USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 1592 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 78 SER OG : rot -175:sc= -2.17! USER MOD Set 1.2: B 78 SER OG : rot -57:sc= -0.942 USER MOD Set 2.1: B 57 MET CE :methyl -106:sc= -3.25 (180deg=-7.88!) USER MOD Set 2.2: B 68 CYS SG : rot -103:sc= 0.999 USER MOD Set 3.1: A 81 THR OG1 : rot 104:sc= 0.272 USER MOD Set 3.2: B 7 MET CE :methyl 148:sc= -1.51 (180deg=-0.815) USER MOD Set 4.1: A 57 MET CE :methyl -111:sc= -3.31 (180deg=-7.73!) USER MOD Set 4.2: A 68 CYS SG : rot -105:sc= 1.16 USER MOD Set 5.1: A 7 MET CE :methyl 148:sc= -1.76 (180deg=-1.08) USER MOD Set 5.2: B 81 THR OG1 : rot 64:sc= -0.0493 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 1 SER OG : rot -31:sc= 1.1 USER MOD Single : A 5 LYS NZ :NH3+ 140:sc= -0.528 (180deg=-1.29) USER MOD Single : A 15 HIS : no HD1:sc=-0.00217 X(o=-0.0022,f=-0.11) USER MOD Single : A 16 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.62) USER MOD Single : A 17 TYR OH : rot -34:sc= 1.03 USER MOD Single : A 18 SER OG : rot -150:sc= -0.0606 USER MOD Single : A 24 LYS NZ :NH3+ 137:sc= -1.63 (180deg=-3.98!) USER MOD Single : A 25 HIS : no HD1:sc= -0.0987 X(o=-0.099,f=-0.38) USER MOD Single : A 26 LYS NZ :NH3+ 140:sc= 0.196 (180deg=-1.99!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -141:sc= -0.378 (180deg=-1.2) USER MOD Single : A 37 ASN :FLIP amide:sc= -3.66! F(o=-5.7,f=-3.7!) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.217 F(o=-3.7!,f=-0.22) USER MOD Single : A 41 SER OG : rot -28:sc= 1.27 USER MOD Single : A 42 HIS : no HD1:sc= -0.131 K(o=-0.13,f=-0.91) USER MOD Single : A 48 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.0624) USER MOD Single : A 50 GLN :FLIP amide:sc= -1.6 F(o=-2.4,f=-1.6) USER MOD Single : A 55 LYS NZ :NH3+ 132:sc= -0.032 (180deg=-0.477) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 74 MET CE :methyl -120:sc= -2.66 (180deg=-9.71!) USER MOD Single : A 79 MET CE :methyl 156:sc= -0.0532 (180deg=-1.25) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 84 CYS SG : rot 180:sc= -0.0131 USER MOD Single : A 85 HIS : no HD1:sc= -0.664 K(o=-0.66,f=-1.6!) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER OG : rot -44:sc= 1.07 USER MOD Single : B 5 LYS NZ :NH3+ 157:sc= -0.482 (180deg=-1.12) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : B 16 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.56) USER MOD Single : B 17 TYR OH : rot -18:sc= 1 USER MOD Single : B 18 SER OG : rot -153:sc= -0.012 USER MOD Single : B 24 LYS NZ :NH3+ 138:sc= -1.86 (180deg=-4.42!) USER MOD Single : B 25 HIS : no HD1:sc= -0.0971 X(o=-0.097,f=-0.3) USER MOD Single : B 26 LYS NZ :NH3+ 147:sc= 0.0101 (180deg=-1.79!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -138:sc= -0.378 (180deg=-1.16) USER MOD Single : B 37 ASN :FLIP amide:sc= -3.77! F(o=-5.6,f=-3.8!) USER MOD Single : B 38 ASN :FLIP amide:sc= -0.247 F(o=-3.7!,f=-0.25) USER MOD Single : B 41 SER OG : rot -35:sc= 1.31 USER MOD Single : B 42 HIS : no HD1:sc= -0.177 K(o=-0.18,f=-0.79) USER MOD Single : B 48 LYS NZ :NH3+ 177:sc=-0.00415 (180deg=-0.0199) USER MOD Single : B 50 GLN :FLIP amide:sc= -1.47 F(o=-2.1,f=-1.5) USER MOD Single : B 55 LYS NZ :NH3+ 160:sc= -0.0385 (180deg=-0.426) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc=-0.000508 X(o=-0.00051,f=-0.25) USER MOD Single : B 74 MET CE :methyl -124:sc= -3 (180deg=-10.1!) USER MOD Single : B 79 MET CE :methyl 156:sc= -0.0669 (180deg=-1.25) USER MOD Single : B 82 THR OG1 : rot 180:sc=-0.00255 USER MOD Single : B 84 CYS SG : rot 180:sc= -0.0298 USER MOD Single : B 85 HIS : no HD1:sc= -0.626 K(o=-0.63,f=-1.6!) USER MOD Single : X 105 HIS : no HD1:sc= -5.57! C(o=-5.6!,f=-9.2!) USER MOD Single : X 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 109 MET CE :methyl -179:sc= 0 (180deg=-5.13e-06) USER MOD Single : X 111 LYS NZ :NH3+ 137:sc= -0.393! (180deg=-2.38!) USER MOD Single : X 112 THR OG1 : rot -21:sc= 0.136 USER MOD Single : Y 105 HIS : no HD1:sc= -5.47! C(o=-5.5!,f=-8.7!) USER MOD Single : Y 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 109 MET CE :methyl -176:sc= 0 (180deg=-0.0157) USER MOD Single : Y 111 LYS NZ :NH3+ 136:sc= -0.592! (180deg=-2.54!) USER MOD Single : Y 112 THR OG1 : rot -17:sc= 0.0955 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 1.190 -2.569 -12.100 1.00 0.00 N ATOM 2 CA MET A 0 0.579 -2.703 -13.451 1.00 0.00 C ATOM 3 C MET A 0 -0.754 -1.955 -13.482 1.00 0.00 C ATOM 4 O MET A 0 -1.659 -2.246 -12.725 1.00 0.00 O ATOM 5 CB MET A 0 0.345 -4.184 -13.762 1.00 0.00 C ATOM 6 CG MET A 0 -0.069 -4.346 -15.226 1.00 0.00 C ATOM 7 SD MET A 0 -0.240 -6.107 -15.610 1.00 0.00 S ATOM 8 CE MET A 0 -0.871 -5.920 -17.296 1.00 0.00 C ATOM 0 H1 MET A 0 2.097 -3.077 -12.077 1.00 0.00 H new ATOM 0 H2 MET A 0 1.351 -1.563 -11.890 1.00 0.00 H new ATOM 0 H3 MET A 0 0.549 -2.973 -11.387 1.00 0.00 H new ATOM 0 HA MET A 0 1.250 -2.279 -14.198 1.00 0.00 H new ATOM 0 HB2 MET A 0 1.253 -4.754 -13.566 1.00 0.00 H new ATOM 0 HB3 MET A 0 -0.430 -4.584 -13.109 1.00 0.00 H new ATOM 0 HG2 MET A 0 -1.011 -3.829 -15.408 1.00 0.00 H new ATOM 0 HG3 MET A 0 0.676 -3.891 -15.879 1.00 0.00 H new ATOM 0 HE1 MET A 0 -1.049 -6.904 -17.729 1.00 0.00 H new ATOM 0 HE2 MET A 0 -1.805 -5.359 -17.275 1.00 0.00 H new ATOM 0 HE3 MET A 0 -0.140 -5.384 -17.901 1.00 0.00 H new ATOM 20 N SER A 1 -0.882 -0.993 -14.351 1.00 0.00 N ATOM 21 CA SER A 1 -2.159 -0.225 -14.427 1.00 0.00 C ATOM 22 C SER A 1 -2.550 0.262 -13.031 1.00 0.00 C ATOM 23 O SER A 1 -3.661 0.697 -12.803 1.00 0.00 O ATOM 24 CB SER A 1 -3.264 -1.131 -14.974 1.00 0.00 C ATOM 25 OG SER A 1 -4.482 -0.400 -15.047 1.00 0.00 O ATOM 0 H SER A 1 -0.160 -0.704 -15.012 1.00 0.00 H new ATOM 0 HA SER A 1 -2.026 0.633 -15.086 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.990 -1.502 -15.962 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.388 -2.002 -14.330 1.00 0.00 H new ATOM 0 HG SER A 1 -4.506 0.268 -14.330 1.00 0.00 H new ATOM 31 N GLU A 2 -1.638 0.217 -12.098 1.00 0.00 N ATOM 32 CA GLU A 2 -1.953 0.703 -10.726 1.00 0.00 C ATOM 33 C GLU A 2 -1.955 2.217 -10.731 1.00 0.00 C ATOM 34 O GLU A 2 -1.854 2.858 -9.707 1.00 0.00 O ATOM 35 CB GLU A 2 -0.915 0.186 -9.739 1.00 0.00 C ATOM 36 CG GLU A 2 -1.155 -1.300 -9.553 1.00 0.00 C ATOM 37 CD GLU A 2 -0.137 -1.874 -8.567 1.00 0.00 C ATOM 38 OE1 GLU A 2 0.792 -1.163 -8.224 1.00 0.00 O ATOM 39 OE2 GLU A 2 -0.308 -3.014 -8.168 1.00 0.00 O ATOM 0 H GLU A 2 -0.689 -0.135 -12.227 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.933 0.336 -10.422 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.092 0.367 -10.114 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.999 0.709 -8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.167 -1.470 -9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.074 -1.813 -10.512 1.00 0.00 H new ATOM 46 N LEU A 3 -2.047 2.787 -11.887 1.00 0.00 N ATOM 47 CA LEU A 3 -2.036 4.263 -11.997 1.00 0.00 C ATOM 48 C LEU A 3 -3.285 4.839 -11.327 1.00 0.00 C ATOM 49 O LEU A 3 -3.273 5.943 -10.835 1.00 0.00 O ATOM 50 CB LEU A 3 -1.999 4.652 -13.493 1.00 0.00 C ATOM 51 CG LEU A 3 -1.143 5.905 -13.706 1.00 0.00 C ATOM 52 CD1 LEU A 3 -1.170 6.288 -15.189 1.00 0.00 C ATOM 53 CD2 LEU A 3 -1.697 7.059 -12.867 1.00 0.00 C ATOM 0 H LEU A 3 -2.131 2.289 -12.773 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.157 4.669 -11.497 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.596 3.826 -14.079 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.012 4.832 -13.852 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.117 5.701 -13.399 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.562 7.179 -15.346 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.770 5.467 -15.784 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.197 6.491 -15.494 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.085 7.948 -13.022 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.723 7.268 -13.169 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.678 6.784 -11.812 1.00 0.00 H new ATOM 65 N GLU A 4 -4.363 4.110 -11.313 1.00 0.00 N ATOM 66 CA GLU A 4 -5.603 4.650 -10.675 1.00 0.00 C ATOM 67 C GLU A 4 -5.449 4.659 -9.154 1.00 0.00 C ATOM 68 O GLU A 4 -5.934 5.543 -8.477 1.00 0.00 O ATOM 69 CB GLU A 4 -6.818 3.803 -11.077 1.00 0.00 C ATOM 70 CG GLU A 4 -8.091 4.386 -10.449 1.00 0.00 C ATOM 71 CD GLU A 4 -9.300 3.549 -10.876 1.00 0.00 C ATOM 72 OE1 GLU A 4 -9.115 2.638 -11.665 1.00 0.00 O ATOM 73 OE2 GLU A 4 -10.390 3.837 -10.410 1.00 0.00 O ATOM 0 H GLU A 4 -4.444 3.174 -11.709 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.759 5.672 -11.020 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.914 3.782 -12.163 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.679 2.773 -10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.004 4.391 -9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.223 5.421 -10.763 1.00 0.00 H new ATOM 80 N LYS A 5 -4.794 3.674 -8.609 1.00 0.00 N ATOM 81 CA LYS A 5 -4.633 3.627 -7.122 1.00 0.00 C ATOM 82 C LYS A 5 -3.634 4.703 -6.705 1.00 0.00 C ATOM 83 O LYS A 5 -3.722 5.273 -5.640 1.00 0.00 O ATOM 84 CB LYS A 5 -4.132 2.228 -6.648 1.00 0.00 C ATOM 85 CG LYS A 5 -4.135 1.217 -7.796 1.00 0.00 C ATOM 86 CD LYS A 5 -5.576 0.941 -8.278 1.00 0.00 C ATOM 87 CE LYS A 5 -5.549 0.513 -9.747 1.00 0.00 C ATOM 88 NZ LYS A 5 -6.945 0.364 -10.253 1.00 0.00 N ATOM 0 H LYS A 5 -4.364 2.903 -9.120 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.602 3.806 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.124 2.319 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.768 1.866 -5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.536 1.597 -8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.671 0.286 -7.469 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.031 0.160 -7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.188 1.835 -8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.013 1.253 -10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.011 -0.429 -9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.005 0.738 -11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.209 -0.642 -10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.596 0.892 -9.637 1.00 0.00 H new ATOM 102 N ALA A 6 -2.668 4.945 -7.533 1.00 0.00 N ATOM 103 CA ALA A 6 -1.626 5.947 -7.208 1.00 0.00 C ATOM 104 C ALA A 6 -2.192 7.367 -7.242 1.00 0.00 C ATOM 105 O ALA A 6 -1.908 8.170 -6.380 1.00 0.00 O ATOM 106 CB ALA A 6 -0.501 5.806 -8.227 1.00 0.00 C ATOM 0 H ALA A 6 -2.553 4.484 -8.436 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.254 5.770 -6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.280 6.534 -8.009 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.085 4.800 -8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.893 5.983 -9.229 1.00 0.00 H new ATOM 112 N MET A 7 -2.985 7.690 -8.220 1.00 0.00 N ATOM 113 CA MET A 7 -3.554 9.065 -8.283 1.00 0.00 C ATOM 114 C MET A 7 -4.438 9.308 -7.067 1.00 0.00 C ATOM 115 O MET A 7 -4.453 10.376 -6.482 1.00 0.00 O ATOM 116 CB MET A 7 -4.396 9.220 -9.555 1.00 0.00 C ATOM 117 CG MET A 7 -3.486 9.232 -10.780 1.00 0.00 C ATOM 118 SD MET A 7 -4.455 9.682 -12.243 1.00 0.00 S ATOM 119 CE MET A 7 -3.144 10.543 -13.146 1.00 0.00 C ATOM 0 H MET A 7 -3.265 7.066 -8.977 1.00 0.00 H new ATOM 0 HA MET A 7 -2.738 9.788 -8.295 1.00 0.00 H new ATOM 0 HB2 MET A 7 -5.111 8.401 -9.630 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.973 10.144 -9.510 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.673 9.943 -10.636 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.031 8.251 -10.919 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.293 10.411 -14.218 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.173 11.605 -12.904 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.175 10.132 -12.861 1.00 0.00 H new ATOM 129 N VAL A 8 -5.179 8.317 -6.695 1.00 0.00 N ATOM 130 CA VAL A 8 -6.090 8.446 -5.530 1.00 0.00 C ATOM 131 C VAL A 8 -5.271 8.621 -4.252 1.00 0.00 C ATOM 132 O VAL A 8 -5.647 9.344 -3.356 1.00 0.00 O ATOM 133 CB VAL A 8 -6.951 7.185 -5.435 1.00 0.00 C ATOM 134 CG1 VAL A 8 -7.743 7.189 -4.125 1.00 0.00 C ATOM 135 CG2 VAL A 8 -7.921 7.147 -6.617 1.00 0.00 C ATOM 0 H VAL A 8 -5.196 7.406 -7.153 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.732 9.318 -5.654 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.306 6.307 -5.458 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.353 6.288 -4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.052 7.215 -3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.388 8.067 -4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.537 6.250 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.561 8.029 -6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.357 7.135 -7.550 1.00 0.00 H new ATOM 145 N ALA A 9 -4.171 7.932 -4.158 1.00 0.00 N ATOM 146 CA ALA A 9 -3.321 8.011 -2.933 1.00 0.00 C ATOM 147 C ALA A 9 -2.690 9.396 -2.772 1.00 0.00 C ATOM 148 O ALA A 9 -2.588 9.907 -1.675 1.00 0.00 O ATOM 149 CB ALA A 9 -2.212 6.970 -3.017 1.00 0.00 C ATOM 0 H ALA A 9 -3.818 7.309 -4.884 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.960 7.822 -2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.591 7.027 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.652 5.975 -3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.599 7.162 -3.898 1.00 0.00 H new ATOM 155 N LEU A 10 -2.248 10.011 -3.834 1.00 0.00 N ATOM 156 CA LEU A 10 -1.612 11.353 -3.675 1.00 0.00 C ATOM 157 C LEU A 10 -2.634 12.292 -3.059 1.00 0.00 C ATOM 158 O LEU A 10 -2.329 13.100 -2.203 1.00 0.00 O ATOM 159 CB LEU A 10 -1.187 11.914 -5.037 1.00 0.00 C ATOM 160 CG LEU A 10 -0.135 11.013 -5.693 1.00 0.00 C ATOM 161 CD1 LEU A 10 0.275 11.634 -7.032 1.00 0.00 C ATOM 162 CD2 LEU A 10 1.097 10.883 -4.779 1.00 0.00 C ATOM 0 H LEU A 10 -2.297 9.653 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.729 11.261 -3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.057 11.998 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.784 12.919 -4.912 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.552 10.019 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.024 11.004 -7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.599 11.715 -7.678 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.692 12.626 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.837 10.241 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.529 11.869 -4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.798 10.447 -3.826 1.00 0.00 H new ATOM 174 N ILE A 11 -3.848 12.180 -3.490 1.00 0.00 N ATOM 175 CA ILE A 11 -4.922 13.042 -2.947 1.00 0.00 C ATOM 176 C ILE A 11 -5.201 12.687 -1.478 1.00 0.00 C ATOM 177 O ILE A 11 -5.490 13.549 -0.674 1.00 0.00 O ATOM 178 CB ILE A 11 -6.180 12.859 -3.808 1.00 0.00 C ATOM 179 CG1 ILE A 11 -5.940 13.520 -5.177 1.00 0.00 C ATOM 180 CG2 ILE A 11 -7.386 13.501 -3.114 1.00 0.00 C ATOM 181 CD1 ILE A 11 -6.989 13.053 -6.195 1.00 0.00 C ATOM 0 H ILE A 11 -4.148 11.519 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.613 14.087 -2.979 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.387 11.797 -3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.982 14.604 -5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.941 13.272 -5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.275 13.367 -3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.542 13.028 -2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.200 14.566 -2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.802 13.532 -7.156 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.927 11.971 -6.311 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.984 13.324 -5.842 1.00 0.00 H new ATOM 193 N ASP A 12 -5.150 11.430 -1.127 1.00 0.00 N ATOM 194 CA ASP A 12 -5.448 11.030 0.284 1.00 0.00 C ATOM 195 C ASP A 12 -4.478 11.692 1.278 1.00 0.00 C ATOM 196 O ASP A 12 -4.885 12.212 2.296 1.00 0.00 O ATOM 197 CB ASP A 12 -5.323 9.509 0.405 1.00 0.00 C ATOM 198 CG ASP A 12 -5.680 9.071 1.829 1.00 0.00 C ATOM 199 OD1 ASP A 12 -5.816 9.934 2.680 1.00 0.00 O ATOM 200 OD2 ASP A 12 -5.809 7.876 2.042 1.00 0.00 O ATOM 0 H ASP A 12 -4.915 10.661 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.459 11.358 0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.985 9.022 -0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.307 9.198 0.163 1.00 0.00 H new ATOM 205 N VAL A 13 -3.201 11.646 1.013 1.00 0.00 N ATOM 206 CA VAL A 13 -2.211 12.242 1.970 1.00 0.00 C ATOM 207 C VAL A 13 -2.313 13.780 1.964 1.00 0.00 C ATOM 208 O VAL A 13 -2.227 14.428 2.997 1.00 0.00 O ATOM 209 CB VAL A 13 -0.784 11.744 1.581 1.00 0.00 C ATOM 210 CG1 VAL A 13 0.157 12.906 1.218 1.00 0.00 C ATOM 211 CG2 VAL A 13 -0.161 10.953 2.744 1.00 0.00 C ATOM 0 H VAL A 13 -2.796 11.223 0.178 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.426 11.920 2.989 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.900 11.106 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.138 12.511 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.253 13.455 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.253 13.576 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.834 10.611 2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.087 11.595 3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.788 10.092 2.975 1.00 0.00 H new ATOM 221 N PHE A 14 -2.490 14.365 0.815 1.00 0.00 N ATOM 222 CA PHE A 14 -2.584 15.848 0.749 1.00 0.00 C ATOM 223 C PHE A 14 -3.737 16.308 1.626 1.00 0.00 C ATOM 224 O PHE A 14 -3.671 17.335 2.255 1.00 0.00 O ATOM 225 CB PHE A 14 -2.821 16.291 -0.698 1.00 0.00 C ATOM 226 CG PHE A 14 -3.042 17.787 -0.743 1.00 0.00 C ATOM 227 CD1 PHE A 14 -1.950 18.658 -0.834 1.00 0.00 C ATOM 228 CD2 PHE A 14 -4.344 18.302 -0.703 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.159 20.042 -0.883 1.00 0.00 C ATOM 230 CE2 PHE A 14 -4.553 19.686 -0.751 1.00 0.00 C ATOM 231 CZ PHE A 14 -3.461 20.556 -0.841 1.00 0.00 C ATOM 0 H PHE A 14 -2.574 13.882 -0.080 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.653 16.292 1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.965 16.021 -1.316 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.687 15.773 -1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.946 18.262 -0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.188 17.631 -0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.316 20.713 -0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.557 20.082 -0.719 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.622 21.623 -0.878 1.00 0.00 H new ATOM 241 N HIS A 15 -4.794 15.560 1.662 1.00 0.00 N ATOM 242 CA HIS A 15 -5.960 15.952 2.498 1.00 0.00 C ATOM 243 C HIS A 15 -5.622 15.820 3.988 1.00 0.00 C ATOM 244 O HIS A 15 -6.196 16.494 4.818 1.00 0.00 O ATOM 245 CB HIS A 15 -7.137 15.039 2.160 1.00 0.00 C ATOM 246 CG HIS A 15 -8.387 15.530 2.842 1.00 0.00 C ATOM 247 ND1 HIS A 15 -8.863 16.825 2.680 1.00 0.00 N ATOM 248 CD2 HIS A 15 -9.281 14.904 