USER MOD reduce.3.24.130724 H: found=0, std=0, add=1133, rem=0, adj=53 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 138 ASN : amide:sc= -0.114 K(o=-0.38,f=-17!) USER MOD Set 1.2: A 140 LYS NZ :NH3+ 148:sc= -0.269! (180deg=-2.09!) USER MOD Set 2.1: A 51 SER OG : rot -140:sc= -0.0523 USER MOD Set 2.2: A 84 THR OG1 : rot -145:sc= -9.5! USER MOD Set 3.1: A 47 TYR OH : rot 180:sc= 0.67 USER MOD Set 3.2: A 79 HIS : no HE2:sc= -1.91 K(o=-1.2,f=-15!) USER MOD Set 4.1: A 69 SER OG : rot 92:sc= 1.19 USER MOD Set 4.2: A 100 HIS :FLIP no HE2:sc= -1.01 F(o=-5.3,f=0.18) USER MOD Set 5.1: A 44 THR OG1 : rot 180:sc= -2.16! USER MOD Set 5.2: A 98 THR OG1 : rot -7:sc= 0.666! USER MOD Set 6.1: A 1 TYR N :NH3+ -170:sc= 0 (180deg=-0.102) USER MOD Set 6.2: A 34 ASN : amide:sc= -0.378 K(o=-0.38,f=-3.1!) USER MOD Set 7.1: A 16 MET CE :methyl -169:sc= -12.1! (180deg=-9.11!) USER MOD Set 7.2: A 144 THR OG1 : rot -100:sc= -4.2! USER MOD Set 8.1: A 13 SER OG : rot -120:sc= 0.0384! USER MOD Set 8.2: A 153 LYS NZ :NH3+ -102:sc= -3.9! (180deg=-4.12!) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -2.85! C(o=-2.8!,f=-4.5!) USER MOD Single : A 6 THR OG1 : rot 170:sc= -1.91! USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 24:sc= 1.07 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0541 X(o=-0.054,f=-0.43) USER MOD Single : A 24 ASN : amide:sc= -1.16! C(o=-1.2!,f=-0.99!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.75 K(o=-1.7,f=-2.8!) USER MOD Single : A 27 MET CE :methyl 154:sc= -10.5! (180deg=-11.9!) USER MOD Single : A 30 THR OG1 : rot 140:sc= -7.05! USER MOD Single : A 37 SER OG : rot -17:sc= -2.75! USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 41 THR OG1 : rot 62:sc= 0.115 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 169:sc= 1.06 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -3.57! C(o=-3.6!,f=-9!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0351 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -10.5! C(o=-11!,f=-12!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 167:sc= 0.0755 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00158 USER MOD Single : A 76 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.018) USER MOD Single : A 83 SER OG : rot 140:sc= -2.76! USER MOD Single : A 85 THR OG1 : rot 48:sc= -0.968 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 88 TYR OH : rot 133:sc= 0.407 USER MOD Single : A 90 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 92 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.0091) 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 -126:sc= -4.17! USER MOD Single : A 101 THR OG1 : rot 30:sc= 0.0146 USER MOD Single : A 105 GLN :FLIP amide:sc= -1.05 F(o=-1.9,f=-1) USER MOD Single : A 106 THR OG1 : rot 62:sc= -2.51! USER MOD Single : A 110 ASN : amide:sc= -2.01 K(o=-2,f=-4.8!) USER MOD Single : A 111 SER OG : rot 64:sc= -0.403 USER MOD Single : A 112 ASN : amide:sc= -0.821 K(o=-0.82,f=-2!) USER MOD Single : A 117 HIS : no HE2:sc= -11.2! C(o=-11!,f=-13!) USER MOD Single : A 122 TYR OH : rot 158:sc= 0.204 USER MOD Single : A 123 ASN : amide:sc= -3.36 K(o=-3.4,f=-9.3!) USER MOD Single : A 124 ASN :FLIP amide:sc= -3.41! C(o=-4!,f=-3.4!) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= -4! USER MOD Single : A 131 THR OG1 : rot 140:sc= 0.265 USER MOD Single : A 132 SER OG : rot 180:sc= -0.559 USER MOD Single : A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 147 ASN : amide:sc= -1.77 K(o=-1.8,f=-8.1!) 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 157:sc= 0.0319 USER MOD Single : A 161 NAG O4 : rot 170:sc= 0.0306 USER MOD Single : A 161 NAG O6 : rot 180:sc= -0.0885 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 7.362 0.002 23.464 1.00 0.00 N ATOM 2 CA TYR A 1 8.187 -1.127 23.968 1.00 0.00 C ATOM 3 C TYR A 1 8.860 -1.872 22.821 1.00 0.00 C ATOM 4 O TYR A 1 10.003 -2.313 22.941 1.00 0.00 O ATOM 5 CB TYR A 1 7.282 -2.076 24.756 1.00 0.00 C ATOM 6 CG TYR A 1 8.006 -3.281 25.312 1.00 0.00 C ATOM 7 CD1 TYR A 1 9.394 -3.307 25.389 1.00 0.00 C ATOM 8 CD2 TYR A 1 7.304 -4.391 25.761 1.00 0.00 C ATOM 9 CE1 TYR A 1 10.059 -4.407 25.897 1.00 0.00 C ATOM 10 CE2 TYR A 1 7.962 -5.495 26.271 1.00 0.00 C ATOM 11 CZ TYR A 1 9.339 -5.497 26.336 1.00 0.00 C ATOM 12 OH TYR A 1 9.999 -6.593 26.844 1.00 0.00 O ATOM 0 H1 TYR A 1 7.054 0.591 24.264 1.00 0.00 H new ATOM 0 H2 TYR A 1 7.926 0.578 22.807 1.00 0.00 H new ATOM 0 H3 TYR A 1 6.528 -0.372 22.969 1.00 0.00 H new ATOM 0 HA TYR A 1 8.975 -0.737 24.612 1.00 0.00 H new ATOM 0 HB2 TYR A 1 6.823 -1.527 25.578 1.00 0.00 H new ATOM 0 HB3 TYR A 1 6.474 -2.415 24.108 1.00 0.00 H new ATOM 0 HD1 TYR A 1 9.961 -2.454 25.046 1.00 0.00 H new ATOM 0 HD2 TYR A 1 6.225 -4.392 25.711 1.00 0.00 H new ATOM 0 HE1 TYR A 1 11.138 -4.412 25.950 1.00 0.00 H new ATOM 0 HE2 TYR A 1 7.401 -6.351 26.616 1.00 0.00 H new ATOM 0 HH TYR A 1 9.346 -7.274 27.110 1.00 0.00 H new ATOM 24 N GLY A 2 8.146 -2.010 21.709 1.00 0.00 N ATOM 25 CA GLY A 2 8.691 -2.702 20.557 1.00 0.00 C ATOM 26 C GLY A 2 7.612 -3.302 19.676 1.00 0.00 C ATOM 27 O GLY A 2 6.636 -3.862 20.173 1.00 0.00 O ATOM 0 H GLY A 2 7.198 -1.654 21.585 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.290 -2.007 19.969 1.00 0.00 H new ATOM 0 HA3 GLY A 2 9.361 -3.493 20.895 1.00 0.00 H new ATOM 31 N HIS A 3 7.790 -3.184 18.365 1.00 0.00 N ATOM 32 CA HIS A 3 6.824 -3.718 17.412 1.00 0.00 C ATOM 33 C HIS A 3 5.450 -3.093 17.620 1.00 0.00 C ATOM 34 O HIS A 3 5.332 -1.984 18.141 1.00 0.00 O ATOM 35 CB HIS A 3 6.727 -5.238 17.546 1.00 0.00 C ATOM 36 CG HIS A 3 7.923 -5.862 18.194 1.00 0.00 C ATOM 37 ND1 HIS A 3 9.187 -5.313 18.134 1.00 0.00 N ATOM 38 CD2 HIS A 3 8.043 -6.997 18.922 1.00 0.00 C ATOM 39 CE1 HIS A 3 10.032 -6.084 18.795 1.00 0.00 C ATOM 40 NE2 HIS A 3 9.362 -7.112 19.283 1.00 0.00 N ATOM 0 H HIS A 3 8.594 -2.724 17.938 1.00 0.00 H new ATOM 0 HA HIS A 3 7.170 -3.469 16.409 1.00 0.00 H new ATOM 0 HB2 HIS A 3 5.839 -5.487 18.127 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.593 -5.673 16.556 1.00 0.00 H new ATOM 0 HD2 HIS A 3 7.248 -7.684 19.172 1.00 0.00 H new ATOM 0 HE1 HIS A 3 11.090 -5.904 18.916 1.00 0.00 H new ATOM 0 HE2 HIS A 3 9.760 -7.869 19.838 1.00 0.00 H new ATOM 49 N CYS A 4 4.413 -3.816 17.210 1.00 0.00 N ATOM 50 CA CYS A 4 3.043 -3.337 17.352 1.00 0.00 C ATOM 51 C CYS A 4 2.061 -4.504 17.337 1.00 0.00 C ATOM 52 O CYS A 4 1.465 -4.815 16.306 1.00 0.00 O ATOM 53 CB CYS A 4 2.707 -2.354 16.231 1.00 0.00 C ATOM 54 SG CYS A 4 3.662 -0.804 16.298 1.00 0.00 S ATOM 0 H CYS A 4 4.495 -4.736 16.777 1.00 0.00 H new ATOM 0 HA CYS A 4 2.957 -2.824 18.310 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.886 -2.838 15.271 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.644 -2.117 16.276 1.00 0.00 H new ATOM 59 N VAL A 5 1.903 -5.145 18.488 1.00 0.00 N ATOM 60 CA VAL A 5 1.004 -6.278 18.618 1.00 0.00 C ATOM 61 C VAL A 5 -0.452 -5.825 18.666 1.00 0.00 C ATOM 62 O VAL A 5 -0.744 -4.669 18.975 1.00 0.00 O ATOM 63 CB VAL A 5 1.322 -7.087 19.887 1.00 0.00 C ATOM 64 CG1 VAL A 5 2.819 -7.332 20.001 1.00 0.00 C ATOM 65 CG2 VAL A 5 0.794 -6.375 21.123 1.00 0.00 C ATOM 0 H VAL A 5 2.390 -4.895 19.348 1.00 0.00 H new ATOM 0 HA VAL A 5 1.151 -6.908 17.741 1.00 0.00 H new ATOM 0 HB VAL A 5 0.823 -8.053 19.814 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.026 -7.906 20.904 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.164 -7.890 19.130 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.341 -6.377 20.050 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.029 -6.963 22.010 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.261 -5.393 21.205 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.287 -6.257 21.041 1.00 0.00 H new ATOM 75 N THR A 6 -1.362 -6.744 18.363 1.00 0.00 N ATOM 76 CA THR A 6 -2.788 -6.442 18.374 1.00 0.00 C ATOM 77 C THR A 6 -3.542 -7.420 19.262 1.00 0.00 C ATOM 78 O THR A 6 -3.140 -8.575 19.403 1.00 0.00 O ATOM 79 CB THR A 6 -3.399 -6.499 16.963 1.00 0.00 C ATOM 80 OG1 THR A 6 -3.398 -7.849 16.482 1.00 0.00 O ATOM 81 CG2 THR A 6 -2.630 -5.614 15.997 1.00 0.00 C ATOM 0 H THR A 6 -1.137 -7.705 18.107 1.00 0.00 H new ATOM 0 HA THR A 6 -2.886 -5.429 18.763 1.00 0.00 H new ATOM 0 HB THR A 6 -4.424 -6.133 17.025 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.929 -7.904 15.660 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.084 -5.674 15.008 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.659 -4.582 16.347 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.594 -5.950 15.942 1.00 0.00 H new ATOM 89 N ASP A 7 -4.640 -6.950 19.850 1.00 0.00 N ATOM 90 CA ASP A 7 -5.461 -7.781 20.720 1.00 0.00 C ATOM 91 C ASP A 7 -5.804 -9.101 20.038 1.00 0.00 C ATOM 92 O ASP A 7 -6.127 -10.088 20.700 1.00 0.00 O ATOM 93 CB ASP A 7 -6.745 -7.043 21.104 1.00 0.00 C ATOM 94 CG ASP A 7 -6.514 -5.563 21.335 1.00 0.00 C ATOM 95 OD1 ASP A 7 -5.744 -5.219 22.257 1.00 0.00 O ATOM 96 OD2 ASP A 7 -7.102 -4.747 20.594 1.00 0.00 O ATOM 0 H ASP A 7 -4.980 -5.995 19.738 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.891 -7.994 21.624 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.486 -7.173 20.315 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.160 -7.489 22.008 1.00 0.00 H new ATOM 101 N SER A 8 -5.719 -9.114 18.712 1.00 0.00 N ATOM 102 CA SER A 8 -6.006 -10.315 17.943 1.00 0.00 C ATOM 103 C SER A 8 -4.860 -11.304 18.083 1.00 0.00 C ATOM 104 O SER A 8 -4.999 -12.485 17.768 1.00 0.00 O ATOM 105 CB SER A 8 -6.227 -9.968 16.469 1.00 0.00 C ATOM 106 OG SER A 8 -7.107 -10.892 15.853 1.00 0.00 O ATOM 0 H SER A 8 -5.454 -8.306 18.149 1.00 0.00 H new ATOM 0 HA SER A 8 -6.918 -10.769 18.330 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.636 -8.961 16.387 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.271 -9.967 15.945 1.00 0.00 H new ATOM 0 HG SER A 8 -7.233 -10.647 14.912 1.00 0.00 H new ATOM 112 N GLY A 9 -3.728 -10.805 18.566 1.00 0.00 N ATOM 113 CA GLY A 9 -2.570 -11.646 18.750 1.00 0.00 C ATOM 114 C GLY A 9 -1.507 -11.415 17.698 1.00 0.00 C ATOM 115 O GLY A 9 -0.742 -12.323 17.376 1.00 0.00 O ATOM 0 H GLY A 9 -3.596 -9.829 18.833 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.145 -11.461 19.737 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.878 -12.691 18.726 1.00 0.00 H new ATOM 119 N VAL A 10 -1.456 -10.201 17.151 1.00 0.00 N ATOM 120 CA VAL A 10 -0.469 -9.885 16.130 1.00 0.00 C ATOM 121 C VAL A 10 0.804 -9.311 16.749 1.00 0.00 C ATOM 122 O VAL A 10 0.842 -8.991 17.937 1.00 0.00 O ATOM 123 CB VAL A 10 -1.043 -8.899 15.081 1.00 0.00 C ATOM 124 CG1 VAL A 10 -0.539 -7.481 15.312 1.00 0.00 C ATOM 125 CG2 VAL A 10 -0.703 -9.375 13.676 1.00 0.00 C ATOM 0 H VAL A 10 -2.080 -9.432 17.396 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.216 -10.817 15.625 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.127 -8.878 15.192 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.962 -6.817 14.558 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.842 -7.144 16.303 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.549 -7.465 15.240 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.111 -8.675 12.946 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.380 -9.428 13.562 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.134 -10.363 13.512 1.00 0.00 H new ATOM 135 N VAL A 11 1.838 -9.172 15.924 1.00 0.00 N ATOM 136 CA VAL A 11 3.113 -8.626 16.370 1.00 0.00 C ATOM 137 C VAL A 11 3.827 -7.922 15.220 1.00 0.00 C ATOM 138 O VAL A 11 4.903 -8.339 14.792 1.00 0.00 O ATOM 139 CB VAL A 11 4.032 -9.725 16.936 1.00 0.00 C ATOM 140 CG1 VAL A 11 5.439 -9.189 17.155 1.00 0.00 C ATOM 141 CG2 VAL A 11 3.459 -10.281 18.231 1.00 0.00 C ATOM 0 H VAL A 11 1.816 -9.432 14.938 1.00 0.00 H new ATOM 0 HA VAL A 11 2.896 -7.909 17.162 1.00 0.00 H new ATOM 0 HB VAL A 11 4.088 -10.536 16.209 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.072 -9.981 17.555 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.848 -8.842 16.206 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.406 -8.359 17.861 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.120 -11.056 18.618 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.372 -9.479 18.964 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.474 -10.706 18.040 1.00 0.00 H new ATOM 151 N TYR A 12 3.213 -6.855 14.719 1.00 0.00 N ATOM 152 CA TYR A 12 3.780 -6.093 13.612 1.00 0.00 C ATOM 153 C TYR A 12 4.955 -5.239 14.080 1.00 0.00 C ATOM 154 O TYR A 12 4.777 -4.267 14.813 1.00 0.00 O ATOM 155 CB TYR A 12 2.706 -5.207 12.978 1.00 0.00 C ATOM 156 CG TYR A 12 1.580 -5.991 12.342 1.00 0.00 C ATOM 157 CD1 TYR A 12 1.729 -6.564 11.085 1.00 0.00 C ATOM 158 CD2 TYR A 12 0.369 -6.162 13.002 1.00 0.00 C ATOM 159 CE1 TYR A 12 0.704 -7.284 10.504 1.00 0.00 C ATOM 160 CE2 TYR A 12 -0.661 -6.881 12.426 1.00 0.00 C ATOM 161 CZ TYR A 12 -0.489 -7.441 11.178 1.00 0.00 C ATOM 162 OH TYR A 12 -1.512 -8.157 10.601 1.00 0.00 O ATOM 0 H TYR A 12 2.321 -6.498 15.063 1.00 0.00 H new ATOM 0 HA TYR A 12 4.147 -6.798 12.867 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.294 -4.546 13.741 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.169 -4.572 12.223 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.662 -6.444 10.554 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.231 -5.726 13.980 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.836 -7.722 9.526 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.597 -7.004 12.951 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.142 -8.787 9.948 1.00 0.00 H new ATOM 172 N SER A 13 6.156 -5.612 13.648 1.00 0.00 N ATOM 173 CA SER A 13 7.363 -4.882 14.019 1.00 0.00 C ATOM 174 C SER A 13 7.375 -3.495 13.389 1.00 0.00 C ATOM 175 O SER A 13 6.732 -3.258 12.367 1.00 0.00 O ATOM 176 CB SER A 13 8.607 -5.662 13.587 1.00 0.00 C ATOM 177 OG SER A 13 9.105 -6.458 14.648 1.00 0.00 O ATOM 0 H SER A 13 6.319 -6.415 13.041 1.00 0.00 H new ATOM 0 HA SER A 13 7.371 -4.768 15.103 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.364 -6.297 12.735 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.379 -4.967 13.257 1.00 0.00 H new ATOM 0 HG SER A 13 10.024 -6.188 14.856 1.00 0.00 H new ATOM 183 N VAL A 14 8.111 -2.581 14.010 1.00 0.00 N ATOM 184 CA VAL A 14 8.213 -1.212 13.520 1.00 0.00 C ATOM 185 C VAL A 14 8.464 -1.179 12.018 1.00 0.00 C ATOM 186 O VAL A 14 8.803 -2.196 11.414 1.00 0.00 O ATOM 187 CB VAL A 14 9.335 -0.453 14.246 1.00 0.00 C ATOM 188 CG1 VAL A 14 9.380 1.002 13.808 1.00 0.00 C ATOM 189 CG2 VAL A 14 9.136 -0.561 15.745 1.00 0.00 C ATOM 0 H VAL A 14 8.648 -2.765 14.858 1.00 0.00 H new ATOM 0 HA VAL A 14 7.261 -0.723 13.725 1.00 0.00 H new ATOM 0 HB VAL A 14 10.292 -0.904 13.983 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.182 1.516 14.337 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.561 1.053 12.734 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.428 1.481 14.038 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.933 -0.022 16.258 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.173 -0.129 16.016 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.159 -1.610 16.040 1.00 0.00 H new ATOM 199 N GLY A 15 8.282 -0.007 11.418 1.00 0.00 N ATOM 200 CA GLY A 15 8.480 0.123 9.991 1.00 0.00 C ATOM 201 C GLY A 15 7.790 -0.989 9.233 1.00 0.00 C ATOM 202 O GLY A 15 8.280 -1.444 8.199 1.00 0.00 O ATOM 0 H GLY A 15 8.002 0.850 11.894 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.096 1.086 9.655 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.547 0.110 9.768 1.00 0.00 H new ATOM 206 N MET A 16 6.651 -1.435 9.756 1.00 0.00 N ATOM 207 CA MET A 16 5.896 -2.515 9.123 1.00 0.00 C ATOM 208 C MET A 16 4.436 -2.127 8.917 1.00 0.00 C ATOM 209 O MET A 16 3.718 -1.844 9.875 1.00 0.00 O ATOM 210 CB MET A 16 5.980 -3.786 9.969 1.00 0.00 C ATOM 211 CG MET A 16 5.547 -5.041 9.228 1.00 0.00 C ATOM 212 SD MET A 16 6.060 -6.552 10.065 1.00 0.00 S ATOM 213 CE MET A 16 6.819 -7.447 8.712 1.00 0.00 C ATOM 0 H MET A 16 6.232 -1.069 10.611 1.00 0.00 H new ATOM 0 HA MET A 16 6.340 -2.701 8.145 1.00 0.00 H new ATOM 0 HB2 MET A 16 7.005 -3.915 10.316 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.357 -3.664 10.855 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.462 -5.039 9.122 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.966 -5.027 8.222 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.011 -8.475 9.018 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.149 -7.443 7.852 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.760 -6.968 8.441 1.00 0.00 H new ATOM 223 N GLN A 17 4.004 -2.122 7.659 1.00 0.00 N ATOM 224 CA GLN A 17 2.629 -1.773 7.321 1.00 0.00 C ATOM 225 C GLN A 17 1.756 -3.018 7.209 1.00 0.00 C ATOM 226 O GLN A 17 2.253 -4.119 6.964 1.00 0.00 O ATOM 227 CB GLN A 17 2.588 -0.992 6.004 1.00 0.00 C ATOM 228 CG GLN A 17 3.824 -0.141 5.762 1.00 0.00 C ATOM 229 CD GLN A 17 3.959 0.293 4.316 1.00 0.00 C ATOM 230 OE1 GLN A 17 3.403 1.314 3.908 1.00 0.00 O ATOM 231 NE2 GLN A 17 4.699 -0.482 3.532 1.00 0.00 N ATOM 0 H GLN A 17 4.588 -2.356 6.856 1.00 0.00 H new ATOM 0 HA GLN A 17 2.236 -1.149 8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.473 -1.694 5.178 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.708 -0.349 6.000 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.783 0.742 6.400 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.711 -0.704 6.053 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.141 -1.319 3.913 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.825 -0.241 2.549 1.00 0.00 H new ATOM 240 N TRP A 18 0.451 -2.836 7.389 1.00 0.00 N ATOM 241 CA TRP A 18 -0.495 -3.943 7.306 1.00 0.00 C ATOM 242 C TRP A 18 -1.920 -3.427 7.125 1.00 0.00 C ATOM 243 O TRP A 18 -2.264 -2.345 7.600 1.00 0.00 O ATOM 244 CB TRP A 18 -0.405 -4.818 8.558 1.00 0.00 C ATOM 245 CG TRP A 18 -0.977 -4.175 9.784 1.00 0.00 C ATOM 246 CD1 TRP A 18 -2.283 -4.181 10.180 1.00 0.00 C ATOM 247 CD2 TRP A 18 -0.260 -3.433 10.778 1.00 0.00 C ATOM 248 NE1 TRP A 18 -2.423 -3.491 11.360 1.00 0.00 N ATOM 249 CE2 TRP A 18 -1.195 -3.022 11.747 1.00 0.00 C ATOM 250 CE3 TRP A 18 1.082 -3.078 10.943 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -0.829 -2.274 12.864 1.00 0.00 C ATOM 252 CZ3 TRP A 18 1.442 -2.336 12.052 1.00 0.00 C ATOM 253 CH2 TRP A 18 0.490 -1.943 13.001 1.00 0.00 C ATOM 0 H TRP A 18 0.025 -1.932 7.593 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.235 -4.547 6.436 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.928 -5.756 8.373 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.640 -5.066 8.743 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.090 -4.659 9.644 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.298 -3.351 11.865 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.824 -3.378 10.