USER MOD reduce.3.24.130724 H: found=0, std=0, add=1198, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1198 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 117 ASN : amide:sc= -3.25 K(o=-6.8,f=-10!) USER MOD Set 1.2: A 134 GLN : amide:sc= -3.51 K(o=-6.8,f=-12!) USER MOD Set 2.1: A 115 ASN :FLIP amide:sc= -2.53! F(o=-5.2,f=-4.6!) USER MOD Set 2.2: A 131 GLN :FLIP amide:sc= -2.04 F(o=-5.2!,f=-4.6) USER MOD Set 3.1: A 47 HIS :FLIP no HD1:sc= -9.68! C(o=-15!,f=-13!) USER MOD Set 3.2: A 78 ASN : amide:sc= -3.36 K(o=-13,f=-22!) USER MOD Set 4.1: A 24 HIS : no HE2:sc= -11.3! C(o=-13!,f=-13!) USER MOD Set 4.2: A 136 MET CE :methyl -136:sc= -1.57! (180deg=-2.46!) USER MOD Set 5.1: A 22 HIS : no HD1:sc= -3.82! C(o=-5.3!,f=-11!) USER MOD Set 5.2: A 68 SER OG : rot 148:sc= -1.47! USER MOD Set 6.1: A 7 HIS : no HE2:sc= -2.61 K(o=-2.6,f=-5.2!) USER MOD Set 6.2: A 8 MET CE :methyl 165:sc= -0.0273 (180deg=-0.493) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.00208 (180deg=-0.132) USER MOD Single : A 2 HIS :FLIP no HE2:sc= -2.02 F(o=-2.9,f=-2) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.38) USER MOD Single : A 13 ASN : amide:sc=-0.00554 X(o=-0.0055,f=-0.32) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -169:sc= -1.83 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -156:sc= -1.28 USER MOD Single : A 43 MET CE :methyl 142:sc= -5.69! (180deg=-10.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -140:sc= -4.78! (180deg=-10.1!) USER MOD Single : A 64 SER OG : rot 146:sc= -2.31! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00586 USER MOD Single : A 71 SER OG : rot 150:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-3.3) USER MOD Single : A 73 ASN : amide:sc= -4.05! C(o=-4.1!,f=-13!) USER MOD Single : A 76 MET CE :methyl -107:sc= -0.743 (180deg=-2.9!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -36:sc= 0.093 USER MOD Single : A 96 TYR OH : rot -31:sc= -0.707 USER MOD Single : A 106 SER OG : rot -105:sc= 0.207 USER MOD Single : A 108 LYS NZ :NH3+ 137:sc= -1.36 (180deg=-4.06!) USER MOD Single : A 110 HIS :FLIP no HE2:sc= -2.6 F(o=-5.9!,f=-2.6) USER MOD Single : A 119 ASN : amide:sc= -2.96 K(o=-3,f=-3.8) USER MOD Single : A 121 SER OG : rot 53:sc= 1.14 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 0:sc= -2.6 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot -104:sc= -0.59 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= -2.76 K(o=-2.8,f=-3.8!) USER MOD Single : A 144 THR OG1 : rot -82:sc= 0.483 USER MOD Single : A 150 LYS NZ :NH3+ 152:sc= 0.00888 (180deg=0) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.140 -15.660 -10.976 1.00 0.00 N ATOM 2 CA MET A 1 -12.674 -14.288 -11.182 1.00 0.00 C ATOM 3 C MET A 1 -13.545 -13.853 -10.007 1.00 0.00 C ATOM 4 O MET A 1 -14.334 -14.639 -9.483 1.00 0.00 O ATOM 5 CB MET A 1 -13.491 -14.273 -12.477 1.00 0.00 C ATOM 6 CG MET A 1 -14.632 -15.278 -12.487 1.00 0.00 C ATOM 7 SD MET A 1 -16.174 -14.573 -13.104 1.00 0.00 S ATOM 8 CE MET A 1 -17.146 -16.056 -13.358 1.00 0.00 C ATOM 0 H1 MET A 1 -12.214 -16.198 -11.863 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.143 -15.605 -10.687 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.689 -16.139 -10.234 1.00 0.00 H new ATOM 0 HA MET A 1 -11.842 -13.587 -11.252 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.897 -13.273 -12.629 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.828 -14.479 -13.318 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.354 -16.131 -13.106 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.788 -15.655 -11.476 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.130 -15.785 -13.739 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.643 -16.702 -14.078 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.257 -16.585 -12.411 1.00 0.00 H new ATOM 20 N HIS A 2 -13.393 -12.598 -9.599 1.00 0.00 N ATOM 21 CA HIS A 2 -14.165 -12.058 -8.485 1.00 0.00 C ATOM 22 C HIS A 2 -14.825 -10.739 -8.869 1.00 0.00 C ATOM 23 O HIS A 2 -14.148 -9.732 -9.075 1.00 0.00 O ATOM 24 CB HIS A 2 -13.265 -11.856 -7.264 1.00 0.00 C ATOM 25 CG HIS A 2 -12.035 -11.051 -7.555 1.00 0.00 C ATOM 26 ND1 HIS A 2 -11.012 -11.275 -8.412 1.00 0.00 N flip ATOM 27 CD2 HIS A 2 -11.751 -9.858 -6.926 1.00 0.00 C flip ATOM 28 CE1 HIS A 2 -10.139 -10.223 -8.287 1.00 0.00 C flip ATOM 29 NE2 HIS A 2 -10.607 -9.382 -7.384 1.00 0.00 N flip ATOM 0 H HIS A 2 -12.743 -11.936 -10.022 1.00 0.00 H new ATOM 0 HA HIS A 2 -14.947 -12.775 -8.236 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -13.837 -11.361 -6.479 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -12.969 -12.830 -6.876 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -10.909 -12.076 -9.035 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.368 -9.386 -6.176 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -9.218 -10.103 -8.838 1.00 0.00 H new ATOM 38 N HIS A 3 -16.151 -10.751 -8.963 1.00 0.00 N ATOM 39 CA HIS A 3 -16.902 -9.555 -9.323 1.00 0.00 C ATOM 40 C HIS A 3 -17.952 -9.234 -8.264 1.00 0.00 C ATOM 41 O HIS A 3 -18.156 -10.004 -7.324 1.00 0.00 O ATOM 42 CB HIS A 3 -17.573 -9.741 -10.687 1.00 0.00 C ATOM 43 CG HIS A 3 -17.138 -8.733 -11.708 1.00 0.00 C ATOM 44 ND1 HIS A 3 -15.896 -8.755 -12.306 1.00 0.00 N ATOM 45 CD2 HIS A 3 -17.789 -7.669 -12.236 1.00 0.00 C ATOM 46 CE1 HIS A 3 -15.802 -7.749 -13.157 1.00 0.00 C ATOM 47 NE2 HIS A 3 -16.936 -7.075 -13.133 1.00 0.00 N ATOM 0 H HIS A 3 -16.727 -11.576 -8.795 1.00 0.00 H new ATOM 0 HA HIS A 3 -16.204 -8.720 -9.381 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -17.352 -10.742 -11.059 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -18.654 -9.678 -10.563 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -18.792 -7.348 -11.996 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -14.943 -7.517 -13.769 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -17.145 -6.247 -13.691 1.00 0.00 H new ATOM 56 N HIS A 4 -18.616 -8.094 -8.421 1.00 0.00 N ATOM 57 CA HIS A 4 -19.644 -7.671 -7.476 1.00 0.00 C ATOM 58 C HIS A 4 -21.028 -7.735 -8.114 1.00 0.00 C ATOM 59 O HIS A 4 -21.157 -7.924 -9.325 1.00 0.00 O ATOM 60 CB HIS A 4 -19.360 -6.251 -6.983 1.00 0.00 C ATOM 61 CG HIS A 4 -19.507 -6.091 -5.501 1.00 0.00 C ATOM 62 ND1 HIS A 4 -20.530 -5.372 -4.919 1.00 0.00 N ATOM 63 CD2 HIS A 4 -18.754 -6.564 -4.481 1.00 0.00 C ATOM 64 CE1 HIS A 4 -20.398 -5.408 -3.606 1.00 0.00 C ATOM 65 NE2 HIS A 4 -19.329 -6.124 -3.314 1.00 0.00 N ATOM 0 H HIS A 4 -18.461 -7.446 -9.193 1.00 0.00 H new ATOM 0 HA HIS A 4 -19.624 -8.353 -6.626 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -18.347 -5.971 -7.272 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -20.037 -5.559 -7.484 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -17.867 -7.174 -4.568 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -21.054 -4.932 -2.892 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -18.985 -6.319 -2.374 1.00 0.00 H new ATOM 74 N HIS A 5 -22.061 -7.577 -7.293 1.00 0.00 N ATOM 75 CA HIS A 5 -23.437 -7.617 -7.777 1.00 0.00 C ATOM 76 C HIS A 5 -23.698 -6.501 -8.785 1.00 0.00 C ATOM 77 O HIS A 5 -24.656 -6.564 -9.556 1.00 0.00 O ATOM 78 CB HIS A 5 -24.414 -7.502 -6.603 1.00 0.00 C ATOM 79 CG HIS A 5 -24.968 -8.819 -6.157 1.00 0.00 C ATOM 80 ND1 HIS A 5 -26.135 -9.354 -6.659 1.00 0.00 N ATOM 81 CD2 HIS A 5 -24.507 -9.713 -5.248 1.00 0.00 C ATOM 82 CE1 HIS A 5 -26.369 -10.518 -6.079 1.00 0.00 C ATOM 83 NE2 HIS A 5 -25.396 -10.759 -5.220 1.00 0.00 N ATOM 0 H HIS A 5 -21.972 -7.420 -6.289 1.00 0.00 H new ATOM 0 HA HIS A 5 -23.591 -8.572 -8.279 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -23.907 -7.027 -5.763 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -25.238 -6.848 -6.889 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -23.608 -9.620 -4.656 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -27.213 -11.163 -6.275 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -25.317 -11.588 -4.631 1.00 0.00 H new ATOM 92 N HIS A 6 -22.846 -5.478 -8.775 1.00 0.00 N ATOM 93 CA HIS A 6 -22.990 -4.350 -9.690 1.00 0.00 C ATOM 94 C HIS A 6 -24.231 -3.530 -9.348 1.00 0.00 C ATOM 95 O HIS A 6 -25.067 -3.956 -8.551 1.00 0.00 O ATOM 96 CB HIS A 6 -23.068 -4.843 -11.140 1.00 0.00 C ATOM 97 CG HIS A 6 -21.973 -4.309 -12.009 1.00 0.00 C ATOM 98 ND1 HIS A 6 -20.727 -4.895 -12.098 1.00 0.00 N ATOM 99 CD2 HIS A 6 -21.941 -3.238 -12.838 1.00 0.00 C ATOM 100 CE1 HIS A 6 -19.978 -4.207 -12.940 1.00 0.00 C ATOM 101 NE2 HIS A 6 -20.690 -3.198 -13.404 1.00 0.00 N ATOM 0 H HIS A 6 -22.049 -5.408 -8.143 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.113 -3.712 -9.582 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -23.030 -5.932 -11.148 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -24.030 -4.555 -11.563 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -22.749 -2.545 -13.020 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -18.955 -4.432 -13.204 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -20.364 -2.501 -14.074 1.00 0.00 H new ATOM 110 N HIS A 7 -24.340 -2.350 -9.956 1.00 0.00 N ATOM 111 CA HIS A 7 -25.476 -1.459 -9.723 1.00 0.00 C ATOM 112 C HIS A 7 -25.799 -1.348 -8.234 1.00 0.00 C ATOM 113 O HIS A 7 -26.956 -1.176 -7.852 1.00 0.00 O ATOM 114 CB HIS A 7 -26.705 -1.947 -10.494 1.00 0.00 C ATOM 115 CG HIS A 7 -27.236 -3.262 -10.012 1.00 0.00 C ATOM 116 ND1 HIS A 7 -27.993 -3.396 -8.866 1.00 0.00 N ATOM 117 CD2 HIS A 7 -27.117 -4.509 -10.530 1.00 0.00 C ATOM 118 CE1 HIS A 7 -28.315 -4.668 -8.700 1.00 0.00 C ATOM 119 NE2 HIS A 7 -27.796 -5.362 -9.695 1.00 0.00 N ATOM 0 H HIS A 7 -23.652 -1.987 -10.616 1.00 0.00 H new ATOM 0 HA HIS A 7 -25.201 -0.468 -10.084 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -27.492 -1.197 -10.417 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -26.449 -2.034 -11.550 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -28.262 -2.633 -8.244 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -26.587 -4.781 -11.431 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -28.903 -5.070 -7.888 1.00 0.00 H new ATOM 128 N MET A 8 -24.768 -1.452 -7.401 1.00 0.00 N ATOM 129 CA MET A 8 -24.942 -1.364 -5.956 1.00 0.00 C ATOM 130 C MET A 8 -23.824 -0.541 -5.324 1.00 0.00 C ATOM 131 O MET A 8 -24.035 0.596 -4.905 1.00 0.00 O ATOM 132 CB MET A 8 -24.978 -2.766 -5.340 1.00 0.00 C ATOM 133 CG MET A 8 -26.197 -3.013 -4.468 1.00 0.00 C ATOM 134 SD MET A 8 -26.331 -4.729 -3.932 1.00 0.00 S ATOM 135 CE MET A 8 -27.147 -5.464 -5.346 1.00 0.00 C ATOM 0 H MET A 8 -23.804 -1.597 -7.702 1.00 0.00 H new ATOM 0 HA MET A 8 -25.890 -0.865 -5.756 1.00 0.00 H new ATOM 0 HB2 MET A 8 -24.957 -3.506 -6.140 1.00 0.00 H new ATOM 0 HB3 MET A 8 -24.078 -2.916 -4.744 1.00 0.00 H new ATOM 0 HG2 MET A 8 -26.150 -2.366 -3.592 1.00 0.00 H new ATOM 0 HG3 MET A 8 -27.096 -2.738 -5.020 1.00 0.00 H new ATOM 0 HE1 MET A 8 -27.064 -6.549 -5.290 1.00 0.00 H new ATOM 0 HE2 MET A 8 -28.199 -5.180 -5.347 1.00 0.00 H new ATOM 0 HE3 MET A 8 -26.675 -5.110 -6.263 1.00 0.00 H new ATOM 145 N SER A 9 -22.630 -1.127 -5.259 1.00 0.00 N ATOM 146 CA SER A 9 -21.473 -0.451 -4.678 1.00 0.00 C ATOM 147 C SER A 9 -21.675 -0.208 -3.185 1.00 0.00 C ATOM 148 O SER A 9 -21.112 -0.915 -2.351 1.00 0.00 O ATOM 149 CB SER A 9 -21.216 0.877 -5.398 1.00 0.00 C ATOM 150 OG SER A 9 -19.922 0.901 -5.974 1.00 0.00 O ATOM 0 H SER A 9 -22.439 -2.069 -5.602 1.00 0.00 H new ATOM 0 HA SER A 9 -20.604 -1.097 -4.805 1.00 0.00 H new ATOM 0 HB2 SER A 9 -21.966 1.025 -6.175 1.00 0.00 H new ATOM 0 HB3 SER A 9 -21.320 1.702 -4.694 1.00 0.00 H new ATOM 0 HG SER A 9 -19.782 1.758 -6.429 1.00 0.00 H new ATOM 156 N ASP A 10 -22.483 0.797 -2.856 1.00 0.00 N ATOM 157 CA ASP A 10 -22.756 1.131 -1.463 1.00 0.00 C ATOM 158 C ASP A 10 -21.480 1.549 -0.741 1.00 0.00 C ATOM 159 O ASP A 10 -20.631 0.713 -0.428 1.00 0.00 O ATOM 160 CB ASP A 10 -23.399 -0.059 -0.747 1.00 0.00 C ATOM 161 CG ASP A 10 -24.899 0.101 -0.590 1.00 0.00 C ATOM 162 OD1 ASP A 10 -25.607 0.097 -1.619 1.00 0.00 O ATOM 163 OD2 ASP A 10 -25.366 0.230 0.561 1.00 0.00 O ATOM 0 H ASP A 10 -22.959 1.392 -3.534 1.00 0.00 H new ATOM 0 HA ASP A 10 -23.449 1.972 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -23.190 -0.971 -1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -22.944 -0.176 0.237 1.00 0.00 H new ATOM 168 N GLY A 11 -21.350 2.846 -0.480 1.00 0.00 N ATOM 169 CA GLY A 11 -20.174 3.350 0.205 1.00 0.00 C ATOM 170 C GLY A 11 -18.968 3.447 -0.709 1.00 0.00 C ATOM 171 O GLY A 11 -18.454 2.432 -1.180 1.00 0.00 O ATOM 0 H GLY A 11 -22.038 3.556 -0.731 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -20.392 4.334 0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -19.938 2.696 1.045 1.00 0.00 H new ATOM 175 N HIS A 12 -18.514 4.671 -0.960 1.00 0.00 N ATOM 176 CA HIS A 12 -17.361 4.897 -1.823 1.00 0.00 C ATOM 177 C HIS A 12 -17.015 6.381 -1.892 1.00 0.00 C ATOM 178 O HIS A 12 -17.865 7.213 -2.207 1.00 0.00 O ATOM 179 CB HIS A 12 -17.634 4.360 -3.228 1.00 0.00 C ATOM 180 CG HIS A 12 -18.966 4.769 -3.775 1.00 0.00 C ATOM 181 ND1 HIS A 12 -20.063 3.933 -3.792 1.00 0.00 N ATOM 182 CD2 HIS A 12 -19.377 5.935 -4.327 1.00 0.00 C ATOM 183 CE1 HIS A 12 -21.089 4.566 -4.332 1.00 0.00 C ATOM 184 NE2 HIS A 12 -20.699 5.783 -4.664 1.00 0.00 N ATOM 0 H HIS A 12 -18.927 5.521 -0.578 1.00 0.00 H new ATOM 0 HA HIS A 12 -16.511 4.363 -1.397 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -16.851 4.710 -3.901 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -17.576 3.272 -3.210 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -18.776 6.820 -4.475 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -22.078 4.158 -4.477 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -21.285 6.495 -5.100 1.00 0.00 H new ATOM 193 N ASN A 13 -15.760 6.706 -1.598 1.00 0.00 N ATOM 194 CA ASN A 13 -15.300 8.090 -1.627 1.00 0.00 C ATOM 195 C ASN A 13 -13.801 8.158 -1.902 1.00 0.00 C ATOM 196 O ASN A 13 -13.026 7.358 -1.376 1.00 0.00 O ATOM 197 CB ASN A 13 -15.621 8.783 -0.302 1.00 0.00 C ATOM 198 CG ASN A 13 -16.951 9.508 -0.337 1.00 0.00 C ATOM 199 OD1 ASN A 13 -17.994 8.931 -0.027 1.00 0.00 O ATOM 200 ND2 ASN A 13 -16.924 10.781 -0.717 1.00 0.00 N ATOM 0 H ASN A 13 -15.043 6.029 -1.337 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.822 8.605 -2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -15.635 8.043 0.498 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.829 9.494 -0.065 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.790 11.319 -0.760 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -16.038 11.220 -0.965 1.00 0.00 H new ATOM 207 N GLY A 14 -13.399 9.117 -2.729 1.00 0.00 N ATOM 208 CA GLY A 14 -11.993 9.271 -3.060 1.00 0.00 C ATOM 209 C GLY A 14 -11.407 8.019 -3.682 1.00 0.00 C ATOM 210 O GLY A 14 -11.649 7.730 -4.853 1.00 0.00 O ATOM 0 H GLY A 14 -14.021 9.791 -3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.874 10.106 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.435 9.521 -2.158 1.00 0.00 H new ATOM 214 N LEU A 15 -10.636 7.273 -2.894 1.00 0.00 N ATOM 215 CA LEU A 15 -10.011 6.047 -3.355 1.00 0.00 C ATOM 216 C LEU A 15 -9.276 6.259 -4.674 1.00 0.00 C ATOM 217 O LEU A 15 -9.087 7.387 -5.125 1.00 0.00 O ATOM 218 CB LEU A 15 -11.054 4.930 -3.491 1.00 0.00 C ATOM 219 CG LEU A 15 -11.929 4.980 -4.751 1.00 0.00 C ATOM 220 CD1 LEU A 15 -12.015 3.605 -5.397 1.00 0.00 C ATOM 221 CD2 LEU A 15 -13.320 5.498 -4.414 1.00 0.00 C ATOM 0 H LEU A 15 -10.431 7.505 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.274 5.747 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.536 3.971 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.706 4.960 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.468 5.666 -5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.639 3.660 -6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.015 3.270 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.452 2.898 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.927 5.527 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -13.788 4.837 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.243 6.502 -3.997 1.00 0.00 H new ATOM 233 N GLY A 16 -8.869 5.155 -5.271 1.00 0.00 N ATOM 234 CA GLY A 16 -8.152 5.193 -6.534 1.00 0.00 C ATOM 235 C GLY A 16 -9.013 5.669 -7.690 1.00 0.00 C ATOM 236 O GLY A 16 -9.236 4.933 -8.651 1.00 0.00 O ATOM 0 H GLY A 16 -9.023 4.217 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.289 5.851 -6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.770 4.197 -6.759 1.00 0.00 H new ATOM 240 N LYS A 17 -9.490 6.910 -7.602 1.00 0.00 N ATOM 241 CA LYS A 17 -10.317 7.493 -8.653 1.00 0.00 C ATOM 242 C LYS A 17 -9.440 8.230 -9.657 1.00 0.00 C ATOM 243 O LYS A 17 -9.244 9.442 -9.558 1.00 0.00 O ATOM 244 CB LYS A 17 -11.351 8.448 -8.056 1.00 0.00 C ATOM 245 CG LYS A 17 -12.653 8.503 -8.841 1.00 0.00 C ATOM 246 CD LYS A 17 -13.660 9.437 -8.188 1.00 0.00 C ATOM 247 CE LYS A 17 -15.080 9.116 -8.622 1.00 0.00 C ATOM 248 NZ LYS A 17 -15.863 10.349 -8.921 1.00 0.00 N ATOM 0 H LYS A 17 -9.316 7.531 -6.811 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.846 6.689 -9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.566 8.143 -7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.923 9.449 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.451 8.838 -9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.078 7.502 -8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.583 9.356 -7.104 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.423 10.469 -8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -15.054 8.479 -9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.580 8.550 -7.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -16.826 10.086 -9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.910 10.945 -8.