USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 973 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 90 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= -0.554 USER MOD Set 2.2: A 71 ASN : amide:sc= -3.61! C(o=-4.2!,f=-11!) USER MOD Set 3.1: A 20 GLN : amide:sc= 1.13 K(o=2.8,f=0.51) USER MOD Set 3.2: A 29 SER OG : rot -7:sc= 1.64! USER MOD Set 4.1: A 16 MET CE :methyl 166:sc= -5.72! (180deg=-4.98!) USER MOD Set 4.2: A 53 MET CE :methyl -129:sc= -2.35 (180deg=-7.28!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 79:sc= 1.01 USER MOD Single : A 9 GLN : amide:sc= -0.1 K(o=-0.1,f=-1.2!) USER MOD Single : A 13 ASN : amide:sc= -0.0699 K(o=-0.07,f=-0.73) USER MOD Single : A 14 GLN : amide:sc= -0.0884 X(o=-0.088,f=-0.077) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 120:sc= -0.812 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 40 TYR OH : rot 165:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.037) USER MOD Single : A 48 MET CE :methyl -165:sc= 0 (180deg=-0.0808) USER MOD Single : A 51 SER OG : rot 160:sc= -0.515 USER MOD Single : A 52 THR OG1 : rot -160:sc= 0.0873 USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0313) USER MOD Single : A 56 LYS NZ :NH3+ -126:sc= 0.155 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= -0.0887 (180deg=-0.458) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.23) USER MOD Single : A 63 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.2) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -164:sc= -4.12 (180deg=-5.1!) USER MOD Single : A 76 CYS SG : rot 105:sc= 0.293 USER MOD Single : A 77 THR OG1 : rot 74:sc= 0.388 USER MOD Single : A 78 ASN :FLIP amide:sc= -7.71! C(o=-8.9!,f=-7.7!) USER MOD Single : A 80 MET CE :methyl 147:sc= -0.867 (180deg=-2.32) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.0225 X(o=0.022,f=-0.27) USER MOD Single : A 84 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00827) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 73:sc= 0.105 USER MOD Single : A 101 MET CE :methyl 151:sc= -0.25 (180deg=-0.944) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -40:sc= 0.802 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 112 HIS : no HD1:sc=-0.00361 K(o=-0.0036,f=-1.1) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= -0.0175 K(o=-0.018,f=-0.65) USER MOD Single : A 115 HIS : no HE2:sc= 0.0589 K(o=0.059,f=-1.1) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -5.050 -32.099 -4.695 1.00 0.00 N ATOM 2 CA MET A 0 -5.387 -30.888 -5.496 1.00 0.00 C ATOM 3 C MET A 0 -4.637 -29.660 -4.983 1.00 0.00 C ATOM 4 O MET A 0 -3.754 -29.138 -5.663 1.00 0.00 O ATOM 5 CB MET A 0 -6.902 -30.659 -5.433 1.00 0.00 C ATOM 6 CG MET A 0 -7.688 -31.520 -6.410 1.00 0.00 C ATOM 7 SD MET A 0 -7.425 -31.033 -8.124 1.00 0.00 S ATOM 8 CE MET A 0 -7.122 -32.623 -8.890 1.00 0.00 C ATOM 0 H1 MET A 0 -5.574 -32.917 -5.066 1.00 0.00 H new ATOM 0 H2 MET A 0 -4.029 -32.284 -4.758 1.00 0.00 H new ATOM 0 H3 MET A 0 -5.312 -31.942 -3.701 1.00 0.00 H new ATOM 0 HA MET A 0 -5.081 -31.047 -6.530 1.00 0.00 H new ATOM 0 HB2 MET A 0 -7.250 -30.863 -4.420 1.00 0.00 H new ATOM 0 HB3 MET A 0 -7.111 -29.609 -5.637 1.00 0.00 H new ATOM 0 HG2 MET A 0 -7.399 -32.563 -6.284 1.00 0.00 H new ATOM 0 HG3 MET A 0 -8.750 -31.453 -6.175 1.00 0.00 H new ATOM 0 HE1 MET A 0 -6.942 -32.485 -9.956 1.00 0.00 H new ATOM 0 HE2 MET A 0 -6.249 -33.087 -8.431 1.00 0.00 H new ATOM 0 HE3 MET A 0 -7.991 -33.266 -8.749 1.00 0.00 H new ATOM 20 N GLU A 1 -4.990 -29.213 -3.775 1.00 0.00 N ATOM 21 CA GLU A 1 -4.350 -28.052 -3.155 1.00 0.00 C ATOM 22 C GLU A 1 -4.579 -26.778 -3.972 1.00 0.00 C ATOM 23 O GLU A 1 -3.739 -26.385 -4.782 1.00 0.00 O ATOM 24 CB GLU A 1 -2.848 -28.297 -2.972 1.00 0.00 C ATOM 25 CG GLU A 1 -2.332 -27.906 -1.596 1.00 0.00 C ATOM 26 CD GLU A 1 -1.394 -26.715 -1.641 1.00 0.00 C ATOM 27 OE1 GLU A 1 -0.379 -26.785 -2.367 1.00 0.00 O ATOM 28 OE2 GLU A 1 -1.672 -25.713 -0.951 1.00 0.00 O ATOM 0 H GLU A 1 -5.720 -29.641 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 1 -4.809 -27.911 -2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -2.637 -29.352 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -2.301 -27.735 -3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -3.177 -27.674 -0.948 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -1.813 -28.756 -1.152 1.00 0.00 H new ATOM 35 N GLU A 2 -5.723 -26.135 -3.743 1.00 0.00 N ATOM 36 CA GLU A 2 -6.064 -24.899 -4.445 1.00 0.00 C ATOM 37 C GLU A 2 -6.769 -23.911 -3.510 1.00 0.00 C ATOM 38 O GLU A 2 -7.573 -23.089 -3.956 1.00 0.00 O ATOM 39 CB GLU A 2 -6.952 -25.205 -5.656 1.00 0.00 C ATOM 40 CG GLU A 2 -6.193 -25.283 -6.973 1.00 0.00 C ATOM 41 CD GLU A 2 -6.483 -26.559 -7.742 1.00 0.00 C ATOM 42 OE1 GLU A 2 -7.667 -26.945 -7.836 1.00 0.00 O ATOM 43 OE2 GLU A 2 -5.522 -27.174 -8.254 1.00 0.00 O ATOM 0 H GLU A 2 -6.429 -26.449 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.138 -24.439 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.466 -26.151 -5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.720 -24.435 -5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.456 -24.424 -7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.123 -25.218 -6.775 1.00 0.00 H new ATOM 50 N VAL A 3 -6.463 -23.990 -2.213 1.00 0.00 N ATOM 51 CA VAL A 3 -7.072 -23.096 -1.227 1.00 0.00 C ATOM 52 C VAL A 3 -6.038 -22.216 -0.523 1.00 0.00 C ATOM 53 O VAL A 3 -6.402 -21.358 0.282 1.00 0.00 O ATOM 54 CB VAL A 3 -7.865 -23.871 -0.154 1.00 0.00 C ATOM 55 CG1 VAL A 3 -9.283 -24.145 -0.629 1.00 0.00 C ATOM 56 CG2 VAL A 3 -7.156 -25.164 0.230 1.00 0.00 C ATOM 0 H VAL A 3 -5.801 -24.660 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.753 -22.462 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.920 -23.249 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.826 -24.692 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.789 -23.200 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.252 -24.739 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.739 -25.688 0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.053 -25.798 -0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.168 -24.933 0.628 1.00 0.00 H new ATOM 66 N GLU A 4 -4.756 -22.421 -0.821 1.00 0.00 N ATOM 67 CA GLU A 4 -3.691 -21.631 -0.204 1.00 0.00 C ATOM 68 C GLU A 4 -3.709 -20.175 -0.685 1.00 0.00 C ATOM 69 O GLU A 4 -3.063 -19.314 -0.086 1.00 0.00 O ATOM 70 CB GLU A 4 -2.321 -22.251 -0.496 1.00 0.00 C ATOM 71 CG GLU A 4 -1.653 -22.856 0.728 1.00 0.00 C ATOM 72 CD GLU A 4 -0.358 -22.155 1.090 1.00 0.00 C ATOM 73 OE1 GLU A 4 0.601 -22.230 0.293 1.00 0.00 O ATOM 74 OE2 GLU A 4 -0.305 -21.528 2.169 1.00 0.00 O ATOM 0 H GLU A 4 -4.430 -23.125 -1.483 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.870 -21.636 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.436 -23.024 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.667 -21.486 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.338 -22.805 1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.452 -23.911 0.544 1.00 0.00 H new ATOM 81 N GLN A 5 -4.445 -19.904 -1.765 1.00 0.00 N ATOM 82 CA GLN A 5 -4.536 -18.550 -2.313 1.00 0.00 C ATOM 83 C GLN A 5 -5.510 -17.680 -1.515 1.00 0.00 C ATOM 84 O GLN A 5 -5.354 -16.459 -1.459 1.00 0.00 O ATOM 85 CB GLN A 5 -4.970 -18.599 -3.780 1.00 0.00 C ATOM 86 CG GLN A 5 -4.088 -19.486 -4.647 1.00 0.00 C ATOM 87 CD GLN A 5 -4.822 -20.033 -5.856 1.00 0.00 C ATOM 88 OE1 GLN A 5 -5.463 -19.289 -6.598 1.00 0.00 O ATOM 89 NE2 GLN A 5 -4.733 -21.343 -6.062 1.00 0.00 N ATOM 0 H GLN A 5 -4.985 -20.602 -2.276 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.545 -18.101 -2.241 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.998 -18.958 -3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.964 -17.587 -4.186 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.221 -18.916 -4.980 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.713 -20.316 -4.048 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.191 -21.924 -5.422 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.207 -21.767 -6.860 1.00 0.00 H new ATOM 98 N THR A 6 -6.515 -18.307 -0.901 1.00 0.00 N ATOM 99 CA THR A 6 -7.509 -17.578 -0.114 1.00 0.00 C ATOM 100 C THR A 6 -6.866 -16.873 1.087 1.00 0.00 C ATOM 101 O THR A 6 -7.052 -15.670 1.269 1.00 0.00 O ATOM 102 CB THR A 6 -8.633 -18.511 0.357 1.00 0.00 C ATOM 103 OG1 THR A 6 -8.596 -19.744 -0.339 1.00 0.00 O ATOM 104 CG2 THR A 6 -10.011 -17.918 0.165 1.00 0.00 C ATOM 0 H THR A 6 -6.661 -19.316 -0.934 1.00 0.00 H new ATOM 0 HA THR A 6 -7.941 -16.817 -0.764 1.00 0.00 H new ATOM 0 HB THR A 6 -8.457 -18.660 1.422 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.896 -20.314 0.043 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.763 -18.624 0.516 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.090 -16.991 0.733 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.174 -17.711 -0.893 1.00 0.00 H new ATOM 112 N PRO A 7 -6.097 -17.609 1.923 1.00 0.00 N ATOM 113 CA PRO A 7 -5.429 -17.036 3.102 1.00 0.00 C ATOM 114 C PRO A 7 -4.620 -15.782 2.780 1.00 0.00 C ATOM 115 O PRO A 7 -4.514 -14.876 3.607 1.00 0.00 O ATOM 116 CB PRO A 7 -4.497 -18.157 3.557 1.00 0.00 C ATOM 117 CG PRO A 7 -5.152 -19.405 3.085 1.00 0.00 C ATOM 118 CD PRO A 7 -5.816 -19.052 1.784 1.00 0.00 C ATOM 0 HA PRO A 7 -6.151 -16.718 3.854 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.502 -18.044 3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -4.377 -18.158 4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.421 -20.202 2.947 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.881 -19.763 3.812 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.166 -19.254 0.933 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.730 -19.626 1.630 1.00 0.00 H new ATOM 126 N LEU A 8 -4.052 -15.735 1.571 1.00 0.00 N ATOM 127 CA LEU A 8 -3.252 -14.588 1.137 1.00 0.00 C ATOM 128 C LEU A 8 -4.063 -13.294 1.223 1.00 0.00 C ATOM 129 O LEU A 8 -3.526 -12.241 1.572 1.00 0.00 O ATOM 130 CB LEU A 8 -2.755 -14.792 -0.299 1.00 0.00 C ATOM 131 CG LEU A 8 -1.486 -15.639 -0.438 1.00 0.00 C ATOM 132 CD1 LEU A 8 -1.423 -16.281 -1.819 1.00 0.00 C ATOM 133 CD2 LEU A 8 -0.250 -14.790 -0.184 1.00 0.00 C ATOM 0 H LEU A 8 -4.132 -16.478 0.877 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.393 -14.508 1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.550 -15.261 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.570 -13.814 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.516 -16.433 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.515 -16.879 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.294 -16.921 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.415 -15.503 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.643 -15.407 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.213 -13.975 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.292 -14.378 0.824 1.00 0.00 H new ATOM 145 N GLN A 9 -5.357 -13.382 0.914 1.00 0.00 N ATOM 146 CA GLN A 9 -6.243 -12.220 0.967 1.00 0.00 C ATOM 147 C GLN A 9 -6.380 -11.705 2.400 1.00 0.00 C ATOM 148 O GLN A 9 -6.341 -10.498 2.640 1.00 0.00 O ATOM 149 CB GLN A 9 -7.622 -12.579 0.408 1.00 0.00 C ATOM 150 CG GLN A 9 -8.324 -11.420 -0.281 1.00 0.00 C ATOM 151 CD GLN A 9 -9.751 -11.228 0.199 1.00 0.00 C ATOM 152 OE1 GLN A 9 -10.075 -11.509 1.353 1.00 0.00 O ATOM 153 NE2 GLN A 9 -10.617 -10.744 -0.686 1.00 0.00 N ATOM 0 H GLN A 9 -5.815 -14.246 0.624 1.00 0.00 H new ATOM 0 HA GLN A 9 -5.805 -11.431 0.356 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.514 -13.400 -0.301 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.251 -12.941 1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.760 -10.504 -0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.327 -11.591 -1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.309 -10.524 -1.633 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.590 -10.593 -0.418 1.00 0.00 H new ATOM 162 N GLU A 10 -6.538 -12.631 3.349 1.00 0.00 N ATOM 163 CA GLU A 10 -6.673 -12.275 4.760 1.00 0.00 C ATOM 164 C GLU A 10 -5.425 -11.550 5.260 1.00 0.00 C ATOM 165 O GLU A 10 -5.523 -10.514 5.921 1.00 0.00 O ATOM 166 CB GLU A 10 -6.925 -13.529 5.605 1.00 0.00 C ATOM 167 CG GLU A 10 -7.384 -13.227 7.024 1.00 0.00 C ATOM 168 CD GLU A 10 -8.834 -13.598 7.263 1.00 0.00 C ATOM 169 OE1 GLU A 10 -9.142 -14.809 7.293 1.00 0.00 O ATOM 170 OE2 GLU A 10 -9.663 -12.678 7.421 1.00 0.00 O ATOM 0 H GLU A 10 -6.575 -13.633 3.164 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.526 -11.603 4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.678 -14.144 5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.009 -14.119 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.754 -13.770 7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.247 -12.165 7.227 1.00 0.00 H new ATOM 177 N ALA A 11 -4.251 -12.097 4.932 1.00 0.00 N ATOM 178 CA ALA A 11 -2.980 -11.498 5.337 1.00 0.00 C ATOM 179 C ALA A 11 -2.827 -10.102 4.742 1.00 0.00 C ATOM 180 O ALA A 11 -2.385 -9.172 5.422 1.00 0.00 O ATOM 181 CB ALA A 11 -1.813 -12.385 4.917 1.00 0.00 C ATOM 0 H ALA A 11 -4.156 -12.954 4.387 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.976 -11.410 6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.875 -11.923 5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.910 -13.362 5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.818 -12.504 3.834 1.00 0.00 H new ATOM 187 N LEU A 12 -3.201 -9.960 3.470 1.00 0.00 N ATOM 188 CA LEU A 12 -3.115 -8.674 2.781 1.00 0.00 C ATOM 189 C LEU A 12 -3.995 -7.629 3.467 1.00 0.00 C ATOM 190 O LEU A 12 -3.566 -6.496 3.688 1.00 0.00 O ATOM 191 CB LEU A 12 -3.521 -8.824 1.312 1.00 0.00 C ATOM 192 CG LEU A 12 -2.549 -8.203 0.305 1.00 0.00 C ATOM 193 CD1 LEU A 12 -2.478 -9.044 -0.962 1.00 0.00 C ATOM 194 CD2 LEU A 12 -2.958 -6.771 -0.018 1.00 0.00 C ATOM 0 H LEU A 12 -3.566 -10.720 2.897 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.080 -8.335 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.626 -9.885 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.503 -8.370 1.174 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.556 -8.182 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.782 -8.586 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.134 -10.048 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.467 -9.101 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.256 -6.345 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.961 -6.767 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.950 -6.176 0.895 1.00 0.00 H new ATOM 206 N ASN A 13 -5.226 -8.020 3.806 1.00 0.00 N ATOM 207 CA ASN A 13 -6.164 -7.118 4.477 1.00 0.00 C ATOM 208 C ASN A 13 -5.591 -6.627 5.805 1.00 0.00 C ATOM 209 O ASN A 13 -5.801 -5.479 6.192 1.00 0.00 O ATOM 210 