3.676 1.00 0.00 C ATOM 249 CE1 HIS A 15 -9.996 16.934 3.400 1.00 0.00 C ATOM 250 NE2 HIS A 15 -10.292 15.792 4.023 1.00 0.00 N ATOM 0 H HIS A 15 -4.905 14.687 1.146 1.00 0.00 H new ATOM 0 HA HIS A 15 -6.216 16.991 2.292 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -7.289 15.013 1.081 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.918 14.019 2.476 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.209 13.880 4.010 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.591 17.833 3.465 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -11.093 15.609 4.628 1.00 0.00 H new ATOM 259 N GLN A 16 -4.715 14.949 4.348 1.00 0.00 N ATOM 260 CA GLN A 16 -4.387 14.790 5.792 1.00 0.00 C ATOM 261 C GLN A 16 -3.864 16.114 6.368 1.00 0.00 C ATOM 262 O GLN A 16 -4.209 16.491 7.470 1.00 0.00 O ATOM 263 CB GLN A 16 -3.317 13.707 5.946 1.00 0.00 C ATOM 264 CG GLN A 16 -3.919 12.346 5.589 1.00 0.00 C ATOM 265 CD GLN A 16 -4.918 11.927 6.668 1.00 0.00 C ATOM 266 OE1 GLN A 16 -4.629 12.013 7.845 1.00 0.00 O ATOM 267 NE2 GLN A 16 -6.090 11.471 6.317 1.00 0.00 N ATOM 0 H GLN A 16 -4.193 14.348 3.710 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.288 14.503 6.335 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.468 13.923 5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.941 13.694 6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.416 12.400 4.620 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.129 11.600 5.501 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.334 11.398 5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.762 11.188 7.030 1.00 0.00 H new ATOM 276 N TYR A 17 -3.020 16.820 5.652 1.00 0.00 N ATOM 277 CA TYR A 17 -2.472 18.111 6.202 1.00 0.00 C ATOM 278 C TYR A 17 -3.308 19.324 5.770 1.00 0.00 C ATOM 279 O TYR A 17 -3.490 20.260 6.524 1.00 0.00 O ATOM 280 CB TYR A 17 -1.034 18.282 5.712 1.00 0.00 C ATOM 281 CG TYR A 17 -0.164 17.301 6.449 1.00 0.00 C ATOM 282 CD1 TYR A 17 -0.135 15.965 6.046 1.00 0.00 C ATOM 283 CD2 TYR A 17 0.582 17.720 7.554 1.00 0.00 C ATOM 284 CE1 TYR A 17 0.645 15.044 6.743 1.00 0.00 C ATOM 285 CE2 TYR A 17 1.360 16.798 8.258 1.00 0.00 C ATOM 286 CZ TYR A 17 1.393 15.457 7.853 1.00 0.00 C ATOM 287 OH TYR A 17 2.159 14.545 8.548 1.00 0.00 O ATOM 0 H TYR A 17 -2.688 16.566 4.722 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.508 18.060 7.290 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.976 18.108 4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.691 19.301 5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.717 15.645 5.194 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.557 18.755 7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.673 14.012 6.427 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.936 17.118 9.114 1.00 0.00 H new ATOM 0 HH TYR A 17 1.713 13.672 8.544 1.00 0.00 H new ATOM 297 N SER A 18 -3.793 19.332 4.565 1.00 0.00 N ATOM 298 CA SER A 18 -4.591 20.499 4.082 1.00 0.00 C ATOM 299 C SER A 18 -5.828 20.696 4.960 1.00 0.00 C ATOM 300 O SER A 18 -6.208 21.807 5.271 1.00 0.00 O ATOM 301 CB SER A 18 -5.031 20.250 2.638 1.00 0.00 C ATOM 302 OG SER A 18 -3.894 20.286 1.786 1.00 0.00 O ATOM 0 H SER A 18 -3.674 18.580 3.887 1.00 0.00 H new ATOM 0 HA SER A 18 -3.973 21.395 4.133 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.528 19.283 2.559 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.754 21.006 2.331 1.00 0.00 H new ATOM 0 HG SER A 18 -4.161 20.602 0.898 1.00 0.00 H new ATOM 308 N GLY A 19 -6.465 19.632 5.354 1.00 0.00 N ATOM 309 CA GLY A 19 -7.685 19.766 6.202 1.00 0.00 C ATOM 310 C GLY A 19 -7.290 20.031 7.657 1.00 0.00 C ATOM 311 O GLY A 19 -8.126 20.318 8.490 1.00 0.00 O ATOM 0 H GLY A 19 -6.196 18.675 5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.306 20.581 5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.282 18.856 6.139 1.00 0.00 H new ATOM 315 N ARG A 20 -6.027 19.941 7.976 1.00 0.00 N ATOM 316 CA ARG A 20 -5.604 20.195 9.384 1.00 0.00 C ATOM 317 C ARG A 20 -5.995 21.619 9.773 1.00 0.00 C ATOM 318 O ARG A 20 -6.549 21.856 10.828 1.00 0.00 O ATOM 319 CB ARG A 20 -4.085 20.049 9.497 1.00 0.00 C ATOM 320 CG ARG A 20 -3.651 20.279 10.948 1.00 0.00 C ATOM 321 CD ARG A 20 -2.137 20.130 11.051 1.00 0.00 C ATOM 322 NE ARG A 20 -1.719 20.244 12.477 1.00 0.00 N ATOM 323 CZ ARG A 20 -0.545 19.816 12.850 1.00 0.00 C ATOM 324 NH1 ARG A 20 0.254 19.259 11.982 1.00 0.00 N ATOM 325 NH2 ARG A 20 -0.174 19.936 14.095 1.00 0.00 N ATOM 0 H ARG A 20 -5.275 19.705 7.329 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.091 19.478 10.045 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.780 19.055 9.169 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.591 20.766 8.841 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.953 21.273 11.277 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.144 19.562 11.605 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.828 19.166 10.647 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.645 20.898 10.455 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.352 20.657 13.162 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.039 19.158 11.010 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.172 18.925 12.275 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.802 20.364 14.775 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.744 19.602 14.388 1.00 0.00 H new ATOM 339 N GLU A 21 -5.698 22.566 8.922 1.00 0.00 N ATOM 340 CA GLU A 21 -6.031 23.995 9.211 1.00 0.00 C ATOM 341 C GLU A 21 -7.064 24.482 8.194 1.00 0.00 C ATOM 342 O GLU A 21 -7.238 23.900 7.142 1.00 0.00 O ATOM 343 CB GLU A 21 -4.757 24.837 9.102 1.00 0.00 C ATOM 344 CG GLU A 21 -3.769 24.401 10.187 1.00 0.00 C ATOM 345 CD GLU A 21 -2.479 25.213 10.063 1.00 0.00 C ATOM 346 OE1 GLU A 21 -2.391 26.011 9.145 1.00 0.00 O ATOM 347 OE2 GLU A 21 -1.599 25.019 10.886 1.00 0.00 O ATOM 0 H GLU A 21 -5.233 22.409 8.028 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.441 24.089 10.216 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.309 24.714 8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.995 25.895 9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.209 24.547 11.173 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.552 23.337 10.089 1.00 0.00 H new ATOM 354 N GLY A 22 -7.762 25.534 8.515 1.00 0.00 N ATOM 355 CA GLY A 22 -8.807 26.062 7.592 1.00 0.00 C ATOM 356 C GLY A 22 -8.297 26.098 6.148 1.00 0.00 C ATOM 357 O GLY A 22 -9.070 26.244 5.221 1.00 0.00 O ATOM 0 H GLY A 22 -7.653 26.056 9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.698 25.438 7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.099 27.065 7.903 1.00 0.00 H new ATOM 361 N ASP A 23 -7.016 25.980 5.935 1.00 0.00 N ATOM 362 CA ASP A 23 -6.503 26.027 4.541 1.00 0.00 C ATOM 363 C ASP A 23 -6.827 24.710 3.823 1.00 0.00 C ATOM 364 O ASP A 23 -5.952 24.020 3.343 1.00 0.00 O ATOM 365 CB ASP A 23 -4.988 26.244 4.580 1.00 0.00 C ATOM 366 CG ASP A 23 -4.632 27.147 5.763 1.00 0.00 C ATOM 367 OD1 ASP A 23 -5.155 28.248 5.821 1.00 0.00 O ATOM 368 OD2 ASP A 23 -3.844 26.721 6.591 1.00 0.00 O ATOM 0 H ASP A 23 -6.309 25.854 6.660 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.977 26.845 3.999 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.475 25.287 4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.651 26.698 3.648 1.00 0.00 H new ATOM 373 N LYS A 24 -8.077 24.355 3.747 1.00 0.00 N ATOM 374 CA LYS A 24 -8.449 23.088 3.054 1.00 0.00 C ATOM 375 C LYS A 24 -8.187 23.231 1.552 1.00 0.00 C ATOM 376 O LYS A 24 -7.643 22.352 0.914 1.00 0.00 O ATOM 377 CB LYS A 24 -9.940 22.830 3.263 1.00 0.00 C ATOM 378 CG LYS A 24 -10.311 21.427 2.758 1.00 0.00 C ATOM 379 CD LYS A 24 -11.824 21.347 2.512 1.00 0.00 C ATOM 380 CE LYS A 24 -12.591 21.859 3.741 1.00 0.00 C ATOM 381 NZ LYS A 24 -12.734 23.341 3.664 1.00 0.00 N ATOM 0 H LYS A 24 -8.858 24.885 4.134 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.859 22.265 3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.188 22.921 4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.525 23.582 2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.771 21.207 1.837 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.012 20.676 3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.089 21.940 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.111 20.317 2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.574 21.391 3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.062 21.582 4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.700 23.611 3.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.052 23.790 4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.550 23.657 2.691 1.00 0.00 H new ATOM 395 N HIS A 25 -8.604 24.329 0.984 1.00 0.00 N ATOM 396 CA HIS A 25 -8.423 24.541 -0.484 1.00 0.00 C ATOM 397 C HIS A 25 -6.989 24.980 -0.815 1.00 0.00 C ATOM 398 O HIS A 25 -6.554 24.864 -1.944 1.00 0.00 O ATOM 399 CB HIS A 25 -9.405 25.612 -0.963 1.00 0.00 C ATOM 400 CG HIS A 25 -9.271 25.783 -2.451 1.00 0.00 C ATOM 401 ND1 HIS A 25 -8.526 26.809 -3.017 1.00 0.00 N ATOM 402 CD2 HIS A 25 -9.776 25.061 -3.504 1.00 0.00 C ATOM 403 CE1 HIS A 25 -8.603 26.676 -4.354 1.00 0.00 C ATOM 404 NE2 HIS A 25 -9.353 25.628 -4.700 1.00 0.00 N ATOM 0 H HIS A 25 -9.066 25.095 1.475 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.614 23.596 -0.992 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -10.425 25.325 -0.709 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -9.205 26.557 -0.458 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.405 24.187 -3.416 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -8.118 27.335 -5.059 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -9.570 25.310 -5.644 1.00 0.00 H new ATOM 413 N LYS A 26 -6.253 25.493 0.143 1.00 0.00 N ATOM 414 CA LYS A 26 -4.846 25.947 -0.138 1.00 0.00 C ATOM 415 C LYS A 26 -3.921 25.441 0.971 1.00 0.00 C ATOM 416 O LYS A 26 -4.356 25.097 2.046 1.00 0.00 O ATOM 417 CB LYS A 26 -4.810 27.481 -0.206 1.00 0.00 C ATOM 418 CG LYS A 26 -5.032 28.074 1.185 1.00 0.00 C ATOM 419 CD LYS A 26 -5.279 29.580 1.070 1.00 0.00 C ATOM 420 CE LYS A 26 -5.325 30.199 2.468 1.00 0.00 C ATOM 421 NZ LYS A 26 -3.976 30.119 3.095 1.00 0.00 N ATOM 0 H LYS A 26 -6.562 25.618 1.107 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.508 25.544 -1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.850 27.813 -0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.579 27.841 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.884 27.592 1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.162 27.885 1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.488 30.045 0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.217 29.766 0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.647 31.238 2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.055 29.675 3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.781 30.999 3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.947 29.315 3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.257 29.986 2.356 1.00 0.00 H new ATOM 435 N LEU A 27 -2.645 25.371 0.700 1.00 0.00 N ATOM 436 CA LEU A 27 -1.661 24.864 1.712 1.00 0.00 C ATOM 437 C LEU A 27 -0.640 25.970 2.004 1.00 0.00 C ATOM 438 O LEU A 27 -0.100 26.563 1.097 1.00 0.00 O ATOM 439 CB LEU A 27 -0.951 23.646 1.105 1.00 0.00 C ATOM 440 CG LEU A 27 -0.099 22.918 2.159 1.00 0.00 C ATOM 441 CD1 LEU A 27 -0.985 22.056 3.071 1.00 0.00 C ATOM 442 CD2 LEU A 27 0.910 22.013 1.447 1.00 0.00 C ATOM 0 H LEU A 27 -2.233 25.647 -0.191 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.159 24.584 2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.690 22.959 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.317 23.966 0.278 1.00 0.00 H new ATOM 0 HG LEU A 27 0.417 23.661 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.363 21.550 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.709 22.691 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.512 21.314 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.518 21.493 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.377 21.283 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.554 22.618 0.808 1.00 0.00 H new ATOM 454 N LYS A 28 -0.374 26.272 3.256 1.00 0.00 N ATOM 455 CA LYS A 28 0.611 27.355 3.565 1.00 0.00 C ATOM 456 C LYS A 28 1.999 26.754 3.781 1.00 0.00 C ATOM 457 O LYS A 28 2.138 25.617 4.185 1.00 0.00 O ATOM 458 CB LYS A 28 0.193 28.085 4.844 1.00 0.00 C ATOM 459 CG LYS A 28 -1.162 28.763 4.637 1.00 0.00 C ATOM 460 CD LYS A 28 -1.389 29.816 5.728 1.00 0.00 C ATOM 461 CE LYS A 28 -1.482 29.135 7.095 1.00 0.00 C ATOM 462 NZ LYS A 28 -2.067 30.086 8.083 1.00 0.00 N ATOM 0 H LYS A 28 -0.793 25.819 4.068 1.00 0.00 H new ATOM 0 HA LYS A 28 0.636 28.052 2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.134 27.380 5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.944 28.828 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.198 29.232 3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.959 28.020 4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.572 30.537 5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.305 30.371 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.099 28.239 7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.493 28.816 7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.131 29.625 9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.461 30.928 8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.018 30.369 7.771 1.00 0.00 H new ATOM 476 N LYS A 29 3.032 27.520 3.535 1.00 0.00 N ATOM 477 CA LYS A 29 4.412 27.007 3.749 1.00 0.00 C ATOM 478 C LYS A 29 4.472 26.397 5.143 1.00 0.00 C ATOM 479 O LYS A 29 5.306 25.569 5.451 1.00 0.00 O ATOM 480 CB LYS A 29 5.413 28.171 3.660 1.00 0.00 C ATOM 481 CG LYS A 29 5.269 29.105 4.871 1.00 0.00 C ATOM 482 CD LYS A 29 6.092 30.375 4.636 1.00 0.00 C ATOM 483 CE LYS A 29 6.168 31.184 5.932 1.00 0.00 C ATOM 484 NZ LYS A 29 6.840 32.487 5.664 1.00 0.00 N ATOM 0 H LYS A 29 2.975 28.480 3.195 1.00 0.00 H new ATOM 0 HA LYS A 29 4.663 26.264 2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.430 27.780 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.246 28.732 2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.221 29.361 5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.609 28.601 5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.095 30.113 4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.637 30.974 3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.166 31.353 6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.719 30.627 6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.892 33.038 6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.801 32.315 5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.296 33.019 4.955 1.00 0.00 H new ATOM 498 N SER A 30 3.581 26.826 5.985 1.00 0.00 N ATOM 499 CA SER A 30 3.552 26.302 7.379 1.00 0.00 C ATOM 500 C SER A 30 2.984 24.886 7.365 1.00 0.00 C ATOM 501 O SER A 30 3.592 23.952 7.847 1.00 0.00 O ATOM 502 CB SER A 30 2.668 27.202 8.244 1.00 0.00 C ATOM 503 OG SER A 30 2.628 26.688 9.569 1.00 0.00 O ATOM 0 H SER A 30 2.866 27.521 5.769 1.00 0.00 H new ATOM 0 HA SER A 30 4.561 26.289 7.791 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.059 28.219 8.248 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.661 27.249 7.829 1.00 0.00 H new ATOM 0 HG SER A 30 2.063 27.263 10.126 1.00 0.00 H new ATOM 509 N GLU A 31 1.826 24.725 6.794 1.00 0.00 N ATOM 510 CA GLU A 31 1.209 23.376 6.719 1.00 0.00 C ATOM 511 C GLU A 31 2.146 22.464 5.939 1.00 0.00 C ATOM 512 O GLU A 31 2.304 21.299 6.240 1.00 0.00 O ATOM 513 CB GLU A 31 -0.122 23.482 5.989 1.00 0.00 C ATOM 514 CG GLU A 31 -1.107 24.259 6.856 1.00 0.00 C ATOM 515 CD GLU A 31 -2.342 24.594 6.028 1.00 0.00 C ATOM 516 OE1 GLU A 31 -2.274 25.550 5.272 1.00 0.00 O ATOM 517 OE2 GLU A 31 -3.329 23.889 6.158 1.00 0.00 O ATOM 0 H GLU A 31 1.277 25.475 6.374 1.00 0.00 H new ATOM 0 HA GLU A 31 1.043 22.974 7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.014 23.985 5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.513 22.488 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.388 23.668 7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.643 25.173 7.226 1.00 0.00 H new ATOM 524 N LEU A 32 2.762 23.003 4.926 1.00 0.00 N ATOM 525 CA LEU A 32 3.694 22.207 4.090 1.00 0.00 C ATOM 526 C LEU A 32 4.835 21.675 4.953 1.00 0.00 C ATOM 527 O LEU A 32 5.242 20.549 4.812 1.00 0.00 O ATOM 528 CB LEU A 32 4.252 23.114 2.985 1.00 0.00 C ATOM 529 CG LEU A 32 5.302 22.373 2.149 1.00 0.00 C ATOM 530 CD1 LEU A 32 4.706 21.083 1.569 1.00 0.00 C ATOM 531 CD2 LEU A 32 5.755 23.288 1.004 1.00 0.00 C ATOM 0 H LEU A 32 2.656 23.976 4.640 1.00 0.00 H new ATOM 0 HA LEU A 32 3.169 21.361 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.440 23.451 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.697 24.004 3.429 1.00 0.00 H new ATOM 0 HG LEU A 32 6.151 22.112 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.462 20.567 0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.377 20.436 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.855 21.329 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.503 22.773 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.898 23.542 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.187 24.200 1.416 1.00 0.00 H new ATOM 543 N LYS A 33 5.358 22.472 5.840 1.00 0.00 N ATOM 544 CA LYS A 33 6.478 21.991 6.706 1.00 0.00 C ATOM 545 C LYS A 33 6.028 20.796 7.549 1.00 0.00 C ATOM 546 O LYS A 33 6.771 19.856 7.755 1.00 0.00 O ATOM 547 CB LYS A 33 6.933 23.118 7.635 1.00 0.00 C ATOM 548 CG LYS A 33 8.134 22.644 8.463 1.00 0.00 C ATOM 549 CD LYS A 33 8.605 23.773 9.379 1.00 0.00 C ATOM 550 CE LYS A 33 9.888 23.351 10.103 1.00 0.00 C ATOM 551 NZ LYS A 33 10.576 24.561 10.633 1.00 0.00 N ATOM 0 H LYS A 33 5.062 23.434 6.006 1.00 0.00 H new ATOM 0 HA LYS A 33 7.304 21.684 6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.204 23.998 7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.116 23.412 8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.858 21.772 9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.945 22.336 7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.786 24.676 8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.828 24.013 10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.651 22.667 10.918 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.546 22.815 9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.604 24.456 10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.252 25.401 10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.353 24.673 11.643 1.00 0.00 H new ATOM 565 N GLU A 34 4.831 20.828 8.054 1.00 0.00 N ATOM 566 CA GLU A 34 4.353 19.704 8.897 1.00 0.00 C ATOM 567 C GLU A 34 4.250 18.449 8.040 1.00 0.00 C ATOM 568 O GLU A 34 4.538 17.363 8.483 1.00 0.00 O ATOM 569 CB GLU A 34 2.994 20.058 9.520 1.00 0.00 C ATOM 570 CG GLU A 34 3.178 21.092 