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.562 -1.967 13.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.476 -2.054 12.189 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.804 -1.367 13.859 1.00 0.00 H new ATOM 264 N LEU A 19 -2.742 -4.209 6.432 1.00 0.00 N ATOM 265 CA LEU A 19 -4.129 -3.831 6.184 1.00 0.00 C ATOM 266 C LEU A 19 -4.968 -3.974 7.448 1.00 0.00 C ATOM 267 O LEU A 19 -4.692 -4.823 8.295 1.00 0.00 O ATOM 268 CB LEU A 19 -4.721 -4.692 5.066 1.00 0.00 C ATOM 269 CG LEU A 19 -5.502 -3.921 4.000 1.00 0.00 C ATOM 270 CD1 LEU A 19 -4.721 -2.696 3.551 1.00 0.00 C ATOM 271 CD2 LEU A 19 -5.814 -4.821 2.813 1.00 0.00 C ATOM 0 H LEU A 19 -2.472 -5.108 6.032 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.144 -2.785 5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.911 -5.236 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.381 -5.436 5.512 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.444 -3.588 4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.291 -2.159 2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.548 -2.042 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.764 -3.008 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.370 -4.256 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.883 -5.184 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.413 -5.669 3.147 1.00 0.00 H new ATOM 283 N LYS A 20 -5.993 -3.137 7.570 1.00 0.00 N ATOM 284 CA LYS A 20 -6.869 -3.171 8.734 1.00 0.00 C ATOM 285 C LYS A 20 -8.266 -2.670 8.383 1.00 0.00 C ATOM 286 O LYS A 20 -8.536 -2.302 7.241 1.00 0.00 O ATOM 287 CB LYS A 20 -6.278 -2.326 9.864 1.00 0.00 C ATOM 288 CG LYS A 20 -5.595 -3.151 10.941 1.00 0.00 C ATOM 289 CD LYS A 20 -6.605 -3.960 11.739 1.00 0.00 C ATOM 290 CE LYS A 20 -6.183 -5.415 11.859 1.00 0.00 C ATOM 291 NZ LYS A 20 -7.268 -6.263 12.428 1.00 0.00 N ATOM 0 H LYS A 20 -6.237 -2.428 6.878 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.951 -4.206 9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.558 -1.623 9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.073 -1.735 10.319 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.869 -3.822 10.483 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.042 -2.493 11.611 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.714 -3.528 12.734 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.581 -3.902 11.258 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.904 -5.794 10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.298 -5.485 12.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.941 -7.248 12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.518 -5.917 13.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.104 -6.217 11.812 1.00 0.00 H new ATOM 305 N THR A 21 -9.150 -2.662 9.375 1.00 0.00 N ATOM 306 CA THR A 21 -10.521 -2.208 9.173 1.00 0.00 C ATOM 307 C THR A 21 -10.893 -1.121 10.177 1.00 0.00 C ATOM 308 O THR A 21 -10.550 -1.206 11.355 1.00 0.00 O ATOM 309 CB THR A 21 -11.521 -3.372 9.301 1.00 0.00 C ATOM 310 OG1 THR A 21 -11.385 -4.261 8.185 1.00 0.00 O ATOM 311 CG2 THR A 21 -12.951 -2.856 9.372 1.00 0.00 C ATOM 0 H THR A 21 -8.942 -2.965 10.327 1.00 0.00 H new ATOM 0 HA THR A 21 -10.575 -1.801 8.163 1.00 0.00 H new ATOM 0 HB THR A 21 -11.300 -3.909 10.223 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.023 -4.999 8.275 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.638 -3.698 9.462 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.060 -2.204 10.239 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.181 -2.296 8.466 1.00 0.00 H new ATOM 319 N GLN A 22 -11.598 -0.099 9.700 1.00 0.00 N ATOM 320 CA GLN A 22 -12.018 1.005 10.554 1.00 0.00 C ATOM 321 C GLN A 22 -13.466 0.829 11.000 1.00 0.00 C ATOM 322 O GLN A 22 -14.269 1.758 10.914 1.00 0.00 O ATOM 323 CB GLN A 22 -11.857 2.337 9.818 1.00 0.00 C ATOM 324 CG GLN A 22 -12.414 3.526 10.584 1.00 0.00 C ATOM 325 CD GLN A 22 -11.376 4.605 10.821 1.00 0.00 C ATOM 326 OE1 GLN A 22 -10.215 4.313 11.110 1.00 0.00 O ATOM 327 NE2 GLN A 22 -11.789 5.861 10.699 1.00 0.00 N ATOM 0 H GLN A 22 -11.890 -0.013 8.726 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.382 1.008 11.439 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.799 2.507 9.619 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.357 2.271 8.852 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.253 3.949 10.031 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.804 3.185 11.543 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.760 6.057 10.458 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.135 6.630 10.846 1.00 0.00 H new ATOM 336 N GLY A 23 -13.790 -0.368 11.476 1.00 0.00 N ATOM 337 CA GLY A 23 -15.141 -0.644 11.929 1.00 0.00 C ATOM 338 C GLY A 23 -16.080 -0.974 10.787 1.00 0.00 C ATOM 339 O GLY A 23 -16.808 -1.966 10.837 1.00 0.00 O ATOM 0 H GLY A 23 -13.142 -1.152 11.556 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.122 -1.477 12.632 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.523 0.221 12.471 1.00 0.00 H new ATOM 343 N ASN A 24 -16.063 -0.140 9.756 1.00 0.00 N ATOM 344 CA ASN A 24 -16.918 -0.342 8.592 1.00 0.00 C ATOM 345 C ASN A 24 -16.158 -0.050 7.301 1.00 0.00 C ATOM 346 O ASN A 24 -16.748 0.361 6.303 1.00 0.00 O ATOM 347 CB ASN A 24 -18.157 0.551 8.682 1.00 0.00 C ATOM 348 CG ASN A 24 -19.072 0.392 7.484 1.00 0.00 C ATOM 349 OD1 ASN A 24 -19.494 1.374 6.876 1.00 0.00 O ATOM 350 ND2 ASN A 24 -19.385 -0.852 7.139 1.00 0.00 N ATOM 0 H ASN A 24 -15.465 0.685 9.701 1.00 0.00 H new ATOM 0 HA ASN A 24 -17.232 -1.386 8.579 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -18.709 0.312 9.591 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -17.846 1.593 8.762 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -19.998 -1.021 6.341 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -19.012 -1.638 7.672 1.00 0.00 H new ATOM 357 N LYS A 25 -14.847 -0.266 7.331 1.00 0.00 N ATOM 358 CA LYS A 25 -14.006 -0.026 6.164 1.00 0.00 C ATOM 359 C LYS A 25 -12.655 -0.715 6.318 1.00 0.00 C ATOM 360 O LYS A 25 -12.453 -1.507 7.238 1.00 0.00 O ATOM 361 CB LYS A 25 -13.804 1.477 5.955 1.00 0.00 C ATOM 362 CG LYS A 25 -15.093 2.230 5.671 1.00 0.00 C ATOM 363 CD LYS A 25 -14.817 3.643 5.183 1.00 0.00 C ATOM 364 CE LYS A 25 -13.779 3.657 4.074 1.00 0.00 C ATOM 365 NZ LYS A 25 -13.694 4.986 3.409 1.00 0.00 N ATOM 0 H LYS A 25 -14.344 -0.607 8.150 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.510 -0.443 5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.335 1.899 6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.113 1.631 5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.672 1.692 4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.700 2.268 6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.743 4.091 4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.470 4.255 6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.805 3.394 4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.028 2.896 3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.975 4.953 2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.617 5.226 2.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.431 5.708 4.109 1.00 0.00 H new ATOM 379 N GLN A 26 -11.734 -0.409 5.412 1.00 0.00 N ATOM 380 CA GLN A 26 -10.400 -0.999 5.448 1.00 0.00 C ATOM 381 C GLN A 26 -9.331 0.083 5.560 1.00 0.00 C ATOM 382 O GLN A 26 -9.185 0.919 4.669 1.00 0.00 O ATOM 383 CB GLN A 26 -10.159 -1.843 4.196 1.00 0.00 C ATOM 384 CG GLN A 26 -8.689 -2.102 3.909 1.00 0.00 C ATOM 385 CD GLN A 26 -8.106 -1.120 2.914 1.00 0.00 C ATOM 386 OE1 GLN A 26 -7.409 -0.177 3.289 1.00 0.00 O ATOM 387 NE2 GLN A 26 -8.390 -1.334 1.634 1.00 0.00 N ATOM 0 H GLN A 26 -11.886 0.244 4.643 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.336 -1.640 6.327 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.672 -2.798 4.308 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.605 -1.340 3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.126 -2.047 4.841 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.571 -3.115 3.525 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.972 -2.128 1.367 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.026 -0.704 0.919 1.00 0.00 H new ATOM 396 N MET A 27 -8.584 0.060 6.661 1.00 0.00 N ATOM 397 CA MET A 27 -7.529 1.040 6.886 1.00 0.00 C ATOM 398 C MET A 27 -6.173 0.357 7.025 1.00 0.00 C ATOM 399 O MET A 27 -6.061 -0.705 7.636 1.00 0.00 O ATOM 400 CB MET A 27 -7.829 1.863 8.141 1.00 0.00 C ATOM 401 CG MET A 27 -8.632 3.123 7.864 1.00 0.00 C ATOM 402 SD MET A 27 -7.898 4.592 8.607 1.00 0.00 S ATOM 403 CE MET A 27 -6.294 4.610 7.810 1.00 0.00 C ATOM 0 H MET A 27 -8.691 -0.626 7.409 1.00 0.00 H new ATOM 0 HA MET A 27 -7.494 1.705 6.023 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.376 1.242 8.850 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.889 2.139 8.618 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.713 3.268 6.787 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.645 2.995 8.246 1.00 0.00 H new ATOM 0 HE1 MET A 27 -5.913 5.631 7.782 1.00 0.00 H new ATOM 0 HE2 MET A 27 -5.603 3.980 8.369 1.00 0.00 H new ATOM 0 HE3 MET A 27 -6.389 4.230 6.793 1.00 0.00 H new ATOM 413 N LEU A 28 -5.144 0.975 6.453 1.00 0.00 N ATOM 414 CA LEU A 28 -3.795 0.425 6.514 1.00 0.00 C ATOM 415 C LEU A 28 -3.051 0.948 7.739 1.00 0.00 C ATOM 416 O LEU A 28 -2.893 2.156 7.912 1.00 0.00 O ATOM 417 CB LEU A 28 -3.020 0.777 5.243 1.00 0.00 C ATOM 418 CG LEU A 28 -1.521 0.472 5.294 1.00 0.00 C ATOM 419 CD1 LEU A 28 -1.207 -0.785 4.496 1.00 0.00 C ATOM 420 CD2 LEU A 28 -0.719 1.653 4.771 1.00 0.00 C ATOM 0 H LEU A 28 -5.219 1.855 5.943 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.874 -0.659 6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.458 0.233 4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.153 1.839 5.037 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.238 0.299 6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.137 -0.988 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.755 -1.629 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.504 -0.640 3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.345 1.418 4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.003 1.857 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.922 2.531 5.384 1.00 0.00 H new ATOM 432 N CYS A 29 -2.597 0.029 8.585 1.00 0.00 N ATOM 433 CA CYS A 29 -1.870 0.398 9.794 1.00 0.00 C ATOM 434 C CYS A 29 -0.434 -0.112 9.737 1.00 0.00 C ATOM 435 O CYS A 29 -0.189 -1.266 9.390 1.00 0.00 O ATOM 436 CB CYS A 29 -2.575 -0.163 11.030 1.00 0.00 C ATOM 437 SG CYS A 29 -3.683 1.023 11.858 1.00 0.00 S ATOM 0 H CYS A 29 -2.720 -0.975 8.456 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.850 1.486 9.861 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.152 -1.040 10.739 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.822 -0.499 11.743 1.00 0.00 H new ATOM 442 N THR A 30 0.512 0.757 10.079 1.00 0.00 N ATOM 443 CA THR A 30 1.922 0.391 10.063 1.00 0.00 C ATOM 444 C THR A 30 2.592 0.707 11.392 1.00 0.00 C ATOM 445 O THR A 30 2.300 1.724 12.021 1.00 0.00 O ATOM 446 CB THR A 30 2.687 1.127 8.948 1.00 0.00 C ATOM 447 OG1 THR A 30 2.064 0.890 7.680 1.00 0.00 O ATOM 448 CG2 THR A 30 4.141 0.679 8.899 1.00 0.00 C ATOM 0 H THR A 30 0.327 1.717 10.370 1.00 0.00 H new ATOM 0 HA THR A 30 1.957 -0.683 9.879 1.00 0.00 H new ATOM 0 HB THR A 30 2.660 2.194 9.168 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.065 1.718 7.155 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.660 1.213 8.103 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.621 0.895 9.854 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.185 -0.393 8.705 1.00 0.00 H new ATOM 456 N CYS A 31 3.507 -0.160 11.802 1.00 0.00 N ATOM 457 CA CYS A 31 4.235 0.038 13.045 1.00 0.00 C ATOM 458 C CYS A 31 5.347 1.054 12.834 1.00 0.00 C ATOM 459 O CYS A 31 6.123 0.944 11.886 1.00 0.00 O ATOM 460 CB CYS A 31 4.823 -1.283 13.541 1.00 0.00 C ATOM 461 SG CYS A 31 5.361 -1.247 15.281 1.00 0.00 S ATOM 0 H CYS A 31 3.762 -1.006 11.292 1.00 0.00 H new ATOM 0 HA CYS A 31 3.542 0.412 13.799 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.078 -2.069 13.418 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.674 -1.549 12.914 1.00 0.00 H new ATOM 466 N LEU A 32 5.413 2.049 13.711 1.00 0.00 N ATOM 467 CA LEU A 32 6.428 3.089 13.606 1.00 0.00 C ATOM 468 C LEU A 32 6.870 3.565 14.986 1.00 0.00 C ATOM 469 O LEU A 32 6.047 3.770 15.876 1.00 0.00 O ATOM 470 CB LEU A 32 5.891 4.268 12.793 1.00 0.00 C ATOM 471 CG LEU A 32 5.385 3.911 11.394 1.00 0.00 C ATOM 472 CD1 LEU A 32 3.917 4.283 11.248 1.00 0.00 C ATOM 473 CD2 LEU A 32 6.222 4.607 10.332 1.00 0.00 C ATOM 0 H LEU A 32 4.777 2.157 14.501 1.00 0.00 H new ATOM 0 HA LEU A 32 7.295 2.667 13.097 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.077 4.733 13.350 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.680 5.014 12.698 1.00 0.00 H new ATOM 0 HG LEU A 32 5.481 2.834 11.256 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.573 4.022 10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.329 3.739 11.987 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.796 5.355 11.405 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.848 4.342 9.343 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.157 5.687 10.467 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.261 4.292 10.424 1.00 0.00 H new ATOM 485 N GLY A 33 8.178 3.738 15.152 1.00 0.00 N ATOM 486 CA GLY A 33 8.711 4.189 16.424 1.00 0.00 C ATOM 487 C GLY A 33 7.947 3.626 17.606 1.00 0.00 C ATOM 488 O GLY A 33 8.226 2.518 18.064 1.00 0.00 O ATOM 0 H GLY A 33 8.878 3.574 14.428 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.758 3.896 16.500 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.681 5.278 16.461 1.00 0.00 H new ATOM 492 N ASN A 34 6.981 4.392 18.102 1.00 0.00 N ATOM 493 CA ASN A 34 6.174 3.964 19.240 1.00 0.00 C ATOM 494 C ASN A 34 4.694 4.241 18.996 1.00 0.00 C ATOM 495 O ASN A 34 3.989 4.718 19.885 1.00 0.00 O ATOM 496 CB ASN A 34 6.635 4.674 20.513 1.00 0.00 C ATOM 497 CG ASN A 34 7.349 3.740 21.470 1.00 0.00 C ATOM 498 OD1 ASN A 34 7.230 2.518 21.369 1.00 0.00 O ATOM 499 ND2 ASN A 34 8.096 4.311 22.409 1.00 0.00 N ATOM 0 H ASN A 34 6.738 5.312 17.734 1.00 0.00 H new ATOM 0 HA ASN A 34 6.306 2.889 19.363 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.301 5.495 20.247 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.772 5.113 21.014 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.599 3.733 23.082 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.167 5.327 22.456 1.00 0.00 H new ATOM 506 N GLY A 35 4.231 3.942 17.787 1.00 0.00 N ATOM 507 CA GLY A 35 2.836 4.168 17.453 1.00 0.00 C ATOM 508 C GLY A 35 2.461 3.589 16.104 1.00 0.00 C ATOM 509 O GLY A 35 3.211 3.714 15.135 1.00 0.00 O ATOM 0 H GLY A 35 4.795 3.548 17.034 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.205 3.725 18.223 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.635 5.239 17.454 1.00 0.00 H new ATOM 513 N VAL A 36 1.295 2.954 16.040 1.00 0.00 N ATOM 514 CA VAL A 36 0.818 2.354 14.799 1.00 0.00 C ATOM 515 C VAL A 36 0.118 3.388 13.923 1.00 0.00 C ATOM 516 O VAL A 36 -1.082 3.623 14.064 1.00 0.00 O ATOM 517 CB VAL A 36 -0.154 1.190 15.074 1.00 0.00 C ATOM 518 CG1 VAL A 36 -0.841 0.751 13.791 1.00 0.00 C ATOM 519 CG2 VAL A 36 0.578 0.022 15.721 1.00 0.00 C ATOM 0 H VAL A 36 0.663 2.842 16.833 1.00 0.00 H new ATOM 0 HA VAL A 36 1.694 1.970 14.276 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.919 1.539 15.767 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.523 -0.072 14.007 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.402 1.587 13.374 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.092 0.422 13.071 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.125 -0.790 15.907 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.367 -0.327 15.055 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.017 0.346 16.665 1.00 0.00 H new ATOM 529 N SER A 37 0.874 4.003 13.021 1.00 0.00 N ATOM 530 CA SER A 37 0.323 5.012 12.123 1.00 0.00 C ATOM 531 C SER A 37 -0.514 4.362 11.027 1.00 0.00 C ATOM 532 O SER A 37 -0.012 3.558 10.242 1.00 0.00 O ATOM 533 CB SER A 37 1.448 5.840 11.500 1.00 0.00 C ATOM 534 OG SER A 37 1.804 5.338 10.224 1.00 0.00 O ATOM 0 H SER A 37 1.869 3.821 12.892 1.00 0.00 H new ATOM 0 HA SER A 37 -0.321 5.670 12.706 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.132 6.879 11.410 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.319 5.827 12.155 1.00 0.00 H new ATOM 0 HG SER A 37 1.453 4.429 10.121 1.00 0.00 H new ATOM 540 N CYS A 38 -1.795 4.715 10.979 1.00 0.00 N ATOM 541 CA CYS A 38 -2.703 4.166 9.980 1.00 0.00 C ATOM 542 C CYS A 38 -2.947 5.167 8.855 1.00 0.00 C ATOM 543 O CYS A 38 -2.727 6.367 9.017 1.00 0.00 O ATOM 544 CB CYS A 38 -4.031 3.774 10.628 1.00 0.00 C ATOM 545 SG CYS A 38 -4.529 2.048 10.323 1.00 0.00 S ATOM 0 H CYS A 38 -2.227 5.379 11.621 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.238 3.277 9.554 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.959 3.935 11.704 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.813 4.437 10.258 1.00 0.00 H new ATOM 550 N GLN A 39 -3.406 4.663 7.713 1.00 0.00 N ATOM 551 CA GLN A 39 -3.684 5.511 6.560 1.00 0.00 C ATOM 552 C GLN A 39 -4.530 4.768 5.531 1.00 0.00 C ATOM 553 O GLN A 39 -4.197 3.652 5.128 1.00 0.00 O ATOM 554 CB GLN A 39 -2.376 5.979 5.918 1.00 0.00 C ATOM 555 CG GLN A 39 -1.970 7.386 6.324 1.00 0.00 C ATOM 556 CD GLN A 39 -0.471 7.605 6.252 1.00 0.00 C ATOM 557 OE1 GLN A 39 0.191 7.137 5.325 1.00 0.00 O ATOM 558 NE2 GLN A 39 0.071 8.318 7.232 1.00 0.00 N ATOM 0 H GLN A 39 -3.593 3.672 7.562 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.243 6.380 6.906 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.579 5.287 6.190 