CB ASN A 13 -7.504 -7.819 4.716 1.00 0.00 C ATOM 211 CG ASN A 13 -8.404 -7.790 3.493 1.00 0.00 C ATOM 212 OD1 ASN A 13 -8.483 -6.782 2.790 1.00 0.00 O ATOM 213 ND2 ASN A 13 -9.093 -8.896 3.237 1.00 0.00 N ATOM 0 H ASN A 13 -5.596 -8.954 3.627 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.325 -6.257 3.828 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.322 -8.854 5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.016 -7.341 5.551 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.718 -8.933 2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.998 -9.709 3.846 1.00 0.00 H new ATOM 220 N GLN A 14 -4.860 -7.505 6.493 1.00 0.00 N ATOM 221 CA GLN A 14 -4.246 -7.160 7.773 1.00 0.00 C ATOM 222 C GLN A 14 -3.190 -6.073 7.585 1.00 0.00 C ATOM 223 O GLN A 14 -3.129 -5.118 8.359 1.00 0.00 O ATOM 224 CB GLN A 14 -3.618 -8.402 8.414 1.00 0.00 C ATOM 225 CG GLN A 14 -3.664 -8.393 9.935 1.00 0.00 C ATOM 226 CD GLN A 14 -5.066 -8.584 10.487 1.00 0.00 C ATOM 227 OE1 GLN A 14 -5.589 -7.722 11.191 1.00 0.00 O ATOM 228 NE2 GLN A 14 -5.685 -9.718 10.170 1.00 0.00 N ATOM 0 H GLN A 14 -4.679 -8.460 6.184 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.023 -6.778 8.435 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.135 -9.290 8.049 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.580 -8.482 8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.018 -9.183 10.317 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.261 -7.448 10.300 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.216 -10.408 9.583 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.628 -9.897 10.514 1.00 0.00 H new ATOM 237 N LEU A 15 -2.370 -6.218 6.542 1.00 0.00 N ATOM 238 CA LEU A 15 -1.327 -5.240 6.238 1.00 0.00 C ATOM 239 C LEU A 15 -1.937 -3.850 6.064 1.00 0.00 C ATOM 240 O LEU A 15 -1.431 -2.866 6.607 1.00 0.00 O ATOM 241 CB LEU A 15 -0.562 -5.651 4.970 1.00 0.00 C ATOM 242 CG LEU A 15 0.382 -4.586 4.397 1.00 0.00 C ATOM 243 CD1 LEU A 15 1.627 -5.231 3.805 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.334 -3.746 3.347 1.00 0.00 C ATOM 0 H LEU A 15 -2.409 -7.005 5.894 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.626 -5.210 7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.019 -6.546 5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.286 -5.922 4.201 1.00 0.00 H new ATOM 0 HG LEU A 15 0.691 -3.931 5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.282 -4.457 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.153 -5.786 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.338 -5.912 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.351 -2.996 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.674 -4.390 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.192 -3.250 3.801 1.00 0.00 H new ATOM 256 N MET A 16 -3.035 -3.782 5.307 1.00 0.00 N ATOM 257 CA MET A 16 -3.729 -2.517 5.064 1.00 0.00 C ATOM 258 C MET A 16 -4.221 -1.907 6.376 1.00 0.00 C ATOM 259 O MET A 16 -4.106 -0.700 6.586 1.00 0.00 O ATOM 260 CB MET A 16 -4.918 -2.724 4.117 1.00 0.00 C ATOM 261 CG MET A 16 -4.561 -3.442 2.824 1.00 0.00 C ATOM 262 SD MET A 16 -3.154 -2.701 1.973 1.00 0.00 S ATOM 263 CE MET A 16 -3.699 -1.001 1.836 1.00 0.00 C ATOM 0 H MET A 16 -3.462 -4.589 4.852 1.00 0.00 H new ATOM 0 HA MET A 16 -3.019 -1.833 4.600 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.688 -3.294 4.637 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.349 -1.753 3.874 1.00 0.00 H new ATOM 0 HG2 MET A 16 -4.337 -4.486 3.044 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.425 -3.435 2.160 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.854 -0.369 1.563 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.470 -0.927 1.069 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.105 -0.671 2.792 1.00 0.00 H new ATOM 273 N ARG A 17 -4.768 -2.750 7.253 1.00 0.00 N ATOM 274 CA ARG A 17 -5.276 -2.289 8.545 1.00 0.00 C ATOM 275 C ARG A 17 -4.135 -1.796 9.433 1.00 0.00 C ATOM 276 O ARG A 17 -4.234 -0.730 10.040 1.00 0.00 O ATOM 277 CB ARG A 17 -6.052 -3.405 9.256 1.00 0.00 C ATOM 278 CG ARG A 17 -7.041 -4.134 8.360 1.00 0.00 C ATOM 279 CD ARG A 17 -8.478 -3.915 8.807 1.00 0.00 C ATOM 280 NE ARG A 17 -9.438 -4.297 7.772 1.00 0.00 N ATOM 281 CZ ARG A 17 -9.688 -5.559 7.410 1.00 0.00 C ATOM 282 NH1 ARG A 17 -9.052 -6.572 7.998 1.00 0.00 N ATOM 283 NH2 ARG A 17 -10.578 -5.811 6.456 1.00 0.00 N ATOM 0 H ARG A 17 -4.870 -3.752 7.093 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.956 -1.457 8.358 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.342 -4.127 9.660 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.590 -2.978 10.102 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.924 -3.789 7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.818 -5.201 8.365 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.669 -4.494 9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.621 -2.866 9.065 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.949 -3.553 7.296 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.367 -6.388 8.731 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.250 -7.532 7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.069 -5.042 6.001 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.770 -6.774 6.179 1.00 0.00 H new ATOM 297 N GLN A 18 -3.051 -2.571 9.497 1.00 0.00 N ATOM 298 CA GLN A 18 -1.890 -2.199 10.307 1.00 0.00 C ATOM 299 C GLN A 18 -1.315 -0.864 9.839 1.00 0.00 C ATOM 300 O GLN A 18 -0.995 0.002 10.653 1.00 0.00 O ATOM 301 CB GLN A 18 -0.812 -3.287 10.237 1.00 0.00 C ATOM 302 CG GLN A 18 -0.567 -3.985 11.567 1.00 0.00 C ATOM 303 CD GLN A 18 -1.257 -5.334 11.651 1.00 0.00 C ATOM 304 OE1 GLN A 18 -2.328 -5.459 12.240 1.00 0.00 O ATOM 305 NE2 GLN A 18 -0.642 -6.354 11.060 1.00 0.00 N ATOM 0 H GLN A 18 -2.953 -3.456 9.000 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.217 -2.097 11.342 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.104 -4.030 9.494 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.121 -2.841 9.892 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.505 -4.119 11.711 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -0.920 -3.349 12.378 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.247 -6.206 10.582 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.059 -7.285 11.085 1.00 0.00 H new ATOM 314 N LEU A 19 -1.192 -0.704 8.521 1.00 0.00 N ATOM 315 CA LEU A 19 -0.662 0.527 7.941 1.00 0.00 C ATOM 316 C LEU A 19 -1.648 1.685 8.118 1.00 0.00 C ATOM 317 O LEU A 19 -1.240 2.822 8.356 1.00 0.00 O ATOM 318 CB LEU A 19 -0.350 0.323 6.458 1.00 0.00 C ATOM 319 CG LEU A 19 1.004 -0.331 6.165 1.00 0.00 C ATOM 320 CD1 LEU A 19 0.917 -1.224 4.934 1.00 0.00 C ATOM 321 CD2 LEU A 19 2.077 0.731 5.979 1.00 0.00 C ATOM 0 H LEU A 19 -1.453 -1.413 7.836 1.00 0.00 H new ATOM 0 HA LEU A 19 0.259 0.780 8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.136 -0.291 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.385 1.291 5.958 1.00 0.00 H new ATOM 0 HG LEU A 19 1.276 -0.953 7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.890 -1.678 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.178 -2.007 5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.621 -0.627 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.033 0.250 5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.808 1.378 5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.160 1.327 6.888 1.00 0.00 H new ATOM 333 N GLN A 20 -2.945 1.387 8.007 1.00 0.00 N ATOM 334 CA GLN A 20 -3.987 2.402 8.164 1.00 0.00 C ATOM 335 C GLN A 20 -4.047 2.904 9.609 1.00 0.00 C ATOM 336 O GLN A 20 -4.292 4.085 9.855 1.00 0.00 O ATOM 337 CB GLN A 20 -5.351 1.842 7.743 1.00 0.00 C ATOM 338 CG GLN A 20 -5.641 1.995 6.256 1.00 0.00 C ATOM 339 CD GLN A 20 -7.095 1.726 5.907 1.00 0.00 C ATOM 340 OE1 GLN A 20 -7.621 0.647 6.177 1.00 0.00 O ATOM 341 NE2 GLN A 20 -7.753 2.711 5.302 1.00 0.00 N ATOM 0 H GLN A 20 -3.298 0.451 7.809 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.738 3.243 7.517 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.398 0.785 8.007 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.133 2.347 8.311 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.378 3.005 5.942 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.005 1.311 5.695 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.279 3.590 5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.732 2.587 5.044 1.00 0.00 H new ATOM 350 N ARG A 21 -3.828 1.999 10.563 1.00 0.00 N ATOM 351 CA ARG A 21 -3.856 2.352 11.983 1.00 0.00 C ATOM 352 C ARG A 21 -2.596 3.121 12.405 1.00 0.00 C ATOM 353 O ARG A 21 -2.579 3.745 13.466 1.00 0.00 O ATOM 354 CB ARG A 21 -4.021 1.095 12.845 1.00 0.00 C ATOM 355 CG ARG A 21 -5.379 1.000 13.528 1.00 0.00 C ATOM 356 CD ARG A 21 -5.605 -0.370 14.153 1.00 0.00 C ATOM 357 NE ARG A 21 -6.001 -0.278 15.560 1.00 0.00 N ATOM 358 CZ ARG A 21 -7.237 0.027 15.975 1.00 0.00 C ATOM 359 NH1 ARG A 21 -8.207 0.272 15.096 1.00 0.00 N ATOM 360 NH2 ARG A 21 -7.504 0.083 17.277 1.00 0.00 N ATOM 0 H ARG A 21 -3.629 1.016 10.378 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.713 3.008 12.139 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.875 0.214 12.220 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.239 1.080 13.605 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.452 1.767 14.299 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.166 1.202 12.801 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.377 -0.900 13.594 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.692 -0.959 14.072 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.290 -0.458 16.269 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.012 0.228 14.096 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.145 0.503 15.423 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.768 -0.106 17.957 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.445 0.315 17.595 1.00 0.00 H new ATOM 374 N LYS A 22 -1.543 3.066 11.579 1.00 0.00 N ATOM 375 CA LYS A 22 -0.286 3.755 11.883 1.00 0.00 C ATOM 376 C LYS A 22 -0.526 5.239 12.196 1.00 0.00 C ATOM 377 O LYS A 22 -0.437 5.644 13.354 1.00 0.00 O ATOM 378 CB LYS A 22 0.699 3.609 10.714 1.00 0.00 C ATOM 379 CG LYS A 22 2.091 3.161 11.137 1.00 0.00 C ATOM 380 CD LYS A 22 3.118 4.265 10.948 1.00 0.00 C ATOM 381 CE LYS A 22 3.262 5.114 12.204 1.00 0.00 C ATOM 382 NZ LYS A 22 4.355 4.623 13.092 1.00 0.00 N ATOM 0 H LYS A 22 -1.538 2.552 10.698 1.00 0.00 H new ATOM 0 HA LYS A 22 0.146 3.290 12.769 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.297 2.890 10.000 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.777 4.564 10.195 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.073 2.856 12.183 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.385 2.287 10.555 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.082 3.826 10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.823 4.898 10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.462 6.147 11.921 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.320 5.110 12.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.417 5.230 13.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.152 3.646 13.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.259 4.650 12.578 1.00 0.00 H new ATOM 396 N ASP A 23 -0.835 6.035 11.159 1.00 0.00 N ATOM 397 CA ASP A 23 -1.097 7.476 11.316 1.00 0.00 C ATOM 398 C ASP A 23 -0.994 8.214 9.983 1.00 0.00 C ATOM 399 O ASP A 23 -1.931 8.892 9.561 1.00 0.00 O ATOM 400 CB ASP A 23 -0.137 8.121 12.329 1.00 0.00 C ATOM 401 CG ASP A 23 -0.831 8.543 13.613 1.00 0.00 C ATOM 402 OD1 ASP A 23 -1.937 9.119 13.531 1.00 0.00 O ATOM 403 OD2 ASP A 23 -0.265 8.300 14.698 1.00 0.00 O ATOM 0 H ASP A 23 -0.910 5.703 10.198 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.116 7.564 11.692 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.660 7.416 12.567 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.334 8.992 11.873 1.00 0.00 H new ATOM 408 N PRO A 24 0.158 8.086 9.310 1.00 0.00 N ATOM 409 CA PRO A 24 0.418 8.735 8.016 1.00 0.00 C ATOM 410 C PRO A 24 -0.578 8.331 6.931 1.00 0.00 C ATOM 411 O PRO A 24 -0.762 9.056 5.952 1.00 0.00 O ATOM 412 CB PRO A 24 1.825 8.254 7.649 1.00 0.00 C ATOM 413 CG PRO A 24 2.431 7.820 8.938 1.00 0.00 C ATOM 414 CD PRO A 24 1.304 7.292 9.765 1.00 0.00 C ATOM 0 HA PRO A 24 0.323 9.818 8.091 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.787 7.432 6.934 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.407 9.052 7.188 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.188 7.053 8.775 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.925 8.654 9.438 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.147 6.226 9.599 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.489 7.425 10.831 1.00 0.00 H new ATOM 422 N SER A 25 -1.219 7.176 7.105 1.00 0.00 N ATOM 423 CA SER A 25 -2.197 6.687 6.137 1.00 0.00 C ATOM 424 C SER A 25 -3.311 7.709 5.913 1.00 0.00 C ATOM 425 O SER A 25 -3.797 7.862 4.797 1.00 0.00 O ATOM 426 CB SER A 25 -2.808 5.368 6.610 1.00 0.00 C ATOM 427 OG SER A 25 -3.426 5.521 7.877 1.00 0.00 O ATOM 0 H SER A 25 -1.078 6.562 7.907 1.00 0.00 H new ATOM 0 HA SER A 25 -1.673 6.526 5.195 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.542 5.021 5.883 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.033 4.604 6.669 1.00 0.00 H new ATOM 0 HG SER A 25 -4.379 5.302 7.805 1.00 0.00 H new ATOM 433 N ALA A 26 -3.710 8.400 6.984 1.00 0.00 N ATOM 434 CA ALA A 26 -4.773 9.406 6.905 1.00 0.00 C ATOM 435 C ALA A 26 -4.528 10.396 5.765 1.00 0.00 C ATOM 436 O ALA A 26 -5.472 10.869 5.132 1.00 0.00 O ATOM 437 CB ALA A 26 -4.899 10.147 8.228 1.00 0.00 C ATOM 0 H ALA A 26 -3.313 8.281 7.916 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.707 8.885 6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.692 10.891 8.154 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.139 9.438 9.021 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.956 10.643 8.458 1.00 0.00 H new ATOM 443 N PHE A 27 -3.255 10.698 5.510 1.00 0.00 N ATOM 444 CA PHE A 27 -2.877 11.627 4.446 1.00 0.00 C ATOM 445 C PHE A 27 -3.238 11.070 3.066 1.00 0.00 C ATOM 446 O PHE A 27 -3.544 11.826 2.144 1.00 0.00 O ATOM 447 CB PHE A 27 -1.376 11.921 4.509 1.00 0.00 C ATOM 448 CG PHE A 27 -0.957 12.672 5.745 1.00 0.00 C ATOM 449 CD1 PHE A 27 -0.728 12.006 6.940 1.00 0.00 C ATOM 450 CD2 PHE A 27 -0.792 14.047 5.708 1.00 0.00 C ATOM 451 CE1 PHE A 27 -0.340 12.696 8.071 1.00 0.00 C ATOM 452 CE2 PHE A 27 -0.404 14.743 6.839 1.00 0.00 C ATOM 453 CZ PHE A 27 -0.177 14.067 8.021 1.00 0.00 C ATOM 0 H PHE A 27 -2.466 10.311 6.028 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.434 12.552 4.598 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.828 10.980 