.00 N ATOM 467 CA LEU A 32 6.515 3.107 13.695 1.00 0.00 C ATOM 468 C LEU A 32 6.987 3.561 15.073 1.00 0.00 C ATOM 469 O LEU A 32 7.256 4.743 15.289 1.00 0.00 O ATOM 470 CB LEU A 32 6.099 4.317 12.857 1.00 0.00 C ATOM 471 CG LEU A 32 6.034 4.067 11.349 1.00 0.00 C ATOM 472 CD1 LEU A 32 4.690 4.511 10.793 1.00 0.00 C ATOM 473 CD2 LEU A 32 7.171 4.788 10.640 1.00 0.00 C ATOM 0 H LEU A 32 4.725 2.404 14.526 1.00 0.00 H new ATOM 0 HA LEU A 32 7.344 2.597 13.204 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.120 4.656 13.196 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.801 5.129 13.046 1.00 0.00 H new ATOM 0 HG LEU A 32 6.142 2.997 11.172 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.661 4.326 9.719 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.892 3.950 11.279 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.552 5.576 10.981 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.109 4.599 9.568 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.094 5.859 10.825 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.126 4.423 11.018 1.00 0.00 H new ATOM 485 N GLY A 33 7.086 2.614 16.000 1.00 0.00 N ATOM 486 CA GLY A 33 7.527 2.934 17.345 1.00 0.00 C ATOM 487 C GLY A 33 7.043 4.294 17.811 1.00 0.00 C ATOM 488 O GLY A 33 7.711 4.960 18.602 1.00 0.00 O ATOM 0 H GLY A 33 6.868 1.630 15.844 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.167 2.169 18.033 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.616 2.908 17.382 1.00 0.00 H new ATOM 492 N ASN A 34 5.879 4.705 17.319 1.00 0.00 N ATOM 493 CA ASN A 34 5.307 5.994 17.690 1.00 0.00 C ATOM 494 C ASN A 34 3.863 5.833 18.153 1.00 0.00 C ATOM 495 O ASN A 34 3.417 6.514 19.076 1.00 0.00 O ATOM 496 CB ASN A 34 5.370 6.963 16.508 1.00 0.00 C ATOM 497 CG ASN A 34 6.788 7.184 16.017 1.00 0.00 C ATOM 498 OD1 ASN A 34 7.038 7.246 14.813 1.00 0.00 O ATOM 499 ND2 ASN A 34 7.725 7.305 16.950 1.00 0.00 N ATOM 0 H ASN A 34 5.314 4.165 16.663 1.00 0.00 H new ATOM 0 HA ASN A 34 5.892 6.400 18.515 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.762 6.575 15.691 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.937 7.919 16.802 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.697 7.456 16.680 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.473 7.247 17.937 1.00 0.00 H new ATOM 506 N GLY A 35 3.138 4.928 17.506 1.00 0.00 N ATOM 507 CA GLY A 35 1.753 4.692 17.863 1.00 0.00 C ATOM 508 C GLY A 35 0.948 4.111 16.718 1.00 0.00 C ATOM 509 O GLY A 35 -0.219 4.457 16.532 1.00 0.00 O ATOM 0 H GLY A 35 3.486 4.353 16.739 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.712 4.012 18.714 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.299 5.630 18.183 1.00 0.00 H new ATOM 513 N VAL A 36 1.574 3.229 15.948 1.00 0.00 N ATOM 514 CA VAL A 36 0.911 2.599 14.814 1.00 0.00 C ATOM 515 C VAL A 36 0.357 3.645 13.853 1.00 0.00 C ATOM 516 O VAL A 36 -0.765 4.123 14.020 1.00 0.00 O ATOM 517 CB VAL A 36 -0.239 1.681 15.272 1.00 0.00 C ATOM 518 CG1 VAL A 36 -1.072 1.231 14.082 1.00 0.00 C ATOM 519 CG2 VAL A 36 0.303 0.483 16.037 1.00 0.00 C ATOM 0 H VAL A 36 2.540 2.934 16.089 1.00 0.00 H new ATOM 0 HA VAL A 36 1.663 1.998 14.302 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.884 2.248 15.943 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.879 0.584 14.426 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.494 2.103 13.583 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.441 0.683 13.382 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.525 -0.153 16.352 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.974 -0.086 15.394 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.849 0.829 16.915 1.00 0.00 H new ATOM 529 N SER A 37 1.151 3.997 12.846 1.00 0.00 N ATOM 530 CA SER A 37 0.737 4.989 11.860 1.00 0.00 C ATOM 531 C SER A 37 -0.284 4.399 10.892 1.00 0.00 C ATOM 532 O SER A 37 0.062 3.608 10.014 1.00 0.00 O ATOM 533 CB SER A 37 1.952 5.506 11.086 1.00 0.00 C ATOM 534 OG SER A 37 2.947 5.999 11.966 1.00 0.00 O ATOM 0 H SER A 37 2.082 3.611 12.692 1.00 0.00 H new ATOM 0 HA SER A 37 0.271 5.820 12.389 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.367 4.703 10.477 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.642 6.297 10.403 1.00 0.00 H new ATOM 0 HG SER A 37 3.229 6.891 11.674 1.00 0.00 H new ATOM 540 N CYS A 38 -1.543 4.790 11.059 1.00 0.00 N ATOM 541 CA CYS A 38 -2.617 4.301 10.201 1.00 0.00 C ATOM 542 C CYS A 38 -3.048 5.370 9.204 1.00 0.00 C ATOM 543 O CYS A 38 -2.951 6.566 9.480 1.00 0.00 O ATOM 544 CB CYS A 38 -3.814 3.864 11.048 1.00 0.00 C ATOM 545 SG CYS A 38 -3.401 2.674 12.364 1.00 0.00 S ATOM 0 H CYS A 38 -1.845 5.444 11.781 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.241 3.443 9.644 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.267 4.746 11.500 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.565 3.420 10.394 1.00 0.00 H new ATOM 550 N GLN A 39 -3.525 4.932 8.043 1.00 0.00 N ATOM 551 CA GLN A 39 -3.972 5.853 7.004 1.00 0.00 C ATOM 552 C GLN A 39 -4.919 5.159 6.031 1.00 0.00 C ATOM 553 O GLN A 39 -4.640 4.057 5.557 1.00 0.00 O ATOM 554 CB GLN A 39 -2.771 6.421 6.245 1.00 0.00 C ATOM 555 CG GLN A 39 -2.862 7.918 5.996 1.00 0.00 C ATOM 556 CD GLN A 39 -1.549 8.511 5.521 1.00 0.00 C ATOM 557 OE1 GLN A 39 -0.488 8.223 6.075 1.00 0.00 O ATOM 558 NE2 GLN A 39 -1.616 9.345 4.489 1.00 0.00 N ATOM 0 H GLN A 39 -3.612 3.946 7.798 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.509 6.670 7.486 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.862 6.209 6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.680 5.907 5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.635 8.113 5.252 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.171 8.417 6.914 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.518 9.555 4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.766 9.775 4.125 1.00 0.00 H new ATOM 567 N GLU A 40 -6.040 5.810 5.737 1.00 0.00 N ATOM 568 CA GLU A 40 -7.028 5.255 4.821 1.00 0.00 C ATOM 569 C GLU A 40 -6.557 5.375 3.376 1.00 0.00 C ATOM 570 O GLU A 40 -7.242 5.958 2.535 1.00 0.00 O ATOM 571 CB GLU A 40 -8.370 5.968 4.993 1.00 0.00 C ATOM 572 CG GLU A 40 -8.239 7.454 5.288 1.00 0.00 C ATOM 573 CD GLU A 40 -9.561 8.188 5.191 1.00 0.00 C ATOM 574 OE1 GLU A 40 -10.589 7.527 4.925 1.00 0.00 O ATOM 575 OE2 GLU A 40 -9.572 9.422 5.380 1.00 0.00 O ATOM 0 H GLU A 40 -6.286 6.723 6.120 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.153 4.198 5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.960 5.837 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.923 5.493 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.827 7.587 6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.530 7.898 4.590 1.00 0.00 H new ATOM 582 N THR A 41 -5.382 4.821 3.093 1.00 0.00 N ATOM 583 CA THR A 41 -4.819 4.867 1.749 1.00 0.00 C ATOM 584 C THR A 41 -5.910 4.753 0.691 1.00 0.00 C ATOM 585 O THR A 41 -5.807 5.338 -0.387 1.00 0.00 O ATOM 586 CB THR A 41 -3.792 3.740 1.533 1.00 0.00 C ATOM 587 OG1 THR A 41 -2.998 4.017 0.373 1.00 0.00 O ATOM 588 CG2 THR A 41 -4.487 2.398 1.369 1.00 0.00 C ATOM 0 H THR A 41 -4.802 4.335 3.777 1.00 0.00 H new ATOM 0 HA THR A 41 -4.319 5.830 1.649 1.00 0.00 H new ATOM 0 HB THR A 41 -3.148 3.692 2.411 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.346 3.297 0.243 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.741 1.618 1.218 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.067 2.177 2.265 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.152 2.436 0.506 1.00 0.00 H new ATOM 596 N ALA A 42 -6.957 3.998 1.006 1.00 0.00 N ATOM 597 CA ALA A 42 -8.068 3.807 0.082 1.00 0.00 C ATOM 598 C ALA A 42 -7.567 3.576 -1.339 1.00 0.00 C ATOM 599 O ALA A 42 -6.369 3.400 -1.565 1.00 0.00 O ATOM 600 CB ALA A 42 -9.001 5.008 0.126 1.00 0.00 C ATOM 0 H ALA A 42 -7.059 3.508 1.895 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.619 2.920 0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.827 4.853 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.394 5.127 1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.452 5.906 -0.158 1.00 0.00 H new ATOM 606 N VAL A 43 -8.491 3.578 -2.294 1.00 0.00 N ATOM 607 CA VAL A 43 -8.146 3.369 -3.692 1.00 0.00 C ATOM 608 C VAL A 43 -6.932 4.202 -4.091 1.00 0.00 C ATOM 609 O VAL A 43 -6.728 5.303 -3.582 1.00 0.00 O ATOM 610 CB VAL A 43 -9.329 3.721 -4.612 1.00 0.00 C ATOM 611 CG1 VAL A 43 -10.623 3.143 -4.061 1.00 0.00 C ATOM 612 CG2 VAL A 43 -9.443 5.227 -4.791 1.00 0.00 C ATOM 0 H VAL A 43 -9.486 3.723 -2.123 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.905 2.312 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.146 3.278 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.448 3.402 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.538 2.058 -3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.812 3.554 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.285 5.453 -5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.600 5.698 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.525 5.611 -5.236 1.00 0.00 H new ATOM 622 N THR A 44 -6.130 3.668 -5.007 1.00 0.00 N ATOM 623 CA THR A 44 -4.937 4.362 -5.475 1.00 0.00 C ATOM 624 C THR A 44 -5.256 5.801 -5.868 1.00 0.00 C ATOM 625 O THR A 44 -6.377 6.272 -5.680 1.00 0.00 O ATOM 626 CB THR A 44 -4.304 3.642 -6.681 1.00 0.00 C ATOM 627 OG1 THR A 44 -4.821 2.311 -6.784 1.00 0.00 O ATOM 628 CG2 THR A 44 -2.789 3.593 -6.547 1.00 0.00 C ATOM 0 H THR A 44 -6.285 2.757 -5.439 1.00 0.00 H new ATOM 0 HA THR A 44 -4.227 4.362 -4.648 1.00 0.00 H new ATOM 0 HB THR A 44 -4.556 4.200 -7.583 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.415 1.861 -7.554 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.364 3.080 -7.410 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.395 4.608 -6.498 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.521 3.056 -5.637 1.00 0.00 H new ATOM 636 N GLN A 45 -4.262 6.493 -6.414 1.00 0.00 N ATOM 637 CA GLN A 45 -4.437 7.880 -6.833 1.00 0.00 C ATOM 638 C GLN A 45 -4.669 7.967 -8.338 1.00 0.00 C ATOM 639 O GLN A 45 -3.937 8.654 -9.051 1.00 0.00 O ATOM 640 CB GLN A 45 -3.213 8.711 -6.446 1.00 0.00 C ATOM 641 CG GLN A 45 -3.352 9.410 -5.103 1.00 0.00 C ATOM 642 CD GLN A 45 -2.079 10.114 -4.678 1.00 0.00 C ATOM 643 OE1 GLN A 45 -2.038 11.341 -4.581 1.00 0.00 O ATOM 644 NE2 GLN A 45 -1.033 9.340 -4.420 1.00 0.00 N ATOM 0 H GLN A 45 -3.328 6.117 -6.577 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.314 8.279 -6.323 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.337 8.062 -6.420 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.033 9.459 -7.218 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.163 10.136 -5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.629 8.679 -4.344 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.112 8.327 -4.514 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.149 9.757 -4.128 1.00 0.00 H new ATOM 653 N THR A 46 -5.693 7.267 -8.816 1.00 0.00 N ATOM 654 CA THR A 46 -6.022 7.265 -10.236 1.00 0.00 C ATOM 655 C THR A 46 -5.821 8.647 -10.848 1.00 0.00 C ATOM 656 O THR A 46 -5.753 9.649 -10.135 1.00 0.00 O ATOM 657 CB THR A 46 -7.475 6.816 -10.475 1.00 0.00 C ATOM 658 OG1 THR A 46 -8.279 7.129 -9.333 1.00 0.00 O ATOM 659 CG2 THR A 46 -7.541 5.323 -10.754 1.00 0.00 C ATOM 0 H THR A 46 -6.309 6.694 -8.240 1.00 0.00 H new ATOM 0 HA THR A 46 -5.347 6.556 -10.716 1.00 0.00 H new ATOM 0 HB THR A 46 -7.858 7.349 -11.345 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.625 6.301 -8.940 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.578 5.029 -10.920 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.952 5.092 -11.642 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.141 4.775 -9.901 1.00 0.00 H new ATOM 667 N TYR A 47 -5.728 8.694 -12.173 1.00 0.00 N ATOM 668 CA TYR A 47 -5.537 9.955 -12.880 1.00 0.00 C ATOM 669 C TYR A 47 -5.570 9.742 -14.390 1.00 0.00 C ATOM 670 O TYR A 47 -5.467 8.613 -14.871 1.00 0.00 O ATOM 671 CB TYR A 47 -4.207 10.595 -12.474 1.00 0.00 C ATOM 672 CG TYR A 47 -2.996 9.782 -12.873 1.00 0.00 C ATOM 673 CD1 TYR A 47 -2.616 9.672 -14.204 1.00 0.00 C ATOM 674 CD2 TYR A 47 -2.232 9.123 -11.916 1.00 0.00 C ATOM 675 CE1 TYR A 47 -1.510 8.930 -14.573 1.00 0.00 C ATOM 676 CE2 TYR A 47 -1.125 8.380 -12.276 1.00 0.00 C ATOM 677 CZ TYR A 47 -0.769 8.286 -13.605 1.00 0.00 C ATOM 678 OH TYR A 47 0.334 7.546 -13.967 1.00 0.00 O ATOM 0 H TYR A 47 -5.782 7.875 -12.778 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.353 10.623 -12.607 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -4.136 11.584 -12.928 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.198 10.739 -11.394 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.195 10.175 -14.964 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.509 9.193 -10.874 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.228 8.855 -15.613 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.541 7.875 -11.521 1.00 0.00 H new ATOM 0 HH TYR A 47 1.148 8.061 -13.786 1.00 0.00 H new ATOM 688 N GLY A 48 -5.716 10.834 -15.134 1.00 0.00 N ATOM 689 CA GLY A 48 -5.762 10.745 -16.581 1.00 0.00 C ATOM 690 C GLY A 48 -6.917 9.897 -17.074 1.00 0.00 C ATOM 691 O GLY A 48 -7.868 9.642 -16.336 1.00 0.00 O ATOM 0 H GLY A 48 -5.803 11.779 -14.760 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.846 11.747 -17.001 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.825 10.324 -16.946 1.00 0.00 H new ATOM 695 N GLY A 49 -6.834 9.460 -18.327 1.00 0.00 N ATOM 696 CA GLY A 49 -7.888 8.641 -18.898 1.00 0.00 C ATOM 697 C GLY A 49 -9.203 9.385 -19.013 1.00 0.00 C ATOM 698 O GLY A 49 -9.239 10.612 -18.929 1.00 0.00 O ATOM 0 H GLY A 49 -6.056 9.658 -18.957 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.581 8.297 -19.886 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.029 7.754 -18.281 1.00 0.00 H new ATOM 702 N ASN A 50 -10.287 8.640 -19.206 1.00 0.00 N ATOM 703 CA ASN A 50 -11.612 9.236 -19.332 1.00 0.00 C ATOM 704 C ASN A 50 -12.240 9.463 -17.962 1.00 0.00 C ATOM 705 O ASN A 50 -13.435 9.736 -17.853 1.00 0.00 O ATOM 706 CB ASN A 50 -12.518 8.341 -20.180 1.00 0.00 C ATOM 707 CG ASN A 50 -12.304 6.867 -19.895 1.00 0.00 C ATOM 708 OD1 ASN A 50 -12.509 6.403 -18.773 1.00 0.00 O ATOM 709 ND2 ASN A 50 -11.890 6.121 -20.913 1.00 0.00 N ATOM 0 H ASN A 50 -10.274 7.623 -19.279 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.503 10.202 -19.825 