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.400 10.877 -9.688 1.00 0.00 H new ATOM 262 N GLY A 18 -8.895 7.482 -10.606 1.00 0.00 N ATOM 263 CA GLY A 18 -8.019 8.059 -11.606 1.00 0.00 C ATOM 264 C GLY A 18 -6.693 7.327 -11.655 1.00 0.00 C ATOM 265 O GLY A 18 -6.039 7.269 -12.698 1.00 0.00 O ATOM 0 H GLY A 18 -9.046 6.478 -10.701 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.499 8.015 -12.584 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.849 9.112 -11.381 1.00 0.00 H new ATOM 269 N PHE A 19 -6.311 6.752 -10.517 1.00 0.00 N ATOM 270 CA PHE A 19 -5.071 5.992 -10.402 1.00 0.00 C ATOM 271 C PHE A 19 -4.972 4.960 -11.522 1.00 0.00 C ATOM 272 O PHE A 19 -4.088 5.029 -12.374 1.00 0.00 O ATOM 273 CB PHE A 19 -5.033 5.291 -9.042 1.00 0.00 C ATOM 274 CG PHE A 19 -3.652 5.014 -8.517 1.00 0.00 C ATOM 275 CD1 PHE A 19 -2.571 4.882 -9.375 1.00 0.00 C ATOM 276 CD2 PHE A 19 -3.440 4.878 -7.155 1.00 0.00 C ATOM 277 CE1 PHE A 19 -1.307 4.619 -8.882 1.00 0.00 C ATOM 278 CE2 PHE A 19 -2.180 4.615 -6.657 1.00 0.00 C ATOM 279 CZ PHE A 19 -1.111 4.484 -7.522 1.00 0.00 C ATOM 0 H PHE A 19 -6.850 6.800 -9.653 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.225 6.674 -10.486 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.566 5.905 -8.317 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.574 4.348 -9.119 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.718 4.986 -10.440 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.272 4.979 -6.474 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.473 4.519 -9.560 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.030 4.512 -5.592 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.124 4.276 -7.135 1.00 0.00 H new ATOM 289 N GLY A 20 -5.901 4.012 -11.511 1.00 0.00 N ATOM 290 CA GLY A 20 -5.930 2.976 -12.524 1.00 0.00 C ATOM 291 C GLY A 20 -7.342 2.465 -12.756 1.00 0.00 C ATOM 292 O GLY A 20 -7.887 2.591 -13.852 1.00 0.00 O ATOM 0 H GLY A 20 -6.640 3.943 -10.812 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.525 3.367 -13.458 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.288 2.149 -12.219 1.00 0.00 H new ATOM 296 N ASP A 21 -7.933 1.899 -11.706 1.00 0.00 N ATOM 297 CA ASP A 21 -9.295 1.371 -11.761 1.00 0.00 C ATOM 298 C ASP A 21 -9.689 0.772 -10.406 1.00 0.00 C ATOM 299 O ASP A 21 -10.187 1.480 -9.532 1.00 0.00 O ATOM 300 CB ASP A 21 -9.424 0.331 -12.881 1.00 0.00 C ATOM 301 CG ASP A 21 -10.834 -0.217 -13.004 1.00 0.00 C ATOM 302 OD1 ASP A 21 -11.413 -0.607 -11.969 1.00 0.00 O ATOM 303 OD2 ASP A 21 -11.358 -0.255 -14.137 1.00 0.00 O ATOM 0 H ASP A 21 -7.484 1.793 -10.796 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.979 2.190 -11.983 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.129 0.783 -13.828 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.733 -0.491 -12.691 1.00 0.00 H new ATOM 308 N HIS A 22 -9.443 -0.526 -10.227 1.00 0.00 N ATOM 309 CA HIS A 22 -9.753 -1.205 -8.971 1.00 0.00 C ATOM 310 C HIS A 22 -8.469 -1.335 -8.144 1.00 0.00 C ATOM 311 O HIS A 22 -8.322 -0.719 -7.087 1.00 0.00 O ATOM 312 CB HIS A 22 -10.385 -2.575 -9.262 1.00 0.00 C ATOM 313 CG HIS A 22 -9.704 -3.360 -10.342 1.00 0.00 C ATOM 314 ND1 HIS A 22 -8.849 -4.411 -10.081 1.00 0.00 N ATOM 315 CD2 HIS A 22 -9.762 -3.256 -11.693 1.00 0.00 C ATOM 316 CE1 HIS A 22 -8.414 -4.918 -11.221 1.00 0.00 C ATOM 317 NE2 HIS A 22 -8.955 -4.237 -12.212 1.00 0.00 N ATOM 0 H HIS A 22 -9.029 -1.128 -10.938 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.475 -0.626 -8.395 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.381 -3.164 -8.345 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.428 -2.427 -9.541 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.337 -2.535 -12.256 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.732 -5.749 -11.324 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.799 -4.411 -13.205 1.00 0.00 H new ATOM 326 N ILE A 23 -7.523 -2.077 -8.695 1.00 0.00 N ATOM 327 CA ILE A 23 -6.187 -2.258 -8.124 1.00 0.00 C ATOM 328 C ILE A 23 -6.094 -2.204 -6.565 1.00 0.00 C ATOM 329 O ILE A 23 -6.768 -2.960 -5.828 1.00 0.00 O ATOM 330 CB ILE A 23 -5.265 -1.179 -8.744 1.00 0.00 C ATOM 331 CG1 ILE A 23 -5.537 -1.020 -10.248 1.00 0.00 C ATOM 332 CG2 ILE A 23 -3.799 -1.482 -8.492 1.00 0.00 C ATOM 333 CD1 ILE A 23 -4.926 -2.106 -11.105 1.00 0.00 C ATOM 0 H ILE A 23 -7.659 -2.583 -9.570 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.881 -3.275 -8.371 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.496 -0.234 -8.252 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.615 -1.006 -10.412 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.152 -0.054 -10.576 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.184 -0.703 -8.942 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.614 -1.516 -7.418 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.545 -2.445 -8.934 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.164 -1.920 -12.152 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.844 -2.107 -10.974 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.329 -3.074 -10.807 1.00 0.00 H new ATOM 345 N HIS A 24 -5.196 -1.331 -6.076 1.00 0.00 N ATOM 346 CA HIS A 24 -4.925 -1.184 -4.655 1.00 0.00 C ATOM 347 C HIS A 24 -5.914 -0.253 -3.963 1.00 0.00 C ATOM 348 O HIS A 24 -5.555 0.429 -3.008 1.00 0.00 O ATOM 349 CB HIS A 24 -3.504 -0.657 -4.447 1.00 0.00 C ATOM 350 CG HIS A 24 -2.532 -1.112 -5.495 1.00 0.00 C ATOM 351 ND1 HIS A 24 -2.340 -2.438 -5.819 1.00 0.00 N ATOM 352 CD2 HIS A 24 -1.694 -0.407 -6.294 1.00 0.00 C ATOM 353 CE1 HIS A 24 -1.426 -2.532 -6.768 1.00 0.00 C ATOM 354 NE2 HIS A 24 -1.020 -1.314 -7.075 1.00 0.00 N ATOM 0 H HIS A 24 -4.642 -0.710 -6.666 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.033 -2.172 -4.207 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.528 0.433 -4.435 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.147 -0.978 -3.469 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -2.828 -3.225 -5.392 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -1.578 0.667 -6.313 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.072 -3.449 -7.216 1.00 0.00 H new ATOM 363 N TRP A 25 -7.153 -0.230 -4.433 1.00 0.00 N ATOM 364 CA TRP A 25 -8.164 0.626 -3.829 1.00 0.00 C ATOM 365 C TRP A 25 -9.555 0.021 -3.903 1.00 0.00 C ATOM 366 O TRP A 25 -10.500 0.597 -3.363 1.00 0.00 O ATOM 367 CB TRP A 25 -8.181 1.997 -4.489 1.00 0.00 C ATOM 368 CG TRP A 25 -7.634 1.997 -5.873 1.00 0.00 C ATOM 369 CD1 TRP A 25 -8.352 1.983 -7.027 1.00 0.00 C ATOM 370 CD2 TRP A 25 -6.254 2.008 -6.257 1.00 0.00 C ATOM 371 NE1 TRP A 25 -7.507 1.997 -8.103 1.00 0.00 N ATOM 372 CE2 TRP A 25 -6.217 2.011 -7.661 1.00 0.00 C ATOM 373 CE3 TRP A 25 -5.047 2.017 -5.555 1.00 0.00 C ATOM 374 CZ2 TRP A 25 -5.024 2.026 -8.378 1.00 0.00 C ATOM 375 CZ3 TRP A 25 -3.863 2.028 -6.268 1.00 0.00 C ATOM 376 CH2 TRP A 25 -3.859 2.034 -7.666 1.00 0.00 C ATOM 0 H TRP A 25 -7.480 -0.788 -5.222 1.00 0.00 H new ATOM 0 HA TRP A 25 -7.892 0.726 -2.778 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.206 2.368 -4.512 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -7.604 2.692 -3.879 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -9.430 1.964 -7.086 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -7.796 1.997 -9.081 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -5.039 2.015 -4.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.020 2.031 -9.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.924 2.032 -5.735 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.916 2.045 -8.193 1.00 0.00 H new ATOM 387 N ARG A 26 -9.699 -1.126 -4.569 1.00 0.00 N ATOM 388 CA ARG A 26 -11.016 -1.756 -4.676 1.00 0.00 C ATOM 389 C ARG A 26 -11.805 -1.606 -3.370 1.00 0.00 C ATOM 390 O ARG A 26 -13.005 -1.332 -3.392 1.00 0.00 O ATOM 391 CB ARG A 26 -10.916 -3.244 -5.026 1.00 0.00 C ATOM 392 CG ARG A 26 -9.894 -3.570 -6.097 1.00 0.00 C ATOM 393 CD ARG A 26 -10.180 -4.919 -6.741 1.00 0.00 C ATOM 394 NE ARG A 26 -11.465 -4.936 -7.438 1.00 0.00 N ATOM 395 CZ ARG A 26 -11.799 -5.841 -8.355 1.00 0.00 C ATOM 396 NH1 ARG A 26 -10.946 -6.802 -8.690 1.00 0.00 N ATOM 397 NH2 ARG A 26 -12.988 -5.786 -8.938 1.00 0.00 N ATOM 0 H ARG A 26 -8.941 -1.627 -5.032 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.538 -1.242 -5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.667 -3.801 -4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.894 -3.593 -5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.902 -2.791 -6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.896 -3.578 -5.660 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.383 -5.160 -7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.174 -5.694 -5.975 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.145 -4.212 -7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.030 -6.849 -8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.207 -7.493 -9.393 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.647 -5.050 -8.684 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.244 -6.480 -9.641 1.00 0.00 H new ATOM 411 N THR A 27 -11.120 -1.783 -2.232 1.00 0.00 N ATOM 412 CA THR A 27 -11.757 -1.664 -0.921 1.00 0.00 C ATOM 413 C THR A 27 -10.808 -2.117 0.185 1.00 0.00 C ATOM 414 O THR A 27 -10.243 -3.209 0.122 1.00 0.00 O ATOM 415 CB THR A 27 -13.050 -2.485 -0.861 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.060 -3.490 -1.865 1.00 0.00 O ATOM 417 CG2 THR A 27 -14.301 -1.646 -1.025 1.00 0.00 C ATOM 0 H THR A 27 -10.126 -2.009 -2.197 1.00 0.00 H new ATOM 0 HA THR A 27 -12.003 -0.613 -0.769 1.00 0.00 H new ATOM 0 HB THR A 27 -13.063 -2.930 0.134 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.955 -3.884 -1.924 1.00 0.00 H new ATOM 0 HG21 THR A 27 -15.180 -2.289 -0.973 1.00 0.00 H new ATOM 0 HG22 THR A 27 -14.347 -0.903 -0.229 1.00 0.00 H new ATOM 0 HG23 THR A 27 -14.277 -1.142 -1.991 1.00 0.00 H new ATOM 425 N LEU A 28 -10.640 -1.271 1.197 1.00 0.00 N ATOM 426 CA LEU A 28 -9.761 -1.584 2.317 1.00 0.00 C ATOM 427 C LEU A 28 -10.233 -2.839 3.045 1.00 0.00 C ATOM 428 O LEU A 28 -9.469 -3.788 3.227 1.00 0.00 O ATOM 429 CB LEU A 28 -9.703 -0.408 3.293 1.00 0.00 C ATOM 430 CG LEU A 28 -8.665 -0.543 4.408 1.00 0.00 C ATOM 431 CD1 LEU A 28 -8.275 0.825 4.944 1.00 0.00 C ATOM 432 CD2 LEU A 28 -9.200 -1.425 5.527 1.00 0.00 C ATOM 0 H LEU A 28 -11.101 -0.364 1.264 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.762 -1.768 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.493 0.502 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.686 -0.283 3.746 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.773 -1.014 3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.536 0.708 5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.851 1.424 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.158 1.325 5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.449 -1.511 6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.107 -0.981 5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.428 -2.415 5.133 1.00 0.00 H new ATOM 444 N GLU A 29 -11.497 -2.838 3.457 1.00 0.00 N ATOM 445 CA GLU A 29 -12.070 -3.977 4.165 1.00 0.00 C ATOM 446 C GLU A 29 -11.985 -5.243 3.318 1.00 0.00 C ATOM 447 O GLU A 29 -11.399 -6.244 3.735 1.00 0.00 O ATOM 448 CB GLU A 29 -13.529 -3.695 4.533 1.00 0.00 C ATOM 449 CG GLU A 29 -14.109 -4.689 5.526 1.00 0.00 C ATOM 450 CD GLU A 29 -15.400 -5.319 5.038 1.00 0.00 C ATOM 451 OE1 GLU A 29 -15.344 -6.120 4.083 1.00 0.00 O ATOM 452 OE2 GLU A 29 -16.465 -5.008 5.609 1.00 0.00 O ATOM 0 H GLU A 29 -12.143 -2.062 3.313 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.495 -4.131 5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.602 -2.691 4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.133 -3.706 3.625 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.377 -5.473 5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.292 -4.184 6.475 1.00 0.00 H new ATOM 459 N ASP A 30 -12.569 -5.191 2.125 1.00 0.00 N ATOM 460 CA ASP A 30 -12.555 -6.333 1.218 1.00 0.00 C ATOM 461 C ASP A 30 -11.123 -6.738 0.877 1.00 0.00 C ATOM 462 O ASP A 30 -10.846 -7.907 0.609 1.00 0.00 O ATOM 463 CB ASP A 30 -13.325 -6.002 -0.063 1.00 0.00 C ATOM 464 CG ASP A 30 -14.744 -6.536 -0.037 1.00 0.00 C ATOM 465 OD1 ASP A 30 -14.954 -7.687 -0.475 1.00 0.00 O ATOM 466 OD2 ASP A 30 -15.644 -5.802 0.422 1.00 0.00 O ATOM 0 H ASP A 30 -13.057 -4.371 1.764 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.041 -7.171 1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.349 -4.921 -0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.797 -6.421 -0.920 1.00 0.00 H new ATOM 471 N GLY A 31 -10.219 -5.764 0.893 1.00 0.00 N ATOM 472 CA GLY A 31 -8.826 -6.039 0.588 1.00 0.00 C ATOM 473 C GLY A 31 -8.223 -7.066 1.526 1.00 0.00 C ATOM 474 O GLY A 31 -7.469 -7.940 1.100 1.00 0.00 O ATOM 0 H GLY A 31 -10.425 -4.789 1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.745 -6.396 -0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.253 -5.114 0.650 1.00 0.00 H new ATOM 478 N LYS A 32 -8.556 -6.958 2.809 1.00 0.00 N ATOM 479 CA LYS A 32 -8.044 -7.885 3.810 1.00 0.00 C ATOM 480 C LYS A 32 -8.633 -9.278 3.611 1.00 0.00 C ATOM 481 O LYS A 32 -7.933 -10.282 3.733 1.00 0.00 O ATOM 482 CB LYS A 32 -8.366 -7.378 5.218 1.00 0.00 C ATOM 483 CG LYS A 32 -7.650 -8.144 6.318 1.00 0.00 C ATOM 484 CD LYS A 32 -8.599 -9.066 7.067 1.00 0.00 C ATOM 485 CE LYS A 32 -9.263 -8.353 8.234 1.00 0.00 C ATOM 486 NZ LYS A 32 -9.661 -9.302 9.310 1.00 0.00 N ATOM 0 H LYS A 32 -9.177 -6.238 3.178 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.962 -7.947 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.097 -6.324 5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.442 -7.444 5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.839 -8.730 5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.198 -7.440 7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.363 -9.437 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.051 -9.934 7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.579 -7.608 8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.143 -7.817 7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.110 -8.777 10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.333 -9.998 8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.818 -9.795 9.667 1.00 0.00 H new ATOM 500 N LYS A 33 -9.924 -9.328 3.299 1.00 0.00 N ATOM 501 CA LYS A 33 -10.607 -10.597 3.078 1.00 0.00 C ATOM 502 C LYS A 33 -10.073 -11.290 1.829 1.00 0.00 C ATOM 503 O LYS A 33 -9.938 -12.512 1.795 1.00 0.00 O ATOM 504 CB LYS A 33 -12.115 -10.374 2.950 1.00 0.00 C ATOM 505 CG LYS A 33 -12.917 -11.664 2.887 1.00 0.00 C ATOM 506 CD LYS A 33 -14.124 -11.525 1.975 1.00 0.00 C ATOM 507 CE LYS A 33 -14.361 -12.790 1.165 1.00 0.00 C ATOM 508 NZ LYS A 33 -13.818 -12.675 -0.216 1.00 0.00 N ATOM 0 H LYS A 33 -10.517 -8.505 3.194 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.416 -11.240 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.460 -9.783 3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.313 -9.789 2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.280 -12.473 2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -13.246 -11.938 3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -15.009 -11.303 2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -13.976 -10.682 1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.895 -13.636 1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.430 -12.996 1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.000 -13.558 -0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.281 -11.883 -0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.793 -12.504 -0.173 1.00 0.00 H new ATOM 522 N GLU A 34 -9.771 -10.498 0.805 1.00 0.00 N ATOM 523 CA GLU A 34 -9.250 -11.034 -0.447 1.00 0.00 C ATOM 524 C GLU A 34 -7.814 -11.518 -0.272 1.00 0.00 C ATOM 525 O GLU A 34 -7.470 -12.628 -0.679 1.00 0.00 O ATOM 526 CB GLU A 34 -9.313 -9.973 -1.546 1.00 0.00 C ATOM 527 CG GLU A 34 -8.851 -10.479 -2.903 1.00 0.00 C ATOM 528 CD GLU A 34 -9.650 -9.886 -4.048 1.00 0.00 C ATOM 529 OE1 GLU A 34 -9.369 -8.732 -4.432 1.00 0.00 O ATOM 530 OE2 GLU A 34 -10.555 -10.576 -4.559 1.00 0.00 O ATOM 0 H GLU A 34 -9.878 -9.484 0.818 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.869 -11.883 -0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.337 -9.610 -1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.697 -9.122 -1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.797 -10.238 -3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.935 -11.565 -2.930 1.00 0.00 H new ATOM 537 N ALA A 35 -6.983 -10.679 0.336 1.00 0.00 N ATOM 538 CA ALA A 35 -5.585 -11.025 0.568 1.00 0.00 C ATOM 539 C ALA A 35 -5.463 -12.326 1.354 1.00 0.00 C ATOM 540 O ALA A 35 -4.446 -13.014 1.279 1.00 0.00 O ATOM 541 CB ALA A 35 -4.877 -9.895 1.302 1.00 0.00 C ATOM 0 H ALA A 35 -7.252 -9.756 0.677 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.108 -11.171 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.835 -10.166 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.924 -8.986 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.365 -9.722 2.261 1.00 0.00 H new ATOM 547 N ALA A 36 -6.508 -12.658 2.107 1.00 0.00 N ATOM 548 CA ALA A 36 -6.519 -13.877 2.906 1.00 0.00 C ATOM 549 C ALA A 36 -6.490 -15.116 2.017 1.00 0.00 C ATOM 550 O ALA A 36 -5.813 -16.096 2.327 1.00 0.00 O ATOM 551 CB ALA A 36 -7.742 -13.901 3.810 1.00 0.00 C ATOM 0 H ALA A 36 -7.358 -12.099 2.180 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.622 -13.886 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.739 -14.816 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.719 -13.038 4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.645 -13.866 3.201 1.00 0.00 H new ATOM 557 N ALA A 37 -7.227 -15.065 0.912 1.00 0.00 N ATOM 558 CA ALA A 37 -7.283 -16.185 -0.022 1.00 0.00 C ATOM 559 C ALA A 37 -5.883 -16.587 -0.477 1.00 0.00 C ATOM 560 O ALA A 37 -5.334 -17.588 -0.015 1.00 0.00 O ATOM 561 CB ALA A 37 -8.148 -15.828 -1.222 1.00 0.00 C ATOM 0 H ALA A 37 -7.793 -14.261 0.641 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.729 -17.036 0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.181 -16.672 -1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.158 -15.594 -0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.725 -14.961 -1.730 1.00 0.00 H new ATOM 567 N SER A 38 -5.308 -15.798 -1.378 1.00 0.00 N ATOM 568 CA SER A 38 -3.971 -16.069 -1.889 1.00 0.00 C ATOM 569 C SER A 38 -2.919 -15.842 -0.805 1.00 0.00 C ATOM 570 O SER A 38 -1.811 -16.375 -0.879 1.00 0.00 O ATOM 571 CB SER A 38 -3.673 -15.178 -3.097 1.00 0.00 C ATOM 572 OG SER A 38 -4.361 -13.943 -3.000 1.00 0.00 O ATOM 0 H SER A 38 -5.748 -14.965 -1.769 1.00 0.00 H new ATOM 0 HA SER A 38 -3.932 -17.114 -2.198 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.600 -14.996 -3.163 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.967 -15.691 -4.013 1.00 0.00 H new ATOM 0 HG SER A 38 -4.478 -13.562 -3.895 1.00 0.00 H new ATOM 578 N GLY A 39 -3.271 -15.045 0.201 1.00 0.00 N ATOM 579 CA GLY A 39 -2.349 -14.759 1.283 1.00 0.00 C ATOM 580 C GLY A 39 -1.359 -13.670 0.924 1.00 0.00 C ATOM 581 