4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.091 12.499 3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.855 10.934 6.986 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.968 14.581 4.786 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.164 12.164 8.994 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.279 15.815 6.797 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.127 14.609 8.904 1.00 0.00 H new ATOM 463 N PHE A 28 -3.200 9.741 2.933 1.00 0.00 N ATOM 464 CA PHE A 28 -3.522 9.074 1.671 1.00 0.00 C ATOM 465 C PHE A 28 -4.159 7.704 1.926 1.00 0.00 C ATOM 466 O PHE A 28 -3.613 6.668 1.541 1.00 0.00 O ATOM 467 CB PHE A 28 -2.264 8.928 0.795 1.00 0.00 C ATOM 468 CG PHE A 28 -0.996 8.656 1.564 1.00 0.00 C ATOM 469 CD1 PHE A 28 -1.006 7.847 2.690 1.00 0.00 C ATOM 470 CD2 PHE A 28 0.205 9.208 1.154 1.00 0.00 C ATOM 471 CE1 PHE A 28 0.157 7.598 3.391 1.00 0.00 C ATOM 472 CE2 PHE A 28 1.374 8.963 1.852 1.00 0.00 C ATOM 473 CZ PHE A 28 1.350 8.156 2.971 1.00 0.00 C ATOM 0 H PHE A 28 -2.948 9.104 3.689 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.243 9.693 1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.424 8.118 0.084 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.133 9.841 0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.934 7.407 3.023 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.230 9.838 0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.135 6.967 4.267 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.304 9.403 1.522 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.261 7.961 3.517 1.00 0.00 H new ATOM 483 N SER A 29 -5.315 7.712 2.589 1.00 0.00 N ATOM 484 CA SER A 29 -6.028 6.475 2.913 1.00 0.00 C ATOM 485 C SER A 29 -7.425 6.446 2.278 1.00 0.00 C ATOM 486 O SER A 29 -8.129 5.440 2.364 1.00 0.00 O ATOM 487 CB SER A 29 -6.129 6.323 4.438 1.00 0.00 C ATOM 488 OG SER A 29 -7.057 5.314 4.806 1.00 0.00 O ATOM 0 H SER A 29 -5.778 8.561 2.913 1.00 0.00 H new ATOM 0 HA SER A 29 -5.465 5.638 2.501 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.147 6.080 4.845 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.431 7.273 4.879 1.00 0.00 H new ATOM 0 HG SER A 29 -7.528 4.996 4.008 1.00 0.00 H new ATOM 494 N PHE A 30 -7.820 7.551 1.643 1.00 0.00 N ATOM 495 CA PHE A 30 -9.121 7.650 0.999 1.00 0.00 C ATOM 496 C PHE A 30 -8.965 8.255 -0.401 1.00 0.00 C ATOM 497 O PHE A 30 -8.127 9.136 -0.603 1.00 0.00 O ATOM 498 CB PHE A 30 -10.057 8.492 1.882 1.00 0.00 C ATOM 499 CG PHE A 30 -11.090 9.285 1.134 1.00 0.00 C ATOM 500 CD1 PHE A 30 -10.774 10.525 0.608 1.00 0.00 C ATOM 501 CD2 PHE A 30 -12.374 8.795 0.967 1.00 0.00 C ATOM 502 CE1 PHE A 30 -11.721 11.264 -0.075 1.00 0.00 C ATOM 503 CE2 PHE A 30 -13.326 9.529 0.287 1.00 0.00 C ATOM 504 CZ PHE A 30 -12.998 10.765 -0.236 1.00 0.00 C ATOM 0 H PHE A 30 -7.249 8.393 1.564 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.560 6.659 0.882 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -10.566 7.829 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.453 9.178 2.475 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.776 10.920 0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.634 7.828 1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.463 12.230 -0.482 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -14.325 9.137 0.164 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.740 11.340 -0.770 1.00 0.00 H new ATOM 514 N PRO A 31 -9.758 7.780 -1.390 1.00 0.00 N ATOM 515 CA PRO A 31 -9.687 8.271 -2.776 1.00 0.00 C ATOM 516 C PRO A 31 -9.716 9.798 -2.859 1.00 0.00 C ATOM 517 O PRO A 31 -10.744 10.422 -2.596 1.00 0.00 O ATOM 518 CB PRO A 31 -10.934 7.668 -3.429 1.00 0.00 C ATOM 519 CG PRO A 31 -11.206 6.430 -2.652 1.00 0.00 C ATOM 520 CD PRO A 31 -10.777 6.721 -1.237 1.00 0.00 C ATOM 0 HA PRO A 31 -8.755 7.984 -3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -11.777 8.357 -3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -10.761 7.445 -4.482 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.264 6.169 -2.693 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.653 5.584 -3.061 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.615 7.057 -0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.365 5.835 -0.754 1.00 0.00 H new ATOM 528 N VAL A 32 -8.572 10.391 -3.218 1.00 0.00 N ATOM 529 CA VAL A 32 -8.452 11.849 -3.321 1.00 0.00 C ATOM 530 C VAL A 32 -9.500 12.452 -4.260 1.00 0.00 C ATOM 531 O VAL A 32 -10.175 11.737 -5.004 1.00 0.00 O ATOM 532 CB VAL A 32 -7.050 12.279 -3.788 1.00 0.00 C ATOM 533 CG1 VAL A 32 -5.997 11.904 -2.757 1.00 0.00 C ATOM 534 CG2 VAL A 32 -6.734 11.665 -5.135 1.00 0.00 C ATOM 0 H VAL A 32 -7.716 9.883 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.624 12.230 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.039 13.364 -3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.015 12.218 -3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.219 12.401 -1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.001 10.824 -2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.739 11.978 -5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.765 10.578 -5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.470 11.996 -5.868 1.00 0.00 H new ATOM 544 N THR A 33 -9.632 13.781 -4.208 1.00 0.00 N ATOM 545 CA THR A 33 -10.599 14.501 -5.036 1.00 0.00 C ATOM 546 C THR A 33 -9.951 15.718 -5.705 1.00 0.00 C ATOM 547 O THR A 33 -8.727 15.858 -5.705 1.00 0.00 O ATOM 548 CB THR A 33 -11.801 14.948 -4.188 1.00 0.00 C ATOM 549 OG1 THR A 33 -11.855 14.239 -2.963 1.00 0.00 O ATOM 550 CG2 THR A 33 -13.132 14.758 -4.887 1.00 0.00 C ATOM 0 H THR A 33 -9.077 14.381 -3.597 1.00 0.00 H new ATOM 0 HA THR A 33 -10.945 13.823 -5.816 1.00 0.00 H new ATOM 0 HB THR A 33 -11.645 16.013 -4.016 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.627 14.544 -2.442 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.937 15.093 -4.233 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.146 15.341 -5.808 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.272 13.703 -5.123 1.00 0.00 H new ATOM 558 N ASP A 34 -10.784 16.597 -6.269 1.00 0.00 N ATOM 559 CA ASP A 34 -10.306 17.801 -6.942 1.00 0.00 C ATOM 560 C ASP A 34 -9.766 18.847 -5.958 1.00 0.00 C ATOM 561 O ASP A 34 -9.255 19.888 -6.377 1.00 0.00 O ATOM 562 CB ASP A 34 -11.437 18.415 -7.769 1.00 0.00 C ATOM 563 CG ASP A 34 -10.980 18.831 -9.152 1.00 0.00 C ATOM 564 OD1 ASP A 34 -11.047 17.993 -10.075 1.00 0.00 O ATOM 565 OD2 ASP A 34 -10.553 19.994 -9.311 1.00 0.00 O ATOM 0 H ASP A 34 -11.799 16.493 -6.271 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.482 17.503 -7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.250 17.695 -7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.837 19.283 -7.245 1.00 0.00 H new ATOM 570 N PHE A 35 -9.881 18.574 -4.655 1.00 0.00 N ATOM 571 CA PHE A 35 -9.400 19.503 -3.633 1.00 0.00 C ATOM 572 C PHE A 35 -8.515 18.787 -2.618 1.00 0.00 C ATOM 573 O PHE A 35 -7.499 19.327 -2.179 1.00 0.00 O ATOM 574 CB PHE A 35 -10.578 20.183 -2.925 1.00 0.00 C ATOM 575 CG PHE A 35 -11.443 19.244 -2.125 1.00 0.00 C ATOM 576 CD1 PHE A 35 -12.314 18.370 -2.760 1.00 0.00 C ATOM 577 CD2 PHE A 35 -11.387 19.238 -0.739 1.00 0.00 C ATOM 578 CE1 PHE A 35 -13.109 17.510 -2.028 1.00 0.00 C ATOM 579 CE2 PHE A 35 -12.181 18.377 -0.004 1.00 0.00 C ATOM 580 CZ PHE A 35 -13.042 17.513 -0.648 1.00 0.00 C ATOM 0 H PHE A 35 -10.301 17.721 -4.286 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.802 20.268 -4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -10.191 20.957 -2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.196 20.682 -3.671 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.371 18.362 -3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.716 19.913 -0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -13.783 16.835 -2.534 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -12.127 18.381 1.075 1.00 0.00 H new ATOM 0 HZ PHE A 35 -13.663 16.840 -0.075 1.00 0.00 H new ATOM 590 N ILE A 36 -8.904 17.566 -2.254 1.00 0.00 N ATOM 591 CA ILE A 36 -8.146 16.768 -1.301 1.00 0.00 C ATOM 592 C ILE A 36 -6.742 16.474 -1.836 1.00 0.00 C ATOM 593 O ILE A 36 -5.777 16.422 -1.072 1.00 0.00 O ATOM 594 CB ILE A 36 -8.880 15.448 -0.982 1.00 0.00 C ATOM 595 CG1 ILE A 36 -10.092 15.723 -0.088 1.00 0.00 C ATOM 596 CG2 ILE A 36 -7.940 14.449 -0.327 1.00 0.00 C ATOM 597 CD1 ILE A 36 -10.887 14.483 0.262 1.00 0.00 C ATOM 0 H ILE A 36 -9.744 17.109 -2.609 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.055 17.344 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.230 15.011 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.752 16.197 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.748 16.434 -0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.481 13.527 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.110 14.234 -1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.554 14.868 0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.729 14.758 0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.258 14.019 -0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.247 13.778 0.793 1.00 0.00 H new ATOM 609 N ALA A 37 -6.634 16.296 -3.155 1.00 0.00 N ATOM 610 CA ALA A 37 -5.350 16.024 -3.792 1.00 0.00 C ATOM 611 C ALA A 37 -4.768 17.300 -4.406 1.00 0.00 C ATOM 612 O ALA A 37 -5.509 18.141 -4.917 1.00 0.00 O ATOM 613 CB ALA A 37 -5.506 14.951 -4.861 1.00 0.00 C ATOM 0 H ALA A 37 -7.423 16.336 -3.800 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.660 15.663 -3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.540 14.759 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.877 14.034 -4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.213 15.291 -5.618 1.00 0.00 H new ATOM 619 N PRO A 38 -3.429 17.462 -4.367 1.00 0.00 N ATOM 620 CA PRO A 38 -2.748 18.635 -4.924 1.00 0.00 C ATOM 621 C PRO A 38 -2.524 18.541 -6.428 1.00 0.00 C ATOM 622 O PRO A 38 -1.842 19.376 -7.026 1.00 0.00 O ATOM 623 CB PRO A 38 -1.399 18.653 -4.201 1.00 0.00 C ATOM 624 CG PRO A 38 -1.369 17.441 -3.320 1.00 0.00 C ATOM 625 CD PRO A 38 -2.467 16.527 -3.785 1.00 0.00 C ATOM 0 HA PRO A 38 -3.345 19.535 -4.781 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.576 18.633 -4.916 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.287 19.563 -3.612 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.401 16.943 -3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.516 17.720 -2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.110 15.803 -4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.900 15.960 -2.961 1.00 0.00 H new ATOM 633 N GLY A 39 -3.096 17.516 -7.015 1.00 0.00 N ATOM 634 CA GLY A 39 -2.972 17.280 -8.439 1.00 0.00 C ATOM 635 C GLY A 39 -2.478 15.878 -8.740 1.00 0.00 C ATOM 636 O GLY A 39 -1.692 15.675 -9.666 1.00 0.00 O ATOM 0 H GLY A 39 -3.659 16.823 -6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.939 17.435 -8.918 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.283 18.007 -8.869 1.00 0.00 H new ATOM 640 N TYR A 40 -2.944 14.906 -7.948 1.00 0.00 N ATOM 641 CA TYR A 40 -2.547 13.512 -8.128 1.00 0.00 C ATOM 642 C TYR A 40 -2.780 13.066 -9.570 1.00 0.00 C ATOM 643 O TYR A 40 -1.875 12.551 -10.210 1.00 0.00 O ATOM 644 CB TYR A 40 -3.328 12.599 -7.172 1.00 0.00 C ATOM 645 CG TYR A 40 -2.627 12.342 -5.852 1.00 0.00 C ATOM 646 CD1 TYR A 40 -2.646 13.294 -4.841 1.00 0.00 C ATOM 647 CD2 TYR A 40 -1.955 11.145 -5.614 1.00 0.00 C ATOM 648 CE1 TYR A 40 -2.015 13.067 -3.633 1.00 0.00 C ATOM 649 CE2 TYR A 40 -1.323 10.912 -4.408 1.00 0.00 C ATOM 650 CZ TYR A 40 -1.358 11.874 -3.421 1.00 0.00 C ATOM 651 OH TYR A 40 -0.730 11.644 -2.218 1.00 0.00 O ATOM 0 H TYR A 40 -3.595 15.062 -7.179 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.483 13.435 -7.902 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.302 13.047 -6.973 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.511 11.645 -7.666 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.163 14.228 -5.002 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.928 10.388 -6.384 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.036 13.820 -2.859 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.804 9.980 -4.239 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.523 10.690 -2.134 1.00 0.00 H new ATOM 661 N SER A 41 -3.998 13.279 -10.068 1.00 0.00 N ATOM 662 CA SER A 41 -4.352 12.908 -11.444 1.00 0.00 C ATOM 663 C SER A 41 -3.599 13.753 -12.480 1.00 0.00 C ATOM 664 O SER A 41 -3.271 13.269 -13.564 1.00 0.00 O ATOM 665 CB SER A 41 -5.863 13.042 -11.662 1.00 0.00 C ATOM 666 OG SER A 41 -6.349 12.016 -12.512 1.00 0.00 O ATOM 0 H SER A 41 -4.759 13.707 -9.541 1.00 0.00 H new ATOM 0 HA SER A 41 -4.055 11.868 -11.584 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.377 12.997 -10.702 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.086 14.016 -12.098 1.00 0.00 H new ATOM 0 HG SER A 41 -7.316 12.123 -12.634 1.00 0.00 H new ATOM 672 N MET A 42 -3.350 15.022 -12.148 1.00 0.00 N ATOM 673 CA MET A 42 -2.661 15.943 -13.060 1.00 0.00 C ATOM 674 C MET A 42 -1.176 15.601 -13.231 1.00 0.00 C ATOM 675 O MET A 42 -0.534 16.080 -14.167 1.00 0.00 O ATOM 676 CB MET A 42 -2.805 17.386 -12.562 1.00 0.00 C ATOM 677 CG MET A 42 -3.089 18.388 -13.671 1.00 0.00 C ATOM 678 SD MET A 42 -4.700 19.179 -13.499 1.00 0.00 S ATOM 679 CE MET A 42 -5.793 17.836 -13.954 1.00 0.00 C ATOM 0 H MET A 42 -3.615 15.437 -11.255 1.00 0.00 H new ATOM 0 HA MET A 42 -3.135 15.837 -14.036 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.611 17.430 -11.829 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.889 17.677 -12.047 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.312 19.152 -13.672 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.039 17.881 -14.635 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.828 18.173 -13.895 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.573 17.517 -14.973 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.645 16.999 -13.271 1.00 0.00 H new ATOM 689 N ILE A 43 -0.631 14.785 -12.328 1.00 0.00 N ATOM 690 CA ILE A 43 0.778 14.396 -12.391 1.00 0.00 C ATOM 691 C ILE A 43 0.934 12.883 -12.544 1.00 0.00 C ATOM 692 O ILE A 43 1.904 12.407 -13.140 1.00 0.00 O ATOM 693 CB ILE A 43 1.541 14.863 -11.131 1.00 0.00 C ATOM 694 CG1 ILE A 43 3.051 14.685 -11.322 1.00 0.00 C ATOM 695 CG2 ILE A 43 1.065 14.111 -9.890 1.00 0.00 C ATOM 696 CD1 ILE A 43 3.740 15.915 -11.870 1.00 0.00 C ATOM 0 H ILE A 43 -1.144 14.381 -11.544 1.00 0.00 H new ATOM 0 HA ILE A 43 1.203 14.884 -13.268 1.00 0.00 H new ATOM 0 HB ILE A 43 1.332 15.922 -10.983 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.502 14.422 -10.365 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.227 13.848 -11.998 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.619 