10.647 1.00 0.00 C ATOM 571 CD GLU A 34 3.335 22.494 10.059 1.00 0.00 C ATOM 572 OE1 GLU A 34 2.335 23.064 9.660 1.00 0.00 O ATOM 573 OE2 GLU A 34 4.453 22.982 10.037 1.00 0.00 O ATOM 0 H GLU A 34 4.162 21.586 7.919 1.00 0.00 H new ATOM 0 HA GLU A 34 5.058 19.521 9.708 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.328 20.458 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.522 19.159 9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.319 21.066 11.318 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.056 20.839 11.242 1.00 0.00 H new ATOM 580 N LEU A 35 3.847 18.585 6.817 1.00 0.00 N ATOM 581 CA LEU A 35 3.757 17.389 5.942 1.00 0.00 C ATOM 582 C LEU A 35 5.150 16.808 5.721 1.00 0.00 C ATOM 583 O LEU A 35 5.376 15.626 5.865 1.00 0.00 O ATOM 584 CB LEU A 35 3.174 17.801 4.586 1.00 0.00 C ATOM 585 CG LEU A 35 3.235 16.608 3.585 1.00 0.00 C ATOM 586 CD1 LEU A 35 1.986 16.605 2.692 1.00 0.00 C ATOM 587 CD2 LEU A 35 4.488 16.707 2.683 1.00 0.00 C ATOM 0 H LEU A 35 3.576 19.468 6.383 1.00 0.00 H new ATOM 0 HA LEU A 35 3.119 16.643 6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.141 18.127 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.730 18.649 4.186 1.00 0.00 H new ATOM 0 HG LEU A 35 3.283 15.687 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.038 15.768 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.095 16.506 3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.936 17.539 2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.508 15.863 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.456 17.638 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.385 16.690 3.303 1.00 0.00 H new ATOM 599 N ILE A 36 6.076 17.635 5.330 1.00 0.00 N ATOM 600 CA ILE A 36 7.454 17.152 5.040 1.00 0.00 C ATOM 601 C ILE A 36 8.190 16.731 6.307 1.00 0.00 C ATOM 602 O ILE A 36 8.876 15.729 6.328 1.00 0.00 O ATOM 603 CB ILE A 36 8.236 18.272 4.355 1.00 0.00 C ATOM 604 CG1 ILE A 36 7.563 18.621 3.022 1.00 0.00 C ATOM 605 CG2 ILE A 36 9.672 17.814 4.102 1.00 0.00 C ATOM 606 CD1 ILE A 36 8.183 19.896 2.443 1.00 0.00 C ATOM 0 H ILE A 36 5.936 18.637 5.197 1.00 0.00 H new ATOM 0 HA ILE A 36 7.377 16.278 4.394 1.00 0.00 H new ATOM 0 HB ILE A 36 8.248 19.153 4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.681 17.797 2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.492 18.762 3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.228 18.614 3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.148 17.568 5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 36 9.665 16.933 3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.700 20.138 1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.042 20.719 3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.249 19.739 2.277 1.00 0.00 H new ATOM 618 N ASN A 37 8.092 17.495 7.351 1.00 0.00 N ATOM 619 CA ASN A 37 8.836 17.127 8.584 1.00 0.00 C ATOM 620 C ASN A 37 8.242 15.878 9.241 1.00 0.00 C ATOM 621 O ASN A 37 8.954 15.046 9.768 1.00 0.00 O ATOM 622 CB ASN A 37 8.792 18.295 9.570 1.00 0.00 C ATOM 623 CG ASN A 37 9.660 19.437 9.041 1.00 0.00 C ATOM 624 OD1 ASN A 37 9.403 19.944 7.867 1.00 0.00 O flip ATOM 625 ND2 ASN A 37 10.585 19.869 9.700 1.00 0.00 N flip ATOM 0 H ASN A 37 7.537 18.349 7.407 1.00 0.00 H new ATOM 0 HA ASN A 37 9.868 16.907 8.309 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.765 18.635 9.703 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.150 17.974 10.548 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.786 19.473 10.618 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.160 20.628 9.335 1.00 0.00 H new ATOM 632 N ASN A 38 6.946 15.771 9.259 1.00 0.00 N ATOM 633 CA ASN A 38 6.282 14.606 9.938 1.00 0.00 C ATOM 634 C ASN A 38 5.827 13.508 8.967 1.00 0.00 C ATOM 635 O ASN A 38 5.851 12.342 9.310 1.00 0.00 O ATOM 636 CB ASN A 38 5.059 15.114 10.699 1.00 0.00 C ATOM 637 CG ASN A 38 5.505 16.132 11.746 1.00 0.00 C ATOM 638 OD1 ASN A 38 6.777 16.363 11.904 1.00 0.00 O flip ATOM 639 ND2 ASN A 38 4.688 16.728 12.420 1.00 0.00 N flip ATOM 0 H ASN A 38 6.306 16.441 8.832 1.00 0.00 H new ATOM 0 HA ASN A 38 7.024 14.162 10.602 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.351 15.572 10.008 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.544 14.282 11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.692 16.545 12.294 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.998 17.411 13.111 1.00 0.00 H new ATOM 646 N GLU A 39 5.366 13.836 7.784 1.00 0.00 N ATOM 647 CA GLU A 39 4.875 12.747 6.878 1.00 0.00 C ATOM 648 C GLU A 39 6.049 12.111 6.131 1.00 0.00 C ATOM 649 O GLU A 39 5.903 11.076 5.514 1.00 0.00 O ATOM 650 CB GLU A 39 3.840 13.304 5.874 1.00 0.00 C ATOM 651 CG GLU A 39 2.939 12.166 5.381 1.00 0.00 C ATOM 652 CD GLU A 39 1.954 11.782 6.491 1.00 0.00 C ATOM 653 OE1 GLU A 39 2.096 12.298 7.587 1.00 0.00 O ATOM 654 OE2 GLU A 39 1.068 10.989 6.224 1.00 0.00 O ATOM 0 H GLU A 39 5.308 14.784 7.412 1.00 0.00 H new ATOM 0 HA GLU A 39 4.391 11.983 7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.238 14.079 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.350 13.769 5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.396 12.477 4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.544 11.303 5.101 1.00 0.00 H new ATOM 661 N LEU A 40 7.215 12.704 6.197 1.00 0.00 N ATOM 662 CA LEU A 40 8.410 12.118 5.500 1.00 0.00 C ATOM 663 C LEU A 40 9.620 12.213 6.438 1.00 0.00 C ATOM 664 O LEU A 40 10.703 12.589 6.036 1.00 0.00 O ATOM 665 CB LEU A 40 8.710 12.890 4.195 1.00 0.00 C ATOM 666 CG LEU A 40 7.409 13.294 3.464 1.00 0.00 C ATOM 667 CD1 LEU A 40 7.746 14.282 2.337 1.00 0.00 C ATOM 668 CD2 LEU A 40 6.718 12.055 2.852 1.00 0.00 C ATOM 0 H LEU A 40 7.395 13.571 6.704 1.00 0.00 H new ATOM 0 HA LEU A 40 8.205 11.078 5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.292 13.783 4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.321 12.272 3.537 1.00 0.00 H new ATOM 0 HG LEU A 40 6.735 13.755 4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.831 14.569 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.217 15.169 2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.429 13.810 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.805 12.362 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.390 11.580 2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.471 11.348 3.644 1.00 0.00 H new ATOM 680 N SER A 41 9.432 11.901 7.692 1.00 0.00 N ATOM 681 CA SER A 41 10.556 11.993 8.671 1.00 0.00 C ATOM 682 C SER A 41 11.729 11.080 8.279 1.00 0.00 C ATOM 683 O SER A 41 12.875 11.462 8.412 1.00 0.00 O ATOM 684 CB SER A 41 10.048 11.587 10.054 1.00 0.00 C ATOM 685 OG SER A 41 9.079 12.530 10.491 1.00 0.00 O ATOM 0 H SER A 41 8.545 11.585 8.083 1.00 0.00 H new ATOM 0 HA SER A 41 10.916 13.022 8.677 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.611 10.589 10.016 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.877 11.545 10.761 1.00 0.00 H new ATOM 0 HG SER A 41 9.266 13.403 10.086 1.00 0.00 H new ATOM 691 N HIS A 42 11.462 9.876 7.816 1.00 0.00 N ATOM 692 CA HIS A 42 12.582 8.940 7.438 1.00 0.00 C ATOM 693 C HIS A 42 12.482 8.556 5.962 1.00 0.00 C ATOM 694 O HIS A 42 13.453 8.156 5.352 1.00 0.00 O ATOM 695 CB HIS A 42 12.501 7.670 8.295 1.00 0.00 C ATOM 696 CG HIS A 42 11.197 6.958 8.050 1.00 0.00 C ATOM 697 ND1 HIS A 42 11.038 6.033 7.026 1.00 0.00 N ATOM 698 CD2 HIS A 42 9.987 7.013 8.697 1.00 0.00 C ATOM 699 CE1 HIS A 42 9.774 5.572 7.088 1.00 0.00 C ATOM 700 NE2 HIS A 42 9.095 6.138 8.088 1.00 0.00 N ATOM 0 H HIS A 42 10.523 9.501 7.683 1.00 0.00 H new ATOM 0 HA HIS A 42 13.532 9.446 7.611 1.00 0.00 H new ATOM 0 HB2 HIS A 42 13.335 7.009 8.058 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.590 7.929 9.350 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.763 7.639 9.548 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.362 4.837 6.413 1.00 0.00 H new ATOM 0 HE2 HIS A 42 8.125 5.965 8.350 1.00 0.00 H new ATOM 709 N PHE A 43 11.324 8.669 5.381 1.00 0.00 N ATOM 710 CA PHE A 43 11.182 8.303 3.945 1.00 0.00 C ATOM 711 C PHE A 43 11.952 9.309 3.080 1.00 0.00 C ATOM 712 O PHE A 43 12.561 8.950 2.092 1.00 0.00 O ATOM 713 CB PHE A 43 9.693 8.289 3.567 1.00 0.00 C ATOM 714 CG PHE A 43 9.512 8.159 2.063 1.00 0.00 C ATOM 715 CD1 PHE A 43 10.206 7.176 1.335 1.00 0.00 C ATOM 716 CD2 PHE A 43 8.631 9.023 1.392 1.00 0.00 C ATOM 717 CE1 PHE A 43 10.021 7.064 -0.048 1.00 0.00 C ATOM 718 CE2 PHE A 43 8.450 8.907 0.009 1.00 0.00 C ATOM 719 CZ PHE A 43 9.145 7.929 -0.710 1.00 0.00 C ATOM 0 H PHE A 43 10.472 8.997 5.835 1.00 0.00 H new ATOM 0 HA PHE A 43 11.596 7.309 3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.195 7.460 4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.217 9.206 3.916 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.883 6.506 1.844 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.092 9.778 1.944 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.556 6.308 -0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.773 9.574 -0.504 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.005 7.842 -1.777 1.00 0.00 H new ATOM 729 N LEU A 44 11.928 10.568 3.450 1.00 0.00 N ATOM 730 CA LEU A 44 12.655 11.618 2.664 1.00 0.00 C ATOM 731 C LEU A 44 13.470 12.475 3.634 1.00 0.00 C ATOM 732 O LEU A 44 13.204 12.504 4.819 1.00 0.00 O ATOM 733 CB LEU A 44 11.640 12.502 1.926 1.00 0.00 C ATOM 734 CG LEU A 44 12.329 13.278 0.786 1.00 0.00 C ATOM 735 CD1 LEU A 44 12.506 12.383 -0.449 1.00 0.00 C ATOM 736 CD2 LEU A 44 11.471 14.487 0.400 1.00 0.00 C ATOM 0 H LEU A 44 11.432 10.916 4.270 1.00 0.00 H new ATOM 0 HA LEU A 44 13.315 11.149 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.838 11.885 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.182 13.202 2.625 1.00 0.00 H new ATOM 0 HG LEU A 44 13.309 13.604 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.994 12.950 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.120 11.521 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.530 12.042 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.958 15.036 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.491 14.146 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.353 15.140 1.264 1.00 0.00 H new ATOM 748 N GLU A 45 14.460 13.172 3.151 1.00 0.00 N ATOM 749 CA GLU A 45 15.271 14.010 4.070 1.00 0.00 C ATOM 750 C GLU A 45 14.336 14.914 4.873 1.00 0.00 C ATOM 751 O GLU A 45 13.720 15.823 4.355 1.00 0.00 O ATOM 752 CB GLU A 45 16.261 14.857 3.257 1.00 0.00 C ATOM 753 CG GLU A 45 15.511 15.916 2.429 1.00 0.00 C ATOM 754 CD GLU A 45 16.360 16.332 1.224 1.00 0.00 C ATOM 755 OE1 GLU A 45 16.414 15.573 0.271 1.00 0.00 O ATOM 756 OE2 GLU A 45 16.939 17.403 1.276 1.00 0.00 O ATOM 0 H GLU A 45 14.739 13.197 2.170 1.00 0.00 H new ATOM 0 HA GLU A 45 15.834 13.375 4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.968 15.345 3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.841 14.214 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.555 15.516 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.291 16.786 3.048 1.00 0.00 H new ATOM 763 N GLU A 46 14.222 14.655 6.140 1.00 0.00 N ATOM 764 CA GLU A 46 13.333 15.479 6.998 1.00 0.00 C ATOM 765 C GLU A 46 13.836 16.923 6.990 1.00 0.00 C ATOM 766 O GLU A 46 15.016 17.171 7.137 1.00 0.00 O ATOM 767 CB GLU A 46 13.390 14.936 8.430 1.00 0.00 C ATOM 768 CG GLU A 46 12.332 15.627 9.287 1.00 0.00 C ATOM 769 CD GLU A 46 12.523 15.232 10.753 1.00 0.00 C ATOM 770 OE1 GLU A 46 13.370 14.394 11.016 1.00 0.00 O ATOM 771 OE2 GLU A 46 11.820 15.776 11.589 1.00 0.00 O ATOM 0 H GLU A 46 14.710 13.901 6.623 1.00 0.00 H new ATOM 0 HA GLU A 46 12.309 15.442 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.223 13.859 8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.380 15.104 8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.410 16.709 9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.335 15.344 8.950 1.00 0.00 H new ATOM 778 N ILE A 47 12.963 17.888 6.845 1.00 0.00 N ATOM 779 CA ILE A 47 13.436 19.299 6.863 1.00 0.00 C ATOM 780 C ILE A 47 13.621 19.706 8.320 1.00 0.00 C ATOM 781 O ILE A 47 12.858 19.320 9.183 1.00 0.00 O ATOM 782 CB ILE A 47 12.439 20.217 6.152 1.00 0.00 C ATOM 783 CG1 ILE A 47 12.470 19.889 4.649 1.00 0.00 C ATOM 784 CG2 ILE A 47 12.851 21.677 6.385 1.00 0.00 C ATOM 785 CD1 ILE A 47 11.434 20.723 3.895 1.00 0.00 C ATOM 0 H ILE A 47 11.959 17.760 6.717 1.00 0.00 H new ATOM 0 HA ILE A 47 14.382 19.390 6.328 1.00 0.00 H new ATOM 0 HB ILE A 47 11.431 20.069 6.539 1.00 0.00 H new ATOM 0 HG12 ILE A 47 13.465 20.086 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.270 18.828 4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.146 22.339 5.882 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.849 21.890 7.454 1.00 0.00 H new ATOM 0 HG23 ILE A 47 13.852 21.841 5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.471 20.477 2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.439 20.505 4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.652 21.782 4.030 1.00 0.00 H new ATOM 797 N LYS A 48 14.665 20.436 8.607 1.00 0.00 N ATOM 798 CA LYS A 48 14.961 20.825 10.018 1.00 0.00 C ATOM 799 C LYS A 48 14.752 22.327 10.230 1.00 0.00 C ATOM 800 O LYS A 48 14.545 22.770 11.342 1.00 0.00 O ATOM 801 CB LYS A 48 16.429 20.464 10.309 1.00 0.00 C ATOM 802 CG LYS A 48 16.794 19.123 9.617 1.00 0.00 C ATOM 803 CD LYS A 48 17.434 19.378 8.238 1.00 0.00 C ATOM 804 CE LYS A 48 17.970 18.066 7.660 1.00 0.00 C ATOM 805 NZ LYS A 48 19.288 17.756 8.283 1.00 0.00 N ATOM 0 H LYS A 48 15.332 20.783 7.918 1.00 0.00 H new ATOM 0 HA LYS A 48 14.287 20.295 10.691 1.00 0.00 H new ATOM 0 HB2 LYS A 48 17.085 21.258 9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.585 20.382 11.385 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.484 18.560 10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 48 15.899 18.513 9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.698 19.810 7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.244 20.102 8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.265 17.257 7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.076 18.148 6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.027 17.757 7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.511 18.475 9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.247 16.819 8.733 1.00 0.00 H new ATOM 819 N GLU A 49 14.827 23.116 9.183 1.00 0.00 N ATOM 820 CA GLU A 49 14.656 24.600 9.335 1.00 0.00 C ATOM 821 C GLU A 49 13.533 25.121 8.444 1.00 0.00 C ATOM 822 O GLU A 49 13.357 24.699 7.318 1.00 0.00 O ATOM 823 CB GLU A 49 15.964 25.302 8.962 1.00 0.00 C ATOM 824 CG GLU A 49 16.980 25.097 10.080 1.00 0.00 C ATOM 825 CD GLU A 49 18.304 25.760 9.701 1.00 0.00 C ATOM 826 OE1 GLU A 49 18.403 26.247 8.588 1.00 0.00 O ATOM 827 OE2 GLU A 49 19.197 25.772 10.533 1.00 0.00 O ATOM 0 H GLU A 49 14.999 22.798 8.229 1.00 0.00 H new ATOM 0 HA GLU A 49 14.397 24.810 10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 49 16.351 24.902 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.788 26.366 8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 49 16.602 25.522 11.010 1.00 0.00 H new ATOM 0 HG3 GLU A 49 17.133 24.032 10.255 1.00 0.00 H new ATOM 834 N GLN A 50 12.789 26.060 8.952 1.00 0.00 N ATOM 835 CA GLN A 50 11.681 26.665 8.172 1.00 0.00 C ATOM 836 C GLN A 50 12.256 27.310 6.915 1.00 0.00 C ATOM 837 O GLN A 50 11.592 27.420 5.908 1.00 0.00 O ATOM 838 CB GLN A 50 10.992 27.732 9.031 1.00 0.00 C ATOM 839 CG GLN A 50 9.770 28.298 8.300 1.00 0.00 C ATOM 840 CD GLN A 50 8.678 27.232 8.229 1.00 0.00 C ATOM 841 OE1 GLN A 50 8.371 26.708 7.075 1.00 0.00 O flip ATOM 842 NE2 GLN A 50 8.093 26.876 9.233 1.00 0.00 N flip ATOM 0 H GLN A 50 12.905 26.439 9.892 1.00 0.00 H new ATOM 0 HA GLN A 50 10.956 25.901 7.891 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.686 27.299 9.984 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.693 28.535 9.256 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.398 29.180 8.821 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.049 28.615 7.295 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.333 27.286 10.136 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.362 26.167 9.173 1.00 0.00 H new ATOM 851 N GLU A 51 13.479 27.761 6.975 1.00 0.00 N ATOM 852 CA GLU A 51 14.087 28.426 5.782 1.00 0.00 C ATOM 853 C GLU A 51 14.127 27.470 4.592 1.00 0.00 C ATOM 854 O GLU A 51 13.878 27.868 3.477 1.00 0.00 O ATOM 855 CB GLU A 51 15.507 28.903 6.119 1.00 0.00 C ATOM 856 CG GLU A 51 16.462 27.696 6.243 1.00 0.00 C ATOM 857 CD GLU A 51 17.131 27.404 4.892 1.00 0.00 C ATOM 858 OE1 GLU A 51 16.603 27.838 3.882 1.00 0.00 O ATOM 859 OE2 GLU A 51 18.165 26.756 4.895 1.00 0.00 O ATOM 0 H GLU A 51 14.084 27.699 7.794 1.00 0.00 H new ATOM 0 HA GLU A 51 13.472 29.285 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.864 29.580 5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 51 15.497 29.465 7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.223 27.901 6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.909 26.819 6.580 1.00 0.00 H new ATOM 866 N VAL A 52 14.435 26.220 4.798 1.00 0.00 N ATOM 867 CA VAL A 52 14.477 25.286 3.645 1.00 0.00 C ATOM 868 C VAL A 52 13.099 25.241 3.018 1.00 0.00 C ATOM 869 O VAL A 52 12.952 25.209 1.820 1.00 0.00 O ATOM 870 CB VAL A 52 14.870 23.894 4.123 1.00 0.00 C ATOM 871 CG1 VAL A 52 14.909 22.938 2.933 1.00 0.00 C ATOM 872 CG2 VAL A 52 16.243 23.949 4.792 1.00 0.00 C ATOM 0 H VAL A 52 14.657 25.810 5.705 1.00 0.00 H new ATOM 0 HA VAL A 52 15.211 25.625 2.914 1.00 0.00 H new ATOM 0 HB VAL A 52 14.136 23.537 4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 52 15.190 21.942 3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.925 22.897 2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.640 23.292 2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 52 16.522 22.952 5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.983 24.308 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.205 24.627 5.645 1.00 0.00 H new ATOM 882 N VAL A 53 12.091 25.243 3.831 1.00 0.00 N ATOM 883 CA VAL A 53 10.708 25.208 3.304 1.00 0.00 C ATOM 884 C VAL A 53 10.457 26.450 2.468 1.00 0.00 C ATOM 885 O VAL A 53 9.784 26.404 1.471 1.00 0.00 O ATOM 886 CB VAL A 53 9.729 25.179 4.463 1.00 0.00 C ATOM 887 CG1 VAL A 53 8.305 25.025 3.933 1.00 0.00 C ATOM 888 CG2 VAL A 53 10.084 24.014 5.370 1.00 0.00 C ATOM 0 H VAL A 53 12.166 25.268 4.848 1.00 0.00 H new ATOM 0 HA VAL A 53 10.574 24.318 2.689 1.00 0.00 H new ATOM 0 HB VAL A 53 9.788 26.110 5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.606 25.005 4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.067 25.865 3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.225 24.095 3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.388 23.980 6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 53 10.020 23.082 4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.099 24.142 5.746 1.00 0.00 H new ATOM 898 N ASP A 54 10.976 27.565 2.891 1.00 0.00 N ATOM 899 CA ASP A 54 10.763 28.832 2.140 1.00 0.00 C ATOM 900 C ASP A 54 11.430 28.741 0.769 1.00 0.00 C ATOM 901 O ASP A 54 10.926 29.241 -0.215 1.00 0.00 O ATOM 902 CB ASP A 54 11.358 29.996 2.939 1.00 0.00 C ATOM 903 CG ASP A 54 11.085 31.318 2.218 1.00 0.00 C ATOM 904 OD1 ASP A 54 10.917 31.291 1.010 1.00 0.00 O ATOM 905 OD2 ASP A 54 11.044 32.337 2.888 1.00 0.00 O ATOM 0 H ASP A 54 11.544 27.655 3.733 1.00 0.00 H new ATOM 0 HA ASP A 54 9.695 28.999 1.998 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.924 30.021 3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.432 29.853 3.061 1.00 0.00 H new ATOM 910 N LYS A 55 12.560 28.107 0.710 1.00 0.00 N ATOM 911 CA LYS A 55 13.287 27.967 -0.583 1.00 0.00 C ATOM 912 C LYS A 55 12.473 27.065 -1.501 1.00 0.00 C ATOM 913 O LYS A 55 12.339 27.308 -2.687 1.00 0.00 O ATOM 914 CB LYS A 55 14.658 27.335 -0.327 1.00 0.00 C ATOM 915 CG LYS A 55 15.507 27.403 -1.597 1.00 0.00 C ATOM 916 CD LYS A 55 16.873 26.767 -1.324 1.00 0.00 C ATOM 917 CE LYS A 55 17.735 26.832 -2.585 1.00 0.00 C ATOM 918 NZ LYS A 55 18.003 28.256 -2.933 1.00 0.00 N ATOM 0 H LYS A 55 13.020 27.673 1.510 1.00 0.00 H new ATOM 0 HA LYS A 55 13.423 28.944 -1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.162 27.856 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.537 26.298 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.006 26.881 -2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.631 28.439 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 55 17.370 27.288 -0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 55 16.746 25.730 -1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 55 18.674 26.303 -2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.227 26.334 -3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.018 28.382 -3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 17.457 28.515 -3.