O GLY A 39 -0.270 -13.600 1.494 1.00 0.00 O ATOM 0 H GLY A 39 -4.181 -14.592 0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.912 -14.458 2.167 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.807 -15.668 1.545 1.00 0.00 H new ATOM 585 N LEU A 40 -1.737 -12.813 -0.021 1.00 0.00 N ATOM 586 CA LEU A 40 -0.871 -11.722 -0.446 1.00 0.00 C ATOM 587 C LEU A 40 -0.980 -10.543 0.520 1.00 0.00 C ATOM 588 O LEU A 40 -1.995 -10.376 1.196 1.00 0.00 O ATOM 589 CB LEU A 40 -1.211 -11.291 -1.876 1.00 0.00 C ATOM 590 CG LEU A 40 -2.456 -10.414 -2.023 1.00 0.00 C ATOM 591 CD1 LEU A 40 -2.058 -8.960 -2.188 1.00 0.00 C ATOM 592 CD2 LEU A 40 -3.302 -10.874 -3.201 1.00 0.00 C ATOM 0 H LEU A 40 -2.634 -12.854 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 40 0.160 -12.075 -0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.358 -10.751 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.345 -12.186 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.055 -10.510 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.953 -8.347 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.495 -8.635 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.439 -8.851 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.182 -10.237 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.716 -10.809 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.615 -11.906 -3.043 1.00 0.00 H new ATOM 604 N PRO A 41 0.076 -9.717 0.609 1.00 0.00 N ATOM 605 CA PRO A 41 0.109 -8.556 1.513 1.00 0.00 C ATOM 606 C PRO A 41 -0.903 -7.477 1.148 1.00 0.00 C ATOM 607 O PRO A 41 -1.430 -7.445 0.033 1.00 0.00 O ATOM 608 CB PRO A 41 1.534 -8.020 1.347 1.00 0.00 C ATOM 609 CG PRO A 41 1.953 -8.495 0.002 1.00 0.00 C ATOM 610 CD PRO A 41 1.330 -9.851 -0.152 1.00 0.00 C ATOM 0 HA PRO A 41 -0.149 -8.841 2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.559 -6.932 1.410 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.195 -8.400 2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.612 -7.815 -0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.039 -8.550 -0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.145 -10.096 -1.198 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.967 -10.638 0.252 1.00 0.00 H new ATOM 618 N LEU A 42 -1.159 -6.581 2.099 1.00 0.00 N ATOM 619 CA LEU A 42 -2.095 -5.494 1.878 1.00 0.00 C ATOM 620 C LEU A 42 -1.404 -4.352 1.143 1.00 0.00 C ATOM 621 O LEU A 42 -0.177 -4.201 1.208 1.00 0.00 O ATOM 622 CB LEU A 42 -2.665 -4.997 3.211 1.00 0.00 C ATOM 623 CG LEU A 42 -3.898 -5.749 3.717 1.00 0.00 C ATOM 624 CD1 LEU A 42 -4.374 -5.157 5.034 1.00 0.00 C ATOM 625 CD2 LEU A 42 -5.013 -5.713 2.684 1.00 0.00 C ATOM 0 H LEU A 42 -0.731 -6.590 3.025 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.919 -5.862 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.884 -5.063 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.920 -3.942 3.107 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.621 -6.790 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.252 -5.702 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.580 -5.236 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.632 -4.108 4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.879 -6.254 3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.290 -4.678 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.670 -6.182 1.762 1.00 0.00 H new ATOM 637 N MET A 43 -2.192 -3.556 0.441 1.00 0.00 N ATOM 638 CA MET A 43 -1.667 -2.431 -0.312 1.00 0.00 C ATOM 639 C MET A 43 -2.200 -1.122 0.254 1.00 0.00 C ATOM 640 O MET A 43 -3.207 -0.592 -0.226 1.00 0.00 O ATOM 641 CB MET A 43 -2.044 -2.582 -1.790 1.00 0.00 C ATOM 642 CG MET A 43 -1.081 -1.900 -2.755 1.00 0.00 C ATOM 643 SD MET A 43 0.654 -2.231 -2.395 1.00 0.00 S ATOM 644 CE MET A 43 1.077 -0.803 -1.403 1.00 0.00 C ATOM 0 H MET A 43 -3.204 -3.670 0.377 1.00 0.00 H new ATOM 0 HA MET A 43 -0.580 -2.416 -0.228 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.094 -3.643 -2.034 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.043 -2.173 -1.942 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.302 -2.230 -3.770 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.251 -0.824 -2.725 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.751 -1.104 -0.601 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.567 -0.057 -2.029 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.170 -0.377 -0.974 1.00 0.00 H new ATOM 654 N VAL A 44 -1.526 -0.614 1.290 1.00 0.00 N ATOM 655 CA VAL A 44 -1.941 0.624 1.939 1.00 0.00 C ATOM 656 C VAL A 44 -1.361 1.845 1.234 1.00 0.00 C ATOM 657 O VAL A 44 -0.453 2.502 1.741 1.00 0.00 O ATOM 658 CB VAL A 44 -1.544 0.651 3.431 1.00 0.00 C ATOM 659 CG1 VAL A 44 -0.037 0.619 3.599 1.00 0.00 C ATOM 660 CG2 VAL A 44 -2.149 1.866 4.114 1.00 0.00 C ATOM 0 H VAL A 44 -0.693 -1.043 1.693 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.028 0.660 1.870 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.942 -0.244 3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.211 0.639 4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.360 -0.292 3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.402 1.487 3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.862 1.873 5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.785 2.773 3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.235 1.824 4.035 1.00 0.00 H new ATOM 670 N ILE A 45 -1.895 2.151 0.063 1.00 0.00 N ATOM 671 CA ILE A 45 -1.427 3.299 -0.696 1.00 0.00 C ATOM 672 C ILE A 45 -2.270 4.526 -0.389 1.00 0.00 C ATOM 673 O ILE A 45 -3.440 4.603 -0.766 1.00 0.00 O ATOM 674 CB ILE A 45 -1.454 3.024 -2.212 1.00 0.00 C ATOM 675 CG1 ILE A 45 -1.014 1.586 -2.493 1.00 0.00 C ATOM 676 CG2 ILE A 45 -0.554 4.011 -2.939 1.00 0.00 C ATOM 677 CD1 ILE A 45 -0.814 1.280 -3.961 1.00 0.00 C ATOM 0 H ILE A 45 -2.648 1.625 -0.380 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.396 3.485 -0.396 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.473 3.152 -2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.082 1.391 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.761 0.903 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.581 3.807 -4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.904 5.027 -2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.468 3.907 -2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.503 0.242 -4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.749 1.441 -4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.045 1.937 -4.368 1.00 0.00 H new ATOM 689 N ILE A 46 -1.677 5.486 0.310 1.00 0.00 N ATOM 690 CA ILE A 46 -2.386 6.700 0.667 1.00 0.00 C ATOM 691 C ILE A 46 -1.861 7.883 -0.126 1.00 0.00 C ATOM 692 O ILE A 46 -0.658 8.002 -0.360 1.00 0.00 O ATOM 693 CB ILE A 46 -2.286 6.986 2.174 1.00 0.00 C ATOM 694 CG1 ILE A 46 -2.705 5.745 2.960 1.00 0.00 C ATOM 695 CG2 ILE A 46 -3.155 8.177 2.552 1.00 0.00 C ATOM 696 CD1 ILE A 46 -2.010 5.606 4.296 1.00 0.00 C ATOM 0 H ILE A 46 -0.712 5.445 0.638 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.437 6.550 0.420 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.253 7.231 2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.782 5.776 3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.499 4.859 2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.071 8.364 3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.823 9.058 2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.194 7.963 2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.359 4.702 4.795 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.933 5.542 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.237 6.473 4.916 1.00 0.00 H new ATOM 708 N HIS A 47 -2.772 8.740 -0.561 1.00 0.00 N ATOM 709 CA HIS A 47 -2.393 9.898 -1.361 1.00 0.00 C ATOM 710 C HIS A 47 -3.051 11.173 -0.858 1.00 0.00 C ATOM 711 O HIS A 47 -4.270 11.329 -0.938 1.00 0.00 O ATOM 712 CB HIS A 47 -2.772 9.662 -2.823 1.00 0.00 C ATOM 713 CG HIS A 47 -2.486 8.269 -3.290 1.00 0.00 C ATOM 714 ND1 HIS A 47 -2.933 7.074 -2.836 1.00 0.00 N flip ATOM 715 CD2 HIS A 47 -1.642 7.987 -4.340 1.00 0.00 C flip ATOM 716 CE1 HIS A 47 -2.357 6.100 -3.614 1.00 0.00 C flip ATOM 717 NE2 HIS A 47 -1.580 6.680 -4.512 1.00 0.00 N flip ATOM 0 H HIS A 47 -3.772 8.658 -0.376 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.314 10.024 -1.273 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.834 9.871 -2.955 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.228 10.367 -3.451 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.113 8.720 -4.931 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.513 5.036 -3.509 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -1.025 6.198 -5.220 1.00 0.00 H new ATOM 726 N LYS A 48 -2.236 12.091 -0.351 1.00 0.00 N ATOM 727 CA LYS A 48 -2.751 13.366 0.151 1.00 0.00 C ATOM 728 C LYS A 48 -2.189 14.538 -0.649 1.00 0.00 C ATOM 729 O LYS A 48 -1.066 14.481 -1.150 1.00 0.00 O ATOM 730 CB LYS A 48 -2.424 13.535 1.634 1.00 0.00 C ATOM 731 CG LYS A 48 -3.654 13.569 2.526 1.00 0.00 C ATOM 732 CD LYS A 48 -3.277 13.746 3.988 1.00 0.00 C ATOM 733 CE LYS A 48 -4.508 13.950 4.858 1.00 0.00 C ATOM 734 NZ LYS A 48 -5.023 15.344 4.770 1.00 0.00 N ATOM 0 H LYS A 48 -1.225 11.981 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.834 13.357 0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.778 12.717 1.951 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.860 14.458 1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.307 14.385 2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.219 12.645 2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.728 12.870 4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.610 14.602 4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.289 13.254 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.263 13.718 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.862 15.443 5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.287 16.007 5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.281 15.557 3.785 1.00 0.00 H new ATOM 748 N SER A 49 -2.981 15.601 -0.762 1.00 0.00 N ATOM 749 CA SER A 49 -2.568 16.792 -1.499 1.00 0.00 C ATOM 750 C SER A 49 -2.305 16.461 -2.965 1.00 0.00 C ATOM 751 O SER A 49 -2.453 15.314 -3.389 1.00 0.00 O ATOM 752 CB SER A 49 -1.313 17.397 -0.869 1.00 0.00 C ATOM 753 OG SER A 49 -1.592 17.932 0.413 1.00 0.00 O ATOM 0 H SER A 49 -3.913 15.662 -0.352 1.00 0.00 H new ATOM 0 HA SER A 49 -3.379 17.519 -1.449 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.539 16.633 -0.787 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.920 18.181 -1.516 1.00 0.00 H new ATOM 0 HG SER A 49 -0.773 18.311 0.795 1.00 0.00 H new ATOM 759 N TRP A 50 -1.914 17.473 -3.737 1.00 0.00 N ATOM 760 CA TRP A 50 -1.627 17.289 -5.158 1.00 0.00 C ATOM 761 C TRP A 50 -0.726 16.078 -5.379 1.00 0.00 C ATOM 762 O TRP A 50 -1.000 15.239 -6.235 1.00 0.00 O ATOM 763 CB TRP A 50 -0.963 18.545 -5.733 1.00 0.00 C ATOM 764 CG TRP A 50 0.148 19.077 -4.877 1.00 0.00 C ATOM 765 CD1 TRP A 50 0.030 19.934 -3.821 1.00 0.00 C ATOM 766 CD2 TRP A 50 1.545 18.788 -5.007 1.00 0.00 C ATOM 767 NE1 TRP A 50 1.268 20.195 -3.284 1.00 0.00 N ATOM 768 CE2 TRP A 50 2.214 19.503 -3.995 1.00 0.00 C ATOM 769 CE3 TRP A 50 2.295 17.994 -5.878 1.00 0.00 C ATOM 770 CZ2 TRP A 50 3.596 19.447 -3.832 1.00 0.00 C ATOM 771 CZ3 TRP A 50 3.667 17.940 -5.716 1.00 0.00 C ATOM 772 CH2 TRP A 50 4.305 18.662 -4.699 1.00 0.00 C ATOM 0 H TRP A 50 -1.789 18.428 -3.403 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.571 17.116 -5.674 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.571 18.318 -6.724 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -1.718 19.321 -5.859 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -0.900 20.347 -3.460 1.00 0.00 H new ATOM 0 HE1 TRP A 50 1.453 20.804 -2.487 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.812 17.432 -6.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 4.090 20.003 -3.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 4.257 17.331 -6.385 1.00 0.00 H new ATOM 0 HH2 TRP A 50 5.378 18.597 -4.598 1.00 0.00 H new ATOM 783 N CYS A 51 0.342 16.001 -4.587 1.00 0.00 N ATOM 784 CA CYS A 51 1.303 14.899 -4.660 1.00 0.00 C ATOM 785 C CYS A 51 1.588 14.468 -6.103 1.00 0.00 C ATOM 786 O CYS A 51 0.817 13.720 -6.703 1.00 0.00 O ATOM 787 CB CYS A 51 0.794 13.701 -3.849 1.00 0.00 C ATOM 788 SG CYS A 51 -0.761 12.974 -4.466 1.00 0.00 S ATOM 0 H CYS A 51 0.566 16.699 -3.878 1.00 0.00 H new ATOM 0 HA CYS A 51 2.240 15.261 -4.236 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.564 12.929 -3.843 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.649 14.014 -2.815 1.00 0.00 H new ATOM 793 N GLY A 52 2.708 14.932 -6.654 1.00 0.00 N ATOM 794 CA GLY A 52 3.063 14.561 -8.014 1.00 0.00 C ATOM 795 C GLY A 52 3.221 13.063 -8.165 1.00 0.00 C ATOM 796 O GLY A 52 2.997 12.512 -9.243 1.00 0.00 O ATOM 0 H GLY A 52 3.370 15.552 -6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.294 14.916 -8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.993 15.055 -8.294 1.00 0.00 H new ATOM 800 N ALA A 53 3.592 12.400 -7.072 1.00 0.00 N ATOM 801 CA ALA A 53 3.763 10.953 -7.079 1.00 0.00 C ATOM 802 C ALA A 53 2.463 10.259 -7.446 1.00 0.00 C ATOM 803 O ALA A 53 2.456 9.074 -7.774 1.00 0.00 O ATOM 804 CB ALA A 53 4.264 10.467 -5.727 1.00 0.00 C ATOM 0 H ALA A 53 3.779 12.843 -6.172 1.00 0.00 H new ATOM 0 HA ALA A 53 4.509 10.702 -7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.386 9.384 -5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.223 10.935 -5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.543 10.734 -4.954 1.00 0.00 H new ATOM 810 N CYS A 54 1.366 11.005 -7.389 1.00 0.00 N ATOM 811 CA CYS A 54 0.061 10.466 -7.720 1.00 0.00 C ATOM 812 C CYS A 54 -0.392 10.988 -9.082 1.00 0.00 C ATOM 813 O CYS A 54 -1.077 10.293 -9.838 1.00 0.00 O ATOM 814 CB CYS A 54 -0.958 10.846 -6.640 1.00 0.00 C ATOM 815 SG CYS A 54 -0.235 11.080 -4.979 1.00 0.00 S ATOM 0 H CYS A 54 1.359 11.988 -7.115 1.00 0.00 H new ATOM 0 HA CYS A 54 0.131 9.379 -7.766 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.461 11.766 -6.938 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.721 10.069 -6.586 1.00 0.00 H new ATOM 820 N LYS A 55 0.006 12.219 -9.385 1.00 0.00 N ATOM 821 CA LYS A 55 -0.348 12.848 -10.650 1.00 0.00 C ATOM 822 C LYS A 55 0.180 12.036 -11.826 1.00 0.00 C ATOM 823 O LYS A 55 -0.558 11.743 -12.768 1.00 0.00 O ATOM 824 CB LYS A 55 0.204 14.275 -10.706 1.00 0.00 C ATOM 825 CG LYS A 55 -0.860 15.326 -10.983 1.00 0.00 C ATOM 826 CD LYS A 55 -0.300 16.733 -10.848 1.00 0.00 C ATOM 827 CE LYS A 55 -1.401 17.746 -10.581 1.00 0.00 C ATOM 828 NZ LYS A 55 -0.851 19.086 -10.236 1.00 0.00 N ATOM 0 H LYS A 55 0.575 12.801 -8.770 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.435 12.886 -10.719 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.693 14.505 -9.759 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.969 14.330 -11.481 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.258 15.186 -11.988 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.691 15.196 -10.290 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.426 16.761 -10.036 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.232 17.003 -11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.038 17.831 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.031 17.391 -9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.634 19.748 -10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.264 19.011 -9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.271 19.437 -11.025 1.00 0.00 H new ATOM 842 N ALA A 56 1.457 11.671 -11.771 1.00 0.00 N ATOM 843 CA ALA A 56 2.065 10.892 -12.838 1.00 0.00 C ATOM 844 C ALA A 56 1.403 9.524 -12.966 1.00 0.00 C ATOM 845 O ALA A 56 1.438 8.908 -14.030 1.00 0.00 O ATOM 846 CB ALA A 56 3.556 10.741 -12.593 1.00 0.00 C ATOM 0 H ALA A 56 2.086 11.902 -11.002 1.00 0.00 H new ATOM 0 HA ALA A 56 1.915 11.425 -13.777 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.000 10.156 -13.399 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.021 11.726 -12.561 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.719 10.232 -11.643 1.00 0.00 H new ATOM 852 N LEU A 57 0.808 9.049 -11.874 1.00 0.00 N ATOM 853 CA LEU A 57 0.148 7.748 -11.863 1.00 0.00 C ATOM 854 C LEU A 57 -1.109 7.743 -12.725 1.00 0.00 C ATOM 855 O LEU A 57 -1.471 6.725 -13.303 1.00 0.00 O ATOM 856 CB LEU A 57 -0.212 7.345 -10.434 1.00 0.00 C ATOM 857 CG LEU A 57 0.892 7.560 -9.403 1.00 0.00 C ATOM 858 CD1 LEU A 57 0.490 6.970 -8.059 1.00 0.00 C ATOM 859 CD2 LEU A 57 2.200 6.950 -9.883 1.00 0.00 C ATOM 0 H LEU A 57 0.770 9.547 -10.985 1.00 0.00 H new ATOM 0 HA LEU A 57 0.850 7.027 -12.281 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.092 7.909 -10.125 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.492 6.291 -10.430 1.00 0.00 H new ATOM 0 HG LEU A 57 1.039 8.633 -9.278 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.290 7.133 -7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.421 7.454 -7.707 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.313 5.900 -8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.975 7.114 -9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.067 5.879 -10.039 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.497 7.419 -10.821 1.00 0.00 H new ATOM 871 N LYS A 58 -1.791 8.870 -12.796 1.00 0.00 N ATOM 872 CA LYS A 58 -3.018 8.948 -13.583 1.00 0.00 C ATOM 873 C LYS A 58 -2.820 8.427 -15.018 1.00 0.00 C ATOM 874 O LYS A 58 -3.448 7.442 -15.417 1.00 0.00 O ATOM 875 CB LYS A 58 -3.549 10.384 -13.606 1.00 0.00 C ATOM 876 CG LYS A 58 -4.859 10.561 -12.854 1.00 0.00 C ATOM 877 CD LYS A 58 -5.392 11.979 -12.985 1.00 0.00 C ATOM 878 CE LYS A 58 -4.394 13.000 -12.459 1.00 0.00 C ATOM 879 NZ LYS A 58 -5.072 14.136 -11.775 1.00 0.00 N ATOM 0 H LYS A 58 -1.526 9.736 -12.327 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.753 8.303 -13.101 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.799 11.047 -13.174 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.689 10.694 -14.642 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.598 9.857 -13.238 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.710 10.324 -11.801 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.613 12.190 -14.031 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.330 12.069 -12.436 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.709 12.514 -11.764 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.793 13.380 -13.