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.478 5.938 4.834 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.470 8.106 5.676 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.313 7.580 7.340 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.517 8.686 7.980 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.075 8.498 7.237 1.00 0.00 H new ATOM 567 N GLU A 40 -5.626 5.391 5.111 1.00 0.00 N ATOM 568 CA GLU A 40 -6.520 4.787 4.130 1.00 0.00 C ATOM 569 C GLU A 40 -5.743 4.309 2.908 1.00 0.00 C ATOM 570 O GLU A 40 -4.512 4.300 2.905 1.00 0.00 O ATOM 571 CB GLU A 40 -7.595 5.789 3.706 1.00 0.00 C ATOM 572 CG GLU A 40 -8.883 5.676 4.507 1.00 0.00 C ATOM 573 CD GLU A 40 -9.598 7.004 4.649 1.00 0.00 C ATOM 574 OE1 GLU A 40 -8.913 8.047 4.690 1.00 0.00 O ATOM 575 OE2 GLU A 40 -10.846 7.001 4.721 1.00 0.00 O ATOM 0 H GLU A 40 -5.916 6.314 5.435 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.999 3.924 4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.200 6.799 3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.820 5.642 2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.547 4.960 4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.657 5.281 5.498 1.00 0.00 H new ATOM 582 N THR A 41 -6.471 3.910 1.869 1.00 0.00 N ATOM 583 CA THR A 41 -5.851 3.429 0.641 1.00 0.00 C ATOM 584 C THR A 41 -5.040 4.529 -0.033 1.00 0.00 C ATOM 585 O THR A 41 -4.245 4.264 -0.936 1.00 0.00 O ATOM 586 CB THR A 41 -6.906 2.905 -0.352 1.00 0.00 C ATOM 587 OG1 THR A 41 -8.220 3.262 0.092 1.00 0.00 O ATOM 588 CG2 THR A 41 -6.809 1.393 -0.495 1.00 0.00 C ATOM 0 H THR A 41 -7.491 3.911 1.854 1.00 0.00 H new ATOM 0 HA THR A 41 -5.187 2.611 0.922 1.00 0.00 H new ATOM 0 HB THR A 41 -6.715 3.361 -1.323 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.301 4.238 0.123 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.563 1.045 -1.201 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.818 1.125 -0.861 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.976 0.924 0.475 1.00 0.00 H new ATOM 596 N ALA A 42 -5.244 5.765 0.409 1.00 0.00 N ATOM 597 CA ALA A 42 -4.530 6.906 -0.151 1.00 0.00 C ATOM 598 C ALA A 42 -4.468 6.821 -1.672 1.00 0.00 C ATOM 599 O ALA A 42 -5.118 5.973 -2.284 1.00 0.00 O ATOM 600 CB ALA A 42 -3.127 6.989 0.432 1.00 0.00 C ATOM 0 H ALA A 42 -5.899 6.002 1.154 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.076 7.811 0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.606 7.846 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.189 7.105 1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.580 6.076 0.195 1.00 0.00 H new ATOM 606 N VAL A 43 -3.681 7.706 -2.278 1.00 0.00 N ATOM 607 CA VAL A 43 -3.534 7.731 -3.728 1.00 0.00 C ATOM 608 C VAL A 43 -2.447 6.766 -4.187 1.00 0.00 C ATOM 609 O VAL A 43 -1.805 6.105 -3.371 1.00 0.00 O ATOM 610 CB VAL A 43 -3.196 9.146 -4.234 1.00 0.00 C ATOM 611 CG1 VAL A 43 -3.717 9.346 -5.649 1.00 0.00 C ATOM 612 CG2 VAL A 43 -3.763 10.199 -3.295 1.00 0.00 C ATOM 0 H VAL A 43 -3.136 8.414 -1.787 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.491 7.422 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.112 9.256 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.469 10.351 -5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.257 8.614 -6.313 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.799 9.216 -5.660 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.514 11.192 -3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.846 10.093 -3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.336 10.068 -2.301 1.00 0.00 H new ATOM 622 N THR A 44 -2.245 6.692 -5.499 1.00 0.00 N ATOM 623 CA THR A 44 -1.235 5.807 -6.067 1.00 0.00 C ATOM 624 C THR A 44 -0.486 6.487 -7.208 1.00 0.00 C ATOM 625 O THR A 44 -1.038 7.337 -7.906 1.00 0.00 O ATOM 626 CB THR A 44 -1.859 4.500 -6.587 1.00 0.00 C ATOM 627 OG1 THR A 44 -0.927 3.809 -7.427 1.00 0.00 O ATOM 628 CG2 THR A 44 -3.136 4.783 -7.366 1.00 0.00 C ATOM 0 H THR A 44 -2.767 7.234 -6.188 1.00 0.00 H new ATOM 0 HA THR A 44 -0.536 5.572 -5.264 1.00 0.00 H new ATOM 0 HB THR A 44 -2.105 3.875 -5.728 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.333 2.978 -7.751 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.559 3.845 -7.724 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.856 5.281 -6.716 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.909 5.426 -8.216 1.00 0.00 H new ATOM 636 N GLN A 45 0.774 6.108 -7.392 1.00 0.00 N ATOM 637 CA GLN A 45 1.599 6.680 -8.449 1.00 0.00 C ATOM 638 C GLN A 45 0.769 6.955 -9.699 1.00 0.00 C ATOM 639 O GLN A 45 0.358 6.029 -10.398 1.00 0.00 O ATOM 640 CB GLN A 45 2.757 5.739 -8.787 1.00 0.00 C ATOM 641 CG GLN A 45 4.119 6.412 -8.750 1.00 0.00 C ATOM 642 CD GLN A 45 5.024 5.959 -9.878 1.00 0.00 C ATOM 643 OE1 GLN A 45 5.636 4.893 -9.810 1.00 0.00 O ATOM 644 NE2 GLN A 45 5.116 6.771 -10.926 1.00 0.00 N ATOM 0 H GLN A 45 1.246 5.406 -6.822 1.00 0.00 H new ATOM 0 HA GLN A 45 2.003 7.626 -8.088 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.754 4.906 -8.084 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.595 5.320 -9.780 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.988 7.493 -8.806 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.600 6.198 -7.795 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.591 7.645 -10.941 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.711 6.520 -11.715 1.00 0.00 H new ATOM 653 N THR A 46 0.526 8.232 -9.973 1.00 0.00 N ATOM 654 CA THR A 46 -0.255 8.628 -11.139 1.00 0.00 C ATOM 655 C THR A 46 0.612 8.677 -12.392 1.00 0.00 C ATOM 656 O THR A 46 1.825 8.477 -12.327 1.00 0.00 O ATOM 657 CB THR A 46 -0.914 10.004 -10.932 1.00 0.00 C ATOM 658 OG1 THR A 46 0.089 11.027 -10.888 1.00 0.00 O ATOM 659 CG2 THR A 46 -1.725 10.027 -9.645 1.00 0.00 C ATOM 0 H THR A 46 0.858 9.010 -9.404 1.00 0.00 H new ATOM 0 HA THR A 46 -1.033 7.875 -11.268 1.00 0.00 H new ATOM 0 HB THR A 46 -1.586 10.190 -11.770 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.339 11.907 -10.936 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.181 11.009 -9.520 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.506 9.268 -9.693 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.070 9.821 -8.798 1.00 0.00 H new ATOM 667 N TYR A 47 -0.019 8.943 -13.531 1.00 0.00 N ATOM 668 CA TYR A 47 0.695 9.017 -14.800 1.00 0.00 C ATOM 669 C TYR A 47 -0.270 9.276 -15.953 1.00 0.00 C ATOM 670 O TYR A 47 -1.463 8.988 -15.853 1.00 0.00 O ATOM 671 CB TYR A 47 1.469 7.721 -15.051 1.00 0.00 C ATOM 672 CG TYR A 47 0.580 6.539 -15.364 1.00 0.00 C ATOM 673 CD1 TYR A 47 -0.162 6.495 -16.539 1.00 0.00 C ATOM 674 CD2 TYR A 47 0.484 5.466 -14.487 1.00 0.00 C ATOM 675 CE1 TYR A 47 -0.975 5.417 -16.829 1.00 0.00 C ATOM 676 CE2 TYR A 47 -0.328 4.383 -14.770 1.00 0.00 C ATOM 677 CZ TYR A 47 -1.054 4.363 -15.942 1.00 0.00 C ATOM 678 OH TYR A 47 -1.863 3.287 -16.227 1.00 0.00 O ATOM 0 H TYR A 47 -1.023 9.111 -13.601 1.00 0.00 H new ATOM 0 HA TYR A 47 1.398 9.848 -14.744 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.161 7.875 -15.879 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.071 7.490 -14.172 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.102 7.317 -17.236 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.053 5.478 -13.569 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.546 5.399 -17.745 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.393 3.557 -14.077 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.804 2.632 -15.500 1.00 0.00 H new ATOM 688 N GLY A 48 0.255 9.819 -17.045 1.00 0.00 N ATOM 689 CA GLY A 48 -0.573 10.107 -18.202 1.00 0.00 C ATOM 690 C GLY A 48 -1.558 11.231 -17.948 1.00 0.00 C ATOM 691 O GLY A 48 -1.588 11.805 -16.860 1.00 0.00 O ATOM 0 H GLY A 48 1.239 10.065 -17.150 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.066 10.372 -19.045 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.119 9.208 -18.486 1.00 0.00 H new ATOM 695 N GLY A 49 -2.366 11.544 -18.955 1.00 0.00 N ATOM 696 CA GLY A 49 -3.348 12.605 -18.819 1.00 0.00 C ATOM 697 C GLY A 49 -2.721 13.985 -18.846 1.00 0.00 C ATOM 698 O GLY A 49 -1.617 14.162 -19.363 1.00 0.00 O ATOM 0 H GLY A 49 -2.359 11.082 -19.864 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.078 12.525 -19.625 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.891 12.475 -17.883 1.00 0.00 H new ATOM 702 N ASN A 50 -3.425 14.965 -18.288 1.00 0.00 N ATOM 703 CA ASN A 50 -2.930 16.337 -18.249 1.00 0.00 C ATOM 704 C ASN A 50 -1.830 16.490 -17.202 1.00 0.00 C ATOM 705 O ASN A 50 -1.204 17.544 -17.096 1.00 0.00 O ATOM 706 CB ASN A 50 -4.076 17.305 -17.948 1.00 0.00 C ATOM 707 CG ASN A 50 -4.989 17.509 -19.141 1.00 0.00 C ATOM 708 OD1 ASN A 50 -4.578 18.054 -20.167 1.00 0.00 O ATOM 709 ND2 ASN A 50 -6.237 17.071 -19.014 1.00 0.00 N ATOM 0 H ASN A 50 -4.340 14.835 -17.857 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.510 16.574 -19.227 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.659 16.924 -17.109 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.665 18.266 -17.640 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.897 17.180 -19.784 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.535 16.625 -18.146 1.00 0.00 H new ATOM 716 N SER A 51 -1.600 15.430 -16.434 1.00 0.00 N ATOM 717 CA SER A 51 -0.574 15.443 -15.398 1.00 0.00 C ATOM 718 C SER A 51 0.204 14.132 -15.401 1.00 0.00 C ATOM 719 O SER A 51 0.285 13.442 -14.384 1.00 0.00 O ATOM 720 CB SER A 51 -1.206 15.675 -14.024 1.00 0.00 C ATOM 721 OG SER A 51 -1.204 17.052 -13.686 1.00 0.00 O ATOM 0 H SER A 51 -2.111 14.550 -16.510 1.00 0.00 H new ATOM 0 HA SER A 51 0.116 16.260 -15.609 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.229 15.299 -14.023 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.658 15.111 -13.269 1.00 0.00 H new ATOM 0 HG SER A 51 -0.987 17.155 -12.736 1.00 0.00 H new ATOM 727 N ASN A 52 0.765 13.793 -16.555 1.00 0.00 N ATOM 728 CA ASN A 52 1.530 12.567 -16.710 1.00 0.00 C ATOM 729 C ASN A 52 2.850 12.641 -15.951 1.00 0.00 C ATOM 730 O ASN A 52 3.923 12.463 -16.529 1.00 0.00 O ATOM 731 CB ASN A 52 1.792 12.292 -18.192 1.00 0.00 C ATOM 732 CG ASN A 52 2.766 11.151 -18.409 1.00 0.00 C ATOM 733 OD1 ASN A 52 3.147 10.457 -17.467 1.00 0.00 O ATOM 734 ND2 ASN A 52 3.174 10.950 -19.656 1.00 0.00 N ATOM 0 H ASN A 52 0.702 14.357 -17.403 1.00 0.00 H new ATOM 0 HA ASN A 52 0.943 11.749 -16.292 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.849 12.059 -18.687 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.184 13.194 -18.661 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.829 10.196 -19.863 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.833 11.550 -20.407 1.00 0.00 H new ATOM 741 N GLY A 53 2.763 12.902 -14.653 1.00 0.00 N ATOM 742 CA GLY A 53 3.957 12.992 -13.835 1.00 0.00 C ATOM 743 C GLY A 53 3.689 13.619 -12.480 1.00 0.00 C ATOM 744 O GLY A 53 4.427 13.382 -11.524 1.00 0.00 O ATOM 0 H GLY A 53 1.887 13.053 -14.152 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.372 11.994 -13.694 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.710 13.579 -14.361 1.00 0.00 H new ATOM 748 N GLU A 54 2.634 14.421 -12.399 1.00 0.00 N ATOM 749 CA GLU A 54 2.274 15.084 -11.151 1.00 0.00 C ATOM 750 C GLU A 54 1.172 14.320 -10.425 1.00 0.00 C ATOM 751 O GLU A 54 0.479 13.493 -11.017 1.00 0.00 O ATOM 752 CB GLU A 54 1.820 16.520 -11.422 1.00 0.00 C ATOM 753 CG GLU A 54 2.968 17.491 -11.639 1.00 0.00 C ATOM 754 CD GLU A 54 3.673 17.274 -12.963 1.00 0.00 C ATOM 755 OE1 GLU A 54 3.196 16.440 -13.761 1.00 0.00 O ATOM 756 OE2 GLU A 54 4.704 17.938 -13.204 1.00 0.00 O ATOM 0 H GLU A 54 2.013 14.628 -13.182 1.00 0.00 H new ATOM 0 HA GLU A 54 3.158 15.104 -10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.177 16.529 -12.302 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.217 16.866 -10.583 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.588 18.512 -11.597 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.687 17.385 -10.827 1.00 0.00 H new ATOM 763 N PRO A 55 1.000 14.591 -9.123 1.00 0.00 N ATOM 764 CA PRO A 55 -0.019 13.933 -8.301 1.00 0.00 C ATOM 765 C PRO A 55 -1.427 14.424 -8.621 1.00 0.00 C ATOM 766 O PRO A 55 -1.647 15.103 -9.624 1.00 0.00 O ATOM 767 CB PRO A 55 0.372 14.327 -6.877 1.00 0.00 C ATOM 768 CG PRO A 55 1.078 15.630 -7.027 1.00 0.00 C ATOM 769 CD PRO A 55 1.791 15.567 -8.352 1.00 0.00 C ATOM 0 HA PRO A 55 -0.048 12.856 -8.469 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.505 14.423 -6.237 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.018 13.576 -6.421 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.373 16.461 -7.003 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.784 15.787 -6.211 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.815 16.541 -8.842 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.825 15.243 -8.236 1.00 0.00 H new ATOM 777 N CYS A 56 -2.379 14.076 -7.761 1.00 0.00 N ATOM 778 CA CYS A 56 -3.767 14.479 -7.951 1.00 0.00 C ATOM 779 C CYS A 56 -4.144 15.600 -6.988 1.00 0.00 C ATOM 780 O CYS A 56 -3.290 16.153 -6.296 1.00 0.00 O ATOM 781 CB CYS A 56 -4.701 13.285 -7.752 1.00 0.00 C ATOM 782 SG CYS A 56 -3.882 11.665 -7.910 1.00 0.00 S ATOM 0 H CYS A 56 -2.214 13.515 -6.925 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.875 14.848 -8.971 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.157 13.355 -6.764 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.509 13.344 -8.481 1.00 0.00 H new ATOM 787 N VAL A 57 -5.431 15.929 -6.949 1.00 0.00 N ATOM 788 CA VAL A 57 -5.925 16.983 -6.073 1.00 0.00 C ATOM 789 C VAL A 57 -7.391 16.758 -5.718 1.00 0.00 C ATOM 790 O VAL A 57 -8.236 17.622 -5.948 1.00 0.00 O ATOM 791 CB VAL A 57 -5.773 18.370 -6.725 1.00 0.00 C ATOM 792 CG1 VAL A 57 -5.630 19.448 -5.661 1.00 0.00 C ATOM 793 CG2 VAL A 57 -4.584 18.384 -7.674 1.00 0.00 C ATOM 0 H VAL A 57 -6.151 15.480 -7.515 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.324 16.949 -5.164 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.673 18.582 -7.303 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.524 20.421 -6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.516 19.452 -5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.748 19.245 -5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.491 19.371 -8.126 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.674 18.151 -7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.734 17.640 -8.456 1.00 0.00 H new ATOM 803 N LEU A 58 -7.683 15.590 -5.153 1.00 0.00 N ATOM 804 CA LEU A 58 -9.046 15.249 -4.765 1.00 0.00 C ATOM 805 C LEU A 58 -9.401 15.879 -3.421 1.00 0.00 C ATOM 806 O LEU A 58 -8.571 16.544 -2.800 1.00 0.00 O ATOM 807 CB LEU A 58 -9.209 13.729 -4.691 1.00 0.00 C ATOM 808 CG LEU A 58 -8.093 12.926 -5.362 1.00 0.00 C ATOM 809 CD1 LEU A 58 -7.067 12.476 -4.334 1.00 0.00 C ATOM 810 CD2 LEU A 58 -8.671 11.728 -6.102 1.00 0.00 C ATOM 0 H LEU A 58 -6.994 14.865 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.725 15.644 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.268 13.436 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -10.159 13.458 -5.152 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.593 13.569 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.281 11.906 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.631 13.349 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.552 11.849 -3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.864 11.168 -6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.196 11.084 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -9.367 12.074 -6.866 1.00 0.00 H new ATOM 822 N PRO A 59 -10.645 15.681 -2.953 1.00 0.00 N ATOM 823 CA PRO A 59 -11.657 14.894 -3.669 1.00 0.00 C ATOM 824 C PRO A 59 -11.985 15.477 -5.038 1.00 0.00 C ATOM 825 O PRO A 59 -12.008 16.695 -5.216 1.00 0.00 O ATOM 826 CB PRO A 59 -12.887 14.964 -2.755 1.00 0.00 C ATOM 827 CG PRO A 59 -12.356 15.344 -1.416 1.00 0.00 C ATOM 828 CD PRO A 59 -11.158 16.210 -1.681 1.00 0.00 C ATOM 0 HA PRO A 59 -11.312 13.879 -3.864 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.606 15.699 -3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.404 14.005 -2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.106 15.881 -0.836 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.080 14.461 -0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.430 17.262 -1.762 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.419 16.132 -0.884 1.00 0.00 H new ATOM 836 N PHE A 60 -12.241 14.601 -6.004 1.00 0.00 N ATOM 837 CA PHE A 60 -12.571 15.029 -7.359 1.00 0.00 C ATOM 838 C PHE A 60 -13.908 14.446 -7.803 1.00 0.00 C ATOM 839 O PHE A 60 -14.024 13.245 -8.044 1.00 0.00 O ATOM 840 CB PHE A 60 -11.469 14.609 -8.333 1.00 0.00 C ATOM 841 CG PHE A 60 -11.449 13.135 -8.619 1.00 0.00 C ATOM 842 CD1 PHE A 60 -11.132 12.226 -7.623 1.00 0.00 C ATOM 843 CD2 PHE A 60 -11.748 12.658 -9.886 1.00 0.00 C ATOM 844 CE1 PHE A 60 -11.112 10.869 -7.883 1.00 0.00 C ATOM 845 CE2 PHE A 60 -11.730 11.302 -10.152 1.00 0.00 C ATOM 846 CZ PHE A 60 -11.411 10.406 -9.150 1.00 0.00 C ATOM 0 H PHE A 60 -12.226 13.589 -5.874 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.651 16.116 -7.360 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -11.598 15.151 -9.270 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.503 14.904 -7.924 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.898 12.582 -6.631 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -11.998 13.354 -10.674 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.863 10.171 -7.097 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -11.965 10.943 -11.143 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.395 9.346 -9.357 1.00 0.00 H new ATOM 856 N THR A 61 -14.917 15.305 -7.906 1.00 0.00 N ATOM 857 CA THR A 61 -16.246 14.880 -8.317 1.00 0.00 C ATOM 858 C THR A 61 -16.274 14.502 -9.795 1.00 0.00 C ATOM 859 O THR A 61 -15.466 14.991 -10.585 1.00 0.00 O ATOM 860 CB THR A 61 -17.283 15.989 -8.070 1.00 0.00 C ATOM 861 OG1 THR A 61 -16.746 17.258 -8.462 1.00 0.00 O ATOM 862 CG2 THR A 61 -17.694 16.040 -6.607 1.00 0.00 C ATOM 0 H THR A 61 -14.837 16.303 -7.709 1.00 0.00 H new ATOM 0 HA THR A 61 -16.499 14.006 -7.717 1.00 0.00 H new ATOM 0 HB THR A 61 -18.166 15.764 -8.669 1.00 0.00 H new ATOM 0 HG1 THR A 61 -17.413 17.958 -8.303 1.00 0.00 H