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.560 8.598 -19.989 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.331 8.535 -21.236 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.730 5.122 -20.781 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.733 6.547 -21.826 1.00 0.00 H new ATOM 716 N SER A 51 -11.427 9.349 -16.917 1.00 0.00 N ATOM 717 CA SER A 51 -11.903 9.542 -15.553 1.00 0.00 C ATOM 718 C SER A 51 -11.311 10.809 -14.944 1.00 0.00 C ATOM 719 O SER A 51 -11.897 11.408 -14.042 1.00 0.00 O ATOM 720 CB SER A 51 -11.544 8.331 -14.688 1.00 0.00 C ATOM 721 OG SER A 51 -12.708 7.653 -14.250 1.00 0.00 O ATOM 0 H SER A 51 -10.435 9.124 -16.989 1.00 0.00 H new ATOM 0 HA SER A 51 -12.987 9.648 -15.585 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.914 7.648 -15.257 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.963 8.656 -13.825 1.00 0.00 H new ATOM 0 HG SER A 51 -13.218 7.344 -15.027 1.00 0.00 H new ATOM 727 N ASN A 52 -10.148 11.211 -15.443 1.00 0.00 N ATOM 728 CA ASN A 52 -9.478 12.408 -14.949 1.00 0.00 C ATOM 729 C ASN A 52 -9.013 12.218 -13.508 1.00 0.00 C ATOM 730 O ASN A 52 -8.602 13.171 -12.847 1.00 0.00 O ATOM 731 CB ASN A 52 -10.411 13.616 -15.041 1.00 0.00 C ATOM 732 CG ASN A 52 -9.838 14.845 -14.363 1.00 0.00 C ATOM 733 OD1 ASN A 52 -8.621 15.013 -14.285 1.00 0.00 O ATOM 734 ND2 ASN A 52 -10.714 15.710 -13.866 1.00 0.00 N ATOM 0 H ASN A 52 -9.650 10.726 -16.189 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.602 12.586 -15.573 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.606 13.841 -16.089 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.369 13.367 -14.585 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.387 16.554 -13.397 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.714 15.530 -13.954 1.00 0.00 H new ATOM 741 N GLY A 53 -9.082 10.981 -13.027 1.00 0.00 N ATOM 742 CA GLY A 53 -8.665 10.690 -11.668 1.00 0.00 C ATOM 743 C GLY A 53 -9.788 10.118 -10.825 1.00 0.00 C ATOM 744 O GLY A 53 -10.260 10.763 -9.888 1.00 0.00 O ATOM 0 H GLY A 53 -9.419 10.175 -13.554 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.835 9.983 -11.690 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.294 11.603 -11.202 1.00 0.00 H new ATOM 748 N GLU A 54 -10.217 8.905 -11.159 1.00 0.00 N ATOM 749 CA GLU A 54 -11.292 8.247 -10.425 1.00 0.00 C ATOM 750 C GLU A 54 -10.937 6.793 -10.128 1.00 0.00 C ATOM 751 O GLU A 54 -10.011 6.237 -10.716 1.00 0.00 O ATOM 752 CB GLU A 54 -12.596 8.313 -11.222 1.00 0.00 C ATOM 753 CG GLU A 54 -13.424 9.554 -10.933 1.00 0.00 C ATOM 754 CD GLU A 54 -14.181 10.047 -12.150 1.00 0.00 C ATOM 755 OE1 GLU A 54 -15.117 9.348 -12.591 1.00 0.00 O ATOM 756 OE2 GLU A 54 -13.838 11.134 -12.663 1.00 0.00 O ATOM 0 H GLU A 54 -9.837 8.359 -11.932 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.426 8.770 -9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.363 8.282 -12.286 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.193 7.428 -11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.132 9.336 -10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.769 10.347 -10.571 1.00 0.00 H new ATOM 763 N PRO A 55 -11.678 6.161 -9.206 1.00 0.00 N ATOM 764 CA PRO A 55 -11.446 4.765 -8.825 1.00 0.00 C ATOM 765 C PRO A 55 -11.808 3.793 -9.942 1.00 0.00 C ATOM 766 O PRO A 55 -12.690 4.069 -10.756 1.00 0.00 O ATOM 767 CB PRO A 55 -12.370 4.565 -7.622 1.00 0.00 C ATOM 768 CG PRO A 55 -13.448 5.577 -7.800 1.00 0.00 C ATOM 769 CD PRO A 55 -12.800 6.761 -8.464 1.00 0.00 C ATOM 0 HA PRO A 55 -10.395 4.571 -8.608 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.776 3.554 -7.599 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.836 4.716 -6.684 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.258 5.181 -8.413 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.882 5.857 -6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.492 7.278 -9.129 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.454 7.492 -7.734 1.00 0.00 H new ATOM 777 N CYS A 56 -11.124 2.655 -9.976 1.00 0.00 N ATOM 778 CA CYS A 56 -11.374 1.642 -10.996 1.00 0.00 C ATOM 779 C CYS A 56 -12.539 0.745 -10.598 1.00 0.00 C ATOM 780 O CYS A 56 -13.284 1.050 -9.666 1.00 0.00 O ATOM 781 CB CYS A 56 -10.120 0.797 -11.229 1.00 0.00 C ATOM 782 SG CYS A 56 -8.567 1.615 -10.740 1.00 0.00 S ATOM 0 H CYS A 56 -10.392 2.410 -9.309 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.633 2.154 -11.922 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -10.216 -0.136 -10.674 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -10.063 0.536 -12.286 1.00 0.00 H new ATOM 787 N VAL A 57 -12.691 -0.363 -11.314 1.00 0.00 N ATOM 788 CA VAL A 57 -13.767 -1.307 -11.044 1.00 0.00 C ATOM 789 C VAL A 57 -13.387 -2.711 -11.499 1.00 0.00 C ATOM 790 O VAL A 57 -13.843 -3.183 -12.540 1.00 0.00 O ATOM 791 CB VAL A 57 -15.067 -0.880 -11.749 1.00 0.00 C ATOM 792 CG1 VAL A 57 -16.275 -1.516 -11.079 1.00 0.00 C ATOM 793 CG2 VAL A 57 -15.188 0.638 -11.761 1.00 0.00 C ATOM 0 H VAL A 57 -12.081 -0.629 -12.087 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.931 -1.312 -9.966 1.00 0.00 H new ATOM 0 HB VAL A 57 -15.033 -1.229 -12.781 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.184 -1.201 -11.593 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -16.188 -2.601 -11.127 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.320 -1.202 -10.036 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.112 0.925 -12.263 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.200 1.010 -10.737 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -14.338 1.067 -12.292 1.00 0.00 H new ATOM 803 N LEU A 58 -12.543 -3.372 -10.713 1.00 0.00 N ATOM 804 CA LEU A 58 -12.095 -4.721 -11.036 1.00 0.00 C ATOM 805 C LEU A 58 -12.792 -5.756 -10.156 1.00 0.00 C ATOM 806 O LEU A 58 -13.599 -5.407 -9.296 1.00 0.00 O ATOM 807 CB LEU A 58 -10.578 -4.826 -10.867 1.00 0.00 C ATOM 808 CG LEU A 58 -9.885 -3.534 -10.426 1.00 0.00 C ATOM 809 CD1 LEU A 58 -9.815 -3.459 -8.908 1.00 0.00 C ATOM 810 CD2 LEU A 58 -8.493 -3.442 -11.031 1.00 0.00 C ATOM 0 H LEU A 58 -12.156 -2.995 -9.848 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.355 -4.926 -12.074 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.362 -5.604 -10.135 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -10.144 -5.149 -11.813 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.471 -2.688 -10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.319 -2.534 -8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.824 -3.478 -8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.251 -4.311 -8.527 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.016 -2.517 -10.707 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.896 -4.293 -10.702 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.568 -3.450 -12.118 1.00 0.00 H new ATOM 822 N PRO A 59 -12.490 -7.050 -10.364 1.00 0.00 N ATOM 823 CA PRO A 59 -11.532 -7.497 -11.383 1.00 0.00 C ATOM 824 C PRO A 59 -11.940 -7.076 -12.788 1.00 0.00 C ATOM 825 O PRO A 59 -13.092 -7.238 -13.187 1.00 0.00 O ATOM 826 CB PRO A 59 -11.555 -9.025 -11.259 1.00 0.00 C ATOM 827 CG PRO A 59 -12.089 -9.290 -9.895 1.00 0.00 C ATOM 828 CD PRO A 59 -13.060 -8.180 -9.615 1.00 0.00 C ATOM 0 HA PRO A 59 -10.546 -7.059 -11.227 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.187 -9.474 -12.025 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.557 -9.447 -11.382 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.581 -10.261 -9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.287 -9.304 -9.157 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.065 -8.426 -9.958 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.131 -7.964 -8.549 1.00 0.00 H new ATOM 836 N PHE A 60 -10.984 -6.533 -13.532 1.00 0.00 N ATOM 837 CA PHE A 60 -11.241 -6.084 -14.896 1.00 0.00 C ATOM 838 C PHE A 60 -10.428 -6.896 -15.896 1.00 0.00 C ATOM 839 O PHE A 60 -9.197 -6.895 -15.860 1.00 0.00 O ATOM 840 CB PHE A 60 -10.915 -4.597 -15.038 1.00 0.00 C ATOM 841 CG PHE A 60 -9.465 -4.321 -15.311 1.00 0.00 C ATOM 842 CD1 PHE A 60 -8.952 -4.441 -16.593 1.00 0.00 C ATOM 843 CD2 PHE A 60 -8.614 -3.941 -14.285 1.00 0.00 C ATOM 844 CE1 PHE A 60 -7.618 -4.187 -16.846 1.00 0.00 C ATOM 845 CE2 PHE A 60 -7.278 -3.685 -14.533 1.00 0.00 C ATOM 846 CZ PHE A 60 -6.780 -3.808 -15.815 1.00 0.00 C ATOM 0 H PHE A 60 -10.025 -6.393 -13.215 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.299 -6.235 -15.109 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -11.514 -4.178 -15.847 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -11.208 -4.081 -14.124 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.602 -4.736 -17.403 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.999 -3.844 -13.281 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.230 -4.285 -17.849 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.625 -3.389 -13.725 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.737 -3.608 -16.011 1.00 0.00 H new ATOM 856 N THR A 61 -11.125 -7.590 -16.789 1.00 0.00 N ATOM 857 CA THR A 61 -10.471 -8.408 -17.802 1.00 0.00 C ATOM 858 C THR A 61 -10.183 -7.598 -19.058 1.00 0.00 C ATOM 859 O THR A 61 -10.920 -6.672 -19.397 1.00 0.00 O ATOM 860 CB THR A 61 -11.330 -9.632 -18.171 1.00 0.00 C ATOM 861 OG1 THR A 61 -11.802 -10.277 -16.982 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.537 -10.624 -19.009 1.00 0.00 C ATOM 0 H THR A 61 -12.144 -7.602 -16.831 1.00 0.00 H new ATOM 0 HA THR A 61 -9.529 -8.753 -17.376 1.00 0.00 H new ATOM 0 HB THR A 61 -12.179 -9.284 -18.759 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.657 -11.243 -17.055 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.168 -11.478 -19.255 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.206 -10.141 -19.928 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.669 -10.965 -18.445 1.00 0.00 H new ATOM 870 N TYR A 62 -9.103 -7.953 -19.741 1.00 0.00 N ATOM 871 CA TYR A 62 -8.705 -7.262 -20.961 1.00 0.00 C ATOM 872 C TYR A 62 -7.924 -8.195 -21.878 1.00 0.00 C ATOM 873 O TYR A 62 -7.364 -9.196 -21.430 1.00 0.00 O ATOM 874 CB TYR A 62 -7.858 -6.035 -20.622 1.00 0.00 C ATOM 875 CG TYR A 62 -7.057 -5.509 -21.790 1.00 0.00 C ATOM 876 CD1 TYR A 62 -7.681 -4.859 -22.846 1.00 0.00 C ATOM 877 CD2 TYR A 62 -5.678 -5.660 -21.834 1.00 0.00 C ATOM 878 CE1 TYR A 62 -6.954 -4.374 -23.913 1.00 0.00 C ATOM 879 CE2 TYR A 62 -4.942 -5.177 -22.899 1.00 0.00 C ATOM 880 CZ TYR A 62 -5.585 -4.534 -23.936 1.00 0.00 C ATOM 881 OH TYR A 62 -4.855 -4.051 -24.998 1.00 0.00 O ATOM 0 H TYR A 62 -8.485 -8.718 -19.470 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.607 -6.939 -21.480 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.511 -5.243 -20.255 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.176 -6.288 -19.810 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -8.753 -4.731 -22.832 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -5.172 -6.163 -21.023 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -7.455 -3.871 -24.727 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.869 -5.302 -22.919 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.905 -4.246 -24.857 1.00 0.00 H new ATOM 891 N ASN A 63 -7.892 -7.865 -23.165 1.00 0.00 N ATOM 892 CA ASN A 63 -7.180 -8.679 -24.141 1.00 0.00 C ATOM 893 C ASN A 63 -7.661 -10.125 -24.092 1.00 0.00 C ATOM 894 O ASN A 63 -8.510 -10.535 -24.883 1.00 0.00 O ATOM 895 CB ASN A 63 -5.674 -8.621 -23.885 1.00 0.00 C ATOM 896 CG ASN A 63 -4.921 -7.940 -25.011 1.00 0.00 C ATOM 897 OD1 ASN A 63 -5.414 -7.845 -26.135 1.00 0.00 O ATOM 898 ND2 ASN A 63 -3.718 -7.461 -24.713 1.00 0.00 N ATOM 0 H ASN A 63 -8.350 -7.041 -23.555 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.386 -8.278 -25.133 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.487 -8.088 -22.953 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.291 -9.633 -23.756 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.164 -6.992 -25.430 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.349 -7.562 -23.768 1.00 0.00 H new ATOM 905 N GLY A 64 -7.114 -10.889 -23.155 1.00 0.00 N ATOM 906 CA GLY A 64 -7.500 -12.281 -23.015 1.00 0.00 C ATOM 907 C GLY A 64 -7.283 -12.808 -21.611 1.00 0.00 C ATOM 908 O GLY A 64 -7.262 -14.020 -21.393 1.00 0.00 O ATOM 0 H GLY A 64 -6.410 -10.570 -22.489 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.551 -12.391 -23.282 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.927 -12.885 -23.718 1.00 0.00 H new ATOM 912 N ARG A 65 -7.121 -11.900 -20.652 1.00 0.00 N ATOM 913 CA ARG A 65 -6.904 -12.288 -19.265 1.00 0.00 C ATOM 914 C ARG A 65 -7.732 -11.416 -18.321 1.00 0.00 C ATOM 915 O ARG A 65 -7.934 -10.228 -18.574 1.00 0.00 O ATOM 916 CB ARG A 65 -5.406 -12.199 -18.928 1.00 0.00 C ATOM 917 CG ARG A 65 -5.085 -11.404 -17.671 1.00 0.00 C ATOM 918 CD ARG A 65 -3.594 -11.133 -17.546 1.00 0.00 C ATOM 919 NE ARG A 65 -2.851 -12.328 -17.160 1.00 0.00 N ATOM 920 CZ ARG A 65 -1.690 -12.296 -16.513 1.00 0.00 C ATOM 921 NH1 ARG A 65 -1.144 -11.133 -16.184 1.00 0.00 N ATOM 922 NH2 ARG A 65 -1.074 -13.426 -16.195 1.00 0.00 N ATOM 0 H ARG A 65 -7.136 -10.893 -20.812 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.231 -13.319 -19.132 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.012 -13.209 -18.814 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.884 -11.747 -19.771 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.627 -10.458 -17.689 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.431 -11.952 -16.795 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.212 -10.760 -18.497 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.429 -10.349 -16.807 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.244 -13.238 -17.400 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.615 -10.262 -16.427 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.253 -11.110 -15.688 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.491 -14.322 -16.447 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.183 -13.399 -15.699 1.00 0.00 H new ATOM 936 N THR A 66 -8.200 -12.014 -17.229 1.00 0.00 N ATOM 937 CA THR A 66 -8.998 -11.293 -16.244 1.00 0.00 C ATOM 938 C THR A 66 -8.104 -10.679 -15.171 1.00 0.00 C ATOM 939 O THR A 66 -7.709 -11.353 -14.219 1.00 0.00 O ATOM 940 CB THR A 66 -10.031 -12.215 -15.570 1.00 0.00 C ATOM 941 OG1 THR A 66 -11.058 -12.568 -16.505 1.00 0.00 O ATOM 942 CG2 THR A 66 -10.655 -11.536 -14.358 1.00 0.00 C ATOM 0 H THR A 66 -8.040 -12.996 -17.005 1.00 