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.358 14.810 -11.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.707 14.616 -12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.625 13.777 -10.971 1.00 0.00 H new ATOM 893 N PRO A 59 -1.954 9.081 -15.821 1.00 0.00 N ATOM 894 CA PRO A 59 -1.708 8.690 -17.216 1.00 0.00 C ATOM 895 C PRO A 59 -0.769 7.496 -17.383 1.00 0.00 C ATOM 896 O PRO A 59 -0.775 6.844 -18.428 1.00 0.00 O ATOM 897 CB PRO A 59 -1.072 9.944 -17.842 1.00 0.00 C ATOM 898 CG PRO A 59 -1.045 10.984 -16.765 1.00 0.00 C ATOM 899 CD PRO A 59 -1.161 10.256 -15.458 1.00 0.00 C ATOM 0 HA PRO A 59 -2.638 8.366 -17.684 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.065 9.731 -18.202 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.651 10.287 -18.699 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.120 11.560 -16.806 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.866 11.690 -16.889 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.185 9.980 -15.059 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.656 10.861 -14.699 1.00 0.00 H new ATOM 907 N LYS A 60 0.041 7.210 -16.373 1.00 0.00 N ATOM 908 CA LYS A 60 0.978 6.092 -16.455 1.00 0.00 C ATOM 909 C LYS A 60 0.398 4.854 -15.788 1.00 0.00 C ATOM 910 O LYS A 60 0.390 3.771 -16.369 1.00 0.00 O ATOM 911 CB LYS A 60 2.317 6.457 -15.810 1.00 0.00 C ATOM 912 CG LYS A 60 2.300 6.346 -14.293 1.00 0.00 C ATOM 913 CD LYS A 60 3.446 7.100 -13.612 1.00 0.00 C ATOM 914 CE LYS A 60 4.199 8.026 -14.562 1.00 0.00 C ATOM 915 NZ LYS A 60 5.353 8.694 -13.898 1.00 0.00 N ATOM 0 H LYS A 60 0.071 7.729 -15.495 1.00 0.00 H new ATOM 0 HA LYS A 60 1.148 5.873 -17.509 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.094 5.804 -16.207 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.583 7.476 -16.091 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.351 6.730 -13.919 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.351 5.294 -14.013 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.047 7.685 -12.784 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.145 6.380 -13.186 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.556 7.453 -15.418 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.516 8.783 -14.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.411 9.683 -14.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.223 8.668 -12.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.232 8.198 -14.148 1.00 0.00 H new ATOM 929 N PHE A 61 -0.101 5.020 -14.567 1.00 0.00 N ATOM 930 CA PHE A 61 -0.689 3.914 -13.847 1.00 0.00 C ATOM 931 C PHE A 61 -1.936 3.451 -14.574 1.00 0.00 C ATOM 932 O PHE A 61 -2.344 2.303 -14.440 1.00 0.00 O ATOM 933 CB PHE A 61 -0.989 4.285 -12.400 1.00 0.00 C ATOM 934 CG PHE A 61 -1.168 3.086 -11.515 1.00 0.00 C ATOM 935 CD1 PHE A 61 -0.075 2.502 -10.894 1.00 0.00 C ATOM 936 CD2 PHE A 61 -2.423 2.538 -11.311 1.00 0.00 C ATOM 937 CE1 PHE A 61 -0.232 1.392 -10.085 1.00 0.00 C ATOM 938 CE2 PHE A 61 -2.584 1.428 -10.503 1.00 0.00 C ATOM 939 CZ PHE A 61 -1.489 0.856 -9.888 1.00 0.00 C ATOM 0 H PHE A 61 -0.107 5.907 -14.064 1.00 0.00 H new ATOM 0 HA PHE A 61 0.026 3.092 -13.814 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.176 4.899 -12.012 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.893 4.894 -12.366 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.910 2.919 -11.044 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.284 2.982 -11.788 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.627 0.945 -9.608 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.568 1.008 -10.353 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.615 -0.009 -9.254 1.00 0.00 H new ATOM 949 N ALA A 62 -2.503 4.325 -15.414 1.00 0.00 N ATOM 950 CA ALA A 62 -3.645 3.931 -16.218 1.00 0.00 C ATOM 951 C ALA A 62 -3.227 2.724 -17.064 1.00 0.00 C ATOM 952 O ALA A 62 -4.051 1.923 -17.504 1.00 0.00 O ATOM 953 CB ALA A 62 -4.106 5.085 -17.098 1.00 0.00 C ATOM 0 H ALA A 62 -2.192 5.287 -15.547 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.486 3.663 -15.578 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.963 4.769 -17.693 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.391 5.930 -16.471 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.294 5.384 -17.761 1.00 0.00 H new ATOM 959 N GLU A 63 -1.904 2.609 -17.236 1.00 0.00 N ATOM 960 CA GLU A 63 -1.267 1.524 -17.968 1.00 0.00 C ATOM 961 C GLU A 63 -1.340 0.233 -17.166 1.00 0.00 C ATOM 962 O GLU A 63 -1.082 -0.853 -17.687 1.00 0.00 O ATOM 963 CB GLU A 63 0.193 1.891 -18.246 1.00 0.00 C ATOM 964 CG GLU A 63 0.835 1.062 -19.346 1.00 0.00 C ATOM 965 CD GLU A 63 2.267 1.474 -19.628 1.00 0.00 C ATOM 966 OE1 GLU A 63 3.162 1.074 -18.853 1.00 0.00 O ATOM 967 OE2 GLU A 63 2.492 2.197 -20.620 1.00 0.00 O ATOM 0 H GLU A 63 -1.239 3.285 -16.860 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.788 1.372 -18.913 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.247 2.945 -18.519 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.769 1.770 -17.329 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.813 0.010 -19.062 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.247 1.159 -20.259 1.00 0.00 H new ATOM 974 N SER A 64 -1.691 0.367 -15.892 1.00 0.00 N ATOM 975 CA SER A 64 -1.808 -0.761 -14.984 1.00 0.00 C ATOM 976 C SER A 64 -2.731 -1.852 -15.521 1.00 0.00 C ATOM 977 O SER A 64 -2.962 -2.845 -14.839 1.00 0.00 O ATOM 978 CB SER A 64 -2.327 -0.282 -13.638 1.00 0.00 C ATOM 979 OG SER A 64 -1.313 0.379 -12.901 1.00 0.00 O ATOM 0 H SER A 64 -1.903 1.267 -15.461 1.00 0.00 H new ATOM 0 HA SER A 64 -0.813 -1.194 -14.879 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.168 0.394 -13.790 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.700 -1.132 -13.066 1.00 0.00 H new ATOM 0 HG SER A 64 -1.712 1.099 -12.369 1.00 0.00 H new ATOM 985 N THR A 65 -3.251 -1.689 -16.739 1.00 0.00 N ATOM 986 CA THR A 65 -4.116 -2.710 -17.322 1.00 0.00 C ATOM 987 C THR A 65 -3.472 -4.075 -17.121 1.00 0.00 C ATOM 988 O THR A 65 -4.139 -5.055 -16.796 1.00 0.00 O ATOM 989 CB THR A 65 -4.342 -2.445 -18.810 1.00 0.00 C ATOM 990 OG1 THR A 65 -3.202 -1.839 -19.391 1.00 0.00 O ATOM 991 CG2 THR A 65 -5.528 -1.548 -19.085 1.00 0.00 C ATOM 0 H THR A 65 -3.091 -0.874 -17.330 1.00 0.00 H new ATOM 0 HA THR A 65 -5.087 -2.684 -16.827 1.00 0.00 H new ATOM 0 HB THR A 65 -4.537 -3.423 -19.250 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.366 -1.679 -20.344 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.631 -1.401 -20.160 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.433 -2.012 -18.693 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.375 -0.584 -18.600 1.00 0.00 H new ATOM 999 N GLU A 66 -2.150 -4.105 -17.267 1.00 0.00 N ATOM 1000 CA GLU A 66 -1.385 -5.321 -17.055 1.00 0.00 C ATOM 1001 C GLU A 66 -1.164 -5.513 -15.568 1.00 0.00 C ATOM 1002 O GLU A 66 -1.097 -6.638 -15.080 1.00 0.00 O ATOM 1003 CB GLU A 66 -0.047 -5.266 -17.794 1.00 0.00 C ATOM 1004 CG GLU A 66 0.867 -4.161 -17.300 1.00 0.00 C ATOM 1005 CD GLU A 66 1.129 -3.101 -18.354 1.00 0.00 C ATOM 1006 OE1 GLU A 66 0.193 -2.778 -19.116 1.00 0.00 O ATOM 1007 OE2 GLU A 66 2.269 -2.596 -18.417 1.00 0.00 O ATOM 0 H GLU A 66 -1.589 -3.296 -17.532 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.945 -6.167 -17.454 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.461 -6.224 -17.684 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.234 -5.125 -18.859 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.422 -3.692 -16.422 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.816 -4.594 -16.983 1.00 0.00 H new ATOM 1014 N ILE A 67 -1.096 -4.403 -14.837 1.00 0.00 N ATOM 1015 CA ILE A 67 -0.937 -4.482 -13.400 1.00 0.00 C ATOM 1016 C ILE A 67 -2.237 -4.979 -12.772 1.00 0.00 C ATOM 1017 O ILE A 67 -2.261 -5.394 -11.613 1.00 0.00 O ATOM 1018 CB ILE A 67 -0.546 -3.123 -12.786 1.00 0.00 C ATOM 1019 CG1 ILE A 67 0.712 -2.577 -13.463 1.00 0.00 C ATOM 1020 CG2 ILE A 67 -0.327 -3.259 -11.285 1.00 0.00 C ATOM 1021 CD1 ILE A 67 1.087 -1.185 -13.008 1.00 0.00 C ATOM 0 H ILE A 67 -1.148 -3.457 -15.214 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.127 -5.181 -13.191 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.362 -2.420 -12.952 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.544 -3.252 -13.264 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.560 -2.569 -14.542 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.052 -2.290 -10.868 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.245 -3.609 -10.814 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.473 -3.975 -11.097 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.988 -0.862 -13.529 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.272 -0.497 -13.232 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.272 -1.191 -11.934 1.00 0.00 H new ATOM 1033 N SER A 68 -3.318 -4.953 -13.559 1.00 0.00 N ATOM 1034 CA SER A 68 -4.613 -5.420 -13.090 1.00 0.00 C ATOM 1035 C SER A 68 -4.545 -6.914 -12.801 1.00 0.00 C ATOM 1036 O SER A 68 -5.197 -7.413 -11.884 1.00 0.00 O ATOM 1037 CB SER A 68 -5.701 -5.127 -14.125 1.00 0.00 C ATOM 1038 OG SER A 68 -6.802 -4.463 -13.534 1.00 0.00 O ATOM 0 H SER A 68 -3.315 -4.613 -14.521 1.00 0.00 H new ATOM 0 HA SER A 68 -4.867 -4.889 -12.172 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.289 -4.513 -14.926 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.036 -6.060 -14.579 1.00 0.00 H new ATOM 0 HG SER A 68 -7.209 -3.858 -14.189 1.00 0.00 H new ATOM 1044 N GLU A 69 -3.721 -7.616 -13.575 1.00 0.00 N ATOM 1045 CA GLU A 69 -3.540 -9.048 -13.382 1.00 0.00 C ATOM 1046 C GLU A 69 -2.438 -9.281 -12.361 1.00 0.00 C ATOM 1047 O GLU A 69 -2.570 -10.119 -11.468 1.00 0.00 O ATOM 1048 CB GLU A 69 -3.216 -9.770 -14.696 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.386 -8.954 -15.669 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.202 -9.649 -17.004 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -1.244 -10.438 -17.134 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -3.014 -9.401 -17.919 1.00 0.00 O ATOM 0 H GLU A 69 -3.172 -7.217 -14.337 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.478 -9.463 -13.015 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.683 -10.693 -14.468 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.150 -10.053 -15.182 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.866 -7.988 -15.829 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.409 -8.755 -15.229 1.00 0.00 H new ATOM 1059 N LEU A 70 -1.364 -8.506 -12.479 1.00 0.00 N ATOM 1060 CA LEU A 70 -0.254 -8.606 -11.538 1.00 0.00 C ATOM 1061 C LEU A 70 -0.718 -8.225 -10.135 1.00 0.00 C ATOM 1062 O LEU A 70 -0.077 -8.561 -9.142 1.00 0.00 O ATOM 1063 CB LEU A 70 0.889 -7.680 -11.947 1.00 0.00 C ATOM 1064 CG LEU A 70 1.850 -8.246 -12.989 1.00 0.00 C ATOM 1065 CD1 LEU A 70 2.118 -7.210 -14.063 1.00 0.00 C ATOM 1066 CD2 LEU A 70 3.150 -8.685 -12.330 1.00 0.00 C ATOM 0 H LEU A 70 -1.239 -7.807 -13.211 1.00 0.00 H new ATOM 0 HA LEU A 70 0.099 -9.637 -11.545 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.463 -6.755 -12.335 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.459 -7.419 -11.055 1.00 0.00 H new ATOM 0 HG LEU A 70 1.392 -9.119 -13.454 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.805 -7.622 -14.803 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.181 -6.939 -14.549 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.562 -6.323 -13.610 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.824 -9.086 -13.087 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.618 -7.829 -11.844 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.940 -9.454 -11.587 1.00 0.00 H new ATOM 1078 N SER A 71 -1.840 -7.507 -10.071 1.00 0.00 N ATOM 1079 CA SER A 71 -2.408 -7.047 -8.803 1.00 0.00 C ATOM 1080 C SER A 71 -2.405 -8.133 -7.730 1.00 0.00 C ATOM 1081 O SER A 71 -2.488 -7.831 -6.542 1.00 0.00 O ATOM 1082 CB SER A 71 -3.838 -6.562 -9.012 1.00 0.00 C ATOM 1083 OG SER A 71 -3.951 -5.173 -8.753 1.00 0.00 O ATOM 0 H SER A 71 -2.378 -7.229 -10.892 1.00 0.00 H new ATOM 0 HA SER A 71 -1.775 -6.230 -8.456 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.150 -6.770 -10.036 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.511 -7.113 -8.355 1.00 0.00 H new ATOM 0 HG SER A 71 -4.661 -4.793 -9.312 1.00 0.00 H new ATOM 1089 N HIS A 72 -2.286 -9.393 -8.136 1.00 0.00 N ATOM 1090 CA HIS A 72 -2.249 -10.491 -7.179 1.00 0.00 C ATOM 1091 C HIS A 72 -1.121 -10.266 -6.176 1.00 0.00 C ATOM 1092 O HIS A 72 -1.061 -10.911 -5.129 1.00 0.00 O ATOM 1093 CB HIS A 72 -2.052 -11.825 -7.903 1.00 0.00 C ATOM 1094 CG HIS A 72 -0.915 -11.814 -8.877 1.00 0.00 C ATOM 1095 ND1 HIS A 72 0.385 -11.536 -8.514 1.00 0.00 N ATOM 1096 CD2 HIS A 72 -0.889 -12.051 -10.210 1.00 0.00 C ATOM 1097 CE1 HIS A 72 1.162 -11.601 -9.580 1.00 0.00 C ATOM 1098 NE2 HIS A 72 0.413 -11.913 -10.622 1.00 0.00 N ATOM 0 H HIS A 72 -2.214 -9.677 -9.113 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.199 -10.524 -6.646 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.880 -12.608 -7.165 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.970 -12.082 -8.431 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.735 -12.302 -10.833 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.228 -11.428 -9.597 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.748 -12.032 -11.578 1.00 0.00 H new ATOM 1107 N ASN A 73 -0.229 -9.340 -6.517 1.00 0.00 N ATOM 1108 CA ASN A 73 0.905 -9.004 -5.672 1.00 0.00 C ATOM 1109 C ASN A 73 0.454 -8.304 -4.389 1.00 0.00 C ATOM 1110 O ASN A 73 0.846 -8.691 -3.288 1.00 0.00 O ATOM 1111 CB ASN A 73 1.883 -8.109 -6.442 1.00 0.00 C ATOM 1112 CG ASN A 73 1.188 -7.055 -7.287 1.00 0.00 C ATOM 1113 OD1 ASN A 73 0.246 -6.404 -6.839 1.00 0.00 O ATOM 1114 ND2 ASN A 73 1.652 -6.879 -8.521 1.00 0.00 N ATOM 0 H ASN A 73 -0.274 -8.805 -7.384 1.00 0.00 H new ATOM 0 HA ASN A 73 1.405 -9.931 -5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.550 -7.617 -5.734 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.505 -8.731 -7.086 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.224 -6.184 -9.132 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.436 -7.439 -8.856 1.00 0.00 H new ATOM 1121 N PHE A 74 -0.363 -7.268 -4.542 1.00 0.00 N ATOM 1122 CA PHE A 74 -0.865 -6.500 -3.422 1.00 0.00 C ATOM 1123 C PHE A 74 -2.375 -6.313 -3.551 1.00 0.00 C ATOM 1124 O PHE A 74 -2.931 -6.523 -4.628 1.00 0.00 O ATOM 1125 CB PHE A 74 -0.138 -5.168 -3.381 1.00 0.00 C ATOM 1126 CG PHE A 74 1.245 -5.287 -2.810 1.00 0.00 C ATOM 1127 CD1 PHE A 74 1.433 -5.482 -1.450 1.00 0.00 C ATOM 1128 CD2 PHE A 74 2.358 -5.225 -3.634 1.00 0.00 C ATOM 1129 CE1 PHE A 74 2.705 -5.610 -0.924 1.00 0.00 C ATOM 1130 CE2 PHE A 74 3.631 -5.354 -3.114 1.00 0.00 C ATOM 1131 CZ PHE A 74 3.805 -5.546 -1.757 1.00 0.00 C ATOM 0 H PHE A 74 -0.693 -6.941 -5.450 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.681 -7.028 -2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.078 -4.759 -4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.715 -4.461 -2.785 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.576 -5.534 -0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 74 2.228 -5.074 -4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.839 -5.760 0.137 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.489 -5.305 -3.767 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.800 -5.646 -1.348 1.00 0.00 H new ATOM 1141 N VAL A 75 -3.056 -5.976 -2.457 1.00 0.00 N ATOM 1142 CA VAL A 75 -4.515 -5.845 -2.512 1.00 0.00 C ATOM 1143 C VAL A 75 -5.059 -4.447 -2.178 1.00 0.00 C ATOM 1144 O VAL A 75 -4.538 -3.730 -1.323 1.00 0.00 O ATOM 1145 CB VAL A 75 -5.181 -6.876 -1.582 1.00 0.00 C ATOM 1146 CG1 VAL A 75 -4.849 -6.582 -0.128 1.00 0.00 C ATOM 1147 CG2 VAL A 75 -6.686 -6.903 -1.799 1.00 0.00 C ATOM 0 H VAL A 75 -2.638 -5.793 -1.545 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.769 -6.028 -3.556 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.786 -7.862 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.329 -7.322 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.769 -6.625 0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.210 -5.587 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.137 -7.638 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.102 -5.918 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.900 -7.172 -2.833 1.00 0.00 H new ATOM 1157 N MET A 76 -6.132 -4.103 -2.895 1.00 0.00 N ATOM 1158 CA MET A 76 -6.854 -2.843 -2.789 1.00 0.00 C ATOM 1159 C MET A 76 -7.011 -2.251 -1.388 1.00 0.00 C ATOM 1160 O MET A 76 -8.033 -2.479 -0.730 1.00 0.00 O ATOM 1161 CB MET A 76 -8.250 -3.097 -3.310 1.00 0.00 C ATOM 1162 CG MET A 76 -8.943 -4.255 -2.609 1.00 0.00 C ATOM 1163 SD MET A 76 -8.987 -5.755 -3.609 1.00 0.00 S ATOM 1164 CE MET A 76 -10.485 -6.524 -3.001 1.00 0.00 C ATOM 0 H MET A 76 -6.535 -4.726 -3.595 1.00 0.00 H new ATOM 0 HA MET A 76 -6.260 -2.119 -3.347 1.00 0.00 H new ATOM 0 HB2 MET A 76 -8.848 -2.194 -3.187 1.00 0.00 H new ATOM 0 HB3 MET A 76 -8.201 -3.303 -4.379 1.00 0.00 H new ATOM 0 HG2 MET A 76 -8.430 -4.465 -1.671 1.00 0.00 H new ATOM 0 HG3 MET A 76 -9.962 -3.963 -2.356 1.00 0.00 H new ATOM 0 HE1 MET A 76 -10.227 -7.382 -2.381 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.049 -5.804 -2.408 1.00 0.00 H new ATOM 0 HE3 MET A 76 -11.092 -6.855 -3.844 1.00 0.00 H new ATOM 1174 N VAL A 77 -6.055 -1.416 -0.977 1.00 0.00 N ATOM 1175 CA VAL A 77 -6.149 -0.726 0.305 1.00 0.00 C ATOM 1176 C VAL A 77 -5.576 0.685 0.203 1.00 0.00 C ATOM 1177 O VAL A 77 -4.713 1.078 0.982 1.00 0.00 O ATOM 1178 CB VAL A 77 -5.451 -1.489 1.447 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.586 -0.733 2.763 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -6.031 -2.880 1.574 1.00 0.00 C ATOM 0 H VAL A 77 -5.213 -1.204 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.210 -0.674 0.548 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.390 -1.571 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.086 -1.290 3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.127 0.251 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.641 -0.619 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.530 -3.410 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.097 -2.811 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.884 -3.422 0.640 1.00 0.00 H new ATOM 1190 N ASN A 78 -6.070 