14.460 -9.018 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.001 14.293 -9.740 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.235 13.043 -10.024 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.806 15.717 -11.979 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.316 16.167 -12.842 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.595 16.749 -11.184 1.00 0.00 H new ATOM 708 N ILE A 44 -0.019 12.137 -11.996 1.00 0.00 N ATOM 709 CA ILE A 44 0.006 10.693 -12.050 1.00 0.00 C ATOM 710 C ILE A 44 -1.389 10.130 -12.325 1.00 0.00 C ATOM 711 O ILE A 44 -2.326 10.302 -11.541 1.00 0.00 O ATOM 712 CB ILE A 44 0.609 10.102 -10.752 1.00 0.00 C ATOM 713 CG1 ILE A 44 1.827 9.245 -11.099 1.00 0.00 C ATOM 714 CG2 ILE A 44 -0.411 9.302 -9.954 1.00 0.00 C ATOM 715 CD1 ILE A 44 3.137 9.858 -10.663 1.00 0.00 C ATOM 0 H ILE A 44 -0.826 12.522 -11.505 1.00 0.00 H new ATOM 0 HA ILE A 44 0.649 10.396 -12.878 1.00 0.00 H new ATOM 0 HB ILE A 44 0.918 10.931 -10.115 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.719 8.267 -10.631 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.852 9.082 -12.176 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.060 8.908 -9.053 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.243 9.948 -9.676 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.781 8.476 -10.561 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.958 9.197 -10.941 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.267 10.824 -11.151 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.132 9.996 -9.582 1.00 0.00 H new ATOM 727 N LYS A 45 -1.504 9.477 -13.466 1.00 0.00 N ATOM 728 CA LYS A 45 -2.761 8.876 -13.917 1.00 0.00 C ATOM 729 C LYS A 45 -3.421 8.020 -12.832 1.00 0.00 C ATOM 730 O LYS A 45 -4.505 8.353 -12.352 1.00 0.00 O ATOM 731 CB LYS A 45 -2.514 8.027 -15.163 1.00 0.00 C ATOM 732 CG LYS A 45 -2.717 8.785 -16.465 1.00 0.00 C ATOM 733 CD LYS A 45 -1.629 8.462 -17.478 1.00 0.00 C ATOM 734 CE LYS A 45 -1.051 9.725 -18.096 1.00 0.00 C ATOM 735 NZ LYS A 45 0.193 9.450 -18.870 1.00 0.00 N ATOM 0 H LYS A 45 -0.728 9.344 -14.115 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.444 9.693 -14.150 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.496 7.640 -15.133 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.183 7.167 -15.145 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.691 8.534 -16.884 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.722 9.857 -16.266 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.834 7.897 -16.992 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.038 7.826 -18.263 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.793 10.180 -18.752 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.836 10.448 -17.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.554 10.338 -19.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.911 9.040 -18.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.017 8.780 -19.637 1.00 0.00 H new ATOM 749 N HIS A 46 -2.782 6.905 -12.471 1.00 0.00 N ATOM 750 CA HIS A 46 -3.338 5.997 -11.467 1.00 0.00 C ATOM 751 C HIS A 46 -2.479 5.932 -10.197 1.00 0.00 C ATOM 752 O HIS A 46 -1.532 5.147 -10.114 1.00 0.00 O ATOM 753 CB HIS A 46 -3.490 4.591 -12.062 1.00 0.00 C ATOM 754 CG HIS A 46 -4.909 4.209 -12.371 1.00 0.00 C ATOM 755 ND1 HIS A 46 -5.255 3.380 -13.418 1.00 0.00 N ATOM 756 CD2 HIS A 46 -6.071 4.544 -11.759 1.00 0.00 C ATOM 757 CE1 HIS A 46 -6.566 3.223 -13.439 1.00 0.00 C ATOM 758 NE2 HIS A 46 -7.083 3.918 -12.444 1.00 0.00 N ATOM 0 H HIS A 46 -1.885 6.611 -12.857 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.314 6.390 -11.181 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.900 4.529 -12.977 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.073 3.865 -11.364 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.180 5.183 -10.895 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.120 2.627 -14.149 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.076 3.980 -12.219 1.00 0.00 H new ATOM 767 N PRO A 47 -2.819 6.748 -9.178 1.00 0.00 N ATOM 768 CA PRO A 47 -2.100 6.770 -7.900 1.00 0.00 C ATOM 769 C PRO A 47 -2.520 5.625 -6.976 1.00 0.00 C ATOM 770 O PRO A 47 -1.713 5.113 -6.201 1.00 0.00 O ATOM 771 CB PRO A 47 -2.506 8.119 -7.303 1.00 0.00 C ATOM 772 CG PRO A 47 -3.868 8.391 -7.849 1.00 0.00 C ATOM 773 CD PRO A 47 -3.949 7.702 -9.189 1.00 0.00 C ATOM 0 HA PRO A 47 -1.025 6.646 -8.028 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.518 8.080 -6.214 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.804 8.903 -7.586 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.637 8.015 -7.174 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.034 9.463 -7.955 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.902 7.188 -9.315 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.860 8.415 -10.009 1.00 0.00 H new ATOM 781 N MET A 48 -3.791 5.234 -7.080 1.00 0.00 N ATOM 782 CA MET A 48 -4.362 4.150 -6.277 1.00 0.00 C ATOM 783 C MET A 48 -4.061 4.325 -4.786 1.00 0.00 C ATOM 784 O MET A 48 -3.049 3.830 -4.284 1.00 0.00 O ATOM 785 CB MET A 48 -3.854 2.793 -6.773 1.00 0.00 C ATOM 786 CG MET A 48 -4.969 1.849 -7.188 1.00 0.00 C ATOM 787 SD MET A 48 -5.415 2.026 -8.924 1.00 0.00 S ATOM 788 CE MET A 48 -6.759 0.850 -9.046 1.00 0.00 C ATOM 0 H MET A 48 -4.456 5.661 -7.725 1.00 0.00 H new ATOM 0 HA MET A 48 -5.445 4.187 -6.397 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.187 2.950 -7.620 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.264 2.324 -5.986 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.659 0.821 -6.999 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.847 2.036 -6.570 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.967 0.643 -10.096 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.480 -0.075 -8.542 1.00 0.00 H new ATOM 0 HE3 MET A 48 -7.650 1.265 -8.575 1.00 0.00 H new ATOM 798 N ASP A 49 -4.951 5.029 -4.083 1.00 0.00 N ATOM 799 CA ASP A 49 -4.789 5.273 -2.648 1.00 0.00 C ATOM 800 C ASP A 49 -4.923 3.977 -1.847 1.00 0.00 C ATOM 801 O ASP A 49 -5.271 2.928 -2.394 1.00 0.00 O ATOM 802 CB ASP A 49 -5.831 6.284 -2.154 1.00 0.00 C ATOM 803 CG ASP A 49 -5.801 7.590 -2.926 1.00 0.00 C ATOM 804 OD1 ASP A 49 -6.211 7.595 -4.106 1.00 0.00 O ATOM 805 OD2 ASP A 49 -5.372 8.610 -2.349 1.00 0.00 O ATOM 0 H ASP A 49 -5.793 5.441 -4.485 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.788 5.677 -2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.824 5.843 -2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.658 6.489 -1.097 1.00 0.00 H new ATOM 810 N PHE A 50 -4.653 4.064 -0.542 1.00 0.00 N ATOM 811 CA PHE A 50 -4.748 2.906 0.351 1.00 0.00 C ATOM 812 C PHE A 50 -6.156 2.306 0.335 1.00 0.00 C ATOM 813 O PHE A 50 -6.317 1.089 0.418 1.00 0.00 O ATOM 814 CB PHE A 50 -4.368 3.301 1.784 1.00 0.00 C ATOM 815 CG PHE A 50 -3.180 2.560 2.327 1.00 0.00 C ATOM 816 CD1 PHE A 50 -1.934 2.688 1.736 1.00 0.00 C ATOM 817 CD2 PHE A 50 -3.311 1.733 3.431 1.00 0.00 C ATOM 818 CE1 PHE A 50 -0.842 2.002 2.234 1.00 0.00 C ATOM 819 CE2 PHE A 50 -2.224 1.047 3.934 1.00 0.00 C ATOM 820 CZ PHE A 50 -0.988 1.181 3.334 1.00 0.00 C ATOM 0 H PHE A 50 -4.366 4.927 -0.079 1.00 0.00 H new ATOM 0 HA PHE A 50 -4.049 2.152 -0.010 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.160 4.371 1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.223 3.125 2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.814 3.331 0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.276 1.624 3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.124 2.108 1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.340 0.406 4.796 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.136 0.644 3.725 1.00 0.00 H new ATOM 830 N SER A 51 -7.174 3.164 0.223 1.00 0.00 N ATOM 831 CA SER A 51 -8.565 2.708 0.191 1.00 0.00 C ATOM 832 C SER A 51 -8.884 2.030 -1.143 1.00 0.00 C ATOM 833 O SER A 51 -9.569 1.007 -1.176 1.00 0.00 O ATOM 834 CB SER A 51 -9.524 3.883 0.429 1.00 0.00 C ATOM 835 OG SER A 51 -10.786 3.663 -0.185 1.00 0.00 O ATOM 0 H SER A 51 -7.061 4.175 0.153 1.00 0.00 H new ATOM 0 HA SER A 51 -8.699 1.979 0.990 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.661 4.030 1.500 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.082 4.799 0.036 1.00 0.00 H new ATOM 0 HG SER A 51 -11.458 4.241 0.233 1.00 0.00 H new ATOM 841 N THR A 52 -8.384 2.607 -2.239 1.00 0.00 N ATOM 842 CA THR A 52 -8.620 2.054 -3.574 1.00 0.00 C ATOM 843 C THR A 52 -8.064 0.634 -3.676 1.00 0.00 C ATOM 844 O THR A 52 -8.756 -0.283 -4.120 1.00 0.00 O ATOM 845 CB THR A 52 -7.979 2.943 -4.651 1.00 0.00 C ATOM 846 OG1 THR A 52 -7.878 4.289 -4.212 1.00 0.00 O ATOM 847 CG2 THR A 52 -8.743 2.942 -5.959 1.00 0.00 C ATOM 0 H THR A 52 -7.815 3.454 -2.228 1.00 0.00 H new ATOM 0 HA THR A 52 -9.697 2.023 -3.739 1.00 0.00 H new ATOM 0 HB THR A 52 -6.991 2.514 -4.821 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.774 4.879 -4.988 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.238 3.589 -6.676 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.787 1.927 -6.354 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.755 3.309 -5.789 1.00 0.00 H new ATOM 855 N MET A 53 -6.812 0.460 -3.251 1.00 0.00 N ATOM 856 CA MET A 53 -6.163 -0.850 -3.281 1.00 0.00 C ATOM 857 C MET A 53 -6.880 -1.830 -2.352 1.00 0.00 C ATOM 858 O MET A 53 -7.077 -2.994 -2.704 1.00 0.00 O ATOM 859 CB MET A 53 -4.679 -0.734 -2.909 1.00 0.00 C ATOM 860 CG MET A 53 -4.422 -0.136 -1.535 1.00 0.00 C ATOM 861 SD MET A 53 -2.674 0.198 -1.243 1.00 0.00 S ATOM 862 CE MET A 53 -2.078 -1.446 -0.856 1.00 0.00 C ATOM 0 H MET A 53 -6.228 1.210 -2.882 1.00 0.00 H new ATOM 0 HA MET A 53 -6.227 -1.236 -4.298 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.228 -1.725 -2.951 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.176 -0.123 -3.658 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.987 0.790 -1.434 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.791 -0.819 -0.770 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.513 -1.418 0.076 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.925 -2.124 -0.747 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.433 -1.798 -1.661 1.00 0.00 H new ATOM 872 N LYS A 54 -7.275 -1.353 -1.166 1.00 0.00 N ATOM 873 CA LYS A 54 -7.979 -2.188 -0.189 1.00 0.00 C ATOM 874 C LYS A 54 -9.279 -2.740 -0.775 1.00 0.00 C ATOM 875 O LYS A 54 -9.598 -3.917 -0.594 1.00 0.00 O ATOM 876 CB LYS A 54 -8.280 -1.392 1.086 1.00 0.00 C ATOM 877 CG LYS A 54 -8.089 -2.193 2.366 1.00 0.00 C ATOM 878 CD LYS A 54 -9.293 -3.076 2.660 1.00 0.00 C ATOM 879 CE LYS A 54 -10.444 -2.275 3.254 1.00 0.00 C ATOM 880 NZ LYS A 54 -11.292 -3.103 4.157 1.00 0.00 N ATOM 0 H LYS A 54 -7.118 -0.392 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.328 -3.025 0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.634 -0.515 1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.307 -1.030 1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.196 -2.812 2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.924 -1.512 3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.622 -3.561 1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.004 -3.867 3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.046 -1.425 3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.058 -1.871 2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.161 -2.582 4.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.540 -3.993 3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.768 -3.312 5.030 1.00 0.00 H new ATOM 894 N GLU A 55 -10.019 -1.889 -1.488 1.00 0.00 N ATOM 895 CA GLU A 55 -11.275 -2.301 -2.107 1.00 0.00 C ATOM 896 C GLU A 55 -11.024 -3.391 -3.147 1.00 0.00 C ATOM 897 O GLU A 55 -11.802 -4.339 -3.268 1.00 0.00 O ATOM 898 CB GLU A 55 -11.963 -1.101 -2.762 1.00 0.00 C ATOM 899 CG GLU A 55 -13.481 -1.194 -2.767 1.00 0.00 C ATOM 900 CD GLU A 55 -14.101 -0.560 -3.997 1.00 0.00 C ATOM 901 OE1 GLU A 55 -14.117 0.684 -4.081 1.00 0.00 O ATOM 902 OE2 GLU A 55 -14.572 -1.312 -4.877 1.00 0.00 O ATOM 0 H GLU A 55 -9.769 -0.913 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.927 -2.701 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.665 -0.192 -2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.610 -1.007 -3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.777 -2.242 -2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.874 -0.707 -1.875 1.00 0.00 H new ATOM 909 N LYS A 56 -9.923 -3.252 -3.884 1.00 0.00 N ATOM 910 CA LYS A 56 -9.550 -4.224 -4.907 1.00 0.00 C ATOM 911 C LYS A 56 -9.195 -5.571 -4.277 1.00 0.00 C ATOM 912 O LYS A 56 -9.576 -6.623 -4.795 1.00 0.00 O ATOM 913 CB LYS A 56 -8.367 -3.706 -5.727 1.00 0.00 C ATOM 914 CG LYS A 56 -8.767 -2.852 -6.920 1.00 0.00 C ATOM 915 CD LYS A 56 -7.862 -3.114 -8.111 1.00 0.00 C ATOM 916 CE LYS A 56 -8.221 -2.231 -9.296 1.00 0.00 C ATOM 917 NZ LYS A 56 -9.141 -2.916 -10.248 1.00 0.00 N ATOM 0 H LYS A 56 -9.272 -2.472 -3.790 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.407 -4.365 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.716 -3.121 -5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.784 -4.556 -6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.801 -3.064 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.719 -1.798 -6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.825 -2.936 -7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.938 -4.162 -8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.689 -1.315 -8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.310 -1.939 -9.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.733 -2.889 -11.