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 17.721 28.866 -2.139 1.00 0.00 H new ATOM 932 N VAL A 56 11.905 26.034 -0.946 1.00 0.00 N ATOM 933 CA VAL A 56 11.074 25.117 -1.762 1.00 0.00 C ATOM 934 C VAL A 56 9.849 25.895 -2.208 1.00 0.00 C ATOM 935 O VAL A 56 9.333 25.713 -3.292 1.00 0.00 O ATOM 936 CB VAL A 56 10.675 23.898 -0.909 1.00 0.00 C ATOM 937 CG1 VAL A 56 9.456 23.186 -1.511 1.00 0.00 C ATOM 938 CG2 VAL A 56 11.847 22.916 -0.865 1.00 0.00 C ATOM 0 H VAL A 56 11.982 25.788 0.041 1.00 0.00 H new ATOM 0 HA VAL A 56 11.617 24.752 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 56 10.422 24.242 0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.193 22.329 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.614 23.877 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.694 22.846 -2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.573 22.050 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.089 22.593 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.715 23.405 -0.423 1.00 0.00 H new ATOM 948 N MET A 57 9.392 26.774 -1.372 1.00 0.00 N ATOM 949 CA MET A 57 8.208 27.585 -1.731 1.00 0.00 C ATOM 950 C MET A 57 8.591 28.575 -2.819 1.00 0.00 C ATOM 951 O MET A 57 7.773 29.008 -3.584 1.00 0.00 O ATOM 952 CB MET A 57 7.661 28.298 -0.502 1.00 0.00 C ATOM 953 CG MET A 57 6.988 27.263 0.408 1.00 0.00 C ATOM 954 SD MET A 57 5.443 26.694 -0.345 1.00 0.00 S ATOM 955 CE MET A 57 4.381 28.038 0.240 1.00 0.00 C ATOM 0 H MET A 57 9.789 26.966 -0.452 1.00 0.00 H new ATOM 0 HA MET A 57 7.420 26.935 -2.111 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.466 28.803 0.031 1.00 0.00 H new ATOM 0 HB3 MET A 57 6.944 29.064 -0.797 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.657 26.418 0.569 1.00 0.00 H new ATOM 0 HG3 MET A 57 6.787 27.701 1.385 1.00 0.00 H new ATOM 0 HE1 MET A 57 3.679 27.652 0.979 1.00 0.00 H new ATOM 0 HE2 MET A 57 4.995 28.815 0.695 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.829 28.457 -0.601 1.00 0.00 H new ATOM 965 N GLU A 58 9.836 28.925 -2.931 1.00 0.00 N ATOM 966 CA GLU A 58 10.209 29.861 -4.019 1.00 0.00 C ATOM 967 C GLU A 58 9.821 29.169 -5.324 1.00 0.00 C ATOM 968 O GLU A 58 9.294 29.769 -6.239 1.00 0.00 O ATOM 969 CB GLU A 58 11.717 30.127 -3.983 1.00 0.00 C ATOM 970 CG GLU A 58 12.081 31.150 -5.060 1.00 0.00 C ATOM 971 CD GLU A 58 13.587 31.418 -5.020 1.00 0.00 C ATOM 972 OE1 GLU A 58 14.221 30.976 -4.076 1.00 0.00 O ATOM 973 OE2 GLU A 58 14.081 32.055 -5.935 1.00 0.00 O ATOM 0 H GLU A 58 10.598 28.612 -2.330 1.00 0.00 H new ATOM 0 HA GLU A 58 9.704 30.821 -3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.008 30.499 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.265 29.199 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.793 30.777 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.531 32.077 -4.897 1.00 0.00 H new ATOM 980 N THR A 59 10.059 27.886 -5.384 1.00 0.00 N ATOM 981 CA THR A 59 9.694 27.088 -6.589 1.00 0.00 C ATOM 982 C THR A 59 8.208 26.689 -6.539 1.00 0.00 C ATOM 983 O THR A 59 7.539 26.624 -7.552 1.00 0.00 O ATOM 984 CB THR A 59 10.559 25.821 -6.611 1.00 0.00 C ATOM 985 OG1 THR A 59 11.910 26.173 -6.869 1.00 0.00 O ATOM 986 CG2 THR A 59 10.072 24.854 -7.691 1.00 0.00 C ATOM 0 H THR A 59 10.498 27.349 -4.636 1.00 0.00 H new ATOM 0 HA THR A 59 9.864 27.684 -7.486 1.00 0.00 H new ATOM 0 HB THR A 59 10.482 25.331 -5.641 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.462 25.364 -6.881 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.699 23.962 -7.690 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.039 24.572 -7.488 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.131 25.338 -8.666 1.00 0.00 H new ATOM 994 N LEU A 60 7.700 26.387 -5.370 1.00 0.00 N ATOM 995 CA LEU A 60 6.274 25.948 -5.243 1.00 0.00 C ATOM 996 C LEU A 60 5.349 27.156 -5.076 1.00 0.00 C ATOM 997 O LEU A 60 4.159 27.063 -5.300 1.00 0.00 O ATOM 998 CB LEU A 60 6.156 25.015 -4.009 1.00 0.00 C ATOM 999 CG LEU A 60 5.846 23.567 -4.440 1.00 0.00 C ATOM 1000 CD1 LEU A 60 7.022 22.984 -5.260 1.00 0.00 C ATOM 1001 CD2 LEU A 60 5.580 22.693 -3.189 1.00 0.00 C ATOM 0 H LEU A 60 8.216 26.426 -4.491 1.00 0.00 H new ATOM 0 HA LEU A 60 5.974 25.418 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.086 25.038 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.369 25.378 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 60 4.956 23.569 -5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.787 21.962 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.182 23.592 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.926 22.987 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.361 21.671 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.462 22.697 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.729 23.095 -2.639 1.00 0.00 H new ATOM 1013 N ASP A 61 5.868 28.283 -4.697 1.00 0.00 N ATOM 1014 CA ASP A 61 4.985 29.468 -4.538 1.00 0.00 C ATOM 1015 C ASP A 61 4.748 30.048 -5.918 1.00 0.00 C ATOM 1016 O ASP A 61 5.087 31.177 -6.211 1.00 0.00 O ATOM 1017 CB ASP A 61 5.640 30.518 -3.643 1.00 0.00 C ATOM 1018 CG ASP A 61 4.644 31.644 -3.386 1.00 0.00 C ATOM 1019 OD1 ASP A 61 3.544 31.568 -3.913 1.00 0.00 O ATOM 1020 OD2 ASP A 61 4.993 32.563 -2.664 1.00 0.00 O ATOM 0 H ASP A 61 6.855 28.437 -4.492 1.00 0.00 H new ATOM 0 HA ASP A 61 4.046 29.172 -4.070 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.951 30.068 -2.700 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.538 30.911 -4.119 1.00 0.00 H new ATOM 1025 N GLU A 62 4.177 29.258 -6.769 1.00 0.00 N ATOM 1026 CA GLU A 62 3.913 29.711 -8.152 1.00 0.00 C ATOM 1027 C GLU A 62 2.997 30.932 -8.112 1.00 0.00 C ATOM 1028 O GLU A 62 3.175 31.879 -8.852 1.00 0.00 O ATOM 1029 CB GLU A 62 3.231 28.576 -8.907 1.00 0.00 C ATOM 1030 CG GLU A 62 4.087 27.307 -8.792 1.00 0.00 C ATOM 1031 CD GLU A 62 3.520 26.225 -9.713 1.00 0.00 C ATOM 1032 OE1 GLU A 62 2.494 26.474 -10.325 1.00 0.00 O ATOM 1033 OE2 GLU A 62 4.120 25.166 -9.791 1.00 0.00 O ATOM 0 H GLU A 62 3.878 28.305 -6.563 1.00 0.00 H new ATOM 0 HA GLU A 62 4.844 29.980 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.237 28.397 -8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.100 28.847 -9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.120 27.526 -9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.096 26.954 -7.761 1.00 0.00 H new ATOM 1040 N ASP A 63 2.026 30.926 -7.242 1.00 0.00 N ATOM 1041 CA ASP A 63 1.111 32.095 -7.144 1.00 0.00 C ATOM 1042 C ASP A 63 1.862 33.248 -6.477 1.00 0.00 C ATOM 1043 O ASP A 63 1.425 34.381 -6.492 1.00 0.00 O ATOM 1044 CB ASP A 63 -0.108 31.727 -6.296 1.00 0.00 C ATOM 1045 CG ASP A 63 -0.855 30.565 -6.952 1.00 0.00 C ATOM 1046 OD1 ASP A 63 -1.115 30.649 -8.142 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -1.155 29.611 -6.254 1.00 0.00 O ATOM 0 H ASP A 63 1.827 30.163 -6.595 1.00 0.00 H new ATOM 0 HA ASP A 63 0.778 32.388 -8.140 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.206 31.449 -5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.769 32.588 -6.197 1.00 0.00 H new ATOM 1052 N GLY A 64 3.001 32.966 -5.899 1.00 0.00 N ATOM 1053 CA GLY A 64 3.792 34.047 -5.238 1.00 0.00 C ATOM 1054 C GLY A 64 3.061 34.541 -3.982 1.00 0.00 C ATOM 1055 O GLY A 64 3.188 35.688 -3.602 1.00 0.00 O ATOM 0 H GLY A 64 3.417 32.036 -5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.780 33.673 -4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.941 34.875 -5.931 1.00 0.00 H new ATOM 1059 N ASP A 65 2.289 33.692 -3.339 1.00 0.00 N ATOM 1060 CA ASP A 65 1.539 34.123 -2.111 1.00 0.00 C ATOM 1061 C ASP A 65 2.178 33.514 -0.860 1.00 0.00 C ATOM 1062 O ASP A 65 1.705 33.705 0.244 1.00 0.00 O ATOM 1063 CB ASP A 65 0.089 33.652 -2.222 1.00 0.00 C ATOM 1064 CG ASP A 65 0.049 32.126 -2.315 1.00 0.00 C ATOM 1065 OD1 ASP A 65 1.105 31.535 -2.469 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -1.036 31.575 -2.228 1.00 0.00 O ATOM 0 H ASP A 65 2.146 32.720 -3.612 1.00 0.00 H new ATOM 0 HA ASP A 65 1.574 35.210 -2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.480 33.988 -1.355 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.380 34.092 -3.102 1.00 0.00 H new ATOM 1071 N GLY A 66 3.237 32.774 -1.019 1.00 0.00 N ATOM 1072 CA GLY A 66 3.889 32.143 0.165 1.00 0.00 C ATOM 1073 C GLY A 66 3.103 30.890 0.546 1.00 0.00 C ATOM 1074 O GLY A 66 3.372 30.243 1.539 1.00 0.00 O ATOM 0 H GLY A 66 3.681 32.577 -1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.923 31.885 -0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.914 32.843 1.001 1.00 0.00 H new ATOM 1078 N GLU A 67 2.130 30.549 -0.255 1.00 0.00 N ATOM 1079 CA GLU A 67 1.293 29.342 0.005 1.00 0.00 C ATOM 1080 C GLU A 67 1.149 28.584 -1.320 1.00 0.00 C ATOM 1081 O GLU A 67 0.924 29.184 -2.352 1.00 0.00 O ATOM 1082 CB GLU A 67 -0.094 29.792 0.477 1.00 0.00 C ATOM 1083 CG GLU A 67 0.054 30.823 1.597 1.00 0.00 C ATOM 1084 CD GLU A 67 -1.332 31.276 2.064 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -2.299 30.937 1.401 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -1.402 31.958 3.073 1.00 0.00 O ATOM 0 H GLU A 67 1.875 31.067 -1.096 1.00 0.00 H new ATOM 0 HA GLU A 67 1.749 28.708 0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.651 30.222 -0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.664 28.934 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.607 30.392 2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.628 31.680 1.243 1.00 0.00 H new ATOM 1093 N CYS A 68 1.268 27.279 -1.312 1.00 0.00 N ATOM 1094 CA CYS A 68 1.129 26.496 -2.584 1.00 0.00 C ATOM 1095 C CYS A 68 -0.250 25.832 -2.598 1.00 0.00 C ATOM 1096 O CYS A 68 -0.654 25.191 -1.653 1.00 0.00 O ATOM 1097 CB CYS A 68 2.253 25.441 -2.671 1.00 0.00 C ATOM 1098 SG CYS A 68 2.825 25.031 -1.003 1.00 0.00 S ATOM 0 H CYS A 68 1.456 26.720 -0.480 1.00 0.00 H new ATOM 0 HA CYS A 68 1.218 27.154 -3.449 1.00 0.00 H new ATOM 0 HB2 CYS A 68 1.887 24.545 -3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 68 3.081 25.824 -3.267 1.00 0.00 H new ATOM 0 HG CYS A 68 3.976 25.596 -0.788 1.00 0.00 H new ATOM 1104 N ASP A 69 -0.977 26.000 -3.662 1.00 0.00 N ATOM 1105 CA ASP A 69 -2.338 25.402 -3.747 1.00 0.00 C ATOM 1106 C ASP A 69 -2.224 23.896 -3.955 1.00 0.00 C ATOM 1107 O ASP A 69 -1.156 23.376 -4.213 1.00 0.00 O ATOM 1108 CB ASP A 69 -3.088 26.020 -4.927 1.00 0.00 C ATOM 1109 CG ASP A 69 -4.550 25.574 -4.891 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -4.817 24.456 -5.301 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -5.379 26.356 -4.453 1.00 0.00 O ATOM 0 H ASP A 69 -0.687 26.530 -4.484 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.879 25.600 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.027 27.107 -4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.626 25.714 -5.866 1.00 0.00 H new ATOM 1116 N PHE A 70 -3.316 23.187 -3.854 1.00 0.00 N ATOM 1117 CA PHE A 70 -3.268 21.724 -4.053 1.00 0.00 C ATOM 1118 C PHE A 70 -2.547 21.443 -5.373 1.00 0.00 C ATOM 1119 O PHE A 70 -1.758 20.536 -5.469 1.00 0.00 O ATOM 1120 CB PHE A 70 -4.702 21.183 -4.082 1.00 0.00 C ATOM 1121 CG PHE A 70 -4.715 19.783 -4.648 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -3.889 18.797 -4.096 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -5.544 19.475 -5.732 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -3.892 17.507 -4.627 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -5.545 18.187 -6.263 1.00 0.00 C ATOM 1126 CZ PHE A 70 -4.720 17.200 -5.713 1.00 0.00 C ATOM 0 H PHE A 70 -4.239 23.566 -3.641 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.729 21.232 -3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.119 21.181 -3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.333 21.834 -4.687 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.249 19.035 -3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.183 20.235 -6.157 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.256 16.746 -4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.184 17.950 -7.101 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.722 16.202 -6.126 1.00 0.00 H new ATOM 1136 N GLN A 71 -2.804 22.229 -6.379 1.00 0.00 N ATOM 1137 CA GLN A 71 -2.108 22.028 -7.682 1.00 0.00 C ATOM 1138 C GLN A 71 -0.592 22.186 -7.500 1.00 0.00 C ATOM 1139 O GLN A 71 0.188 21.371 -7.944 1.00 0.00 O ATOM 1140 CB GLN A 71 -2.619 23.075 -8.683 1.00 0.00 C ATOM 1141 CG GLN A 71 -1.720 23.100 -9.925 1.00 0.00 C ATOM 1142 CD GLN A 71 -2.386 23.923 -11.029 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -3.142 23.398 -11.823 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -2.126 25.199 -11.121 1.00 0.00 N ATOM 0 H GLN A 71 -3.467 23.004 -6.357 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.313 21.024 -8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.644 22.844 -8.971 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.634 24.060 -8.215 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.750 23.528 -9.674 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.539 22.084 -10.275 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.492 25.640 -10.455 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.557 25.755 -11.859 1.00 0.00 H new ATOM 1153 N GLU A 72 -0.171 23.246 -6.876 1.00 0.00 N ATOM 1154 CA GLU A 72 1.292 23.470 -6.693 1.00 0.00 C ATOM 1155 C GLU A 72 1.907 22.337 -5.866 1.00 0.00 C ATOM 1156 O GLU A 72 2.996 21.869 -6.145 1.00 0.00 O ATOM 1157 CB GLU A 72 1.500 24.808 -5.982 1.00 0.00 C ATOM 1158 CG GLU A 72 1.141 25.957 -6.923 1.00 0.00 C ATOM 1159 CD GLU A 72 1.147 27.275 -6.144 1.00 0.00 C ATOM 1160 OE1 GLU A 72 0.140 27.580 -5.528 1.00 0.00 O ATOM 1161 OE2 GLU A 72 2.159 27.956 -6.175 1.00 0.00 O ATOM 0 H GLU A 72 -0.774 23.969 -6.483 1.00 0.00 H new ATOM 0 HA GLU A 72 1.782 23.487 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.882 24.854 -5.086 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.537 24.901 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.855 26.005 -7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.159 25.787 -7.364 1.00 0.00 H new ATOM 1168 N PHE A 73 1.220 21.890 -4.858 1.00 0.00 N ATOM 1169 CA PHE A 73 1.759 20.788 -4.016 1.00 0.00 C ATOM 1170 C PHE A 73 1.864 19.519 -4.851 1.00 0.00 C ATOM 1171 O PHE A 73 2.754 18.713 -4.675 1.00 0.00 O ATOM 1172 CB PHE A 73 0.827 20.526 -2.836 1.00 0.00 C ATOM 1173 CG PHE A 73 1.405 19.408 -2.009 1.00 0.00 C ATOM 1174 CD1 PHE A 73 1.164 18.076 -2.367 1.00 0.00 C ATOM 1175 CD2 PHE A 73 2.201 19.702 -0.897 1.00 0.00 C ATOM 1176 CE1 PHE A 73 1.715 17.038 -1.607 1.00 0.00 C ATOM 1177 CE2 PHE A 73 2.753 18.665 -0.140 1.00 0.00 C ATOM 1178 CZ PHE A 73 2.510 17.333 -0.495 1.00 0.00 C ATOM 0 H PHE A 73 0.304 22.241 -4.578 1.00 0.00 H new ATOM 0 HA PHE A 73 2.743 21.076 -3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.718 21.427 -2.232 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.168 20.259 -3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.554 17.850 -3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.389 20.730 -0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.526 16.010 -1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.367 18.891 0.719 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.937 16.532 0.091 1.00 0.00 H new ATOM 1188 N MET A 74 0.935 19.335 -5.740 1.00 0.00 N ATOM 1189 CA MET A 74 0.920 18.123 -6.591 1.00 0.00 C ATOM 1190 C MET A 74 2.208 18.037 -7.416 1.00 0.00 C ATOM 1191 O MET A 74 2.748 16.971 -7.636 1.00 0.00 O ATOM 1192 CB MET A 74 -0.316 18.167 -7.503 1.00 0.00 C ATOM 1193 CG MET A 74 -0.191 17.143 -8.634 1.00 0.00 C ATOM 1194 SD MET A 74 0.493 15.581 -7.992 1.00 0.00 S ATOM 1195 CE MET A 74 -1.029 14.624 -7.755 1.00 0.00 C ATOM 0 H MET A 74 0.171 19.988 -5.915 1.00 0.00 H new ATOM 0 HA MET A 74 0.868 17.233 -5.964 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.213 17.963 -6.918 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.430 19.167 -7.922 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.168 16.964 -9.082 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.454 17.535 -9.421 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.125 14.347 -6.705 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.888 15.227 -8.051 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.991 13.722 -8.366 1.00 0.00 H new ATOM 1205 N ALA A 75 2.698 19.135 -7.901 1.00 0.00 N ATOM 1206 CA ALA A 75 3.935 19.070 -8.727 1.00 0.00 C ATOM 1207 C ALA A 75 5.151 18.709 -7.861 1.00 0.00 C ATOM 1208 O ALA A 75 6.086 18.089 -8.326 1.00 0.00 O ATOM 1209 CB ALA A 75 4.161 20.415 -9.425 1.00 0.00 C ATOM 0 H ALA A 75 2.305 20.066 -7.766 1.00 0.00 H new ATOM 0 HA ALA A 75 3.812 18.291 -9.479 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.067 20.364 -10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.309 20.639 -10.067 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.268 21.200 -8.676 1.00 0.00 H new ATOM 1215 N PHE A 76 5.151 19.088 -6.616 1.00 0.00 N ATOM 1216 CA PHE A 76 6.314 18.761 -5.728 1.00 0.00 