new ATOM 0 HG21 THR A 61 -18.428 16.833 -6.463 1.00 0.00 H new ATOM 0 HG22 THR A 61 -18.131 15.084 -6.318 1.00 0.00 H new ATOM 0 HG23 THR A 61 -16.818 16.239 -5.990 1.00 0.00 H new ATOM 870 N TYR A 62 -17.216 13.640 -10.163 1.00 0.00 N ATOM 871 CA TYR A 62 -17.359 13.209 -11.549 1.00 0.00 C ATOM 872 C TYR A 62 -18.676 12.467 -11.756 1.00 0.00 C ATOM 873 O TYR A 62 -19.097 11.677 -10.912 1.00 0.00 O ATOM 874 CB TYR A 62 -16.177 12.330 -11.970 1.00 0.00 C ATOM 875 CG TYR A 62 -16.178 11.974 -13.437 1.00 0.00 C ATOM 876 CD1 TYR A 62 -16.925 10.902 -13.905 1.00 0.00 C ATOM 877 CD2 TYR A 62 -15.431 12.704 -14.352 1.00 0.00 C ATOM 878 CE1 TYR A 62 -16.929 10.566 -15.245 1.00 0.00 C ATOM 879 CE2 TYR A 62 -15.429 12.374 -15.694 1.00 0.00 C ATOM 880 CZ TYR A 62 -16.180 11.306 -16.136 1.00 0.00 C ATOM 881 OH TYR A 62 -16.181 10.974 -17.472 1.00 0.00 O ATOM 0 H TYR A 62 -17.892 13.226 -9.521 1.00 0.00 H new ATOM 0 HA TYR A 62 -17.366 14.099 -12.178 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.248 12.847 -11.731 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.191 11.412 -11.382 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -17.513 10.321 -13.210 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -14.843 13.542 -14.010 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.515 9.728 -15.593 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -14.842 12.950 -16.393 1.00 0.00 H new ATOM 0 HH TYR A 62 -15.604 11.595 -17.964 1.00 0.00 H new ATOM 891 N ASN A 63 -19.332 12.743 -12.880 1.00 0.00 N ATOM 892 CA ASN A 63 -20.611 12.116 -13.197 1.00 0.00 C ATOM 893 C ASN A 63 -21.707 12.617 -12.260 1.00 0.00 C ATOM 894 O ASN A 63 -22.837 12.131 -12.297 1.00 0.00 O ATOM 895 CB ASN A 63 -20.507 10.591 -13.101 1.00 0.00 C ATOM 896 CG ASN A 63 -19.619 9.999 -14.176 1.00 0.00 C ATOM 897 OD1 ASN A 63 -19.497 10.549 -15.270 1.00 0.00 O ATOM 898 ND2 ASN A 63 -18.997 8.866 -13.868 1.00 0.00 N ATOM 0 H ASN A 63 -18.998 13.398 -13.587 1.00 0.00 H new ATOM 0 HA ASN A 63 -20.870 12.388 -14.220 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -20.116 10.318 -12.121 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -21.504 10.157 -13.179 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -18.388 8.416 -14.552 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -19.128 8.446 -12.948 1.00 0.00 H new ATOM 905 N GLY A 64 -21.365 13.585 -11.413 1.00 0.00 N ATOM 906 CA GLY A 64 -22.330 14.123 -10.475 1.00 0.00 C ATOM 907 C GLY A 64 -22.089 13.623 -9.066 1.00 0.00 C ATOM 908 O GLY A 64 -22.832 13.957 -8.142 1.00 0.00 O ATOM 0 H GLY A 64 -20.437 14.005 -11.361 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -22.280 15.212 -10.487 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -23.336 13.847 -10.791 1.00 0.00 H new ATOM 912 N ARG A 65 -21.043 12.819 -8.902 1.00 0.00 N ATOM 913 CA ARG A 65 -20.698 12.266 -7.600 1.00 0.00 C ATOM 914 C ARG A 65 -19.435 12.928 -7.055 1.00 0.00 C ATOM 915 O ARG A 65 -18.937 13.897 -7.626 1.00 0.00 O ATOM 916 CB ARG A 65 -20.520 10.739 -7.713 1.00 0.00 C ATOM 917 CG ARG A 65 -19.076 10.253 -7.739 1.00 0.00 C ATOM 918 CD ARG A 65 -18.733 9.451 -6.495 1.00 0.00 C ATOM 919 NE ARG A 65 -18.874 8.014 -6.714 1.00 0.00 N ATOM 920 CZ ARG A 65 -18.499 7.095 -5.830 1.00 0.00 C ATOM 921 NH1 ARG A 65 -17.964 7.463 -4.675 1.00 0.00 N ATOM 922 NH2 ARG A 65 -18.659 5.807 -6.103 1.00 0.00 N ATOM 0 H ARG A 65 -20.419 12.536 -9.658 1.00 0.00 H new ATOM 0 HA ARG A 65 -21.508 12.469 -6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -21.030 10.267 -6.873 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -21.018 10.398 -8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -18.914 9.639 -8.625 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -18.405 11.108 -7.818 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -17.710 9.673 -6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -19.382 9.758 -5.675 1.00 0.00 H new ATOM 0 HE ARG A 65 -19.283 7.698 -7.594 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -17.839 8.453 -4.463 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -17.677 6.756 -3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -19.070 5.521 -6.992 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -18.371 5.102 -5.424 1.00 0.00 H new ATOM 936 N THR A 66 -18.916 12.388 -5.959 1.00 0.00 N ATOM 937 CA THR A 66 -17.705 12.918 -5.348 1.00 0.00 C ATOM 938 C THR A 66 -16.701 11.802 -5.077 1.00 0.00 C ATOM 939 O THR A 66 -16.992 10.859 -4.341 1.00 0.00 O ATOM 940 CB THR A 66 -18.012 13.653 -4.031 1.00 0.00 C ATOM 941 OG1 THR A 66 -18.863 14.777 -4.284 1.00 0.00 O ATOM 942 CG2 THR A 66 -16.729 14.123 -3.364 1.00 0.00 C ATOM 0 H THR A 66 -19.315 11.583 -5.476 1.00 0.00 H new ATOM 0 HA THR A 66 -17.276 13.629 -6.054 1.00 0.00 H new ATOM 0 HB THR A 66 -18.519 12.958 -3.361 1.00 0.00 H new ATOM 0 HG1 THR A 66 -19.055 15.238 -3.441 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.970 14.640 -2.435 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.096 13.263 -3.147 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.200 14.804 -4.031 1.00 0.00 H new ATOM 950 N PHE A 67 -15.521 11.914 -5.678 1.00 0.00 N ATOM 951 CA PHE A 67 -14.476 10.911 -5.503 1.00 0.00 C ATOM 952 C PHE A 67 -13.384 11.419 -4.567 1.00 0.00 C ATOM 953 O PHE A 67 -13.231 12.625 -4.373 1.00 0.00 O ATOM 954 CB PHE A 67 -13.870 10.533 -6.856 1.00 0.00 C ATOM 955 CG PHE A 67 -14.890 10.154 -7.893 1.00 0.00 C ATOM 956 CD1 PHE A 67 -15.811 11.085 -8.349 1.00 0.00 C ATOM 957 CD2 PHE A 67 -14.928 8.869 -8.411 1.00 0.00 C ATOM 958 CE1 PHE A 67 -16.749 10.740 -9.302 1.00 0.00 C ATOM 959 CE2 PHE A 67 -15.866 8.520 -9.366 1.00 0.00 C ATOM 960 CZ PHE A 67 -16.777 9.457 -9.811 1.00 0.00 C ATOM 0 H PHE A 67 -15.264 12.688 -6.290 1.00 0.00 H new ATOM 0 HA PHE A 67 -14.929 10.026 -5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.282 11.372 -7.228 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.182 9.700 -6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.795 12.090 -7.955 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -14.218 8.132 -8.065 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -17.461 11.474 -9.649 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -15.886 7.516 -9.763 1.00 0.00 H new ATOM 0 HZ PHE A 67 -17.510 9.187 -10.556 1.00 0.00 H new ATOM 970 N TYR A 68 -12.626 10.491 -3.992 1.00 0.00 N ATOM 971 CA TYR A 68 -11.547 10.844 -3.077 1.00 0.00 C ATOM 972 C TYR A 68 -10.287 10.041 -3.387 1.00 0.00 C ATOM 973 O TYR A 68 -9.340 10.027 -2.601 1.00 0.00 O ATOM 974 CB TYR A 68 -11.978 10.600 -1.629 1.00 0.00 C ATOM 975 CG TYR A 68 -13.257 11.308 -1.250 1.00 0.00 C ATOM 976 CD1 TYR A 68 -14.487 10.862 -1.718 1.00 0.00 C ATOM 977 CD2 TYR A 68 -13.237 12.424 -0.421 1.00 0.00 C ATOM 978 CE1 TYR A 68 -15.659 11.507 -1.373 1.00 0.00 C ATOM 979 CE2 TYR A 68 -14.405 13.074 -0.071 1.00 0.00 C ATOM 980 CZ TYR A 68 -15.613 12.612 -0.550 1.00 0.00 C ATOM 981 OH TYR A 68 -16.778 13.256 -0.203 1.00 0.00 O ATOM 0 H TYR A 68 -12.739 9.489 -4.144 1.00 0.00 H new ATOM 0 HA TYR A 68 -11.323 11.903 -3.209 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -12.106 9.529 -1.473 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.181 10.927 -0.962 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -14.527 9.996 -2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -12.293 12.789 -0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -16.607 11.147 -1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -14.372 13.939 0.574 1.00 0.00 H new ATOM 0 HH TYR A 68 -16.571 14.014 0.383 1.00 0.00 H new ATOM 991 N SER A 69 -10.283 9.377 -4.539 1.00 0.00 N ATOM 992 CA SER A 69 -9.138 8.574 -4.952 1.00 0.00 C ATOM 993 C SER A 69 -9.286 8.125 -6.404 1.00 0.00 C ATOM 994 O SER A 69 -10.385 8.127 -6.956 1.00 0.00 O ATOM 995 CB SER A 69 -8.989 7.353 -4.043 1.00 0.00 C ATOM 996 OG SER A 69 -9.953 6.361 -4.356 1.00 0.00 O ATOM 0 H SER A 69 -11.058 9.379 -5.202 1.00 0.00 H new ATOM 0 HA SER A 69 -8.244 9.191 -4.868 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.987 6.937 -4.149 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.099 7.656 -3.002 1.00 0.00 H new ATOM 0 HG SER A 69 -9.578 5.735 -5.010 1.00 0.00 H new ATOM 1002 N CYS A 70 -8.169 7.741 -7.015 1.00 0.00 N ATOM 1003 CA CYS A 70 -8.174 7.291 -8.403 1.00 0.00 C ATOM 1004 C CYS A 70 -9.444 6.505 -8.715 1.00 0.00 C ATOM 1005 O CYS A 70 -9.905 5.703 -7.904 1.00 0.00 O ATOM 1006 CB CYS A 70 -6.944 6.428 -8.686 1.00 0.00 C ATOM 1007 SG CYS A 70 -5.374 7.158 -8.119 1.00 0.00 S ATOM 0 H CYS A 70 -7.250 7.732 -6.572 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.146 8.172 -9.045 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.076 5.459 -8.205 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.881 6.246 -9.759 1.00 0.00 H new ATOM 1012 N THR A 71 -10.002 6.740 -9.898 1.00 0.00 N ATOM 1013 CA THR A 71 -11.218 6.055 -10.320 1.00 0.00 C ATOM 1014 C THR A 71 -11.231 5.840 -11.829 1.00 0.00 C ATOM 1015 O THR A 71 -10.634 6.612 -12.580 1.00 0.00 O ATOM 1016 CB THR A 71 -12.477 6.842 -9.914 1.00 0.00 C ATOM 1017 OG1 THR A 71 -13.625 5.985 -9.948 1.00 0.00 O ATOM 1018 CG2 THR A 71 -12.697 8.027 -10.843 1.00 0.00 C ATOM 0 H THR A 71 -9.631 7.400 -10.582 1.00 0.00 H new ATOM 0 HA THR A 71 -11.227 5.088 -9.817 1.00 0.00 H new ATOM 0 HB THR A 71 -12.333 7.215 -8.900 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.373 6.422 -9.490 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.592 8.568 -10.537 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.836 8.693 -10.793 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.821 7.670 -11.865 1.00 0.00 H new ATOM 1026 N THR A 72 -11.913 4.788 -12.266 1.00 0.00 N ATOM 1027 CA THR A 72 -12.003 4.472 -13.687 1.00 0.00 C ATOM 1028 C THR A 72 -13.174 5.200 -14.339 1.00 0.00 C ATOM 1029 O THR A 72 -13.281 5.250 -15.564 1.00 0.00 O ATOM 1030 CB THR A 72 -12.165 2.958 -13.917 1.00 0.00 C ATOM 1031 OG1 THR A 72 -13.246 2.454 -13.124 1.00 0.00 O ATOM 1032 CG2 THR A 72 -10.885 2.216 -13.565 1.00 0.00 C ATOM 0 H THR A 72 -12.412 4.139 -11.657 1.00 0.00 H new ATOM 0 HA THR A 72 -11.071 4.804 -14.144 1.00 0.00 H new ATOM 0 HB THR A 72 -12.382 2.796 -14.973 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.343 1.491 -13.278 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.025 1.149 -13.736 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.070 2.580 -14.190 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.642 2.387 -12.516 1.00 0.00 H new ATOM 1040 N GLU A 73 -14.051 5.759 -13.512 1.00 0.00 N ATOM 1041 CA GLU A 73 -15.216 6.483 -14.010 1.00 0.00 C ATOM 1042 C GLU A 73 -14.805 7.552 -15.016 1.00 0.00 C ATOM 1043 O GLU A 73 -14.643 8.721 -14.665 1.00 0.00 O ATOM 1044 CB GLU A 73 -15.977 7.125 -12.848 1.00 0.00 C ATOM 1045 CG GLU A 73 -17.378 6.565 -12.660 1.00 0.00 C ATOM 1046 CD GLU A 73 -18.047 7.073 -11.398 1.00 0.00 C ATOM 1047 OE1 GLU A 73 -17.694 6.587 -10.303 1.00 0.00 O ATOM 1048 OE2 GLU A 73 -18.925 7.954 -11.505 1.00 0.00 O ATOM 0 H GLU A 73 -13.978 5.725 -12.495 1.00 0.00 H new ATOM 0 HA GLU A 73 -15.868 5.769 -14.514 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.410 6.981 -11.928 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.043 8.200 -13.017 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.990 6.830 -13.522 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.328 5.477 -12.627 1.00 0.00 H new ATOM 1055 N GLY A 74 -14.638 7.144 -16.270 1.00 0.00 N ATOM 1056 CA GLY A 74 -14.246 8.079 -17.307 1.00 0.00 C ATOM 1057 C GLY A 74 -13.329 7.451 -18.338 1.00 0.00 C ATOM 1058 O GLY A 74 -13.366 7.811 -19.515 1.00 0.00 O ATOM 0 H GLY A 74 -14.767 6.183 -16.586 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.138 8.461 -17.803 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.744 8.933 -16.851 1.00 0.00 H new ATOM 1062 N ARG A 75 -12.502 6.509 -17.896 1.00 0.00 N ATOM 1063 CA ARG A 75 -11.570 5.828 -18.787 1.00 0.00 C ATOM 1064 C ARG A 75 -12.167 4.526 -19.308 1.00 0.00 C ATOM 1065 O ARG A 75 -13.340 4.232 -19.074 1.00 0.00 O ATOM 1066 CB ARG A 75 -10.253 5.546 -18.063 1.00 0.00 C ATOM 1067 CG ARG A 75 -9.389 6.782 -17.866 1.00 0.00 C ATOM 1068 CD ARG A 75 -8.180 6.768 -18.786 1.00 0.00 C ATOM 1069 NE ARG A 75 -8.500 6.221 -20.102 1.00 0.00 N ATOM 1070 CZ ARG A 75 -7.649 6.216 -21.124 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -6.433 6.726 -20.980 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -8.014 5.702 -22.290 1.00 0.00 N ATOM 0 H ARG A 75 -12.458 6.200 -16.925 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.376 6.482 -19.637 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.470 5.106 -17.090 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.689 4.805 -18.629 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.982 7.676 -18.057 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.058 6.834 -16.829 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.798 7.783 -18.898 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.385 6.177 -18.331 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.427 5.821 -20.245 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.149 7.123 -20.084 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.782 6.721 -21.765 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.949 5.310 -22.404 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.360 5.699 -23.073 1.00 0.00 H new ATOM 1086 N GLN A 76 -11.354 3.748 -20.013 1.00 0.00 N ATOM 1087 CA GLN A 76 -11.803 2.475 -20.567 1.00 0.00 C ATOM 1088 C GLN A 76 -10.615 1.595 -20.942 1.00 0.00 C ATOM 1089 O GLN A 76 -10.674 0.832 -21.905 1.00 0.00 O ATOM 1090 CB GLN A 76 -12.684 2.712 -21.795 1.00 0.00 C ATOM 1091 CG GLN A 76 -14.171 2.724 -21.482 1.00 0.00 C ATOM 1092 CD GLN A 76 -14.893 1.510 -22.033 1.00 0.00 C ATOM 1093 OE1 GLN A 76 -15.570 0.790 -21.300 1.00 0.00 O ATOM 1094 NE2 GLN A 76 -14.750 1.275 -23.332 1.00 0.00 N ATOM 0 H GLN A 76 -10.380 3.976 -20.215 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.386 1.961 -19.803 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -12.409 3.663 -22.251 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.482 1.935 -22.532 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -14.311 2.766 -20.402 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -14.618 3.627 -21.897 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -14.179 1.898 -23.903 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -15.211 0.471 -23.759 1.00 0.00 H new ATOM 1103 N ASP A 77 -9.536 1.707 -20.173 1.00 0.00 N ATOM 1104 CA ASP A 77 -8.334 0.921 -20.424 1.00 0.00 C ATOM 1105 C ASP A 77 -7.993 0.047 -19.222 1.00 0.00 C ATOM 1106 O ASP A 77 -7.151 -0.846 -19.309 1.00 0.00 O ATOM 1107 CB ASP A 77 -7.156 1.843 -20.748 1.00 0.00 C ATOM 1108 CG ASP A 77 -7.597 3.138 -21.402 1.00 0.00 C ATOM 1109 OD1 ASP A 77 -8.499 3.803 -20.850 1.00 0.00 O ATOM 1110 OD2 ASP A 77 -7.040 3.487 -22.463 1.00 0.00 O ATOM 0 H ASP A 77 -9.470 2.334 -19.371 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.527 0.272 -21.279 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.613 2.069 -19.831 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.463 1.323 -21.409 1.00 0.00 H new ATOM 1115 N GLY A 78 -8.655 0.309 -18.099 1.00 0.00 N ATOM 1116 CA GLY A 78 -8.409 -0.463 -16.896 1.00 0.00 C ATOM 1117 C GLY A 78 -7.952 0.401 -15.736 1.00 0.00 C ATOM 1118 O GLY A 78 -8.607 0.450 -14.695 1.00 0.00 O ATOM 0 H GLY A 78 -9.357 1.042 -18.001 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.320 -0.992 -16.615 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.652 -1.220 -17.102 1.00 0.00 H new ATOM 1122 N HIS A 79 -6.826 1.082 -15.916 1.00 0.00 N ATOM 1123 CA HIS A 79 -6.282 1.949 -14.877 1.00 0.00 C ATOM 1124 C HIS A 79 -7.282 3.036 -14.496 1.00 0.00 C ATOM 1125 O HIS A 79 -8.228 3.308 -15.234 1.00 0.00 O ATOM 1126 CB HIS A 79 -4.973 2.585 -15.347 1.00 0.00 C ATOM 1127 CG HIS A 79 -5.119 3.400 -16.595 1.00 0.00 C ATOM 1128 ND1 HIS A 79 -4.049 3.975 -17.249 1.00 0.00 N ATOM 1129 CD2 HIS A 79 -6.219 3.735 -17.312 1.00 0.00 C ATOM 1130 CE1 HIS A 79 -4.484 4.629 -18.310 1.00 0.00 C ATOM 1131 NE2 HIS A 79 -5.796 4.499 -18.372 1.00 0.00 N ATOM 0 H HIS A 79 -6.272 1.051 -16.772 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.084 1.338 -13.996 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.581 3.219 -14.552 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.238 1.799 -15.520 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.074 3.906 -16.958 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.238 3.454 -17.091 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.870 5.178 -19.009 1.00 0.00 H new ATOM 1140 N LEU A 80 -7.065 3.653 -13.339 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.947 4.711 -12.861 1.00 0.00 C ATOM 1142 C LEU A 80 -7.296 6.080 -13.027 1.00 0.00 C ATOM 1143 O LEU A 80 -6.113 6.180 -13.354 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.306 4.478 -11.392 1.00 0.00 C ATOM 1145 CG LEU A 80 -8.740 3.052 -11.050 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -7.554 2.105 -11.114 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -9.390 3.007 -9.676 1.00 0.00 C ATOM 0 H LEU A 80 -6.287 3.439 -12.716 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.858 4.688 -13.459 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.443 4.736 -10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.109 5.162 -11.117 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.476 2.729 -11.787 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.881 1.095 -10.868 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.134 2.115 -12.120 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.794 2.424 -10.400 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.692 1.984 -9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.678 3.349 -8.925 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.266 3.655 -9.667 1.00 0.00 H new ATOM 1159 N TRP A 81 -8.075 7.131 -12.800 1.00 0.00 N ATOM 1160 CA TRP A 81 -7.574 8.496 -12.925 1.00 0.00 C ATOM 1161 C TRP A 81 -7.961 9.330 -11.708 1.00 0.00 C ATOM 1162 O TRP A 81 -8.941 9.034 -11.026 1.00 0.00 O ATOM 1163 CB TRP A 81 -8.119 9.147 -14.198 1.00 0.00 C ATOM 1164 CG TRP A 81 -9.613 9.249 -14.218 1.00 0.00 C ATOM 1165 CD1 TRP A 81 -10.497 8.260 -14.542 1.00 0.00 C ATOM 1166 CD2 TRP A 81 -10.399 10.403 -13.904 1.00 0.00 C ATOM 1167 NE1 TRP A 81 -11.784 8.728 -14.444 1.00 0.00 N ATOM 1168 CE2 TRP A 81 -11.751 10.041 -14.055 1.00 0.00 C ATOM 1169 CE3 TRP A 81 -10.091 11.708 -13.508 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 -12.792 10.937 -13.825 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 -11.125 12.596 -13.279 1.00 0.00 C ATOM 1172 CH2 TRP A 81 -12.462 12.208 -13.438 1.00 0.00 C ATOM 0 H TRP A 81 -9.056 7.065 -12.528 1.00 0.00 H new ATOM 0 HA TRP A 81 -6.486 8.454 -12.984 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -7.692 10.145 -14.299 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -7.789 8.571 -15.062 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -10.224 7.256 -14.833 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -12.628 8.186 -14.631 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -9.064 12.017 -13.