0.00 H new ATOM 0 HA THR A 66 -9.527 -10.503 -16.777 1.00 0.00 H new ATOM 0 HB THR A 66 -9.516 -13.117 -15.238 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.710 -13.155 -16.068 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.381 -12.207 -13.899 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.876 -11.295 -13.635 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.155 -10.620 -14.672 1.00 0.00 H new ATOM 950 N PHE A 67 -7.785 -9.400 -15.334 1.00 0.00 N ATOM 951 CA PHE A 67 -6.931 -8.698 -14.382 1.00 0.00 C ATOM 952 C PHE A 67 -7.730 -8.224 -13.173 1.00 0.00 C ATOM 953 O PHE A 67 -8.720 -7.506 -13.312 1.00 0.00 O ATOM 954 CB PHE A 67 -6.253 -7.506 -15.059 1.00 0.00 C ATOM 955 CG PHE A 67 -5.745 -7.811 -16.439 1.00 0.00 C ATOM 956 CD1 PHE A 67 -6.610 -7.827 -17.521 1.00 0.00 C ATOM 957 CD2 PHE A 67 -4.404 -8.086 -16.654 1.00 0.00 C ATOM 958 CE1 PHE A 67 -6.148 -8.112 -18.792 1.00 0.00 C ATOM 959 CE2 PHE A 67 -3.935 -8.371 -17.923 1.00 0.00 C ATOM 960 CZ PHE A 67 -4.809 -8.384 -18.993 1.00 0.00 C ATOM 0 H PHE A 67 -8.104 -8.828 -16.116 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.168 -9.396 -14.036 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.961 -6.679 -15.115 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.421 -7.171 -14.440 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -7.658 -7.614 -17.369 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.717 -8.078 -15.821 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.833 -8.122 -19.627 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.887 -8.583 -18.078 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.446 -8.607 -19.985 1.00 0.00 H new ATOM 970 N TYR A 68 -7.289 -8.629 -11.986 1.00 0.00 N ATOM 971 CA TYR A 68 -7.958 -8.245 -10.749 1.00 0.00 C ATOM 972 C TYR A 68 -7.486 -6.872 -10.285 1.00 0.00 C ATOM 973 O TYR A 68 -8.128 -6.232 -9.452 1.00 0.00 O ATOM 974 CB TYR A 68 -7.696 -9.284 -9.658 1.00 0.00 C ATOM 975 CG TYR A 68 -8.666 -10.444 -9.679 1.00 0.00 C ATOM 976 CD1 TYR A 68 -8.873 -11.180 -10.840 1.00 0.00 C ATOM 977 CD2 TYR A 68 -9.373 -10.804 -8.539 1.00 0.00 C ATOM 978 CE1 TYR A 68 -9.758 -12.240 -10.864 1.00 0.00 C ATOM 979 CE2 TYR A 68 -10.260 -11.864 -8.555 1.00 0.00 C ATOM 980 CZ TYR A 68 -10.449 -12.579 -9.719 1.00 0.00 C ATOM 981 OH TYR A 68 -11.331 -13.635 -9.738 1.00 0.00 O ATOM 0 H TYR A 68 -6.471 -9.223 -11.855 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.030 -8.197 -10.942 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.682 -9.668 -9.770 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.747 -8.797 -8.684 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.333 -10.919 -11.738 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.227 -10.247 -7.625 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -9.908 -12.801 -11.775 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.802 -12.131 -7.660 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.733 -13.741 -8.851 1.00 0.00 H new ATOM 991 N SER A 69 -6.360 -6.425 -10.832 1.00 0.00 N ATOM 992 CA SER A 69 -5.799 -5.127 -10.478 1.00 0.00 C ATOM 993 C SER A 69 -5.242 -4.421 -11.710 1.00 0.00 C ATOM 994 O SER A 69 -5.434 -4.878 -12.837 1.00 0.00 O ATOM 995 CB SER A 69 -4.696 -5.293 -9.430 1.00 0.00 C ATOM 996 OG SER A 69 -3.664 -6.140 -9.905 1.00 0.00 O ATOM 0 H SER A 69 -5.818 -6.944 -11.523 1.00 0.00 H new ATOM 0 HA SER A 69 -6.599 -4.515 -10.061 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.282 -4.317 -9.176 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.119 -5.708 -8.515 1.00 0.00 H new ATOM 0 HG SER A 69 -2.971 -6.228 -9.218 1.00 0.00 H new ATOM 1002 N CYS A 70 -4.554 -3.306 -11.488 1.00 0.00 N ATOM 1003 CA CYS A 70 -3.971 -2.539 -12.582 1.00 0.00 C ATOM 1004 C CYS A 70 -3.115 -3.429 -13.479 1.00 0.00 C ATOM 1005 O CYS A 70 -2.691 -4.511 -13.073 1.00 0.00 O ATOM 1006 CB CYS A 70 -3.125 -1.388 -12.032 1.00 0.00 C ATOM 1007 SG CYS A 70 -4.064 -0.187 -11.035 1.00 0.00 S ATOM 0 H CYS A 70 -4.387 -2.914 -10.561 1.00 0.00 H new ATOM 0 HA CYS A 70 -4.787 -2.131 -13.179 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.321 -1.801 -11.422 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.656 -0.865 -12.866 1.00 0.00 H new ATOM 1012 N THR A 71 -2.866 -2.965 -14.699 1.00 0.00 N ATOM 1013 CA THR A 71 -2.061 -3.718 -15.654 1.00 0.00 C ATOM 1014 C THR A 71 -1.519 -2.809 -16.752 1.00 0.00 C ATOM 1015 O THR A 71 -2.251 -1.995 -17.315 1.00 0.00 O ATOM 1016 CB THR A 71 -2.873 -4.856 -16.301 1.00 0.00 C ATOM 1017 OG1 THR A 71 -1.994 -5.761 -16.981 1.00 0.00 O ATOM 1018 CG2 THR A 71 -3.893 -4.300 -17.284 1.00 0.00 C ATOM 0 H THR A 71 -3.210 -2.071 -15.050 1.00 0.00 H new ATOM 0 HA THR A 71 -1.229 -4.148 -15.096 1.00 0.00 H new ATOM 0 HB THR A 71 -3.403 -5.389 -15.511 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.481 -6.580 -17.210 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.455 -5.121 -17.729 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.578 -3.634 -16.760 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.378 -3.746 -18.069 1.00 0.00 H new ATOM 1026 N THR A 72 -0.234 -2.956 -17.054 1.00 0.00 N ATOM 1027 CA THR A 72 0.406 -2.148 -18.085 1.00 0.00 C ATOM 1028 C THR A 72 0.007 -2.621 -19.480 1.00 0.00 C ATOM 1029 O THR A 72 0.238 -1.928 -20.470 1.00 0.00 O ATOM 1030 CB THR A 72 1.941 -2.192 -17.963 1.00 0.00 C ATOM 1031 OG1 THR A 72 2.370 -3.521 -17.644 1.00 0.00 O ATOM 1032 CG2 THR A 72 2.427 -1.227 -16.893 1.00 0.00 C ATOM 0 H THR A 72 0.385 -3.627 -16.599 1.00 0.00 H new ATOM 0 HA THR A 72 0.066 -1.123 -17.938 1.00 0.00 H new ATOM 0 HB THR A 72 2.368 -1.893 -18.920 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.347 -3.540 -17.570 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.514 -1.276 -16.825 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.125 -0.213 -17.154 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.991 -1.500 -15.932 1.00 0.00 H new ATOM 1040 N GLU A 73 -0.591 -3.806 -19.548 1.00 0.00 N ATOM 1041 CA GLU A 73 -1.022 -4.372 -20.821 1.00 0.00 C ATOM 1042 C GLU A 73 -1.527 -3.283 -21.760 1.00 0.00 C ATOM 1043 O GLU A 73 -2.547 -2.647 -21.498 1.00 0.00 O ATOM 1044 CB GLU A 73 -2.119 -5.415 -20.595 1.00 0.00 C ATOM 1045 CG GLU A 73 -1.594 -6.758 -20.115 1.00 0.00 C ATOM 1046 CD GLU A 73 -0.318 -6.632 -19.306 1.00 0.00 C ATOM 1047 OE1 GLU A 73 0.700 -6.178 -19.870 1.00 0.00 O ATOM 1048 OE2 GLU A 73 -0.337 -6.989 -18.109 1.00 0.00 O ATOM 0 H GLU A 73 -0.788 -4.393 -18.737 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.161 -4.854 -21.284 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.829 -5.030 -19.863 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.667 -5.561 -21.526 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.357 -7.246 -19.509 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.411 -7.401 -20.976 1.00 0.00 H new ATOM 1055 N GLY A 74 -0.804 -3.071 -22.857 1.00 0.00 N ATOM 1056 CA GLY A 74 -1.195 -2.057 -23.818 1.00 0.00 C ATOM 1057 C GLY A 74 -0.500 -0.732 -23.577 1.00 0.00 C ATOM 1058 O GLY A 74 -0.038 -0.086 -24.517 1.00 0.00 O ATOM 0 H GLY A 74 0.045 -3.584 -23.096 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.965 -2.407 -24.824 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.274 -1.912 -23.770 1.00 0.00 H new ATOM 1062 N ARG A 75 -0.425 -0.327 -22.313 1.00 0.00 N ATOM 1063 CA ARG A 75 0.219 0.931 -21.951 1.00 0.00 C ATOM 1064 C ARG A 75 1.737 0.807 -22.031 1.00 0.00 C ATOM 1065 O ARG A 75 2.301 -0.245 -21.727 1.00 0.00 O ATOM 1066 CB ARG A 75 -0.197 1.354 -20.541 1.00 0.00 C ATOM 1067 CG ARG A 75 -1.621 1.876 -20.458 1.00 0.00 C ATOM 1068 CD ARG A 75 -1.793 3.161 -21.251 1.00 0.00 C ATOM 1069 NE ARG A 75 -1.186 4.305 -20.577 1.00 0.00 N ATOM 1070 CZ ARG A 75 -1.589 5.560 -20.751 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -2.592 5.828 -21.575 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -0.987 6.547 -20.102 1.00 0.00 N ATOM 0 H ARG A 75 -0.802 -0.851 -21.523 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.103 1.693 -22.661 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.091 0.502 -19.869 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.485 2.126 -20.186 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.309 1.120 -20.836 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.884 2.053 -19.415 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.344 3.041 -22.237 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.855 3.353 -21.405 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.410 4.132 -19.938 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.056 5.071 -22.077 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.900 6.791 -21.707 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.214 6.344 -19.468 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.297 7.509 -20.236 1.00 0.00 H new ATOM 1086 N GLN A 76 2.394 1.887 -22.440 1.00 0.00 N ATOM 1087 CA GLN A 76 3.847 1.899 -22.559 1.00 0.00 C ATOM 1088 C GLN A 76 4.423 3.220 -22.061 1.00 0.00 C ATOM 1089 O GLN A 76 5.423 3.710 -22.587 1.00 0.00 O ATOM 1090 CB GLN A 76 4.262 1.663 -24.012 1.00 0.00 C ATOM 1091 CG GLN A 76 5.102 0.412 -24.210 1.00 0.00 C ATOM 1092 CD GLN A 76 6.456 0.709 -24.824 1.00 0.00 C ATOM 1093 OE1 GLN A 76 7.492 0.304 -24.298 1.00 0.00 O ATOM 1094 NE2 GLN A 76 6.454 1.423 -25.945 1.00 0.00 N ATOM 0 H GLN A 76 1.943 2.766 -22.695 1.00 0.00 H new ATOM 0 HA GLN A 76 4.244 1.095 -21.940 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.367 1.591 -24.629 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.824 2.527 -24.365 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.244 -0.082 -23.249 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.562 -0.286 -24.850 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.571 1.739 -26.347 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.335 1.655 -26.403 1.00 0.00 H new ATOM 1103 N ASP A 77 3.787 3.791 -21.043 1.00 0.00 N ATOM 1104 CA ASP A 77 4.236 5.056 -20.474 1.00 0.00 C ATOM 1105 C ASP A 77 4.853 4.843 -19.095 1.00 0.00 C ATOM 1106 O ASP A 77 5.483 5.744 -18.541 1.00 0.00 O ATOM 1107 CB ASP A 77 3.070 6.040 -20.377 1.00 0.00 C ATOM 1108 CG ASP A 77 1.729 5.339 -20.279 1.00 0.00 C ATOM 1109 OD1 ASP A 77 1.471 4.693 -19.241 1.00 0.00 O ATOM 1110 OD2 ASP A 77 0.936 5.435 -21.240 1.00 0.00 O ATOM 0 H ASP A 77 2.959 3.397 -20.595 1.00 0.00 H new ATOM 0 HA ASP A 77 4.998 5.472 -21.134 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.208 6.678 -19.504 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.074 6.691 -21.251 1.00 0.00 H new ATOM 1115 N GLY A 78 4.667 3.647 -18.547 1.00 0.00 N ATOM 1116 CA GLY A 78 5.210 3.338 -17.237 1.00 0.00 C ATOM 1117 C GLY A 78 4.144 2.884 -16.259 1.00 0.00 C ATOM 1118 O GLY A 78 4.113 1.719 -15.863 1.00 0.00 O ATOM 0 H GLY A 78 4.150 2.886 -18.987 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.965 2.558 -17.335 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.713 4.219 -16.838 1.00 0.00 H new ATOM 1122 N HIS A 79 3.270 3.805 -15.870 1.00 0.00 N ATOM 1123 CA HIS A 79 2.197 3.493 -14.933 1.00 0.00 C ATOM 1124 C HIS A 79 1.218 2.493 -15.540 1.00 0.00 C ATOM 1125 O HIS A 79 1.181 2.304 -16.756 1.00 0.00 O ATOM 1126 CB HIS A 79 1.455 4.769 -14.531 1.00 0.00 C ATOM 1127 CG HIS A 79 2.216 5.623 -13.565 1.00 0.00 C ATOM 1128 ND1 HIS A 79 2.686 6.881 -13.880 1.00 0.00 N ATOM 1129 CD2 HIS A 79 2.587 5.396 -12.282 1.00 0.00 C ATOM 1130 CE1 HIS A 79 3.314 7.389 -12.835 1.00 0.00 C ATOM 1131 NE2 HIS A 79 3.267 6.509 -11.853 1.00 0.00 N ATOM 0 H HIS A 79 3.283 4.774 -16.189 1.00 0.00 H new ATOM 0 HA HIS A 79 2.643 3.045 -14.045 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.239 5.352 -15.427 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.497 4.498 -14.088 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.386 4.506 -11.705 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.786 8.360 -12.792 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.671 6.635 -10.925 1.00 0.00 H new ATOM 1140 N LEU A 80 0.427 1.853 -14.686 1.00 0.00 N ATOM 1141 CA LEU A 80 -0.552 0.872 -15.138 1.00 0.00 C ATOM 1142 C LEU A 80 -1.951 1.479 -15.183 1.00 0.00 C ATOM 1143 O LEU A 80 -2.249 2.430 -14.461 1.00 0.00 O ATOM 1144 CB LEU A 80 -0.543 -0.350 -14.218 1.00 0.00 C ATOM 1145 CG LEU A 80 0.845 -0.902 -13.889 1.00 0.00 C ATOM 1146 CD1 LEU A 80 1.639 0.104 -13.070 1.00 0.00 C ATOM 1147 CD2 LEU A 80 0.732 -2.227 -13.150 1.00 0.00 C ATOM 0 H LEU A 80 0.445 1.996 -13.676 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.278 0.561 -16.146 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.043 -0.088 -13.286 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.131 -1.141 -14.684 1.00 0.00 H new ATOM 0 HG LEU A 80 1.376 -1.077 -14.824 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.624 -0.306 -12.845 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.751 1.028 -13.638 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.112 0.312 -12.139 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.730 -2.604 -12.925 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.181 -2.080 -12.221 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.204 -2.948 -13.774 1.00 0.00 H new ATOM 1159 N TRP A 81 -2.804 0.922 -16.036 1.00 0.00 N ATOM 1160 CA TRP A 81 -4.172 1.408 -16.176 1.00 0.00 C ATOM 1161 C TRP A 81 -5.161 0.440 -15.536 1.00 0.00 C ATOM 1162 O TRP A 81 -4.836 -0.720 -15.286 1.00 0.00 O ATOM 1163 CB TRP A 81 -4.516 1.608 -17.653 1.00 0.00 C ATOM 1164 CG TRP A 81 -4.220 0.409 -18.501 1.00 0.00 C ATOM 1165 CD1 TRP A 81 -2.989 -0.053 -18.866 1.00 0.00 C ATOM 1166 CD2 TRP A 81 -5.175 -0.479 -19.092 1.00 0.00 C ATOM 1167 NE1 TRP A 81 -3.119 -1.175 -19.648 1.00 0.00 N ATOM 1168 CE2 TRP A 81 -4.452 -1.457 -19.802 1.00 0.00 C ATOM 1169 CE3 TRP A 81 -6.571 -0.544 -19.090 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 -5.079 -2.485 -20.501 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 -7.192 -1.565 -19.784 1.00 0.00 C ATOM 1172 CH2 TRP A 81 -6.445 -2.523 -20.481 1.00 0.00 C ATOM 0 H TRP A 81 -2.572 0.134 -16.641 1.00 0.00 H new ATOM 0 HA TRP A 81 -4.246 2.366 -15.661 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -5.574 1.854 -17.742 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -3.957 2.462 -18.036 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.050 0.398 -18.582 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -2.349 -1.711 -20.049 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -7.154 0.191 -18.