C ATOM 1217 C PHE A 76 6.395 17.251 -5.481 1.00 0.00 C ATOM 1218 O PHE A 76 7.443 16.711 -5.194 1.00 0.00 O ATOM 1219 CB PHE A 76 6.139 19.500 -4.398 1.00 0.00 C ATOM 1220 CG PHE A 76 7.132 18.999 -3.377 1.00 0.00 C ATOM 1221 CD1 PHE A 76 6.789 17.927 -2.546 1.00 0.00 C ATOM 1222 CD2 PHE A 76 8.387 19.606 -3.255 1.00 0.00 C ATOM 1223 CE1 PHE A 76 7.699 17.461 -1.593 1.00 0.00 C ATOM 1224 CE2 PHE A 76 9.299 19.139 -2.302 1.00 0.00 C ATOM 1225 CZ PHE A 76 8.955 18.068 -1.471 1.00 0.00 C ATOM 0 H PHE A 76 4.398 19.611 -6.168 1.00 0.00 H new ATOM 0 HA PHE A 76 7.239 19.076 -6.211 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.275 20.571 -4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.124 19.357 -4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.820 17.459 -2.641 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.651 20.434 -3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.434 16.634 -0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.268 19.606 -2.208 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.659 17.709 -0.735 1.00 0.00 H new ATOM 1235 N VAL A 77 5.296 16.578 -5.571 1.00 0.00 N ATOM 1236 CA VAL A 77 5.291 15.103 -5.331 1.00 0.00 C ATOM 1237 C VAL A 77 5.846 14.404 -6.571 1.00 0.00 C ATOM 1238 O VAL A 77 6.451 13.355 -6.493 1.00 0.00 O ATOM 1239 CB VAL A 77 3.839 14.628 -5.051 1.00 0.00 C ATOM 1240 CG1 VAL A 77 3.812 13.531 -3.976 1.00 0.00 C ATOM 1241 CG2 VAL A 77 3.004 15.814 -4.572 1.00 0.00 C ATOM 0 H VAL A 77 4.388 16.980 -5.802 1.00 0.00 H new ATOM 0 HA VAL A 77 5.910 14.859 -4.468 1.00 0.00 H new ATOM 0 HB VAL A 77 3.428 14.220 -5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.783 13.218 -3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.399 12.676 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.236 13.919 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.984 15.485 -4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.438 16.219 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.993 16.586 -5.342 1.00 0.00 H new ATOM 1251 N SER A 78 5.615 14.977 -7.712 1.00 0.00 N ATOM 1252 CA SER A 78 6.089 14.365 -8.973 1.00 0.00 C ATOM 1253 C SER A 78 7.623 14.426 -9.057 1.00 0.00 C ATOM 1254 O SER A 78 8.265 13.467 -9.429 1.00 0.00 O ATOM 1255 CB SER A 78 5.454 15.133 -10.149 1.00 0.00 C ATOM 1256 OG SER A 78 4.298 15.819 -9.683 1.00 0.00 O ATOM 0 H SER A 78 5.110 15.856 -7.825 1.00 0.00 H new ATOM 0 HA SER A 78 5.796 13.316 -9.011 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.170 15.841 -10.566 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.185 14.443 -10.949 1.00 0.00 H new ATOM 0 HG SER A 78 3.844 16.246 -10.439 1.00 0.00 H new ATOM 1262 N MET A 79 8.222 15.541 -8.735 1.00 0.00 N ATOM 1263 CA MET A 79 9.710 15.623 -8.840 1.00 0.00 C ATOM 1264 C MET A 79 10.392 14.767 -7.770 1.00 0.00 C ATOM 1265 O MET A 79 11.370 14.097 -8.039 1.00 0.00 O ATOM 1266 CB MET A 79 10.160 17.080 -8.679 1.00 0.00 C ATOM 1267 CG MET A 79 9.350 17.767 -7.566 1.00 0.00 C ATOM 1268 SD MET A 79 10.383 18.996 -6.729 1.00 0.00 S ATOM 1269 CE MET A 79 11.020 19.819 -8.208 1.00 0.00 C ATOM 0 H MET A 79 7.755 16.387 -8.409 1.00 0.00 H new ATOM 0 HA MET A 79 9.998 15.246 -9.821 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.223 17.116 -8.440 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.027 17.615 -9.619 1.00 0.00 H new ATOM 0 HG2 MET A 79 8.467 18.247 -7.989 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.997 17.026 -6.849 1.00 0.00 H new ATOM 0 HE1 MET A 79 11.322 20.836 -7.957 1.00 0.00 H new ATOM 0 HE2 MET A 79 11.880 19.269 -8.589 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.242 19.849 -8.971 1.00 0.00 H new ATOM 1279 N VAL A 80 9.909 14.787 -6.564 1.00 0.00 N ATOM 1280 CA VAL A 80 10.571 13.978 -5.506 1.00 0.00 C ATOM 1281 C VAL A 80 10.433 12.497 -5.844 1.00 0.00 C ATOM 1282 O VAL A 80 11.314 11.700 -5.586 1.00 0.00 O ATOM 1283 CB VAL A 80 9.938 14.259 -4.148 1.00 0.00 C ATOM 1284 CG1 VAL A 80 10.685 13.459 -3.079 1.00 0.00 C ATOM 1285 CG2 VAL A 80 10.037 15.754 -3.832 1.00 0.00 C ATOM 0 H VAL A 80 9.093 15.322 -6.265 1.00 0.00 H new ATOM 0 HA VAL A 80 11.626 14.247 -5.459 1.00 0.00 H new ATOM 0 HB VAL A 80 8.888 13.967 -4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.240 13.652 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.615 12.395 -3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.733 13.759 -3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.584 15.951 -2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.085 16.053 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.513 16.324 -4.599 1.00 0.00 H new ATOM 1295 N THR A 81 9.330 12.128 -6.422 1.00 0.00 N ATOM 1296 CA THR A 81 9.113 10.704 -6.792 1.00 0.00 C ATOM 1297 C THR A 81 10.203 10.282 -7.759 1.00 0.00 C ATOM 1298 O THR A 81 10.723 9.186 -7.704 1.00 0.00 O ATOM 1299 CB THR A 81 7.775 10.579 -7.509 1.00 0.00 C ATOM 1300 OG1 THR A 81 6.732 11.014 -6.653 1.00 0.00 O ATOM 1301 CG2 THR A 81 7.536 9.120 -7.940 1.00 0.00 C ATOM 0 H THR A 81 8.561 12.756 -6.657 1.00 0.00 H new ATOM 0 HA THR A 81 9.128 10.082 -5.897 1.00 0.00 H new ATOM 0 HB THR A 81 7.789 11.206 -8.401 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.438 11.909 -6.924 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.576 9.044 -8.451 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.332 8.805 -8.614 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.530 8.477 -7.060 1.00 0.00 H new ATOM 1309 N THR A 82 10.537 11.154 -8.653 1.00 0.00 N ATOM 1310 CA THR A 82 11.577 10.842 -9.651 1.00 0.00 C ATOM 1311 C THR A 82 12.845 10.419 -8.903 1.00 0.00 C ATOM 1312 O THR A 82 13.530 9.488 -9.287 1.00 0.00 O ATOM 1313 CB THR A 82 11.824 12.102 -10.493 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.594 12.795 -10.656 1.00 0.00 O ATOM 1315 CG2 THR A 82 12.359 11.717 -11.871 1.00 0.00 C ATOM 0 H THR A 82 10.127 12.084 -8.735 1.00 0.00 H new ATOM 0 HA THR A 82 11.273 10.031 -10.313 1.00 0.00 H new ATOM 0 HB THR A 82 12.554 12.734 -9.987 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.742 13.602 -11.191 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.531 12.618 -12.460 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.297 11.173 -11.758 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.632 11.084 -12.380 1.00 0.00 H new ATOM 1323 N ALA A 83 13.138 11.070 -7.811 1.00 0.00 N ATOM 1324 CA ALA A 83 14.331 10.683 -7.011 1.00 0.00 C ATOM 1325 C ALA A 83 14.154 9.232 -6.564 1.00 0.00 C ATOM 1326 O ALA A 83 15.094 8.464 -6.510 1.00 0.00 O ATOM 1327 CB ALA A 83 14.444 11.584 -5.778 1.00 0.00 C ATOM 0 H ALA A 83 12.602 11.854 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 83 15.235 10.791 -7.611 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.319 11.296 -5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.544 12.622 -6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.549 11.476 -5.165 1.00 0.00 H new ATOM 1333 N CYS A 84 12.943 8.856 -6.244 1.00 0.00 N ATOM 1334 CA CYS A 84 12.678 7.459 -5.794 1.00 0.00 C ATOM 1335 C CYS A 84 13.101 6.482 -6.891 1.00 0.00 C ATOM 1336 O CYS A 84 13.591 5.411 -6.615 1.00 0.00 O ATOM 1337 CB CYS A 84 11.183 7.287 -5.512 1.00 0.00 C ATOM 1338 SG CYS A 84 10.925 5.787 -4.532 1.00 0.00 S ATOM 0 H CYS A 84 12.122 9.461 -6.276 1.00 0.00 H new ATOM 0 HA CYS A 84 13.246 7.258 -4.886 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.801 8.155 -4.976 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.630 7.222 -6.449 1.00 0.00 H new ATOM 0 HG CYS A 84 9.656 5.640 -4.290 1.00 0.00 H new ATOM 1344 N HIS A 85 12.921 6.836 -8.131 1.00 0.00 N ATOM 1345 CA HIS A 85 13.332 5.909 -9.223 1.00 0.00 C ATOM 1346 C HIS A 85 14.830 5.641 -9.109 1.00 0.00 C ATOM 1347 O HIS A 85 15.286 4.528 -9.287 1.00 0.00 O ATOM 1348 CB HIS A 85 13.031 6.551 -10.578 1.00 0.00 C ATOM 1349 CG HIS A 85 13.463 5.626 -11.683 1.00 0.00 C ATOM 1350 ND1 HIS A 85 14.787 5.527 -12.087 1.00 0.00 N ATOM 1351 CD2 HIS A 85 12.760 4.761 -12.484 1.00 0.00 C ATOM 1352 CE1 HIS A 85 14.839 4.632 -13.092 1.00 0.00 C ATOM 1353 NE2 HIS A 85 13.632 4.137 -13.369 1.00 0.00 N ATOM 0 H HIS A 85 12.511 7.719 -8.436 1.00 0.00 H new ATOM 0 HA HIS A 85 12.781 4.972 -9.138 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.965 6.762 -10.663 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.552 7.504 -10.664 1.00 0.00 H new ATOM 0 HD2 HIS A 85 11.695 4.591 -12.434 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.745 4.350 -13.609 1.00 0.00 H new ATOM 0 HE2 HIS A 85 13.398 3.445 -14.081 1.00 0.00 H new ATOM 1362 N GLU A 86 15.600 6.645 -8.797 1.00 0.00 N ATOM 1363 CA GLU A 86 17.065 6.431 -8.656 1.00 0.00 C ATOM 1364 C GLU A 86 17.335 5.452 -7.511 1.00 0.00 C ATOM 1365 O GLU A 86 18.195 4.599 -7.600 1.00 0.00 O ATOM 1366 CB GLU A 86 17.760 7.765 -8.365 1.00 0.00 C ATOM 1367 CG GLU A 86 17.718 8.652 -9.611 1.00 0.00 C ATOM 1368 CD GLU A 86 18.414 9.982 -9.316 1.00 0.00 C ATOM 1369 OE1 GLU A 86 18.716 10.228 -8.159 1.00 0.00 O ATOM 1370 OE2 GLU A 86 18.634 10.732 -10.252 1.00 0.00 O ATOM 0 H GLU A 86 15.280 7.600 -8.634 1.00 0.00 H new ATOM 0 HA GLU A 86 17.456 6.018 -9.586 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.268 8.268 -7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.794 7.590 -8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.209 8.150 -10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.685 8.829 -9.910 1.00 0.00 H new ATOM 1377 N PHE A 87 16.602 5.572 -6.437 1.00 0.00 N ATOM 1378 CA PHE A 87 16.805 4.657 -5.276 1.00 0.00 C ATOM 1379 C PHE A 87 16.024 3.367 -5.514 1.00 0.00 C ATOM 1380 O PHE A 87 16.479 2.282 -5.207 1.00 0.00 O ATOM 1381 CB PHE A 87 16.298 5.332 -3.999 1.00 0.00 C ATOM 1382 CG PHE A 87 16.615 4.462 -2.806 1.00 0.00 C ATOM 1383 CD1 PHE A 87 15.699 3.492 -2.386 1.00 0.00 C ATOM 1384 CD2 PHE A 87 17.827 4.624 -2.122 1.00 0.00 C ATOM 1385 CE1 PHE A 87 15.993 2.683 -1.281 1.00 0.00 C ATOM 1386 CE2 PHE A 87 18.121 3.815 -1.018 1.00 0.00 C ATOM 1387 CZ PHE A 87 17.203 2.845 -0.598 1.00 0.00 C ATOM 0 H PHE A 87 15.867 6.268 -6.313 1.00 0.00 H new ATOM 0 HA PHE A 87 17.866 4.430 -5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 87 16.765 6.310 -3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 87 15.223 5.498 -4.066 1.00 0.00 H new ATOM 0 HD1 PHE A 87 14.765 3.367 -2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 87 18.534 5.373 -2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 87 15.286 1.934 -0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 87 19.055 3.939 -0.491 1.00 0.00 H new ATOM 0 HZ PHE A 87 17.429 2.221 0.254 1.00 0.00 H new ATOM 1397 N PHE A 88 14.848 3.483 -6.065 1.00 0.00 N ATOM 1398 CA PHE A 88 14.016 2.280 -6.340 1.00 0.00 C ATOM 1399 C PHE A 88 14.350 1.780 -7.745 1.00 0.00 C ATOM 1400 O PHE A 88 13.563 1.879 -8.665 1.00 0.00 O ATOM 1401 CB PHE A 88 12.523 2.659 -6.243 1.00 0.00 C ATOM 1402 CG PHE A 88 11.691 1.442 -5.872 1.00 0.00 C ATOM 1403 CD1 PHE A 88 11.501 0.408 -6.799 1.00 0.00 C ATOM 1404 CD2 PHE A 88 11.111 1.352 -4.598 1.00 0.00 C ATOM 1405 CE1 PHE A 88 10.733 -0.712 -6.453 1.00 0.00 C ATOM 1406 CE2 PHE A 88 10.345 0.231 -4.254 1.00 0.00 C ATOM 1407 CZ PHE A 88 10.156 -0.800 -5.181 1.00 0.00 C ATOM 0 H PHE A 88 14.424 4.369 -6.339 1.00 0.00 H new ATOM 0 HA PHE A 88 14.221 1.494 -5.613 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.388 3.442 -5.496 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.181 3.065 -7.195 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.947 0.474 -7.780 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.255 2.148 -3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.586 -1.508 -7.168 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.900 0.162 -3.272 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.565 -1.664 -4.915 1.00 0.00 H new ATOM 1464 N MET B 0 -3.277 7.565 4.290 1.00 0.00 N ATOM 1465 CA MET B 0 -2.490 8.210 5.379 1.00 0.00 C ATOM 1466 C MET B 0 -1.008 7.865 5.209 1.00 0.00 C ATOM 1467 O MET B 0 -0.626 6.712 5.209 1.00 0.00 O ATOM 1468 CB MET B 0 -2.986 7.700 6.735 1.00 0.00 C ATOM 1469 CG MET B 0 -2.314 8.489 7.861 1.00 0.00 C ATOM 1470 SD MET B 0 -2.997 7.962 9.454 1.00 0.00 S ATOM 1471 CE MET B 0 -1.908 8.946 10.514 1.00 0.00 C ATOM 0 H1 MET B 0 -4.284 7.799 4.404 1.00 0.00 H new ATOM 0 H2 MET B 0 -2.943 7.912 3.368 1.00 0.00 H new ATOM 0 H3 MET B 0 -3.153 6.533 4.337 1.00 0.00 H new ATOM 0 HA MET B 0 -2.617 9.292 5.331 1.00 0.00 H new ATOM 0 HB2 MET B 0 -4.069 7.806 6.800 1.00 0.00 H new ATOM 0 HB3 MET B 0 -2.763 6.638 6.839 1.00 0.00 H new ATOM 0 HG2 MET B 0 -1.237 8.325 7.842 1.00 0.00 H new ATOM 0 HG3 MET B 0 -2.476 9.557 7.719 1.00 0.00 H new ATOM 0 HE1 MET B 0 -2.161 8.769 11.559 1.00 0.00 H new ATOM 0 HE2 MET B 0 -0.872 8.658 10.338 1.00 0.00 H new ATOM 0 HE3 MET B 0 -2.035 10.004 10.284 1.00 0.00 H new ATOM 1483 N SER B 1 -0.171 8.854 5.062 1.00 0.00 N ATOM 1484 CA SER B 1 1.286 8.573 4.888 1.00 0.00 C ATOM 1485 C SER B 1 1.483 7.541 3.776 1.00 0.00 C ATOM 1486 O SER B 1 2.553 6.989 3.612 1.00 0.00 O ATOM 1487 CB SER B 1 1.858 8.027 6.198 1.00 0.00 C ATOM 1488 OG SER B 1 3.244 7.761 6.029 1.00 0.00 O ATOM 0 H SER B 1 -0.429 9.841 5.054 1.00 0.00 H new ATOM 0 HA SER B 1 1.802 9.495 4.620 1.00 0.00 H new ATOM 0 HB2 SER B 1 1.709 8.748 7.002 1.00 0.00 H new ATOM 0 HB3 SER B 1 1.333 7.116 6.486 1.00 0.00 H new ATOM 0 HG SER B 1 3.388 7.308 5.172 1.00 0.00 H new ATOM 1494 N GLU B 2 0.469 7.294 2.995 1.00 0.00 N ATOM 1495 CA GLU B 2 0.611 6.320 1.878 1.00 0.00 C ATOM 1496 C GLU B 2 1.402 6.970 0.758 1.00 0.00 C ATOM 1497 O GLU B 2 1.384 6.531 -0.371 1.00 0.00 O ATOM 1498 CB GLU B 2 -0.764 5.901 1.372 1.00 0.00 C ATOM 1499 CG GLU B 2 -1.399 5.019 2.432 1.00 0.00 C ATOM 1500 CD GLU B 2 -2.788 4.568 1.973 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -3.257 5.085 0.972 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -3.356 3.707 2.625 1.00 0.00 O ATOM 0 H GLU B 2 -0.452 7.724 3.082 1.00 0.00 H new ATOM 0 HA GLU B 2 1.135 5.431 2.230 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -1.384 6.777 1.182 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -0.676 5.362 0.429 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -0.769 4.150 2.619 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -1.477 5.565 3.372 1.00 0.00 H new ATOM 1509 N LEU B 3 2.081 8.028 1.067 1.00 0.00 N ATOM 1510 CA LEU B 3 2.867 8.736 0.032 1.00 0.00 C ATOM 1511 C LEU B 3 3.993 7.831 -0.471 1.00 0.00 C ATOM 1512 O LEU B 3 4.419 7.934 -1.597 1.00 0.00 O ATOM 1513 CB LEU B 3 3.457 10.025 0.647 1.00 0.00 C ATOM 1514 CG LEU B 3 3.445 11.167 -0.375 1.00 0.00 C ATOM 1515 CD1 LEU B 3 4.050 12.422 0.259 1.00 0.00 C ATOM 1516 CD2 LEU B 3 4.264 10.765 -1.605 1.00 0.00 C ATOM 0 H LEU B 3 2.126 8.437 2.000 1.00 0.00 H new ATOM 0 HA LEU B 3 2.224 8.994 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU B 3 2.880 10.311 1.527 1.00 0.00 H new ATOM 0 HB3 LEU B 3 4.478 9.840 0.981 1.00 0.00 H new ATOM 0 HG LEU B 3 2.419 11.372 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU B 3 4.043 13.236 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU B 3 3.463 12.708 1.132 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.076 12.217 0.564 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.254 11.578 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.292 10.558 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.830 9.872 -2.055 1.00 0.00 H new ATOM 1528 N GLU B 4 4.490 6.958 0.357 1.00 0.00 N ATOM 1529 CA GLU B 4 5.603 6.067 -0.098 1.00 0.00 C ATOM 1530 C GLU B 4 5.072 5.021 -1.077 1.00 0.00 C ATOM 1531 O GLU B 4 5.742 4.641 -2.015 1.00 0.00 O ATOM 1532 CB GLU B 4 6.257 5.379 1.108 1.00 0.00 C ATOM 1533 CG GLU B 4 7.432 4.510 0.641 1.00 0.00 C ATOM 1534 CD GLU B 4 8.087 3.846 1.854 1.00 0.00 C ATOM 1535 OE1 GLU B 4 7.676 4.146 2.963 1.00 0.00 O ATOM 1536 OE2 GLU B 4 8.992 3.052 1.654 1.00 0.00 O ATOM 0 H GLU B 4 4.182 6.820 1.319 1.00 0.00 H new ATOM 0 HA GLU B 4 6.354 6.674 -0.605 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.607 6.128 1.819 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.523 4.764 1.629 1.00 0.00 H new ATOM 0 HG2 GLU B 4 7.082 3.751 -0.058 1.00 0.00 H new ATOM 0 HG3 GLU B 4 8.161 5.121 0.109 1.00 0.00 H new ATOM 1543 N LYS B 5 3.883 4.540 -0.858 1.00 0.00 N ATOM 1544 CA LYS B 5 3.325 3.498 -1.779 1.00 0.00 C ATOM 1545 C LYS B 5 2.961 4.160 -3.105 1.00 0.00 C ATOM 1546 O LYS B 5 3.038 3.563 -4.156 1.00 0.00 O ATOM 1547 CB LYS B 5 2.064 2.816 -1.165 1.00 0.00 C ATOM 1548 CG LYS B 5 1.858 3.233 0.292 1.00 0.00 C ATOM 1549 CD LYS B 5 3.016 2.726 1.177 1.00 0.00 C ATOM 1550 CE LYS B 5 3.170 3.646 2.391 1.00 0.00 C ATOM 1551 NZ LYS B 5 4.352 3.221 3.194 1.00 0.00 N ATOM 0 H LYS B 5 3.272 4.816 -0.089 1.00 0.00 H new ATOM 0 HA LYS B 5 4.078 2.726 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS B 5 1.183 3.083 -1.749 1.00 0.00 H new ATOM 0 HB3 LYS B 5 2.169 1.733 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS B 5 1.793 4.319 0.358 1.00 0.00 H new ATOM 0 HG3 LYS B 5 0.912 2.834 0.659 1.00 0.00 H new ATOM 0 HD2 LYS B 5 2.818 1.705 1.504 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.943 2.704 0.604 1.00 0.00 H new ATOM 0 HE2 LYS B 5 3.292 4.679 2.064 1.00 0.00 H new ATOM 0 HE3 LYS B 5 2.269 3.610 3.004 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 4.692 4.023 3.762 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 4.080 2.440 3.825 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 5.109 2.903 2.556 1.00 0.00 H new ATOM 1565 N ALA B 6 2.530 5.380 -3.041 1.00 0.00 N ATOM 1566 CA ALA B 6 2.115 6.106 -4.265 1.00 0.00 C ATOM 1567 C ALA B 6 3.319 6.438 -5.147 1.00 0.00 C ATOM 1568 O ALA B 6 3.271 6.289 -6.348 1.00 0.00 O ATOM 1569 CB ALA B 6 1.412 7.388 -3.830 1.00 0.00 C ATOM 0 H ALA B 6 2.446 5.916 -2.177 1.00 0.00 H new ATOM 0 HA ALA B 6 1.446 5.479 -4.854 1.00 0.00 H new ATOM 0 HB1 ALA B 6 1.094 7.946 -4.711 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.541 7.138 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.098 7.998 -3.243 1.00 0.00 H new ATOM 1575 N MET B 7 4.393 6.886 -4.571 1.00 0.00 N ATOM 1576 CA MET B 7 5.587 7.223 -5.398 1.00 0.00 C ATOM 1577 C MET B 7 6.106 5.965 -6.079 1.00 0.00 C ATOM 1578 O MET B 7 6.514 5.976 -7.226 1.00 0.00 O ATOM 1579 CB MET B 7 6.688 7.803 -4.502 1.00 0.00 C ATOM 1580 CG MET B 7 6.284 9.192 -4.012 1.00 0.00 C ATOM 1581 SD MET B 7 7.699 9.971 -3.192 1.00 0.00 S ATOM 1582 CE MET B 7 7.326 11.684 -3.646 1.00 0.00 C ATOM 0 H MET B 7 4.500 7.035 -3.568 1.00 0.00 H new ATOM 0 HA MET B 7 5.305 7.958 -6.152 1.00 0.00 H new ATOM 0 HB2 MET B 7 6.861 7.144 -3.651 1.00 0.00 H new ATOM 0 HB3 MET B 7 7.625 7.862 -5.055 1.00 0.00 H new ATOM 0 HG2 MET B 7 5.953 9.804 -4.851 1.00 0.00 H new ATOM 0 HG3 MET B 7 5.444 9.117 -3.321 1.00 0.00 H new ATOM 0 HE1 MET B 7 7.667 12.352 -2.856 1.00 0.00 H new ATOM 0 HE2 MET B 7 7.836 11.933 -4.577 1.00 0.00 H new ATOM 0 HE3 MET B 7 6.250 11.799 -3.779 1.00 0.00 H new ATOM 1592 N VAL B 8 6.092 4.886 -5.369 