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.271 -3.905 -9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.061 -2.432 -10.250 1.00 0.00 H new ATOM 931 N ILE A 57 -8.469 -5.539 -3.159 1.00 0.00 N ATOM 932 CA ILE A 57 -8.073 -6.767 -2.470 1.00 0.00 C ATOM 933 C ILE A 57 -9.300 -7.579 -2.054 1.00 0.00 C ATOM 934 O ILE A 57 -9.307 -8.805 -2.165 1.00 0.00 O ATOM 935 CB ILE A 57 -7.209 -6.486 -1.217 1.00 0.00 C ATOM 936 CG1 ILE A 57 -6.001 -5.608 -1.568 1.00 0.00 C ATOM 937 CG2 ILE A 57 -6.743 -7.795 -0.593 1.00 0.00 C ATOM 938 CD1 ILE A 57 -5.601 -4.655 -0.461 1.00 0.00 C ATOM 0 H ILE A 57 -8.145 -4.681 -2.713 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.474 -7.337 -3.180 1.00 0.00 H new ATOM 0 HB ILE A 57 -7.823 -5.948 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.153 -6.250 -1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.229 -5.033 -2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.136 -7.583 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.610 -8.388 -0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.149 -8.352 -1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.740 -4.067 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.433 -3.988 -0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.341 -5.223 0.432 1.00 0.00 H new ATOM 950 N LYS A 58 -10.337 -6.884 -1.579 1.00 0.00 N ATOM 951 CA LYS A 58 -11.573 -7.538 -1.149 1.00 0.00 C ATOM 952 C LYS A 58 -12.225 -8.331 -2.290 1.00 0.00 C ATOM 953 O LYS A 58 -12.999 -9.257 -2.043 1.00 0.00 O ATOM 954 CB LYS A 58 -12.558 -6.501 -0.605 1.00 0.00 C ATOM 955 CG LYS A 58 -13.562 -7.071 0.384 1.00 0.00 C ATOM 956 CD LYS A 58 -14.665 -6.070 0.699 1.00 0.00 C ATOM 957 CE LYS A 58 -15.915 -6.339 -0.126 1.00 0.00 C ATOM 958 NZ LYS A 58 -16.554 -7.639 0.230 1.00 0.00 N ATOM 0 H LYS A 58 -10.344 -5.869 -1.483 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.314 -8.243 -0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.999 -5.701 -0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.098 -6.053 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.001 -7.981 -0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.049 -7.351 1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.910 -6.119 1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.308 -5.059 0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.630 -5.531 0.026 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.656 -6.341 -1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.562 -7.611 -0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.088 -8.409 -0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.458 -7.805 1.252 1.00 0.00 H new ATOM 972 N ASN A 59 -11.910 -7.967 -3.538 1.00 0.00 N ATOM 973 CA ASN A 59 -12.464 -8.653 -4.706 1.00 0.00 C ATOM 974 C ASN A 59 -11.460 -9.653 -5.292 1.00 0.00 C ATOM 975 O ASN A 59 -11.567 -10.038 -6.457 1.00 0.00 O ATOM 976 CB ASN A 59 -12.854 -7.627 -5.773 1.00 0.00 C ATOM 977 CG ASN A 59 -14.265 -7.102 -5.589 1.00 0.00 C ATOM 978 OD1 ASN A 59 -15.209 -7.601 -6.201 1.00 0.00 O ATOM 979 ND2 ASN A 59 -14.419 -6.091 -4.739 1.00 0.00 N ATOM 0 H ASN A 59 -11.275 -7.201 -3.763 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.348 -9.206 -4.387 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.153 -6.793 -5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.765 -8.082 -6.759 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.347 -5.700 -4.574 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.610 -5.706 -4.252 1.00 0.00 H new ATOM 986 N ASN A 60 -10.476 -10.056 -4.482 1.00 0.00 N ATOM 987 CA ASN A 60 -9.440 -10.993 -4.918 1.00 0.00 C ATOM 988 C ASN A 60 -8.601 -10.409 -6.056 1.00 0.00 C ATOM 989 O ASN A 60 -7.953 -11.144 -6.804 1.00 0.00 O ATOM 990 CB ASN A 60 -10.052 -12.331 -5.341 1.00 0.00 C ATOM 991 CG ASN A 60 -9.410 -13.502 -4.618 1.00 0.00 C ATOM 992 OD1 ASN A 60 -8.935 -14.448 -5.245 1.00 0.00 O ATOM 993 ND2 ASN A 60 -9.389 -13.439 -3.290 1.00 0.00 N ATOM 0 H ASN A 60 -10.377 -9.745 -3.516 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.781 -11.167 -4.067 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.123 -12.321 -5.137 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.934 -12.460 -6.417 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.967 -14.195 -2.750 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.795 -12.635 -2.811 1.00 0.00 H new ATOM 1000 N ASP A 61 -8.599 -9.081 -6.167 1.00 0.00 N ATOM 1001 CA ASP A 61 -7.821 -8.399 -7.192 1.00 0.00 C ATOM 1002 C ASP A 61 -6.343 -8.390 -6.809 1.00 0.00 C ATOM 1003 O ASP A 61 -5.465 -8.499 -7.667 1.00 0.00 O ATOM 1004 CB ASP A 61 -8.319 -6.963 -7.371 1.00 0.00 C ATOM 1005 CG ASP A 61 -8.301 -6.509 -8.818 1.00 0.00 C ATOM 1006 OD1 ASP A 61 -7.264 -6.695 -9.490 1.00 0.00 O ATOM 1007 OD2 ASP A 61 -9.322 -5.959 -9.277 1.00 0.00 O ATOM 0 H ASP A 61 -9.129 -8.458 -5.557 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.943 -8.934 -8.134 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.335 -6.885 -6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.699 -6.292 -6.777 1.00 0.00 H new ATOM 1012 N TYR A 62 -6.084 -8.264 -5.508 1.00 0.00 N ATOM 1013 CA TYR A 62 -4.725 -8.241 -4.991 1.00 0.00 C ATOM 1014 C TYR A 62 -4.508 -9.380 -3.998 1.00 0.00 C ATOM 1015 O TYR A 62 -4.964 -9.321 -2.856 1.00 0.00 O ATOM 1016 CB TYR A 62 -4.438 -6.894 -4.323 1.00 0.00 C ATOM 1017 CG TYR A 62 -4.385 -5.735 -5.295 1.00 0.00 C ATOM 1018 CD1 TYR A 62 -3.509 -5.749 -6.373 1.00 0.00 C ATOM 1019 CD2 TYR A 62 -5.210 -4.630 -5.134 1.00 0.00 C ATOM 1020 CE1 TYR A 62 -3.457 -4.695 -7.263 1.00 0.00 C ATOM 1021 CE2 TYR A 62 -5.164 -3.572 -6.020 1.00 0.00 C ATOM 1022 CZ TYR A 62 -4.286 -3.609 -7.083 1.00 0.00 C ATOM 1023 OH TYR A 62 -4.233 -2.558 -7.970 1.00 0.00 O ATOM 0 H TYR A 62 -6.806 -8.176 -4.792 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.036 -8.376 -5.825 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.208 -6.697 -3.577 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -3.488 -6.956 -3.792 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.858 -6.598 -6.517 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -5.899 -4.597 -4.303 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.770 -4.721 -8.096 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.812 -2.720 -5.881 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.880 -1.872 -7.704 1.00 0.00 H new ATOM 1033 N GLN A 63 -3.799 -10.413 -4.446 1.00 0.00 N ATOM 1034 CA GLN A 63 -3.498 -11.570 -3.614 1.00 0.00 C ATOM 1035 C GLN A 63 -2.077 -12.056 -3.887 1.00 0.00 C ATOM 1036 O GLN A 63 -1.716 -13.188 -3.555 1.00 0.00 O ATOM 1037 CB GLN A 63 -4.512 -12.688 -3.873 1.00 0.00 C ATOM 1038 CG GLN A 63 -4.385 -13.335 -5.245 1.00 0.00 C ATOM 1039 CD GLN A 63 -4.557 -14.841 -5.194 1.00 0.00 C ATOM 1040 OE1 GLN A 63 -3.592 -15.581 -4.998 1.00 0.00 O ATOM 1041 NE2 GLN A 63 -5.790 -15.305 -5.370 1.00 0.00 N ATOM 0 H GLN A 63 -3.420 -10.470 -5.391 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.569 -11.280 -2.566 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.394 -13.456 -3.108 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.518 -12.284 -3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.132 -12.909 -5.915 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.408 -13.098 -5.666 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.561 -14.657 -5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.965 -16.310 -5.345 1.00 0.00 H new ATOM 1050 N SER A 64 -1.275 -11.179 -4.491 1.00 0.00 N ATOM 1051 CA SER A 64 0.100 -11.486 -4.818 1.00 0.00 C ATOM 1052 C SER A 64 1.017 -10.427 -4.228 1.00 0.00 C ATOM 1053 O SER A 64 0.724 -9.233 -4.289 1.00 0.00 O ATOM 1054 CB SER A 64 0.294 -11.561 -6.339 1.00 0.00 C ATOM 1055 OG SER A 64 -0.938 -11.767 -7.010 1.00 0.00 O ATOM 0 H SER A 64 -1.568 -10.241 -4.763 1.00 0.00 H new ATOM 0 HA SER A 64 0.350 -12.458 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.753 -10.639 -6.694 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.981 -12.372 -6.580 1.00 0.00 H new ATOM 0 HG SER A 64 -0.781 -11.808 -7.976 1.00 0.00 H new ATOM 1061 N ILE A 65 2.118 -10.878 -3.652 1.00 0.00 N ATOM 1062 CA ILE A 65 3.094 -9.987 -3.038 1.00 0.00 C ATOM 1063 C ILE A 65 3.543 -8.901 -4.015 1.00 0.00 C ATOM 1064 O ILE A 65 3.651 -7.733 -3.644 1.00 0.00 O ATOM 1065 CB ILE A 65 4.328 -10.759 -2.523 1.00 0.00 C ATOM 1066 CG1 ILE A 65 4.823 -11.776 -3.562 1.00 0.00 C ATOM 1067 CG2 ILE A 65 4.004 -11.453 -1.207 1.00 0.00 C ATOM 1068 CD1 ILE A 65 6.169 -11.425 -4.159 1.00 0.00 C ATOM 0 H ILE A 65 2.362 -11.867 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 65 2.599 -9.518 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 65 5.130 -10.040 -2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.887 -12.759 -3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.088 -11.852 -4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.883 -11.994 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.714 -10.709 -0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.183 -12.154 -1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.455 -12.187 -4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.105 -10.457 -4.656 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.917 -11.378 -3.368 1.00 0.00 H new ATOM 1080 N GLU A 66 3.784 -9.290 -5.267 1.00 0.00 N ATOM 1081 CA GLU A 66 4.201 -8.343 -6.297 1.00 0.00 C ATOM 1082 C GLU A 66 3.054 -7.401 -6.674 1.00 0.00 C ATOM 1083 O GLU A 66 3.271 -6.213 -6.911 1.00 0.00 O ATOM 1084 CB GLU A 66 4.692 -9.092 -7.541 1.00 0.00 C ATOM 1085 CG GLU A 66 5.573 -8.250 -8.450 1.00 0.00 C ATOM 1086 CD GLU A 66 7.035 -8.650 -8.384 1.00 0.00 C ATOM 1087 OE1 GLU A 66 7.368 -9.768 -8.832 1.00 0.00 O ATOM 1088 OE2 GLU A 66 7.848 -7.844 -7.883 1.00 0.00 O ATOM 0 H GLU A 66 3.697 -10.253 -5.591 1.00 0.00 H new ATOM 0 HA GLU A 66 5.019 -7.745 -5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.248 -9.976 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.830 -9.443 -8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.221 -8.343 -9.478 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.475 -7.200 -8.173 1.00 0.00 H new ATOM 1095 N GLU A 67 1.836 -7.943 -6.731 1.00 0.00 N ATOM 1096 CA GLU A 67 0.653 -7.158 -7.087 1.00 0.00 C ATOM 1097 C GLU A 67 0.329 -6.105 -6.023 1.00 0.00 C ATOM 1098 O GLU A 67 0.088 -4.940 -6.347 1.00 0.00 O ATOM 1099 CB GLU A 67 -0.552 -8.085 -7.275 1.00 0.00 C ATOM 1100 CG GLU A 67 -1.516 -7.626 -8.356 1.00 0.00 C ATOM 1101 CD GLU A 67 -1.077 -8.050 -9.745 1.00 0.00 C ATOM 1102 OE1 GLU A 67 -1.227 -9.245 -10.075 1.00 0.00 O ATOM 1103 OE2 GLU A 67 -0.584 -7.187 -10.501 1.00 0.00 O ATOM 0 H GLU A 67 1.643 -8.925 -6.535 1.00 0.00 H new ATOM 0 HA GLU A 67 0.870 -6.638 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.194 -9.085 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.090 -8.162 -6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.506 -8.033 -8.152 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.604 -6.540 -8.322 1.00 0.00 H new ATOM 1110 N LEU A 68 0.320 -6.525 -4.757 1.00 0.00 N ATOM 1111 CA LEU A 68 0.019 -5.620 -3.649 1.00 0.00 C ATOM 1112 C LEU A 68 1.136 -4.595 -3.457 1.00 0.00 C ATOM 1113 O LEU A 68 0.871 -3.424 -3.175 1.00 0.00 O ATOM 1114 CB LEU A 68 -0.207 -6.408 -2.352 1.00 0.00 C ATOM 1115 CG LEU A 68 1.055 -6.979 -1.698 1.00 0.00 C ATOM 1116 CD1 LEU A 68 1.636 -5.992 -0.696 1.00 0.00 C ATOM 1117 CD2 LEU A 68 0.746 -8.306 -1.023 1.00 0.00 C ATOM 0 H LEU A 68 0.518 -7.485 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.897 -5.084 -3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.704 -5.756 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.890 -7.231 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 68 1.799 -7.150 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.532 -6.418 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.894 -5.064 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.900 -5.786 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.652 -8.700 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.015 -8.156 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.379 -9.015 -1.765 1.00 0.00 H new ATOM 1129 N LYS A 69 2.383 -5.038 -3.618 1.00 0.00 N ATOM 1130 CA LYS A 69 3.530 -4.150 -3.469 1.00 0.00 C ATOM 1131 C LYS A 69 3.581 -3.141 -4.615 1.00 0.00 C ATOM 1132 O LYS A 69 3.924 -1.979 -4.405 1.00 0.00 O ATOM 1133 CB LYS A 69 4.836 -4.944 -3.424 1.00 0.00 C ATOM 1134 CG LYS A 69 5.951 -4.236 -2.670 1.00 0.00 C ATOM 1135 CD LYS A 69 7.270 -4.317 -3.420 1.00 0.00 C ATOM 1136 CE LYS A 69 7.587 -3.016 -4.144 1.00 0.00 C ATOM 1137 NZ LYS A 69 8.925 -2.476 -3.763 1.00 0.00 N ATOM 0 H LYS A 69 2.621 -6.002 -3.850 1.00 0.00 H new ATOM 0 HA LYS A 69 3.414 -3.614 -2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.648 -5.910 -2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.167 -5.142 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.682 -3.191 -2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.065 -4.683 -1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.073 -4.549 -2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.229 -5.134 -4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.557 -3.184 -5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.819 -2.277 -3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.101 -1.590 -4.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.946 -2.291 -2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.661 -3.170 -4.005 1.00 0.00 H new ATOM 1151 N ASP A 70 3.235 -3.596 -5.825 1.00 0.00 N ATOM 1152 CA ASP A 70 3.240 -2.726 -7.002 1.00 0.00 C ATOM 1153 C ASP A 70 2.274 -1.563 -6.822 1.00 0.00 C ATOM 1154 O ASP A 70 2.612 -0.415 -7.111 1.00 0.00 O ATOM 1155 CB ASP A 70 2.855 -3.510 -8.265 1.00 0.00 C ATOM 1156 CG ASP A 70 3.290 -2.815 -9.547 1.00 0.00 C ATOM 1157 OD1 ASP A 70 3.348 -1.569 -9.565 1.00 0.00 O ATOM 1158 OD2 ASP A 70 3.576 -3.521 -10.534 1.00 0.00 O ATOM 0 H ASP A 70 2.950 -4.557 -6.012 1.00 0.00 H new ATOM 0 HA ASP A 70 4.252 -2.338 -7.116 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.307 -4.501 -8.223 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.775 -3.653 -8.283 1.00 0.00 H new ATOM 1163 N ASN A 71 1.067 -1.872 -6.353 1.00 0.00 N ATOM 1164 CA ASN A 71 0.041 -0.855 -6.147 1.00 0.00 C ATOM 1165 C ASN A 71 0.401 0.074 -4.985 1.00 0.00 C ATOM 1166 O ASN A 71 0.358 1.298 -5.129 1.00 0.00 O ATOM 1167 CB ASN A 71 -1.316 -1.522 -5.903 1.00 0.00 C ATOM 1168 CG ASN A 71 -2.471 -0.703 -6.447 1.00 0.00 C ATOM 1169 OD1 ASN A 71 -3.360 -0.299 -5.700 1.00 0.00 O ATOM 1170 ND2 ASN A 71 -2.466 -0.457 -7.755 1.00 0.00 N ATOM 0 H ASN A 71 0.776 -2.819 -6.109 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.020 -0.245 -7.049 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.322 -2.507 -6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.455 -1.675 -4.833 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.220 0.086 -8.175 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.708 -0.812 -8.338 1.00 0.00 H new ATOM 1177 N PHE A 72 0.773 -0.505 -3.842 1.00 0.00 N ATOM 1178 CA PHE A 72 1.154 0.285 -2.669 1.00 0.00 C ATOM 1179 C PHE A 72 2.366 1.160 -2.988 1.00 0.00 C ATOM 1180 O PHE A 72 2.383 2.355 -2.680 1.00 0.00 O ATOM 1181 CB PHE A 72 1.451 -0.643 -1.481 1.00 0.00 C ATOM 1182 CG PHE A 72 2.180 0.016 -0.339 1.00 0.00 C ATOM 1183 CD1 PHE A 72 1.798 1.267 0.117 1.00 0.00 C ATOM 1184 CD2 PHE A 72 3.245 -0.621 0.278 1.00 0.00 C ATOM 1185 CE1 PHE A 72 2.466 1.871 1.164 1.00 0.00 C ATOM 1186 CE2 PHE A 72 3.916 -0.023 1.327 1.00 0.00 C ATOM 1187 CZ PHE A 72 3.526 1.225 1.770 1.00 0.00 C ATOM 0 H PHE A 72 0.819 -1.514 -3.703 1.00 0.00 H new ATOM 0 HA PHE A 72 0.324 0.938 -2.399 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.510 -1.048 -1.109 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.044 -1.487 -1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.968 1.776 -0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.554 -1.597 -0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.160 2.848 1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.744 -0.531 1.800 1.00 0.00 H new ATOM 0 HZ PHE A 72 4.049 1.696 2.589 1.00 0.00 H new ATOM 1197 N LYS A 73 3.373 0.558 -3.619 1.00 0.00 N ATOM 1198 CA LYS A 73 4.584 1.275 -3.999 1.00 0.00 C ATOM 1199 C LYS A 73 4.273 2.376 -5.016 1.00 0.00 C ATOM 1200 O LYS A 73 4.888 3.442 -4.986 1.00 0.00 O ATOM 1201 CB LYS A 73 5.620 0.303 -4.575 1.00 0.00 C ATOM 1202 CG LYS A 73 7.015 0.896 -4.719 1.00 0.00 C ATOM 1203 CD LYS A 73 7.201 1.561 -6.075 1.00 0.00 C ATOM 1204 CE LYS A 73 7.922 0.649 -7.055 1.00 0.00 C ATOM 1205 NZ LYS A 73 8.664 1.421 -8.092 1.00 0.00 N ATOM 0 H LYS A 73 3.371 -0.429 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 73 4.995 1.742 -3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.675 -0.576 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.279 -0.038 -5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.184 1.627 -3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.760 0.111 -4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.228 1.836 -6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.767 2.484 -5.953 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.618 0.010 -6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.199 -0.007 -7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.141 0.762 -8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.997 2.012 -8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.372 2.028 -7.632 1.00 0.00 H new ATOM 1219 N LEU A 74 3.318 2.114 -5.915 1.00 0.00 N ATOM 1220 CA LEU A 74 2.944 3.092 -6.936 1.00 0.00 C ATOM 1221 C LEU A 74 2.438 4.384 -6.299 1.00 0.00 C ATOM 1222 O LEU A 74 2.846 5.474 -6.698 1.00 0.00 O ATOM 1223 CB LEU A 74 1.866 2.518 -7.865 1.00 0.00 C ATOM 1224 CG LEU A 74 2.318 2.259 -9.304 1.00 0.00 C ATOM 1225 CD1 LEU A 74 1.394 1.261 -9.987 1.00 0.00 C ATOM 1226 CD2 LEU A 74 2.370 3.563 -10.088 1.00 0.00 C ATOM 0 H LEU A 74 2.795 1.239 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 74 3.836 3.317 -7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.504 1.582 -7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.021 3.207 -7.885 1.00 0.00 H new ATOM 0 HG LEU A 74 3.320 1.832 -9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.733 1.091 -11.009 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.407 0.319 -9.439 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.379 1.657 -10.003 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.693 3.361 -11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.379 4.018 -10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.075 4.245 -9.613 1.00 0.00 H new ATOM 1238 N MET A 75 1.566 4.261 -5.300 1.00 0.00 N ATOM 1239 CA MET A 75 1.035 5.437 -4.613 1.00 0.00 C ATOM 1240 C MET A 75 2.137 6.158 -3.846 1.00 0.00 C ATOM 1241 O MET A 75 2.207 7.387 -3.859 1.00 0.00 O ATOM 1242 CB MET A 75 -0.101 5.054 -3.663 1.00 0.00 C ATOM 1243 CG MET A 75 -1.100 6.181 -3.438 1.00 0.00 C ATOM 1244 SD MET A 75 -1.366 6.539 -1.691 1.00 0.00 S ATOM 1245 CE MET A 75 0.283 7.018 -1.188 1.00 0.00 C ATOM 0 H MET A 75 1.215 3.369 -4.951 1.00 0.00 H new ATOM 0 HA MET A 75 0.637 6.111 -5.371 1.00 0.00 H new ATOM 0 HB2 MET A 75 -0.625 4.187 -4.065 1.00 0.00 H new ATOM 0 HB3 MET A 75 0.321 4.755 -2.704 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.744 7.081 -3.939 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.051 5.915 -3.899 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.353 6.994 -0.100 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.009 6.325 -1.613 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.493 8.027 -1.543 1.00 0.00 H new ATOM 1255 N CYS A 76 3.003 5.388 -3.185 1.00 0.00 N ATOM 1256 CA CYS A 76 4.109 5.956 -2.419 1.00 0.00 C ATOM 1257 C CYS A 76 5.042 6.755 -3.328 1.00 0.00 C ATOM 1258 O CYS A 76 5.464 7.858 -2.978 1.00 0.00 O ATOM 1259 CB CYS A 76 4.893 4.853 -1.703 1.00 0.00 C ATOM 1260 SG CYS A 76 4.594 4.774 0.079 1.00 0.00 S ATOM 0 H CYS A 76 2.958 4.369 -3.166 1.00 0.00 H new ATOM 0 HA CYS A 76 3.690 6.629 -1.671 1.00 0.00 H new ATOM 0 HB2 CYS A 76 4.635 3.892 -2.147 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.958 5.008 -1.876 1.00 0.00 H new ATOM 0 HG CYS A 76 3.834 3.754 0.347 1.00 0.00 H new ATOM 1266 N THR A 77 5.357 6.195 -4.496 1.00 0.00 N ATOM 1267 CA THR A 77 6.238 6.864 -5.450 1.00 0.00 C ATOM 1268 C THR A 77 5.550 8.076 -6.082 1.00 0.00 C ATOM 1269 O THR A 77 6.118 9.167 -6.119 1.00 0.00 O ATOM 1270 CB THR A 77 6.692 5.889 -6.546 1.00 0.00 C ATOM 1271 OG1 THR A 77 7.123 4.656 -5.991 1.00 0.00 O ATOM 1272 CG2 THR A 77 7.825 6.431 -7.391 1.00 0.00 C ATOM 0 H THR A 77 5.016 5.284 -4.802 1.00 0.00 H new ATOM 0 HA THR A 77 7.114 7.212 -4.902 1.00 0.00 H new ATOM 0 HB THR A 77 5.816 5.745 -7.179 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.345 4.145 -5.685 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.100 5.695 -8.147 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.506 7.352 -7.880 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.686 6.637 -6.756 1.00 0.00 H new ATOM 1280 N ASN A 78 4.325 7.876 -6.577 1.00 0.00 N ATOM 1281 CA ASN A 78 3.561 8.949 -7.208 1.00 0.00 C ATOM 1282 C ASN A 78 3.302 10.094 -6.224 1.00 0.00 C ATOM 1283 O ASN A 78 3.400 11.268 -6.586 1.00 0.00 O ATOM 1284 CB ASN A 78 2.229 8.409 -7.740 1.00 0.00 C ATOM 1285 CG ASN A 78 2.394 7.259 -8.725 1.00 0.00 C ATOM 1286 OD1 ASN A 78 1.272 6.744 -9.230 1.00 0.00 O flip ATOM 1287 ND2 ASN A 78 3.510 6.841 -9.035 1.00 0.00 N flip ATOM 0 H ASN A 78 3.843 6.978 -6.551 1.00 0.00 H new ATOM 0 HA ASN A 78 4.150 9.337 -8.039 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.620 8.074 -6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.685 9.219 -8.226 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.344 7.262 -8.626 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.600 6.074 -9.701 1.00 0.00 H new ATOM 1294 N ALA A 79 2.978 9.746 -4.978 1.00 0.00 N ATOM 1295 CA ALA A 79 2.715 10.746 -3.948 1.00 0.00 C ATOM 1296 C ALA A 79 3.999 11.481 -3.564 1.00 0.00 C ATOM 1297 O ALA A 79 3.992 12.698 -3.385 1.00 0.00 O ATOM 1298 CB ALA A 79 2.087 10.100 -2.721 1.00 0.00 C ATOM 0 H ALA A 79 2.892 8.781 -4.660 1.00 0.00 H new ATOM 0 HA ALA A 79 2.012 11.473 -4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.899 10.862 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.146 9.626 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.766 9.349 -2.318 1.00 0.00 H new ATOM 1304 N MET A 80 5.100 10.734 -3.446 1.00 0.00 N ATOM 1305 CA MET A 80 6.391 11.323 -3.088 1.00 0.00 C ATOM 1306 C MET A 80 6.883 12.272 -4.179 1.00 0.00 C ATOM 1307 O MET A 80 7.292 13.397 -3.889 1.00 0.00 O ATOM 1308 CB MET A 80 7.435 10.230 -2.843 1.00 0.00 C ATOM 1309 CG MET A 80 7.579 9.847 -1.377 1.00 0.00 C ATOM 1310 SD MET A 80 8.773 8.521 -1.115 1.00 0.00 S ATOM 1311 CE MET A 80 10.114 9.054 -2.174 1.00 0.00 C ATOM 0 H MET A 80 5.123 9.725 -3.593 1.00 0.00 H new ATOM 0 HA MET A 80 6.251 11.892 -2.169 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.164 9.344 -3.417 1.00 0.00 H new ATOM 0 HB3 MET A 80 8.400 10.570 -3.218 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.885 10.723 -0.806 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.608 9.537 -0.990 1.00 0.00 H new ATOM 0 HE1 MET A 80 11.065 8.752 -1.736 1.00 0.00 H new ATOM 0 HE2 MET A 80 10.005 8.596 -3.157 1.00 0.00 H new ATOM 0 HE3 MET A 80 10.089 10.139 -2.275 1.00 0.00 H new ATOM 1321 N ILE A 81 6.841 11.816 -5.434 1.00 0.00 N ATOM 1322 CA ILE A 81 7.287 12.639 -6.558 1.00 0.00 C ATOM 1323 C ILE A 81 6.498 13.950 -6.631 1.00 0.00 C ATOM 1324 O ILE A 81 7.061 14.997 -6.957 1.00 0.00 O ATOM 1325 CB ILE A 81 7.187 11.884 -7.905 1.00 0.00 C ATOM 1326 CG1 ILE A 81 7.819 12.707 -9.031 1.00 0.00 C ATOM 1327 CG2 ILE A 81 5.743 11.542 -8.241 1.00 0.00 C ATOM 1328 CD1 ILE A 81 9.333 12.671 -9.034 1.00 0.00 C ATOM 0 H ILE A 81 6.505 10.889 -5.695 1.00 0.00 H new ATOM 0 HA ILE A 81 8.337 12.870 -6.380 1.00 0.00 H new ATOM 0 HB ILE A 81 7.738 10.949 -7.805 1.00 0.00 H new ATOM 0 HG12 ILE A 81 7.454 12.337 -9.989 1.00 0.00 H new ATOM 0 HG13 ILE A 81 7.489 13.742 -8.942 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.707 11.012 -9.193 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.327 10.909 -7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.159 12.460 -8.314 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.710 13.276 -9.859 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.708 13.069 -8.091 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.672 11.642 -9.154 1.00 0.00 H new ATOM 1340 N TYR A 82 5.201 13.895 -6.314 1.00 0.00 N ATOM 1341 CA TYR A 82 4.362 15.095 -6.335 1.00 0.00 C ATOM 1342 C TYR A 82 4.221 15.698 -4.934 1.00 0.00 C ATOM 1343 O TYR A 82 3.182 16.269 -4.594 1.00 0.00 O ATOM 1344 CB TYR A 82 2.977 14.777 -6.914 1.00 0.00 C ATOM 1345 CG TYR A 82 2.381 15.913 -7.722 1.00 0.00 C ATOM 1346 CD1 TYR A 82 3.146 16.615 -8.647 1.00 0.00 C ATOM 1347 CD2 TYR A 82 1.050 16.283 -7.559 1.00 0.00 C ATOM 1348 CE1 TYR A 82 2.604 17.648 -9.386 1.00 0.00 C ATOM 1349 CE2 TYR A 82 0.501 17.316 -8.296 1.00 0.00 C ATOM 1350 CZ TYR A 82 1.281 17.994 -9.208 1.00 0.00 C ATOM 1351 OH TYR A 82 0.735 19.024 -9.941 1.00 0.00 O ATOM 0 H TYR A 82 4.714 13.041 -6.042 1.00 0.00 H new ATOM 0 HA TYR A 82 4.851 15.829 -6.975 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.051 13.892 -7.547 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.299 14.529 -6.097 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.183 16.348 -8.790 1.00 0.00 H new ATOM 0 HD2 TYR A 82 0.435 15.755 -6.845 1.00 0.00 H new ATOM 0 HE1 TYR A 82 3.213 18.182 -10.100 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.534 17.590 -8.158 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.207 19.137 -9.695 1.00 0.00 H new ATOM 1361 N ASN A 83 5.278 15.580 -4.125 1.00 0.00 N ATOM 1362 CA ASN A 83 5.275 16.123 -2.770 1.00 0.00 C ATOM 1363 C ASN A 83 6.693 16.178 -2.202 1.00 0.00 C ATOM 1364 O ASN A 83 7.151 15.236 -1.553 1.00 0.00 O ATOM 1365 CB ASN A 83 4.372 15.286 -1.853 1.00 0.00 C ATOM 1366 CG ASN A 83 3.563 16.149 -0.903 1.00 0.00 C ATOM 1367 OD1 ASN A 83 4.119 16.906 -0.109 1.00 0.00 O ATOM 1368 ND2 ASN A 83 2.240 16.039 -0.980 1.00 0.00 N ATOM 0 H ASN A 83 6.145 15.112 -4.388 1.00 0.00 H new ATOM 0 HA ASN A 83 4.881 17.138 -2.817 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.696 14.686 -2.461 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.985 14.592 -1.278 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.645 16.595 -0.366 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.820 15.398 -1.653 1.00 0.00 H new ATOM 1375 N LYS A 84 7.378 17.296 -2.446 1.00 0.00 N ATOM 1376 CA LYS A 84 8.742 17.489 -1.955 1.00 0.00 C ATOM 1377 C LYS A 84 8.748 17.590 -0.430 1.00 0.00 C ATOM 1378 O LYS A 84 7.690 17.716 0.187 1.00 0.00 O ATOM 1379 CB LYS A 84 9.350 18.756 -2.568 1.00 0.00 C ATOM 1380 CG LYS A 84 10.262 18.486 -3.756 1.00 0.00 C ATOM 1381 CD LYS A 84 11.332 19.561 -3.891 1.00 0.00 C ATOM 1382 CE LYS A 84 11.734 19.778 -5.344 1.00 0.00 C ATOM 1383 NZ LYS A 84 12.346 18.560 -5.950 1.00 0.00 N ATOM 0 H LYS A 84 7.010 18.082 -2.981 1.00 0.00 H new ATOM 0 HA LYS A 84 9.343 16.630 -2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.544 19.419 -2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.915 19.285 -1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.736 17.512 -3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.669 18.444 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.962 20.497 -3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.209 19.276 -3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.856 20.067 -5.922 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.441 20.605 -5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.619 18.761 -6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.189 18.288 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.657 17.781 -5.934 1.00 0.00 H new ATOM 1397 N PRO A 85 9.940 17.533 0.204 1.00 0.00 N ATOM 1398 CA PRO A 85 10.067 17.617 1.666 1.00 0.00 C ATOM 1399 C PRO A 85 9.558 18.952 2.214 1.00 0.00 C ATOM 1400 O PRO A 85 10.339 19.844 2.551 1.00 0.00 O ATOM 1401 CB PRO A 85 11.573 17.460 1.913 1.00 0.00 C ATOM 1402 CG PRO A 85 12.216 17.805 0.614 1.00 0.00 C ATOM 1403 CD PRO A 85 11.250 17.372 -0.450 1.00 0.00 C ATOM 0 HA PRO A 85 9.469 16.859 2.172 1.00 0.00 H new ATOM 0 HB2 PRO A 85 11.913 18.122 2.710 1.00 0.00 H new ATOM 0 HB3 PRO A 85 11.819 16.443 2.217 1.00 0.00 H new ATOM 0 HG2 PRO A 85 12.416 18.875 0.549 1.00 0.00 H new ATOM 0 HG3 PRO A 85 13.173 17.295 0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 85 11.333 17.989 -1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 85 11.424 16.341 -0.757 1.00 0.00 H new ATOM 1411 N GLU A 86 8.235 19.075 2.284 1.00 0.00 N ATOM 1412 CA GLU A 86 7.584 20.288 2.774 1.00 0.00 C ATOM 1413 C GLU A 86 7.495 20.292 4.300 1.00 0.00 C ATOM 1414 O GLU A 86 8.023 21.188 4.959 1.00 0.00 O ATOM 1415 CB GLU A 86 6.179 20.405 2.175 1.00 0.00 C ATOM 1416 CG GLU A 86 6.098 21.343 0.982 1.00 0.00 C ATOM 1417 CD GLU A 86 4.687 21.840 0.729 1.00 0.00 C ATOM 1418 OE1 GLU A 86 3.846 21.033 0.278 1.00 0.00 O ATOM 1419 OE2 GLU A 86 4.423 23.033 0.986 1.00 0.00 O ATOM 0 H GLU A 86 7.586 18.340 2.004 1.00 0.00 H new ATOM 0 HA GLU A 86 8.187 21.142 2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.840 19.415 1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.493 20.753 2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.756 22.196 1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.463 20.828 0.093 1.00 0.00 H new ATOM 1426 N THR A 87 6.816 19.287 4.852 1.00 0.00 N ATOM 1427 CA THR A 87 6.646 19.177 6.297 1.00 0.00 C ATOM 1428 C THR A 87 6.734 17.717 6.751 1.00 0.00 C ATOM 1429 O THR A 87 7.806 17.247 7.138 1.00 0.00 O ATOM 1430 CB THR A 87 5.308 19.801 6.721 1.00 0.00 C ATOM 1431 OG1 THR A 87 4.396 19.851 5.631 1.00 0.00 O ATOM 1432 CG2 THR A 87 5.449 21.209 7.261 1.00 0.00 C ATOM 0 H THR A 87 6.375 18.538 4.318 1.00 0.00 H new ATOM 0 HA THR A 87 7.455 19.724 6.782 1.00 0.00 H new ATOM 0 HB THR A 87 4.934 19.154 7.515 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.552 20.251 5.929 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.468 21.591 7.542 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.099 21.200 8.136 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.882 21.851 6.494 1.00 0.00 H new ATOM 1440 N ILE A 88 5.607 17.002 6.703 1.00 0.00 N ATOM 1441 CA ILE A 88 5.568 15.598 7.108 1.00 0.00 C ATOM 1442 C ILE A 88 4.998 14.703 5.998 1.00 0.00 C ATOM 1443 O ILE A 88 4.865 13.493 6.183 1.00 0.00 O ATOM 1444 CB ILE A 88 4.735 15.407 8.398 