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -13.823 10.640 -13.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -10.899 13.606 -12.972 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -13.247 12.926 -13.252 1.00 0.00 H new ATOM 1183 N CYS A 82 -7.184 10.375 -11.443 1.00 0.00 N ATOM 1184 CA CYS A 82 -7.446 11.253 -10.308 1.00 0.00 C ATOM 1185 C CYS A 82 -7.225 12.714 -10.689 1.00 0.00 C ATOM 1186 O CYS A 82 -6.104 13.125 -10.985 1.00 0.00 O ATOM 1187 CB CYS A 82 -6.547 10.880 -9.128 1.00 0.00 C ATOM 1188 SG CYS A 82 -4.771 10.829 -9.533 1.00 0.00 S ATOM 0 H CYS A 82 -6.369 10.635 -11.998 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.488 11.125 -10.015 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.705 11.598 -8.324 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -6.850 9.904 -8.748 1.00 0.00 H new ATOM 1193 N SER A 83 -8.302 13.492 -10.680 1.00 0.00 N ATOM 1194 CA SER A 83 -8.227 14.906 -11.024 1.00 0.00 C ATOM 1195 C SER A 83 -6.997 15.555 -10.395 1.00 0.00 C ATOM 1196 O SER A 83 -6.741 15.395 -9.202 1.00 0.00 O ATOM 1197 CB SER A 83 -9.492 15.634 -10.565 1.00 0.00 C ATOM 1198 OG SER A 83 -9.369 16.075 -9.224 1.00 0.00 O ATOM 0 H SER A 83 -9.238 13.166 -10.438 1.00 0.00 H new ATOM 0 HA SER A 83 -8.144 14.985 -12.108 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.680 16.488 -11.216 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.351 14.969 -10.655 1.00 0.00 H new ATOM 0 HG SER A 83 -9.763 16.968 -9.136 1.00 0.00 H new ATOM 1204 N THR A 84 -6.242 16.287 -11.206 1.00 0.00 N ATOM 1205 CA THR A 84 -5.040 16.961 -10.732 1.00 0.00 C ATOM 1206 C THR A 84 -5.328 18.418 -10.386 1.00 0.00 C ATOM 1207 O THR A 84 -4.548 19.310 -10.717 1.00 0.00 O ATOM 1208 CB THR A 84 -3.913 16.907 -11.779 1.00 0.00 C ATOM 1209 OG1 THR A 84 -4.462 17.030 -13.097 1.00 0.00 O ATOM 1210 CG2 THR A 84 -3.134 15.604 -11.669 1.00 0.00 C ATOM 0 H THR A 84 -6.442 16.429 -12.196 1.00 0.00 H new ATOM 0 HA THR A 84 -4.716 16.433 -9.835 1.00 0.00 H new ATOM 0 HB THR A 84 -3.232 17.737 -11.590 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.942 16.481 -13.720 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.343 15.589 -12.419 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.693 15.526 -10.675 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.807 14.763 -11.834 1.00 0.00 H new ATOM 1218 N THR A 85 -6.454 18.651 -9.718 1.00 0.00 N ATOM 1219 CA THR A 85 -6.845 19.999 -9.327 1.00 0.00 C ATOM 1220 C THR A 85 -8.129 19.982 -8.506 1.00 0.00 C ATOM 1221 O THR A 85 -9.175 19.536 -8.980 1.00 0.00 O ATOM 1222 CB THR A 85 -7.048 20.904 -10.557 1.00 0.00 C ATOM 1223 OG1 THR A 85 -7.544 20.132 -11.657 1.00 0.00 O ATOM 1224 CG2 THR A 85 -5.744 21.580 -10.952 1.00 0.00 C ATOM 0 H THR A 85 -7.111 17.923 -9.437 1.00 0.00 H new ATOM 0 HA THR A 85 -6.033 20.400 -8.720 1.00 0.00 H new ATOM 0 HB THR A 85 -7.774 21.674 -10.298 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.290 19.573 -11.354 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.912 22.214 -11.823 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.385 22.190 -10.123 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.000 20.821 -11.194 1.00 0.00 H new ATOM 1232 N SER A 86 -8.044 20.468 -7.273 1.00 0.00 N ATOM 1233 CA SER A 86 -9.200 20.509 -6.384 1.00 0.00 C ATOM 1234 C SER A 86 -10.475 20.816 -7.164 1.00 0.00 C ATOM 1235 O SER A 86 -11.560 20.362 -6.802 1.00 0.00 O ATOM 1236 CB SER A 86 -8.993 21.557 -5.290 1.00 0.00 C ATOM 1237 OG SER A 86 -10.230 22.091 -4.853 1.00 0.00 O ATOM 0 H SER A 86 -7.186 20.840 -6.865 1.00 0.00 H new ATOM 0 HA SER A 86 -9.305 19.528 -5.921 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.469 21.108 -4.446 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.360 22.360 -5.667 1.00 0.00 H new ATOM 0 HG SER A 86 -10.069 22.757 -4.153 1.00 0.00 H new ATOM 1243 N ASN A 87 -10.335 21.590 -8.235 1.00 0.00 N ATOM 1244 CA ASN A 87 -11.476 21.958 -9.066 1.00 0.00 C ATOM 1245 C ASN A 87 -11.434 21.224 -10.403 1.00 0.00 C ATOM 1246 O ASN A 87 -11.264 21.840 -11.455 1.00 0.00 O ATOM 1247 CB ASN A 87 -11.496 23.469 -9.301 1.00 0.00 C ATOM 1248 CG ASN A 87 -11.564 24.255 -8.006 1.00 0.00 C ATOM 1249 OD1 ASN A 87 -10.544 24.519 -7.371 1.00 0.00 O ATOM 1250 ND2 ASN A 87 -12.774 24.633 -7.608 1.00 0.00 N ATOM 0 H ASN A 87 -9.444 21.974 -8.548 1.00 0.00 H new ATOM 0 HA ASN A 87 -12.386 21.667 -8.540 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -10.602 23.760 -9.853 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -12.353 23.726 -9.924 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.884 25.164 -6.744 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.593 24.392 -8.166 1.00 0.00 H new ATOM 1257 N TYR A 88 -11.591 19.905 -10.354 1.00 0.00 N ATOM 1258 CA TYR A 88 -11.572 19.087 -11.560 1.00 0.00 C ATOM 1259 C TYR A 88 -12.429 19.712 -12.656 1.00 0.00 C ATOM 1260 O TYR A 88 -11.932 20.051 -13.731 1.00 0.00 O ATOM 1261 CB TYR A 88 -12.069 17.674 -11.252 1.00 0.00 C ATOM 1262 CG TYR A 88 -12.339 16.843 -12.486 1.00 0.00 C ATOM 1263 CD1 TYR A 88 -11.296 16.404 -13.292 1.00 0.00 C ATOM 1264 CD2 TYR A 88 -13.636 16.498 -12.844 1.00 0.00 C ATOM 1265 CE1 TYR A 88 -11.539 15.645 -14.421 1.00 0.00 C ATOM 1266 CE2 TYR A 88 -13.886 15.738 -13.972 1.00 0.00 C ATOM 1267 CZ TYR A 88 -12.835 15.314 -14.756 1.00 0.00 C ATOM 1268 OH TYR A 88 -13.079 14.558 -15.879 1.00 0.00 O ATOM 0 H TYR A 88 -11.733 19.380 -9.491 1.00 0.00 H new ATOM 0 HA TYR A 88 -10.543 19.033 -11.915 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -11.328 17.164 -10.636 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -12.983 17.740 -10.662 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.279 16.660 -13.032 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -14.462 16.828 -12.232 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.717 15.313 -15.038 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -14.900 15.478 -14.237 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.708 13.839 -15.659 1.00 0.00 H new ATOM 1278 N GLU A 89 -13.720 19.861 -12.378 1.00 0.00 N ATOM 1279 CA GLU A 89 -14.648 20.443 -13.340 1.00 0.00 C ATOM 1280 C GLU A 89 -14.146 21.798 -13.829 1.00 0.00 C ATOM 1281 O GLU A 89 -14.570 22.287 -14.876 1.00 0.00 O ATOM 1282 CB GLU A 89 -16.035 20.596 -12.712 1.00 0.00 C ATOM 1283 CG GLU A 89 -16.384 19.491 -11.729 1.00 0.00 C ATOM 1284 CD GLU A 89 -17.818 19.018 -11.869 1.00 0.00 C ATOM 1285 OE1 GLU A 89 -18.736 19.819 -11.594 1.00 0.00 O ATOM 1286 OE2 GLU A 89 -18.022 17.847 -12.254 1.00 0.00 O ATOM 0 H GLU A 89 -14.147 19.586 -11.493 1.00 0.00 H new ATOM 0 HA GLU A 89 -14.716 19.771 -14.195 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -16.089 21.557 -12.200 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -16.783 20.615 -13.504 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.711 18.648 -11.882 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.221 19.849 -10.712 1.00 0.00 H new ATOM 1293 N GLN A 90 -13.241 22.400 -13.065 1.00 0.00 N ATOM 1294 CA GLN A 90 -12.681 23.699 -13.420 1.00 0.00 C ATOM 1295 C GLN A 90 -11.453 23.538 -14.310 1.00 0.00 C ATOM 1296 O GLN A 90 -11.479 23.886 -15.491 1.00 0.00 O ATOM 1297 CB GLN A 90 -12.313 24.481 -12.159 1.00 0.00 C ATOM 1298 CG GLN A 90 -11.734 25.858 -12.444 1.00 0.00 C ATOM 1299 CD GLN A 90 -12.761 26.963 -12.302 1.00 0.00 C ATOM 1300 OE1 GLN A 90 -13.917 26.783 -12.932 1.00 0.00 O flip ATOM 1301 NE2 GLN A 90 -12.520 27.969 -11.635 1.00 0.00 N flip ATOM 0 H GLN A 90 -12.879 22.009 -12.195 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.438 24.253 -13.974 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -13.202 24.591 -11.538 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.590 23.904 -11.582 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.905 26.048 -11.762 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -11.326 25.874 -13.454 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.619 28.067 -11.167 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -13.221 28.705 -11.550 1.00 0.00 H new ATOM 1310 N ASP A 91 -10.378 23.008 -13.736 1.00 0.00 N ATOM 1311 CA ASP A 91 -9.139 22.802 -14.476 1.00 0.00 C ATOM 1312 C ASP A 91 -9.277 21.642 -15.457 1.00 0.00 C ATOM 1313 O ASP A 91 -8.836 21.730 -16.603 1.00 0.00 O ATOM 1314 CB ASP A 91 -7.982 22.534 -13.511 1.00 0.00 C ATOM 1315 CG ASP A 91 -7.355 23.812 -12.991 1.00 0.00 C ATOM 1316 OD1 ASP A 91 -6.743 24.544 -13.797 1.00 0.00 O ATOM 1317 OD2 ASP A 91 -7.475 24.082 -11.777 1.00 0.00 O ATOM 0 H ASP A 91 -10.340 22.713 -12.760 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.928 23.710 -15.042 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.343 21.942 -12.670 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.221 21.939 -14.016 1.00 0.00 H new ATOM 1322 N GLN A 92 -9.892 20.556 -14.999 1.00 0.00 N ATOM 1323 CA GLN A 92 -10.089 19.379 -15.835 1.00 0.00 C ATOM 1324 C GLN A 92 -8.861 18.473 -15.799 1.00 0.00 C ATOM 1325 O GLN A 92 -8.910 17.326 -16.242 1.00 0.00 O ATOM 1326 CB GLN A 92 -10.388 19.794 -17.277 1.00 0.00 C ATOM 1327 CG GLN A 92 -11.247 18.792 -18.033 1.00 0.00 C ATOM 1328 CD GLN A 92 -12.703 19.206 -18.100 1.00 0.00 C ATOM 1329 OE1 GLN A 92 -13.382 18.972 -19.099 1.00 0.00 O ATOM 1330 NE2 GLN A 92 -13.192 19.826 -17.031 1.00 0.00 N ATOM 0 H GLN A 92 -10.262 20.468 -14.053 1.00 0.00 H new ATOM 0 HA GLN A 92 -10.940 18.824 -15.440 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.892 20.760 -17.271 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.447 19.928 -17.810 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.859 18.677 -19.045 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -11.172 17.818 -17.550 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.593 20.000 -16.224 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -14.166 20.128 -17.018 1.00 0.00 H new ATOM 1339 N LYS A 93 -7.762 18.997 -15.265 1.00 0.00 N ATOM 1340 CA LYS A 93 -6.523 18.236 -15.170 1.00 0.00 C ATOM 1341 C LYS A 93 -6.743 16.932 -14.410 1.00 0.00 C ATOM 1342 O LYS A 93 -7.593 16.855 -13.522 1.00 0.00 O ATOM 1343 CB LYS A 93 -5.441 19.067 -14.478 1.00 0.00 C ATOM 1344 CG LYS A 93 -4.038 18.791 -14.992 1.00 0.00 C ATOM 1345 CD LYS A 93 -3.443 20.014 -15.671 1.00 0.00 C ATOM 1346 CE LYS A 93 -2.274 20.578 -14.878 1.00 0.00 C ATOM 1347 NZ LYS A 93 -1.851 21.913 -15.386 1.00 0.00 N ATOM 0 H LYS A 93 -7.705 19.945 -14.892 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.195 17.996 -16.181 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.666 20.125 -14.612 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.472 18.868 -13.407 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.399 18.487 -14.163 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.064 17.959 -15.696 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.109 19.748 -16.674 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.211 20.779 -15.783 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.554 20.661 -13.828 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.433 19.887 -14.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.052 22.263 -14.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.559 21.829 -16.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.646 22.580 -15.313 1.00 0.00 H new ATOM 1361 N TYR A 94 -5.972 15.909 -14.761 1.00 0.00 N ATOM 1362 CA TYR A 94 -6.085 14.608 -14.111 1.00 0.00 C ATOM 1363 C TYR A 94 -4.875 13.734 -14.423 1.00 0.00 C ATOM 1364 O TYR A 94 -4.051 14.076 -15.272 1.00 0.00 O ATOM 1365 CB TYR A 94 -7.366 13.901 -14.557 1.00 0.00 C ATOM 1366 CG TYR A 94 -7.466 13.716 -16.054 1.00 0.00 C ATOM 1367 CD1 TYR A 94 -6.597 12.867 -16.727 1.00 0.00 C ATOM 1368 CD2 TYR A 94 -8.429 14.391 -16.794 1.00 0.00 C ATOM 1369 CE1 TYR A 94 -6.684 12.696 -18.096 1.00 0.00 C ATOM 1370 CE2 TYR A 94 -8.522 14.225 -18.162 1.00 0.00 C ATOM 1371 CZ TYR A 94 -7.648 13.376 -18.809 1.00 0.00 C ATOM 1372 OH TYR A 94 -7.738 13.209 -20.172 1.00 0.00 O ATOM 0 H TYR A 94 -5.262 15.955 -15.492 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.123 14.772 -13.034 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.419 12.925 -14.074 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.226 14.474 -14.212 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.841 12.332 -16.172 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.116 15.056 -16.291 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.000 12.033 -18.604 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.276 14.758 -18.723 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.470 13.758 -20.521 1.00 0.00 H new ATOM 1382 N SER A 95 -4.774 12.604 -13.730 1.00 0.00 N ATOM 1383 CA SER A 95 -3.665 11.679 -13.934 1.00 0.00 C ATOM 1384 C SER A 95 -4.102 10.241 -13.669 1.00 0.00 C ATOM 1385 O SER A 95 -4.806 9.965 -12.698 1.00 0.00 O ATOM 1386 CB SER A 95 -2.494 12.044 -13.020 1.00 0.00 C ATOM 1387 OG SER A 95 -2.065 13.376 -13.248 1.00 0.00 O ATOM 0 H SER A 95 -5.446 12.307 -13.023 1.00 0.00 H new ATOM 0 HA SER A 95 -3.344 11.758 -14.973 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.792 11.928 -11.978 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.666 11.357 -13.193 1.00 0.00 H new ATOM 0 HG SER A 95 -1.102 13.383 -13.429 1.00 0.00 H new ATOM 1393 N PHE A 96 -3.679 9.331 -14.538 1.00 0.00 N ATOM 1394 CA PHE A 96 -4.028 7.921 -14.398 1.00 0.00 C ATOM 1395 C PHE A 96 -3.069 7.213 -13.448 1.00 0.00 C ATOM 1396 O PHE A 96 -1.850 7.298 -13.602 1.00 0.00 O ATOM 1397 CB PHE A 96 -4.012 7.232 -15.764 1.00 0.00 C ATOM 1398 CG PHE A 96 -4.270 8.166 -16.911 1.00 0.00 C ATOM 1399 CD1 PHE A 96 -5.439 8.908 -16.967 1.00 0.00 C ATOM 1400 CD2 PHE A 96 -3.345 8.303 -17.933 1.00 0.00 C ATOM 1401 CE1 PHE A 96 -5.680 9.769 -18.020 1.00 0.00 C ATOM 1402 CE2 PHE A 96 -3.580 9.162 -18.989 1.00 0.00 C ATOM 1403 CZ PHE A 96 -4.749 9.896 -19.032 1.00 0.00 C ATOM 0 H PHE A 96 -3.094 9.543 -15.347 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.033 7.862 -13.980 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -3.044 6.752 -15.908 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -4.764 6.443 -15.773 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.170 8.812 -16.178 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -2.429 7.731 -17.904 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -6.595 10.342 -18.052 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.851 9.259 -19.780 1.00 0.00 H new ATOM 0 HZ PHE A 96 -4.935 10.569 -19.856 1.00 0.00 H new ATOM 1413 N CYS A 97 -3.627 6.511 -12.466 1.00 0.00 N ATOM 1414 CA CYS A 97 -2.821 5.786 -11.491 1.00 0.00 C ATOM 1415 C CYS A 97 -2.722 4.309 -11.862 1.00 0.00 C ATOM 1416 O CYS A 97 -3.407 3.842 -12.773 1.00 0.00 O ATOM 1417 CB CYS A 97 -3.422 5.933 -10.092 1.00 0.00 C ATOM 1418 SG CYS A 97 -4.343 7.485 -9.836 1.00 0.00 S ATOM 0 H CYS A 97 -4.634 6.429 -12.325 1.00 0.00 H new ATOM 0 HA CYS A 97 -1.818 6.212 -11.494 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -4.090 5.092 -9.905 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -2.620 5.873 -9.356 1.00 0.00 H new ATOM 1423 N THR A 98 -1.868 3.580 -11.153 1.00 0.00 N ATOM 1424 CA THR A 98 -1.684 2.157 -11.412 1.00 0.00 C ATOM 1425 C THR A 98 -2.646 1.317 -10.583 1.00 0.00 C ATOM 1426 O THR A 98 -2.579 1.309 -9.355 1.00 0.00 O ATOM 1427 CB THR A 98 -0.245 1.708 -11.110 1.00 0.00 C ATOM 1428 OG1 THR A 98 -0.099 1.428 -9.713 1.00 0.00 O ATOM 1429 CG2 THR A 98 0.754 2.778 -11.526 1.00 0.00 C ATOM 0 H THR A 98 -1.293 3.950 -10.396 1.00 0.00 H new ATOM 0 HA THR A 98 -1.889 2.004 -12.472 1.00 0.00 H new ATOM 0 HB THR A 98 -0.044 0.803 -11.683 1.00 0.00 H new ATOM 0 HG1 THR A 98 -0.917 1.687 -9.240 1.00 0.00 H new ATOM 0 HG21 THR A 98 1.765 2.438 -11.303 1.00 0.00 H new ATOM 0 HG22 THR A 98 0.662 2.965 -12.596 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.551 3.698 -10.978 1.00 0.00 H new ATOM 1437 N ASP A 99 -3.540 0.612 -11.273 1.00 0.00 N ATOM 1438 CA ASP A 99 -4.530 -0.240 -10.619 1.00 0.00 C ATOM 1439 C ASP A 99 -4.910 0.307 -9.251 1.00 0.00 C ATOM 1440 O ASP A 99 -5.129 -0.450 -8.305 1.00 0.00 O ATOM 1441 CB ASP A 99 -4.002 -1.670 -10.485 1.00 0.00 C ATOM 1442 CG ASP A 99 -4.260 -2.500 -11.727 1.00 0.00 C ATOM 1443 OD1 ASP A 99 -5.373 -3.056 -11.849 1.00 0.00 O ATOM 1444 OD2 ASP A 99 -3.351 -2.596 -12.578 1.00 0.00 O ATOM 0 H ASP A 99 -3.599 0.615 -12.291 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.424 -0.250 -11.242 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.931 -1.642 -10.286 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.473 -2.149 -9.627 1.00 0.00 H new ATOM 1449 N HIS A 100 -4.983 1.629 -9.165 1.00 0.00 N ATOM 1450 CA HIS A 100 -5.334 2.310 -7.922 1.00 0.00 C ATOM 1451 C HIS A 100 -4.873 1.514 -6.706 1.00 0.00 C ATOM 1452 O HIS A 100 -5.600 1.385 -5.722 1.00 0.00 O ATOM 1453 CB HIS A 100 -6.845 2.545 -7.851 1.00 0.00 C ATOM 1454 CG HIS A 100 -7.281 3.266 -6.613 1.00 0.00 C ATOM 1455 ND1 HIS A 100 -6.567 3.947 -5.686 1.00 0.00 N flip ATOM 1456 CD2 HIS A 100 -8.598 3.341 -6.211 1.00 0.00 C flip ATOM 1457 CE1 HIS A 100 -7.457 4.416 -4.751 1.00 0.00 C flip ATOM 1458 NE2 HIS A 100 -8.675 4.037 -5.090 1.00 0.00 N flip ATOM 0 H HIS A 100 -4.802 2.257 -9.948 1.00 0.00 H new ATOM 0 HA HIS A 100 -4.822 3.272 -7.913 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -7.157 3.118 -8.724 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -7.357 1.584 -7.901 1.00 0.00 H new ATOM 0 HD1 HIS A 100 -5.557 4.086 -5.683 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -9.436 2.900 -6.731 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -7.202 5.000 -3.879 1.00 0.00 H new ATOM 1467 N THR A 101 -3.661 0.980 -6.787 1.00 0.00 N ATOM 1468 CA THR A 101 -3.098 0.193 -5.703 1.00 0.00 C ATOM 1469 C THR A 101 -1.586 0.407 -5.609 1.00 0.00 C ATOM 1470 O THR A 101 -0.922 0.669 -6.612 1.00 0.00 O ATOM 1471 CB THR A 101 -3.419 -1.309 -5.899 1.00 0.00 C ATOM 1472 OG1 THR A 101 -4.633 -1.640 -5.216 1.00 0.00 O ATOM 1473 CG2 THR A 101 -2.295 -2.203 -5.393 1.00 0.00 C ATOM 0 H THR A 101 -3.049 1.080 -7.597 1.00 0.00 H new ATOM 0 HA THR A 101 -3.551 0.525 -4.769 1.00 0.00 H new ATOM 0 HB THR A 101 -3.531 -1.483 -6.969 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.217 -0.854 -5.187 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.562 -3.248 -5.550 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.378 -1.977 -5.937 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.139 -2.025 -4.329 1.00 0.00 H new ATOM 1481 N VAL A 102 -1.053 0.289 -4.397 1.00 0.00 N ATOM 1482 CA VAL A 102 0.377 0.464 -4.168 1.00 0.00 C ATOM 1483 C VAL A 102 0.797 -0.172 -2.847 1.00 0.00 C ATOM 1484 O VAL A 102 1.521 0.434 -2.057 1.00 0.00 O ATOM 1485 CB VAL A 102 0.769 1.954 -4.154 1.00 0.00 C ATOM 1486 CG1 VAL A 102 2.217 2.128 -4.586 1.00 0.00 C ATOM 1487 CG2 VAL A 102 -0.162 2.762 -5.044 1.00 0.00 C ATOM 0 H VAL A 102 -1.590 0.073 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 102 0.893 -0.029 -4.992 1.00 0.00 H new ATOM 0 HB VAL A 102 0.670 2.327 -3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.477 3.186 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.869 1.584 -3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.345 1.738 -5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.132 3.811 -5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.100 2.391 -6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.186 2.664 -4.684 1.00 0.00 H new ATOM 1497 N LEU A 103 0.334 -1.395 -2.616 1.00 0.00 N ATOM 1498 CA LEU A 103 0.657 -2.116 -1.389 1.00 0.00 C ATOM 1499 C LEU A 103 0.323 -3.597 -1.525 1.00 0.00 C ATOM 1500 O LEU A 103 -0.675 -3.965 -2.146 1.00 0.00 O ATOM 1501 CB LEU A 103 -0.111 -1.518 -0.211 1.00 0.00 C ATOM 1502 CG LEU A 103 -1.448 -0.873 -0.576 1.00 0.00 C ATOM 1503 CD1 LEU A 103 -2.566 -1.904 -0.536 1.00 0.00 C ATOM 1504 CD2 LEU A 103 -1.754 0.288 0.357 1.00 0.00 C ATOM 0 H LEU A 103 -0.266 -1.909 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 103 1.727 -2.018 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.291 -2.304 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.517 -0.769 0.271 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.377 -0.484 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.510 -1.427 -0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.352 -2.701 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.638 -2.324 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.710 0.734 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.805 -0.074 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.967 1.037 0.276 1.00 0.00 H new ATOM 1516 N VAL A 104 1.159 -4.442 -0.934 1.00 0.00 N ATOM 1517 CA VAL A 104 0.947 -5.884 -0.982 1.00 0.00 C ATOM 1518 C VAL A 104 0.451 -6.398 0.364 1.00 0.00 C ATOM 1519 O VAL A 104 1.059 -6.131 1.398 1.00 0.00 O ATOM 1520 CB VAL A 104 2.242 -6.631 -1.366 1.00 0.00 C ATOM 1521 CG1 VAL A 104 2.134 -8.114 -1.032 1.00 0.00 C ATOM 1522 CG2 VAL A 104 2.552 -6.435 -2.840 1.00 0.00 C ATOM 0 H VAL A 104 1.989 -4.154 -0.416 1.00 0.00 H new ATOM 0 HA VAL A 104 0.193 -6.076 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 104 3.062 -6.213 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.059 -8.618 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.964 -8.235 0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.301 -8.551 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.468 -6.968 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.729 -6.823 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.682 -5.373 -3.046 1.00 0.00 H new ATOM 1532 N GLN A 105 -0.652 -7.137 0.344 1.00 0.00 N ATOM 1533 CA GLN A 105 -1.224 -7.686 1.568 1.00 0.00 C ATOM 1534 C GLN A 105 -0.643 -9.064 1.869 1.00 0.00 C ATOM 1535 O GLN A 105 -1.259 -10.087 1.573 1.00 0.00 O ATOM 1536 CB GLN A 105 -2.747 -7.777 1.448 1.00 0.00 C ATOM 1537 CG GLN A 105 -3.488 -6.857 2.402 1.00 0.00 C ATOM 1538 CD GLN A 105 -4.245 -7.615 3.475 1.00 0.00 C ATOM 1539 OE1 GLN A 105 -3.746 -7.557 4.705 1.00 0.00 O flip ATOM 1540 NE2 GLN A 105 -5.266 -8.247 3.202 1.00 0.00 N flip ATOM 0 H GLN A 105 -1.168 -7.370 -0.505 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.971 -7.017 2.390 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.038 -7.536 0.425 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.057 -8.805 1.634 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.776 -6.180 2.874 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.187 -6.240 1.837 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.614 -8.264 2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.764 -8.753 3.935 1.00 0.00 H new ATOM 1549 N THR A 106 0.548 -9.081 2.459 1.00 0.00 N ATOM 1550 CA THR A 106 1.214 -10.332 2.801 1.00 0.00 C ATOM 1551 C THR A 106 0.728 -10.868 4.143 1.00 0.00 C ATOM 1552 O THR A 106 0.272 -10.107 4.997 1.00 0.00 O ATOM 1553 CB THR A 106 2.744 -10.157 2.858 1.00 0.00 C ATOM 1554 OG1 THR A 106 3.073 -8.774 3.041 1.00 0.00 O ATOM 1555 CG2 THR A 106 3.394 -10.674 1.585 1.00 0.00 C ATOM 0 H THR A 106 1.071 -8.242 2.710 1.00 0.00 H new ATOM 0 HA THR A 106 0.964 -11.045 2.016 1.00 0.00 H new ATOM 0 HB THR A 106 3.123 -10.734 3.701 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.703 -8.459 3.892 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.474 -10.540 1.648 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.166 -11.733 1.464 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.009 -10.120 0.729 1.00 0.00 H new ATOM 1563 N ARG A 107 0.832 -12.180 4.322 1.00 0.00 N ATOM 1564 CA ARG A 107 0.404 -12.819 5.560 1.00 0.00 C ATOM 1565 C ARG A 107 1.061 -14.185 5.725 1.00 0.00 C ATOM 1566 O ARG A 107 0.882 -15.075 4.893 1.00 0.00 O ATOM 1567 CB ARG A 107 -1.119 -12.966 5.582 1.00 0.00 C ATOM 1568 CG ARG A 107 -1.651 -13.943 4.545 1.00 0.00 C ATOM 1569 CD ARG A 107 -2.721 -13.304 3.675 1.00 0.00 C ATOM 1570 NE ARG A 107 -4.012 -13.243 4.353 1.00 0.00 N ATOM 1571 CZ ARG A 107 -4.981 -12.398 4.016 1.00 0.00 C ATOM 1572 NH1 ARG A 107 -4.802 -11.547 3.015 1.00 0.00 N ATOM 1573 NH2 ARG A 107 -6.128 -12.402 4.681 1.00 0.00 N ATOM 0 H ARG A 107 1.209 -12.822 3.625 1.00 0.00 H new ATOM 0 HA ARG A 107 0.714 -12.186 6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.430 -13.296 6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.572 -11.989 5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.831 -14.292 3.918 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.063 -14.819 5.046 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.409 -12.297 3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.823 -13.872 2.750 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.180 -13.884 5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -3.920 -11.540 2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.546 -10.899 2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.268 -13.054 5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -6.871 -11.753 4.421 1.00 0.00 H new ATOM 1587 N GLY A 108 1.822 -14.346 6.804 1.00 0.00 N ATOM 1588 CA GLY A 108 2.491 -15.609 7.056 1.00 0.00 C ATOM 1589 C GLY A 108 3.968 -15.434 7.348 1.00 0.00 C ATOM 1590 O GLY A 108 4.533 -14.366 7.110 1.00 0.00 O ATOM 0 H GLY A 108 1.987 -13.625 7.507 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.014 -16.108 7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.369 -16.260 6.190 1.00 0.00 H new ATOM 1594 N GLY A 109 4.595 -16.486 7.864 1.00 0.00 N ATOM 1595 CA GLY A 109 6.010 -16.425 8.180 1.00 0.00 C ATOM 1596 C GLY A 109 6.287 -15.659 9.458 1.00 0.00 C ATOM 1597 O GLY A 109 6.125 -16.191 10.556 1.00 0.00 O ATOM 0 H GLY A 109 4.148 -17.380 8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.402 -17.438 8.275 1.00 0.00 H new ATOM 0 HA3 GLY A 109 6.543 -15.953 7.355 1.00 0.00 H new ATOM 1601 N ASN A 110 6.709 -14.406 9.315 1.00 0.00 N ATOM 1602 CA ASN A 110 7.011 -13.565 10.467 1.00 0.00 C ATOM 1603 C ASN A 110 6.251 -12.243 10.398 1.00 0.00 C ATOM 1604 O ASN A 110 6.310 -11.435 11.325 1.00 0.00 O ATOM 1605 CB ASN A 110 8.515 -13.298 10.548 1.00 0.00 C ATOM 1606 CG ASN A 110 9.339 -14.527 10.222 1.00 0.00 C ATOM 1607 OD1 ASN A 110 8.854 -15.655 10.308 1.00 0.00 O ATOM 1608 ND2 ASN A 110 10.595 -14.314 9.844 1.00 0.00 N ATOM 0 H ASN A 110 6.849 -13.951 8.413 1.00 0.00 H new ATOM 0 HA ASN A 110 6.692 -14.096 11.364 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.776 -12.495 9.858 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.766 -12.951 11.550 1.00 0.00 H new ATOM 0 HD21 ASN A 110 11.198 -15.103 9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 110 10.956 -13.362 9.787 1.00 0.00 H new ATOM 1615 N SER A 111 5.537 -12.030 9.297 1.00 0.00 N ATOM 1616 CA SER A 111 4.768 -10.804 9.113 1.00 0.00 C ATOM 1617 C SER A 111 3.270 -11.089 9.184 1.00 0.00 C ATOM 1618 O SER A 111 2.557 -10.964 8.190 1.00 0.00 O ATOM 1619 CB SER A 111 5.116 -10.157 7.772 1.00 0.00 C ATOM 1620 OG SER A 111 4.349 -10.716 6.719 1.00 0.00 O ATOM 0 H SER A 111 5.475 -12.689 8.521 1.00 0.00 H new ATOM 0 HA SER A 111 5.027 -10.115 9.917 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.937 -9.083 7.826 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.177 -10.293 7.564 1.00 0.00 H new ATOM 0 HG SER A 111 3.401 -10.513 6.861 1.00 0.00 H new ATOM 1626 N ASN A 112 2.804 -11.474 10.368 1.00 0.00 N ATOM 1627 CA ASN A 112 1.392 -11.779 10.574 1.00 0.00 C ATOM 1628 C ASN A 112 0.509 -10.856 9.742 1.00 0.00 C ATOM 1629 O ASN A 112 0.141 -9.769 10.182 1.00 0.00 O ATOM 1630 CB ASN A 112 1.032 -11.650 12.055 1.00 0.00 C ATOM 1631 CG ASN A 112 1.292 -12.927 12.827 1.00 0.00 C ATOM 1632 OD1 ASN A 112 1.685 -13.944 12.255 1.00 0.00 O ATOM 1633 ND2 ASN A 112 1.073 -12.882 14.136 1.00 0.00 N ATOM 0 H ASN A 112 3.384 -11.582 11.200 1.00 0.00 H new ATOM 0 HA ASN A 112 1.217 -12.806 10.253 1.00 0.00 H new ATOM 0 HB2 ASN A 112 1.609 -10.838 12.497 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.020 -11.380 12.148 1.00 0.00 H new ATOM 0 HD21 ASN A 112 1.230 -13.712 14.708 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.747 -12.018 14.569 1.00 0.00 H new ATOM 1640 N GLY A 113 0.172 -11.299 8.535 1.00 0.00 N ATOM 1641 CA GLY A 113 -0.664 -10.500 7.661 1.00 0.00 C ATOM 1642 C GLY A 113 -0.175 -9.070 7.546 1.00 0.00 C ATOM 1643 O GLY A 113 -0.902 -8.131 7.872 1.00 0.00 O ATOM 0 H GLY A 113 0.463 -12.197 8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.688 -10.954 6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.687 -10.503 8.038 1.00 0.00 H new ATOM 1647 N ALA A 114 1.059 -8.903 7.083 1.00 0.00 N ATOM 1648 CA ALA A 114 1.643 -7.576 6.929 1.00 0.00 C ATOM 1649 C ALA A 114 1.539 -7.096 5.487 1.00 0.00 C ATOM 1650 O ALA A 114 1.526 -7.900 4.555 1.00 0.00 O ATOM 1651 CB ALA A 114 3.095 -7.583 7.381 1.00 0.00 C ATOM 0 H ALA A 114 1.674 -9.669 6.808 1.00 0.00 H new ATOM 0 HA ALA A 114 1.082 -6.884 7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.518 -6.586 7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.148 -7.876 8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.661 -8.293 6.777 1.00 0.00 H new ATOM 1657 N LEU A 115 1.466 -5.783 5.310 1.00 0.00 N ATOM 1658 CA LEU A 115 1.364 -5.202 3.978 1.00 0.00 C ATOM 1659 C LEU A 115 2.726 -5.184 3.294 1.00 0.00 C ATOM 1660 O LEU A 115 3.424 -4.170 3.306 1.00 0.00 O ATOM 1661 CB LEU A 115 0.798 -3.784 4.050 1.00 0.00 C ATOM 1662 CG LEU A 115 0.299 -3.226 2.716 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -1.220 -3.272 2.654 1.00 0.00 C ATOM 1664 CD2 LEU A 115 0.805 -1.807 2.507 1.00 0.00 C ATOM 0 H LEU A 115 1.475 -5.102 6.070 1.00 0.00 H new ATOM 0 HA LEU A 115 0.685 -5.821 3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.025 -3.772 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.568 -3.119 4.441 1.00 0.00 H new ATOM 0 HG LEU A 115 0.692 -3.849 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.557 -2.871 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.557 -4.304 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.636 -2.674 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.440 -1.427 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.444 -1.169 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.895 -1.806 2.504 1.00 0.00 H new ATOM 1676 N CYS A 116 3.101 -6.313 2.703 1.00 0.00 N ATOM 1677 CA CYS A 116 4.383 -6.427 2.018 1.00 0.00 C ATOM 1678 C CYS A 116 4.755 -5.121 1.326 1.00 0.00 C ATOM 1679 O CYS A 116 3.897 -4.428 0.774 1.00 0.00 O ATOM 1680 CB CYS A 116 4.348 -7.566 0.999 1.00 0.00 C ATOM 1681 SG CYS A 116 5.675 -8.797 1.217 1.00 0.00 S ATOM 0 H CYS A 116 2.536 -7.162 2.685 1.00 0.00 H new ATOM 0 HA CYS A 116 5.142 -6.646 2.769 1.00 0.00 H new ATOM 0 HB2 CYS A 116 3.384 -8.070 1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.418 -7.145 -0.004 1.00 0.00 H new ATOM 1686 N HIS A 117 6.042 -4.796 1.361 1.00 0.00 N ATOM 1687 CA HIS A 117 6.547 -3.576 0.743 1.00 0.00 C ATOM 1688 C HIS A 117 7.342 -3.905 -0.520 1.00 0.00 C ATOM 1689 O HIS A 117 8.194 -4.792 -0.515 1.00 0.00 O ATOM 1690 CB HIS A 117 7.418 -2.809 1.747 1.00 0.00 C ATOM 1691 CG HIS A 117 8.521 -2.007 1.126 1.00 0.00 C ATOM 1692 ND1 HIS A 117 8.433 -0.649 0.902 1.00 0.00 N ATOM 1693 CD2 HIS A 117 9.746 -2.380 0.688 1.00 0.00 C ATOM 1694 CE1 HIS A 117 9.556 -0.223 0.352 1.00 0.00 C ATOM 1695 NE2 HIS A 117 10.370 -1.255 0.211 1.00 0.00 N ATOM 0 H HIS A 117 6.758 -5.364 1.814 1.00 0.00 H new ATOM 0 HA HIS A 117 5.704 -2.948 0.457 1.00 0.00 H new ATOM 0 HB2 HIS A 117 6.781 -2.140 2.325 1.00 0.00 H new ATOM 0 HB3 HIS A 117 7.854 -3.520 2.449 1.00 0.00 H new ATOM 0 HD1 HIS A 117 7.627 -0.065 1.126 1.00 0.00 H new ATOM 0 HD2 HIS A 117 10.157 -3.379 0.710 1.00 0.00 H new ATOM 0 HE1 HIS A 117 9.772 0.796 0.066 1.00 0.00 H new ATOM 1704 N PHE A 118 7.052 -3.186 -1.601 1.00 0.00 N ATOM 1705 CA PHE A 118 7.737 -3.405 -2.871 1.00 0.00 C ATOM 1706 C PHE A 118 8.203 -2.082 -3.474 1.00 0.00 C ATOM 1707 O PHE A 118 7.465 -1.098 -3.478 1.00 0.00 O ATOM 1708 CB PHE A 118 6.811 -4.121 -3.855 1.00 0.00 C ATOM 1709 CG PHE A 118 6.625 -5.584 -3.563 1.00 0.00 C ATOM 1710 CD1 PHE A 118 7.508 -6.523 -4.072 1.00 0.00 C ATOM 1711 CD2 PHE A 118 5.562 -6.020 -2.789 1.00 0.00 C ATOM 1712 CE1 PHE A 118 7.332 -7.870 -3.814 1.00 0.00 C ATOM 1713 CE2 PHE A 118 5.383 -7.366 -2.527 1.00 0.00 C ATOM 1714 CZ PHE A 118 6.270 -8.290 -3.041 1.00 0.00 C ATOM 0 H PHE A 118 6.348 -2.448 -1.623 1.00 0.00 H new ATOM 0 HA PHE A 118 8.611 -4.028 -2.680 1.00 0.00 H new ATOM 0 HB2 PHE A 118 5.837 -3.632 -3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.212 -4.010 -4.862 1.00 0.00 H new ATOM 0 HD1 PHE A 118 8.342 -6.199 -4.677 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.865 -5.300 -2.386 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.026 -8.593 -4.218 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.551 -7.693 -1.921 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.132 -9.342 -2.838 1.00 0.00 H new ATOM 1724 N PRO A 119 9.439 -2.044 -3.997 1.00 0.00 N ATOM 1725 CA PRO A 119 10.343 -3.198 -4.009 1.00 0.00 C ATOM 1726 C PRO A 119 10.873 -3.521 -2.616 1.00 0.00 C ATOM 1727 O PRO A 119 10.672 -2.755 -1.675 1.00 0.00 O ATOM 1728 CB PRO A 119 11.500 -2.764 -4.929 1.00 0.00 C ATOM 1729 CG PRO A 119 11.018 -1.505 -5.582 1.00 0.00 C ATOM 1730 CD PRO A 119 10.058 -0.876 -4.619 1.00 0.00 C ATOM 0 HA PRO A 119 9.836 -4.100 -4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.414 -2.590 -4.360 1.00 0.00 H new ATOM 0 HB3 PRO A 119 11.726 -3.532 -5.669 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.850 -0.834 -5.796 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.530 -1.721 -6.532 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.567 -0.247 -3.889 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.325 -0.248 -5.126 1.00 0.00 H new ATOM 1738 N PHE A 120 11.553 -4.656 -2.491 1.00 0.00 N ATOM 1739 CA PHE A 120 12.110 -5.070 -1.208 1.00 0.00 C ATOM 1740 C PHE A 120 13.445 -5.782 -1.393 1.00 0.00 C ATOM 1741 O PHE A 120 13.681 -6.428 -2.414 1.00 0.00 O ATOM 1742 CB PHE A 120 11.130 -5.988 -0.476 1.00 0.00 C ATOM 1743 CG PHE A 120 11.100 -7.387 -1.020 1.00 0.00 C ATOM 1744 CD1 PHE A 120 10.252 -7.720 -2.063 1.00 0.00 C ATOM 1745 CD2 PHE A 120 11.919 -8.370 -0.487 1.00 0.00 C ATOM 1746 CE1 PHE A 120 10.222 -9.007 -2.567 1.00 0.00 C ATOM 1747 CE2 PHE A 120 11.894 -9.659 -0.986 1.00 0.00 C ATOM 1748 CZ PHE A 120 11.044 -9.978 -2.027 1.00 0.00 C ATOM 0 H PHE A 120 11.731 -5.303 -3.259 1.00 0.00 H new ATOM 0 HA PHE A 120 12.278 -4.174 -0.611 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.397 -6.023 0.580 1.00 0.00 H new ATOM 0 HB3 PHE A 120 10.129 -5.561 -0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 120 9.607 -6.965 -2.488 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.585 -8.126 0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.557 -9.253 -3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 120 12.538 -10.415 -0.563 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.022 -10.984 -2.418 1.00 0.00 H new ATOM 1758 N LEU A 121 14.311 -5.663 -0.394 1.00 0.00 N ATOM 1759 CA LEU A 121 15.622 -6.298 -0.439 1.00 0.00 C ATOM 1760 C LEU A 121 15.532 -7.752 -0.003 1.00 0.00 C ATOM 1761 O LEU A 121 14.643 -8.127 0.759 1.00 0.00 O ATOM 1762 CB LEU A 121 16.603 -5.566 0.474 1.00 0.00 C ATOM 1763 CG LEU A 121 18.077 -5.679 0.085 1.00 0.00 C ATOM 1764 CD1 LEU A 121 18.328 -5.062 -1.281 1.00 0.00 C ATOM 1765 CD2 LEU A 121 18.943 -5.017 1.144 1.00 0.00 C ATOM 0 H LEU A 121 14.129 -5.132 0.458 1.00 0.00 H new ATOM 0 HA LEU A 121 15.978 -6.252 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.332 -4.511 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.483 -5.948 1.488 1.00 0.00 H new ATOM 0 HG LEU A 121 18.341 -6.735 0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 