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -4.507 -3.226 -21.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -8.270 -1.625 -19.789 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -6.960 -3.309 -21.014 1.00 0.00 H new ATOM 1183 N CYS A 82 -6.370 0.925 -15.272 1.00 0.00 N ATOM 1184 CA CYS A 82 -7.406 0.102 -14.659 1.00 0.00 C ATOM 1185 C CYS A 82 -8.790 0.516 -15.146 1.00 0.00 C ATOM 1186 O CYS A 82 -9.083 1.705 -15.278 1.00 0.00 O ATOM 1187 CB CYS A 82 -7.337 0.210 -13.135 1.00 0.00 C ATOM 1188 SG CYS A 82 -7.592 1.899 -12.498 1.00 0.00 S ATOM 0 H CYS A 82 -6.656 1.883 -15.473 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.232 -0.933 -14.952 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -8.089 -0.448 -12.700 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -6.365 -0.151 -12.799 1.00 0.00 H new ATOM 1193 N SER A 83 -9.640 -0.472 -15.407 1.00 0.00 N ATOM 1194 CA SER A 83 -10.996 -0.210 -15.875 1.00 0.00 C ATOM 1195 C SER A 83 -11.789 0.557 -14.822 1.00 0.00 C ATOM 1196 O SER A 83 -11.648 0.311 -13.625 1.00 0.00 O ATOM 1197 CB SER A 83 -11.704 -1.522 -16.213 1.00 0.00 C ATOM 1198 OG SER A 83 -10.811 -2.444 -16.813 1.00 0.00 O ATOM 0 H SER A 83 -9.414 -1.461 -15.302 1.00 0.00 H new ATOM 0 HA SER A 83 -10.935 0.400 -16.776 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.124 -1.956 -15.306 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.537 -1.326 -16.888 1.00 0.00 H new ATOM 0 HG SER A 83 -10.192 -2.788 -16.136 1.00 0.00 H new ATOM 1204 N THR A 84 -12.622 1.487 -15.276 1.00 0.00 N ATOM 1205 CA THR A 84 -13.433 2.291 -14.370 1.00 0.00 C ATOM 1206 C THR A 84 -14.869 1.781 -14.310 1.00 0.00 C ATOM 1207 O THR A 84 -15.759 2.467 -13.806 1.00 0.00 O ATOM 1208 CB THR A 84 -13.444 3.772 -14.788 1.00 0.00 C ATOM 1209 OG1 THR A 84 -13.433 3.878 -16.217 1.00 0.00 O ATOM 1210 CG2 THR A 84 -12.241 4.504 -14.212 1.00 0.00 C ATOM 0 H THR A 84 -12.753 1.702 -16.264 1.00 0.00 H new ATOM 0 HA THR A 84 -12.979 2.203 -13.383 1.00 0.00 H new ATOM 0 HB THR A 84 -14.352 4.231 -14.397 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.080 4.754 -16.477 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.269 5.549 -14.520 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.266 4.446 -13.124 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.324 4.042 -14.579 1.00 0.00 H new ATOM 1218 N THR A 85 -15.089 0.575 -14.824 1.00 0.00 N ATOM 1219 CA THR A 85 -16.420 -0.020 -14.824 1.00 0.00 C ATOM 1220 C THR A 85 -16.350 -1.530 -15.020 1.00 0.00 C ATOM 1221 O THR A 85 -15.611 -2.019 -15.874 1.00 0.00 O ATOM 1222 CB THR A 85 -17.306 0.587 -15.927 1.00 0.00 C ATOM 1223 OG1 THR A 85 -16.538 0.789 -17.119 1.00 0.00 O ATOM 1224 CG2 THR A 85 -17.902 1.909 -15.472 1.00 0.00 C ATOM 0 H THR A 85 -14.365 -0.008 -15.245 1.00 0.00 H new ATOM 0 HA THR A 85 -16.861 0.197 -13.851 1.00 0.00 H new ATOM 0 HB THR A 85 -18.119 -0.109 -16.134 1.00 0.00 H new ATOM 0 HG1 THR A 85 -16.649 0.018 -17.714 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.524 2.320 -16.267 1.00 0.00 H new ATOM 0 HG22 THR A 85 -18.510 1.747 -14.582 1.00 0.00 H new ATOM 0 HG23 THR A 85 -17.100 2.609 -15.240 1.00 0.00 H new ATOM 1232 N SER A 86 -17.125 -2.263 -14.224 1.00 0.00 N ATOM 1233 CA SER A 86 -17.151 -3.718 -14.315 1.00 0.00 C ATOM 1234 C SER A 86 -17.021 -4.161 -15.768 1.00 0.00 C ATOM 1235 O SER A 86 -16.379 -5.168 -16.069 1.00 0.00 O ATOM 1236 CB SER A 86 -18.445 -4.266 -13.714 1.00 0.00 C ATOM 1237 OG SER A 86 -19.428 -4.470 -14.714 1.00 0.00 O ATOM 0 H SER A 86 -17.741 -1.873 -13.511 1.00 0.00 H new ATOM 0 HA SER A 86 -16.307 -4.114 -13.750 1.00 0.00 H new ATOM 0 HB2 SER A 86 -18.242 -5.207 -13.203 1.00 0.00 H new ATOM 0 HB3 SER A 86 -18.824 -3.571 -12.964 1.00 0.00 H new ATOM 0 HG SER A 86 -19.023 -4.923 -15.483 1.00 0.00 H new ATOM 1243 N ASN A 87 -17.625 -3.389 -16.665 1.00 0.00 N ATOM 1244 CA ASN A 87 -17.573 -3.683 -18.091 1.00 0.00 C ATOM 1245 C ASN A 87 -16.559 -2.776 -18.777 1.00 0.00 C ATOM 1246 O ASN A 87 -16.925 -1.840 -19.487 1.00 0.00 O ATOM 1247 CB ASN A 87 -18.955 -3.502 -18.724 1.00 0.00 C ATOM 1248 CG ASN A 87 -20.074 -3.571 -17.705 1.00 0.00 C ATOM 1249 OD1 ASN A 87 -20.169 -4.526 -16.933 1.00 0.00 O ATOM 1250 ND2 ASN A 87 -20.931 -2.557 -17.696 1.00 0.00 N ATOM 0 H ASN A 87 -18.158 -2.552 -16.428 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.264 -4.720 -18.221 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -18.993 -2.541 -19.236 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -19.108 -4.272 -19.480 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -21.705 -2.549 -17.032 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -20.815 -1.786 -18.353 1.00 0.00 H new ATOM 1257 N TYR A 88 -15.280 -3.057 -18.549 1.00 0.00 N ATOM 1258 CA TYR A 88 -14.203 -2.262 -19.129 1.00 0.00 C ATOM 1259 C TYR A 88 -14.461 -1.970 -20.604 1.00 0.00 C ATOM 1260 O TYR A 88 -15.091 -0.970 -20.947 1.00 0.00 O ATOM 1261 CB TYR A 88 -12.866 -2.987 -18.971 1.00 0.00 C ATOM 1262 CG TYR A 88 -11.784 -2.462 -19.886 1.00 0.00 C ATOM 1263 CD1 TYR A 88 -11.792 -1.140 -20.314 1.00 0.00 C ATOM 1264 CD2 TYR A 88 -10.756 -3.288 -20.322 1.00 0.00 C ATOM 1265 CE1 TYR A 88 -10.804 -0.656 -21.149 1.00 0.00 C ATOM 1266 CE2 TYR A 88 -9.764 -2.809 -21.159 1.00 0.00 C ATOM 1267 CZ TYR A 88 -9.794 -1.493 -21.570 1.00 0.00 C ATOM 1268 OH TYR A 88 -8.808 -1.014 -22.402 1.00 0.00 O ATOM 0 H TYR A 88 -14.963 -3.831 -17.965 1.00 0.00 H new ATOM 0 HA TYR A 88 -14.165 -1.313 -18.595 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -12.532 -2.896 -17.937 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -13.012 -4.049 -19.167 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -12.583 -0.481 -19.989 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.731 -4.319 -20.003 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.823 0.375 -21.471 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.970 -3.463 -21.489 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.950 -1.015 -21.928 1.00 0.00 H new ATOM 1278 N GLU A 89 -13.960 -2.842 -21.472 1.00 0.00 N ATOM 1279 CA GLU A 89 -14.127 -2.670 -22.908 1.00 0.00 C ATOM 1280 C GLU A 89 -15.563 -2.280 -23.251 1.00 0.00 C ATOM 1281 O GLU A 89 -15.815 -1.654 -24.280 1.00 0.00 O ATOM 1282 CB GLU A 89 -13.746 -3.955 -23.645 1.00 0.00 C ATOM 1283 CG GLU A 89 -13.887 -5.209 -22.797 1.00 0.00 C ATOM 1284 CD GLU A 89 -14.269 -6.426 -23.616 1.00 0.00 C ATOM 1285 OE1 GLU A 89 -13.366 -7.043 -24.220 1.00 0.00 O ATOM 1286 OE2 GLU A 89 -15.472 -6.763 -23.653 1.00 0.00 O ATOM 0 H GLU A 89 -13.435 -3.675 -21.205 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.466 -1.865 -23.229 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.372 -4.054 -24.532 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.715 -3.874 -23.990 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.946 -5.403 -22.282 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.642 -5.041 -22.029 1.00 0.00 H new ATOM 1293 N GLN A 90 -16.496 -2.653 -22.383 1.00 0.00 N ATOM 1294 CA GLN A 90 -17.904 -2.338 -22.597 1.00 0.00 C ATOM 1295 C GLN A 90 -18.152 -0.839 -22.470 1.00 0.00 C ATOM 1296 O GLN A 90 -18.548 -0.181 -23.431 1.00 0.00 O ATOM 1297 CB GLN A 90 -18.776 -3.099 -21.597 1.00 0.00 C ATOM 1298 CG GLN A 90 -19.719 -4.098 -22.248 1.00 0.00 C ATOM 1299 CD GLN A 90 -21.155 -3.612 -22.275 1.00 0.00 C ATOM 1300 OE1 GLN A 90 -21.432 -2.445 -22.002 1.00 0.00 O ATOM 1301 NE2 GLN A 90 -22.076 -4.509 -22.606 1.00 0.00 N ATOM 0 H GLN A 90 -16.304 -3.173 -21.526 1.00 0.00 H new ATOM 0 HA GLN A 90 -18.170 -2.646 -23.608 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -18.132 -3.626 -20.893 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -19.361 -2.383 -21.019 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -19.387 -4.295 -23.267 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -19.669 -5.044 -21.708 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -21.800 -5.466 -22.825 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -23.059 -4.241 -22.642 1.00 0.00 H new ATOM 1310 N ASP A 91 -17.914 -0.304 -21.276 1.00 0.00 N ATOM 1311 CA ASP A 91 -18.111 1.119 -21.024 1.00 0.00 C ATOM 1312 C ASP A 91 -16.971 1.938 -21.620 1.00 0.00 C ATOM 1313 O ASP A 91 -17.076 3.156 -21.762 1.00 0.00 O ATOM 1314 CB ASP A 91 -18.213 1.383 -19.521 1.00 0.00 C ATOM 1315 CG ASP A 91 -18.937 2.679 -19.209 1.00 0.00 C ATOM 1316 OD1 ASP A 91 -18.977 3.563 -20.090 1.00 0.00 O ATOM 1317 OD2 ASP A 91 -19.463 2.809 -18.084 1.00 0.00 O ATOM 0 H ASP A 91 -17.585 -0.834 -20.469 1.00 0.00 H new ATOM 0 HA ASP A 91 -19.042 1.423 -21.502 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -18.736 0.554 -19.044 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -17.211 1.417 -19.092 1.00 0.00 H new ATOM 1322 N GLN A 92 -15.882 1.260 -21.968 1.00 0.00 N ATOM 1323 CA GLN A 92 -14.720 1.925 -22.549 1.00 0.00 C ATOM 1324 C GLN A 92 -14.136 2.947 -21.580 1.00 0.00 C ATOM 1325 O GLN A 92 -13.484 3.906 -21.993 1.00 0.00 O ATOM 1326 CB GLN A 92 -15.103 2.609 -23.863 1.00 0.00 C ATOM 1327 CG GLN A 92 -13.965 2.674 -24.869 1.00 0.00 C ATOM 1328 CD GLN A 92 -12.607 2.796 -24.206 1.00 0.00 C ATOM 1329 OE1 GLN A 92 -12.053 1.667 -23.780 1.00 0.00 O flip ATOM 1330 NE2 GLN A 92 -12.062 3.893 -24.078 1.00 0.00 N flip ATOM 0 H GLN A 92 -15.779 0.251 -21.858 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.961 1.168 -22.749 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -15.942 2.075 -24.310 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -15.446 3.621 -23.649 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.983 1.779 -25.490 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.119 3.525 -25.532 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.524 4.735 -24.420 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -11.148 3.959 -23.630 1.00 0.00 H new ATOM 1339 N LYS A 93 -14.375 2.736 -20.291 1.00 0.00 N ATOM 1340 CA LYS A 93 -13.872 3.640 -19.262 1.00 0.00 C ATOM 1341 C LYS A 93 -12.687 3.022 -18.526 1.00 0.00 C ATOM 1342 O LYS A 93 -12.709 1.842 -18.175 1.00 0.00 O ATOM 1343 CB LYS A 93 -14.983 3.982 -18.267 1.00 0.00 C ATOM 1344 CG LYS A 93 -16.320 4.282 -18.927 1.00 0.00 C ATOM 1345 CD LYS A 93 -16.527 5.777 -19.112 1.00 0.00 C ATOM 1346 CE LYS A 93 -18.001 6.145 -19.066 1.00 0.00 C ATOM 1347 NZ LYS A 93 -18.215 7.606 -19.247 1.00 0.00 N ATOM 0 H LYS A 93 -14.914 1.947 -19.933 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.536 4.555 -19.750 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.108 3.150 -17.574 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.677 4.845 -17.676 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -16.369 3.784 -19.896 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -17.127 3.874 -18.318 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -15.991 6.319 -18.333 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -16.103 6.089 -20.066 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -18.535 5.601 -19.845 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -18.424 5.832 -18.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.233 7.815 -19.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -17.727 8.125 -18.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -17.835 7.901 -20.169 1.00 0.00 H new ATOM 1361 N TYR A 94 -11.654 3.826 -18.298 1.00 0.00 N ATOM 1362 CA TYR A 94 -10.460 3.359 -17.604 1.00 0.00 C ATOM 1363 C TYR A 94 -9.802 4.493 -16.826 1.00 0.00 C ATOM 1364 O TYR A 94 -10.274 5.630 -16.849 1.00 0.00 O ATOM 1365 CB TYR A 94 -9.464 2.765 -18.603 1.00 0.00 C ATOM 1366 CG TYR A 94 -8.911 3.778 -19.580 1.00 0.00 C ATOM 1367 CD1 TYR A 94 -8.105 4.822 -19.146 1.00 0.00 C ATOM 1368 CD2 TYR A 94 -9.194 3.688 -20.937 1.00 0.00 C ATOM 1369 CE1 TYR A 94 -7.598 5.749 -20.036 1.00 0.00 C ATOM 1370 CE2 TYR A 94 -8.691 4.611 -21.834 1.00 0.00 C ATOM 1371 CZ TYR A 94 -7.894 5.640 -21.378 1.00 0.00 C ATOM 1372 OH TYR A 94 -7.390 6.562 -22.267 1.00 0.00 O ATOM 0 H TYR A 94 -11.620 4.805 -18.584 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.761 2.586 -16.897 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.638 2.313 -18.055 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.953 1.965 -19.159 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.871 4.911 -18.095 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.818 2.883 -21.297 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.973 6.555 -19.682 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.921 4.527 -22.886 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.692 6.342 -23.173 1.00 0.00 H new ATOM 1382 N SER A 95 -8.709 4.178 -16.138 1.00 0.00 N ATOM 1383 CA SER A 95 -7.986 5.172 -15.353 1.00 0.00 C ATOM 1384 C SER A 95 -6.600 4.662 -14.973 1.00 0.00 C ATOM 1385 O SER A 95 -6.444 3.518 -14.545 1.00 0.00 O ATOM 1386 CB SER A 95 -8.774 5.528 -14.092 1.00 0.00 C ATOM 1387 OG SER A 95 -10.100 5.917 -14.410 1.00 0.00 O ATOM 0 H SER A 95 -8.305 3.242 -16.108 1.00 0.00 H new ATOM 0 HA SER A 95 -7.869 6.067 -15.965 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.795 4.671 -13.419 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.272 6.337 -13.562 1.00 0.00 H new ATOM 0 HG SER A 95 -10.157 6.138 -15.363 1.00 0.00 H new ATOM 1393 N PHE A 96 -5.596 5.518 -15.132 1.00 0.00 N ATOM 1394 CA PHE A 96 -4.221 5.154 -14.805 1.00 0.00 C ATOM 1395 C PHE A 96 -4.000 5.161 -13.296 1.00 0.00 C ATOM 1396 O PHE A 96 -4.535 6.012 -12.584 1.00 0.00 O ATOM 1397 CB PHE A 96 -3.243 6.116 -15.480 1.00 0.00 C ATOM 1398 CG PHE A 96 -3.743 6.664 -16.786 1.00 0.00 C ATOM 1399 CD1 PHE A 96 -4.300 5.823 -17.736 1.00 0.00 C ATOM 1400 CD2 PHE A 96 -3.655 8.018 -17.063 1.00 0.00 C ATOM 1401 CE1 PHE A 96 -4.762 6.324 -18.937 1.00 0.00 C ATOM 1402 CE2 PHE A 96 -4.115 8.525 -18.263 1.00 0.00 C ATOM 1403 CZ PHE A 96 -4.670 7.677 -19.202 1.00 0.00 C ATOM 0 H PHE A 96 -5.708 6.468 -15.485 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.041 4.145 -15.175 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -3.036 6.945 -14.803 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.298 5.600 -15.650 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.374 4.764 -17.535 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.222 8.685 -16.333 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.195 5.658 -19.669 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -4.041 9.583 -18.467 