1.00 0.00 C ATOM 1445 CG1 ILE A 88 5.126 16.446 9.457 1.00 0.00 C ATOM 1446 CG2 ILE A 88 4.920 13.996 8.949 1.00 0.00 C ATOM 1447 CD1 ILE A 88 4.237 17.673 9.466 1.00 0.00 C ATOM 0 H ILE A 88 4.711 17.374 6.388 1.00 0.00 H new ATOM 0 HA ILE A 88 6.599 15.301 7.302 1.00 0.00 H new ATOM 0 HB ILE A 88 3.684 15.550 8.148 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.094 15.978 10.441 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.157 16.757 9.285 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.327 13.879 9.856 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.593 13.269 8.205 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.972 13.830 9.179 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.575 18.362 10.240 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.287 18.166 8.495 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.208 17.375 9.669 1.00 0.00 H new ATOM 1459 N TYR A 89 4.671 15.294 4.843 1.00 0.00 N ATOM 1460 CA TYR A 89 4.129 14.530 3.720 1.00 0.00 C ATOM 1461 C TYR A 89 5.175 13.558 3.175 1.00 0.00 C ATOM 1462 O TYR A 89 4.883 12.382 2.954 1.00 0.00 O ATOM 1463 CB TYR A 89 3.656 15.471 2.606 1.00 0.00 C ATOM 1464 CG TYR A 89 2.302 16.092 2.867 1.00 0.00 C ATOM 1465 CD1 TYR A 89 2.129 17.036 3.873 1.00 0.00 C ATOM 1466 CD2 TYR A 89 1.197 15.736 2.104 1.00 0.00 C ATOM 1467 CE1 TYR A 89 0.894 17.607 4.110 1.00 0.00 C ATOM 1468 CE2 TYR A 89 -0.041 16.304 2.334 1.00 0.00 C ATOM 1469 CZ TYR A 89 -0.188 17.238 3.338 1.00 0.00 C ATOM 1470 OH TYR A 89 -1.421 17.805 3.568 1.00 0.00 O ATOM 0 H TYR A 89 4.772 16.293 4.665 1.00 0.00 H new ATOM 0 HA TYR A 89 3.275 13.957 4.081 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.391 16.265 2.477 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.617 14.918 1.668 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.974 17.328 4.479 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.308 15.003 1.318 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.776 18.339 4.896 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.890 16.018 1.730 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.073 17.436 2.936 1.00 0.00 H new ATOM 1480 N TYR A 90 6.397 14.057 2.976 1.00 0.00 N ATOM 1481 CA TYR A 90 7.495 13.231 2.473 1.00 0.00 C ATOM 1482 C TYR A 90 7.838 12.126 3.475 1.00 0.00 C ATOM 1483 O TYR A 90 8.040 10.973 3.094 1.00 0.00 O ATOM 1484 CB TYR A 90 8.732 14.094 2.196 1.00 0.00 C ATOM 1485 CG TYR A 90 9.921 13.316 1.670 1.00 0.00 C ATOM 1486 CD1 TYR A 90 9.882 12.710 0.420 1.00 0.00 C ATOM 1487 CD2 TYR A 90 11.084 13.193 2.422 1.00 0.00 C ATOM 1488 CE1 TYR A 90 10.966 12.002 -0.063 1.00 0.00 C ATOM 1489 CE2 TYR A 90 12.171 12.487 1.945 1.00 0.00 C ATOM 1490 CZ TYR A 90 12.108 11.895 0.702 1.00 0.00 C ATOM 1491 OH TYR A 90 13.189 11.193 0.224 1.00 0.00 O ATOM 0 H TYR A 90 6.650 15.029 3.156 1.00 0.00 H new ATOM 0 HA TYR A 90 7.175 12.768 1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.469 14.867 1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.021 14.602 3.116 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.990 12.794 -0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 90 11.138 13.657 3.396 1.00 0.00 H new ATOM 0 HE1 TYR A 90 10.919 11.535 -1.035 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.066 12.399 2.543 1.00 0.00 H new ATOM 0 HH TYR A 90 13.912 11.215 0.885 1.00 0.00 H new ATOM 1501 N LYS A 91 7.896 12.489 4.758 1.00 0.00 N ATOM 1502 CA LYS A 91 8.207 11.530 5.815 1.00 0.00 C ATOM 1503 C LYS A 91 7.077 10.516 5.985 1.00 0.00 C ATOM 1504 O LYS A 91 7.330 9.336 6.216 1.00 0.00 O ATOM 1505 CB LYS A 91 8.464 12.250 7.142 1.00 0.00 C ATOM 1506 CG LYS A 91 9.940 12.415 7.467 1.00 0.00 C ATOM 1507 CD LYS A 91 10.151 12.847 8.909 1.00 0.00 C ATOM 1508 CE LYS A 91 10.137 11.659 9.858 1.00 0.00 C ATOM 1509 NZ LYS A 91 9.925 12.079 11.272 1.00 0.00 N ATOM 0 H LYS A 91 7.731 13.440 5.088 1.00 0.00 H new ATOM 0 HA LYS A 91 9.111 10.997 5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.995 13.234 7.109 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.983 11.694 7.947 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.460 11.474 7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.380 13.154 6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.102 13.372 8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.371 13.552 9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.348 10.968 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.080 11.119 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.922 11.240 11.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.692 12.719 11.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.013 12.572 11.355 1.00 0.00 H new ATOM 1523 N ALA A 92 5.832 10.984 5.868 1.00 0.00 N ATOM 1524 CA ALA A 92 4.665 10.112 6.006 1.00 0.00 C ATOM 1525 C ALA A 92 4.712 8.969 4.995 1.00 0.00 C ATOM 1526 O ALA A 92 4.435 7.818 5.337 1.00 0.00 O ATOM 1527 CB ALA A 92 3.379 10.911 5.840 1.00 0.00 C ATOM 0 H ALA A 92 5.607 11.961 5.678 1.00 0.00 H new ATOM 0 HA ALA A 92 4.684 9.682 7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.522 10.246 5.946 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.332 11.688 6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.362 11.371 4.852 1.00 0.00 H new ATOM 1533 N ALA A 93 5.068 9.294 3.751 1.00 0.00 N ATOM 1534 CA ALA A 93 5.157 8.294 2.689 1.00 0.00 C ATOM 1535 C ALA A 93 6.312 7.326 2.937 1.00 0.00 C ATOM 1536 O ALA A 93 6.168 6.117 2.750 1.00 0.00 O ATOM 1537 CB ALA A 93 5.311 8.970 1.331 1.00 0.00 C ATOM 0 H ALA A 93 5.299 10.242 3.455 1.00 0.00 H new ATOM 0 HA ALA A 93 4.231 7.720 2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.376 8.211 0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 93 4.449 9.610 1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.219 9.573 1.326 1.00 0.00 H new ATOM 1543 N LYS A 94 7.458 7.863 3.362 1.00 0.00 N ATOM 1544 CA LYS A 94 8.637 7.045 3.636 1.00 0.00 C ATOM 1545 C LYS A 94 8.401 6.111 4.829 1.00 0.00 C ATOM 1546 O LYS A 94 8.725 4.925 4.767 1.00 0.00 O ATOM 1547 CB LYS A 94 9.858 7.934 3.899 1.00 0.00 C ATOM 1548 CG LYS A 94 10.946 7.804 2.842 1.00 0.00 C ATOM 1549 CD LYS A 94 12.333 7.945 3.448 1.00 0.00 C ATOM 1550 CE LYS A 94 13.416 7.486 2.481 1.00 0.00 C ATOM 1551 NZ LYS A 94 14.531 8.471 2.377 1.00 0.00 N ATOM 0 H LYS A 94 7.592 8.861 3.523 1.00 0.00 H new ATOM 0 HA LYS A 94 8.827 6.432 2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.535 8.974 3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.277 7.682 4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.861 6.836 2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.803 8.566 2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.507 8.985 3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.391 7.359 4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.812 6.525 2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.978 7.330 1.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.245 8.118 1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.160 9.381 2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.967 8.602 3.312 1.00 0.00 H new ATOM 1565 N LYS A 95 7.834 6.655 5.909 1.00 0.00 N ATOM 1566 CA LYS A 95 7.556 5.865 7.111 1.00 0.00 C ATOM 1567 C LYS A 95 6.586 4.726 6.801 1.00 0.00 C ATOM 1568 O LYS A 95 6.819 3.582 7.194 1.00 0.00 O ATOM 1569 CB LYS A 95 6.986 6.755 8.222 1.00 0.00 C ATOM 1570 CG LYS A 95 7.819 6.747 9.496 1.00 0.00 C ATOM 1571 CD LYS A 95 8.894 7.821 9.468 1.00 0.00 C ATOM 1572 CE LYS A 95 10.024 7.507 10.438 1.00 0.00 C ATOM 1573 NZ LYS A 95 9.857 8.206 11.745 1.00 0.00 N ATOM 0 H LYS A 95 7.559 7.635 5.976 1.00 0.00 H new ATOM 0 HA LYS A 95 8.496 5.434 7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.910 7.778 7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.974 6.425 8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.169 6.904 10.357 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.284 5.769 9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.295 7.910 8.458 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.453 8.785 9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.067 6.431 10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.975 7.798 9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.649 7.962 12.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.842 9.234 11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.963 7.910 12.185 1.00 0.00 H new ATOM 1587 N LEU A 96 5.505 5.043 6.088 1.00 0.00 N ATOM 1588 CA LEU A 96 4.509 4.040 5.716 1.00 0.00 C ATOM 1589 C LEU A 96 5.129 2.973 4.810 1.00 0.00 C ATOM 1590 O LEU A 96 4.754 1.802 4.878 1.00 0.00 O ATOM 1591 CB LEU A 96 3.314 4.700 5.017 1.00 0.00 C ATOM 1592 CG LEU A 96 1.939 4.176 5.445 1.00 0.00 C ATOM 1593 CD1 LEU A 96 1.365 5.023 6.573 1.00 0.00 C ATOM 1594 CD2 LEU A 96 0.984 4.145 4.259 1.00 0.00 C ATOM 0 H LEU A 96 5.298 5.985 5.757 1.00 0.00 H new ATOM 0 HA LEU A 96 4.156 3.558 6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.351 5.773 5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.420 4.560 3.941 1.00 0.00 H new ATOM 0 HG LEU A 96 2.063 3.158 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.389 4.633 6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.036 4.989 7.431 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.259 6.054 6.236 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.013 3.770 4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.869 5.152 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.386 3.491 3.485 1.00 0.00 H new ATOM 1606 N LEU A 97 6.082 3.385 3.971 1.00 0.00 N ATOM 1607 CA LEU A 97 6.758 2.461 3.062 1.00 0.00 C ATOM 1608 C LEU A 97 7.491 1.369 3.843 1.00 0.00 C ATOM 1609 O LEU A 97 7.397 0.188 3.505 1.00 0.00 O ATOM 1610 CB LEU A 97 7.752 3.214 2.169 1.00 0.00 C ATOM 1611 CG LEU A 97 7.764 2.786 0.698 1.00 0.00 C ATOM 1612 CD1 LEU A 97 8.542 3.790 -0.144 1.00 0.00 C ATOM 1613 CD2 LEU A 97 8.357 1.390 0.551 1.00 0.00 C ATOM 0 H LEU A 97 6.402 4.351 3.903 1.00 0.00 H new ATOM 0 HA LEU A 97 5.999 1.994 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.525 4.279 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.754 3.082 2.577 1.00 0.00 H new ATOM 0 HG LEU A 97 6.735 2.761 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.540 3.470 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.074 4.771 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.569 3.848 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.357 1.104 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.380 1.388 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.759 0.679 1.121 1.00 0.00 H new ATOM 1625 N HIS A 98 8.214 1.772 4.889 1.00 0.00 N ATOM 1626 CA HIS A 98 8.957 0.824 5.722 1.00 0.00 C ATOM 1627 C HIS A 98 8.001 -0.115 6.458 1.00 0.00 C ATOM 1628 O HIS A 98 8.304 -1.295 6.652 1.00 0.00 O ATOM 1629 CB HIS A 98 9.838 1.565 6.731 1.00 0.00 C ATOM 1630 CG HIS A 98 11.275 1.646 6.321 1.00 0.00 C ATOM 1631 ND1 HIS A 98 11.878 2.816 5.907 1.00 0.00 N ATOM 1632 CD2 HIS A 98 12.234 0.691 6.263 1.00 0.00 C ATOM 1633 CE1 HIS A 98 13.144 2.576 5.611 1.00 0.00 C ATOM 1634 NE2 HIS A 98 13.384 1.295 5.821 1.00 0.00 N ATOM 0 H HIS A 98 8.301 2.746 5.179 1.00 0.00 H new ATOM 0 HA HIS A 98 9.595 0.231 5.067 1.00 0.00 H new ATOM 0 HB2 HIS A 98 9.450 2.574 6.868 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.771 1.064 7.697 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.115 -0.352 6.517 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.860 3.304 5.258 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.280 0.829 5.678 1.00 0.00 H new ATOM 1643 N SER A 99 6.845 0.413 6.859 1.00 0.00 N ATOM 1644 CA SER A 99 5.841 -0.380 7.563 1.00 0.00 C ATOM 1645 C SER A 99 5.217 -1.413 6.627 1.00 0.00 C ATOM 1646 O SER A 99 5.007 -2.560 7.013 1.00 0.00 O ATOM 1647 CB SER A 99 4.745 0.524 8.137 1.00 0.00 C ATOM 1648 OG SER A 99 5.278 1.477 9.041 1.00 0.00 O ATOM 0 H SER A 99 6.582 1.387 6.708 1.00 0.00 H new ATOM 0 HA SER A 99 6.337 -0.900 8.383 1.00 0.00 H new ATOM 0 HB2 SER A 99 4.234 1.039 7.324 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.999 -0.086 8.647 1.00 0.00 H new ATOM 0 HG SER A 99 5.771 2.161 8.542 1.00 0.00 H new ATOM 1654 N GLY A 100 4.925 -0.996 5.394 1.00 0.00 N ATOM 1655 CA GLY A 100 4.328 -1.897 4.424 1.00 0.00 C ATOM 1656 C GLY A 100 5.266 -3.012 3.997 1.00 0.00 C ATOM 1657 O GLY A 100 4.873 -4.179 3.971 1.00 0.00 O ATOM 0 H GLY A 100 5.092 -0.050 5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.424 -2.333 4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 100 4.025 -1.328 3.545 1.00 0.00 H new ATOM 1661 N MET A 101 6.510 -2.655 3.660 1.00 0.00 N ATOM 1662 CA MET A 101 7.502 -3.634 3.229 1.00 0.00 C ATOM 1663 C MET A 101 7.756 -4.694 4.304 1.00 0.00 C ATOM 1664 O MET A 101 7.918 -5.873 3.985 1.00 0.00 O ATOM 1665 CB MET A 101 8.816 -2.940 2.843 1.00 0.00 C ATOM 1666 CG MET A 101 9.393 -2.033 3.921 1.00 0.00 C ATOM 1667 SD MET A 101 10.498 -2.905 5.051 1.00 0.00 S ATOM 1668 CE MET A 101 11.842 -3.334 3.949 1.00 0.00 C ATOM 0 H MET A 101 6.850 -1.693 3.679 1.00 0.00 H new ATOM 0 HA MET A 101 7.100 -4.140 2.351 1.00 0.00 H new ATOM 0 HB2 MET A 101 9.555 -3.702 2.594 1.00 0.00 H new ATOM 0 HB3 MET A 101 8.649 -2.351 1.941 1.00 0.00 H new ATOM 0 HG2 MET A 101 9.936 -1.215 3.448 1.00 0.00 H new ATOM 0 HG3 MET A 101 8.577 -1.588 4.490 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.772 -3.392 4.515 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.638 -4.299 3.485 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.935 -2.572 3.175 1.00 0.00 H new ATOM 1678 N LYS A 102 7.787 -4.279 5.574 1.00 0.00 N ATOM 1679 CA LYS A 102 8.019 -5.222 6.670 1.00 0.00 C ATOM 1680 C LYS A 102 6.842 -6.186 6.832 1.00 0.00 C ATOM 1681 O LYS A 102 7.041 -7.372 7.092 1.00 0.00 O ATOM 1682 CB LYS A 102 8.292 -4.482 7.986 1.00 0.00 C ATOM 1683 CG LYS A 102 7.123 -3.657 8.494 1.00 0.00 C ATOM 1684 CD LYS A 102 7.108 -3.594 10.010 1.00 0.00 C ATOM 1685 CE LYS A 102 5.855 -2.906 10.528 1.00 0.00 C ATOM 1686 NZ LYS A 102 4.860 -3.882 11.056 1.00 0.00 N ATOM 0 H LYS A 102 7.656 -3.310 5.865 1.00 0.00 H new ATOM 0 HA LYS A 102 8.903 -5.807 6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.566 -5.211 8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.152 -3.826 7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.184 -2.648 8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.188 -4.089 8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.165 -4.603 10.417 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.990 -3.058 10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.127 -2.203 11.316 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.402 -2.325 9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.021 -3.372 11.