1.00 0.00 N ATOM 1593 CA VAL B 8 6.586 3.603 -5.930 1.00 0.00 C ATOM 1594 C VAL B 8 5.666 3.152 -7.065 1.00 0.00 C ATOM 1595 O VAL B 8 6.104 2.597 -8.049 1.00 0.00 O ATOM 1596 CB VAL B 8 6.609 2.551 -4.818 1.00 0.00 C ATOM 1597 CG1 VAL B 8 6.903 1.170 -5.413 1.00 0.00 C ATOM 1598 CG2 VAL B 8 7.701 2.914 -3.805 1.00 0.00 C ATOM 0 H VAL B 8 5.755 4.832 -4.408 1.00 0.00 H new ATOM 0 HA VAL B 8 7.593 3.732 -6.326 1.00 0.00 H new ATOM 0 HB VAL B 8 5.638 2.526 -4.323 1.00 0.00 H new ATOM 0 HG11 VAL B 8 6.918 0.426 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL B 8 6.128 0.913 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL B 8 7.872 1.187 -5.911 1.00 0.00 H new ATOM 0 HG21 VAL B 8 7.722 2.168 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL B 8 8.669 2.938 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL B 8 7.489 3.894 -3.377 1.00 0.00 H new ATOM 1608 N ALA B 9 4.390 3.360 -6.910 1.00 0.00 N ATOM 1609 CA ALA B 9 3.412 2.922 -7.952 1.00 0.00 C ATOM 1610 C ALA B 9 3.576 3.716 -9.249 1.00 0.00 C ATOM 1611 O ALA B 9 3.466 3.170 -10.327 1.00 0.00 O ATOM 1612 CB ALA B 9 1.992 3.109 -7.430 1.00 0.00 C ATOM 0 H ALA B 9 3.975 3.819 -6.099 1.00 0.00 H new ATOM 0 HA ALA B 9 3.603 1.871 -8.167 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.280 2.789 -8.191 1.00 0.00 H new ATOM 0 HB2 ALA B 9 1.854 2.511 -6.529 1.00 0.00 H new ATOM 0 HB3 ALA B 9 1.826 4.161 -7.196 1.00 0.00 H new ATOM 1618 N LEU B 10 3.820 4.994 -9.177 1.00 0.00 N ATOM 1619 CA LEU B 10 3.958 5.769 -10.444 1.00 0.00 C ATOM 1620 C LEU B 10 5.110 5.179 -11.239 1.00 0.00 C ATOM 1621 O LEU B 10 5.053 5.042 -12.446 1.00 0.00 O ATOM 1622 CB LEU B 10 4.271 7.239 -10.143 1.00 0.00 C ATOM 1623 CG LEU B 10 3.127 7.892 -9.358 1.00 0.00 C ATOM 1624 CD1 LEU B 10 3.474 9.364 -9.117 1.00 0.00 C ATOM 1625 CD2 LEU B 10 1.812 7.794 -10.151 1.00 0.00 C ATOM 0 H LEU B 10 3.928 5.528 -8.315 1.00 0.00 H new ATOM 0 HA LEU B 10 3.025 5.714 -11.004 1.00 0.00 H new ATOM 0 HB2 LEU B 10 5.196 7.308 -9.571 1.00 0.00 H new ATOM 0 HB3 LEU B 10 4.432 7.779 -11.076 1.00 0.00 H new ATOM 0 HG LEU B 10 2.998 7.376 -8.407 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.668 9.841 -8.559 1.00 0.00 H new ATOM 0 HD12 LEU B 10 4.400 9.431 -8.546 1.00 0.00 H new ATOM 0 HD13 LEU B 10 3.601 9.869 -10.074 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.008 8.261 -9.582 1.00 0.00 H new ATOM 0 HD22 LEU B 10 1.925 8.305 -11.107 1.00 0.00 H new ATOM 0 HD23 LEU B 10 1.570 6.746 -10.326 1.00 0.00 H new ATOM 1637 N ILE B 11 6.152 4.825 -10.561 1.00 0.00 N ATOM 1638 CA ILE B 11 7.327 4.232 -11.240 1.00 0.00 C ATOM 1639 C ILE B 11 6.977 2.845 -11.804 1.00 0.00 C ATOM 1640 O ILE B 11 7.442 2.467 -12.860 1.00 0.00 O ATOM 1641 CB ILE B 11 8.488 4.147 -10.237 1.00 0.00 C ATOM 1642 CG1 ILE B 11 8.994 5.572 -9.950 1.00 0.00 C ATOM 1643 CG2 ILE B 11 9.619 3.294 -10.820 1.00 0.00 C ATOM 1644 CD1 ILE B 11 9.889 5.590 -8.705 1.00 0.00 C ATOM 0 H ILE B 11 6.244 4.922 -9.550 1.00 0.00 H new ATOM 0 HA ILE B 11 7.626 4.860 -12.079 1.00 0.00 H new ATOM 0 HB ILE B 11 8.147 3.683 -9.311 1.00 0.00 H new ATOM 0 HG12 ILE B 11 9.551 5.945 -10.809 1.00 0.00 H new ATOM 0 HG13 ILE B 11 8.146 6.242 -9.804 1.00 0.00 H new ATOM 0 HG21 ILE B 11 10.439 3.238 -10.104 1.00 0.00 H new ATOM 0 HG22 ILE B 11 9.248 2.290 -11.026 1.00 0.00 H new ATOM 0 HG23 ILE B 11 9.976 3.746 -11.745 1.00 0.00 H new ATOM 0 HD11 ILE B 11 10.235 6.607 -8.521 1.00 0.00 H new ATOM 0 HD12 ILE B 11 9.321 5.238 -7.844 1.00 0.00 H new ATOM 0 HD13 ILE B 11 10.747 4.938 -8.865 1.00 0.00 H new ATOM 1656 N ASP B 12 6.191 2.074 -11.100 1.00 0.00 N ATOM 1657 CA ASP B 12 5.846 0.703 -11.588 1.00 0.00 C ATOM 1658 C ASP B 12 5.132 0.749 -12.950 1.00 0.00 C ATOM 1659 O ASP B 12 5.458 0.003 -13.851 1.00 0.00 O ATOM 1660 CB ASP B 12 4.920 0.035 -10.568 1.00 0.00 C ATOM 1661 CG ASP B 12 4.592 -1.391 -11.019 1.00 0.00 C ATOM 1662 OD1 ASP B 12 4.917 -1.728 -12.146 1.00 0.00 O ATOM 1663 OD2 ASP B 12 4.021 -2.123 -10.227 1.00 0.00 O ATOM 0 H ASP B 12 5.772 2.333 -10.207 1.00 0.00 H new ATOM 0 HA ASP B 12 6.772 0.140 -11.706 1.00 0.00 H new ATOM 0 HB2 ASP B 12 5.397 0.015 -9.588 1.00 0.00 H new ATOM 0 HB3 ASP B 12 4.002 0.613 -10.464 1.00 0.00 H new ATOM 1668 N VAL B 13 4.144 1.587 -13.098 1.00 0.00 N ATOM 1669 CA VAL B 13 3.392 1.641 -14.396 1.00 0.00 C ATOM 1670 C VAL B 13 4.271 2.249 -15.507 1.00 0.00 C ATOM 1671 O VAL B 13 4.259 1.802 -16.645 1.00 0.00 O ATOM 1672 CB VAL B 13 2.079 2.456 -14.171 1.00 0.00 C ATOM 1673 CG1 VAL B 13 2.015 3.708 -15.059 1.00 0.00 C ATOM 1674 CG2 VAL B 13 0.846 1.583 -14.467 1.00 0.00 C ATOM 0 H VAL B 13 3.821 2.238 -12.382 1.00 0.00 H new ATOM 0 HA VAL B 13 3.129 0.636 -14.725 1.00 0.00 H new ATOM 0 HB VAL B 13 2.081 2.769 -13.127 1.00 0.00 H new ATOM 0 HG11 VAL B 13 1.085 4.243 -14.868 1.00 0.00 H new ATOM 0 HG12 VAL B 13 2.860 4.358 -14.833 1.00 0.00 H new ATOM 0 HG13 VAL B 13 2.055 3.413 -16.108 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -0.060 2.167 -14.305 1.00 0.00 H new ATOM 0 HG22 VAL B 13 0.880 1.245 -15.503 1.00 0.00 H new ATOM 0 HG23 VAL B 13 0.844 0.719 -13.803 1.00 0.00 H new ATOM 1684 N PHE B 14 5.027 3.259 -15.191 1.00 0.00 N ATOM 1685 CA PHE B 14 5.888 3.887 -16.226 1.00 0.00 C ATOM 1686 C PHE B 14 6.829 2.833 -16.792 1.00 0.00 C ATOM 1687 O PHE B 14 7.138 2.835 -17.958 1.00 0.00 O ATOM 1688 CB PHE B 14 6.699 5.026 -15.604 1.00 0.00 C ATOM 1689 CG PHE B 14 7.668 5.579 -16.626 1.00 0.00 C ATOM 1690 CD1 PHE B 14 7.261 6.582 -17.513 1.00 0.00 C ATOM 1691 CD2 PHE B 14 8.981 5.091 -16.680 1.00 0.00 C ATOM 1692 CE1 PHE B 14 8.162 7.096 -18.453 1.00 0.00 C ATOM 1693 CE2 PHE B 14 9.881 5.604 -17.620 1.00 0.00 C ATOM 1694 CZ PHE B 14 9.472 6.606 -18.507 1.00 0.00 C ATOM 0 H PHE B 14 5.086 3.676 -14.262 1.00 0.00 H new ATOM 0 HA PHE B 14 5.267 4.292 -17.025 1.00 0.00 H new ATOM 0 HB2 PHE B 14 6.031 5.815 -15.258 1.00 0.00 H new ATOM 0 HB3 PHE B 14 7.243 4.664 -14.732 1.00 0.00 H new ATOM 0 HD1 PHE B 14 6.250 6.960 -17.472 1.00 0.00 H new ATOM 0 HD2 PHE B 14 9.298 4.318 -15.995 1.00 0.00 H new ATOM 0 HE1 PHE B 14 7.846 7.870 -19.136 1.00 0.00 H new ATOM 0 HE2 PHE B 14 10.892 5.227 -17.661 1.00 0.00 H new ATOM 0 HZ PHE B 14 10.167 7.001 -19.233 1.00 0.00 H new ATOM 1704 N HIS B 15 7.292 1.940 -15.972 1.00 0.00 N ATOM 1705 CA HIS B 15 8.218 0.883 -16.459 1.00 0.00 C ATOM 1706 C HIS B 15 7.473 -0.107 -17.364 1.00 0.00 C ATOM 1707 O HIS B 15 8.065 -0.734 -18.218 1.00 0.00 O ATOM 1708 CB HIS B 15 8.795 0.141 -15.254 1.00 0.00 C ATOM 1709 CG HIS B 15 9.874 -0.806 -15.698 1.00 0.00 C ATOM 1710 ND1 HIS B 15 10.988 -0.381 -16.409 1.00 0.00 N ATOM 1711 CD2 HIS B 15 10.036 -2.157 -15.517 1.00 0.00 C ATOM 1712 CE1 HIS B 15 11.765 -1.459 -16.626 1.00 0.00 C ATOM 1713 NE2 HIS B 15 11.229 -2.563 -16.104 1.00 0.00 N ATOM 0 H HIS B 15 7.069 1.894 -14.978 1.00 0.00 H new ATOM 0 HA HIS B 15 9.020 1.344 -17.036 1.00 0.00 H new ATOM 0 HB2 HIS B 15 9.200 0.855 -14.537 1.00 0.00 H new ATOM 0 HB3 HIS B 15 8.005 -0.410 -14.744 1.00 0.00 H new ATOM 0 HD2 HIS B 15 9.344 -2.804 -14.999 1.00 0.00 H new ATOM 0 HE1 HIS B 15 12.705 -1.433 -17.157 1.00 0.00 H new ATOM 0 HE2 HIS B 15 11.614 -3.507 -16.130 1.00 0.00 H new ATOM 1722 N GLN B 16 6.190 -0.278 -17.181 1.00 0.00 N ATOM 1723 CA GLN B 16 5.455 -1.251 -18.036 1.00 0.00 C ATOM 1724 C GLN B 16 5.564 -0.848 -19.514 1.00 0.00 C ATOM 1725 O GLN B 16 5.748 -1.685 -20.376 1.00 0.00 O ATOM 1726 CB GLN B 16 3.983 -1.269 -17.617 1.00 0.00 C ATOM 1727 CG GLN B 16 3.855 -1.892 -16.224 1.00 0.00 C ATOM 1728 CD GLN B 16 4.160 -3.389 -16.301 1.00 0.00 C ATOM 1729 OE1 GLN B 16 3.650 -4.081 -17.159 1.00 0.00 O ATOM 1730 NE2 GLN B 16 4.975 -3.923 -15.432 1.00 0.00 N ATOM 0 H GLN B 16 5.626 0.209 -16.484 1.00 0.00 H new ATOM 0 HA GLN B 16 5.891 -2.242 -17.910 1.00 0.00 H new ATOM 0 HB2 GLN B 16 3.583 -0.255 -17.611 1.00 0.00 H new ATOM 0 HB3 GLN B 16 3.396 -1.839 -18.337 1.00 0.00 H new ATOM 0 HG2 GLN B 16 4.543 -1.406 -15.533 1.00 0.00 H new ATOM 0 HG3 GLN B 16 2.849 -1.735 -15.836 1.00 0.00 H new ATOM 0 HE21 GLN B 16 5.404 -3.343 -14.711 1.00 0.00 H new ATOM 0 HE22 GLN B 16 5.183 -4.921 -15.474 1.00 0.00 H new ATOM 1739 N TYR B 17 5.432 0.420 -19.827 1.00 0.00 N ATOM 1740 CA TYR B 17 5.511 0.845 -21.273 1.00 0.00 C ATOM 1741 C TYR B 17 6.934 1.250 -21.681 1.00 0.00 C ATOM 1742 O TYR B 17 7.365 0.991 -22.788 1.00 0.00 O ATOM 1743 CB TYR B 17 4.566 2.026 -21.491 1.00 0.00 C ATOM 1744 CG TYR B 17 3.151 1.511 -21.452 1.00 0.00 C ATOM 1745 CD1 TYR B 17 2.543 1.260 -20.221 1.00 0.00 C ATOM 1746 CD2 TYR B 17 2.463 1.252 -22.643 1.00 0.00 C ATOM 1747 CE1 TYR B 17 1.245 0.755 -20.176 1.00 0.00 C ATOM 1748 CE2 TYR B 17 1.163 0.741 -22.600 1.00 0.00 C ATOM 1749 CZ TYR B 17 0.551 0.491 -21.366 1.00 0.00 C ATOM 1750 OH TYR B 17 -0.732 -0.013 -21.323 1.00 0.00 O ATOM 0 H TYR B 17 5.275 1.174 -19.158 1.00 0.00 H new ATOM 0 HA TYR B 17 5.222 -0.005 -21.892 1.00 0.00 H new ATOM 0 HB2 TYR B 17 4.717 2.781 -20.719 1.00 0.00 H new ATOM 0 HB3 TYR B 17 4.770 2.504 -22.449 1.00 0.00 H new ATOM 0 HD1 TYR B 17 3.078 1.457 -19.304 1.00 0.00 H new ATOM 0 HD2 TYR B 17 2.936 1.447 -23.594 1.00 0.00 H new ATOM 0 HE1 TYR B 17 0.773 0.567 -19.223 1.00 0.00 H new ATOM 0 HE2 TYR B 17 0.631 0.539 -23.518 1.00 0.00 H new ATOM 0 HH TYR B 17 -0.903 -0.397 -20.438 1.00 0.00 H new ATOM 1760 N SER B 18 7.655 1.896 -20.817 1.00 0.00 N ATOM 1761 CA SER B 18 9.038 2.341 -21.170 1.00 0.00 C ATOM 1762 C SER B 18 9.910 1.133 -21.520 1.00 0.00 C ATOM 1763 O SER B 18 10.714 1.179 -22.430 1.00 0.00 O ATOM 1764 CB SER B 18 9.654 3.076 -19.978 1.00 0.00 C ATOM 1765 OG SER B 18 8.994 4.321 -19.798 1.00 0.00 O ATOM 0 H SER B 18 7.350 2.140 -19.875 1.00 0.00 H new ATOM 0 HA SER B 18 8.986 3.006 -22.032 1.00 0.00 H new ATOM 0 HB2 SER B 18 9.563 2.470 -19.077 1.00 0.00 H new ATOM 0 HB3 SER B 18 10.719 3.238 -20.147 1.00 0.00 H new ATOM 0 HG SER B 18 9.603 4.955 -19.365 1.00 0.00 H new ATOM 1771 N GLY B 19 9.768 0.060 -20.799 1.00 0.00 N ATOM 1772 CA GLY B 19 10.600 -1.145 -21.085 1.00 0.00 C ATOM 1773 C GLY B 19 10.023 -1.911 -22.279 1.00 0.00 C ATOM 1774 O GLY B 19 10.626 -2.843 -22.774 1.00 0.00 O ATOM 0 H GLY B 19 9.113 -0.038 -20.023 1.00 0.00 H new ATOM 0 HA2 GLY B 19 11.627 -0.846 -21.297 1.00 0.00 H new ATOM 0 HA3 GLY B 19 10.631 -1.792 -20.208 1.00 0.00 H new ATOM 1778 N ARG B 20 8.866 -1.533 -22.751 1.00 0.00 N ATOM 1779 CA ARG B 20 8.276 -2.254 -23.915 1.00 0.00 C ATOM 1780 C ARG B 20 9.230 -2.145 -25.104 1.00 0.00 C ATOM 1781 O ARG B 20 9.522 -3.117 -25.772 1.00 0.00 O ATOM 1782 CB ARG B 20 6.934 -1.619 -24.287 1.00 0.00 C ATOM 1783 CG ARG B 20 6.316 -2.375 -25.465 1.00 0.00 C ATOM 1784 CD ARG B 20 4.981 -1.734 -25.828 1.00 0.00 C ATOM 1785 NE ARG B 20 4.322 -2.524 -26.904 1.00 0.00 N ATOM 1786 CZ ARG B 20 3.047 -2.377 -27.132 1.00 0.00 C ATOM 1787 NH1 ARG B 20 2.344 -1.554 -26.404 1.00 0.00 N ATOM 1788 NH2 ARG B 20 2.473 -3.061 -28.083 1.00 0.00 N ATOM 0 H ARG B 20 8.307 -0.762 -22.384 1.00 0.00 H new ATOM 0 HA ARG B 20 8.121 -3.301 -23.655 1.00 0.00 H new ATOM 0 HB2 ARG B 20 6.259 -1.644 -23.432 1.00 0.00 H new ATOM 0 HB3 ARG B 20 7.077 -0.571 -24.550 1.00 0.00 H new ATOM 0 HG2 ARG B 20 6.989 -2.351 -26.322 1.00 0.00 H new ATOM 0 HG3 ARG B 20 6.171 -3.423 -25.204 1.00 0.00 H new ATOM 0 HD2 ARG B 20 4.337 -1.690 -24.950 1.00 0.00 H new ATOM 0 HD3 ARG B 20 5.138 -0.708 -26.161 1.00 0.00 H new ATOM 0 HE ARG B 20 4.868 -3.180 -27.463 1.00 0.00 H new ATOM 0 HH11 ARG B 20 2.792 -1.025 -25.656 1.00 0.00 H new ATOM 0 HH12 ARG B 20 1.346 -1.439 -26.583 1.00 0.00 H new ATOM 0 HH21 ARG B 20 3.022 -3.710 -28.647 1.00 0.00 H new ATOM 0 HH22 ARG B 20 1.475 -2.947 -28.262 1.00 0.00 H new ATOM 1802 N GLU B 21 9.708 -0.957 -25.372 1.00 0.00 N ATOM 1803 CA GLU B 21 10.642 -0.739 -26.520 1.00 0.00 C ATOM 1804 C GLU B 21 12.007 -0.308 -25.980 1.00 0.00 C ATOM 1805 O GLU B 21 12.131 0.134 -24.854 1.00 0.00 O ATOM 1806 CB GLU B 21 10.072 0.356 -27.424 1.00 0.00 C ATOM 1807 CG GLU B 21 8.740 -0.114 -28.014 1.00 0.00 C ATOM 1808 CD GLU B 21 8.159 0.982 -28.909 1.00 0.00 C ATOM 1809 OE1 GLU B 21 8.748 2.049 -28.963 1.00 0.00 O ATOM 1810 OE2 GLU B 21 7.129 0.740 -29.516 1.00 0.00 O ATOM 0 H GLU B 21 9.488 -0.117 -24.837 1.00 0.00 H new ATOM 0 HA GLU B 21 10.755 -1.660 -27.092 1.00 0.00 H new ATOM 0 HB2 GLU B 21 9.926 1.274 -26.854 1.00 0.00 H new ATOM 0 HB3 GLU B 21 10.776 0.586 -28.224 1.00 0.00 H new ATOM 0 HG2 GLU B 21 8.888 -1.027 -28.590 1.00 0.00 H new ATOM 0 HG3 GLU B 21 8.040 -0.352 -27.213 1.00 0.00 H new ATOM 1817 N GLY B 22 13.033 -0.457 -26.770 1.00 0.00 N ATOM 1818 CA GLY B 22 14.405 -0.085 -26.316 1.00 0.00 C ATOM 1819 C GLY B 22 14.398 1.264 -25.592 1.00 0.00 C ATOM 1820 O GLY B 22 15.350 1.616 -24.925 1.00 0.00 O ATOM 0 H GLY B 22 12.981 -0.824 -27.720 1.00 0.00 H new ATOM 0 HA2 GLY B 22 14.793 -0.856 -25.651 1.00 0.00 H new ATOM 0 HA3 GLY B 22 15.075 -0.037 -27.174 1.00 0.00 H new ATOM 1824 N ASP B 23 13.353 2.035 -25.718 1.00 0.00 N ATOM 1825 CA ASP B 23 13.335 3.355 -25.037 1.00 0.00 C ATOM 1826 C ASP B 23 13.106 3.161 -23.531 1.00 0.00 C ATOM 1827 O ASP B 23 12.167 3.678 -22.963 1.00 0.00 O ATOM 1828 CB ASP B 23 12.207 4.201 -25.633 1.00 0.00 C ATOM 1829 CG ASP B 23 12.067 3.886 -27.123 1.00 0.00 C ATOM 1830 OD1 ASP B 23 13.046 4.038 -27.835 1.00 0.00 O ATOM 1831 OD2 ASP B 23 10.985 3.493 -27.526 1.00 0.00 O ATOM 0 H ASP B 23 12.518 1.809 -26.259 1.00 0.00 H new ATOM 0 HA ASP B 23 14.290 3.860 -25.182 1.00 0.00 H new ATOM 0 HB2 ASP B 23 11.270 3.993 -25.117 1.00 0.00 H new ATOM 0 HB3 ASP B 23 12.420 5.261 -25.493 1.00 0.00 H new ATOM 1836 N LYS B 24 13.957 2.422 -22.879 1.00 0.00 N ATOM 1837 CA LYS B 24 13.784 2.209 -21.414 1.00 0.00 C ATOM 1838 C LYS B 24 14.050 3.522 -20.672 1.00 0.00 C ATOM 1839 O LYS B 24 13.320 3.906 -19.781 1.00 0.00 O ATOM 1840 CB LYS B 24 14.798 1.167 -20.945 1.00 0.00 C ATOM 1841 CG LYS B 24 14.517 0.768 -19.488 1.00 0.00 C ATOM 1842 CD LYS B 24 15.772 0.136 -18.872 1.00 0.00 C ATOM 1843 CE LYS B 24 16.320 -0.964 -19.792 1.00 0.00 C ATOM 1844 NZ LYS B 24 17.219 -0.360 -20.814 1.00 0.00 N ATOM 0 H LYS B 24 14.764 1.956 -23.295 1.00 0.00 H new ATOM 0 HA LYS B 24 12.768 1.870 -21.210 1.00 0.00 H new ATOM 0 HB2 LYS B 24 14.748 0.287 -21.586 1.00 0.00 H new ATOM 0 HB3 LYS B 24 15.808 1.568 -21.031 1.00 0.00 H new ATOM 0 HG2 LYS B 24 14.220 1.644 -18.912 1.00 0.00 H new ATOM 0 HG3 LYS B 24 13.686 0.063 -19.448 1.00 0.00 H new ATOM 0 HD2 LYS B 24 16.533 0.901 -18.715 1.00 0.00 H new ATOM 0 HD3 LYS B 24 15.534 -0.283 -17.894 1.00 0.00 H new ATOM 0 HE2 LYS B 24 16.865 -1.704 -19.206 1.00 0.00 H new ATOM 0 HE3 LYS B 24 15.497 -1.487 -20.280 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 18.060 -0.960 -20.935 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 16.714 -0.285 -21.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 17.513 0.588 -20.502 1.00 0.00 H new ATOM 1858 N HIS B 25 15.113 4.191 -21.021 1.00 0.00 N ATOM 1859 CA HIS B 25 15.470 5.468 -20.328 1.00 0.00 C ATOM 1860 C HIS B 25 14.622 6.643 -20.844 1.00 0.00 C ATOM 1861 O HIS B 25 14.508 7.656 -20.184 1.00 0.00 O ATOM 1862 CB HIS B 25 16.952 5.771 -20.567 1.00 0.00 C ATOM 1863 CG HIS B 25 17.333 7.019 -19.819 1.00 0.00 C ATOM 1864 ND1 HIS B 25 17.418 8.256 -20.441 1.00 0.00 N ATOM 1865 CD2 HIS B 25 17.647 7.239 -18.500 1.00 0.00 C ATOM 1866 CE1 HIS B 25 17.767 9.158 -19.504 1.00 0.00 C ATOM 1867 NE2 HIS B 25 17.918 8.588 -18.308 1.00 0.00 N ATOM 0 H HIS B 25 15.756 3.909 -21.761 1.00 0.00 H new ATOM 0 HA HIS B 25 15.272 5.347 -19.263 1.00 0.00 H new ATOM 0 HB2 HIS B 25 17.564 4.933 -20.234 1.00 0.00 H new ATOM 0 HB3 HIS B 25 17.141 5.900 -21.633 1.00 0.00 H new ATOM 0 HD2 HIS B 25 17.678 6.481 -17.731 1.00 0.00 H new ATOM 0 HE1 HIS B 25 17.907 10.211 -19.697 1.00 0.00 H new ATOM 0 HE2 HIS B 25 18.178 9.047 -17.435 1.00 0.00 H new ATOM 1876 N LYS B 26 14.034 6.530 -22.012 1.00 0.00 N ATOM 1877 CA LYS B 26 13.203 7.659 -22.560 1.00 0.00 C ATOM 1878 C LYS B 26 11.892 7.097 -23.114 1.00 0.00 C ATOM 1879 O LYS B 26 11.781 5.927 -23.397 1.00 0.00 O ATOM 1880 CB LYS B 26 13.987 8.380 -23.669 1.00 0.00 C ATOM 1881 CG LYS B 26 14.102 7.481 -24.901 1.00 0.00 C ATOM 1882 CD LYS B 26 15.115 8.080 -25.883 1.00 0.00 C ATOM 1883 CE LYS B 26 15.088 7.291 -27.195 1.00 0.00 C ATOM 1884 NZ LYS B 26 13.773 7.488 -27.871 1.00 0.00 N ATOM 0 H LYS B 26 14.091 5.707 -22.612 1.00 0.00 H new ATOM 0 HA LYS B 26 12.977 8.373 -21.768 1.00 0.00 H new ATOM 0 HB2 LYS B 26 13.485 9.311 -23.934 1.00 0.00 H new ATOM 0 HB3 LYS B 26 14.981 8.645 -23.309 1.00 0.00 H new ATOM 0 HG2 LYS B 26 14.416 6.480 -24.605 1.00 0.00 H new ATOM 0 HG3 LYS B 26 13.129 7.381 -25.382 1.00 0.00 H new ATOM 0 HD2 LYS B 26 14.878 9.127 -26.072 1.00 0.00 H new ATOM 0 HD3 LYS B 26 16.115 8.052 -25.451 1.00 0.00 H new ATOM 0 HE2 LYS B 26 15.896 7.622 -27.847 1.00 0.00 H new ATOM 0 HE3 LYS B 26 15.251 6.232 -26.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 13.906 7.469 -28.