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.031 8.071 -20.141 1.00 0.00 H new ATOM 1413 N CYS A 97 -3.210 4.207 -12.815 1.00 0.00 N ATOM 1414 CA CYS A 97 -2.917 4.104 -11.390 1.00 0.00 C ATOM 1415 C CYS A 97 -1.546 4.689 -11.073 1.00 0.00 C ATOM 1416 O CYS A 97 -0.679 4.772 -11.942 1.00 0.00 O ATOM 1417 CB CYS A 97 -2.973 2.643 -10.939 1.00 0.00 C ATOM 1418 SG CYS A 97 -3.885 1.548 -12.075 1.00 0.00 S ATOM 0 H CYS A 97 -2.761 3.494 -13.391 1.00 0.00 H new ATOM 0 HA CYS A 97 -3.672 4.675 -10.849 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -1.955 2.269 -10.829 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -3.438 2.595 -9.954 1.00 0.00 H new ATOM 1423 N THR A 98 -1.355 5.091 -9.821 1.00 0.00 N ATOM 1424 CA THR A 98 -0.088 5.665 -9.391 1.00 0.00 C ATOM 1425 C THR A 98 0.819 4.604 -8.781 1.00 0.00 C ATOM 1426 O THR A 98 0.404 3.848 -7.903 1.00 0.00 O ATOM 1427 CB THR A 98 -0.299 6.792 -8.365 1.00 0.00 C ATOM 1428 OG1 THR A 98 -1.688 6.904 -8.034 1.00 0.00 O ATOM 1429 CG2 THR A 98 0.207 8.115 -8.913 1.00 0.00 C ATOM 0 H THR A 98 -2.061 5.029 -9.088 1.00 0.00 H new ATOM 0 HA THR A 98 0.387 6.078 -10.281 1.00 0.00 H new ATOM 0 HB THR A 98 0.265 6.547 -7.465 1.00 0.00 H new ATOM 0 HG1 THR A 98 -2.112 7.565 -8.621 1.00 0.00 H new ATOM 0 HG21 THR A 98 0.049 8.900 -8.173 1.00 0.00 H new ATOM 0 HG22 THR A 98 1.271 8.034 -9.134 1.00 0.00 H new ATOM 0 HG23 THR A 98 -0.336 8.362 -9.825 1.00 0.00 H new ATOM 1437 N ASP A 99 2.058 4.554 -9.257 1.00 0.00 N ATOM 1438 CA ASP A 99 3.030 3.585 -8.765 1.00 0.00 C ATOM 1439 C ASP A 99 2.352 2.263 -8.435 1.00 0.00 C ATOM 1440 O ASP A 99 2.671 1.618 -7.436 1.00 0.00 O ATOM 1441 CB ASP A 99 3.751 4.129 -7.530 1.00 0.00 C ATOM 1442 CG ASP A 99 5.237 4.318 -7.765 1.00 0.00 C ATOM 1443 OD1 ASP A 99 5.999 3.351 -7.554 1.00 0.00 O ATOM 1444 OD2 ASP A 99 5.638 5.433 -8.160 1.00 0.00 O ATOM 0 H ASP A 99 2.413 5.174 -9.984 1.00 0.00 H new ATOM 0 HA ASP A 99 3.764 3.411 -9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.307 5.082 -7.244 1.00 0.00 H new ATOM 0 HB3 ASP A 99 3.602 3.445 -6.695 1.00 0.00 H new ATOM 1449 N HIS A 100 1.415 1.871 -9.288 1.00 0.00 N ATOM 1450 CA HIS A 100 0.681 0.624 -9.100 1.00 0.00 C ATOM 1451 C HIS A 100 0.441 0.350 -7.619 1.00 0.00 C ATOM 1452 O HIS A 100 0.868 -0.679 -7.095 1.00 0.00 O ATOM 1453 CB HIS A 100 1.445 -0.542 -9.730 1.00 0.00 C ATOM 1454 CG HIS A 100 0.892 -1.885 -9.368 1.00 0.00 C ATOM 1455 ND1 HIS A 100 -0.284 -2.234 -8.794 1.00 0.00 N flip ATOM 1456 CD2 HIS A 100 1.570 -3.065 -9.593 1.00 0.00 C flip ATOM 1457 CE1 HIS A 100 -0.293 -3.603 -8.684 1.00 0.00 C flip ATOM 1458 NE2 HIS A 100 0.836 -4.080 -9.173 1.00 0.00 N flip ATOM 0 H HIS A 100 1.144 2.398 -10.118 1.00 0.00 H new ATOM 0 HA HIS A 100 -0.286 0.724 -9.593 1.00 0.00 H new ATOM 0 HB2 HIS A 100 1.430 -0.432 -10.814 1.00 0.00 H new ATOM 0 HB3 HIS A 100 2.489 -0.492 -9.419 1.00 0.00 H new ATOM 0 HD2 HIS A 100 2.549 -3.146 -10.043 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -1.094 -4.194 -8.265 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.098 -5.065 -9.219 1.00 0.00 H new ATOM 1467 N THR A 101 -0.248 1.277 -6.957 1.00 0.00 N ATOM 1468 CA THR A 101 -0.557 1.148 -5.537 1.00 0.00 C ATOM 1469 C THR A 101 0.510 0.348 -4.795 1.00 0.00 C ATOM 1470 O THR A 101 0.496 -0.883 -4.800 1.00 0.00 O ATOM 1471 CB THR A 101 -1.930 0.485 -5.332 1.00 0.00 C ATOM 1472 OG1 THR A 101 -2.339 0.612 -3.964 1.00 0.00 O ATOM 1473 CG2 THR A 101 -1.891 -0.984 -5.723 1.00 0.00 C ATOM 0 H THR A 101 -0.605 2.131 -7.386 1.00 0.00 H new ATOM 0 HA THR A 101 -0.579 2.157 -5.125 1.00 0.00 H new ATOM 0 HB THR A 101 -2.650 0.993 -5.974 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.149 0.081 -3.814 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.874 -1.428 -5.568 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.614 -1.074 -6.773 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.157 -1.505 -5.108 1.00 0.00 H new ATOM 1481 N VAL A 102 1.436 1.058 -4.158 1.00 0.00 N ATOM 1482 CA VAL A 102 2.511 0.416 -3.412 1.00 0.00 C ATOM 1483 C VAL A 102 2.007 -0.136 -2.084 1.00 0.00 C ATOM 1484 O VAL A 102 2.133 0.510 -1.044 1.00 0.00 O ATOM 1485 CB VAL A 102 3.669 1.396 -3.141 1.00 0.00 C ATOM 1486 CG1 VAL A 102 3.159 2.641 -2.431 1.00 0.00 C ATOM 1487 CG2 VAL A 102 4.762 0.719 -2.329 1.00 0.00 C ATOM 0 H VAL A 102 1.463 2.078 -4.144 1.00 0.00 H new ATOM 0 HA VAL A 102 2.876 -0.406 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 102 4.095 1.700 -4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.990 3.322 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.415 3.137 -3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.706 2.358 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.571 1.426 -2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.353 0.384 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.147 -0.139 -2.881 1.00 0.00 H new ATOM 1497 N LEU A 103 1.438 -1.336 -2.126 1.00 0.00 N ATOM 1498 CA LEU A 103 0.916 -1.977 -0.925 1.00 0.00 C ATOM 1499 C LEU A 103 0.658 -3.461 -1.167 1.00 0.00 C ATOM 1500 O LEU A 103 -0.224 -3.831 -1.941 1.00 0.00 O ATOM 1501 CB LEU A 103 -0.376 -1.289 -0.474 1.00 0.00 C ATOM 1502 CG LEU A 103 -1.662 -1.877 -1.057 1.00 0.00 C ATOM 1503 CD1 LEU A 103 -2.879 -1.166 -0.486 1.00 0.00 C ATOM 1504 CD2 LEU A 103 -1.650 -1.784 -2.575 1.00 0.00 C ATOM 0 H LEU A 103 1.327 -1.884 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 103 1.664 -1.881 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.434 -1.336 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.322 -0.235 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.718 -2.929 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.785 -1.597 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.895 -1.285 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.831 -0.106 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.572 -2.207 -2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.571 -0.739 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.798 -2.339 -2.967 1.00 0.00 H new ATOM 1516 N VAL A 104 1.438 -4.307 -0.501 1.00 0.00 N ATOM 1517 CA VAL A 104 1.295 -5.751 -0.644 1.00 0.00 C ATOM 1518 C VAL A 104 0.734 -6.372 0.631 1.00 0.00 C ATOM 1519 O VAL A 104 1.336 -6.268 1.698 1.00 0.00 O ATOM 1520 CB VAL A 104 2.646 -6.413 -0.984 1.00 0.00 C ATOM 1521 CG1 VAL A 104 2.585 -7.920 -0.767 1.00 0.00 C ATOM 1522 CG2 VAL A 104 3.053 -6.091 -2.413 1.00 0.00 C ATOM 0 H VAL A 104 2.175 -4.017 0.142 1.00 0.00 H new ATOM 0 HA VAL A 104 0.599 -5.928 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 104 3.402 -6.007 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.550 -8.363 -1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.347 -8.128 0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.815 -8.349 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.008 -6.566 -2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 104 2.294 -6.464 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.149 -5.012 -2.529 1.00 0.00 H new ATOM 1532 N GLN A 105 -0.421 -7.017 0.515 1.00 0.00 N ATOM 1533 CA GLN A 105 -1.058 -7.654 1.662 1.00 0.00 C ATOM 1534 C GLN A 105 -0.591 -9.098 1.810 1.00 0.00 C ATOM 1535 O GLN A 105 -1.264 -10.027 1.362 1.00 0.00 O ATOM 1536 CB GLN A 105 -2.580 -7.610 1.517 1.00 0.00 C ATOM 1537 CG GLN A 105 -3.288 -6.998 2.715 1.00 0.00 C ATOM 1538 CD GLN A 105 -3.105 -7.813 3.979 1.00 0.00 C ATOM 1539 OE1 GLN A 105 -3.630 -8.919 4.102 1.00 0.00 O ATOM 1540 NE2 GLN A 105 -2.355 -7.268 4.931 1.00 0.00 N ATOM 0 H GLN A 105 -0.935 -7.113 -0.361 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.770 -7.104 2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.835 -7.039 0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.952 -8.623 1.365 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.910 -5.989 2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.352 -6.908 2.496 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.938 -6.348 4.788 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.196 -7.770 5.805 1.00 0.00 H new ATOM 1549 N THR A 106 0.566 -9.280 2.439 1.00 0.00 N ATOM 1550 CA THR A 106 1.122 -10.613 2.641 1.00 0.00 C ATOM 1551 C THR A 106 0.748 -11.168 4.010 1.00 0.00 C ATOM 1552 O THR A 106 0.250 -10.445 4.871 1.00 0.00 O ATOM 1553 CB THR A 106 2.656 -10.610 2.508 1.00 0.00 C ATOM 1554 OG1 THR A 106 3.217 -9.562 3.306 1.00 0.00 O ATOM 1555 CG2 THR A 106 3.072 -10.428 1.057 1.00 0.00 C ATOM 0 H THR A 106 1.136 -8.523 2.817 1.00 0.00 H new ATOM 0 HA THR A 106 0.696 -11.249 1.865 1.00 0.00 H new ATOM 0 HB THR A 106 3.030 -11.571 2.859 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.540 -9.229 3.931 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.160 -10.429 0.987 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.669 -11.245 0.458 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.686 -9.480 0.684 1.00 0.00 H new ATOM 1563 N ARG A 107 0.997 -12.460 4.204 1.00 0.00 N ATOM 1564 CA ARG A 107 0.691 -13.115 5.468 1.00 0.00 C ATOM 1565 C ARG A 107 1.434 -14.441 5.590 1.00 0.00 C ATOM 1566 O ARG A 107 1.413 -15.263 4.673 1.00 0.00 O ATOM 1567 CB ARG A 107 -0.816 -13.348 5.595 1.00 0.00 C ATOM 1568 CG ARG A 107 -1.381 -14.274 4.531 1.00 0.00 C ATOM 1569 CD ARG A 107 -2.882 -14.454 4.687 1.00 0.00 C ATOM 1570 NE ARG A 107 -3.544 -14.672 3.404 1.00 0.00 N ATOM 1571 CZ ARG A 107 -4.783 -15.138 3.284 1.00 0.00 C ATOM 1572 NH1 ARG A 107 -5.490 -15.433 4.367 1.00 0.00 N ATOM 1573 NH2 ARG A 107 -5.316 -15.310 2.083 1.00 0.00 N ATOM 0 H ARG A 107 1.410 -13.073 3.501 1.00 0.00 H new ATOM 0 HA ARG A 107 1.020 -12.460 6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.029 -13.766 6.579 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.329 -12.388 5.539 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -1.163 -13.869 3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -0.889 -15.245 4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.079 -15.301 5.345 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -3.305 -13.572 5.168 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.027 -14.455 2.552 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.083 -15.302 5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -6.441 -15.791 4.274 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -4.775 -15.085 1.248 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -6.267 -15.668 1.994 1.00 0.00 H new ATOM 1587 N GLY A 108 2.091 -14.642 6.728 1.00 0.00 N ATOM 1588 CA GLY A 108 2.833 -15.869 6.949 1.00 0.00 C ATOM 1589 C GLY A 108 4.327 -15.631 7.054 1.00 0.00 C ATOM 1590 O GLY A 108 4.800 -14.514 6.845 1.00 0.00 O ATOM 0 H GLY A 108 2.123 -13.977 7.501 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.479 -16.345 7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.635 -16.562 6.132 1.00 0.00 H new ATOM 1594 N GLY A 109 5.071 -16.683 7.378 1.00 0.00 N ATOM 1595 CA GLY A 109 6.511 -16.561 7.503 1.00 0.00 C ATOM 1596 C GLY A 109 6.938 -16.073 8.873 1.00 0.00 C ATOM 1597 O GLY A 109 7.094 -16.868 9.800 1.00 0.00 O ATOM 0 H GLY A 109 4.703 -17.617 7.556 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.972 -17.529 7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 109 6.881 -15.871 6.744 1.00 0.00 H new ATOM 1601 N ASN A 110 7.127 -14.764 9.002 1.00 0.00 N ATOM 1602 CA ASN A 110 7.540 -14.173 10.269 1.00 0.00 C ATOM 1603 C ASN A 110 7.004 -12.753 10.407 1.00 0.00 C ATOM 1604 O ASN A 110 7.503 -11.964 11.209 1.00 0.00 O ATOM 1605 CB ASN A 110 9.066 -14.168 10.381 1.00 0.00 C ATOM 1606 CG ASN A 110 9.657 -15.560 10.290 1.00 0.00 C ATOM 1607 OD1 ASN A 110 9.889 -16.027 9.070 1.00 0.00 O flip ATOM 1608 ND2 ASN A 110 9.904 -16.209 11.307 1.00 0.00 N flip ATOM 0 H ASN A 110 7.001 -14.093 8.245 1.00 0.00 H new ATOM 0 HA ASN A 110 7.126 -14.778 11.075 1.00 0.00 H new ATOM 0 HB2 ASN A 110 9.484 -13.547 9.589 1.00 0.00 H new ATOM 0 HB3 ASN A 110 9.356 -13.714 11.329 1.00 0.00 H new ATOM 0 HD21 ASN A 110 9.710 -15.811 12.226 1.00 0.00 H new ATOM 0 HD22 ASN A 110 10.303 -17.145 11.231 1.00 0.00 H new ATOM 1615 N SER A 111 5.984 -12.433 9.617 1.00 0.00 N ATOM 1616 CA SER A 111 5.378 -11.107 9.649 1.00 0.00 C ATOM 1617 C SER A 111 3.906 -11.192 10.037 1.00 0.00 C ATOM 1618 O SER A 111 3.280 -10.182 10.361 1.00 0.00 O ATOM 1619 CB SER A 111 5.519 -10.428 8.287 1.00 0.00 C ATOM 1620 OG SER A 111 6.646 -10.924 7.583 1.00 0.00 O ATOM 0 H SER A 111 5.560 -13.074 8.947 1.00 0.00 H new ATOM 0 HA SER A 111 5.900 -10.513 10.400 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.617 -10.595 7.699 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.616 -9.351 8.423 1.00 0.00 H new ATOM 0 HG SER A 111 6.553 -11.891 7.456 1.00 0.00 H new ATOM 1626 N ASN A 112 3.357 -12.403 10.000 1.00 0.00 N ATOM 1627 CA ASN A 112 1.957 -12.616 10.346 1.00 0.00 C ATOM 1628 C ASN A 112 1.073 -11.565 9.683 1.00 0.00 C ATOM 1629 O ASN A 112 0.839 -10.495 10.244 1.00 0.00 O ATOM 1630 CB ASN A 112 1.772 -12.574 11.863 1.00 0.00 C ATOM 1631 CG ASN A 112 2.896 -13.270 12.603 1.00 0.00 C ATOM 1632 OD1 ASN A 112 3.419 -14.288 12.147 1.00 0.00 O ATOM 1633 ND2 ASN A 112 3.276 -12.725 13.752 1.00 0.00 N ATOM 0 H ASN A 112 3.860 -13.250 9.734 1.00 0.00 H new ATOM 0 HA ASN A 112 1.661 -13.599 9.981 1.00 0.00 H new ATOM 0 HB2 ASN A 112 1.714 -11.536 12.190 1.00 0.00 H new ATOM 0 HB3 ASN A 112 0.824 -13.044 12.124 1.00 0.00 H new ATOM 0 HD21 ASN A 112 4.028 -13.150 14.294 1.00 0.00 H new ATOM 0 HD22 ASN A 112 2.816 -11.881 14.093 1.00 0.00 H new ATOM 1640 N GLY A 113 0.587 -11.875 8.486 1.00 0.00 N ATOM 1641 CA GLY A 113 -0.260 -10.943 7.767 1.00 0.00 C ATOM 1642 C GLY A 113 0.264 -9.523 7.836 1.00 0.00 C ATOM 1643 O GLY A 113 -0.294 -8.684 8.544 1.00 0.00 O ATOM 0 H GLY A 113 0.765 -12.755 8.001 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.333 -11.251 6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.268 -10.977 8.181 1.00 0.00 H new ATOM 1647 N ALA A 114 1.340 -9.250 7.103 1.00 0.00 N ATOM 1648 CA ALA A 114 1.935 -7.921 7.094 1.00 0.00 C ATOM 1649 C ALA A 114 1.882 -7.305 5.701 1.00 0.00 C ATOM 1650 O ALA A 114 2.188 -7.964 4.707 1.00 0.00 O ATOM 1651 CB ALA A 114 3.371 -7.982 7.591 1.00 0.00 C ATOM 0 H ALA A 114 1.815 -9.930 6.510 1.00 0.00 H new ATOM 0 HA ALA A 114 1.356 -7.287 7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.803 -6.981 7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.388 -8.372 8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.953 -8.636 6.942 1.00 0.00 H new ATOM 