1.444 -0.764 1.00 0.00 N ATOM 1191 CA ASN A 78 -5.610 2.808 -0.966 1.00 0.00 C ATOM 1192 C ASN A 78 -6.465 3.779 -0.160 1.00 0.00 C ATOM 1193 O ASN A 78 -7.606 4.070 -0.517 1.00 0.00 O ATOM 1194 CB ASN A 78 -5.627 3.161 -2.459 1.00 0.00 C ATOM 1195 CG ASN A 78 -6.126 4.566 -2.746 1.00 0.00 C ATOM 1196 OD1 ASN A 78 -7.104 4.760 -3.467 1.00 0.00 O ATOM 1197 ND2 ASN A 78 -5.453 5.553 -2.176 1.00 0.00 N ATOM 0 H ASN A 78 -6.789 1.138 -1.420 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.582 2.890 -0.613 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -4.619 3.053 -2.861 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.258 2.446 -2.986 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.740 6.520 -2.327 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.648 5.347 -1.585 1.00 0.00 H new ATOM 1204 N LEU A 79 -5.900 4.266 0.935 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.603 5.198 1.810 1.00 0.00 C ATOM 1206 C LEU A 79 -6.372 6.649 1.372 1.00 0.00 C ATOM 1207 O LEU A 79 -5.265 7.031 0.991 1.00 0.00 O ATOM 1208 CB LEU A 79 -6.158 4.978 3.266 1.00 0.00 C ATOM 1209 CG LEU A 79 -6.141 6.217 4.167 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -7.559 6.647 4.510 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -5.348 5.938 5.434 1.00 0.00 C ATOM 0 H LEU A 79 -4.955 4.032 1.241 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.674 5.007 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.818 4.237 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.156 4.549 3.256 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.657 7.031 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.527 7.528 5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.099 6.884 3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.068 5.837 5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.345 6.827 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.807 5.111 5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.323 5.676 5.171 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.431 7.450 1.426 1.00 0.00 N ATOM 1224 CA GLU A 80 -7.348 8.854 1.035 1.00 0.00 C ATOM 1225 C GLU A 80 -7.323 9.761 2.260 1.00 0.00 C ATOM 1226 O GLU A 80 -7.274 9.287 3.395 1.00 0.00 O ATOM 1227 CB GLU A 80 -8.529 9.223 0.134 1.00 0.00 C ATOM 1228 CG GLU A 80 -8.166 10.208 -0.967 1.00 0.00 C ATOM 1229 CD GLU A 80 -8.107 9.555 -2.334 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -9.167 9.445 -2.985 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -7.001 9.156 -2.755 1.00 0.00 O ATOM 0 H GLU A 80 -8.356 7.152 1.736 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.419 8.998 0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.928 8.315 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.323 9.650 0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.899 11.015 -0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.200 10.660 -0.742 1.00 0.00 H new ATOM 1238 N ASP A 81 -7.356 11.068 2.021 1.00 0.00 N ATOM 1239 CA ASP A 81 -7.336 12.044 3.105 1.00 0.00 C ATOM 1240 C ASP A 81 -8.574 11.914 3.991 1.00 0.00 C ATOM 1241 O ASP A 81 -8.575 12.363 5.137 1.00 0.00 O ATOM 1242 CB ASP A 81 -7.248 13.462 2.538 1.00 0.00 C ATOM 1243 CG ASP A 81 -8.402 13.786 1.609 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -9.468 14.203 2.108 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -8.240 13.619 0.381 1.00 0.00 O ATOM 0 H ASP A 81 -7.397 11.476 1.087 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.457 11.846 3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.234 14.179 3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.308 13.577 1.999 1.00 0.00 H new ATOM 1250 N GLU A 82 -9.626 11.298 3.455 1.00 0.00 N ATOM 1251 CA GLU A 82 -10.867 11.114 4.201 1.00 0.00 C ATOM 1252 C GLU A 82 -10.601 10.490 5.568 1.00 0.00 C ATOM 1253 O GLU A 82 -11.327 10.743 6.529 1.00 0.00 O ATOM 1254 CB GLU A 82 -11.836 10.233 3.408 1.00 0.00 C ATOM 1255 CG GLU A 82 -13.298 10.584 3.630 1.00 0.00 C ATOM 1256 CD GLU A 82 -14.015 9.573 4.503 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -13.879 9.656 5.741 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -14.714 8.700 3.948 1.00 0.00 O ATOM 0 H GLU A 82 -9.643 10.919 2.508 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.315 12.096 4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -11.607 10.320 2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.675 9.191 3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -13.365 11.569 4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.803 10.649 2.666 1.00 0.00 H new ATOM 1265 N GLU A 83 -9.554 9.676 5.648 1.00 0.00 N ATOM 1266 CA GLU A 83 -9.189 9.019 6.897 1.00 0.00 C ATOM 1267 C GLU A 83 -7.759 9.368 7.295 1.00 0.00 C ATOM 1268 O GLU A 83 -6.831 9.227 6.499 1.00 0.00 O ATOM 1269 CB GLU A 83 -9.345 7.500 6.765 1.00 0.00 C ATOM 1270 CG GLU A 83 -10.311 6.898 7.771 1.00 0.00 C ATOM 1271 CD GLU A 83 -10.691 5.471 7.431 1.00 0.00 C ATOM 1272 OE1 GLU A 83 -9.906 4.555 7.755 1.00 0.00 O ATOM 1273 OE2 GLU A 83 -11.772 5.268 6.841 1.00 0.00 O ATOM 0 H GLU A 83 -8.943 9.455 4.862 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.860 9.376 7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.689 7.265 5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.369 7.031 6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.860 6.924 8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.212 7.510 7.815 1.00 0.00 H new ATOM 1280 N GLU A 84 -7.588 9.826 8.531 1.00 0.00 N ATOM 1281 CA GLU A 84 -6.271 10.197 9.034 1.00 0.00 C ATOM 1282 C GLU A 84 -5.815 9.238 10.132 1.00 0.00 C ATOM 1283 O GLU A 84 -6.097 9.455 11.311 1.00 0.00 O ATOM 1284 CB GLU A 84 -6.292 11.630 9.569 1.00 0.00 C ATOM 1285 CG GLU A 84 -5.888 12.672 8.538 1.00 0.00 C ATOM 1286 CD GLU A 84 -5.355 13.942 9.171 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -5.881 14.344 10.230 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -4.410 14.534 8.607 1.00 0.00 O ATOM 0 H GLU A 84 -8.346 9.949 9.203 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.564 10.135 8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.294 11.859 9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.621 11.699 10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.127 12.251 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.749 12.914 7.915 1.00 0.00 H new ATOM 1295 N PRO A 85 -5.102 8.161 9.759 1.00 0.00 N ATOM 1296 CA PRO A 85 -4.608 7.171 10.722 1.00 0.00 C ATOM 1297 C PRO A 85 -3.857 7.817 11.882 1.00 0.00 C ATOM 1298 O PRO A 85 -3.781 7.255 12.974 1.00 0.00 O ATOM 1299 CB PRO A 85 -3.663 6.305 9.889 1.00 0.00 C ATOM 1300 CG PRO A 85 -4.168 6.430 8.493 1.00 0.00 C ATOM 1301 CD PRO A 85 -4.718 7.824 8.374 1.00 0.00 C ATOM 0 HA PRO A 85 -5.421 6.612 11.185 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.633 6.652 9.970 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.677 5.268 10.224 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.367 6.264 7.772 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.940 5.688 8.289 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.973 8.518 7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.573 7.862 7.700 1.00 0.00 H new ATOM 1309 N LYS A 86 -3.303 9.001 11.637 1.00 0.00 N ATOM 1310 CA LYS A 86 -2.558 9.723 12.661 1.00 0.00 C ATOM 1311 C LYS A 86 -1.369 8.900 13.150 1.00 0.00 C ATOM 1312 O LYS A 86 -0.944 9.027 14.298 1.00 0.00 O ATOM 1313 CB LYS A 86 -3.473 10.070 13.837 1.00 0.00 C ATOM 1314 CG LYS A 86 -4.058 11.472 13.757 1.00 0.00 C ATOM 1315 CD LYS A 86 -5.579 11.446 13.789 1.00 0.00 C ATOM 1316 CE LYS A 86 -6.138 12.627 14.566 1.00 0.00 C ATOM 1317 NZ LYS A 86 -7.480 12.329 15.139 1.00 0.00 N ATOM 0 H LYS A 86 -3.356 9.480 10.738 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.181 10.645 12.220 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.287 9.347 13.879 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.911 9.972 14.766 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.686 12.070 14.589 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.721 11.956 12.840 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.966 11.463 12.770 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.919 10.516 14.244 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.451 12.891 15.370 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.208 13.494 13.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.827 13.159 15.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.143 12.102 14.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.409 11.518 15.786 1.00 0.00 H new ATOM 1331 N ASP A 87 -0.837 8.057 12.272 1.00 0.00 N ATOM 1332 CA ASP A 87 0.300 7.215 12.618 1.00 0.00 C ATOM 1333 C ASP A 87 1.224 7.017 11.421 1.00 0.00 C ATOM 1334 O ASP A 87 1.058 7.652 10.380 1.00 0.00 O ATOM 1335 CB ASP A 87 -0.181 5.858 13.135 1.00 0.00 C ATOM 1336 CG ASP A 87 0.649 5.357 14.301 1.00 0.00 C ATOM 1337 OD1 ASP A 87 0.338 5.726 15.453 1.00 0.00 O ATOM 1338 OD2 ASP A 87 1.610 4.596 14.061 1.00 0.00 O ATOM 0 H ASP A 87 -1.175 7.939 11.317 1.00 0.00 H new ATOM 0 HA ASP A 87 0.862 7.719 13.404 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.224 5.938 13.443 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.143 5.129 12.325 1.00 0.00 H new ATOM 1343 N GLU A 88 2.198 6.131 11.579 1.00 0.00 N ATOM 1344 CA GLU A 88 3.156 5.841 10.518 1.00 0.00 C ATOM 1345 C GLU A 88 2.488 5.126 9.342 1.00 0.00 C ATOM 1346 O GLU A 88 3.064 5.024 8.260 1.00 0.00 O ATOM 1347 CB GLU A 88 4.301 4.990 11.065 1.00 0.00 C ATOM 1348 CG GLU A 88 4.927 5.550 12.331 1.00 0.00 C ATOM 1349 CD GLU A 88 5.697 6.832 12.083 1.00 0.00 C ATOM 1350 OE1 GLU A 88 5.052 7.877 11.852 1.00 0.00 O ATOM 1351 OE2 GLU A 88 6.945 6.793 12.119 1.00 0.00 O ATOM 0 H GLU A 88 2.347 5.598 12.436 1.00 0.00 H new ATOM 0 HA GLU A 88 3.551 6.789 10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.931 3.985 11.267 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.071 4.898 10.299 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.145 5.737 13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.597 4.805 12.761 1.00 0.00 H new ATOM 1358 N ASP A 89 1.277 4.621 9.563 1.00 0.00 N ATOM 1359 CA ASP A 89 0.535 3.903 8.528 1.00 0.00 C ATOM 1360 C ASP A 89 0.382 4.719 7.238 1.00 0.00 C ATOM 1361 O ASP A 89 0.012 4.168 6.202 1.00 0.00 O ATOM 1362 CB ASP A 89 -0.841 3.483 9.051 1.00 0.00 C ATOM 1363 CG ASP A 89 -0.787 2.187 9.846 1.00 0.00 C ATOM 1364 OD1 ASP A 89 -0.646 1.107 9.225 1.00 0.00 O ATOM 1365 OD2 ASP A 89 -0.882 2.252 11.089 1.00 0.00 O ATOM 0 H ASP A 89 0.786 4.696 10.454 1.00 0.00 H new ATOM 0 HA ASP A 89 1.117 3.015 8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.245 4.276 9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.525 3.363 8.211 1.00 0.00 H new ATOM 1370 N PHE A 90 0.653 6.027 7.292 1.00 0.00 N ATOM 1371 CA PHE A 90 0.528 6.872 6.099 1.00 0.00 C ATOM 1372 C PHE A 90 1.894 7.352 5.602 1.00 0.00 C ATOM 1373 O PHE A 90 2.067 7.645 4.410 1.00 0.00 O ATOM 1374 CB PHE A 90 -0.389 8.071 6.370 1.00 0.00 C ATOM 1375 CG PHE A 90 0.006 8.897 7.565 1.00 0.00 C ATOM 1376 CD1 PHE A 90 1.213 9.577 7.591 1.00 0.00 C ATOM 1377 CD2 PHE A 90 -0.838 8.996 8.659 1.00 0.00 C ATOM 1378 CE1 PHE A 90 1.570 10.342 8.686 1.00 0.00 C ATOM 1379 CE2 PHE A 90 -0.487 9.759 9.757 1.00 0.00 C ATOM 1380 CZ PHE A 90 0.719 10.432 9.770 1.00 0.00 C ATOM 0 H PHE A 90 0.955 6.518 8.134 1.00 0.00 H new ATOM 0 HA PHE A 90 0.081 6.260 5.316 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.400 8.712 5.488 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.407 7.709 6.514 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.883 9.509 6.746 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.782 8.471 8.654 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.513 10.868 8.694 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.155 9.829 10.603 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.996 11.028 10.627 1.00 0.00 H new ATOM 1390 N SER A 91 2.860 7.426 6.515 1.00 0.00 N ATOM 1391 CA SER A 91 4.212 7.863 6.177 1.00 0.00 C ATOM 1392 C SER A 91 5.186 7.543 7.310 1.00 0.00 C ATOM 1393 O SER A 91 5.497 8.404 8.132 1.00 0.00 O ATOM 1394 CB SER A 91 4.235 9.366 5.883 1.00 0.00 C ATOM 1395 OG SER A 91 3.208 9.727 4.977 1.00 0.00 O ATOM 0 H SER A 91 2.730 7.188 7.498 1.00 0.00 H new ATOM 0 HA SER A 91 4.525 7.322 5.284 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.116 9.923 6.812 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.204 9.643 5.468 1.00 0.00 H new ATOM 0 HG SER A 91 3.091 9.015 4.314 1.00 0.00 H new ATOM 1401 N PRO A 92 5.681 6.293 7.370 1.00 0.00 N ATOM 1402 CA PRO A 92 6.619 5.873 8.410 1.00 0.00 C ATOM 1403 C PRO A 92 8.021 6.434 8.190 1.00 0.00 C ATOM 1404 O PRO A 92 8.450 7.348 8.895 1.00 0.00 O ATOM 1405 CB PRO A 92 6.623 4.345 8.307 1.00 0.00 C ATOM 1406 CG PRO A 92 6.155 4.026 6.926 1.00 0.00 C ATOM 1407 CD PRO A 92 5.360 5.207 6.429 1.00 0.00 C ATOM 0 HA PRO A 92 6.321 6.238 9.393 1.00 0.00 H new ATOM 0 HB2 PRO A 92 7.621 3.944 8.483 1.00 0.00 H new ATOM 0 HB3 PRO A 92 5.965 3.902 9.054 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.003 3.832 6.270 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.541 3.125 6.928 1.00 0.00 H new ATOM 0 HD2 PRO A 92 5.638 5.471 5.409 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.292 4.991 6.422 1.00 0.00 H new ATOM 1415 N ASP A 93 8.733 5.887 7.210 1.00 0.00 N ATOM 1416 CA ASP A 93 10.083 6.339 6.902 1.00 0.00 C ATOM 1417 C ASP A 93 10.055 7.493 5.905 1.00 0.00 C ATOM 1418 O ASP A 93 10.722 7.453 4.870 1.00 0.00 O ATOM 1419 CB ASP A 93 10.915 5.183 6.342 1.00 0.00 C ATOM 1420 CG ASP A 93 12.383 5.293 6.714 1.00 0.00 C ATOM 1421 OD1 ASP A 93 12.863 6.431 6.898 1.00 0.00 O ATOM 1422 OD2 ASP A 93 13.048 4.243 6.821 1.00 0.00 O ATOM 0 H ASP A 93 8.396 5.130 6.616 1.00 0.00 H new ATOM 0 HA ASP A 93 10.542 6.692 7.825 1.00 0.00 H new ATOM 0 HB2 ASP A 93 10.518 4.239 6.715 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.819 5.162 5.256 1.00 0.00 H new ATOM 1427 N GLY A 94 9.277 8.523 6.223 1.00 0.00 N ATOM 1428 CA GLY A 94 9.174 9.674 5.348 1.00 0.00 C ATOM 1429 C GLY A 94 8.360 10.796 5.965 1.00 0.00 C ATOM 1430 O GLY A 94 7.606 10.576 6.913 1.00 0.00 O ATOM 0 H GLY A 94 8.716 8.580 7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.174 10.040 5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.716 9.372 4.406 1.00 0.00 H new ATOM 1434 N GLY A 95 8.515 12.001 5.428 1.00 0.00 N ATOM 1435 CA GLY A 95 7.783 13.143 5.946 1.00 0.00 C ATOM 1436 C GLY A 95 6.672 13.596 5.018 1.00 0.00 C ATOM 1437 O GLY A 95 5.793 14.360 5.420 1.00 0.00 O ATOM 0 H GLY A 95 9.134 12.208 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.358 12.887 6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.475 13.970 6.108 1.00 0.00 H new ATOM 1441 N TYR A 96 6.709 13.131 3.771 1.00 0.00 N ATOM 1442 CA TYR A 96 5.693 13.500 2.784 1.00 0.00 C ATOM 1443 C TYR A 96 4.289 13.236 3.325 1.00 0.00 C ATOM 1444 O TYR A 96 4.126 12.790 4.460 1.00 0.00 O ATOM 1445 CB TYR A 96 5.899 12.757 1.455 1.00 0.00 C ATOM 1446 CG TYR A 96 6.617 11.427 1.572 1.00 0.00 C ATOM 1447 CD1 TYR A 96 8.006 11.362 1.573 1.00 0.00 C ATOM 1448 CD2 TYR A 96 5.907 10.238 1.670 1.00 0.00 C ATOM 1449 CE1 TYR A 96 8.664 10.153 1.672 1.00 0.00 C ATOM 1450 CE2 TYR A 96 6.558 9.022 1.770 1.00 0.00 C ATOM 1451 CZ TYR A 96 7.937 8.986 1.772 1.00 0.00 C ATOM 1452 OH TYR A 96 8.592 7.784 1.875 1.00 0.00 O ATOM 0 H TYR A 96 7.429 12.500 3.419 1.00 0.00 H new ATOM 0 HA TYR A 96 5.800 14.568 2.592 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.925 12.588 0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.464 13.400 0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.580 12.274 1.495 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.827 10.263 1.668 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.744 10.121 1.671 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.990 8.106 1.846 1.00 0.00 H new ATOM 0 HH TYR A 96 9.444 7.833 1.393 1.00 0.00 H new ATOM 1462 N ILE A 97 3.274 13.531 2.515 1.00 0.00 N ATOM 1463 CA ILE A 97 1.888 13.338 2.938 1.00 0.00 C ATOM 1464 C ILE A 97 0.951 13.067 1.726 1.00 0.00 C ATOM 1465 O ILE A 97 0.282 14.061 1.435 1.00 0.00 O ATOM 1466 CB ILE A 97 1.375 14.580 3.691 1.00 0.00 C ATOM 1467 CG1 ILE A 97 1.963 15.848 3.072 1.00 0.00 C ATOM 1468 CG2 ILE A 97 1.727 14.488 5.163 1.00 0.00 C ATOM 1469 CD1 ILE A 97 0.951 16.955 2.893 1.00 0.00 C ATOM 0 H ILE A 97 3.383 13.901 1.571 1.00 0.00 H new ATOM 0 HA ILE A 97 1.874 12.470 3.597 1.00 0.00 H new ATOM 0 HB ILE A 97 0.289 14.623 3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.776 16.208 3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.397 15.602 2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.358 15.373 5.681 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.267 13.598 5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.810 14.427 5.275 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.437 17.824 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.150 16.613 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.535 17.228 3.863 1.00 0.00 H new ATOM 1481 N PRO A 98 0.261 11.897 1.824 1.00 0.00 N ATOM 1482 CA PRO A 98 0.588 10.465 2.125 1.00 0.00 C ATOM 1483 C PRO A 98 1.078 9.773 0.866 1.00 0.00 C ATOM 1484 O PRO A 98 0.706 10.171 -0.243 1.00 0.00 O ATOM 1485 CB PRO A 98 -0.728 9.861 2.585 1.00 0.00 C ATOM 1486 CG PRO A 98 -1.115 10.894 3.505 1.00 0.00 C ATOM 1487 CD PRO A 98 0.042 11.833 3.343 1.00 0.00 C ATOM 0 HA PRO A 98 1.373 10.360 2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.441 9.727 1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -0.605 8.890 3.064 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.066 11.355 3.238 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -1.214 10.527 4.527 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.182 12.817 3.755 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.929 11.466 3.859 1.00 0.00 H new ATOM 1495 N ARG A 99 1.934 8.766 1.038 1.00 0.00 N ATOM 1496 CA ARG A 99 2.509 8.050 -0.098 1.00 0.00 C ATOM 1497 C ARG A 99 2.126 6.571 -0.101 1.00 0.00 C ATOM 1498 O ARG A 99 1.253 6.141 0.653 1.00 0.00 O ATOM 1499 CB ARG A 99 4.026 8.202 -0.080 1.00 0.00 C ATOM 1500 CG ARG A 99 4.546 9.231 -1.070 1.00 0.00 C ATOM 1501 CD ARG A 99 3.928 10.603 -0.844 1.00 0.00 C ATOM 1502 NE ARG A 99 3.946 11.416 -2.056 1.00 0.00 N ATOM 1503 CZ ARG A 99 3.724 12.728 -2.072 1.00 