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.581 -4.537 10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.283 -4.419 11.840 1.00 0.00 H new ATOM 1700 N ILE A 103 5.618 -5.679 6.663 1.00 0.00 N ATOM 1701 CA ILE A 103 4.425 -6.518 6.777 1.00 0.00 C ATOM 1702 C ILE A 103 4.341 -7.495 5.602 1.00 0.00 C ATOM 1703 O ILE A 103 3.885 -8.628 5.762 1.00 0.00 O ATOM 1704 CB ILE A 103 3.125 -5.685 6.837 1.00 0.00 C ATOM 1705 CG1 ILE A 103 3.187 -4.661 7.973 1.00 0.00 C ATOM 1706 CG2 ILE A 103 1.918 -6.597 7.019 1.00 0.00 C ATOM 1707 CD1 ILE A 103 2.361 -3.417 7.713 1.00 0.00 C ATOM 0 H ILE A 103 5.429 -4.700 6.449 1.00 0.00 H new ATOM 0 HA ILE A 103 4.519 -7.068 7.713 1.00 0.00 H new ATOM 0 HB ILE A 103 3.022 -5.148 5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.841 -5.131 8.894 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.225 -4.371 8.133 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.010 -5.995 7.059 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.856 -7.291 6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.023 -7.158 7.947 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.452 -2.736 8.559 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.721 -2.924 6.810 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.315 -3.695 7.582 1.00 0.00 H new ATOM 1719 N LEU A 104 4.782 -7.049 4.423 1.00 0.00 N ATOM 1720 CA LEU A 104 4.759 -7.886 3.222 1.00 0.00 C ATOM 1721 C LEU A 104 5.507 -9.202 3.444 1.00 0.00 C ATOM 1722 O LEU A 104 5.144 -10.230 2.872 1.00 0.00 O ATOM 1723 CB LEU A 104 5.371 -7.137 2.035 1.00 0.00 C ATOM 1724 CG LEU A 104 4.374 -6.708 0.958 1.00 0.00 C ATOM 1725 CD1 LEU A 104 4.592 -5.250 0.580 1.00 0.00 C ATOM 1726 CD2 LEU A 104 4.488 -7.608 -0.266 1.00 0.00 C ATOM 0 H LEU A 104 5.159 -6.113 4.275 1.00 0.00 H new ATOM 0 HA LEU A 104 3.717 -8.117 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.883 -6.250 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.128 -7.772 1.575 1.00 0.00 H new ATOM 0 HG LEU A 104 3.366 -6.808 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.874 -4.962 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.454 -4.622 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.604 -5.121 0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.771 -7.287 -1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.497 -7.543 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.278 -8.639 0.019 1.00 0.00 H new ATOM 1738 N SER A 105 6.551 -9.167 4.278 1.00 0.00 N ATOM 1739 CA SER A 105 7.340 -10.365 4.569 1.00 0.00 C ATOM 1740 C SER A 105 6.732 -11.181 5.721 1.00 0.00 C ATOM 1741 O SER A 105 7.341 -12.146 6.188 1.00 0.00 O ATOM 1742 CB SER A 105 8.787 -9.984 4.906 1.00 0.00 C ATOM 1743 OG SER A 105 8.871 -9.325 6.159 1.00 0.00 O ATOM 0 H SER A 105 6.867 -8.326 4.761 1.00 0.00 H new ATOM 0 HA SER A 105 7.330 -10.988 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.406 -10.881 4.923 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.185 -9.336 4.125 1.00 0.00 H new ATOM 0 HG SER A 105 8.116 -8.707 6.255 1.00 0.00 H new ATOM 1749 N GLN A 106 5.534 -10.798 6.173 1.00 0.00 N ATOM 1750 CA GLN A 106 4.863 -11.503 7.261 1.00 0.00 C ATOM 1751 C GLN A 106 3.682 -12.333 6.754 1.00 0.00 C ATOM 1752 O GLN A 106 3.242 -13.263 7.430 1.00 0.00 O ATOM 1753 CB GLN A 106 4.379 -10.510 8.318 1.00 0.00 C ATOM 1754 CG GLN A 106 5.497 -9.900 9.148 1.00 0.00 C ATOM 1755 CD GLN A 106 4.981 -9.088 10.323 1.00 0.00 C ATOM 1756 OE1 GLN A 106 3.779 -9.049 10.588 1.00 0.00 O ATOM 1757 NE2 GLN A 106 5.889 -8.430 11.036 1.00 0.00 N ATOM 0 H GLN A 106 5.012 -10.004 5.801 1.00 0.00 H new ATOM 0 HA GLN A 106 5.589 -12.184 7.706 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.828 -9.709 7.825 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.680 -11.015 8.984 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.144 -10.695 9.518 1.00 0.00 H new ATOM 0 HG3 GLN A 106 6.109 -9.261 8.511 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.876 -8.488 10.784 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.599 -7.867 11.836 1.00 0.00 H new ATOM 1766 N GLU A 107 3.169 -11.996 5.567 1.00 0.00 N ATOM 1767 CA GLU A 107 2.038 -12.723 4.988 1.00 0.00 C ATOM 1768 C GLU A 107 2.357 -14.214 4.843 1.00 0.00 C ATOM 1769 O GLU A 107 1.472 -15.058 4.984 1.00 0.00 O ATOM 1770 CB GLU A 107 1.658 -12.138 3.624 1.00 0.00 C ATOM 1771 CG GLU A 107 1.386 -10.642 3.649 1.00 0.00 C ATOM 1772 CD GLU A 107 1.015 -10.097 2.284 1.00 0.00 C ATOM 1773 OE1 GLU A 107 1.924 -9.954 1.438 1.00 0.00 O ATOM 1774 OE2 GLU A 107 -0.179 -9.812 2.060 1.00 0.00 O ATOM 0 H GLU A 107 3.517 -11.229 4.992 1.00 0.00 H new ATOM 0 HA GLU A 107 1.193 -12.613 5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.462 -12.339 2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.771 -12.652 3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.579 -10.434 4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.270 -10.121 4.017 1.00 0.00 H new ATOM 1781 N ARG A 108 3.625 -14.531 4.570 1.00 0.00 N ATOM 1782 CA ARG A 108 4.054 -15.920 4.416 1.00 0.00 C ATOM 1783 C ARG A 108 4.655 -16.460 5.722 1.00 0.00 C ATOM 1784 O ARG A 108 5.549 -17.310 5.702 1.00 0.00 O ATOM 1785 CB ARG A 108 5.070 -16.030 3.275 1.00 0.00 C ATOM 1786 CG ARG A 108 5.098 -17.396 2.605 1.00 0.00 C ATOM 1787 CD ARG A 108 6.222 -17.495 1.582 1.00 0.00 C ATOM 1788 NE ARG A 108 5.725 -17.854 0.253 1.00 0.00 N ATOM 1789 CZ ARG A 108 5.205 -16.978 -0.615 1.00 0.00 C ATOM 1790 NH1 ARG A 108 5.114 -15.687 -0.299 1.00 0.00 N ATOM 1791 NH2 ARG A 108 4.775 -17.395 -1.800 1.00 0.00 N ATOM 0 H ARG A 108 4.370 -13.845 4.452 1.00 0.00 H new ATOM 0 HA ARG A 108 3.180 -16.525 4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 108 4.843 -15.273 2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 108 6.064 -15.806 3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 108 5.224 -18.171 3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 108 4.142 -17.582 2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.747 -16.541 1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 108 6.947 -18.239 1.911 1.00 0.00 H new ATOM 0 HE ARG A 108 5.778 -18.833 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 108 5.442 -15.360 0.610 1.00 0.00 H new ATOM 0 HH12 ARG A 108 4.716 -15.025 -0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 108 4.841 -18.382 -2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 108 4.379 -16.728 -2.462 1.00 0.00 H new ATOM 1805 N LEU A 109 4.153 -15.968 6.861 1.00 0.00 N ATOM 1806 CA LEU A 109 4.636 -16.405 8.168 1.00 0.00 C ATOM 1807 C LEU A 109 3.887 -17.659 8.620 1.00 0.00 C ATOM 1808 O LEU A 109 2.869 -17.574 9.311 1.00 0.00 O ATOM 1809 CB LEU A 109 4.473 -15.286 9.204 1.00 0.00 C ATOM 1810 CG LEU A 109 5.153 -15.543 10.554 1.00 0.00 C ATOM 1811 CD1 LEU A 109 5.697 -14.246 11.138 1.00 0.00 C ATOM 1812 CD2 LEU A 109 4.180 -16.202 11.523 1.00 0.00 C ATOM 0 H LEU A 109 3.413 -15.267 6.900 1.00 0.00 H new ATOM 0 HA LEU A 109 5.696 -16.644 8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 109 4.872 -14.363 8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.409 -15.124 9.376 1.00 0.00 H new ATOM 0 HG LEU A 109 5.991 -16.221 10.393 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.175 -14.451 12.096 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.427 -13.816 10.452 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.878 -13.541 11.285 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.679 -16.378 12.476 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.322 -15.548 11.677 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.843 -17.152 11.110 1.00 0.00 H new ATOM 1824 N GLU A 110 4.398 -18.818 8.215 1.00 0.00 N ATOM 1825 CA GLU A 110 3.787 -20.096 8.563 1.00 0.00 C ATOM 1826 C GLU A 110 4.830 -21.064 9.120 1.00 0.00 C ATOM 1827 O GLU A 110 5.988 -20.694 9.325 1.00 0.00 O ATOM 1828 CB GLU A 110 3.109 -20.701 7.330 1.00 0.00 C ATOM 1829 CG GLU A 110 1.730 -21.280 7.609 1.00 0.00 C ATOM 1830 CD GLU A 110 0.631 -20.237 7.537 1.00 0.00 C ATOM 1831 OE1 GLU A 110 0.173 -19.934 6.417 1.00 0.00 O ATOM 1832 OE2 GLU A 110 0.233 -19.723 8.603 1.00 0.00 O ATOM 0 H GLU A 110 5.238 -18.898 7.642 1.00 0.00 H new ATOM 0 HA GLU A 110 3.038 -19.923 9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.022 -19.933 6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.747 -21.486 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.521 -22.072 6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.726 -21.738 8.598 1.00 0.00 H new ATOM 1839 N HIS A 111 4.408 -22.307 9.358 1.00 0.00 N ATOM 1840 CA HIS A 111 5.294 -23.343 9.888 1.00 0.00 C ATOM 1841 C HIS A 111 4.610 -24.709 9.849 1.00 0.00 C ATOM 1842 O HIS A 111 5.210 -25.702 9.432 1.00 0.00 O ATOM 1843 CB HIS A 111 5.718 -23.010 11.321 1.00 0.00 C ATOM 1844 CG HIS A 111 7.194 -22.811 11.480 1.00 0.00 C ATOM 1845 ND1 HIS A 111 7.790 -21.568 11.488 1.00 0.00 N ATOM 1846 CD2 HIS A 111 8.197 -23.708 11.644 1.00 0.00 C ATOM 1847 CE1 HIS A 111 9.093 -21.707 11.656 1.00 0.00 C ATOM 1848 NE2 HIS A 111 9.366 -22.996 11.752 1.00 0.00 N ATOM 0 H HIS A 111 3.452 -22.621 9.191 1.00 0.00 H new ATOM 0 HA HIS A 111 6.184 -23.380 9.260 1.00 0.00 H new ATOM 0 HB2 HIS A 111 5.201 -22.106 11.643 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.395 -23.814 11.982 1.00 0.00 H new ATOM 0 HD2 HIS A 111 8.096 -24.783 11.683 1.00 0.00 H new ATOM 0 HE1 HIS A 111 9.813 -20.903 11.706 1.00 0.00 H new ATOM 0 HE2 HIS A 111 10.294 -23.397 11.885 1.00 0.00 H new ATOM 1857 N HIS A 112 3.349 -24.748 10.281 1.00 0.00 N ATOM 1858 CA HIS A 112 2.575 -25.985 10.292 1.00 0.00 C ATOM 1859 C HIS A 112 1.614 -26.034 9.104 1.00 0.00 C ATOM 1860 O HIS A 112 1.309 -25.004 8.499 1.00 0.00 O ATOM 1861 CB HIS A 112 1.794 -26.106 11.604 1.00 0.00 C ATOM 1862 CG HIS A 112 1.526 -27.521 12.019 1.00 0.00 C ATOM 1863 ND1 HIS A 112 0.407 -28.222 11.626 1.00 0.00 N ATOM 1864 CD2 HIS A 112 2.242 -28.365 12.799 1.00 0.00 C ATOM 1865 CE1 HIS A 112 0.444 -29.436 12.145 1.00 0.00 C ATOM 1866 NE2 HIS A 112 1.548 -29.548 12.861 1.00 0.00 N ATOM 0 H HIS A 112 2.843 -23.933 10.628 1.00 0.00 H new ATOM 0 HA HIS A 112 3.267 -26.823 10.210 1.00 0.00 H new ATOM 0 HB2 HIS A 112 2.351 -25.604 12.395 1.00 0.00 H new ATOM 0 HB3 HIS A 112 0.844 -25.581 11.501 1.00 0.00 H new ATOM 0 HD2 HIS A 112 3.183 -28.148 13.282 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -0.301 -30.206 12.007 1.00 0.00 H new ATOM 0 HE2 HIS A 112 1.838 -30.379 13.377 1.00 0.00 H new ATOM 1875 N HIS A 113 1.137 -27.236 8.773 1.00 0.00 N ATOM 1876 CA HIS A 113 0.208 -27.418 7.657 1.00 0.00 C ATOM 1877 C HIS A 113 -1.255 -27.349 8.119 1.00 0.00 C ATOM 1878 O HIS A 113 -2.139 -27.931 7.484 1.00 0.00 O ATOM 1879 CB HIS A 113 0.478 -28.759 6.967 1.00 0.00 C ATOM 1880 CG HIS A 113 0.437 -28.694 5.471 1.00 0.00 C ATOM 1881 ND1 HIS A 113 -0.723 -28.850 4.740 1.00 0.00 N ATOM 1882 CD2 HIS A 113 1.427 -28.500 4.564 1.00 0.00 C ATOM 1883 CE1 HIS A 113 -0.445 -28.760 3.451 1.00 0.00 C ATOM 1884 NE2 HIS A 113 0.850 -28.547 3.318 1.00 0.00 N ATOM 0 H HIS A 113 1.379 -28.098 9.262 1.00 0.00 H new ATOM 0 HA HIS A 113 0.371 -26.604 6.950 1.00 0.00 H new ATOM 0 HB2 HIS A 113 1.456 -29.125 7.278 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -0.258 -29.487 7.309 1.00 0.00 H new ATOM 0 HD2 HIS A 113 2.473 -28.339 4.781 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -1.157 -28.846 2.644 1.00 0.00 H new ATOM 0 HE2 HIS A 113 1.344 -28.435 2.432 1.00 0.00 H new ATOM 1893 N HIS A 114 -1.509 -26.636 9.222 1.00 0.00 N ATOM 1894 CA HIS A 114 -2.864 -26.500 9.755 1.00 0.00 C ATOM 1895 C HIS A 114 -3.088 -25.099 10.332 1.00 0.00 C ATOM 1896 O HIS A 114 -3.126 -24.919 11.552 1.00 0.00 O ATOM 1897 CB HIS A 114 -3.123 -27.555 10.839 1.00 0.00 C ATOM 1898 CG HIS A 114 -3.485 -28.906 10.304 1.00 0.00 C ATOM 1899 ND1 HIS A 114 -2.563 -29.776 9.760 1.00 0.00 N ATOM 1900 CD2 HIS A 114 -4.679 -29.544 10.246 1.00 0.00 C ATOM 1901 CE1 HIS A 114 -3.174 -30.887 9.391 1.00 0.00 C ATOM 1902 NE2 HIS A 114 -4.457 -30.771 9.675 1.00 0.00 N ATOM 0 H HIS A 114 -0.794 -26.146 9.760 1.00 0.00 H new ATOM 0 HA HIS A 114 -3.563 -26.654 8.933 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -2.232 -27.649 11.460 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -3.927 -27.205 11.486 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -5.629 -29.158 10.586 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -2.703 -31.745 8.934 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -5.169 -31.480 9.498 1.00 0.00 H new ATOM 1911 N HIS A 115 -3.238 -24.112 9.450 1.00 0.00 N ATOM 1912 CA HIS A 115 -3.460 -22.730 9.873 1.00 0.00 C ATOM 1913 C HIS A 115 -4.428 -22.016 8.929 1.00 0.00 C ATOM 1914 O HIS A 115 -4.315 -22.134 7.707 1.00 0.00 O ATOM 1915 CB HIS A 115 -2.130 -21.971 9.927 1.00 0.00 C ATOM 1916 CG HIS A 115 -2.088 -20.896 10.971 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -0.983 -20.101 11.187 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -3.023 -20.482 11.860 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -1.240 -19.247 12.162 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -2.472 -19.457 12.587 1.00 0.00 N ATOM 0 H HIS A 115 -3.210 -24.243 8.439 1.00 0.00 H new ATOM 0 HA HIS A 115 -3.902 -22.750 10.869 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.325 -22.681 10.117 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -1.937 -21.525 8.951 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -0.104 -20.162 10.674 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -4.019 -20.885 11.975 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.558 -18.503 12.546 1.00 0.00 H new ATOM 1929 N HIS A 116 -5.374 -21.276 9.505 1.00 0.00 N ATOM 1930 CA HIS A 116 -6.360 -20.534 8.720 1.00 0.00 C ATOM 1931 C HIS A 116 -6.640 -19.172 9.347 1.00 0.00 C ATOM 1932 O HIS A 116 -6.540 -18.157 8.626 1.00 0.00 O ATOM 1933 CB HIS A 116 -7.664 -21.331 8.600 1.00 0.00 C ATOM 1934 CG HIS A 116 -7.723 -22.202 7.385 1.00 0.00 C ATOM 1935 ND1 HIS A 116 -7.461 -23.556 7.414 1.00 0.00 N ATOM 1936 CD2 HIS A 116 -8.017 -21.907 6.096 1.00 0.00 C ATOM 1937 CE1 HIS A 116 -7.591 -24.055 6.198 1.00 0.00 C ATOM 1938 NE2 HIS A 116 -7.928 -23.075 5.381 1.00 0.00 N ATOM 1939 OXT HIS A 116 -6.955 -19.130 10.557 1.00 0.00 O ATOM 0 H HIS A 116 -5.479 -21.174 10.514 1.00 0.00 H new ATOM 0 HA HIS A 116 -5.947 -20.380 7.723 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -7.784 -21.952 9.488 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -8.504 -20.637 8.580 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -8.274 -20.934 5.704 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -7.446 -25.088 5.920 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -8.095 -23.170 4.379 1.00 0.00 H new TER 1948 HIS A 116