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 13.122 6.727 -27.592 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 13.373 8.406 -27.591 1.00 0.00 H new ATOM 1898 N LEU B 27 10.891 7.928 -23.243 1.00 0.00 N ATOM 1899 CA LEU B 27 9.559 7.467 -23.754 1.00 0.00 C ATOM 1900 C LEU B 27 9.222 8.245 -25.032 1.00 0.00 C ATOM 1901 O LEU B 27 9.328 9.451 -25.063 1.00 0.00 O ATOM 1902 CB LEU B 27 8.513 7.762 -22.670 1.00 0.00 C ATOM 1903 CG LEU B 27 7.157 7.126 -23.019 1.00 0.00 C ATOM 1904 CD1 LEU B 27 7.168 5.624 -22.695 1.00 0.00 C ATOM 1905 CD2 LEU B 27 6.061 7.803 -22.188 1.00 0.00 C ATOM 0 H LEU B 27 10.938 8.921 -23.014 1.00 0.00 H new ATOM 0 HA LEU B 27 9.573 6.401 -23.980 1.00 0.00 H new ATOM 0 HB2 LEU B 27 8.861 7.379 -21.711 1.00 0.00 H new ATOM 0 HB3 LEU B 27 8.394 8.840 -22.559 1.00 0.00 H new ATOM 0 HG LEU B 27 6.968 7.259 -24.084 1.00 0.00 H new ATOM 0 HD11 LEU B 27 6.201 5.190 -22.948 1.00 0.00 H new ATOM 0 HD12 LEU B 27 7.949 5.132 -23.275 1.00 0.00 H new ATOM 0 HD13 LEU B 27 7.362 5.483 -21.632 1.00 0.00 H new ATOM 0 HD21 LEU B 27 5.095 7.359 -22.429 1.00 0.00 H new ATOM 0 HD22 LEU B 27 6.270 7.664 -21.127 1.00 0.00 H new ATOM 0 HD23 LEU B 27 6.037 8.869 -22.416 1.00 0.00 H new ATOM 1917 N LYS B 28 8.830 7.579 -26.096 1.00 0.00 N ATOM 1918 CA LYS B 28 8.505 8.315 -27.359 1.00 0.00 C ATOM 1919 C LYS B 28 7.009 8.620 -27.422 1.00 0.00 C ATOM 1920 O LYS B 28 6.197 7.907 -26.867 1.00 0.00 O ATOM 1921 CB LYS B 28 8.876 7.451 -28.570 1.00 0.00 C ATOM 1922 CG LYS B 28 10.386 7.215 -28.593 1.00 0.00 C ATOM 1923 CD LYS B 28 10.815 6.725 -29.982 1.00 0.00 C ATOM 1924 CE LYS B 28 10.185 5.362 -30.264 1.00 0.00 C ATOM 1925 NZ LYS B 28 10.871 4.728 -31.427 1.00 0.00 N ATOM 0 H LYS B 28 8.722 6.566 -26.143 1.00 0.00 H new ATOM 0 HA LYS B 28 9.071 9.246 -27.372 1.00 0.00 H new ATOM 0 HB2 LYS B 28 8.350 6.497 -28.523 1.00 0.00 H new ATOM 0 HB3 LYS B 28 8.561 7.944 -29.490 1.00 0.00 H new ATOM 0 HG2 LYS B 28 10.911 8.137 -28.345 1.00 0.00 H new ATOM 0 HG3 LYS B 28 10.660 6.479 -27.837 1.00 0.00 H new ATOM 0 HD2 LYS B 28 10.508 7.443 -30.742 1.00 0.00 H new ATOM 0 HD3 LYS B 28 11.901 6.652 -30.033 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.269 4.722 -29.386 1.00 0.00 H new ATOM 0 HE3 LYS B 28 9.122 5.477 -30.474 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 10.442 3.800 -31.619 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 10.769 5.337 -32.264 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 11.880 4.605 -31.210 1.00 0.00 H new ATOM 1939 N LYS B 29 6.635 9.663 -28.122 1.00 0.00 N ATOM 1940 CA LYS B 29 5.190 9.996 -28.251 1.00 0.00 C ATOM 1941 C LYS B 29 4.452 8.734 -28.671 1.00 0.00 C ATOM 1942 O LYS B 29 3.262 8.589 -28.476 1.00 0.00 O ATOM 1943 CB LYS B 29 5.001 11.077 -29.330 1.00 0.00 C ATOM 1944 CG LYS B 29 5.291 10.505 -30.726 1.00 0.00 C ATOM 1945 CD LYS B 29 5.326 11.645 -31.747 1.00 0.00 C ATOM 1946 CE LYS B 29 5.365 11.064 -33.161 1.00 0.00 C ATOM 1947 NZ LYS B 29 5.541 12.167 -34.147 1.00 0.00 N ATOM 0 H LYS B 29 7.271 10.295 -28.608 1.00 0.00 H new ATOM 0 HA LYS B 29 4.804 10.370 -27.303 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.981 11.461 -29.293 1.00 0.00 H new ATOM 0 HB3 LYS B 29 5.666 11.918 -29.130 1.00 0.00 H new ATOM 0 HG2 LYS B 29 6.244 9.976 -30.723 1.00 0.00 H new ATOM 0 HG3 LYS B 29 4.524 9.780 -31.000 1.00 0.00 H new ATOM 0 HD2 LYS B 29 4.449 12.281 -31.628 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.200 12.273 -31.576 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.183 10.349 -33.249 1.00 0.00 H new ATOM 0 HE3 LYS B 29 4.443 10.521 -33.368 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 5.568 11.772 -35.109 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 4.746 12.833 -34.068 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 6.432 12.667 -33.953 1.00 0.00 H new ATOM 1961 N SER B 30 5.173 7.827 -29.256 1.00 0.00 N ATOM 1962 CA SER B 30 4.552 6.553 -29.713 1.00 0.00 C ATOM 1963 C SER B 30 4.286 5.669 -28.499 1.00 0.00 C ATOM 1964 O SER B 30 3.177 5.231 -28.264 1.00 0.00 O ATOM 1965 CB SER B 30 5.504 5.843 -30.675 1.00 0.00 C ATOM 1966 OG SER B 30 4.917 4.620 -31.097 1.00 0.00 O ATOM 0 H SER B 30 6.173 7.911 -29.440 1.00 0.00 H new ATOM 0 HA SER B 30 3.613 6.758 -30.227 1.00 0.00 H new ATOM 0 HB2 SER B 30 5.709 6.478 -31.537 1.00 0.00 H new ATOM 0 HB3 SER B 30 6.459 5.652 -30.185 1.00 0.00 H new ATOM 0 HG SER B 30 5.524 4.162 -31.715 1.00 0.00 H new ATOM 1972 N GLU B 31 5.296 5.425 -27.714 1.00 0.00 N ATOM 1973 CA GLU B 31 5.115 4.594 -26.496 1.00 0.00 C ATOM 1974 C GLU B 31 4.092 5.278 -25.599 1.00 0.00 C ATOM 1975 O GLU B 31 3.278 4.646 -24.959 1.00 0.00 O ATOM 1976 CB GLU B 31 6.447 4.489 -25.762 1.00 0.00 C ATOM 1977 CG GLU B 31 7.423 3.684 -26.614 1.00 0.00 C ATOM 1978 CD GLU B 31 8.818 3.797 -26.013 1.00 0.00 C ATOM 1979 OE1 GLU B 31 9.464 4.800 -26.271 1.00 0.00 O ATOM 1980 OE2 GLU B 31 9.215 2.887 -25.304 1.00 0.00 O ATOM 0 H GLU B 31 6.244 5.768 -27.866 1.00 0.00 H new ATOM 0 HA GLU B 31 4.771 3.595 -26.763 1.00 0.00 H new ATOM 0 HB2 GLU B 31 6.849 5.483 -25.568 1.00 0.00 H new ATOM 0 HB3 GLU B 31 6.306 4.007 -24.794 1.00 0.00 H new ATOM 0 HG2 GLU B 31 7.114 2.639 -26.654 1.00 0.00 H new ATOM 0 HG3 GLU B 31 7.423 4.056 -27.639 1.00 0.00 H new ATOM 1987 N LEU B 32 4.143 6.579 -25.550 1.00 0.00 N ATOM 1988 CA LEU B 32 3.196 7.345 -24.701 1.00 0.00 C ATOM 1989 C LEU B 32 1.764 7.064 -25.143 1.00 0.00 C ATOM 1990 O LEU B 32 0.887 6.905 -24.330 1.00 0.00 O ATOM 1991 CB LEU B 32 3.503 8.837 -24.856 1.00 0.00 C ATOM 1992 CG LEU B 32 2.499 9.688 -24.069 1.00 0.00 C ATOM 1993 CD1 LEU B 32 2.487 9.267 -22.593 1.00 0.00 C ATOM 1994 CD2 LEU B 32 2.909 11.163 -24.183 1.00 0.00 C ATOM 0 H LEU B 32 4.810 7.150 -26.070 1.00 0.00 H new ATOM 0 HA LEU B 32 3.305 7.048 -23.658 1.00 0.00 H new ATOM 0 HB2 LEU B 32 4.514 9.043 -24.504 1.00 0.00 H new ATOM 0 HB3 LEU B 32 3.470 9.111 -25.910 1.00 0.00 H new ATOM 0 HG LEU B 32 1.499 9.544 -24.478 1.00 0.00 H new ATOM 0 HD11 LEU B 32 1.770 9.879 -22.046 1.00 0.00 H new ATOM 0 HD12 LEU B 32 2.202 8.218 -22.516 1.00 0.00 H new ATOM 0 HD13 LEU B 32 3.481 9.405 -22.167 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.203 11.781 -23.628 1.00 0.00 H new ATOM 0 HD22 LEU B 32 3.909 11.295 -23.771 1.00 0.00 H new ATOM 0 HD23 LEU B 32 2.906 11.462 -25.231 1.00 0.00 H new ATOM 2006 N LYS B 33 1.517 7.012 -26.420 1.00 0.00 N ATOM 2007 CA LYS B 33 0.126 6.745 -26.898 1.00 0.00 C ATOM 2008 C LYS B 33 -0.354 5.381 -26.405 1.00 0.00 C ATOM 2009 O LYS B 33 -1.497 5.214 -26.030 1.00 0.00 O ATOM 2010 CB LYS B 33 0.087 6.763 -28.429 1.00 0.00 C ATOM 2011 CG LYS B 33 -1.356 6.559 -28.905 1.00 0.00 C ATOM 2012 CD LYS B 33 -1.403 6.610 -30.432 1.00 0.00 C ATOM 2013 CE LYS B 33 -2.857 6.558 -30.909 1.00 0.00 C ATOM 2014 NZ LYS B 33 -2.924 7.016 -32.325 1.00 0.00 N ATOM 0 H LYS B 33 2.213 7.142 -27.155 1.00 0.00 H new ATOM 0 HA LYS B 33 -0.528 7.522 -26.503 1.00 0.00 H new ATOM 0 HB2 LYS B 33 0.474 7.711 -28.802 1.00 0.00 H new ATOM 0 HB3 LYS B 33 0.728 5.977 -28.829 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -1.734 5.600 -28.551 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -2.001 7.331 -28.485 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -0.926 7.523 -30.789 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -0.843 5.773 -30.850 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -3.244 5.543 -30.824 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -3.482 7.191 -30.279 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -3.750 7.636 -32.451 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -2.058 7.541 -32.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -3.011 6.191 -32.953 1.00 0.00 H new ATOM 2028 N GLU B 34 0.500 4.400 -26.416 1.00 0.00 N ATOM 2029 CA GLU B 34 0.077 3.051 -25.965 1.00 0.00 C ATOM 2030 C GLU B 34 -0.263 3.104 -24.482 1.00 0.00 C ATOM 2031 O GLU B 34 -1.180 2.461 -24.026 1.00 0.00 O ATOM 2032 CB GLU B 34 1.195 2.031 -26.238 1.00 0.00 C ATOM 2033 CG GLU B 34 1.275 1.719 -27.743 1.00 0.00 C ATOM 2034 CD GLU B 34 2.027 2.833 -28.472 1.00 0.00 C ATOM 2035 OE1 GLU B 34 3.242 2.863 -28.373 1.00 0.00 O ATOM 2036 OE2 GLU B 34 1.376 3.626 -29.131 1.00 0.00 O ATOM 0 H GLU B 34 1.472 4.475 -26.718 1.00 0.00 H new ATOM 0 HA GLU B 34 -0.808 2.736 -26.518 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.150 2.425 -25.890 1.00 0.00 H new ATOM 0 HB3 GLU B 34 1.006 1.115 -25.679 1.00 0.00 H new ATOM 0 HG2 GLU B 34 1.781 0.766 -27.898 1.00 0.00 H new ATOM 0 HG3 GLU B 34 0.271 1.617 -28.155 1.00 0.00 H new ATOM 2043 N LEU B 35 0.458 3.865 -23.722 1.00 0.00 N ATOM 2044 CA LEU B 35 0.143 3.958 -22.275 1.00 0.00 C ATOM 2045 C LEU B 35 -1.230 4.595 -22.084 1.00 0.00 C ATOM 2046 O LEU B 35 -2.065 4.103 -21.357 1.00 0.00 O ATOM 2047 CB LEU B 35 1.199 4.830 -21.586 1.00 0.00 C ATOM 2048 CG LEU B 35 0.799 5.101 -20.105 1.00 0.00 C ATOM 2049 CD1 LEU B 35 2.051 5.126 -19.220 1.00 0.00 C ATOM 2050 CD2 LEU B 35 0.073 6.460 -19.967 1.00 0.00 C ATOM 0 H LEU B 35 1.250 4.426 -24.036 1.00 0.00 H new ATOM 0 HA LEU B 35 0.142 2.958 -21.841 1.00 0.00 H new ATOM 0 HB2 LEU B 35 2.169 4.334 -21.622 1.00 0.00 H new ATOM 0 HB3 LEU B 35 1.304 5.775 -22.120 1.00 0.00 H new ATOM 0 HG LEU B 35 0.129 4.301 -19.790 1.00 0.00 H new ATOM 0 HD11 LEU B 35 1.762 5.316 -18.186 1.00 0.00 H new ATOM 0 HD12 LEU B 35 2.561 4.165 -19.283 1.00 0.00 H new ATOM 0 HD13 LEU B 35 2.721 5.915 -19.560 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -0.195 6.625 -18.923 1.00 0.00 H new ATOM 0 HD22 LEU B 35 0.732 7.260 -20.303 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -0.830 6.454 -20.577 1.00 0.00 H new ATOM 2062 N ILE B 36 -1.447 5.713 -22.710 1.00 0.00 N ATOM 2063 CA ILE B 36 -2.738 6.438 -22.548 1.00 0.00 C ATOM 2064 C ILE B 36 -3.891 5.698 -23.212 1.00 0.00 C ATOM 2065 O ILE B 36 -4.974 5.613 -22.670 1.00 0.00 O ATOM 2066 CB ILE B 36 -2.604 7.821 -23.178 1.00 0.00 C ATOM 2067 CG1 ILE B 36 -1.520 8.608 -22.437 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -3.936 8.561 -23.074 1.00 0.00 C ATOM 2069 CD1 ILE B 36 -1.195 9.897 -23.199 1.00 0.00 C ATOM 0 H ILE B 36 -0.778 6.163 -23.335 1.00 0.00 H new ATOM 0 HA ILE B 36 -2.957 6.512 -21.483 1.00 0.00 H new ATOM 0 HB ILE B 36 -2.330 7.721 -24.228 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -1.858 8.847 -21.429 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -0.622 7.999 -22.336 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -3.839 9.549 -23.524 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -4.707 7.997 -23.598 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -4.213 8.666 -22.025 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -0.423 10.451 -22.665 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -0.838 9.649 -24.198 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -2.093 10.510 -23.277 1.00 0.00 H new ATOM 2081 N ASN B 37 -3.693 5.193 -24.390 1.00 0.00 N ATOM 2082 CA ASN B 37 -4.817 4.506 -25.072 1.00 0.00 C ATOM 2083 C ASN B 37 -5.162 3.180 -24.387 1.00 0.00 C ATOM 2084 O ASN B 37 -6.313 2.805 -24.284 1.00 0.00 O ATOM 2085 CB ASN B 37 -4.444 4.245 -26.533 1.00 0.00 C ATOM 2086 CG ASN B 37 -4.405 5.572 -27.295 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -3.612 6.525 -26.886 1.00 0.00 O flip ATOM 2088 ND2 ASN B 37 -5.109 5.746 -28.270 1.00 0.00 N flip ATOM 0 H ASN B 37 -2.814 5.224 -24.906 1.00 0.00 H new ATOM 0 HA ASN B 37 -5.693 5.153 -25.018 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -3.473 3.753 -26.589 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -5.170 3.572 -26.990 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -5.729 5.002 -28.591 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -5.080 6.636 -28.768 1.00 0.00 H new ATOM 2095 N ASN B 38 -4.171 2.448 -23.966 1.00 0.00 N ATOM 2096 CA ASN B 38 -4.422 1.104 -23.337 1.00 0.00 C ATOM 2097 C ASN B 38 -4.359 1.124 -21.803 1.00 0.00 C ATOM 2098 O ASN B 38 -5.073 0.385 -21.154 1.00 0.00 O ATOM 2099 CB ASN B 38 -3.376 0.114 -23.851 1.00 0.00 C ATOM 2100 CG ASN B 38 -3.481 0.010 -25.372 1.00 0.00 C ATOM 2101 OD1 ASN B 38 -4.429 0.657 -25.990 1.00 0.00 O flip ATOM 2102 ND2 ASN B 38 -2.688 -0.660 -26.004 1.00 0.00 N flip ATOM 0 H ASN B 38 -3.189 2.716 -24.027 1.00 0.00 H new ATOM 0 HA ASN B 38 -5.434 0.810 -23.615 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -2.377 0.443 -23.566 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -3.531 -0.865 -23.397 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -1.947 -1.166 -25.519 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -2.764 -0.717 -27.020 1.00 0.00 H new ATOM 2109 N GLU B 39 -3.499 1.907 -21.199 1.00 0.00 N ATOM 2110 CA GLU B 39 -3.416 1.869 -19.701 1.00 0.00 C ATOM 2111 C GLU B 39 -4.499 2.763 -19.089 1.00 0.00 C ATOM 2112 O GLU B 39 -4.745 2.713 -17.903 1.00 0.00 O ATOM 2113 CB GLU B 39 -2.016 2.322 -19.225 1.00 0.00 C ATOM 2114 CG GLU B 39 -1.730 1.744 -17.833 1.00 0.00 C ATOM 2115 CD GLU B 39 -1.439 0.243 -17.951 1.00 0.00 C ATOM 2116 OE1 GLU B 39 -1.587 -0.287 -19.040 1.00 0.00 O ATOM 2117 OE2 GLU B 39 -1.060 -0.350 -16.955 1.00 0.00 O ATOM 0 H GLU B 39 -2.864 2.557 -21.662 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.579 0.843 -19.370 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.256 1.988 -19.931 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.966 3.410 -19.194 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -0.879 2.256 -17.383 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -2.585 1.909 -17.177 1.00 0.00 H new ATOM 2124 N LEU B 40 -5.163 3.563 -19.888 1.00 0.00 N ATOM 2125 CA LEU B 40 -6.249 4.450 -19.348 1.00 0.00 C ATOM 2126 C LEU B 40 -7.432 4.417 -20.325 1.00 0.00 C ATOM 2127 O LEU B 40 -8.011 5.435 -20.652 1.00 0.00 O ATOM 2128 CB LEU B 40 -5.738 5.904 -19.206 1.00 0.00 C ATOM 2129 CG LEU B 40 -4.273 5.945 -18.711 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -3.727 7.377 -18.845 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -4.183 5.512 -17.229 1.00 0.00 C ATOM 0 H LEU B 40 -5.002 3.642 -20.892 1.00 0.00 H new ATOM 0 HA LEU B 40 -6.556 4.094 -18.365 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.813 6.412 -20.167 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -6.374 6.448 -18.508 1.00 0.00 H new ATOM 0 HG LEU B 40 -3.685 5.257 -19.318 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.695 7.407 -18.496 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.766 7.685 -19.890 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -4.333 8.055 -18.244 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -3.144 5.548 -16.902 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.780 6.187 -16.616 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -4.561 4.495 -17.123 1.00 0.00 H new ATOM 2143 N SER B 41 -7.777 3.255 -20.808 1.00 0.00 N ATOM 2144 CA SER B 41 -8.902 3.147 -21.783 1.00 0.00 C ATOM 2145 C SER B 41 -10.221 3.658 -21.184 1.00 0.00 C ATOM 2146 O SER B 41 -10.987 4.317 -21.858 1.00 0.00 O ATOM 2147 CB SER B 41 -9.070 1.685 -22.191 1.00 0.00 C ATOM 2148 OG SER B 41 -7.911 1.258 -22.895 1.00 0.00 O ATOM 0 H SER B 41 -7.327 2.371 -20.569 1.00 0.00 H new ATOM 0 HA SER B 41 -8.662 3.764 -22.649 1.00 0.00 H new ATOM 0 HB2 SER B 41 -9.223 1.064 -21.308 1.00 0.00 H new ATOM 0 HB3 SER B 41 -9.954 1.570 -22.818 1.00 0.00 H new ATOM 0 HG SER B 41 -7.564 1.999 -23.435 1.00 0.00 H new ATOM 2154 N HIS B 42 -10.505 3.352 -19.934 1.00 0.00 N ATOM 2155 CA HIS B 42 -11.797 3.818 -19.313 1.00 0.00 C ATOM 2156 C HIS B 42 -11.518 4.702 -18.098 1.00 0.00 C ATOM 2157 O HIS B 42 -12.349 5.490 -17.694 1.00 0.00 O ATOM 2158 CB HIS B 42 -12.622 2.604 -18.871 1.00 0.00 C ATOM 2159 CG HIS B 42 -11.865 1.811 -17.841 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -11.941 2.096 -16.484 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -11.029 0.728 -17.951 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -11.171 1.200 -15.838 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -10.596 0.346 -16.687 1.00 0.00 N ATOM 0 H HIS B 42 -9.903 2.804 -19.320 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.350 4.395 -20.054 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -13.576 2.933 -18.459 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -12.847 1.975 -19.732 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -10.751 0.247 -18.877 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -11.036 1.176 -14.767 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -9.970 -0.425 -16.456 1.00 0.00 H new ATOM 2172 N PHE B 43 -10.364 4.581 -17.508 1.00 0.00 N ATOM 2173 CA PHE B 43 -10.052 5.421 -16.318 1.00 0.00 C ATOM 2174 C PHE B 43 -9.928 6.889 -16.746 1.00 0.00 C ATOM 2175 O PHE B 43 -10.349 7.786 -16.042 1.00 0.00 O ATOM 2176 CB PHE B 43 -8.746 4.931 -15.674 1.00 0.00 C ATOM 2177 CG PHE B 43 -8.266 5.902 -14.606 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -9.145 6.379 -13.616 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -6.925 6.317 -14.599 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -8.681 7.263 -12.634 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -6.468 7.201 -13.615 1.00 0.00 C ATOM 2182 CZ PHE B 43 -7.345 7.674 -12.634 1.00 0.00 C ATOM 0 H PHE B 43 -9.625 3.940 -17.796 1.00 0.00 H new ATOM 0 HA PHE B 43 -10.855 5.339 -15.585 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.901 3.947 -15.232 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.979 4.819 -16.440 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -10.178 6.063 -13.614 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -6.244 5.953 -15.355 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -9.357 7.628 -11.875 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -5.436 7.519 -13.613 1.00 0.00 H new ATOM 0 HZ PHE B 43 -6.990 8.357 -11.876 1.00 0.00 H new ATOM 2192 N LEU B 44 -9.353 7.136 -17.899 1.00 0.00 N ATOM 2193 CA LEU B 44 -9.192 8.542 -18.399 1.00 0.00 C ATOM 2194 C LEU B 44 -9.668 8.606 -19.850 1.00 0.00 C ATOM 2195 O LEU B 44 -9.756 7.600 -20.526 1.00 0.00 O ATOM 2196 CB LEU B 44 -7.711 8.945 -18.325 1.00 0.00 C ATOM 2197 CG LEU B 44 -7.560 10.478 -18.388 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -7.807 11.099 -17.008 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -6.137 10.832 -18.835 1.00 0.00 C ATOM 0 H LEU B 44 -8.984 6.418 -18.522 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.780 9.225 -17.786 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -7.272 8.569 -17.401 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -7.163 8.486 -19.148 1.00 0.00 H new ATOM 0 HG LEU B 44 -8.290 10.869 -19.096 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.696 12.182 -17.071 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.816 10.856 -16.675 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.084 10.701 -16.295 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -6.029 11.916 -18.880 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -5.420 10.425 -18.122 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -5.949 10.407 -19.821 1.00 0.00 H new ATOM 2211 N GLU B 45 -9.982 9.773 -20.339 1.00 0.00 N ATOM 2212 CA GLU B 45 -10.453 9.868 -21.744 1.00 0.00 C ATOM 2213 C GLU B 45 -9.439 9.171 -22.654 1.00 0.00 C ATOM 2214 O GLU B 45 -8.329 9.625 -22.846 1.00 0.00 O ATOM 2215 CB GLU B 45 -10.601 11.345 -22.146 1.00 0.00 C ATOM 2216 CG GLU B 45 -9.221 12.020 -22.229 1.00 0.00 C ATOM 2217 CD GLU B 45 -9.368 13.532 -22.031 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -9.532 13.947 -20.896 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -9.313 14.247 -23.017 1.00 0.00 O ATOM 0 H GLU B 45 -9.933 10.656 -19.831 1.00 0.00 H new ATOM 0 HA GLU B 45 -11.424 9.383 -21.843 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -11.107 11.417 -23.109 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -11.224 11.866 -21.419 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -8.558 11.607 -21.468 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -8.763 11.814 -23.196 1.00 0.00 H new ATOM 2226 N GLU B 46 -9.818 8.057 -23.204 1.00 0.00 N ATOM 2227 CA GLU B 46 -8.898 7.307 -24.100 1.00 0.00 C ATOM 2228 C GLU B 46 -8.555 8.183 -25.306 1.00 0.00 C ATOM 2229 O GLU B 46 -9.424 8.788 -25.902 1.00 0.00 O ATOM 2230 CB GLU B 46 -9.613 6.040 -24.585 1.00 0.00 C ATOM 2231 CG GLU B 46 -8.635 5.157 -25.357 1.00 0.00 C ATOM 2232 CD GLU B 46 -9.390 3.992 -25.997 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -10.581 3.880 -25.761 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -8.764 3.233 -26.719 1.00 0.00 O ATOM 0 H GLU B 46 -10.734 7.628 -23.071 1.00 0.00 H new ATOM 0 HA GLU B 46 -7.985 7.041 -23.567 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -10.018 5.492 -23.734 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -10.456 6.308 -25.222 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -8.130 5.742 -26.126 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -7.864 4.779 -24.686 1.00 0.00 H new ATOM 2241 N ILE B 47 -7.306 8.250 -25.697 1.00 0.00 N ATOM 2242 CA ILE B 47 -6.964 9.079 -26.885 1.00 0.00 C ATOM 2243 C ILE B 47 -7.293 8.265 -28.132 1.00 0.00 C ATOM 2244 O ILE B 47 -7.102 7.065 -28.167 1.00 0.00 O ATOM 2245 CB ILE B 47 -5.487 9.482 -26.857 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -5.287 10.480 -25.699 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -5.119 10.134 -28.202 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -3.822 10.904 -25.595 1.00 0.00 C ATOM 0 H ILE B 47 -6.522 7.773 -25.251 1.00 0.00 H new ATOM 0 HA ILE B 47 -7.543 10.002 -26.884 1.00 0.00 H new ATOM 0 HB ILE B 47 -4.846 8.613 -26.705 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -5.914 11.358 -25.857 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -5.606 10.025 -24.761 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -4.068 10.424 -28.190 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -5.290 9.423 -29.010 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -5.738 11.018 -28.359 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -3.705 11.608 -24.771 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -3.201 10.027 -25.414 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -3.514 11.380 -26.526 1.00 0.00 H new ATOM 2260 N LYS B 48 -7.843 8.899 -29.132 1.00 0.00 N ATOM 2261 CA LYS B 48 -8.260 8.168 -30.365 1.00 0.00 C ATOM 2262 C LYS B 48 -7.368 8.538 -31.554 1.00 0.00 C ATOM 2263 O LYS B 48 -7.268 7.791 -32.506 1.00 0.00 O ATOM 2264 CB LYS B 48 -9.715 8.564 -30.673 1.00 0.00 C ATOM 2265 CG LYS B 48 -10.520 8.692 -29.350 1.00 0.00 C ATOM 2266 CD LYS B 48 -10.538 10.154 -28.862 1.00 0.00 C ATOM 2267 CE LYS B 48 -11.504 10.299 -27.681 1.00 0.00 C ATOM 2268 NZ LYS B 48 -12.891 10.454 -28.200 1.00 0.00 N ATOM 0 H LYS B 48 -8.023 9.903 -29.148 1.00 0.00 H new ATOM 0 HA LYS B 48 -8.169 7.094 -30.202 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.737 9.509 -31.215 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -10.176 7.816 -31.318 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -11.541 8.342 -29.504 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -10.077 8.054 -28.586 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -9.535 10.459 -28.562 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -10.842 10.814 -29.675 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -11.441 9.424 -27.034 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -11.231 11.163 -27.076 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -13.557 10.502 -27.