0.00 C ATOM 1504 NH1 ARG A 99 3.422 13.371 -0.949 1.00 0.00 N ATOM 1505 NH2 ARG A 99 3.795 13.401 -3.211 1.00 0.00 N ATOM 0 H ARG A 99 2.243 8.429 1.950 1.00 0.00 H new ATOM 0 HA ARG A 99 2.103 8.488 -1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.343 8.484 0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.482 7.237 -0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.630 9.303 -0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.330 8.899 -2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.900 10.486 -0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.471 11.120 -0.053 1.00 0.00 H new ATOM 0 HE ARG A 99 4.140 10.951 -2.943 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.359 12.859 -0.069 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.253 14.377 -0.967 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.020 12.914 -4.078 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.624 14.407 -3.221 1.00 0.00 H new ATOM 1519 N ILE A 100 2.787 5.798 -0.965 1.00 0.00 N ATOM 1520 CA ILE A 100 2.517 4.367 -1.077 1.00 0.00 C ATOM 1521 C ILE A 100 3.161 3.601 0.074 1.00 0.00 C ATOM 1522 O ILE A 100 4.262 3.932 0.498 1.00 0.00 O ATOM 1523 CB ILE A 100 3.015 3.800 -2.429 1.00 0.00 C ATOM 1524 CG1 ILE A 100 4.547 3.734 -2.476 1.00 0.00 C ATOM 1525 CG2 ILE A 100 2.488 4.643 -3.583 1.00 0.00 C ATOM 1526 CD1 ILE A 100 5.084 2.335 -2.687 1.00 0.00 C ATOM 0 H ILE A 100 3.512 6.140 -1.596 1.00 0.00 H new ATOM 0 HA ILE A 100 1.436 4.237 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 100 2.632 2.784 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.906 4.378 -3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.949 4.132 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.846 4.232 -4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.398 4.632 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.842 5.668 -3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.173 2.363 -2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.755 1.692 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.711 1.941 -3.632 1.00 0.00 H new ATOM 1538 N LEU A 101 2.463 2.593 0.595 1.00 0.00 N ATOM 1539 CA LEU A 101 2.980 1.812 1.715 1.00 0.00 C ATOM 1540 C LEU A 101 2.701 0.319 1.557 1.00 0.00 C ATOM 1541 O LEU A 101 1.588 -0.083 1.202 1.00 0.00 O ATOM 1542 CB LEU A 101 2.326 2.280 3.011 1.00 0.00 C ATOM 1543 CG LEU A 101 3.048 3.377 3.776 1.00 0.00 C ATOM 1544 CD1 LEU A 101 3.148 4.645 2.945 1.00 0.00 C ATOM 1545 CD2 LEU A 101 2.319 3.645 5.081 1.00 0.00 C ATOM 0 H LEU A 101 1.545 2.300 0.262 1.00 0.00 H new ATOM 0 HA LEU A 101 4.059 1.964 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.321 2.631 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.219 1.418 3.670 1.00 0.00 H new ATOM 0 HG LEU A 101 4.064 3.047 3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.669 5.414 3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.700 4.437 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.147 4.995 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.835 4.432 5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.298 3.961 4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.300 2.735 5.681 1.00 0.00 H new ATOM 1557 N PHE A 102 3.699 -0.503 1.870 1.00 0.00 N ATOM 1558 CA PHE A 102 3.529 -1.945 1.811 1.00 0.00 C ATOM 1559 C PHE A 102 3.417 -2.494 3.237 1.00 0.00 C ATOM 1560 O PHE A 102 4.155 -2.067 4.140 1.00 0.00 O ATOM 1561 CB PHE A 102 4.696 -2.585 1.063 1.00 0.00 C ATOM 1562 CG PHE A 102 4.765 -2.197 -0.390 1.00 0.00 C ATOM 1563 CD1 PHE A 102 3.788 -2.611 -1.281 1.00 0.00 C ATOM 1564 CD2 PHE A 102 5.809 -1.420 -0.867 1.00 0.00 C ATOM 1565 CE1 PHE A 102 3.852 -2.259 -2.617 1.00 0.00 C ATOM 1566 CE2 PHE A 102 5.880 -1.066 -2.200 1.00 0.00 C ATOM 1567 CZ PHE A 102 4.899 -1.486 -3.076 1.00 0.00 C ATOM 0 H PHE A 102 4.626 -0.195 2.164 1.00 0.00 H new ATOM 0 HA PHE A 102 2.616 -2.188 1.267 1.00 0.00 H new ATOM 0 HB2 PHE A 102 5.629 -2.302 1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 102 4.614 -3.669 1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.966 -3.216 -0.928 1.00 0.00 H new ATOM 0 HD2 PHE A 102 6.578 -1.087 -0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.083 -2.589 -3.300 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.701 -0.462 -2.556 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.951 -1.210 -4.119 1.00 0.00 H new ATOM 1577 N LEU A 103 2.472 -3.402 3.469 1.00 0.00 N ATOM 1578 CA LEU A 103 2.291 -3.931 4.816 1.00 0.00 C ATOM 1579 C LEU A 103 1.862 -5.395 4.831 1.00 0.00 C ATOM 1580 O LEU A 103 1.571 -5.989 3.793 1.00 0.00 O ATOM 1581 CB LEU A 103 1.269 -3.078 5.566 1.00 0.00 C ATOM 1582 CG LEU A 103 -0.188 -3.329 5.197 1.00 0.00 C ATOM 1583 CD1 LEU A 103 -1.106 -2.365 5.922 1.00 0.00 C ATOM 1584 CD2 LEU A 103 -0.369 -3.206 3.698 1.00 0.00 C ATOM 0 H LEU A 103 1.837 -3.777 2.764 1.00 0.00 H new ATOM 0 HA LEU A 103 3.260 -3.886 5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.391 -3.252 6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.496 -2.027 5.386 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.453 -4.340 5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.140 -2.566 5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.991 -2.493 6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.848 -1.342 5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.413 -3.387 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.085 -2.203 3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.261 -3.939 3.194 1.00 0.00 H new ATOM 1596 N ASP A 104 1.829 -5.961 6.038 1.00 0.00 N ATOM 1597 CA ASP A 104 1.440 -7.352 6.236 1.00 0.00 C ATOM 1598 C ASP A 104 -0.057 -7.536 5.997 1.00 0.00 C ATOM 1599 O ASP A 104 -0.862 -6.672 6.369 1.00 0.00 O ATOM 1600 CB ASP A 104 1.806 -7.795 7.657 1.00 0.00 C ATOM 1601 CG ASP A 104 1.382 -9.222 7.953 1.00 0.00 C ATOM 1602 OD1 ASP A 104 2.173 -10.146 7.666 1.00 0.00 O ATOM 1603 OD2 ASP A 104 0.264 -9.415 8.472 1.00 0.00 O ATOM 0 H ASP A 104 2.070 -5.470 6.899 1.00 0.00 H new ATOM 0 HA ASP A 104 1.978 -7.969 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 104 2.883 -7.704 7.795 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.335 -7.124 8.375 1.00 0.00 H new ATOM 1608 N PRO A 105 -0.450 -8.669 5.375 1.00 0.00 N ATOM 1609 CA PRO A 105 -1.856 -8.968 5.084 1.00 0.00 C ATOM 1610 C PRO A 105 -2.718 -8.959 6.338 1.00 0.00 C ATOM 1611 O PRO A 105 -2.870 -9.977 7.014 1.00 0.00 O ATOM 1612 CB PRO A 105 -1.828 -10.369 4.458 1.00 0.00 C ATOM 1613 CG PRO A 105 -0.474 -10.922 4.758 1.00 0.00 C ATOM 1614 CD PRO A 105 0.446 -9.743 4.911 1.00 0.00 C ATOM 0 HA PRO A 105 -2.295 -8.217 4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.610 -11.001 4.879 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.001 -10.320 3.383 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.493 -11.520 5.669 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.136 -11.576 3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.240 -9.943 5.631 1.00 0.00 H new ATOM 0 HD3 PRO A 105 0.928 -9.485 3.968 1.00 0.00 H new ATOM 1622 N SER A 106 -3.279 -7.793 6.640 1.00 0.00 N ATOM 1623 CA SER A 106 -4.133 -7.611 7.810 1.00 0.00 C ATOM 1624 C SER A 106 -4.307 -6.125 8.105 1.00 0.00 C ATOM 1625 O SER A 106 -5.322 -5.702 8.658 1.00 0.00 O ATOM 1626 CB SER A 106 -3.541 -8.315 9.035 1.00 0.00 C ATOM 1627 OG SER A 106 -2.131 -8.181 9.067 1.00 0.00 O ATOM 0 H SER A 106 -3.155 -6.948 6.082 1.00 0.00 H new ATOM 0 HA SER A 106 -5.105 -8.053 7.593 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.970 -7.893 9.944 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.809 -9.371 9.016 1.00 0.00 H new ATOM 0 HG SER A 106 -1.716 -9.030 8.806 1.00 0.00 H new ATOM 1633 N GLY A 107 -3.300 -5.339 7.730 1.00 0.00 N ATOM 1634 CA GLY A 107 -3.347 -3.910 7.958 1.00 0.00 C ATOM 1635 C GLY A 107 -2.270 -3.454 8.920 1.00 0.00 C ATOM 1636 O GLY A 107 -2.517 -2.608 9.779 1.00 0.00 O ATOM 0 H GLY A 107 -2.452 -5.671 7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.230 -3.387 7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.326 -3.638 8.354 1.00 0.00 H new ATOM 1640 N LYS A 108 -1.072 -4.022 8.785 1.00 0.00 N ATOM 1641 CA LYS A 108 0.033 -3.663 9.671 1.00 0.00 C ATOM 1642 C LYS A 108 1.196 -3.039 8.904 1.00 0.00 C ATOM 1643 O LYS A 108 2.201 -3.700 8.638 1.00 0.00 O ATOM 1644 CB LYS A 108 0.514 -4.893 10.439 1.00 0.00 C ATOM 1645 CG LYS A 108 -0.299 -5.176 11.690 1.00 0.00 C ATOM 1646 CD LYS A 108 0.540 -5.859 12.760 1.00 0.00 C ATOM 1647 CE LYS A 108 -0.294 -6.203 13.983 1.00 0.00 C ATOM 1648 NZ LYS A 108 0.388 -7.196 14.859 1.00 0.00 N ATOM 0 H LYS A 108 -0.844 -4.723 8.080 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.339 -2.918 10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.472 -5.762 9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.559 -4.754 10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.701 -4.242 12.083 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.151 -5.807 11.436 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.983 -6.768 12.352 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.363 -5.206 13.051 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.496 -5.295 14.552 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.258 -6.601 13.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.282 -6.912 15.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.039 -8.134 14.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.399 -7.236 14.617 1.00 0.00 H new ATOM 1662 N VAL A 109 1.060 -1.758 8.559 1.00 0.00 N ATOM 1663 CA VAL A 109 2.093 -1.034 7.841 1.00 0.00 C ATOM 1664 C VAL A 109 3.440 -1.172 8.519 1.00 0.00 C ATOM 1665 O VAL A 109 3.583 -0.910 9.714 1.00 0.00 O ATOM 1666 CB VAL A 109 1.717 0.452 7.732 1.00 0.00 C ATOM 1667 CG1 VAL A 109 2.891 1.277 7.257 1.00 0.00 C ATOM 1668 CG2 VAL A 109 0.525 0.629 6.804 1.00 0.00 C ATOM 0 H VAL A 109 0.232 -1.201 8.771 1.00 0.00 H new ATOM 0 HA VAL A 109 2.170 -1.466 6.843 1.00 0.00 H new ATOM 0 HB VAL A 109 1.440 0.807 8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.596 2.324 7.189 1.00 0.00 H new ATOM 0 HG12 VAL A 109 3.715 1.177 7.963 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.209 0.925 6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.270 1.687 6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.777 0.253 5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.327 0.075 7.197 1.00 0.00 H new ATOM 1678 N HIS A 110 4.432 -1.573 7.739 1.00 0.00 N ATOM 1679 CA HIS A 110 5.775 -1.729 8.259 1.00 0.00 C ATOM 1680 C HIS A 110 6.770 -1.053 7.334 1.00 0.00 C ATOM 1681 O HIS A 110 6.716 -1.236 6.118 1.00 0.00 O ATOM 1682 CB HIS A 110 6.126 -3.211 8.421 1.00 0.00 C ATOM 1683 CG HIS A 110 5.763 -4.055 7.239 1.00 0.00 C ATOM 1684 ND1 HIS A 110 6.207 -4.028 5.959 1.00 0.00 N flip ATOM 1685 CD2 HIS A 110 4.845 -5.082 7.302 1.00 0.00 C flip ATOM 1686 CE1 HIS A 110 5.556 -5.030 5.282 1.00 0.00 C flip ATOM 1687 NE2 HIS A 110 4.742 -5.650 6.114 1.00 0.00 N flip ATOM 0 H HIS A 110 4.330 -1.795 6.749 1.00 0.00 H new ATOM 0 HA HIS A 110 5.823 -1.257 9.241 1.00 0.00 H new ATOM 0 HB2 HIS A 110 7.196 -3.302 8.605 1.00 0.00 H new ATOM 0 HB3 HIS A 110 5.617 -3.600 9.303 1.00 0.00 H new ATOM 0 HD1 HIS A 110 6.896 -3.384 5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 110 4.296 -5.376 8.185 1.00 0.00 H new ATOM 0 HE1 HIS A 110 5.689 -5.271 4.238 1.00 0.00 H new ATOM 1696 N PRO A 111 7.700 -0.259 7.885 1.00 0.00 N ATOM 1697 CA PRO A 111 8.706 0.432 7.080 1.00 0.00 C ATOM 1698 C PRO A 111 9.715 -0.544 6.486 1.00 0.00 C ATOM 1699 O PRO A 111 10.909 -0.252 6.412 1.00 0.00 O ATOM 1700 CB PRO A 111 9.384 1.369 8.080 1.00 0.00 C ATOM 1701 CG PRO A 111 9.175 0.724 9.407 1.00 0.00 C ATOM 1702 CD PRO A 111 7.849 0.023 9.325 1.00 0.00 C ATOM 0 HA PRO A 111 8.270 0.954 6.229 1.00 0.00 H new ATOM 0 HB2 PRO A 111 10.445 1.483 7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 111 8.943 2.365 8.050 1.00 0.00 H new ATOM 0 HG2 PRO A 111 9.976 0.018 9.628 1.00 0.00 H new ATOM 0 HG3 PRO A 111 9.175 1.466 10.205 1.00 0.00 H new ATOM 0 HD2 PRO A 111 7.841 -0.892 9.917 1.00 0.00 H new ATOM 0 HD3 PRO A 111 7.039 0.650 9.698 1.00 0.00 H new ATOM 1710 N GLU A 112 9.227 -1.710 6.067 1.00 0.00 N ATOM 1711 CA GLU A 112 10.087 -2.731 5.482 1.00 0.00 C ATOM 1712 C GLU A 112 10.102 -2.608 3.964 1.00 0.00 C ATOM 1713 O GLU A 112 11.159 -2.473 3.350 1.00 0.00 O ATOM 1714 CB GLU A 112 9.613 -4.127 5.895 1.00 0.00 C ATOM 1715 CG GLU A 112 10.568 -4.835 6.845 1.00 0.00 C ATOM 1716 CD GLU A 112 11.922 -5.102 6.218 1.00 0.00 C ATOM 1717 OE1 GLU A 112 12.777 -4.192 6.240 1.00 0.00 O ATOM 1718 OE2 GLU A 112 12.128 -6.223 5.707 1.00 0.00 O ATOM 0 H GLU A 112 8.242 -1.969 6.122 1.00 0.00 H new ATOM 0 HA GLU A 112 11.101 -2.582 5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.635 -4.045 6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.483 -4.737 5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 112 10.700 -4.228 7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.126 -5.780 7.162 1.00 0.00 H new ATOM 1725 N ILE A 113 8.916 -2.645 3.366 1.00 0.00 N ATOM 1726 CA ILE A 113 8.790 -2.528 1.921 1.00 0.00 C ATOM 1727 C ILE A 113 8.254 -1.148 1.541 1.00 0.00 C ATOM 1728 O ILE A 113 7.124 -0.773 1.896 1.00 0.00 O ATOM 1729 CB ILE A 113 7.884 -3.634 1.343 1.00 0.00 C ATOM 1730 CG1 ILE A 113 8.407 -5.011 1.754 1.00 0.00 C ATOM 1731 CG2 ILE A 113 7.803 -3.525 -0.173 1.00 0.00 C ATOM 1732 CD1 ILE A 113 9.858 -5.243 1.389 1.00 0.00 C ATOM 0 H ILE A 113 8.031 -2.755 3.860 1.00 0.00 H new ATOM 0 HA ILE A 113 9.784 -2.651 1.490 1.00 0.00 H new ATOM 0 HB ILE A 113 6.880 -3.506 1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.289 -5.128 2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.795 -5.779 1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.159 -4.314 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.391 -2.554 -0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.801 -3.629 -0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 113 10.159 -6.240 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.980 -5.158 0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.481 -4.498 1.884 1.00 0.00 H new ATOM 1744 N ILE A 114 9.090 -0.389 0.834 1.00 0.00 N ATOM 1745 CA ILE A 114 8.742 0.960 0.413 1.00 0.00 C ATOM 1746 C ILE A 114 8.548 1.062 -1.099 1.00 0.00 C ATOM 1747 O ILE A 114 7.483 1.458 -1.571 1.00 0.00 O ATOM 1748 CB ILE A 114 9.824 1.974 0.839 1.00 0.00 C ATOM 1749 CG1 ILE A 114 11.237 1.391 0.652 1.00 0.00 C ATOM 1750 CG2 ILE A 114 9.610 2.416 2.280 1.00 0.00 C ATOM 1751 CD1 ILE A 114 11.718 0.543 1.811 1.00 0.00 C ATOM 0 H ILE A 114 10.019 -0.692 0.541 1.00 0.00 H new ATOM 0 HA ILE A 114 7.798 1.195 0.905 1.00 0.00 H new ATOM 0 HB ILE A 114 9.735 2.849 0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 114 11.251 0.787 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 114 11.939 2.211 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.384 3.131 2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.631 2.885 2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 114 9.662 1.549 2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 114 12.721 0.172 1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 114 11.739 1.146 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 114 11.041 -0.300 1.951 1.00 0.00 H new ATOM 1763 N ASN A 115 9.590 0.717 -1.846 1.00 0.00 N ATOM 1764 CA ASN A 115 9.563 0.778 -3.302 1.00 0.00 C ATOM 1765 C ASN A 115 10.958 0.488 -3.850 1.00 0.00 C ATOM 1766 O ASN A 115 11.109 -0.153 -4.889 1.00 0.00 O ATOM 1767 CB ASN A 115 9.079 2.162 -3.770 1.00 0.00 C ATOM 1768 CG ASN A 115 9.209 2.356 -5.271 1.00 0.00 C ATOM 1769 OD1 ASN A 115 8.875 3.551 -5.748 1.00 0.00 O flip ATOM 1770 ND2 ASN A 115 9.600 1.441 -5.996 1.00 0.00 N flip ATOM 0 H ASN A 115 10.475 0.388 -1.461 1.00 0.00 H new ATOM 0 HA ASN A 115 8.868 0.028 -3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 115 8.037 2.294 -3.480 1.00 0.00 H new ATOM 0 HB3 ASN A 115 9.652 2.934 -3.258 1.00 0.00 H new ATOM 0 HD21 ASN A 115 9.847 0.538 -5.590 1.00 0.00 H new ATOM 0 HD22 ASN A 115 9.677 1.586 -7.003 1.00 0.00 H new ATOM 1777 N GLU A 116 11.973 0.962 -3.126 1.00 0.00 N ATOM 1778 CA GLU A 116 13.369 0.759 -3.509 1.00 0.00 C ATOM 1779 C GLU A 116 13.703 1.490 -4.804 1.00 0.00 C ATOM 1780 O GLU A 116 14.514 2.416 -4.813 1.00 0.00 O ATOM 1781 CB GLU A 116 13.676 -0.734 -3.649 1.00 0.00 C ATOM 1782 CG GLU A 116 13.874 -1.435 -2.315 1.00 0.00 C ATOM 1783 CD GLU A 116 15.191 -1.069 -1.656 1.00 0.00 C ATOM 1784 OE1 GLU A 116 15.368 0.116 -1.303 1.00 0.00 O ATOM 1785 OE2 GLU A 116 16.042 -1.967 -1.491 1.00 0.00 O ATOM 0 H GLU A 116 11.851 1.494 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 116 13.993 1.175 -2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.860 -1.217 -4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 116 14.574 -0.858 -4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.053 -1.176 -1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 116 13.834 -2.514 -2.466 1.00 0.00 H new ATOM 1792 N ASN A 117 13.076 1.070 -5.897 1.00 0.00 N ATOM 1793 CA ASN A 117 13.310 1.690 -7.195 1.00 0.00 C ATOM 1794 C ASN A 117 12.844 3.146 -7.211 1.00 0.00 C ATOM 1795 O ASN A 117 13.162 3.893 -8.136 1.00 0.00 O ATOM 1796 CB ASN A 117 12.596 0.901 -8.294 1.00 0.00 C ATOM 1797 CG ASN A 117 13.342 0.947 -9.614 1.00 0.00 C ATOM 1798 OD1 ASN A 117 12.893 1.573 -10.572 1.00 0.00 O ATOM 1799 ND2 ASN A 117 14.489 0.281 -9.667 1.00 0.00 N ATOM 0 H ASN A 117 12.403 0.304 -5.910 1.00 0.00 H new ATOM 0 HA ASN A 117 14.384 1.677 -7.381 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.484 -0.136 -7.979 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.592 1.302 -8.433 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.036 0.275 -10.528 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.823 -0.225 -8.847 1.00 0.00 H new ATOM 1806 N GLY A 118 12.093 3.549 -6.187 1.00 0.00 N ATOM 1807 CA GLY A 118 11.606 4.915 -6.118 1.00 0.00 C ATOM 1808 C GLY A 118 12.725 5.934 -6.228 1.00 0.00 C ATOM 1809 O GLY A 118 12.944 6.515 -7.290 1.00 0.00 O ATOM 0 H GLY A 118 11.815 2.954 -5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 118 10.886 5.082 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 118 11.076 5.062 -5.177 1.00 0.00 H new ATOM 1813 N ASN A 119 13.429 6.149 -5.125 1.00 0.00 N ATOM 1814 CA ASN A 119 14.533 7.103 -5.095 1.00 0.00 C ATOM 1815 C ASN A 119 15.281 7.017 -3.765 1.00 0.00 C ATOM 