1657 N LEU A 115 1.493 -6.037 5.637 1.00 0.00 N ATOM 1658 CA LEU A 115 1.402 -5.331 4.366 1.00 0.00 C ATOM 1659 C LEU A 115 2.786 -5.134 3.758 1.00 0.00 C ATOM 1660 O LEU A 115 3.376 -4.061 3.876 1.00 0.00 O ATOM 1661 CB LEU A 115 0.718 -3.976 4.557 1.00 0.00 C ATOM 1662 CG LEU A 115 -0.626 -3.824 3.843 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -1.459 -2.734 4.501 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -0.414 -3.519 2.367 1.00 0.00 C ATOM 0 H LEU A 115 1.236 -5.478 6.450 1.00 0.00 H new ATOM 0 HA LEU A 115 0.805 -5.936 3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 115 0.567 -3.809 5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.390 -3.194 4.204 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.168 -4.766 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.412 -2.640 3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.640 -2.994 5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.923 -1.786 4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.381 -3.414 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.148 -2.591 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.143 -4.333 1.903 1.00 0.00 H new ATOM 1676 N CYS A 116 3.297 -6.177 3.107 1.00 0.00 N ATOM 1677 CA CYS A 116 4.612 -6.119 2.480 1.00 0.00 C ATOM 1678 C CYS A 116 4.884 -4.726 1.924 1.00 0.00 C ATOM 1679 O CYS A 116 3.962 -4.014 1.525 1.00 0.00 O ATOM 1680 CB CYS A 116 4.716 -7.155 1.359 1.00 0.00 C ATOM 1681 SG CYS A 116 5.961 -8.454 1.657 1.00 0.00 S ATOM 0 H CYS A 116 2.819 -7.072 3.001 1.00 0.00 H new ATOM 0 HA CYS A 116 5.359 -6.344 3.241 1.00 0.00 H new ATOM 0 HB2 CYS A 116 3.742 -7.625 1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.957 -6.643 0.427 1.00 0.00 H new ATOM 1686 N HIS A 117 6.154 -4.345 1.905 1.00 0.00 N ATOM 1687 CA HIS A 117 6.548 -3.035 1.405 1.00 0.00 C ATOM 1688 C HIS A 117 7.757 -3.149 0.481 1.00 0.00 C ATOM 1689 O HIS A 117 8.898 -2.994 0.916 1.00 0.00 O ATOM 1690 CB HIS A 117 6.851 -2.092 2.579 1.00 0.00 C ATOM 1691 CG HIS A 117 7.906 -1.065 2.292 1.00 0.00 C ATOM 1692 ND1 HIS A 117 9.226 -1.047 2.591 1.00 0.00 N flip ATOM 1693 CD2 HIS A 117 7.652 0.111 1.619 1.00 0.00 C flip ATOM 1694 CE1 HIS A 117 9.740 0.126 2.098 1.00 0.00 C flip ATOM 1695 NE2 HIS A 117 8.771 0.807 1.516 1.00 0.00 N flip ATOM 0 H HIS A 117 6.928 -4.924 2.230 1.00 0.00 H new ATOM 0 HA HIS A 117 5.721 -2.621 0.828 1.00 0.00 H new ATOM 0 HB2 HIS A 117 5.932 -1.581 2.865 1.00 0.00 H new ATOM 0 HB3 HIS A 117 7.165 -2.688 3.436 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.689 0.416 1.236 1.00 0.00 H new ATOM 0 HE1 HIS A 117 10.770 0.441 2.174 1.00 0.00 H new ATOM 0 HE2 HIS A 117 8.869 1.716 1.064 1.00 0.00 H new ATOM 1704 N PHE A 118 7.500 -3.414 -0.794 1.00 0.00 N ATOM 1705 CA PHE A 118 8.572 -3.538 -1.770 1.00 0.00 C ATOM 1706 C PHE A 118 8.281 -2.667 -2.996 1.00 0.00 C ATOM 1707 O PHE A 118 7.236 -2.019 -3.047 1.00 0.00 O ATOM 1708 CB PHE A 118 8.774 -5.008 -2.152 1.00 0.00 C ATOM 1709 CG PHE A 118 7.582 -5.671 -2.776 1.00 0.00 C ATOM 1710 CD1 PHE A 118 7.059 -5.207 -3.969 1.00 0.00 C ATOM 1711 CD2 PHE A 118 6.995 -6.771 -2.171 1.00 0.00 C ATOM 1712 CE1 PHE A 118 5.971 -5.826 -4.550 1.00 0.00 C ATOM 1713 CE2 PHE A 118 5.905 -7.397 -2.746 1.00 0.00 C ATOM 1714 CZ PHE A 118 5.392 -6.923 -3.938 1.00 0.00 C ATOM 0 H PHE A 118 6.563 -3.546 -1.174 1.00 0.00 H new ATOM 0 HA PHE A 118 9.502 -3.181 -1.327 1.00 0.00 H new ATOM 0 HB2 PHE A 118 9.613 -5.076 -2.845 1.00 0.00 H new ATOM 0 HB3 PHE A 118 9.054 -5.565 -1.258 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.507 -4.351 -4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 118 7.394 -7.144 -1.239 1.00 0.00 H new ATOM 0 HE1 PHE A 118 5.572 -5.454 -5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.456 -8.254 -2.265 1.00 0.00 H new ATOM 0 HZ PHE A 118 4.540 -7.408 -4.391 1.00 0.00 H new ATOM 1724 N PRO A 119 9.187 -2.607 -4.000 1.00 0.00 N ATOM 1725 CA PRO A 119 10.463 -3.341 -4.034 1.00 0.00 C ATOM 1726 C PRO A 119 11.199 -3.377 -2.697 1.00 0.00 C ATOM 1727 O PRO A 119 11.389 -2.345 -2.053 1.00 0.00 O ATOM 1728 CB PRO A 119 11.282 -2.556 -5.055 1.00 0.00 C ATOM 1729 CG PRO A 119 10.271 -2.010 -6.005 1.00 0.00 C ATOM 1730 CD PRO A 119 9.002 -1.798 -5.220 1.00 0.00 C ATOM 0 HA PRO A 119 10.302 -4.391 -4.278 1.00 0.00 H new ATOM 0 HB2 PRO A 119 11.850 -1.757 -4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 119 12.000 -3.198 -5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 119 10.617 -1.072 -6.440 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.103 -2.702 -6.830 1.00 0.00 H new ATOM 0 HD2 PRO A 119 8.854 -0.745 -4.980 1.00 0.00 H new ATOM 0 HD3 PRO A 119 8.127 -2.123 -5.783 1.00 0.00 H new ATOM 1738 N PHE A 120 11.611 -4.576 -2.289 1.00 0.00 N ATOM 1739 CA PHE A 120 12.329 -4.755 -1.031 1.00 0.00 C ATOM 1740 C PHE A 120 13.684 -5.406 -1.272 1.00 0.00 C ATOM 1741 O PHE A 120 13.991 -5.821 -2.390 1.00 0.00 O ATOM 1742 CB PHE A 120 11.507 -5.604 -0.057 1.00 0.00 C ATOM 1743 CG PHE A 120 11.482 -7.072 -0.386 1.00 0.00 C ATOM 1744 CD1 PHE A 120 10.690 -7.555 -1.415 1.00 0.00 C ATOM 1745 CD2 PHE A 120 12.239 -7.971 0.346 1.00 0.00 C ATOM 1746 CE1 PHE A 120 10.652 -8.903 -1.708 1.00 0.00 C ATOM 1747 CE2 PHE A 120 12.209 -9.322 0.056 1.00 0.00 C ATOM 1748 CZ PHE A 120 11.414 -9.790 -0.972 1.00 0.00 C ATOM 0 H PHE A 120 11.459 -5.438 -2.813 1.00 0.00 H new ATOM 0 HA PHE A 120 12.488 -3.771 -0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.909 -5.475 0.948 1.00 0.00 H new ATOM 0 HB3 PHE A 120 10.483 -5.229 -0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 120 10.094 -6.867 -1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.860 -7.612 1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 120 10.027 -9.264 -2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 120 12.807 -10.012 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.388 -10.845 -1.200 1.00 0.00 H new ATOM 1758 N LEU A 121 14.495 -5.493 -0.223 1.00 0.00 N ATOM 1759 CA LEU A 121 15.815 -6.095 -0.343 1.00 0.00 C ATOM 1760 C LEU A 121 15.874 -7.455 0.345 1.00 0.00 C ATOM 1761 O LEU A 121 15.739 -7.554 1.565 1.00 0.00 O ATOM 1762 CB LEU A 121 16.890 -5.176 0.244 1.00 0.00 C ATOM 1763 CG LEU A 121 18.313 -5.410 -0.289 1.00 0.00 C ATOM 1764 CD1 LEU A 121 18.481 -6.824 -0.805 1.00 0.00 C ATOM 1765 CD2 LEU A 121 18.648 -4.420 -1.388 1.00 0.00 C ATOM 0 H LEU A 121 14.263 -5.157 0.712 1.00 0.00 H new ATOM 0 HA LEU A 121 16.008 -6.237 -1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.610 -4.142 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.900 -5.300 1.327 1.00 0.00 H new ATOM 0 HG LEU A 121 19.001 -5.261 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 121 19.498 -6.958 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 121 18.293 -7.531 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 121 17.774 -7.002 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 121 19.660 -4.606 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 121 17.942 -4.537 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 121 18.583 -3.405 -0.996 1.00 0.00 H new ATOM 1777 N TYR A 122 16.091 -8.498 -0.447 1.00 0.00 N ATOM 1778 CA TYR A 122 16.185 -9.856 0.075 1.00 0.00 C ATOM 1779 C TYR A 122 17.624 -10.355 -0.010 1.00 0.00 C ATOM 1780 O TYR A 122 18.107 -10.695 -1.089 1.00 0.00 O ATOM 1781 CB TYR A 122 15.262 -10.792 -0.706 1.00 0.00 C ATOM 1782 CG TYR A 122 15.523 -12.259 -0.448 1.00 0.00 C ATOM 1783 CD1 TYR A 122 16.202 -12.675 0.689 1.00 0.00 C ATOM 1784 CD2 TYR A 122 15.085 -13.229 -1.341 1.00 0.00 C ATOM 1785 CE1 TYR A 122 16.439 -14.012 0.930 1.00 0.00 C ATOM 1786 CE2 TYR A 122 15.319 -14.571 -1.108 1.00 0.00 C ATOM 1787 CZ TYR A 122 15.996 -14.957 0.029 1.00 0.00 C ATOM 1788 OH TYR A 122 16.231 -16.292 0.266 1.00 0.00 O ATOM 0 H TYR A 122 16.206 -8.429 -1.458 1.00 0.00 H new ATOM 0 HA TYR A 122 15.874 -9.847 1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.227 -10.566 -0.448 1.00 0.00 H new ATOM 0 HB3 TYR A 122 15.376 -10.594 -1.772 1.00 0.00 H new ATOM 0 HD1 TYR A 122 16.551 -11.938 1.398 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.553 -12.929 -2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 122 16.969 -14.317 1.820 1.00 0.00 H new ATOM 0 HE2 TYR A 122 14.973 -15.313 -1.813 1.00 0.00 H new ATOM 0 HH TYR A 122 16.280 -16.772 -0.587 1.00 0.00 H new ATOM 1798 N ASN A 123 18.311 -10.387 1.127 1.00 0.00 N ATOM 1799 CA ASN A 123 19.698 -10.834 1.159 1.00 0.00 C ATOM 1800 C ASN A 123 20.499 -10.128 0.070 1.00 0.00 C ATOM 1801 O ASN A 123 21.053 -10.767 -0.824 1.00 0.00 O ATOM 1802 CB ASN A 123 19.776 -12.351 0.969 1.00 0.00 C ATOM 1803 CG ASN A 123 20.290 -13.063 2.204 1.00 0.00 C ATOM 1804 OD1 ASN A 123 21.466 -13.422 2.284 1.00 0.00 O ATOM 1805 ND2 ASN A 123 19.411 -13.272 3.176 1.00 0.00 N ATOM 0 H ASN A 123 17.933 -10.111 2.033 1.00 0.00 H new ATOM 0 HA ASN A 123 20.122 -10.584 2.131 1.00 0.00 H new ATOM 0 HB2 ASN A 123 18.787 -12.734 0.717 1.00 0.00 H new ATOM 0 HB3 ASN A 123 20.429 -12.576 0.126 1.00 0.00 H new ATOM 0 HD21 ASN A 123 19.700 -13.747 4.031 1.00 0.00 H new ATOM 0 HD22 ASN A 123 18.447 -12.958 3.068 1.00 0.00 H new ATOM 1812 N ASN A 124 20.539 -8.802 0.150 1.00 0.00 N ATOM 1813 CA ASN A 124 21.252 -7.993 -0.830 1.00 0.00 C ATOM 1814 C ASN A 124 20.817 -8.358 -2.248 1.00 0.00 C ATOM 1815 O ASN A 124 21.569 -8.192 -3.206 1.00 0.00 O ATOM 1816 CB ASN A 124 22.765 -8.160 -0.679 1.00 0.00 C ATOM 1817 CG ASN A 124 23.274 -9.437 -1.319 1.00 0.00 C ATOM 1818 OD1 ASN A 124 23.365 -10.477 -0.669 1.00 0.00 O ATOM 1819 ND2 ASN A 124 23.613 -9.361 -2.601 1.00 0.00 N ATOM 0 H ASN A 124 20.084 -8.264 0.887 1.00 0.00 H new ATOM 0 HA ASN A 124 21.003 -6.947 -0.648 1.00 0.00 H new ATOM 0 HB2 ASN A 124 23.269 -7.305 -1.130 1.00 0.00 H new ATOM 0 HB3 ASN A 124 23.024 -8.160 0.380 1.00 0.00 H new ATOM 0 HD21 ASN A 124 23.965 -10.187 -3.085 1.00 0.00 H new ATOM 0 HD22 ASN A 124 23.521 -8.477 -3.101 1.00 0.00 H new ATOM 1826 N HIS A 125 19.581 -8.832 -2.362 1.00 0.00 N ATOM 1827 CA HIS A 125 19.003 -9.196 -3.648 1.00 0.00 C ATOM 1828 C HIS A 125 17.631 -8.544 -3.787 1.00 0.00 C ATOM 1829 O HIS A 125 16.603 -9.183 -3.562 1.00 0.00 O ATOM 1830 CB HIS A 125 18.883 -10.715 -3.781 1.00 0.00 C ATOM 1831 CG HIS A 125 18.604 -11.171 -5.179 1.00 0.00 C ATOM 1832 ND1 HIS A 125 18.978 -12.408 -5.657 1.00 0.00 N ATOM 1833 CD2 HIS A 125 17.980 -10.545 -6.206 1.00 0.00 C ATOM 1834 CE1 HIS A 125 18.599 -12.525 -6.918 1.00 0.00 C ATOM 1835 NE2 HIS A 125 17.991 -11.408 -7.273 1.00 0.00 N ATOM 0 H HIS A 125 18.955 -8.974 -1.569 1.00 0.00 H new ATOM 0 HA HIS A 125 19.658 -8.840 -4.443 1.00 0.00 H new ATOM 0 HB2 HIS A 125 19.808 -11.176 -3.434 1.00 0.00 H new ATOM 0 HB3 HIS A 125 18.086 -11.067 -3.126 1.00 0.00 H new ATOM 0 HD2 HIS A 125 17.554 -9.553 -6.188 1.00 0.00 H new ATOM 0 HE1 HIS A 125 18.759 -13.386 -7.549 1.00 0.00 H new ATOM 0 HE2 HIS A 125 17.593 -11.217 -8.193 1.00 0.00 H new ATOM 1844 N ASN A 126 17.624 -7.259 -4.131 1.00 0.00 N ATOM 1845 CA ASN A 126 16.379 -6.512 -4.273 1.00 0.00 C ATOM 1846 C ASN A 126 15.330 -7.316 -5.037 1.00 0.00 C ATOM 1847 O ASN A 126 15.662 -8.179 -5.849 1.00 0.00 O ATOM 1848 CB ASN A 126 16.625 -5.176 -4.979 1.00 0.00 C ATOM 1849 CG ASN A 126 17.821 -5.206 -5.909 1.00 0.00 C ATOM 1850 OD1 ASN A 126 18.221 -6.266 -6.394 1.00 0.00 O ATOM 1851 ND2 ASN A 126 18.397 -4.033 -6.158 1.00 0.00 N ATOM 0 H ASN A 126 18.466 -6.714 -4.316 1.00 0.00 H new ATOM 0 HA ASN A 126 15.999 -6.319 -3.270 1.00 0.00 H new ATOM 0 HB2 ASN A 126 15.736 -4.904 -5.548 1.00 0.00 H new ATOM 0 HB3 ASN A 126 16.774 -4.398 -4.230 1.00 0.00 H new ATOM 0 HD22 ASN A 126 18.028 -3.183 -5.732 1.00 0.00 H new ATOM 1857 N TYR A 127 14.060 -7.020 -4.769 1.00 0.00 N ATOM 1858 CA TYR A 127 12.952 -7.705 -5.426 1.00 0.00 C ATOM 1859 C TYR A 127 11.743 -6.782 -5.546 1.00 0.00 C ATOM 1860 O TYR A 127 11.784 -5.640 -5.095 1.00 0.00 O ATOM 1861 CB TYR A 127 12.570 -8.967 -4.651 1.00 0.00 C ATOM 1862 CG TYR A 127 13.361 -10.188 -5.061 1.00 0.00 C ATOM 1863 CD1 TYR A 127 13.027 -10.904 -6.203 1.00 0.00 C ATOM 1864 CD2 TYR A 127 14.441 -10.624 -4.304 1.00 0.00 C ATOM 1865 CE1 TYR A 127 13.748 -12.020 -6.581 1.00 0.00 C ATOM 1866 CE2 TYR A 127 15.167 -11.739 -4.676 1.00 0.00 C ATOM 1867 CZ TYR A 127 14.817 -12.433 -5.815 1.00 0.00 C ATOM 1868 OH TYR A 127 15.538 -13.544 -6.189 1.00 0.00 O ATOM 0 H TYR A 127 13.773 -6.307 -4.098 1.00 0.00 H new ATOM 0 HA TYR A 127 13.274 -7.989 -6.428 1.00 0.00 H new ATOM 0 HB2 TYR A 127 12.718 -8.789 -3.586 1.00 0.00 H new ATOM 0 HB3 TYR A 127 11.508 -9.166 -4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 127 12.190 -10.583 -6.805 1.00 0.00 H new ATOM 0 HD2 TYR A 127 14.717 -10.083 -3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 127 13.476 -12.566 -7.472 1.00 0.00 H new ATOM 0 HE2 TYR A 127 16.005 -12.066 -4.078 1.00 0.00 H new ATOM 0 HH TYR A 127 15.325 -13.775 -7.117 1.00 0.00 H new ATOM 1878 N THR A 128 10.673 -7.283 -6.157 1.00 0.00 N ATOM 1879 CA THR A 128 9.453 -6.499 -6.339 1.00 0.00 C ATOM 1880 C THR A 128 8.316 -7.359 -6.875 1.00 0.00 C ATOM 1881 O THR A 128 7.762 -7.077 -7.938 1.00 0.00 O ATOM 1882 CB THR A 128 9.678 -5.326 -7.312 1.00 0.00 C ATOM 1883 OG1 THR A 128 10.893 -4.641 -6.988 1.00 0.00 O ATOM 1884 CG2 THR A 128 8.510 -4.354 -7.263 1.00 0.00 C ATOM 0 H THR A 128 10.625 -8.229 -6.535 1.00 0.00 H new ATOM 0 HA THR A 128 9.185 -6.111 -5.356 1.00 0.00 H new ATOM 0 HB THR A 128 9.753 -5.730 -8.322 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.097 -4.769 -6.038 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.690 -3.534 -7.958 1.00 0.00 H new ATOM 0 HG22 THR A 128 7.593 -4.872 -7.543 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.408 -3.958 -6.253 1.00 0.00 H new ATOM 1892 N ASP A 129 7.964 -8.406 -6.137 1.00 0.00 N ATOM 1893 CA ASP A 129 6.883 -9.292 -6.553 1.00 0.00 C ATOM 1894 C ASP A 129 6.940 -10.627 -5.823 1.00 0.00 C ATOM 1895 O ASP A 129 7.315 -11.646 -6.404 1.00 0.00 O ATOM 1896 CB ASP A 129 6.939 -9.522 -8.064 1.00 0.00 C ATOM 1897 CG ASP A 129 8.360 -9.595 -8.588 1.00 0.00 C ATOM 1898 OD1 ASP A 129 9.094 -10.523 -8.185 1.00 0.00 O ATOM 1899 OD2 ASP A 129 8.740 -8.725 -9.399 1.00 0.00 O ATOM 0 H ASP A 129 8.407 -8.661 -5.254 1.00 0.00 H new ATOM 0 HA ASP A 129 5.941 -8.807 -6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 129 6.418 -10.448 -8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 129 6.409 -8.715 -8.571 1.00 0.00 H new ATOM 1904 N CYS A 130 6.550 -10.610 -4.550 1.00 0.00 N ATOM 1905 CA CYS A 130 6.537 -11.812 -3.721 1.00 0.00 C ATOM 1906 C CYS A 130 7.579 -12.823 -4.187 1.00 0.00 C ATOM 1907 O CYS A 130 7.240 -13.865 -4.749 1.00 0.00 O ATOM 1908 CB CYS A 130 5.147 -12.459 -3.733 1.00 0.00 C ATOM 1909 SG CYS A 130 3.937 -11.632 -4.819 1.00 0.00 S ATOM 0 H CYS A 130 6.236 -9.768 -4.067 1.00 0.00 H new ATOM 0 HA CYS A 130 6.784 -11.510 -2.703 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.247 -13.498 -4.046 1.00 0.00 H new ATOM 0 HB3 CYS A 130 4.756 -12.469 -2.716 1.00 0.00 H new ATOM 1914 N THR A 131 8.846 -12.511 -3.950 1.00 0.00 N ATOM 1915 CA THR A 131 9.937 -13.395 -4.345 1.00 0.00 C ATOM 1916 C THR A 131 10.025 -14.603 -3.421 1.00 0.00 C ATOM 1917 O THR A 131 9.828 -14.490 -2.211 1.00 0.00 O ATOM 1918 CB THR A 131 11.293 -12.665 -4.333 1.00 0.00 C ATOM 1919 OG1 THR A 131 12.269 -13.439 -5.037 1.00 0.00 O ATOM 1920 CG2 THR A 131 11.763 -12.425 -2.905 1.00 0.00 C ATOM 0 H THR A 131 9.145 -11.653 -3.486 1.00 0.00 H new ATOM 0 HA THR A 131 9.719 -13.724 -5.361 1.00 0.00 H new ATOM 0 HB THR A 131 11.169 -11.701 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 131 12.920 -12.840 -5.458 1.00 0.00 H new ATOM 0 HG21 THR A 131 12.723 -11.908 -2.920 1.00 0.00 H new ATOM 0 HG22 THR A 131 11.030 -11.814 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 131 11.874 -13.381 -2.393 1.00 0.00 H new ATOM 1928 N SER A 132 10.324 -15.762 -3.998 1.00 0.00 N ATOM 1929 CA SER A 132 10.442 -16.993 -3.227 1.00 0.00 C ATOM 1930 C SER A 132 11.842 -17.580 -3.357 1.00 0.00 C ATOM 1931 O SER A 132 12.025 -18.797 -3.303 1.00 0.00 O ATOM 1932 CB SER A 132 9.403 -18.015 -3.696 1.00 0.00 C ATOM 1933 OG SER A 132 8.783 -18.654 -2.594 1.00 0.00 O ATOM 0 H SER A 132 10.489 -15.874 -4.998 1.00 0.00 H new ATOM 0 HA SER A 132 10.261 -16.756 -2.179 1.00 0.00 H new ATOM 0 HB2 SER A 132 8.648 -17.517 -4.304 1.00 0.00 H new ATOM 0 HB3 SER A 132 9.882 -18.761 -4.330 1.00 0.00 H new ATOM 0 HG SER A 132 9.068 -19.591 -2.556 1.00 0.00 H new ATOM 1939 N GLU A 133 12.830 -16.708 -3.528 1.00 0.00 N ATOM 1940 CA GLU A 133 14.217 -17.139 -3.667 1.00 0.00 C ATOM 1941 C GLU A 133 14.725 -17.763 -2.371 1.00 0.00 C ATOM 1942 O GLU A 133 15.693 -17.285 -1.778 1.00 0.00 O ATOM 1943 CB GLU A 133 15.103 -15.956 -4.061 1.00 0.00 C ATOM 1944 CG GLU A 133 15.719 -16.092 -5.443 1.00 0.00 C ATOM 1945 CD GLU A 133 17.103 -15.478 -5.529 1.00 0.00 C ATOM 1946 OE1 GLU A 133 17.416 -14.603 -4.696 1.00 0.00 O ATOM 1947 OE2 GLU A 133 17.874 -15.874 -6.429 1.00 0.00 O ATOM 0 H GLU A 133 12.696 -15.698 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 133 14.261 -17.893 -4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 133 14.511 -15.041 -4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 133 15.900 -15.849 -3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 133 15.777 -17.148 -5.708 1.00 0.00 H new ATOM 0 HG3 GLU A 133 15.068 -15.615 -6.175 1.00 0.00 H new ATOM 1954 N GLY A 134 14.069 -18.834 -1.938 1.00 0.00 N ATOM 1955 CA GLY A 134 14.471 -19.505 -0.716 1.00 0.00 C ATOM 1956 C GLY A 134 13.639 -20.742 -0.433 1.00 0.00 C ATOM 1957 O GLY A 134 14.134 -21.713 0.137 1.00 0.00 O ATOM 0 H GLY A 134 13.266 -19.249 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 134 15.522 -19.786 -0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 134 14.383 -18.812 0.121 1.00 0.00 H new ATOM 1961 N ARG A 135 12.372 -20.703 -0.833 1.00 0.00 N ATOM 1962 CA ARG A 135 11.470 -21.829 -0.618 1.00 0.00 C ATOM 1963 C ARG A 135 10.803 -22.249 -1.924 1.00 0.00 C ATOM 1964 O ARG A 135 10.003 -21.505 -2.491 1.00 0.00 O ATOM 1965 CB ARG A 135 10.404 -21.465 0.417 1.00 0.00 C ATOM 1966 CG ARG A 135 9.972 -20.009 0.359 1.00 0.00 C ATOM 1967 CD ARG A 135 8.524 -19.840 0.790 1.00 0.00 C ATOM 1968 NE ARG A 135 8.054 -20.970 1.586 1.00 0.00 N ATOM 1969 CZ ARG A 135 8.273 -21.093 2.891 1.00 0.00 C ATOM 1970 NH1 ARG A 135 8.952 -20.159 3.542 1.00 0.00 N ATOM 1971 NH2 ARG A 135 7.814 -22.151 3.546 1.00 0.00 N ATOM 0 H ARG A 135 11.947 -19.906 -1.307 1.00 0.00 H new ATOM 0 HA ARG A 135 12.059 -22.667 -0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 135 9.531 -22.101 0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 135 10.788 -21.682 1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 135 10.617 -19.411 1.003 1.00 0.00 H new ATOM 0 HG3 ARG A 135 10.097 -19.631 -0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 135 8.423 -18.922 1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.894 -19.731 -0.093 1.00 0.00 H new ATOM 0 HE ARG A 135 7.528 -21.706 1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 135 9.307 -19.344 3.041 1.00 0.00 H new ATOM 0 HH12 ARG A 135 9.119 -20.255 4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 135 7.292 -22.872 3.048 1.00 0.00 H new ATOM 0 HH22 ARG A 135 7.983 -22.244 4.548 1.00 0.00 H new ATOM 1985 N ARG A 136 11.140 -23.444 -2.397 1.00 0.00 N ATOM 1986 CA ARG A 136 10.574 -23.963 -3.637 1.00 0.00 C ATOM 1987 C ARG A 136 9.302 -24.759 -3.363 1.00 0.00 C ATOM 1988 O ARG A 136 9.076 -25.813 -3.960 1.00 0.00 O ATOM 1989 CB ARG A 136 11.595 -24.843 -4.359 1.00 0.00 C ATOM 1990 CG ARG A 136 13.027 -24.355 -4.217 1.00 0.00 C ATOM 1991 CD ARG A 136 13.980 -25.161 -5.085 1.00 0.00 C ATOM 1992 NE ARG A 136 15.211 -25.502 -4.377 1.00 0.00 N ATOM 1993 CZ ARG A 136 15.244 -26.244 -3.275 1.00 0.00 C ATOM 1994 NH1 ARG A 136 14.118 -26.719 -2.759 1.00 0.00 N ATOM 1995 NH2 ARG A 136 16.402 -26.511 -2.688 1.00 0.00 N ATOM 0 H ARG A 136 11.802 -24.071 -1.941 1.00 0.00 H new ATOM 0 HA ARG A 136 10.320 -23.116 -4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 136 11.526 -25.859 -3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 136 11.339 -24.889 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 136 13.083 -23.302 -4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 136 13.335 -24.426 -3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 136 13.486 -26.075 -5.413 1.00 0.00 H new ATOM 0 HD3 ARG A 136 14.224 -24.591 -5.981 1.00 0.00 H new ATOM 0 HE ARG A 136 16.094 -25.151 -4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 136 13.225 -26.515 -3.208 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.145 -27.288 -1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 136 17.269 -26.147 -3.082 1.00 0.00 H new ATOM 0 HH22 ARG A 136 16.426 -27.081 -1.842 1.00 0.00 H new ATOM 2009 N ASP A 137 8.474 -24.250 -2.457 1.00 0.00 N ATOM 2010 CA ASP A 137 7.224 -24.914 -2.104 1.00 0.00 C ATOM 2011 C ASP A 137 6.025 -24.038 -2.453 1.00 0.00 C ATOM 2012 O ASP A 137 5.070 -23.939 -1.683 1.00 0.00 O ATOM 2013 CB ASP A 137 7.206 -25.252 -0.612 1.00 0.00 C ATOM 2014 CG ASP A 137 7.663 -24.091 0.249 1.00 0.00 C ATOM 2015 OD1 ASP A 137 7.684 -22.950 -0.255 1.00 0.00 O ATOM 2016 OD2 ASP A 137 7.998 -24.325 1.430 1.00 0.00 O ATOM 0 H ASP A 137 8.646 -23.380 -1.954 1.00 0.00 H new ATOM 0 HA ASP A 137 7.157 -25.837 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 137 6.197 -25.542 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 137 7.850 -26.112 -0.429 1.00 0.00 H new ATOM 2021 N ASN A 138 6.082 -23.403 -3.620 1.00 0.00 N ATOM 2022 CA ASN A 138 5.001 -22.535 -4.071 1.00 0.00 C ATOM 2023 C ASN A 138 4.483 -21.671 -2.926 1.00 0.00 C ATOM 2024 O ASN A 138 3.284 -21.642 -2.650 1.00 0.00 O ATOM 2025 CB ASN A 138 3.858 -23.370 -4.653 1.00 0.00 C ATOM 2026 CG ASN A 138 2.991 -22.575 -5.610 1.00 0.00 C ATOM 2027 OD1 ASN A 138 2.575 -21.457 -5.307 1.00 0.00 O ATOM 2028 ND2 ASN A 138 2.714 -23.151 -6.774 1.00 0.00 N ATOM 0 H ASN A 138 6.865 -23.474 -4.270 1.00 0.00 H new ATOM 0 HA ASN A 138 5.395 -21.879 -4.847 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.271 -24.234 -5.174 1.00 0.00 H new ATOM 0 HB3 ASN A 138 3.241 -23.753 -3.840 1.00 0.00 H new ATOM 0 HD21 ASN A 138 2.135 -22.665 -7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 138 3.080 -24.080 -6.983 1.00 0.00 H new ATOM 2035 N MET A 139 5.396 -20.968 -2.263 1.00 0.00 N ATOM 2036 CA MET A 139 5.031 -20.102 -1.147 1.00 0.00 C ATOM 2037 C MET A 139 5.604 -18.701 -1.336 1.00 0.00 C ATOM 2038 O MET A 139 6.242 -18.155 -0.436 1.00 0.00 O ATOM 2039 CB MET A 139 5.529 -20.697 0.171 1.00 0.00 C ATOM 2040 CG MET A 139 4.414 -21.037 1.145 1.00 0.00 C ATOM 2041 SD MET A 139 4.997 -21.980 2.567 1.00 0.00 S ATOM 2042 CE MET A 139 3.444 -22.396 3.357 1.00 0.00 C ATOM 0 H MET A 139 6.393 -20.981 -2.479 1.00 0.00 H new ATOM 0 HA MET A 139 3.944 -20.029 -1.116 1.00 0.00 H new ATOM 0 HB2 MET A 139 6.102 -21.599 -0.041 1.00 0.00 H new ATOM 0 HB3 MET A 139 6.211 -19.990 0.644 1.00 0.00 H new ATOM 0 HG2 MET A 139 3.947 -20.116 1.492 1.00 0.00 H new ATOM 0 HG3 MET A 139 3.645 -21.609 0.626 1.00 0.00 H new ATOM 0 HE1 MET A 139 3.638 -22.982 4.255 1.00 0.00 H new ATOM 0 HE2 MET A 139 2.917 -21.481 3.627 1.00 0.00 H new ATOM 0 HE3 MET A 139 2.831 -22.979 2.670 1.00 0.00 H new ATOM 2052 N LYS A 140 5.370 -18.126 -2.511 1.00 0.00 N ATOM 2053 CA LYS A 140 5.862 -16.789 -2.818 1.00 0.00 C ATOM 2054 C LYS A 140 5.810 -15.892 -1.585 1.00 0.00 C ATOM 2055 O LYS A 140 4.808 -15.862 -0.871 1.00 0.00 O ATOM 2056 CB LYS A 140 5.040 -16.168 -3.949 1.00 0.00 C ATOM 2057 CG LYS A 140 5.829 -15.962 -5.232 1.00 0.00 C ATOM 2058 CD LYS A 140 5.485 -17.016 -6.273 1.00 0.00 C ATOM 2059 CE LYS A 140 6.321 -16.848 -7.532 1.00 0.00 C ATOM 2060 NZ LYS A 140 7.779 -16.826 -7.233 1.00 0.00 N ATOM 0 H LYS A 140 4.843 -18.565 -3.266 1.00 0.00 H new ATOM 0 HA LYS A 140 6.900 -16.876 -3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 140 4.183 -16.808 -4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 140 4.647 -15.208 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 140 5.620 -14.971 -5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 140 6.896 -15.999 -5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 140 5.650 -18.009 -5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 140 4.427 -16.948 -6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 140 6.105 -17.663 -8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 140 6.040 -15.922 -8.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 8.315 -17.016 -8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 8.043 -15.891 -6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 7.999 -17.555 -6.525 1.00 0.00 H new ATOM 2074 N TRP A 141 6.896 -15.166 -1.341 1.00 0.00 N ATOM 2075 CA TRP A 141 6.973 -14.269 -0.193 1.00 0.00 C ATOM 2076 C TRP A 141 7.706 -12.982 -0.557 1.00 0.00 C ATOM 2077 O TRP A 141 8.259 -12.858 -1.648 1.00 0.00 O ATOM 2078 CB TRP A 141 7.685 -14.960 0.971 1.00 0.00 C ATOM 2079 CG TRP A 141 9.111 -15.312 0.670 1.00 0.00 C ATOM 2080 CD1 TRP A 141 9.568 -16.473 0.118 1.00 0.00 C ATOM 2081 CD2 TRP A 141 10.265 -14.496 0.904 1.00 0.00 C ATOM 2082 NE1 TRP A 141 10.935 -16.432 -0.004 1.00 0.00 N ATOM 2083 CE2 TRP A 141 11.387 -15.228 0.470 1.00 0.00 C ATOM 2084 CE3 TRP A 141 10.460 -13.219 1.436 1.00 0.00 C ATOM 2085 CZ2 TRP A 141 12.682 -14.725 0.554 1.00 0.00 C ATOM 2086 CZ3 TRP A 141 11.746 -12.721 1.517 1.00 0.00 C ATOM 2087 CH2 TRP A 141 12.843 -13.473 1.077 1.00 0.00 C ATOM 0 H TRP A 141 7.734 -15.181 -1.922 1.00 0.00 H new ATOM 0 HA TRP A 141 5.957 -14.016 0.108 1.00 0.00 H new ATOM 0 HB2 TRP A 141 7.656 -14.308 1.844 1.00 0.00 H new ATOM 0 HB3 TRP A 141 7.142 -15.868 1.233 1.00 0.00 H new ATOM 0 HD1 TRP A 141 8.945 -17.304 -0.180 1.00 0.00 H new ATOM 0 HE1 TRP A 141 11.519 -17.176 -0.385 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.621 -12.632 1.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 13.530 -15.304 0.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 11.908 -11.735 1.927 1.00 0.00 H new ATOM 0 HH2 TRP A 141 13.836 -13.055 1.153 1.00 0.00 H new ATOM 2098 N CYS A 142 7.712 -12.027 0.366 1.00 0.00 N ATOM 2099 CA CYS A 142 8.382 -10.754 0.139 1.00 0.00 C ATOM 2100 C CYS A 142 8.817 -10.124 1.455 1.00 0.00 C ATOM 2101 O CYS A 142 8.473 -10.610 2.532 1.00 0.00 O ATOM 2102 CB CYS A 142 7.464 -9.792 -0.618 1.00 0.00 C ATOM 2103 SG CYS A 142 5.775 -9.687 0.055 1.00 0.00 S ATOM 0 H CYS A 142 7.261 -12.111 1.277 1.00 0.00 H new ATOM 0 HA CYS A 142 9.270 -10.947 -0.463 1.00 0.00 H new ATOM 0 HB2 CYS A 142 7.910 -8.797 -0.607 1.00 0.00 H new ATOM 0 HB3 CYS A 142 7.409 -10.105 -1.661 1.00 0.00 H new ATOM 2108 N GLY A 143 9.577 -9.040 1.359 1.00 0.00 N ATOM 2109 CA GLY A 143 10.047 -8.358 2.547 1.00 0.00 C ATOM 2110 C GLY A 143 9.055 -7.332 3.057 1.00 0.00 C ATOM 2111 O GLY A 143 8.627 -6.447 2.314 1.00 0.00 O ATOM 0 H GLY A 143 9.876 -8.622 0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.242 -9.091 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.995 -7.865 2.329 1.00 0.00 H new ATOM 2115 N THR A 144 8.689 -7.448 4.327 1.00 0.00 N ATOM 2116 CA THR A 144 7.745 -6.521 4.935 1.00 0.00 C ATOM 2117 C THR A 144 8.406 -5.175 5.214 1.00 0.00 C ATOM 2118 O THR A 144 7.765 -4.248 5.709 1.00 0.00 O ATOM 2119 CB THR A 144 7.173 -7.085 6.248 1.00 0.00 C ATOM 2120 OG1 THR A 144 8.176 -7.846 6.931 1.00 0.00 O ATOM 2121 CG2 THR A 144 5.963 -7.964 5.974 1.00 0.00 C ATOM 0 H THR A 144 9.032 -8.175 4.955 1.00 0.00 H new ATOM 0 HA THR A 144 6.930 -6.383 4.225 1.00 0.00 H new ATOM 0 HB THR A 144 6.862 -6.249 6.874 1.00 0.00 H new ATOM 0 HG1 THR A 144 8.956 -7.278 7.105 1.00 0.00 H new ATOM 0 HG21 THR A 144 5.575 -8.352 6.916 1.00 0.00 H new ATOM 0 HG22 THR A 144 5.191 -7.376 5.478 1.00 0.00 H new ATOM 0 HG23 THR A 144 6.255 -8.795 5.332 1.00 0.00 H new ATOM 2129 N THR A 145 9.693 -5.076 4.889 1.00 0.00 N ATOM 2130 CA THR A 145 10.444 -3.847 5.099 1.00 0.00 C ATOM 2131 C THR A 145 11.320 -3.536 3.889 1.00 0.00 C ATOM 2132 O THR A 145 11.555 -4.400 3.045 1.00 0.00 O ATOM 2133 CB THR A 145 11.327 -3.938 6.357 1.00 0.00 C ATOM 2134 OG1 THR A 145 12.456 -4.783 6.103 1.00 0.00 O ATOM 2135 CG2 THR A 145 10.534 -4.483 7.536 1.00 0.00 C ATOM 0 H THR A 145 10.236 -5.836 4.478 1.00 0.00 H new ATOM 0 HA THR A 145 9.719 -3.044 5.237 1.00 0.00 H new ATOM 0 HB THR A 145 11.673 -2.935 6.605 1.00 0.00 H new ATOM 0 HG1 THR A 145 13.254 -4.397 6.520 1.00 0.00 H new ATOM 0 HG21 THR A 145 11.178 -4.538 8.413 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.692 -3.823 7.745 1.00 0.00 H new ATOM 0 HG23 THR A 145 10.162 -5.479 7.295 1.00 0.00 H new ATOM 2143 N GLN A 146 11.794 -2.298 3.806 1.00 0.00 N ATOM 2144 CA GLN A 146 12.638 -1.876 2.694 1.00 0.00 C ATOM 2145 C GLN A 146 13.728 -2.907 2.406 1.00 0.00 C ATOM 2146 O GLN A 146 14.242 -2.987 1.290 1.00 0.00 O ATOM 2147 CB GLN A 146 