121 19.384 -5.156 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 121 17.728 -5.580 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 121 18.052 -4.008 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 121 19.992 -5.101 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 121 18.673 -3.964 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 121 18.786 -5.510 2.103 1.00 0.00 H new ATOM 1777 N TYR A 122 16.470 -8.554 -0.478 1.00 0.00 N ATOM 1778 CA TYR A 122 16.525 -9.969 -0.131 1.00 0.00 C ATOM 1779 C TYR A 122 17.965 -10.462 -0.162 1.00 0.00 C ATOM 1780 O TYR A 122 18.584 -10.523 -1.223 1.00 0.00 O ATOM 1781 CB TYR A 122 15.666 -10.798 -1.086 1.00 0.00 C ATOM 1782 CG TYR A 122 15.582 -12.256 -0.697 1.00 0.00 C ATOM 1783 CD1 TYR A 122 15.928 -12.668 0.584 1.00 0.00 C ATOM 1784 CD2 TYR A 122 15.162 -13.219 -1.604 1.00 0.00 C ATOM 1785 CE1 TYR A 122 15.858 -13.997 0.950 1.00 0.00 C ATOM 1786 CE2 TYR A 122 15.088 -14.552 -1.246 1.00 0.00 C ATOM 1787 CZ TYR A 122 15.439 -14.935 0.032 1.00 0.00 C ATOM 1788 OH TYR A 122 15.368 -16.261 0.392 1.00 0.00 O ATOM 0 H TYR A 122 17.210 -8.249 -1.110 1.00 0.00 H new ATOM 0 HA TYR A 122 16.129 -10.088 0.878 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.660 -10.378 -1.117 1.00 0.00 H new ATOM 0 HB3 TYR A 122 16.075 -10.720 -2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 122 16.257 -11.936 1.306 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.889 -12.922 -2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 122 16.130 -14.300 1.950 1.00 0.00 H new ATOM 0 HE2 TYR A 122 14.757 -15.289 -1.963 1.00 0.00 H new ATOM 0 HH TYR A 122 14.748 -16.729 -0.205 1.00 0.00 H new ATOM 1798 N ASN A 123 18.501 -10.803 1.004 1.00 0.00 N ATOM 1799 CA ASN A 123 19.876 -11.273 1.091 1.00 0.00 C ATOM 1800 C ASN A 123 20.786 -10.370 0.266 1.00 0.00 C ATOM 1801 O ASN A 123 21.779 -10.821 -0.305 1.00 0.00 O ATOM 1802 CB ASN A 123 19.979 -12.717 0.596 1.00 0.00 C ATOM 1803 CG ASN A 123 19.959 -13.720 1.731 1.00 0.00 C ATOM 1804 OD1 ASN A 123 19.995 -13.349 2.904 1.00 0.00 O ATOM 1805 ND2 ASN A 123 19.904 -15.003 1.388 1.00 0.00 N ATOM 0 H ASN A 123 18.008 -10.763 1.896 1.00 0.00 H new ATOM 0 HA ASN A 123 20.192 -11.241 2.134 1.00 0.00 H new ATOM 0 HB2 ASN A 123 19.152 -12.925 -0.083 1.00 0.00 H new ATOM 0 HB3 ASN A 123 20.899 -12.837 0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 123 19.890 -15.724 2.110 1.00 0.00 H new ATOM 0 HD22 ASN A 123 19.876 -15.267 0.403 1.00 0.00 H new ATOM 1812 N ASN A 124 20.427 -9.091 0.202 1.00 0.00 N ATOM 1813 CA ASN A 124 21.191 -8.109 -0.559 1.00 0.00 C ATOM 1814 C ASN A 124 20.812 -8.168 -2.034 1.00 0.00 C ATOM 1815 O ASN A 124 21.615 -7.844 -2.909 1.00 0.00 O ATOM 1816 CB ASN A 124 22.694 -8.342 -0.394 1.00 0.00 C ATOM 1817 CG ASN A 124 23.053 -8.883 0.976 1.00 0.00 C ATOM 1818 OD1 ASN A 124 23.700 -10.042 1.005 1.00 0.00 O flip ATOM 1819 ND2 ASN A 124 22.751 -8.266 1.998 1.00 0.00 N flip ATOM 0 H ASN A 124 19.606 -8.709 0.672 1.00 0.00 H new ATOM 0 HA ASN A 124 20.951 -7.119 -0.172 1.00 0.00 H new ATOM 0 HB2 ASN A 124 23.036 -9.041 -1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 124 23.224 -7.404 -0.560 1.00 0.00 H new ATOM 0 HD21 ASN A 124 22.254 -7.378 1.929 1.00 0.00 H new ATOM 0 HD22 ASN A 124 22.998 -8.643 2.913 1.00 0.00 H new ATOM 1826 N HIS A 125 19.577 -8.580 -2.300 1.00 0.00 N ATOM 1827 CA HIS A 125 19.079 -8.680 -3.665 1.00 0.00 C ATOM 1828 C HIS A 125 17.873 -7.770 -3.863 1.00 0.00 C ATOM 1829 O HIS A 125 16.788 -8.038 -3.345 1.00 0.00 O ATOM 1830 CB HIS A 125 18.702 -10.127 -3.990 1.00 0.00 C ATOM 1831 CG HIS A 125 19.176 -10.582 -5.334 1.00 0.00 C ATOM 1832 ND1 HIS A 125 19.928 -11.723 -5.522 1.00 0.00 N ATOM 1833 CD2 HIS A 125 18.999 -10.044 -6.565 1.00 0.00 C ATOM 1834 CE1 HIS A 125 20.195 -11.866 -6.807 1.00 0.00 C ATOM 1835 NE2 HIS A 125 19.643 -10.861 -7.461 1.00 0.00 N ATOM 0 H HIS A 125 18.902 -8.851 -1.585 1.00 0.00 H new ATOM 0 HA HIS A 125 19.871 -8.361 -4.342 1.00 0.00 H new ATOM 0 HB2 HIS A 125 19.119 -10.783 -3.226 1.00 0.00 H new ATOM 0 HB3 HIS A 125 17.618 -10.231 -3.942 1.00 0.00 H new ATOM 0 HD2 HIS A 125 18.453 -9.141 -6.798 1.00 0.00 H new ATOM 0 HE1 HIS A 125 20.768 -12.669 -7.248 1.00 0.00 H new ATOM 0 HE2 HIS A 125 19.688 -10.715 -8.469 1.00 0.00 H new ATOM 1844 N ASN A 126 18.070 -6.690 -4.612 1.00 0.00 N ATOM 1845 CA ASN A 126 16.999 -5.736 -4.875 1.00 0.00 C ATOM 1846 C ASN A 126 15.838 -6.408 -5.601 1.00 0.00 C ATOM 1847 O ASN A 126 15.757 -6.373 -6.828 1.00 0.00 O ATOM 1848 CB ASN A 126 17.527 -4.565 -5.704 1.00 0.00 C ATOM 1849 CG ASN A 126 17.865 -3.357 -4.852 1.00 0.00 C ATOM 1850 OD1 ASN A 126 17.120 -2.377 -4.826 1.00 0.00 O ATOM 1851 ND2 ASN A 126 18.993 -3.424 -4.151 1.00 0.00 N ATOM 0 H ASN A 126 18.962 -6.454 -5.048 1.00 0.00 H new ATOM 0 HA ASN A 126 16.635 -5.361 -3.919 1.00 0.00 H new ATOM 0 HB2 ASN A 126 18.416 -4.882 -6.249 1.00 0.00 H new ATOM 0 HB3 ASN A 126 16.781 -4.284 -6.447 1.00 0.00 H new ATOM 0 HD22 ASN A 126 19.578 -4.258 -4.205 1.00 0.00 H new ATOM 1857 N TYR A 127 14.940 -7.017 -4.833 1.00 0.00 N ATOM 1858 CA TYR A 127 13.781 -7.696 -5.403 1.00 0.00 C ATOM 1859 C TYR A 127 12.600 -6.739 -5.532 1.00 0.00 C ATOM 1860 O TYR A 127 12.692 -5.570 -5.155 1.00 0.00 O ATOM 1861 CB TYR A 127 13.389 -8.894 -4.536 1.00 0.00 C ATOM 1862 CG TYR A 127 14.064 -10.185 -4.942 1.00 0.00 C ATOM 1863 CD1 TYR A 127 15.313 -10.524 -4.440 1.00 0.00 C ATOM 1864 CD2 TYR A 127 13.451 -11.064 -5.827 1.00 0.00 C ATOM 1865 CE1 TYR A 127 15.934 -11.702 -4.808 1.00 0.00 C ATOM 1866 CE2 TYR A 127 14.065 -12.244 -6.200 1.00 0.00 C ATOM 1867 CZ TYR A 127 15.307 -12.558 -5.688 1.00 0.00 C ATOM 1868 OH TYR A 127 15.921 -13.733 -6.057 1.00 0.00 O ATOM 0 H TYR A 127 14.992 -7.054 -3.815 1.00 0.00 H new ATOM 0 HA TYR A 127 14.050 -8.049 -6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.637 -8.676 -3.497 1.00 0.00 H new ATOM 0 HB3 TYR A 127 12.308 -9.028 -4.585 1.00 0.00 H new ATOM 0 HD1 TYR A 127 15.807 -9.856 -3.750 1.00 0.00 H new ATOM 0 HD2 TYR A 127 12.479 -10.821 -6.230 1.00 0.00 H new ATOM 0 HE1 TYR A 127 16.906 -11.951 -4.408 1.00 0.00 H new ATOM 0 HE2 TYR A 127 13.575 -12.917 -6.889 1.00 0.00 H new ATOM 0 HH TYR A 127 15.345 -14.221 -6.682 1.00 0.00 H new ATOM 1878 N THR A 128 11.491 -7.242 -6.065 1.00 0.00 N ATOM 1879 CA THR A 128 10.293 -6.429 -6.239 1.00 0.00 C ATOM 1880 C THR A 128 9.090 -7.291 -6.603 1.00 0.00 C ATOM 1881 O THR A 128 8.180 -6.843 -7.300 1.00 0.00 O ATOM 1882 CB THR A 128 10.493 -5.360 -7.330 1.00 0.00 C ATOM 1883 OG1 THR A 128 11.837 -4.865 -7.292 1.00 0.00 O ATOM 1884 CG2 THR A 128 9.518 -4.207 -7.142 1.00 0.00 C ATOM 0 H THR A 128 11.397 -8.207 -6.383 1.00 0.00 H new ATOM 0 HA THR A 128 10.106 -5.935 -5.286 1.00 0.00 H new ATOM 0 HB THR A 128 10.304 -5.822 -8.299 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.956 -4.187 -7.989 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.678 -3.464 -7.924 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.496 -4.581 -7.201 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.681 -3.748 -6.167 1.00 0.00 H new ATOM 1892 N ASP A 129 9.089 -8.528 -6.121 1.00 0.00 N ATOM 1893 CA ASP A 129 7.995 -9.452 -6.389 1.00 0.00 C ATOM 1894 C ASP A 129 8.035 -10.633 -5.429 1.00 0.00 C ATOM 1895 O ASP A 129 9.108 -11.082 -5.024 1.00 0.00 O ATOM 1896 CB ASP A 129 8.056 -9.949 -7.835 1.00 0.00 C ATOM 1897 CG ASP A 129 7.665 -8.875 -8.832 1.00 0.00 C ATOM 1898 OD1 ASP A 129 6.459 -8.565 -8.927 1.00 0.00 O ATOM 1899 OD2 ASP A 129 8.565 -8.346 -9.517 1.00 0.00 O ATOM 0 H ASP A 129 9.835 -8.914 -5.542 1.00 0.00 H new ATOM 0 HA ASP A 129 7.057 -8.917 -6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.066 -10.295 -8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.393 -10.807 -7.950 1.00 0.00 H new ATOM 1904 N CYS A 130 6.858 -11.130 -5.066 1.00 0.00 N ATOM 1905 CA CYS A 130 6.754 -12.257 -4.149 1.00 0.00 C ATOM 1906 C CYS A 130 7.677 -13.394 -4.576 1.00 0.00 C ATOM 1907 O CYS A 130 7.264 -14.305 -5.293 1.00 0.00 O ATOM 1908 CB CYS A 130 5.310 -12.756 -4.080 1.00 0.00 C ATOM 1909 SG CYS A 130 4.064 -11.426 -4.041 1.00 0.00 S ATOM 0 H CYS A 130 5.962 -10.769 -5.394 1.00 0.00 H new ATOM 0 HA CYS A 130 7.060 -11.916 -3.160 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.116 -13.395 -4.941 1.00 0.00 H new ATOM 0 HB3 CYS A 130 5.193 -13.375 -3.191 1.00 0.00 H new ATOM 1914 N THR A 131 8.926 -13.334 -4.129 1.00 0.00 N ATOM 1915 CA THR A 131 9.907 -14.359 -4.464 1.00 0.00 C ATOM 1916 C THR A 131 9.740 -15.589 -3.579 1.00 0.00 C ATOM 1917 O THR A 131 9.440 -15.475 -2.391 1.00 0.00 O ATOM 1918 CB THR A 131 11.346 -13.828 -4.321 1.00 0.00 C ATOM 1919 OG1 THR A 131 12.275 -14.781 -4.853 1.00 0.00 O ATOM 1920 CG2 THR A 131 11.678 -13.551 -2.862 1.00 0.00 C ATOM 0 H THR A 131 9.283 -12.587 -3.534 1.00 0.00 H new ATOM 0 HA THR A 131 9.732 -14.636 -5.504 1.00 0.00 H new ATOM 0 HB THR A 131 11.422 -12.895 -4.879 1.00 0.00 H new ATOM 0 HG1 THR A 131 12.979 -14.311 -5.346 1.00 0.00 H new ATOM 0 HG21 THR A 131 12.699 -13.177 -2.786 1.00 0.00 H new ATOM 0 HG22 THR A 131 10.988 -12.805 -2.467 1.00 0.00 H new ATOM 0 HG23 THR A 131 11.585 -14.472 -2.287 1.00 0.00 H new ATOM 1928 N SER A 132 9.934 -16.765 -4.167 1.00 0.00 N ATOM 1929 CA SER A 132 9.805 -18.017 -3.432 1.00 0.00 C ATOM 1930 C SER A 132 11.156 -18.711 -3.299 1.00 0.00 C ATOM 1931 O SER A 132 11.226 -19.920 -3.077 1.00 0.00 O ATOM 1932 CB SER A 132 8.810 -18.944 -4.134 1.00 0.00 C ATOM 1933 OG SER A 132 7.487 -18.709 -3.684 1.00 0.00 O ATOM 0 H SER A 132 10.181 -16.877 -5.150 1.00 0.00 H new ATOM 0 HA SER A 132 9.435 -17.787 -2.433 1.00 0.00 H new ATOM 0 HB2 SER A 132 8.863 -18.790 -5.212 1.00 0.00 H new ATOM 0 HB3 SER A 132 9.082 -19.983 -3.947 1.00 0.00 H new ATOM 0 HG SER A 132 6.871 -19.313 -4.149 1.00 0.00 H new ATOM 1939 N GLU A 133 12.227 -17.937 -3.436 1.00 0.00 N ATOM 1940 CA GLU A 133 13.579 -18.475 -3.331 1.00 0.00 C ATOM 1941 C GLU A 133 13.810 -19.105 -1.961 1.00 0.00 C ATOM 1942 O GLU A 133 13.683 -18.440 -0.932 1.00 0.00 O ATOM 1943 CB GLU A 133 14.610 -17.374 -3.579 1.00 0.00 C ATOM 1944 CG GLU A 133 15.697 -17.767 -4.566 1.00 0.00 C ATOM 1945 CD GLU A 133 17.002 -18.127 -3.884 1.00 0.00 C ATOM 1946 OE1 GLU A 133 17.336 -17.486 -2.866 1.00 0.00 O ATOM 1947 OE2 GLU A 133 17.690 -19.050 -4.369 1.00 0.00 O ATOM 0 H GLU A 133 12.185 -16.935 -3.620 1.00 0.00 H new ATOM 0 HA GLU A 133 13.694 -19.248 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 133 14.098 -16.486 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 133 15.073 -17.102 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 133 15.355 -18.616 -5.158 1.00 0.00 H new ATOM 0 HG3 GLU A 133 15.869 -16.943 -5.259 1.00 0.00 H new ATOM 1954 N GLY A 134 14.150 -20.390 -1.956 1.00 0.00 N ATOM 1955 CA GLY A 134 14.395 -21.086 -0.707 1.00 0.00 C ATOM 1956 C GLY A 134 13.197 -21.895 -0.249 1.00 0.00 C ATOM 1957 O GLY A 134 13.327 -22.789 0.588 1.00 0.00 O ATOM 0 H GLY A 134 14.260 -20.961 -2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 134 15.253 -21.748 -0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 134 14.656 -20.361 0.064 1.00 0.00 H new ATOM 1961 N ARG A 135 12.028 -21.580 -0.795 1.00 0.00 N ATOM 1962 CA ARG A 135 10.802 -22.282 -0.435 1.00 0.00 C ATOM 1963 C ARG A 135 10.573 -23.488 -1.334 1.00 0.00 C ATOM 1964 O ARG A 135 10.448 -23.355 -2.552 1.00 0.00 O ATOM 1965 CB ARG A 135 9.605 -21.337 -0.528 1.00 0.00 C ATOM 1966 CG ARG A 135 9.655 -20.202 0.477 1.00 0.00 C ATOM 1967 CD ARG A 135 8.628 -20.387 1.581 1.00 0.00 C ATOM 1968 NE ARG A 135 8.418 -21.794 1.907 1.00 0.00 N ATOM 1969 CZ ARG A 135 7.564 -22.215 2.835 1.00 0.00 C ATOM 1970 NH1 ARG A 135 6.840 -21.340 3.519 1.00 0.00 N ATOM 1971 NH2 ARG A 135 7.434 -23.511 3.077 1.00 0.00 N ATOM 0 H ARG A 135 11.903 -20.843 -1.489 1.00 0.00 H new ATOM 0 HA ARG A 135 10.908 -22.633 0.591 1.00 0.00 H new ATOM 0 HB2 ARG A 135 9.558 -20.920 -1.534 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.689 -21.907 -0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 135 10.652 -20.145 0.913 1.00 0.00 H new ATOM 0 HG3 ARG A 135 9.475 -19.256 -0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 135 8.956 -19.854 2.473 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.682 -19.942 1.273 1.00 0.00 H new ATOM 0 HE ARG A 135 8.956 -22.493 1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 135 6.938 -20.342 3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 135 6.185 -21.665 4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 135 7.989 -24.186 2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 135 6.779 -23.834 3.789 1.00 0.00 H new ATOM 1985 N ARG A 136 10.507 -24.666 -0.725 1.00 0.00 N ATOM 1986 CA ARG A 136 10.280 -25.897 -1.469 1.00 0.00 C ATOM 1987 C ARG A 136 8.792 -26.085 -1.750 1.00 0.00 C ATOM 1988 O ARG A 136 8.373 -27.126 -2.255 1.00 0.00 O ATOM 1989 CB ARG A 136 10.822 -27.097 -0.691 1.00 0.00 C ATOM 1990 CG ARG A 136 11.610 -28.072 -1.550 1.00 0.00 C ATOM 1991 CD ARG A 136 12.341 -29.100 -0.701 1.00 0.00 C ATOM 1992 NE ARG A 136 12.705 -28.567 0.610 1.00 0.00 N ATOM 1993 CZ ARG A 136 13.752 -27.775 0.817 1.00 0.00 C ATOM 1994 NH1 ARG A 136 14.535 -27.428 -0.196 1.00 0.00 N ATOM 1995 NH2 ARG A 136 14.019 -27.330 2.038 1.00 0.00 N ATOM 0 H ARG A 136 10.608 -24.794 0.282 1.00 0.00 H new ATOM 0 HA ARG A 136 10.809 -25.826 -2.419 1.00 0.00 H new ATOM 0 HB2 ARG A 136 11.461 -26.738 0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 136 9.989 -27.625 -0.227 1.00 0.00 H new ATOM 0 HG2 ARG A 136 10.934 -28.581 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 136 12.329 -27.523 -2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 136 11.710 -29.979 -0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 136 13.241 -29.427 -1.222 1.00 0.00 H new ATOM 0 HE ARG A 136 12.124 -28.816 1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 136 14.334 -27.769 -1.136 1.00 0.00 H new ATOM 0 HH12 ARG A 136 15.338 -26.820 -0.035 1.00 0.00 H new ATOM 0 HH21 ARG A 136 13.420 -27.596 2.820 1.00 0.00 H new ATOM 0 HH22 ARG A 136 14.823 -26.722 2.195 1.00 0.00 H new ATOM 2009 N ASP A 137 7.996 -25.069 -1.418 1.00 0.00 N ATOM 2010 CA ASP A 137 6.556 -25.126 -1.635 1.00 0.00 C ATOM 2011 C ASP A 137 6.028 -23.792 -2.150 1.00 0.00 C ATOM 2012 O ASP A 137 6.354 -22.735 -1.610 1.00 0.00 O ATOM 2013 CB ASP A 137 5.837 -25.505 -0.340 1.00 0.00 C ATOM 2014 CG ASP A 137 6.441 -24.830 0.877 1.00 0.00 C ATOM 2015 OD1 ASP A 137 7.399 -24.045 0.707 1.00 0.00 O ATOM 2016 OD2 ASP A 137 5.953 -25.084 1.999 1.00 0.00 O ATOM 0 H ASP A 137 8.326 -24.200 -0.999 1.00 0.00 H new ATOM 0 HA ASP A 137 6.360 -25.889 -2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.785 -25.232 -0.419 1.00 0.00 H new ATOM 0 HB3 ASP A 137 5.876 -26.586 -0.209 1.00 0.00 H new ATOM 2021 N ASN A 138 5.211 -23.847 -3.196 1.00 0.00 N ATOM 2022 CA ASN A 138 4.637 -22.644 -3.784 1.00 0.00 C ATOM 2023 C ASN A 138 4.099 -21.712 -2.702 1.00 0.00 C ATOM 2024 O ASN A 138 2.930 -21.792 -2.326 1.00 0.00 O ATOM 2025 CB ASN A 138 3.517 -23.011 -4.759 1.00 0.00 C ATOM 2026 CG ASN A 138 2.948 -21.799 -5.471 1.00 0.00 C ATOM 2027 OD1 ASN A 138 2.918 -20.699 -4.919 1.00 0.00 O ATOM 2028 ND2 ASN A 138 2.493 -21.995 -6.703 1.00 0.00 N ATOM 0 H ASN A 138 4.931 -24.714 -3.654 1.00 0.00 H new ATOM 0 HA ASN A 138 5.426 -22.124 -4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 138 3.899 -23.716 -5.497 1.00 0.00 H new ATOM 0 HB3 ASN A 138 2.719 -23.518 -4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 138 2.099 -21.216 -7.231 1.00 0.00 H new ATOM 0 HD22 ASN A 138 2.538 -22.924 -7.121 1.00 0.00 H new ATOM 2035 N MET A 139 4.961 -20.832 -2.205 1.00 0.00 N ATOM 2036 CA MET A 139 4.573 -19.885 -1.166 1.00 0.00 C ATOM 2037 C MET A 139 5.114 -18.492 -1.471 1.00 0.00 C ATOM 2038 O MET A 139 5.812 -17.894 -0.652 1.00 0.00 O ATOM 2039 CB MET A 139 5.080 -20.355 0.198 1.00 0.00 C ATOM 2040 CG MET A 139 4.577 -19.512 1.358 1.00 0.00 C ATOM 2041 SD MET A 139 4.217 -20.493 2.826 1.00 0.00 S ATOM 2042 CE MET A 139 2.548 -21.037 2.468 1.00 0.00 C ATOM 0 H MET A 139 5.933 -20.755 -2.505 1.00 0.00 H new ATOM 0 HA MET A 139 3.484 -19.835 -1.143 1.00 0.00 H new ATOM 0 HB2 MET A 139 4.775 -21.390 0.353 1.00 0.00 H new ATOM 0 HB3 MET A 139 6.170 -20.341 0.196 1.00 0.00 H new ATOM 0 HG2 MET A 139 5.324 -18.758 1.604 1.00 0.00 H new ATOM 0 HG3 MET A 139 3.676 -18.980 1.052 1.00 0.00 H new ATOM 0 HE1 MET A 139 2.184 -21.657 3.287 1.00 0.00 H new ATOM 0 HE2 MET A 139 1.899 -20.169 2.354 1.00 0.00 H new ATOM 0 HE3 MET A 139 2.544 -21.617 1.545 1.00 0.00 H new ATOM 2052 N LYS A 140 4.787 -17.982 -2.653 1.00 0.00 N ATOM 2053 CA LYS A 140 5.241 -16.660 -3.068 1.00 0.00 C ATOM 2054 C LYS A 140 5.274 -15.699 -1.885 1.00 0.00 C ATOM 2055 O LYS A 140 4.237 -15.196 -1.449 1.00 0.00 O ATOM 2056 CB LYS A 140 4.329 -16.107 -4.165 1.00 0.00 C ATOM 2057 CG LYS A 140 2.863 -16.055 -3.768 1.00 0.00 C ATOM 2058 CD LYS A 140 2.085 -17.223 -4.350 1.00 0.00 C ATOM 2059 CE LYS A 140 2.308 -17.350 -5.848 1.00 0.00 C ATOM 2060 NZ LYS A 140 3.314 -18.399 -6.173 1.00 0.00 N ATOM 0 H LYS A 140 4.209 -18.464 -3.341 1.00 0.00 H new ATOM 0 HA LYS A 140 6.253 -16.757 -3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 140 4.661 -15.103 -4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 140 4.433 -16.723 -5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 140 2.779 -16.066 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 140 2.425 -15.118 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 140 2.389 -18.146 -3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 140 1.022 -17.089 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 140 1.363 -17.589 -6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 140 2.640 -16.392 -6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 3.076 -18.838 -7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 4.258 -17.968 -6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 3.311 -19.125 -5.428 1.00 0.00 H new ATOM 2074 N TRP A 141 6.473 -15.447 -1.368 1.00 0.00 N ATOM 2075 CA TRP A 141 6.643 -14.547 -0.235 1.00 0.00 C ATOM 2076 C TRP A 141 7.468 -13.327 -0.628 1.00 0.00 C ATOM 2077 O TRP A 141 8.167 -13.337 -1.642 1.00 0.00 O ATOM 2078 CB TRP A 141 7.315 -15.277 0.928 1.00 0.00 C ATOM 2079 CG TRP A 141 8.756 -15.599 0.676 1.00 0.00 C ATOM 2080 CD1 TRP A 141 9.256 -16.751 0.139 1.00 0.00 C ATOM 2081 CD2 TRP A 141 9.883 -14.761 0.949 1.00 0.00 C ATOM 2082 NE1 TRP A 141 10.626 -16.679 0.061 1.00 0.00 N ATOM 2083 CE2 TRP A 141 11.035 -15.467 0.553 1.00 0.00 C ATOM 2084 CE3 TRP A 141 10.032 -13.480 1.490 1.00 0.00 C ATOM 2085 CZ2 TRP A 141 12.316 -14.936 0.681 1.00 0.00 C ATOM 2086 CZ3 TRP A 141 11.305 -12.954 1.616 1.00 0.00 C ATOM 2087 CH2 TRP A 141 12.432 -13.680 1.213 1.00 0.00 C ATOM 0 H TRP A 141 7.341 -15.854 -1.717 1.00 0.00 H new ATOM 0 HA TRP A 141 5.655 -14.210 0.079 1.00 0.00 H new ATOM 0 HB2 TRP A 141 7.239 -14.663 1.825 1.00 0.00 H new ATOM 0 HB3 TRP A 141 6.774 -16.202 1.128 1.00 0.00 H new ATOM 0 HD1 TRP A 141 8.662 -17.595 -0.178 1.00 0.00 H new ATOM 0 HE1 TRP A 141 11.239 -17.409 -0.304 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.169 -12.912 1.