1816 O ASN A 119 14.692 6.681 -2.739 1.00 0.00 O ATOM 1817 CB ASN A 119 14.010 8.524 -5.308 1.00 0.00 C ATOM 1818 CG ASN A 119 15.104 9.486 -5.729 1.00 0.00 C ATOM 1819 OD1 ASN A 119 15.772 9.282 -6.743 1.00 0.00 O ATOM 1820 ND2 ASN A 119 15.294 10.543 -4.948 1.00 0.00 N ATOM 0 H ASN A 119 13.256 5.676 -4.238 1.00 0.00 H new ATOM 0 HA ASN A 119 15.224 6.854 -5.901 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.229 8.511 -6.069 1.00 0.00 H new ATOM 0 HB3 ASN A 119 13.551 8.881 -4.386 1.00 0.00 H new ATOM 0 HD21 ASN A 119 16.017 11.225 -5.179 1.00 0.00 H new ATOM 0 HD22 ASN A 119 14.717 10.673 -4.117 1.00 0.00 H new ATOM 1827 N PRO A 120 16.593 7.318 -3.760 1.00 0.00 N ATOM 1828 CA PRO A 120 17.415 7.268 -2.547 1.00 0.00 C ATOM 1829 C PRO A 120 17.169 8.457 -1.617 1.00 0.00 C ATOM 1830 O PRO A 120 18.113 9.045 -1.090 1.00 0.00 O ATOM 1831 CB PRO A 120 18.860 7.302 -3.078 1.00 0.00 C ATOM 1832 CG PRO A 120 18.756 7.220 -4.569 1.00 0.00 C ATOM 1833 CD PRO A 120 17.387 7.721 -4.925 1.00 0.00 C ATOM 0 HA PRO A 120 17.185 6.386 -1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 120 19.366 8.218 -2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 120 19.441 6.469 -2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 120 19.527 7.825 -5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 120 18.896 6.195 -4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 120 17.375 8.801 -5.071 1.00 0.00 H new ATOM 0 HD3 PRO A 120 17.016 7.270 -5.845 1.00 0.00 H new ATOM 1841 N SER A 121 15.900 8.803 -1.415 1.00 0.00 N ATOM 1842 CA SER A 121 15.531 9.916 -0.548 1.00 0.00 C ATOM 1843 C SER A 121 14.033 10.162 -0.637 1.00 0.00 C ATOM 1844 O SER A 121 13.582 11.306 -0.705 1.00 0.00 O ATOM 1845 CB SER A 121 16.289 11.186 -0.944 1.00 0.00 C ATOM 1846 OG SER A 121 17.518 11.287 -0.245 1.00 0.00 O ATOM 0 H SER A 121 15.107 8.325 -1.843 1.00 0.00 H new ATOM 0 HA SER A 121 15.798 9.660 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 121 16.477 11.181 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 121 15.674 12.061 -0.733 1.00 0.00 H new ATOM 0 HG SER A 121 18.029 10.459 -0.361 1.00 0.00 H new ATOM 1852 N TYR A 122 13.267 9.079 -0.662 1.00 0.00 N ATOM 1853 CA TYR A 122 11.822 9.178 -0.770 1.00 0.00 C ATOM 1854 C TYR A 122 11.167 7.806 -0.630 1.00 0.00 C ATOM 1855 O TYR A 122 10.146 7.660 0.039 1.00 0.00 O ATOM 1856 CB TYR A 122 11.464 9.810 -2.109 1.00 0.00 C ATOM 1857 CG TYR A 122 10.844 11.184 -1.986 1.00 0.00 C ATOM 1858 CD1 TYR A 122 9.681 11.384 -1.254 1.00 0.00 C ATOM 1859 CD2 TYR A 122 11.430 12.283 -2.602 1.00 0.00 C ATOM 1860 CE1 TYR A 122 9.118 12.641 -1.142 1.00 0.00 C ATOM 1861 CE2 TYR A 122 10.876 13.542 -2.493 1.00 0.00 C ATOM 1862 CZ TYR A 122 9.719 13.717 -1.763 1.00 0.00 C ATOM 1863 OH TYR A 122 9.163 14.970 -1.651 1.00 0.00 O ATOM 0 H TYR A 122 13.624 8.125 -0.609 1.00 0.00 H new ATOM 0 HA TYR A 122 11.446 9.804 0.039 1.00 0.00 H new ATOM 0 HB2 TYR A 122 12.364 9.881 -2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 122 10.771 9.154 -2.637 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.209 10.544 -0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 122 12.335 12.149 -3.176 1.00 0.00 H new ATOM 0 HE1 TYR A 122 8.212 12.781 -0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.346 14.386 -2.977 1.00 0.00 H new ATOM 0 HH TYR A 122 9.709 15.616 -2.146 1.00 0.00 H new ATOM 1873 N LYS A 123 11.772 6.801 -1.250 1.00 0.00 N ATOM 1874 CA LYS A 123 11.266 5.431 -1.179 1.00 0.00 C ATOM 1875 C LYS A 123 9.783 5.333 -1.569 1.00 0.00 C ATOM 1876 O LYS A 123 9.458 5.092 -2.732 1.00 0.00 O ATOM 1877 CB LYS A 123 11.492 4.882 0.231 1.00 0.00 C ATOM 1878 CG LYS A 123 12.958 4.716 0.591 1.00 0.00 C ATOM 1879 CD LYS A 123 13.661 3.751 -0.356 1.00 0.00 C ATOM 1880 CE LYS A 123 14.748 4.444 -1.164 1.00 0.00 C ATOM 1881 NZ LYS A 123 16.027 3.680 -1.142 1.00 0.00 N ATOM 0 H LYS A 123 12.617 6.907 -1.811 1.00 0.00 H new ATOM 0 HA LYS A 123 11.817 4.830 -1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 123 11.023 5.552 0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 123 10.993 3.917 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 123 13.454 5.686 0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 123 13.043 4.350 1.614 1.00 0.00 H new ATOM 0 HD2 LYS A 123 14.099 2.934 0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 123 12.930 3.309 -1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.414 4.564 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 123 14.915 5.444 -0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 16.742 4.184 -1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 16.359 3.587 -0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 15.873 2.734 -1.546 1.00 0.00 H new ATOM 1895 N TYR A 124 8.889 5.505 -0.592 1.00 0.00 N ATOM 1896 CA TYR A 124 7.444 5.419 -0.830 1.00 0.00 C ATOM 1897 C TYR A 124 6.987 6.293 -2.004 1.00 0.00 C ATOM 1898 O TYR A 124 5.865 6.140 -2.494 1.00 0.00 O ATOM 1899 CB TYR A 124 6.673 5.822 0.426 1.00 0.00 C ATOM 1900 CG TYR A 124 6.837 4.871 1.589 1.00 0.00 C ATOM 1901 CD1 TYR A 124 6.598 3.510 1.442 1.00 0.00 C ATOM 1902 CD2 TYR A 124 7.214 5.336 2.840 1.00 0.00 C ATOM 1903 CE1 TYR A 124 6.727 2.643 2.509 1.00 0.00 C ATOM 1904 CE2 TYR A 124 7.352 4.475 3.909 1.00 0.00 C ATOM 1905 CZ TYR A 124 7.107 3.130 3.739 1.00 0.00 C ATOM 1906 OH TYR A 124 7.237 2.269 4.803 1.00 0.00 O ATOM 0 H TYR A 124 9.141 5.706 0.376 1.00 0.00 H new ATOM 0 HA TYR A 124 7.232 4.381 -1.084 1.00 0.00 H new ATOM 0 HB2 TYR A 124 6.999 6.815 0.735 1.00 0.00 H new ATOM 0 HB3 TYR A 124 5.614 5.897 0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.306 3.124 0.477 1.00 0.00 H new ATOM 0 HD2 TYR A 124 7.403 6.390 2.980 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.531 1.589 2.379 1.00 0.00 H new ATOM 0 HE2 TYR A 124 7.651 4.854 4.875 1.00 0.00 H new ATOM 0 HH TYR A 124 7.024 1.357 4.514 1.00 0.00 H new ATOM 1916 N PHE A 125 7.844 7.211 -2.445 1.00 0.00 N ATOM 1917 CA PHE A 125 7.513 8.100 -3.555 1.00 0.00 C ATOM 1918 C PHE A 125 7.457 7.324 -4.865 1.00 0.00 C ATOM 1919 O PHE A 125 8.451 6.729 -5.285 1.00 0.00 O ATOM 1920 CB PHE A 125 8.559 9.211 -3.659 1.00 0.00 C ATOM 1921 CG PHE A 125 8.291 10.211 -4.749 1.00 0.00 C ATOM 1922 CD1 PHE A 125 7.120 10.948 -4.766 1.00 0.00 C ATOM 1923 CD2 PHE A 125 9.225 10.417 -5.753 1.00 0.00 C ATOM 1924 CE1 PHE A 125 6.882 11.873 -5.768 1.00 0.00 C ATOM 1925 CE2 PHE A 125 8.995 11.340 -6.754 1.00 0.00 C ATOM 1926 CZ PHE A 125 7.821 12.068 -6.761 1.00 0.00 C ATOM 0 H PHE A 125 8.773 7.358 -2.050 1.00 0.00 H new ATOM 0 HA PHE A 125 6.533 8.539 -3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.611 9.736 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.536 8.759 -3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 125 6.384 10.800 -3.989 1.00 0.00 H new ATOM 0 HD2 PHE A 125 10.143 9.849 -5.752 1.00 0.00 H new ATOM 0 HE1 PHE A 125 5.963 12.441 -5.773 1.00 0.00 H new ATOM 0 HE2 PHE A 125 9.731 11.492 -7.529 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.638 12.790 -7.543 1.00 0.00 H new ATOM 1936 N TYR A 126 6.297 7.330 -5.510 1.00 0.00 N ATOM 1937 CA TYR A 126 6.133 6.621 -6.772 1.00 0.00 C ATOM 1938 C TYR A 126 6.313 7.565 -7.956 1.00 0.00 C ATOM 1939 O TYR A 126 5.920 8.730 -7.903 1.00 0.00 O ATOM 1940 CB TYR A 126 4.756 5.949 -6.845 1.00 0.00 C ATOM 1941 CG TYR A 126 4.768 4.448 -6.611 1.00 0.00 C ATOM 1942 CD1 TYR A 126 5.919 3.688 -6.803 1.00 0.00 C ATOM 1943 CD2 TYR A 126 3.617 3.792 -6.197 1.00 0.00 C ATOM 1944 CE1 TYR A 126 5.917 2.322 -6.590 1.00 0.00 C ATOM 1945 CE2 TYR A 126 3.607 2.427 -5.982 1.00 0.00 C ATOM 1946 CZ TYR A 126 4.759 1.698 -6.179 1.00 0.00 C ATOM 1947 OH TYR A 126 4.753 0.338 -5.966 1.00 0.00 O ATOM 0 H TYR A 126 5.461 7.815 -5.183 1.00 0.00 H new ATOM 0 HA TYR A 126 6.903 5.851 -6.821 1.00 0.00 H new ATOM 0 HB2 TYR A 126 4.101 6.413 -6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 126 4.322 6.147 -7.825 1.00 0.00 H new ATOM 0 HD1 TYR A 126 6.829 4.174 -7.124 1.00 0.00 H new ATOM 0 HD2 TYR A 126 2.712 4.359 -6.040 1.00 0.00 H new ATOM 0 HE1 TYR A 126 6.818 1.747 -6.745 1.00 0.00 H new ATOM 0 HE2 TYR A 126 2.701 1.934 -5.661 1.00 0.00 H new ATOM 0 HH TYR A 126 3.860 0.056 -5.679 1.00 0.00 H new ATOM 1957 N VAL A 127 6.905 7.045 -9.022 1.00 0.00 N ATOM 1958 CA VAL A 127 7.144 7.818 -10.231 1.00 0.00 C ATOM 1959 C VAL A 127 7.417 6.891 -11.405 1.00 0.00 C ATOM 1960 O VAL A 127 8.534 6.399 -11.572 1.00 0.00 O ATOM 1961 CB VAL A 127 8.328 8.792 -10.068 1.00 0.00 C ATOM 1962 CG1 VAL A 127 7.903 10.025 -9.286 1.00 0.00 C ATOM 1963 CG2 VAL A 127 9.506 8.106 -9.393 1.00 0.00 C ATOM 0 H VAL A 127 7.232 6.080 -9.073 1.00 0.00 H new ATOM 0 HA VAL A 127 6.244 8.403 -10.420 1.00 0.00 H new ATOM 0 HB VAL A 127 8.646 9.109 -11.061 1.00 0.00 H new ATOM 0 HG11 VAL A 127 8.752 10.700 -9.182 1.00 0.00 H new ATOM 0 HG12 VAL A 127 7.098 10.533 -9.817 1.00 0.00 H new ATOM 0 HG13 VAL A 127 7.553 9.726 -8.298 1.00 0.00 H new ATOM 0 HG21 VAL A 127 10.329 8.814 -9.289 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.205 7.753 -8.407 1.00 0.00 H new ATOM 0 HG23 VAL A 127 9.830 7.259 -9.998 1.00 0.00 H new ATOM 1973 N SER A 128 6.376 6.652 -12.203 1.00 0.00 N ATOM 1974 CA SER A 128 6.455 5.770 -13.379 1.00 0.00 C ATOM 1975 C SER A 128 5.939 4.373 -13.046 1.00 0.00 C ATOM 1976 O SER A 128 6.346 3.766 -12.054 1.00 0.00 O ATOM 1977 CB SER A 128 7.883 5.688 -13.935 1.00 0.00 C ATOM 1978 OG SER A 128 8.621 4.657 -13.301 1.00 0.00 O ATOM 0 H SER A 128 5.453 7.061 -12.057 1.00 0.00 H new ATOM 0 HA SER A 128 5.820 6.206 -14.151 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.848 5.506 -15.009 1.00 0.00 H new ATOM 0 HB3 SER A 128 8.388 6.643 -13.790 1.00 0.00 H new ATOM 0 HG SER A 128 9.249 5.051 -12.660 1.00 0.00 H new ATOM 1984 N ALA A 129 5.037 3.869 -13.881 1.00 0.00 N ATOM 1985 CA ALA A 129 4.458 2.545 -13.681 1.00 0.00 C ATOM 1986 C ALA A 129 5.496 1.442 -13.883 1.00 0.00 C ATOM 1987 O ALA A 129 5.272 0.291 -13.506 1.00 0.00 O ATOM 1988 CB ALA A 129 3.280 2.340 -14.623 1.00 0.00 C ATOM 0 H ALA A 129 4.690 4.359 -14.706 1.00 0.00 H new ATOM 0 HA ALA A 129 4.107 2.486 -12.651 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.856 1.348 -14.465 1.00 0.00 H new ATOM 0 HB2 ALA A 129 2.520 3.096 -14.425 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.620 2.429 -15.655 1.00 0.00 H new ATOM 1994 N GLU A 130 6.627 1.792 -14.484 1.00 0.00 N ATOM 1995 CA GLU A 130 7.688 0.825 -14.736 1.00 0.00 C ATOM 1996 C GLU A 130 8.318 0.341 -13.431 1.00 0.00 C ATOM 1997 O GLU A 130 8.553 -0.857 -13.245 1.00 0.00 O ATOM 1998 CB GLU A 130 8.761 1.437 -15.640 1.00 0.00 C ATOM 1999 CG GLU A 130 8.660 0.985 -17.089 1.00 0.00 C ATOM 2000 CD GLU A 130 8.835 2.129 -18.068 1.00 0.00 C ATOM 2001 OE1 GLU A 130 9.994 2.470 -18.383 1.00 0.00 O ATOM 2002 OE2 GLU A 130 7.811 2.684 -18.520 1.00 0.00 O ATOM 0 H GLU A 130 6.833 2.738 -14.806 1.00 0.00 H new ATOM 0 HA GLU A 130 7.244 -0.034 -15.239 1.00 0.00 H new ATOM 0 HB2 GLU A 130 8.683 2.523 -15.600 1.00 0.00 H new ATOM 0 HB3 GLU A 130 9.745 1.174 -15.253 1.00 0.00 H new ATOM 0 HG2 GLU A 130 9.418 0.226 -17.283 1.00 0.00 H new ATOM 0 HG3 GLU A 130 7.690 0.516 -17.253 1.00 0.00 H new ATOM 2009 N GLN A 131 8.600 1.264 -12.522 1.00 0.00 N ATOM 2010 CA GLN A 131 9.207 0.879 -11.263 1.00 0.00 C ATOM 2011 C GLN A 131 8.188 0.254 -10.320 1.00 0.00 C ATOM 2012 O GLN A 131 8.449 -0.784 -9.715 1.00 0.00 O ATOM 2013 CB GLN A 131 9.876 2.049 -10.571 1.00 0.00 C ATOM 2014 CG GLN A 131 9.054 3.325 -10.563 1.00 0.00 C ATOM 2015 CD GLN A 131 8.892 3.898 -9.171 1.00 0.00 C ATOM 2016 OE1 GLN A 131 9.308 5.146 -8.993 1.00 0.00 O flip ATOM 2017 NE2 GLN A 131 8.406 3.225 -8.266 1.00 0.00 N flip ATOM 0 H GLN A 131 8.422 2.262 -12.631 1.00 0.00 H new ATOM 0 HA GLN A 131 9.969 0.139 -11.508 1.00 0.00 H new ATOM 0 HB2 GLN A 131 10.099 1.768 -9.542 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.829 2.248 -11.060 1.00 0.00 H new ATOM 0 HG2 GLN A 131 9.531 4.066 -11.205 1.00 0.00 H new ATOM 0 HG3 GLN A 131 8.070 3.123 -10.987 1.00 0.00 H new ATOM 0 HE21 GLN A 131 8.100 2.269 -8.449 1.00 0.00 H new ATOM 0 HE22 GLN A 131 8.309 3.622 -7.331 1.00 0.00 H new ATOM 2026 N VAL A 132 7.025 0.888 -10.191 1.00 0.00 N ATOM 2027 CA VAL A 132 5.986 0.380 -9.312 1.00 0.00 C ATOM 2028 C VAL A 132 5.710 -1.093 -9.595 1.00 0.00 C ATOM 2029 O VAL A 132 5.308 -1.840 -8.703 1.00 0.00 O ATOM 2030 CB VAL A 132 4.676 1.186 -9.446 1.00 0.00 C ATOM 2031 CG1 VAL A 132 4.962 2.680 -9.491 1.00 0.00 C ATOM 2032 CG2 VAL A 132 3.883 0.748 -10.669 1.00 0.00 C ATOM 0 H VAL A 132 6.783 1.749 -10.682 1.00 0.00 H new ATOM 0 HA VAL A 132 6.352 0.489 -8.291 1.00 0.00 H new ATOM 0 HB VAL A 132 4.067 0.983 -8.565 1.00 0.00 H new ATOM 0 HG11 VAL A 132 4.024 3.227 -9.586 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.467 2.982 -8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 132 5.600 2.903 -10.346 1.00 0.00 H new ATOM 0 HG21 VAL A 132 2.966 1.333 -10.737 1.00 0.00 H new ATOM 0 HG22 VAL A 132 4.481 0.906 -11.566 1.00 0.00 H new ATOM 0 HG23 VAL A 132 3.633 -0.309 -10.581 1.00 0.00 H new ATOM 2042 N VAL A 133 5.931 -1.505 -10.843 1.00 0.00 N ATOM 2043 CA VAL A 133 5.703 -2.889 -11.229 1.00 0.00 C ATOM 2044 C VAL A 133 6.866 -3.779 -10.808 1.00 0.00 C ATOM 2045 O VAL A 133 6.655 -4.941 -10.462 1.00 0.00 O ATOM 2046 CB VAL A 133 5.456 -3.049 -12.743 1.00 0.00 C ATOM 2047 CG1 VAL A 133 6.693 -2.682 -13.540 1.00 0.00 C ATOM 2048 CG2 VAL A 133 5.013 -4.469 -13.062 1.00 0.00 C ATOM 0 H VAL A 133 6.265 -0.903 -11.595 1.00 0.00 H new ATOM 0 HA VAL A 133 4.800 -3.202 -10.706 1.00 0.00 H new ATOM 0 HB VAL A 133 4.658 -2.364 -13.030 1.00 0.00 H new ATOM 0 HG11 VAL A 133 6.490 -2.804 -14.604 1.00 0.00 H new ATOM 0 HG12 VAL A 133 6.961 -1.645 -13.339 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.518 -3.333 -13.251 1.00 0.00 H new ATOM 0 HG21 VAL A 133 4.843 -4.565 -14.134 1.00 0.00 H new ATOM 0 HG22 VAL A 133 5.789 -5.170 -12.753 1.00 0.00 H new ATOM 0 HG23 VAL A 133 4.090 -4.691 -12.527 1.00 0.00 H new ATOM 2058 N GLN A 134 8.094 -3.246 -10.809 1.00 0.00 N ATOM 2059 CA GLN A 134 9.231 -4.065 -10.387 1.00 0.00 C ATOM 2060 C GLN A 134 9.206 -4.206 -8.876 1.00 0.00 C ATOM 2061 O GLN A 134 9.561 -5.249 -8.330 1.00 0.00 O ATOM 2062 CB GLN A 134 10.573 -3.489 -10.853 1.00 0.00 C ATOM 2063 CG GLN A 134 10.632 -1.979 -10.836 1.00 0.00 C ATOM 2064 CD GLN A 134 11.957 -1.442 -11.340 1.00 0.00 C ATOM 2065 OE1 GLN A 134 12.985 -1.569 -10.677 1.00 0.00 O ATOM 2066 NE2 GLN A 134 11.939 -0.837 -12.523 1.00 0.00 N ATOM 0 H GLN A 134 8.319 -2.290 -11.086 1.00 0.00 H new ATOM 0 HA GLN A 134 9.136 -5.044 -10.856 1.00 0.00 H new ATOM 0 HB2 GLN A 134 11.366 -3.881 -10.216 1.00 0.00 H new ATOM 0 HB3 GLN A 134 10.775 -3.839 -11.865 1.00 0.00 H new ATOM 0 HG2 GLN A 134 9.825 -1.581 -11.451 1.00 0.00 H new ATOM 0 HG3 GLN A 134 10.463 -1.624 -9.819 1.00 0.00 H new ATOM 0 HE21 GLN A 134 11.064 -0.753 -13.040 1.00 0.00 H new ATOM 0 HE22 GLN A 134 12.801 -0.456 -12.914 1.00 0.00 H new ATOM 2075 N GLY A 135 8.734 -3.160 -8.209 1.00 0.00 N ATOM 2076 CA GLY A 135 8.611 -3.197 -6.770 1.00 0.00 C ATOM 2077 C GLY A 135 7.402 -4.009 -6.357 1.00 0.00 C ATOM 2078 O GLY A 135 7.295 -4.447 -5.212 1.00 0.00 O ATOM 0 H GLY A 135 8.435 -2.287 -8.643 1.00 0.00 H new ATOM 0 HA2 GLY A 135 9.512 -3.629 -6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 135 8.524 -2.182 -6.381 1.00 0.00 H new ATOM 2082 N MET A 136 6.493 -4.223 -7.312 1.00 0.00 N ATOM 2083 CA MET A 136 5.290 -5.001 -7.067 1.00 0.00 C ATOM 2084 C MET A 136 5.575 -6.481 -7.292 1.00 0.00 C ATOM 2085 O MET A 136 5.135 -7.337 -6.527 1.00 0.00 O ATOM 2086 CB MET A 136 4.158 -4.542 -7.993 1.00 0.00 C ATOM 2087 CG MET A 136 3.061 -3.772 -7.277 1.00 0.00 C ATOM 2088 SD MET A 136 1.684 -3.357 -8.363 1.00 0.00 S ATOM 2089 CE MET A 136 2.147 -1.705 -8.877 1.00 0.00 C ATOM 0 H MET A 136 6.574 -3.864 -8.263 1.00 0.00 H new ATOM 0 HA MET A 136 4.980 -4.848 -6.033 1.00 0.00 H new ATOM 0 HB2 MET A 136 4.576 -3.915 -8.781 1.00 0.00 H new ATOM 0 HB3 MET A 136 3.721 -5.414 -8.478 1.00 0.00 H new ATOM 0 HG2 MET A 136 2.693 -4.365 -6.440 1.00 0.00 H new ATOM 0 HG3 MET A 136 3.478 -2.856 -6.859 1.00 0.00 H new ATOM 0 HE1 MET A 136 1.274 -1.054 -8.839 1.00 0.00 H new ATOM 0 HE2 MET A 136 2.917 -1.319 -8.209 1.00 0.00 H new ATOM 0 HE3 MET A 136 2.532 -1.736 -9.896 1.00 0.00 H new ATOM 2099 N LYS A 137 6.317 -6.760 -8.357 1.00 0.00 N ATOM 2100 CA LYS A 137 6.680 -8.124 -8.720 1.00 0.00 C ATOM 2101 C LYS A 137 7.752 -8.693 -7.789 1.00 0.00 C ATOM 2102 O LYS A 137 7.994 -9.901 -7.780 1.00 0.00 O ATOM 2103 CB LYS A 137 7.153 -8.167 -10.178 1.00 0.00 C ATOM 2104 CG LYS A 137 8.516 -7.537 -10.414 1.00 0.00 C ATOM 2105 CD LYS A 137 8.683 -7.090 -11.863 1.00 0.00 C ATOM 2106 CE LYS A 137 8.282 -8.179 -12.847 1.00 0.00 C ATOM 2107 NZ LYS A 137 9.206 -9.346 -12.793 1.00 0.00 N ATOM 0 H LYS A 137 6.683 -6.050 -8.991 1.00 0.00 H new ATOM 0 HA LYS A 137 5.794 -8.749 -8.611 1.00 0.00 H new ATOM 0 HB2 LYS A 137 7.184 -9.206 -10.507 1.00 0.00 H new ATOM 0 HB3 LYS A 137 6.418 -7.658 -10.801 1.00 0.00 H new ATOM 0 HG2 LYS A 137 8.642 -6.681 -9.751 1.00 0.00 H new ATOM 0 HG3 LYS A 137 9.298 -8.253 -10.161 1.00 0.00 H new ATOM 0 HD2 LYS A 137 8.077 -6.201 -12.040 1.00 0.00 H new ATOM 0 HD3 LYS A 137 9.721 -6.808 -12.038 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.267 -8.510 -12.628 1.00 0.00 H new ATOM 0 HE3 LYS A 137 8.273 -7.770 -13.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.898 -10.065 -13.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 10.171 -9.036 -13.