13.267 -0.513 2.994 1.00 0.00 C ATOM 2148 CG GLN A 146 14.575 -0.601 3.762 1.00 0.00 C ATOM 2149 CD GLN A 146 15.783 -0.310 2.893 1.00 0.00 C ATOM 2150 OE1 GLN A 146 15.675 -0.618 1.606 1.00 0.00 O flip ATOM 2151 NE2 GLN A 146 16.802 0.187 3.373 1.00 0.00 N flip ATOM 0 H GLN A 146 11.608 -1.569 4.495 1.00 0.00 H new ATOM 0 HA GLN A 146 12.010 -1.791 1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 146 13.442 0.011 2.055 1.00 0.00 H new ATOM 0 HB3 GLN A 146 12.559 0.086 3.567 1.00 0.00 H new ATOM 0 HG2 GLN A 146 14.552 0.104 4.593 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.673 -1.598 4.192 1.00 0.00 H new ATOM 0 HE21 GLN A 146 16.842 0.408 4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 146 17.607 0.378 2.776 1.00 0.00 H new ATOM 2160 N ASN A 147 14.074 -3.693 3.420 1.00 0.00 N ATOM 2161 CA ASN A 147 15.100 -4.721 3.280 1.00 0.00 C ATOM 2162 C ASN A 147 14.733 -5.965 4.085 1.00 0.00 C ATOM 2163 O ASN A 147 14.930 -6.016 5.298 1.00 0.00 O ATOM 2164 CB ASN A 147 16.457 -4.179 3.732 1.00 0.00 C ATOM 2165 CG ASN A 147 17.167 -3.408 2.637 1.00 0.00 C ATOM 2166 OD1 ASN A 147 16.536 -2.890 1.717 1.00 0.00 O ATOM 2167 ND2 ASN A 147 18.490 -3.329 2.732 1.00 0.00 N ATOM 0 H ASN A 147 13.658 -3.638 4.350 1.00 0.00 H new ATOM 0 HA ASN A 147 15.165 -5.000 2.228 1.00 0.00 H new ATOM 0 HB2 ASN A 147 16.316 -3.530 4.596 1.00 0.00 H new ATOM 0 HB3 ASN A 147 17.087 -5.008 4.055 1.00 0.00 H new ATOM 0 HD21 ASN A 147 19.023 -2.823 2.024 1.00 0.00 H new ATOM 0 HD22 ASN A 147 18.973 -3.774 3.513 1.00 0.00 H new ATOM 2174 N TYR A 148 14.189 -6.967 3.401 1.00 0.00 N ATOM 2175 CA TYR A 148 13.789 -8.208 4.053 1.00 0.00 C ATOM 2176 C TYR A 148 14.894 -8.722 4.971 1.00 0.00 C ATOM 2177 O TYR A 148 14.694 -8.869 6.177 1.00 0.00 O ATOM 2178 CB TYR A 148 13.441 -9.269 3.006 1.00 0.00 C ATOM 2179 CG TYR A 148 13.505 -10.686 3.529 1.00 0.00 C ATOM 2180 CD1 TYR A 148 12.727 -11.088 4.607 1.00 0.00 C ATOM 2181 CD2 TYR A 148 14.346 -11.623 2.944 1.00 0.00 C ATOM 2182 CE1 TYR A 148 12.785 -12.383 5.085 1.00 0.00 C ATOM 2183 CE2 TYR A 148 14.410 -12.919 3.415 1.00 0.00 C ATOM 2184 CZ TYR A 148 13.628 -13.295 4.485 1.00 0.00 C ATOM 2185 OH TYR A 148 13.687 -14.585 4.958 1.00 0.00 O ATOM 0 H TYR A 148 14.015 -6.943 2.396 1.00 0.00 H new ATOM 0 HA TYR A 148 12.906 -8.003 4.659 1.00 0.00 H new ATOM 0 HB2 TYR A 148 12.437 -9.077 2.627 1.00 0.00 H new ATOM 0 HB3 TYR A 148 14.124 -9.172 2.163 1.00 0.00 H new ATOM 0 HD1 TYR A 148 12.066 -10.377 5.079 1.00 0.00 H new ATOM 0 HD2 TYR A 148 14.961 -11.333 2.105 1.00 0.00 H new ATOM 0 HE1 TYR A 148 12.173 -12.680 5.924 1.00 0.00 H new ATOM 0 HE2 TYR A 148 15.070 -13.635 2.947 1.00 0.00 H new ATOM 0 HH TYR A 148 14.328 -15.100 4.425 1.00 0.00 H new ATOM 2195 N ASP A 149 16.059 -8.993 4.394 1.00 0.00 N ATOM 2196 CA ASP A 149 17.196 -9.489 5.161 1.00 0.00 C ATOM 2197 C ASP A 149 17.610 -8.483 6.230 1.00 0.00 C ATOM 2198 O ASP A 149 18.376 -8.807 7.138 1.00 0.00 O ATOM 2199 CB ASP A 149 18.376 -9.783 4.234 1.00 0.00 C ATOM 2200 CG ASP A 149 19.684 -9.920 4.988 1.00 0.00 C ATOM 2201 OD1 ASP A 149 19.736 -10.719 5.946 1.00 0.00 O ATOM 2202 OD2 ASP A 149 20.656 -9.227 4.621 1.00 0.00 O ATOM 0 H ASP A 149 16.241 -8.878 3.397 1.00 0.00 H new ATOM 0 HA ASP A 149 16.894 -10.413 5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 149 18.180 -10.702 3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 149 18.465 -8.983 3.499 1.00 0.00 H new ATOM 2207 N ALA A 150 17.099 -7.263 6.114 1.00 0.00 N ATOM 2208 CA ALA A 150 17.416 -6.207 7.069 1.00 0.00 C ATOM 2209 C ALA A 150 16.471 -6.246 8.266 1.00 0.00 C ATOM 2210 O ALA A 150 16.780 -5.714 9.331 1.00 0.00 O ATOM 2211 CB ALA A 150 17.352 -4.848 6.389 1.00 0.00 C ATOM 0 H ALA A 150 16.463 -6.980 5.368 1.00 0.00 H new ATOM 0 HA ALA A 150 18.429 -6.373 7.435 1.00 0.00 H new ATOM 0 HB1 ALA A 150 17.590 -4.068 7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 150 18.071 -4.816 5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 150 16.348 -4.684 5.997 1.00 0.00 H new ATOM 2217 N ASP A 151 15.315 -6.880 8.082 1.00 0.00 N ATOM 2218 CA ASP A 151 14.325 -6.986 9.148 1.00 0.00 C ATOM 2219 C ASP A 151 14.152 -8.435 9.590 1.00 0.00 C ATOM 2220 O ASP A 151 13.963 -8.714 10.774 1.00 0.00 O ATOM 2221 CB ASP A 151 12.983 -6.419 8.683 1.00 0.00 C ATOM 2222 CG ASP A 151 11.869 -6.683 9.677 1.00 0.00 C ATOM 2223 OD1 ASP A 151 11.567 -7.867 9.930 1.00 0.00 O ATOM 2224 OD2 ASP A 151 11.297 -5.704 10.201 1.00 0.00 O ATOM 0 H ASP A 151 15.042 -7.327 7.206 1.00 0.00 H new ATOM 0 HA ASP A 151 14.682 -6.407 9.999 1.00 0.00 H new ATOM 0 HB2 ASP A 151 13.080 -5.345 8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 151 12.720 -6.858 7.721 1.00 0.00 H new ATOM 2229 N GLN A 152 14.217 -9.354 8.631 1.00 0.00 N ATOM 2230 CA GLN A 152 14.066 -10.776 8.920 1.00 0.00 C ATOM 2231 C GLN A 152 12.594 -11.178 8.936 1.00 0.00 C ATOM 2232 O GLN A 152 12.247 -12.283 9.353 1.00 0.00 O ATOM 2233 CB GLN A 152 14.715 -11.118 10.263 1.00 0.00 C ATOM 2234 CG GLN A 152 15.269 -12.532 10.329 1.00 0.00 C ATOM 2235 CD GLN A 152 16.779 -12.572 10.200 1.00 0.00 C ATOM 2236 OE1 GLN A 152 17.502 -12.429 11.186 1.00 0.00 O ATOM 2237 NE2 GLN A 152 17.264 -12.767 8.979 1.00 0.00 N ATOM 0 H GLN A 152 14.373 -9.139 7.646 1.00 0.00 H new ATOM 0 HA GLN A 152 14.567 -11.335 8.129 1.00 0.00 H new ATOM 0 HB2 GLN A 152 15.522 -10.411 10.458 1.00 0.00 H new ATOM 0 HB3 GLN A 152 13.979 -10.988 11.056 1.00 0.00 H new ATOM 0 HG2 GLN A 152 14.976 -12.989 11.274 1.00 0.00 H new ATOM 0 HG3 GLN A 152 14.824 -13.130 9.534 1.00 0.00 H new ATOM 0 HE21 GLN A 152 16.628 -12.881 8.190 1.00 0.00 H new ATOM 0 HE22 GLN A 152 18.273 -12.803 8.831 1.00 0.00 H new ATOM 2246 N LYS A 153 11.733 -10.275 8.477 1.00 0.00 N ATOM 2247 CA LYS A 153 10.298 -10.538 8.437 1.00 0.00 C ATOM 2248 C LYS A 153 9.818 -10.694 6.998 1.00 0.00 C ATOM 2249 O LYS A 153 10.031 -9.815 6.163 1.00 0.00 O ATOM 2250 CB LYS A 153 9.532 -9.407 9.124 1.00 0.00 C ATOM 2251 CG LYS A 153 9.645 -9.427 10.640 1.00 0.00 C ATOM 2252 CD LYS A 153 9.149 -8.129 11.254 1.00 0.00 C ATOM 2253 CE LYS A 153 7.924 -8.358 12.125 1.00 0.00 C ATOM 2254 NZ LYS A 153 8.280 -8.469 13.566 1.00 0.00 N ATOM 0 H LYS A 153 12.003 -9.356 8.128 1.00 0.00 H new ATOM 0 HA LYS A 153 10.107 -11.470 8.969 1.00 0.00 H new ATOM 0 HB2 LYS A 153 9.902 -8.451 8.753 1.00 0.00 H new ATOM 0 HB3 LYS A 153 8.480 -9.471 8.846 1.00 0.00 H new ATOM 0 HG2 LYS A 153 9.068 -10.262 11.038 1.00 0.00 H new ATOM 0 HG3 LYS A 153 10.684 -9.592 10.926 1.00 0.00 H new ATOM 0 HD2 LYS A 153 9.943 -7.681 11.851 1.00 0.00 H new ATOM 0 HD3 LYS A 153 8.907 -7.420 10.462 1.00 0.00 H new ATOM 0 HE2 LYS A 153 7.222 -7.536 11.987 1.00 0.00 H new ATOM 0 HE3 LYS A 153 7.416 -9.268 11.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 7.417 -8.625 14.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 8.930 -9.269 13.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 8.741 -7.591 13.878 1.00 0.00 H new ATOM 2268 N PHE A 154 9.169 -11.819 6.714 1.00 0.00 N ATOM 2269 CA PHE A 154 8.661 -12.088 5.374 1.00 0.00 C ATOM 2270 C PHE A 154 7.210 -12.555 5.419 1.00 0.00 C ATOM 2271 O PHE A 154 6.728 -13.018 6.452 1.00 0.00 O ATOM 2272 CB PHE A 154 9.531 -13.139 4.678 1.00 0.00 C ATOM 2273 CG PHE A 154 9.111 -14.555 4.953 1.00 0.00 C ATOM 2274 CD1 PHE A 154 7.983 -15.087 4.348 1.00 0.00 C ATOM 2275 CD2 PHE A 154 9.846 -15.355 5.812 1.00 0.00 C ATOM 2276 CE1 PHE A 154 7.596 -16.392 4.597 1.00 0.00 C ATOM 2277 CE2 PHE A 154 9.464 -16.659 6.066 1.00 0.00 C ATOM 2278 CZ PHE A 154 8.339 -17.177 5.457 1.00 0.00 C ATOM 0 H PHE A 154 8.983 -12.557 7.393 1.00 0.00 H new ATOM 0 HA PHE A 154 8.701 -11.159 4.806 1.00 0.00 H new ATOM 0 HB2 PHE A 154 9.504 -12.965 3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 154 10.565 -13.009 4.996 1.00 0.00 H new ATOM 0 HD1 PHE A 154 7.400 -14.476 3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 154 10.728 -14.955 6.289 1.00 0.00 H new ATOM 0 HE1 PHE A 154 6.715 -16.796 4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 154 10.045 -17.271 6.740 1.00 0.00 H new ATOM 0 HZ PHE A 154 8.040 -18.196 5.653 1.00 0.00 H new ATOM 2288 N GLY A 155 6.520 -12.430 4.290 1.00 0.00 N ATOM 2289 CA GLY A 155 5.132 -12.842 4.218 1.00 0.00 C ATOM 2290 C GLY A 155 4.755 -13.367 2.847 1.00 0.00 C ATOM 2291 O GLY A 155 5.369 -13.001 1.845 1.00 0.00 O ATOM 0 H GLY A 155 6.899 -12.050 3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 155 4.946 -13.615 4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 155 4.491 -11.997 4.469 1.00 0.00 H new ATOM 2295 N PHE A 156 3.743 -14.225 2.801 1.00 0.00 N ATOM 2296 CA PHE A 156 3.286 -14.800 1.542 1.00 0.00 C ATOM 2297 C PHE A 156 2.497 -13.774 0.735 1.00 0.00 C ATOM 2298 O PHE A 156 2.034 -12.772 1.274 1.00 0.00 O ATOM 2299 CB PHE A 156 2.426 -16.037 1.804 1.00 0.00 C ATOM 2300 CG PHE A 156 3.111 -17.072 2.650 1.00 0.00 C ATOM 2301 CD1 PHE A 156 4.394 -17.497 2.343 1.00 0.00 C ATOM 2302 CD2 PHE A 156 2.474 -17.617 3.753 1.00 0.00 C ATOM 2303 CE1 PHE A 156 5.029 -18.447 3.120 1.00 0.00 C ATOM 2304 CE2 PHE A 156 3.104 -18.569 4.533 1.00 0.00 C ATOM 2305 CZ PHE A 156 4.383 -18.984 4.216 1.00 0.00 C ATOM 0 H PHE A 156 3.223 -14.538 3.621 1.00 0.00 H new ATOM 0 HA PHE A 156 4.162 -15.095 0.964 1.00 0.00 H new ATOM 0 HB2 PHE A 156 1.502 -15.731 2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.147 -16.485 0.850 1.00 0.00 H new ATOM 0 HD1 PHE A 156 4.903 -17.081 1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 156 1.475 -17.295 4.006 1.00 0.00 H new ATOM 0 HE1 PHE A 156 6.029 -18.769 2.870 1.00 0.00 H new ATOM 0 HE2 PHE A 156 2.597 -18.988 5.389 1.00 0.00 H new ATOM 0 HZ PHE A 156 4.877 -19.727 4.824 1.00 0.00 H new ATOM 2315 N CYS A 157 2.350 -14.031 -0.559 1.00 0.00 N ATOM 2316 CA CYS A 157 1.621 -13.124 -1.439 1.00 0.00 C ATOM 2317 C CYS A 157 0.140 -13.481 -1.488 1.00 0.00 C ATOM 2318 O CYS A 157 -0.226 -14.639 -1.686 1.00 0.00 O ATOM 2319 CB CYS A 157 2.212 -13.165 -2.850 1.00 0.00 C ATOM 2320 SG CYS A 157 2.254 -11.547 -3.686 1.00 0.00 S ATOM 0 H CYS A 157 2.725 -14.859 -1.022 1.00 0.00 H new ATOM 0 HA CYS A 157 1.719 -12.115 -1.038 1.00 0.00 H new ATOM 0 HB2 CYS A 157 3.226 -13.561 -2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 157 1.631 -13.860 -3.456 1.00 0.00 H new ATOM 2325 N PRO A 158 -0.732 -12.479 -1.309 1.00 0.00 N ATOM 2326 CA PRO A 158 -2.186 -12.676 -1.333 1.00 0.00 C ATOM 2327 C PRO A 158 -2.695 -13.059 -2.718 1.00 0.00 C ATOM 2328 O PRO A 158 -3.162 -12.208 -3.475 1.00 0.00 O ATOM 2329 CB PRO A 158 -2.740 -11.311 -0.916 1.00 0.00 C ATOM 2330 CG PRO A 158 -1.666 -10.341 -1.270 1.00 0.00 C ATOM 2331 CD PRO A 158 -0.368 -11.071 -1.070 1.00 0.00 C ATOM 0 HA PRO A 158 -2.497 -13.492 -0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -3.668 -11.083 -1.441 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -2.962 -11.283 0.151 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -1.769 -10.003 -2.301 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -1.717 -9.454 -0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.397 -10.729 -1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 158 0.027 -10.922 -0.065 1.00 0.00 H new ATOM 2339 N MET A 159 -2.601 -14.344 -3.043 1.00 0.00 N ATOM 2340 CA MET A 159 -3.053 -14.840 -4.339 1.00 0.00 C ATOM 2341 C MET A 159 -4.284 -15.726 -4.182 1.00 0.00 C ATOM 2342 O MET A 159 -4.186 -16.867 -3.734 1.00 0.00 O ATOM 2343 CB MET A 159 -1.932 -15.619 -5.029 1.00 0.00 C ATOM 2344 CG MET A 159 -1.345 -14.902 -6.233 1.00 0.00 C ATOM 2345 SD MET A 159 0.309 -15.488 -6.652 1.00 0.00 S ATOM 2346 CE MET A 159 0.678 -14.469 -8.078 1.00 0.00 C ATOM 0 H MET A 159 -2.216 -15.061 -2.428 1.00 0.00 H new ATOM 0 HA MET A 159 -3.322 -13.982 -4.956 1.00 0.00 H new ATOM 0 HB2 MET A 159 -1.137 -15.811 -4.308 1.00 0.00 H new ATOM 0 HB3 MET A 159 -2.316 -16.589 -5.346 1.00 0.00 H new ATOM 0 HG2 MET A 159 -2.004 -15.041 -7.090 1.00 0.00 H new ATOM 0 HG3 MET A 159 -1.307 -13.832 -6.031 1.00 0.00 H new ATOM 0 HE1 MET A 159 1.672 -14.714 -8.453 1.00 0.00 H new ATOM 0 HE2 MET A 159 -0.060 -14.654 -8.858 1.00 0.00 H new ATOM 0 HE3 MET A 159 0.648 -13.418 -7.792 1.00 0.00 H new ATOM 2356 N ALA A 160 -5.442 -15.192 -4.556 1.00 0.00 N ATOM 2357 CA ALA A 160 -6.693 -15.934 -4.458 1.00 0.00 C ATOM 2358 C ALA A 160 -7.588 -15.665 -5.663 1.00 0.00 C ATOM 2359 O ALA A 160 -7.827 -16.609 -6.443 1.00 0.00 O ATOM 2360 CB ALA A 160 -7.418 -15.577 -3.169 1.00 0.00 C ATOM 2361 OXT ALA A 160 -8.041 -14.511 -5.816 1.00 0.00 O ATOM 0 H ALA A 160 -5.540 -14.248 -4.930 1.00 0.00 H new ATOM 0 HA ALA A 160 -6.456 -16.998 -4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 160 -8.351 -16.138 -3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 160 -6.788 -15.828 -2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 160 -7.636 -14.509 -3.158 1.00 0.00 H new TER 2367 ALA A 160 HETATM 2368 C1 NAG A 161 19.549 -3.946 -7.041 1.00 0.00 C HETATM 2369 C2 NAG A 161 20.714 -4.708 -6.437 1.00 0.00 C HETATM 2370 C3 NAG A 161 21.890 -4.658 -7.399 1.00 0.00 C HETATM 2371 C4 NAG A 161 21.501 -5.296 -8.754 1.00 0.00 C HETATM 2372 C5 NAG A 161 20.278 -4.484 -9.318 1.00 0.00 C HETATM 2373 C6 NAG A 161 19.756 -5.067 -10.642 1.00 0.00 C HETATM 2374 C7 NAG A 161 21.529 -4.920 -4.157 1.00 0.00 C HETATM 2375 C8 NAG A 161 21.916 -4.201 -2.868 1.00 0.00 C HETATM 2376 N2 NAG A 161 21.111 -4.151 -5.154 1.00 0.00 N HETATM 2377 O3 NAG A 161 22.985 -5.366 -6.844 1.00 0.00 O HETATM 2378 O4 NAG A 161 22.638 -5.222 -9.605 1.00 0.00 O HETATM 2379 O5 NAG A 161 19.212 -4.508 -8.325 1.00 0.00 O HETATM 2380 O6 NAG A 161 20.758 -4.898 -11.643 1.00 0.00 O HETATM 2381 O7 NAG A 161 21.604 -6.143 -4.253 1.00 0.00 O HETATM 0 HO6 NAG A 161 20.438 -5.268 -12.492 1.00 0.00 H new HETATM 0 HO4 NAG A 161 22.345 -5.126 -10.535 1.00 0.00 H new HETATM 0 HO3 NAG A 161 23.490 -5.802 -7.562 1.00 0.00 H new HETATM 0 HN2 NAG A 161 21.067 -3.141 -5.017 1.00 0.00 H new HETATM 0 H83 NAG A 161 22.729 -3.504 -3.070 1.00 0.00 H new HETATM 0 H82 NAG A 161 21.055 -3.653 -2.484 1.00 0.00 H new HETATM 0 H81 NAG A 161 22.241 -4.932 -2.127 1.00 0.00 H new HETATM 0 H62 NAG A 161 19.517 -6.124 -10.521 1.00 0.00 H new HETATM 0 H61 NAG A 161 18.836 -4.564 -10.940 1.00 0.00 H new HETATM 0 H5 NAG A 161 20.606 -3.464 -9.519 1.00 0.00 H new HETATM 0 H4 NAG A 161 21.209 -6.343 -8.667 1.00 0.00 H new HETATM 0 H3 NAG A 161 22.168 -3.617 -7.563 1.00 0.00 H new HETATM 0 H2 NAG A 161 20.401 -5.739 -6.270 1.00 0.00 H new