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 13.187 -15.495 0.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 11.432 -11.966 2.033 1.00 0.00 H new ATOM 0 HH2 TRP A 141 13.412 -13.241 1.324 1.00 0.00 H new ATOM 2098 N CYS A 142 7.385 -12.276 0.182 1.00 0.00 N ATOM 2099 CA CYS A 142 8.125 -11.048 -0.079 1.00 0.00 C ATOM 2100 C CYS A 142 8.478 -10.340 1.223 1.00 0.00 C ATOM 2101 O CYS A 142 7.865 -10.585 2.262 1.00 0.00 O ATOM 2102 CB CYS A 142 7.308 -10.116 -0.973 1.00 0.00 C ATOM 2103 SG CYS A 142 5.569 -9.929 -0.464 1.00 0.00 S ATOM 0 H CYS A 142 6.812 -12.251 1.025 1.00 0.00 H new ATOM 0 HA CYS A 142 9.050 -11.313 -0.591 1.00 0.00 H new ATOM 0 HB2 CYS A 142 7.780 -9.134 -0.982 1.00 0.00 H new ATOM 0 HB3 CYS A 142 7.337 -10.493 -1.995 1.00 0.00 H new ATOM 2108 N GLY A 143 9.471 -9.459 1.159 1.00 0.00 N ATOM 2109 CA GLY A 143 9.888 -8.727 2.340 1.00 0.00 C ATOM 2110 C GLY A 143 8.890 -7.658 2.738 1.00 0.00 C ATOM 2111 O GLY A 143 8.399 -6.912 1.891 1.00 0.00 O ATOM 0 H GLY A 143 9.994 -9.239 0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.020 -9.423 3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.857 -8.265 2.154 1.00 0.00 H new ATOM 2115 N THR A 144 8.592 -7.582 4.031 1.00 0.00 N ATOM 2116 CA THR A 144 7.647 -6.595 4.540 1.00 0.00 C ATOM 2117 C THR A 144 8.351 -5.283 4.868 1.00 0.00 C ATOM 2118 O THR A 144 7.829 -4.457 5.618 1.00 0.00 O ATOM 2119 CB THR A 144 6.925 -7.107 5.798 1.00 0.00 C ATOM 2120 OG1 THR A 144 7.675 -8.170 6.396 1.00 0.00 O ATOM 2121 CG2 THR A 144 5.527 -7.598 5.456 1.00 0.00 C ATOM 0 H THR A 144 8.991 -8.192 4.745 1.00 0.00 H new ATOM 0 HA THR A 144 6.911 -6.424 3.754 1.00 0.00 H new ATOM 0 HB THR A 144 6.842 -6.280 6.504 1.00 0.00 H new ATOM 0 HG1 THR A 144 7.281 -9.031 6.143 1.00 0.00 H new ATOM 0 HG21 THR A 144 5.035 -7.955 6.361 1.00 0.00 H new ATOM 0 HG22 THR A 144 4.948 -6.779 5.028 1.00 0.00 H new ATOM 0 HG23 THR A 144 5.594 -8.412 4.734 1.00 0.00 H new ATOM 2129 N THR A 145 9.538 -5.098 4.301 1.00 0.00 N ATOM 2130 CA THR A 145 10.317 -3.889 4.531 1.00 0.00 C ATOM 2131 C THR A 145 11.372 -3.705 3.445 1.00 0.00 C ATOM 2132 O THR A 145 11.900 -4.679 2.909 1.00 0.00 O ATOM 2133 CB THR A 145 11.010 -3.919 5.906 1.00 0.00 C ATOM 2134 OG1 THR A 145 12.126 -4.818 5.873 1.00 0.00 O ATOM 2135 CG2 THR A 145 10.038 -4.350 6.994 1.00 0.00 C ATOM 0 H THR A 145 9.982 -5.772 3.677 1.00 0.00 H new ATOM 0 HA THR A 145 9.620 -3.052 4.505 1.00 0.00 H new ATOM 0 HB THR A 145 11.361 -2.912 6.133 1.00 0.00 H new ATOM 0 HG1 THR A 145 12.562 -4.830 6.750 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.551 -4.363 7.956 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.205 -3.648 7.037 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.660 -5.348 6.770 1.00 0.00 H new ATOM 2143 N GLN A 146 11.672 -2.450 3.126 1.00 0.00 N ATOM 2144 CA GLN A 146 12.663 -2.135 2.101 1.00 0.00 C ATOM 2145 C GLN A 146 13.803 -3.148 2.113 1.00 0.00 C ATOM 2146 O GLN A 146 14.336 -3.513 1.065 1.00 0.00 O ATOM 2147 CB GLN A 146 13.217 -0.727 2.318 1.00 0.00 C ATOM 2148 CG GLN A 146 12.359 0.366 1.707 1.00 0.00 C ATOM 2149 CD GLN A 146 13.084 1.693 1.609 1.00 0.00 C ATOM 2150 OE1 GLN A 146 13.034 2.366 0.580 1.00 0.00 O ATOM 2151 NE2 GLN A 146 13.765 2.076 2.682 1.00 0.00 N ATOM 0 H GLN A 146 11.243 -1.634 3.562 1.00 0.00 H new ATOM 0 HA GLN A 146 12.171 -2.182 1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 146 13.314 -0.545 3.388 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.219 -0.671 1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 146 12.039 0.057 0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 146 11.458 0.493 2.307 1.00 0.00 H new ATOM 0 HE21 GLN A 146 13.779 1.486 3.514 1.00 0.00 H new ATOM 0 HE22 GLN A 146 14.274 2.960 2.674 1.00 0.00 H new ATOM 2160 N ASN A 147 14.173 -3.597 3.308 1.00 0.00 N ATOM 2161 CA ASN A 147 15.253 -4.566 3.463 1.00 0.00 C ATOM 2162 C ASN A 147 14.810 -5.748 4.323 1.00 0.00 C ATOM 2163 O ASN A 147 14.856 -5.683 5.552 1.00 0.00 O ATOM 2164 CB ASN A 147 16.477 -3.893 4.085 1.00 0.00 C ATOM 2165 CG ASN A 147 17.087 -2.847 3.174 1.00 0.00 C ATOM 2166 OD1 ASN A 147 16.417 -2.303 2.296 1.00 0.00 O ATOM 2167 ND2 ASN A 147 18.368 -2.558 3.378 1.00 0.00 N ATOM 0 H ASN A 147 13.740 -3.305 4.184 1.00 0.00 H new ATOM 0 HA ASN A 147 15.516 -4.944 2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 147 16.192 -3.427 5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 147 17.226 -4.650 4.317 1.00 0.00 H new ATOM 0 HD21 ASN A 147 18.833 -1.861 2.796 1.00 0.00 H new ATOM 0 HD22 ASN A 147 18.886 -3.033 4.117 1.00 0.00 H new ATOM 2174 N TYR A 148 14.381 -6.829 3.671 1.00 0.00 N ATOM 2175 CA TYR A 148 13.934 -8.022 4.386 1.00 0.00 C ATOM 2176 C TYR A 148 15.089 -8.650 5.156 1.00 0.00 C ATOM 2177 O TYR A 148 14.952 -8.991 6.331 1.00 0.00 O ATOM 2178 CB TYR A 148 13.330 -9.036 3.406 1.00 0.00 C ATOM 2179 CG TYR A 148 13.422 -10.474 3.867 1.00 0.00 C ATOM 2180 CD1 TYR A 148 12.871 -10.875 5.077 1.00 0.00 C ATOM 2181 CD2 TYR A 148 14.060 -11.432 3.088 1.00 0.00 C ATOM 2182 CE1 TYR A 148 12.954 -12.188 5.498 1.00 0.00 C ATOM 2183 CE2 TYR A 148 14.146 -12.747 3.502 1.00 0.00 C ATOM 2184 CZ TYR A 148 13.591 -13.120 4.707 1.00 0.00 C ATOM 2185 OH TYR A 148 13.675 -14.430 5.123 1.00 0.00 O ATOM 0 H TYR A 148 14.334 -6.902 2.655 1.00 0.00 H new ATOM 0 HA TYR A 148 13.165 -7.728 5.100 1.00 0.00 H new ATOM 0 HB2 TYR A 148 12.282 -8.785 3.241 1.00 0.00 H new ATOM 0 HB3 TYR A 148 13.835 -8.941 2.445 1.00 0.00 H new ATOM 0 HD1 TYR A 148 12.369 -10.148 5.699 1.00 0.00 H new ATOM 0 HD2 TYR A 148 14.496 -11.143 2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 148 12.522 -12.483 6.443 1.00 0.00 H new ATOM 0 HE2 TYR A 148 14.646 -13.479 2.885 1.00 0.00 H new ATOM 0 HH TYR A 148 14.154 -14.957 4.450 1.00 0.00 H new ATOM 2195 N ASP A 149 16.230 -8.793 4.490 1.00 0.00 N ATOM 2196 CA ASP A 149 17.411 -9.371 5.119 1.00 0.00 C ATOM 2197 C ASP A 149 17.996 -8.412 6.151 1.00 0.00 C ATOM 2198 O ASP A 149 18.944 -8.749 6.861 1.00 0.00 O ATOM 2199 CB ASP A 149 18.466 -9.707 4.063 1.00 0.00 C ATOM 2200 CG ASP A 149 18.745 -11.195 3.978 1.00 0.00 C ATOM 2201 OD1 ASP A 149 18.027 -11.892 3.231 1.00 0.00 O ATOM 2202 OD2 ASP A 149 19.682 -11.663 4.659 1.00 0.00 O ATOM 0 H ASP A 149 16.361 -8.517 3.517 1.00 0.00 H new ATOM 0 HA ASP A 149 17.112 -10.288 5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 149 18.130 -9.347 3.091 1.00 0.00 H new ATOM 0 HB3 ASP A 149 19.391 -9.179 4.296 1.00 0.00 H new ATOM 2207 N ALA A 150 17.423 -7.214 6.229 1.00 0.00 N ATOM 2208 CA ALA A 150 17.881 -6.203 7.171 1.00 0.00 C ATOM 2209 C ALA A 150 17.185 -6.359 8.517 1.00 0.00 C ATOM 2210 O ALA A 150 17.825 -6.316 9.569 1.00 0.00 O ATOM 2211 CB ALA A 150 17.631 -4.815 6.605 1.00 0.00 C ATOM 0 H ALA A 150 16.638 -6.921 5.648 1.00 0.00 H new ATOM 0 HA ALA A 150 18.952 -6.336 7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 150 17.976 -4.064 7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 150 18.173 -4.702 5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 150 16.564 -4.682 6.426 1.00 0.00 H new ATOM 2217 N ASP A 151 15.870 -6.543 8.477 1.00 0.00 N ATOM 2218 CA ASP A 151 15.083 -6.707 9.693 1.00 0.00 C ATOM 2219 C ASP A 151 14.677 -8.165 9.887 1.00 0.00 C ATOM 2220 O ASP A 151 14.527 -8.633 11.016 1.00 0.00 O ATOM 2221 CB ASP A 151 13.837 -5.821 9.644 1.00 0.00 C ATOM 2222 CG ASP A 151 13.608 -5.073 10.943 1.00 0.00 C ATOM 2223 OD1 ASP A 151 14.289 -4.052 11.168 1.00 0.00 O ATOM 2224 OD2 ASP A 151 12.746 -5.510 11.735 1.00 0.00 O ATOM 0 H ASP A 151 15.326 -6.582 7.615 1.00 0.00 H new ATOM 0 HA ASP A 151 15.701 -6.405 10.538 1.00 0.00 H new ATOM 0 HB2 ASP A 151 13.936 -5.105 8.828 1.00 0.00 H new ATOM 0 HB3 ASP A 151 12.965 -6.437 9.424 1.00 0.00 H new ATOM 2229 N GLN A 152 14.502 -8.878 8.779 1.00 0.00 N ATOM 2230 CA GLN A 152 14.115 -10.283 8.827 1.00 0.00 C ATOM 2231 C GLN A 152 12.601 -10.427 8.943 1.00 0.00 C ATOM 2232 O GLN A 152 12.098 -11.107 9.837 1.00 0.00 O ATOM 2233 CB GLN A 152 14.797 -10.983 10.004 1.00 0.00 C ATOM 2234 CG GLN A 152 14.861 -12.494 9.857 1.00 0.00 C ATOM 2235 CD GLN A 152 16.275 -13.031 9.972 1.00 0.00 C ATOM 2236 OE1 GLN A 152 16.888 -12.975 11.039 1.00 0.00 O ATOM 2237 NE2 GLN A 152 16.800 -13.556 8.871 1.00 0.00 N ATOM 0 H GLN A 152 14.622 -8.506 7.837 1.00 0.00 H new ATOM 0 HA GLN A 152 14.437 -10.754 7.898 1.00 0.00 H new ATOM 0 HB2 GLN A 152 15.809 -10.593 10.111 1.00 0.00 H new ATOM 0 HB3 GLN A 152 14.262 -10.738 10.922 1.00 0.00 H new ATOM 0 HG2 GLN A 152 14.237 -12.957 10.622 1.00 0.00 H new ATOM 0 HG3 GLN A 152 14.445 -12.779 8.891 1.00 0.00 H new ATOM 0 HE21 GLN A 152 16.256 -13.582 8.009 1.00 0.00 H new ATOM 0 HE22 GLN A 152 17.747 -13.934 8.888 1.00 0.00 H new ATOM 2246 N LYS A 153 11.879 -9.782 8.032 1.00 0.00 N ATOM 2247 CA LYS A 153 10.421 -9.840 8.032 1.00 0.00 C ATOM 2248 C LYS A 153 9.890 -10.182 6.643 1.00 0.00 C ATOM 2249 O LYS A 153 10.331 -9.617 5.642 1.00 0.00 O ATOM 2250 CB LYS A 153 9.837 -8.505 8.498 1.00 0.00 C ATOM 2251 CG LYS A 153 10.848 -7.610 9.197 1.00 0.00 C ATOM 2252 CD LYS A 153 10.218 -6.862 10.361 1.00 0.00 C ATOM 2253 CE LYS A 153 9.523 -7.812 11.323 1.00 0.00 C ATOM 2254 NZ LYS A 153 10.095 -7.731 12.696 1.00 0.00 N ATOM 0 H LYS A 153 12.279 -9.214 7.285 1.00 0.00 H new ATOM 0 HA LYS A 153 10.114 -10.625 8.723 1.00 0.00 H new ATOM 0 HB2 LYS A 153 9.430 -7.976 7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 153 9.005 -8.698 9.176 1.00 0.00 H new ATOM 0 HG2 LYS A 153 11.681 -8.213 9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 153 11.258 -6.896 8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 153 10.986 -6.301 10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 153 9.499 -6.136 9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 153 8.459 -7.578 11.359 1.00 0.00 H new ATOM 0 HE3 LYS A 153 9.612 -8.833 10.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 10.727 -8.541 12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 10.633 -6.846 12.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 9.325 -7.749 13.395 1.00 0.00 H new ATOM 2268 N PHE A 154 8.942 -11.112 6.589 1.00 0.00 N ATOM 2269 CA PHE A 154 8.352 -11.530 5.323 1.00 0.00 C ATOM 2270 C PHE A 154 6.916 -12.005 5.521 1.00 0.00 C ATOM 2271 O PHE A 154 6.461 -12.188 6.650 1.00 0.00 O ATOM 2272 CB PHE A 154 9.188 -12.644 4.690 1.00 0.00 C ATOM 2273 CG PHE A 154 9.007 -13.980 5.351 1.00 0.00 C ATOM 2274 CD1 PHE A 154 9.772 -14.334 6.452 1.00 0.00 C ATOM 2275 CD2 PHE A 154 8.073 -14.885 4.871 1.00 0.00 C ATOM 2276 CE1 PHE A 154 9.609 -15.563 7.060 1.00 0.00 C ATOM 2277 CE2 PHE A 154 7.905 -16.115 5.476 1.00 0.00 C ATOM 2278 CZ PHE A 154 8.673 -16.455 6.573 1.00 0.00 C ATOM 0 H PHE A 154 8.566 -11.590 7.408 1.00 0.00 H new ATOM 0 HA PHE A 154 8.341 -10.669 4.655 1.00 0.00 H new ATOM 0 HB2 PHE A 154 8.924 -12.731 3.636 1.00 0.00 H new ATOM 0 HB3 PHE A 154 10.241 -12.366 4.733 1.00 0.00 H new ATOM 0 HD1 PHE A 154 10.504 -13.640 6.839 1.00 0.00 H new ATOM 0 HD2 PHE A 154 7.470 -14.625 4.014 1.00 0.00 H new ATOM 0 HE1 PHE A 154 10.213 -15.827 7.916 1.00 0.00 H new ATOM 0 HE2 PHE A 154 7.174 -16.811 5.092 1.00 0.00 H new ATOM 0 HZ PHE A 154 8.542 -17.416 7.049 1.00 0.00 H new ATOM 2288 N GLY A 155 6.206 -12.203 4.414 1.00 0.00 N ATOM 2289 CA GLY A 155 4.829 -12.655 4.486 1.00 0.00 C ATOM 2290 C GLY A 155 4.331 -13.212 3.167 1.00 0.00 C ATOM 2291 O GLY A 155 4.898 -12.929 2.113 1.00 0.00 O ATOM 0 H GLY A 155 6.560 -12.058 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 155 4.741 -13.421 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 155 4.192 -11.824 4.789 1.00 0.00 H new ATOM 2295 N PHE A 156 3.266 -14.006 3.227 1.00 0.00 N ATOM 2296 CA PHE A 156 2.691 -14.602 2.027 1.00 0.00 C ATOM 2297 C PHE A 156 1.765 -13.615 1.324 1.00 0.00 C ATOM 2298 O PHE A 156 0.781 -13.152 1.901 1.00 0.00 O ATOM 2299 CB PHE A 156 1.924 -15.877 2.382 1.00 0.00 C ATOM 2300 CG PHE A 156 2.675 -16.790 3.308 1.00 0.00 C ATOM 2301 CD1 PHE A 156 4.053 -16.908 3.219 1.00 0.00 C ATOM 2302 CD2 PHE A 156 2.004 -17.530 4.268 1.00 0.00 C ATOM 2303 CE1 PHE A 156 4.748 -17.746 4.070 1.00 0.00 C ATOM 2304 CE2 PHE A 156 2.693 -18.372 5.121 1.00 0.00 C ATOM 2305 CZ PHE A 156 4.067 -18.479 5.022 1.00 0.00 C ATOM 0 H PHE A 156 2.785 -14.251 4.092 1.00 0.00 H new ATOM 0 HA PHE A 156 3.506 -14.856 1.349 1.00 0.00 H new ATOM 0 HB2 PHE A 156 0.975 -15.604 2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 156 1.688 -16.417 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 156 4.590 -16.338 2.475 1.00 0.00 H new ATOM 0 HD2 PHE A 156 0.930 -17.448 4.351 1.00 0.00 H new ATOM 0 HE1 PHE A 156 5.822 -17.828 3.991 1.00 0.00 H new ATOM 0 HE2 PHE A 156 2.158 -18.945 5.864 1.00 0.00 H new ATOM 0 HZ PHE A 156 4.608 -19.135 5.688 1.00 0.00 H new ATOM 2315 N CYS A 157 2.090 -13.293 0.076 1.00 0.00 N ATOM 2316 CA CYS A 157 1.290 -12.356 -0.703 1.00 0.00 C ATOM 2317 C CYS A 157 0.197 -13.086 -1.479 1.00 0.00 C ATOM 2318 O CYS A 157 0.143 -14.315 -1.486 1.00 0.00 O ATOM 2319 CB CYS A 157 2.188 -11.566 -1.661 1.00 0.00 C ATOM 2320 SG CYS A 157 2.409 -12.338 -3.299 1.00 0.00 S ATOM 0 H CYS A 157 2.901 -13.667 -0.417 1.00 0.00 H new ATOM 0 HA CYS A 157 0.809 -11.661 -0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 157 1.766 -10.570 -1.797 1.00 0.00 H new ATOM 0 HB3 CYS A 157 3.167 -11.437 -1.199 1.00 0.00 H new ATOM 2325 N PRO A 158 -0.695 -12.331 -2.140 1.00 0.00 N ATOM 2326 CA PRO A 158 -1.792 -12.900 -2.917 1.00 0.00 C ATOM 2327 C PRO A 158 -1.369 -13.275 -4.333 1.00 0.00 C ATOM 2328 O PRO A 158 -0.339 -12.814 -4.828 1.00 0.00 O ATOM 2329 CB PRO A 158 -2.807 -11.762 -2.942 1.00 0.00 C ATOM 2330 CG PRO A 158 -1.980 -10.518 -2.910 1.00 0.00 C ATOM 2331 CD PRO A 158 -0.703 -10.858 -2.179 1.00 0.00 C ATOM 0 HA PRO A 158 -2.171 -13.827 -2.487 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -3.427 -11.803 -3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -3.480 -11.813 -2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -1.766 -10.171 -3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -2.513 -9.713 -2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.171 -10.468 -2.700 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -0.692 -10.432 -1.176 1.00 0.00 H new ATOM 2339 N MET A 159 -2.170 -14.113 -4.982 1.00 0.00 N ATOM 2340 CA MET A 159 -1.880 -14.550 -6.344 1.00 0.00 C ATOM 2341 C MET A 159 -0.391 -14.832 -6.519 1.00 0.00 C ATOM 2342 O MET A 159 0.070 -15.948 -6.284 1.00 0.00 O ATOM 2343 CB MET A 159 -2.333 -13.490 -7.350 1.00 0.00 C ATOM 2344 CG MET A 159 -3.836 -13.469 -7.575 1.00 0.00 C ATOM 2345 SD MET A 159 -4.283 -13.725 -9.303 1.00 0.00 S ATOM 2346 CE MET A 159 -3.786 -12.160 -10.017 1.00 0.00 C ATOM 0 H MET A 159 -3.026 -14.504 -4.587 1.00 0.00 H new ATOM 0 HA MET A 159 -2.430 -15.473 -6.528 1.00 0.00 H new ATOM 0 HB2 MET A 159 -2.012 -12.509 -7.000 1.00 0.00 H new ATOM 0 HB3 MET A 159 -1.834 -13.668 -8.302 1.00 0.00 H new ATOM 0 HG2 MET A 159 -4.302 -14.243 -6.965 1.00 0.00 H new ATOM 0 HG3 MET A 159 -4.237 -12.513 -7.238 1.00 0.00 H new ATOM 0 HE1 MET A 159 -3.999 -12.164 -11.086 1.00 0.00 H new ATOM 0 HE2 MET A 159 -4.338 -11.351 -9.539 1.00 0.00 H new ATOM 0 HE3 MET A 159 -2.717 -12.012 -9.861 1.00 0.00 H new ATOM 2356 N ALA A 160 0.355 -13.813 -6.933 1.00 0.00 N ATOM 2357 CA ALA A 160 1.792 -13.953 -7.139 1.00 0.00 C ATOM 2358 C ALA A 160 2.491 -12.600 -7.062 1.00 0.00 C ATOM 2359 O ALA A 160 3.461 -12.392 -7.822 1.00 0.00 O ATOM 2360 CB ALA A 160 2.069 -14.617 -8.479 1.00 0.00 C ATOM 2361 OXT ALA A 160 2.064 -11.759 -6.244 1.00 0.00 O ATOM 0 H ALA A 160 -0.011 -12.882 -7.132 1.00 0.00 H new ATOM 0 HA ALA A 160 2.190 -14.584 -6.344 1.00 0.00 H new ATOM 0 HB1 ALA A 160 3.145 -14.716 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 160 1.609 -15.605 -8.498 1.00 0.00 H new ATOM 0 HB3 ALA A 160 1.652 -14.007 -9.280 1.00 0.00 H new TER 2367 ALA A 160 HETATM 2368 C1 NAG A 161 19.398 -2.310 -3.306 1.00 0.00 C HETATM 2369 C2 NAG A 161 20.892 -2.386 -3.043 1.00 0.00 C HETATM 2370 C3 NAG A 161 21.312 -1.176 -2.218 1.00 0.00 C HETATM 2371 C4 NAG A 161 20.985 0.131 -2.979 1.00 0.00 C HETATM 2372 C5 NAG A 161 19.434 0.141 -3.242 1.00 0.00 C HETATM 2373 C6 NAG A 161 18.992 1.370 -4.052 1.00 0.00 C HETATM 2374 C7 NAG A 161 22.275 -4.367 -2.723 1.00 0.00 C HETATM 2375 C8 NAG A 161 22.529 -5.618 -1.886 1.00 0.00 C HETATM 2376 N2 NAG A 161 21.250 -3.611 -2.342 1.00 0.00 N HETATM 2377 O3 NAG A 161 22.707 -1.236 -1.966 1.00 0.00 O HETATM 2378 O4 NAG A 161 21.403 1.218 -2.164 1.00 0.00 O HETATM 2379 O5 NAG A 161 19.084 -1.070 -3.971 1.00 0.00 O HETATM 2380 O6 NAG A 161 19.973 1.638 -5.052 1.00 0.00 O HETATM 2381 O7 NAG A 161 22.985 -4.089 -3.688 1.00 0.00 O HETATM 0 HO6 NAG A 161 19.701 2.420 -5.576 1.00 0.00 H new HETATM 0 HO4 NAG A 161 21.359 2.050 -2.680 1.00 0.00 H new HETATM 0 HO3 NAG A 161 23.044 -0.335 -1.778 1.00 0.00 H new HETATM 0 HN2 NAG A 161 20.698 -3.898 -1.534 1.00 0.00 H new HETATM 0 H83 NAG A 161 22.732 -5.331 -0.854 1.00 0.00 H new HETATM 0 H82 NAG A 161 21.650 -6.261 -1.917 1.00 0.00 H new HETATM 0 H81 NAG A 161 23.387 -6.157 -2.288 1.00 0.00 H new HETATM 0 H62 NAG A 161 18.022 1.188 -4.514 1.00 0.00 H new HETATM 0 H61 NAG A 161 18.876 2.233 -3.396 1.00 0.00 H new HETATM 0 H5 NAG A 161 18.922 0.184 -2.281 1.00 0.00 H new HETATM 0 H4 NAG A 161 21.498 0.210 -3.938 1.00 0.00 H new HETATM 0 H3 NAG A 161 20.765 -1.185 -1.275 1.00 0.00 H new HETATM 0 H2 NAG A 161 21.413 -2.389 -4.001 1.00 0.00 H new