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 9.196 -9.753 -11.836 1.00 0.00 H new ATOM 2121 N GLU A 138 8.389 -7.826 -7.008 1.00 0.00 N ATOM 2122 CA GLU A 138 9.430 -8.256 -6.078 1.00 0.00 C ATOM 2123 C GLU A 138 8.887 -8.345 -4.659 1.00 0.00 C ATOM 2124 O GLU A 138 8.789 -9.430 -4.084 1.00 0.00 O ATOM 2125 CB GLU A 138 10.620 -7.292 -6.119 1.00 0.00 C ATOM 2126 CG GLU A 138 11.858 -7.881 -6.776 1.00 0.00 C ATOM 2127 CD GLU A 138 12.919 -8.275 -5.766 1.00 0.00 C ATOM 2128 OE1 GLU A 138 13.442 -7.377 -5.074 1.00 0.00 O ATOM 2129 OE2 GLU A 138 13.227 -9.482 -5.668 1.00 0.00 O ATOM 0 H GLU A 138 8.204 -6.823 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 138 9.765 -9.246 -6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 138 10.328 -6.390 -6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 138 10.868 -6.990 -5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 138 11.574 -8.756 -7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 138 12.276 -7.155 -7.473 1.00 0.00 H new ATOM 2136 N ALA A 139 8.534 -7.194 -4.103 1.00 0.00 N ATOM 2137 CA ALA A 139 7.993 -7.128 -2.750 1.00 0.00 C ATOM 2138 C ALA A 139 6.880 -8.150 -2.551 1.00 0.00 C ATOM 2139 O ALA A 139 6.638 -8.610 -1.435 1.00 0.00 O ATOM 2140 CB ALA A 139 7.481 -5.725 -2.457 1.00 0.00 C ATOM 0 H ALA A 139 8.613 -6.290 -4.569 1.00 0.00 H new ATOM 0 HA ALA A 139 8.796 -7.366 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 139 7.080 -5.688 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 139 8.300 -5.012 -2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 139 6.696 -5.468 -3.168 1.00 0.00 H new ATOM 2146 N GLN A 140 6.203 -8.500 -3.641 1.00 0.00 N ATOM 2147 CA GLN A 140 5.116 -9.462 -3.590 1.00 0.00 C ATOM 2148 C GLN A 140 5.587 -10.832 -3.102 1.00 0.00 C ATOM 2149 O GLN A 140 4.770 -11.679 -2.747 1.00 0.00 O ATOM 2150 CB GLN A 140 4.476 -9.595 -4.970 1.00 0.00 C ATOM 2151 CG GLN A 140 5.459 -9.971 -6.066 1.00 0.00 C ATOM 2152 CD GLN A 140 5.793 -11.450 -6.072 1.00 0.00 C ATOM 2153 OE1 GLN A 140 6.963 -11.832 -6.051 1.00 0.00 O ATOM 2154 NE2 GLN A 140 4.766 -12.291 -6.104 1.00 0.00 N ATOM 0 H GLN A 140 6.392 -8.128 -4.572 1.00 0.00 H new ATOM 0 HA GLN A 140 4.381 -9.092 -2.875 1.00 0.00 H new ATOM 0 HB2 GLN A 140 3.690 -10.349 -4.925 1.00 0.00 H new ATOM 0 HB3 GLN A 140 3.998 -8.651 -5.231 1.00 0.00 H new ATOM 0 HG2 GLN A 140 5.041 -9.693 -7.034 1.00 0.00 H new ATOM 0 HG3 GLN A 140 6.376 -9.396 -5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 140 3.812 -11.931 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 140 4.931 -13.298 -6.112 1.00 0.00 H new ATOM 2163 N GLU A 141 6.900 -11.053 -3.092 1.00 0.00 N ATOM 2164 CA GLU A 141 7.450 -12.332 -2.651 1.00 0.00 C ATOM 2165 C GLU A 141 7.914 -12.269 -1.198 1.00 0.00 C ATOM 2166 O GLU A 141 7.813 -13.250 -0.463 1.00 0.00 O ATOM 2167 CB GLU A 141 8.620 -12.743 -3.550 1.00 0.00 C ATOM 2168 CG GLU A 141 9.256 -14.066 -3.153 1.00 0.00 C ATOM 2169 CD GLU A 141 9.813 -14.825 -4.340 1.00 0.00 C ATOM 2170 OE1 GLU A 141 9.010 -15.331 -5.152 1.00 0.00 O ATOM 2171 OE2 GLU A 141 11.053 -14.912 -4.461 1.00 0.00 O ATOM 0 H GLU A 141 7.598 -10.368 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 141 6.657 -13.076 -2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.269 -12.812 -4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 141 9.380 -11.962 -3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.057 -13.879 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.514 -14.684 -2.647 1.00 0.00 H new ATOM 2178 N ARG A 142 8.432 -11.115 -0.793 1.00 0.00 N ATOM 2179 CA ARG A 142 8.923 -10.932 0.568 1.00 0.00 C ATOM 2180 C ARG A 142 7.797 -11.049 1.594 1.00 0.00 C ATOM 2181 O ARG A 142 7.815 -11.935 2.448 1.00 0.00 O ATOM 2182 CB ARG A 142 9.612 -9.573 0.704 1.00 0.00 C ATOM 2183 CG ARG A 142 11.016 -9.542 0.121 1.00 0.00 C ATOM 2184 CD ARG A 142 11.096 -8.640 -1.101 1.00 0.00 C ATOM 2185 NE ARG A 142 11.377 -7.254 -0.739 1.00 0.00 N ATOM 2186 CZ ARG A 142 12.588 -6.799 -0.431 1.00 0.00 C ATOM 2187 NH1 ARG A 142 13.635 -7.616 -0.439 1.00 0.00 N ATOM 2188 NH2 ARG A 142 12.756 -5.523 -0.110 1.00 0.00 N ATOM 0 H ARG A 142 8.523 -10.292 -1.388 1.00 0.00 H new ATOM 0 HA ARG A 142 9.643 -11.725 0.768 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.005 -8.816 0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.659 -9.303 1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 142 11.717 -9.192 0.879 1.00 0.00 H new ATOM 0 HG3 ARG A 142 11.320 -10.553 -0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.875 -9.005 -1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 142 10.155 -8.688 -1.650 1.00 0.00 H new ATOM 0 HE ARG A 142 10.598 -6.595 -0.721 1.00 0.00 H new ATOM 0 HH11 ARG A 142 13.513 -8.599 -0.682 1.00 0.00 H new ATOM 0 HH12 ARG A 142 14.561 -7.260 -0.202 1.00 0.00 H new ATOM 0 HH21 ARG A 142 11.956 -4.890 -0.099 1.00 0.00 H new ATOM 0 HH22 ARG A 142 13.685 -5.175 0.126 1.00 0.00 H new ATOM 2202 N LEU A 143 6.828 -10.144 1.512 1.00 0.00 N ATOM 2203 CA LEU A 143 5.704 -10.140 2.443 1.00 0.00 C ATOM 2204 C LEU A 143 4.941 -11.462 2.411 1.00 0.00 C ATOM 2205 O LEU A 143 4.678 -12.061 3.454 1.00 0.00 O ATOM 2206 CB LEU A 143 4.749 -8.985 2.125 1.00 0.00 C ATOM 2207 CG LEU A 143 5.365 -7.580 2.157 1.00 0.00 C ATOM 2208 CD1 LEU A 143 6.504 -7.500 3.164 1.00 0.00 C ATOM 2209 CD2 LEU A 143 5.849 -7.184 0.771 1.00 0.00 C ATOM 0 H LEU A 143 6.798 -9.404 0.811 1.00 0.00 H new ATOM 0 HA LEU A 143 6.112 -10.007 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 143 4.324 -9.152 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 143 3.923 -9.015 2.836 1.00 0.00 H new ATOM 0 HG LEU A 143 4.592 -6.879 2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 143 6.920 -6.493 3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 143 6.127 -7.737 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 143 7.281 -8.214 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 143 6.284 -6.185 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 143 6.603 -7.895 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 143 5.008 -7.188 0.077 1.00 0.00 H new ATOM 2221 N THR A 144 4.582 -11.911 1.210 1.00 0.00 N ATOM 2222 CA THR A 144 3.843 -13.158 1.047 1.00 0.00 C ATOM 2223 C THR A 144 4.460 -14.284 1.871 1.00 0.00 C ATOM 2224 O THR A 144 3.765 -15.203 2.305 1.00 0.00 O ATOM 2225 CB THR A 144 3.803 -13.554 -0.423 1.00 0.00 C ATOM 2226 OG1 THR A 144 5.079 -13.406 -1.019 1.00 0.00 O ATOM 2227 CG2 THR A 144 2.815 -12.746 -1.234 1.00 0.00 C ATOM 0 H THR A 144 4.792 -11.429 0.336 1.00 0.00 H new ATOM 0 HA THR A 144 2.827 -12.994 1.407 1.00 0.00 H new ATOM 0 HB THR A 144 3.485 -14.597 -0.432 1.00 0.00 H new ATOM 0 HG1 THR A 144 5.217 -12.468 -1.269 1.00 0.00 H new ATOM 0 HG21 THR A 144 2.837 -13.079 -2.272 1.00 0.00 H new ATOM 0 HG22 THR A 144 1.812 -12.885 -0.830 1.00 0.00 H new ATOM 0 HG23 THR A 144 3.082 -11.690 -1.186 1.00 0.00 H new ATOM 2235 N GLY A 145 5.770 -14.209 2.081 1.00 0.00 N ATOM 2236 CA GLY A 145 6.458 -15.230 2.851 1.00 0.00 C ATOM 2237 C GLY A 145 6.743 -14.790 4.273 1.00 0.00 C ATOM 2238 O GLY A 145 5.872 -14.862 5.139 1.00 0.00 O ATOM 0 H GLY A 145 6.368 -13.460 1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 145 5.853 -16.137 2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 145 7.396 -15.483 2.357 1.00 0.00 H new ATOM 2242 N ASP A 146 7.968 -14.333 4.514 1.00 0.00 N ATOM 2243 CA ASP A 146 8.368 -13.880 5.841 1.00 0.00 C ATOM 2244 C ASP A 146 9.714 -13.162 5.787 1.00 0.00 C ATOM 2245 O ASP A 146 10.542 -13.307 6.686 1.00 0.00 O ATOM 2246 CB ASP A 146 8.446 -15.064 6.807 1.00 0.00 C ATOM 2247 CG ASP A 146 9.191 -16.245 6.218 1.00 0.00 C ATOM 2248 OD1 ASP A 146 10.440 -16.246 6.269 1.00 0.00 O ATOM 2249 OD2 ASP A 146 8.527 -17.171 5.706 1.00 0.00 O ATOM 0 H ASP A 146 8.701 -14.267 3.807 1.00 0.00 H new ATOM 0 HA ASP A 146 7.615 -13.178 6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 146 8.941 -14.748 7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 146 7.437 -15.374 7.079 1.00 0.00 H new ATOM 2254 N ALA A 147 9.923 -12.387 4.728 1.00 0.00 N ATOM 2255 CA ALA A 147 11.165 -11.644 4.558 1.00 0.00 C ATOM 2256 C ALA A 147 11.024 -10.210 5.059 1.00 0.00 C ATOM 2257 O ALA A 147 11.779 -9.324 4.654 1.00 0.00 O ATOM 2258 CB ALA A 147 11.592 -11.657 3.098 1.00 0.00 C ATOM 0 H ALA A 147 9.248 -12.257 3.975 1.00 0.00 H new ATOM 0 HA ALA A 147 11.935 -12.133 5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 147 12.521 -11.098 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 147 11.746 -12.686 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 147 10.815 -11.196 2.488 1.00 0.00 H new ATOM 2264 N PHE A 148 10.055 -9.985 5.943 1.00 0.00 N ATOM 2265 CA PHE A 148 9.818 -8.657 6.499 1.00 0.00 C ATOM 2266 C PHE A 148 10.041 -8.656 8.007 1.00 0.00 C ATOM 2267 O PHE A 148 10.581 -7.700 8.565 1.00 0.00 O ATOM 2268 CB PHE A 148 8.396 -8.195 6.179 1.00 0.00 C ATOM 2269 CG PHE A 148 7.335 -9.138 6.665 1.00 0.00 C ATOM 2270 CD1 PHE A 148 7.001 -10.266 5.931 1.00 0.00 C ATOM 2271 CD2 PHE A 148 6.668 -8.899 7.857 1.00 0.00 C ATOM 2272 CE1 PHE A 148 6.025 -11.137 6.375 1.00 0.00 C ATOM 2273 CE2 PHE A 148 5.691 -9.767 8.307 1.00 0.00 C ATOM 2274 CZ PHE A 148 5.369 -10.887 7.565 1.00 0.00 C ATOM 0 H PHE A 148 9.422 -10.706 6.289 1.00 0.00 H new ATOM 0 HA PHE A 148 10.526 -7.965 6.044 1.00 0.00 H new ATOM 0 HB2 PHE A 148 8.232 -7.215 6.627 1.00 0.00 H new ATOM 0 HB3 PHE A 148 8.296 -8.074 5.100 1.00 0.00 H new ATOM 0 HD1 PHE A 148 7.511 -10.466 5.000 1.00 0.00 H new ATOM 0 HD2 PHE A 148 6.915 -8.024 8.441 1.00 0.00 H new ATOM 0 HE1 PHE A 148 5.775 -12.012 5.793 1.00 0.00 H new ATOM 0 HE2 PHE A 148 5.180 -9.570 9.238 1.00 0.00 H new ATOM 0 HZ PHE A 148 4.606 -11.566 7.915 1.00 0.00 H new ATOM 2284 N ARG A 149 9.620 -9.733 8.663 1.00 0.00 N ATOM 2285 CA ARG A 149 9.771 -9.863 10.102 1.00 0.00 C ATOM 2286 C ARG A 149 11.244 -9.836 10.501 1.00 0.00 C ATOM 2287 O ARG A 149 11.950 -10.836 10.372 1.00 0.00 O ATOM 2288 CB ARG A 149 9.126 -11.164 10.575 1.00 0.00 C ATOM 2289 CG ARG A 149 7.648 -11.269 10.235 1.00 0.00 C ATOM 2290 CD ARG A 149 6.897 -12.097 11.265 1.00 0.00 C ATOM 2291 NE ARG A 149 5.605 -11.507 11.605 1.00 0.00 N ATOM 2292 CZ ARG A 149 4.918 -11.807 12.707 1.00 0.00 C ATOM 2293 NH1 ARG A 149 5.397 -12.690 13.575 1.00 0.00 N ATOM 2294 NH2 ARG A 149 3.751 -11.224 12.939 1.00 0.00 N ATOM 0 H ARG A 149 9.169 -10.531 8.215 1.00 0.00 H new ATOM 0 HA ARG A 149 9.273 -9.018 10.578 1.00 0.00 H new ATOM 0 HB2 ARG A 149 9.654 -12.006 10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 149 9.249 -11.249 11.655 1.00 0.00 H new ATOM 0 HG2 ARG A 149 7.214 -10.271 10.183 1.00 0.00 H new ATOM 0 HG3 ARG A 149 7.531 -11.719 9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 149 6.745 -13.105 10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 149 7.502 -12.189 12.167 1.00 0.00 H new ATOM 0 HE ARG A 149 5.205 -10.825 10.961 1.00 0.00 H new ATOM 0 HH11 ARG A 149 6.294 -13.142 13.400 1.00 0.00 H new ATOM 0 HH12 ARG A 149 4.868 -12.916 14.417 1.00 0.00 H new ATOM 0 HH21 ARG A 149 3.379 -10.546 12.274 1.00 0.00 H new ATOM 0 HH22 ARG A 149 3.225 -11.453 13.782 1.00 0.00 H new ATOM 2308 N LYS A 150 11.703 -8.685 10.983 1.00 0.00 N ATOM 2309 CA LYS A 150 13.094 -8.530 11.398 1.00 0.00 C ATOM 2310 C LYS A 150 13.197 -8.274 12.898 1.00 0.00 C ATOM 2311 O LYS A 150 14.172 -8.667 13.536 1.00 0.00 O ATOM 2312 CB LYS A 150 13.753 -7.386 10.625 1.00 0.00 C ATOM 2313 CG LYS A 150 13.061 -6.045 10.812 1.00 0.00 C ATOM 2314 CD LYS A 150 14.063 -4.922 11.023 1.00 0.00 C ATOM 2315 CE LYS A 150 15.000 -4.778 9.833 1.00 0.00 C ATOM 2316 NZ LYS A 150 14.623 -3.628 8.965 1.00 0.00 N ATOM 0 H LYS A 150 11.133 -7.847 11.096 1.00 0.00 H new ATOM 0 HA LYS A 150 13.616 -9.460 11.175 1.00 0.00 H new ATOM 0 HB2 LYS A 150 14.792 -7.296 10.942 1.00 0.00 H new ATOM 0 HB3 LYS A 150 13.764 -7.635 9.564 1.00 0.00 H new ATOM 0 HG2 LYS A 150 12.448 -5.827 9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 150 12.388 -6.098 11.668 1.00 0.00 H new ATOM 0 HD2 LYS A 150 13.531 -3.984 11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 150 14.645 -5.117 11.924 1.00 0.00 H new ATOM 0 HE2 LYS A 150 16.021 -4.644 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 150 14.985 -5.696 9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 15.470 -3.264 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 13.929 -3.941 8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 14.206 -2.875 9.548 1.00 0.00 H new ATOM 2330 N LYS A 151 12.188 -7.612 13.457 1.00 0.00 N ATOM 2331 CA LYS A 151 12.175 -7.306 14.883 1.00 0.00 C ATOM 2332 C LYS A 151 10.792 -7.544 15.484 1.00 0.00 C ATOM 2333 O LYS A 151 10.431 -6.935 16.490 1.00 0.00 O ATOM 2334 CB LYS A 151 12.604 -5.856 15.118 1.00 0.00 C ATOM 2335 CG LYS A 151 14.066 -5.709 15.510 1.00 0.00 C ATOM 2336 CD LYS A 151 14.882 -5.061 14.402 1.00 0.00 C ATOM 2337 CE LYS A 151 15.926 -4.110 14.962 1.00 0.00 C ATOM 2338 NZ LYS A 151 17.265 -4.756 15.069 1.00 0.00 N ATOM 0 H LYS A 151 11.371 -7.278 12.945 1.00 0.00 H new ATOM 0 HA LYS A 151 12.882 -7.973 15.376 1.00 0.00 H new ATOM 0 HB2 LYS A 151 12.420 -5.280 14.211 1.00 0.00 H new ATOM 0 HB3 LYS A 151 11.981 -5.424 15.902 1.00 0.00 H new ATOM 0 HG2 LYS A 151 14.141 -5.108 16.416 1.00 0.00 H new ATOM 0 HG3 LYS A 151 14.481 -6.690 15.742 1.00 0.00 H new ATOM 0 HD2 LYS A 151 15.373 -5.834 13.811 1.00 0.00 H new ATOM 0 HD3 LYS A 151 14.218 -4.518 13.729 1.00 0.00 H new ATOM 0 HE2 LYS A 151 15.997 -3.231 14.322 1.00 0.00 H new ATOM 0 HE3 LYS A 151 15.611 -3.763 15.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 17.949 -4.075 15.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 17.203 -5.580 15.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 17.578 -5.065 14.126 1.00 0.00 H new ATOM 2352 N HIS A 152 10.025 -8.436 14.863 1.00 0.00 N ATOM 2353 CA HIS A 152 8.682 -8.755 15.338 1.00 0.00 C ATOM 2354 C HIS A 152 7.772 -7.531 15.277 1.00 0.00 C ATOM 2355 O HIS A 152 6.975 -7.386 14.348 1.00 0.00 O ATOM 2356 CB HIS A 152 8.740 -9.302 16.768 1.00 0.00 C ATOM 2357 CG HIS A 152 9.520 -10.573 16.891 1.00 0.00 C ATOM 2358 ND1 HIS A 152 8.996 -11.729 17.434 1.00 0.00 N ATOM 2359 CD2 HIS A 152 10.794 -10.870 16.538 1.00 0.00 C ATOM 2360 CE1 HIS A 152 9.915 -12.679 17.410 1.00 0.00 C ATOM 2361 NE2 HIS A 152 11.013 -12.182 16.872 1.00 0.00 N ATOM 0 H HIS A 152 10.310 -8.951 14.030 1.00 0.00 H new ATOM 0 HA HIS A 152 8.265 -9.520 14.683 1.00 0.00 H new ATOM 0 HB2 HIS A 152 9.184 -8.549 17.419 1.00 0.00 H new ATOM 0 HB3 HIS A 152 7.724 -9.473 17.124 1.00 0.00 H new ATOM 0 HD2 HIS A 152 11.505 -10.199 16.079 1.00 0.00 H new ATOM 0 HE1 HIS A 152 9.789 -13.690 17.769 1.00 0.00 H new ATOM 0 HE2 HIS A 152 11.885 -12.692 16.728 1.00 0.00 H new ATOM 2370 N LEU A 153 7.895 -6.651 16.267 1.00 0.00 N ATOM 2371 CA LEU A 153 7.083 -5.440 16.319 1.00 0.00 C ATOM 2372 C LEU A 153 5.597 -5.780 16.391 1.00 0.00 C ATOM 2373 O LEU A 153 5.175 -6.861 15.978 1.00 0.00 O ATOM 2374 CB LEU A 153 7.364 -4.560 15.098 1.00 0.00 C ATOM 2375 CG LEU A 153 7.799 -3.130 15.417 1.00 0.00 C ATOM 2376 CD1 LEU A 153 6.655 -2.353 16.050 1.00 0.00 C ATOM 2377 CD2 LEU A 153 9.014 -3.136 16.331 1.00 0.00 C ATOM 0 H LEU A 153 8.549 -6.754 17.043 1.00 0.00 H new ATOM 0 HA LEU A 153 7.351 -4.891 17.222 1.00 0.00 H new ATOM 0 HB2 LEU A 153 8.141 -5.035 14.498 1.00 0.00 H new ATOM 0 HB3 LEU A 153 6.465 -4.521 14.483 1.00 0.00 H new ATOM 0 HG LEU A 153 8.073 -2.636 14.485 1.00 0.00 H new ATOM 0 HD11 LEU A 153 6.983 -1.337 16.270 1.00 0.00 H new ATOM 0 HD12 LEU A 153 5.812 -2.320 15.360 1.00 0.00 H new ATOM 0 HD13 LEU A 153 6.349 -2.844 16.974 1.00 0.00 H new ATOM 0 HD21 LEU A 153 9.311 -2.110 16.548 1.00 0.00 H new ATOM 0 HD22 LEU A 153 8.767 -3.647 17.261 1.00 0.00 H new ATOM 0 HD23 LEU A 153 9.837 -3.655 15.839 1.00 0.00 H new ATOM 2389 N GLU A 154 4.808 -4.849 16.918 1.00 0.00 N ATOM 2390 CA GLU A 154 3.368 -5.048 17.044 1.00 0.00 C ATOM 2391 C GLU A 154 3.059 -6.270 17.903 1.00 0.00 C ATOM 2392 O GLU A 154 3.964 -6.916 18.430 1.00 0.00 O ATOM 2393 CB GLU A 154 2.733 -5.208 15.661 1.00 0.00 C ATOM 2394 CG GLU A 154 2.814 -3.952 14.806 1.00 0.00 C ATOM 2395 CD GLU A 154 3.844 -4.067 13.700 1.00 0.00 C ATOM 2396 OE1 GLU A 154 3.750 -5.017 12.895 1.00 0.00 O ATOM 2397 OE2 GLU A 154 4.746 -3.204 13.638 1.00 0.00 O ATOM 0 H GLU A 154 5.141 -3.949 17.265 1.00 0.00 H new ATOM 0 HA GLU A 154 2.946 -4.169 17.532 1.00 0.00 H new ATOM 0 HB2 GLU A 154 3.225 -6.027 15.137 1.00 0.00 H new ATOM 0 HB3 GLU A 154 1.687 -5.489 15.781 1.00 0.00 H new ATOM 0 HG2 GLU A 154 1.836 -3.751 14.368 1.00 0.00 H new ATOM 0 HG3 GLU A 154 3.060 -3.100 15.440 1.00 0.00 H new ATOM 2404 N ASP A 155 1.773 -6.580 18.038 1.00 0.00 N ATOM 2405 CA ASP A 155 1.342 -7.725 18.835 1.00 0.00 C ATOM 2406 C ASP A 155 1.718 -7.541 20.302 1.00 0.00 C ATOM 2407 O ASP A 155 2.886 -7.654 20.673 1.00 0.00 O ATOM 2408 CB ASP A 155 1.963 -9.015 18.292 1.00 0.00 C ATOM 2409 CG ASP A 155 0.950 -10.136 18.166 1.00 0.00 C ATOM 2410 OD1 ASP A 155 0.646 -10.780 19.193 1.00 0.00 O ATOM 2411 OD2 ASP A 155 0.460 -10.370 17.042 1.00 0.00 O ATOM 0 H ASP A 155 1.012 -6.056 17.607 1.00 0.00 H new ATOM 0 HA ASP A 155 0.257 -7.796 18.765 1.00 0.00 H new ATOM 0 HB2 ASP A 155 2.407 -8.819 17.316 1.00 0.00 H new ATOM 0 HB3 ASP A 155 2.771 -9.332 18.952 1.00 0.00 H new ATOM 2416 N GLU A 156 0.719 -7.257 21.131 1.00 0.00 N ATOM 2417 CA GLU A 156 0.945 -7.056 22.559 1.00 0.00 C ATOM 2418 C GLU A 156 0.029 -7.954 23.385 1.00 0.00 C ATOM 2419 O GLU A 156 0.491 -8.715 24.236 1.00 0.00 O ATOM 2420 CB GLU A 156 0.715 -5.591 22.932 1.00 0.00 C ATOM 2421 CG GLU A 156 1.971 -4.739 22.852 1.00 0.00 C ATOM 2422 CD GLU A 156 2.430 -4.511 21.426 1.00 0.00 C ATOM 2423 OE1 GLU A 156 1.812 -3.679 20.728 1.00 0.00 O ATOM 2424 OE2 GLU A 156 3.408 -5.166 21.004 1.00 0.00 O ATOM 0 H GLU A 156 -0.254 -7.161 20.840 1.00 0.00 H new ATOM 0 HA GLU A 156 1.979 -7.321 22.779 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -0.042 -5.171 22.270 1.00 0.00 H new ATOM 0 HB3 GLU A 156 0.316 -5.541 23.945 1.00 0.00 H new ATOM 0 HG2 GLU A 156 1.784 -3.776 23.328 1.00 0.00 H new ATOM 0 HG3 GLU A 156 2.770 -5.222 23.414 1.00 0.00 H new ATOM 2431 N LEU A 157 -1.272 -7.859 23.129 1.00 0.00 N ATOM 2432 CA LEU A 157 -2.252 -8.661 23.850 1.00 0.00 C ATOM 2433 C LEU A 157 -2.211 -8.358 25.345 1.00 0.00 C ATOM 2434 O LEU A 157 -3.111 -7.637 25.826 1.00 0.00 O ATOM 2435 CB LEU A 157 -1.998 -10.153 23.609 1.00 0.00 C ATOM 2436 CG LEU A 157 -3.078 -10.870 22.795 1.00 0.00 C ATOM 2437 CD1 LEU A 157 -4.419 -10.794 23.506 1.00 0.00 C ATOM 2438 CD2 LEU A 157 -3.176 -10.273 21.400 1.00 0.00 C ATOM 2439 OXT LEU A 157 -1.280 -8.844 26.021 1.00 0.00 O ATOM 0 H LEU A 157 -1.671 -7.235 22.428 1.00 0.00 H new ATOM 0 HA LEU A 157 -3.243 -8.404 23.475 1.00 0.00 H new ATOM 0 HB2 LEU A 157 -1.043 -10.265 23.096 1.00 0.00 H new ATOM 0 HB3 LEU A 157 -1.902 -10.650 24.574 1.00 0.00 H new ATOM 0 HG LEU A 157 -2.800 -11.920 22.700 1.00 0.00 H new ATOM 0 HD11 LEU A 157 -5.175 -11.309 22.913 1.00 0.00 H new ATOM 0 HD12 LEU A 157 -4.340 -11.269 24.484 1.00 0.00 H new ATOM 0 HD13 LEU A 157 -4.706 -9.750 23.632 1.00 0.00 H new ATOM 0 HD21 LEU A 157 -3.948 -10.794 20.835 1.00 0.00 H new ATOM 0 HD22 LEU A 157 -3.431 -9.216 21.474 1.00 0.00 H new ATOM 0 HD23 LEU A 157 -2.219 -10.380 20.890 1.00 0.00 H new TER 2451 LEU A 157