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -12.957 11.329 -28.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -13.130 9.640 -28.802 1.00 0.00 H new ATOM 2282 N GLU B 49 -6.739 9.689 -31.519 1.00 0.00 N ATOM 2283 CA GLU B 49 -5.872 10.119 -32.666 1.00 0.00 C ATOM 2284 C GLU B 49 -4.455 10.423 -32.200 1.00 0.00 C ATOM 2285 O GLU B 49 -4.231 10.996 -31.153 1.00 0.00 O ATOM 2286 CB GLU B 49 -6.468 11.371 -33.311 1.00 0.00 C ATOM 2287 CG GLU B 49 -7.704 10.979 -34.113 1.00 0.00 C ATOM 2288 CD GLU B 49 -8.330 12.224 -34.742 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -7.858 13.310 -34.452 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -9.268 12.069 -35.507 1.00 0.00 O ATOM 0 H GLU B 49 -6.788 10.351 -30.745 1.00 0.00 H new ATOM 0 HA GLU B 49 -5.831 9.304 -33.388 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -6.733 12.099 -32.544 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -5.733 11.845 -33.961 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -7.433 10.265 -34.891 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -8.428 10.485 -33.465 1.00 0.00 H new ATOM 2297 N GLN B 50 -3.501 10.056 -33.004 1.00 0.00 N ATOM 2298 CA GLN B 50 -2.079 10.321 -32.676 1.00 0.00 C ATOM 2299 C GLN B 50 -1.873 11.828 -32.545 1.00 0.00 C ATOM 2300 O GLN B 50 -1.007 12.280 -31.829 1.00 0.00 O ATOM 2301 CB GLN B 50 -1.198 9.777 -33.808 1.00 0.00 C ATOM 2302 CG GLN B 50 0.287 9.929 -33.456 1.00 0.00 C ATOM 2303 CD GLN B 50 0.648 8.973 -32.320 1.00 0.00 C ATOM 2304 OE1 GLN B 50 0.943 9.460 -31.147 1.00 0.00 O flip ATOM 2305 NE2 GLN B 50 0.669 7.772 -32.503 1.00 0.00 N flip ATOM 0 H GLN B 50 -3.651 9.575 -33.891 1.00 0.00 H new ATOM 0 HA GLN B 50 -1.811 9.834 -31.739 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -1.430 8.727 -33.984 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -1.415 10.311 -34.733 1.00 0.00 H new ATOM 0 HG2 GLN B 50 0.901 9.718 -34.331 1.00 0.00 H new ATOM 0 HG3 GLN B 50 0.497 10.957 -33.160 1.00 0.00 H new ATOM 0 HE21 GLN B 50 0.438 7.392 -33.421 1.00 0.00 H new ATOM 0 HE22 GLN B 50 0.918 7.144 -31.739 1.00 0.00 H new ATOM 2314 N GLU B 51 -2.646 12.609 -33.250 1.00 0.00 N ATOM 2315 CA GLU B 51 -2.470 14.090 -33.177 1.00 0.00 C ATOM 2316 C GLU B 51 -2.677 14.591 -31.750 1.00 0.00 C ATOM 2317 O GLU B 51 -1.969 15.460 -31.296 1.00 0.00 O ATOM 2318 CB GLU B 51 -3.467 14.776 -34.124 1.00 0.00 C ATOM 2319 CG GLU B 51 -4.902 14.671 -33.561 1.00 0.00 C ATOM 2320 CD GLU B 51 -5.233 15.897 -32.699 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -4.308 16.560 -32.260 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -6.409 16.154 -32.498 1.00 0.00 O ATOM 0 H GLU B 51 -3.389 12.289 -33.871 1.00 0.00 H new ATOM 0 HA GLU B 51 -1.452 14.335 -33.481 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -3.195 15.824 -34.252 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -3.421 14.312 -35.109 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -5.616 14.592 -34.381 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -5.000 13.763 -32.965 1.00 0.00 H new ATOM 2329 N VAL B 52 -3.630 14.068 -31.034 1.00 0.00 N ATOM 2330 CA VAL B 52 -3.840 14.552 -29.644 1.00 0.00 C ATOM 2331 C VAL B 52 -2.578 14.289 -28.852 1.00 0.00 C ATOM 2332 O VAL B 52 -2.155 15.089 -28.052 1.00 0.00 O ATOM 2333 CB VAL B 52 -5.007 13.810 -29.008 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -5.220 14.304 -27.576 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -6.273 14.046 -29.827 1.00 0.00 C ATOM 0 H VAL B 52 -4.266 13.334 -31.346 1.00 0.00 H new ATOM 0 HA VAL B 52 -4.066 15.618 -29.651 1.00 0.00 H new ATOM 0 HB VAL B 52 -4.784 12.743 -28.988 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -6.057 13.769 -27.127 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -4.318 14.124 -26.991 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -5.437 15.372 -27.588 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -7.107 13.514 -29.369 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -6.495 15.113 -29.855 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -6.123 13.680 -30.843 1.00 0.00 H new ATOM 2345 N VAL B 53 -1.978 13.164 -29.073 1.00 0.00 N ATOM 2346 CA VAL B 53 -0.735 12.825 -28.347 1.00 0.00 C ATOM 2347 C VAL B 53 0.339 13.842 -28.693 1.00 0.00 C ATOM 2348 O VAL B 53 1.128 14.218 -27.866 1.00 0.00 O ATOM 2349 CB VAL B 53 -0.273 11.442 -28.768 1.00 0.00 C ATOM 2350 CG1 VAL B 53 0.957 11.041 -27.953 1.00 0.00 C ATOM 2351 CG2 VAL B 53 -1.410 10.458 -28.530 1.00 0.00 C ATOM 0 H VAL B 53 -2.299 12.456 -29.733 1.00 0.00 H new ATOM 0 HA VAL B 53 -0.919 12.839 -27.273 1.00 0.00 H new ATOM 0 HB VAL B 53 -0.003 11.439 -29.824 1.00 0.00 H new ATOM 0 HG11 VAL B 53 1.287 10.048 -28.257 1.00 0.00 H new ATOM 0 HG12 VAL B 53 1.759 11.759 -28.127 1.00 0.00 H new ATOM 0 HG13 VAL B 53 0.703 11.030 -26.893 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -1.094 9.458 -28.828 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -1.674 10.455 -27.472 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -2.278 10.755 -29.119 1.00 0.00 H new ATOM 2361 N ASP B 54 0.382 14.268 -29.922 1.00 0.00 N ATOM 2362 CA ASP B 54 1.413 15.255 -30.346 1.00 0.00 C ATOM 2363 C ASP B 54 1.191 16.582 -29.624 1.00 0.00 C ATOM 2364 O ASP B 54 2.122 17.272 -29.263 1.00 0.00 O ATOM 2365 CB ASP B 54 1.317 15.463 -31.860 1.00 0.00 C ATOM 2366 CG ASP B 54 2.426 16.408 -32.330 1.00 0.00 C ATOM 2367 OD1 ASP B 54 2.874 17.211 -31.529 1.00 0.00 O ATOM 2368 OD2 ASP B 54 2.810 16.309 -33.484 1.00 0.00 O ATOM 0 H ASP B 54 -0.259 13.972 -30.659 1.00 0.00 H new ATOM 0 HA ASP B 54 2.404 14.879 -30.092 1.00 0.00 H new ATOM 0 HB2 ASP B 54 1.402 14.505 -32.373 1.00 0.00 H new ATOM 0 HB3 ASP B 54 0.342 15.877 -32.117 1.00 0.00 H new ATOM 2373 N LYS B 55 -0.040 16.937 -29.419 1.00 0.00 N ATOM 2374 CA LYS B 55 -0.355 18.216 -28.723 1.00 0.00 C ATOM 2375 C LYS B 55 0.088 18.098 -27.272 1.00 0.00 C ATOM 2376 O LYS B 55 0.642 19.013 -26.691 1.00 0.00 O ATOM 2377 CB LYS B 55 -1.864 18.464 -28.774 1.00 0.00 C ATOM 2378 CG LYS B 55 -2.171 19.878 -28.279 1.00 0.00 C ATOM 2379 CD LYS B 55 -3.682 20.115 -28.334 1.00 0.00 C ATOM 2380 CE LYS B 55 -3.997 21.534 -27.855 1.00 0.00 C ATOM 2381 NZ LYS B 55 -3.431 22.518 -28.821 1.00 0.00 N ATOM 0 H LYS B 55 -0.853 16.392 -29.706 1.00 0.00 H new ATOM 0 HA LYS B 55 0.162 19.044 -29.208 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -2.229 18.338 -29.793 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -2.384 17.731 -28.157 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -1.808 20.006 -27.259 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -1.653 20.612 -28.896 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -4.045 19.975 -29.352 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -4.198 19.386 -27.708 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -5.075 21.670 -27.769 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -3.575 21.697 -26.863 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -3.910 23.434 -28.704 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -2.413 22.634 -28.642 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -3.575 22.174 -29.792 1.00 0.00 H new ATOM 2395 N VAL B 56 -0.134 16.955 -26.693 1.00 0.00 N ATOM 2396 CA VAL B 56 0.285 16.743 -25.287 1.00 0.00 C ATOM 2397 C VAL B 56 1.802 16.769 -25.256 1.00 0.00 C ATOM 2398 O VAL B 56 2.415 17.229 -24.313 1.00 0.00 O ATOM 2399 CB VAL B 56 -0.256 15.388 -24.790 1.00 0.00 C ATOM 2400 CG1 VAL B 56 0.523 14.903 -23.561 1.00 0.00 C ATOM 2401 CG2 VAL B 56 -1.728 15.552 -24.408 1.00 0.00 C ATOM 0 H VAL B 56 -0.589 16.157 -27.136 1.00 0.00 H new ATOM 0 HA VAL B 56 -0.110 17.520 -24.633 1.00 0.00 H new ATOM 0 HB VAL B 56 -0.143 14.654 -25.588 1.00 0.00 H new ATOM 0 HG11 VAL B 56 0.121 13.945 -23.230 1.00 0.00 H new ATOM 0 HG12 VAL B 56 1.575 14.785 -23.820 1.00 0.00 H new ATOM 0 HG13 VAL B 56 0.427 15.633 -22.758 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -2.121 14.598 -24.055 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -1.818 16.297 -23.617 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -2.296 15.878 -25.279 1.00 0.00 H new ATOM 2411 N MET B 57 2.407 16.286 -26.296 1.00 0.00 N ATOM 2412 CA MET B 57 3.885 16.283 -26.356 1.00 0.00 C ATOM 2413 C MET B 57 4.379 17.711 -26.531 1.00 0.00 C ATOM 2414 O MET B 57 5.472 18.041 -26.159 1.00 0.00 O ATOM 2415 CB MET B 57 4.366 15.385 -27.491 1.00 0.00 C ATOM 2416 CG MET B 57 4.131 13.924 -27.091 1.00 0.00 C ATOM 2417 SD MET B 57 5.296 13.447 -25.789 1.00 0.00 S ATOM 2418 CE MET B 57 6.698 13.029 -26.854 1.00 0.00 C ATOM 0 H MET B 57 1.938 15.891 -27.111 1.00 0.00 H new ATOM 0 HA MET B 57 4.292 15.884 -25.427 1.00 0.00 H new ATOM 0 HB2 MET B 57 3.829 15.617 -28.411 1.00 0.00 H new ATOM 0 HB3 MET B 57 5.424 15.558 -27.688 1.00 0.00 H new ATOM 0 HG2 MET B 57 3.107 13.794 -26.741 1.00 0.00 H new ATOM 0 HG3 MET B 57 4.256 13.276 -27.958 1.00 0.00 H new ATOM 0 HE1 MET B 57 6.813 11.946 -26.895 1.00 0.00 H new ATOM 0 HE2 MET B 57 6.519 13.413 -27.858 1.00 0.00 H new ATOM 0 HE3 MET B 57 7.607 13.476 -26.451 1.00 0.00 H new ATOM 2428 N GLU B 58 3.581 18.584 -27.062 1.00 0.00 N ATOM 2429 CA GLU B 58 4.056 19.983 -27.191 1.00 0.00 C ATOM 2430 C GLU B 58 4.360 20.460 -25.772 1.00 0.00 C ATOM 2431 O GLU B 58 5.343 21.125 -25.512 1.00 0.00 O ATOM 2432 CB GLU B 58 2.966 20.848 -27.828 1.00 0.00 C ATOM 2433 CG GLU B 58 3.472 22.284 -27.985 1.00 0.00 C ATOM 2434 CD GLU B 58 2.385 23.139 -28.639 1.00 0.00 C ATOM 2435 OE1 GLU B 58 1.406 22.572 -29.096 1.00 0.00 O ATOM 2436 OE2 GLU B 58 2.553 24.347 -28.680 1.00 0.00 O ATOM 0 H GLU B 58 2.639 18.398 -27.406 1.00 0.00 H new ATOM 0 HA GLU B 58 4.939 20.053 -27.826 1.00 0.00 H new ATOM 0 HB2 GLU B 58 2.688 20.442 -28.801 1.00 0.00 H new ATOM 0 HB3 GLU B 58 2.069 20.834 -27.209 1.00 0.00 H new ATOM 0 HG2 GLU B 58 3.737 22.696 -27.011 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.376 22.298 -28.594 1.00 0.00 H new ATOM 2443 N THR B 59 3.515 20.084 -24.849 1.00 0.00 N ATOM 2444 CA THR B 59 3.719 20.457 -23.419 1.00 0.00 C ATOM 2445 C THR B 59 4.706 19.483 -22.748 1.00 0.00 C ATOM 2446 O THR B 59 5.484 19.864 -21.897 1.00 0.00 O ATOM 2447 CB THR B 59 2.368 20.383 -22.699 1.00 0.00 C ATOM 2448 OG1 THR B 59 1.519 21.420 -23.173 1.00 0.00 O ATOM 2449 CG2 THR B 59 2.557 20.525 -21.187 1.00 0.00 C ATOM 0 H THR B 59 2.680 19.526 -25.028 1.00 0.00 H new ATOM 0 HA THR B 59 4.128 21.466 -23.361 1.00 0.00 H new ATOM 0 HB THR B 59 1.914 19.414 -22.905 1.00 0.00 H new ATOM 0 HG1 THR B 59 0.655 21.371 -22.713 1.00 0.00 H new ATOM 0 HG21 THR B 59 1.587 20.470 -20.692 1.00 0.00 H new ATOM 0 HG22 THR B 59 3.196 19.720 -20.823 1.00 0.00 H new ATOM 0 HG23 THR B 59 3.023 21.486 -20.967 1.00 0.00 H new ATOM 2457 N LEU B 60 4.647 18.222 -23.100 1.00 0.00 N ATOM 2458 CA LEU B 60 5.544 17.205 -22.462 1.00 0.00 C ATOM 2459 C LEU B 60 6.878 17.112 -23.210 1.00 0.00 C ATOM 2460 O LEU B 60 7.853 16.617 -22.681 1.00 0.00 O ATOM 2461 CB LEU B 60 4.826 15.830 -22.490 1.00 0.00 C ATOM 2462 CG LEU B 60 4.447 15.376 -21.067 1.00 0.00 C ATOM 2463 CD1 LEU B 60 3.409 16.343 -20.450 1.00 0.00 C ATOM 2464 CD2 LEU B 60 3.874 13.939 -21.111 1.00 0.00 C ATOM 0 H LEU B 60 4.012 17.850 -23.806 1.00 0.00 H new ATOM 0 HA LEU B 60 5.754 17.501 -21.434 1.00 0.00 H new ATOM 0 HB2 LEU B 60 3.929 15.897 -23.105 1.00 0.00 H new ATOM 0 HB3 LEU B 60 5.475 15.086 -22.952 1.00 0.00 H new ATOM 0 HG LEU B 60 5.342 15.386 -20.445 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.152 16.008 -19.445 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.831 17.347 -20.401 1.00 0.00 H new ATOM 0 HD13 LEU B 60 2.512 16.356 -21.068 1.00 0.00 H new ATOM 0 HD21 LEU B 60 3.608 13.623 -20.103 1.00 0.00 H new ATOM 0 HD22 LEU B 60 2.987 13.920 -21.744 1.00 0.00 H new ATOM 0 HD23 LEU B 60 4.624 13.261 -21.518 1.00 0.00 H new ATOM 2476 N ASP B 61 6.941 17.580 -24.420 1.00 0.00 N ATOM 2477 CA ASP B 61 8.229 17.504 -25.160 1.00 0.00 C ATOM 2478 C ASP B 61 9.094 18.653 -24.681 1.00 0.00 C ATOM 2479 O ASP B 61 9.483 19.525 -25.432 1.00 0.00 O ATOM 2480 CB ASP B 61 7.998 17.623 -26.666 1.00 0.00 C ATOM 2481 CG ASP B 61 9.321 17.395 -27.391 1.00 0.00 C ATOM 2482 OD1 ASP B 61 10.317 17.189 -26.714 1.00 0.00 O ATOM 2483 OD2 ASP B 61 9.318 17.425 -28.610 1.00 0.00 O ATOM 0 H ASP B 61 6.166 18.008 -24.927 1.00 0.00 H new ATOM 0 HA ASP B 61 8.712 16.545 -24.974 1.00 0.00 H new ATOM 0 HB2 ASP B 61 7.259 16.891 -26.992 1.00 0.00 H new ATOM 0 HB3 ASP B 61 7.600 18.608 -26.909 1.00 0.00 H new ATOM 2488 N GLU B 62 9.378 18.655 -23.417 1.00 0.00 N ATOM 2489 CA GLU B 62 10.197 19.739 -22.831 1.00 0.00 C ATOM 2490 C GLU B 62 11.561 19.755 -23.516 1.00 0.00 C ATOM 2491 O GLU B 62 12.109 20.799 -23.811 1.00 0.00 O ATOM 2492 CB GLU B 62 10.366 19.467 -21.340 1.00 0.00 C ATOM 2493 CG GLU B 62 8.983 19.295 -20.699 1.00 0.00 C ATOM 2494 CD GLU B 62 9.131 19.225 -19.178 1.00 0.00 C ATOM 2495 OE1 GLU B 62 10.259 19.255 -18.712 1.00 0.00 O ATOM 2496 OE2 GLU B 62 8.117 19.142 -18.506 1.00 0.00 O ATOM 0 H GLU B 62 9.073 17.941 -22.755 1.00 0.00 H new ATOM 0 HA GLU B 62 9.713 20.705 -22.974 1.00 0.00 H new ATOM 0 HB2 GLU B 62 10.965 18.569 -21.187 1.00 0.00 H new ATOM 0 HB3 GLU B 62 10.900 20.291 -20.866 1.00 0.00 H new ATOM 0 HG2 GLU B 62 8.337 20.128 -20.974 1.00 0.00 H new ATOM 0 HG3 GLU B 62 8.508 18.387 -21.071 1.00 0.00 H new ATOM 2503 N ASP B 63 12.108 18.603 -23.783 1.00 0.00 N ATOM 2504 CA ASP B 63 13.432 18.553 -24.462 1.00 0.00 C ATOM 2505 C ASP B 63 13.243 18.931 -25.931 1.00 0.00 C ATOM 2506 O ASP B 63 14.191 19.190 -26.644 1.00 0.00 O ATOM 2507 CB ASP B 63 14.004 17.136 -24.372 1.00 0.00 C ATOM 2508 CG ASP B 63 14.182 16.746 -22.905 1.00 0.00 C ATOM 2509 OD1 ASP B 63 14.748 17.535 -22.166 1.00 0.00 O ATOM 2510 OD2 ASP B 63 13.749 15.664 -22.545 1.00 0.00 O ATOM 0 H ASP B 63 11.697 17.696 -23.561 1.00 0.00 H new ATOM 0 HA ASP B 63 14.121 19.248 -23.981 1.00 0.00 H new ATOM 0 HB2 ASP B 63 13.336 16.431 -24.867 1.00 0.00 H new ATOM 0 HB3 ASP B 63 14.961 17.086 -24.891 1.00 0.00 H new ATOM 2515 N GLY B 64 12.018 18.974 -26.385 1.00 0.00 N ATOM 2516 CA GLY B 64 11.761 19.349 -27.808 1.00 0.00 C ATOM 2517 C GLY B 64 12.275 18.247 -28.742 1.00 0.00 C ATOM 2518 O GLY B 64 12.668 18.516 -29.860 1.00 0.00 O ATOM 0 H GLY B 64 11.185 18.766 -25.834 1.00 0.00 H new ATOM 0 HA2 GLY B 64 10.693 19.502 -27.965 1.00 0.00 H new ATOM 0 HA3 GLY B 64 12.255 20.293 -28.039 1.00 0.00 H new ATOM 2522 N ASP B 65 12.286 17.011 -28.295 1.00 0.00 N ATOM 2523 CA ASP B 65 12.790 15.891 -29.161 1.00 0.00 C ATOM 2524 C ASP B 65 11.620 15.031 -29.649 1.00 0.00 C ATOM 2525 O ASP B 65 11.807 14.046 -30.336 1.00 0.00 O ATOM 2526 CB ASP B 65 13.756 15.025 -28.348 1.00 0.00 C ATOM 2527 CG ASP B 65 13.021 14.418 -27.153 1.00 0.00 C ATOM 2528 OD1 ASP B 65 11.900 14.828 -26.904 1.00 0.00 O ATOM 2529 OD2 ASP B 65 13.593 13.555 -26.507 1.00 0.00 O ATOM 0 H ASP B 65 11.968 16.728 -27.368 1.00 0.00 H new ATOM 0 HA ASP B 65 13.304 16.310 -30.026 1.00 0.00 H new ATOM 0 HB2 ASP B 65 14.166 14.234 -28.975 1.00 0.00 H new ATOM 0 HB3 ASP B 65 14.597 15.627 -28.003 1.00 0.00 H new ATOM 2534 N GLY B 66 10.417 15.384 -29.292 1.00 0.00 N ATOM 2535 CA GLY B 66 9.244 14.574 -29.727 1.00 0.00 C ATOM 2536 C GLY B 66 9.130 13.355 -28.813 1.00 0.00 C ATOM 2537 O GLY B 66 8.311 12.481 -29.013 1.00 0.00 O ATOM 0 H GLY B 66 10.195 16.198 -28.718 1.00 0.00 H new ATOM 0 HA2 GLY B 66 8.333 15.170 -29.678 1.00 0.00 H new ATOM 0 HA3 GLY B 66 9.364 14.260 -30.764 1.00 0.00 H new ATOM 2541 N GLU B 67 9.960 13.303 -27.806 1.00 0.00 N ATOM 2542 CA GLU B 67 9.943 12.165 -26.843 1.00 0.00 C ATOM 2543 C GLU B 67 10.020 12.755 -25.430 1.00 0.00 C ATOM 2544 O GLU B 67 10.790 13.660 -25.181 1.00 0.00 O ATOM 2545 CB GLU B 67 11.178 11.291 -27.089 1.00 0.00 C ATOM 2546 CG GLU B 67 11.290 10.970 -28.582 1.00 0.00 C ATOM 2547 CD GLU B 67 12.525 10.099 -28.827 1.00 0.00 C ATOM 2548 OE1 GLU B 67 13.311 9.946 -27.906 1.00 0.00 O ATOM 2549 OE2 GLU B 67 12.667 9.607 -29.934 1.00 0.00 O ATOM 0 H GLU B 67 10.662 14.015 -27.607 1.00 0.00 H new ATOM 0 HA GLU B 67 9.041 11.564 -26.963 1.00 0.00 H new ATOM 0 HB2 GLU B 67 12.076 11.808 -26.749 1.00 0.00 H new ATOM 0 HB3 GLU B 67 11.104 10.369 -26.513 1.00 0.00 H new ATOM 0 HG2 GLU B 67 10.393 10.451 -28.921 1.00 0.00 H new ATOM 0 HG3 GLU B 67 11.362 11.892 -29.158 1.00 0.00 H new ATOM 2556 N CYS B 68 9.244 12.257 -24.499 1.00 0.00 N ATOM 2557 CA CYS B 68 9.291 12.800 -23.100 1.00 0.00 C ATOM 2558 C CYS B 68 10.067 11.814 -22.223 1.00 0.00 C ATOM 2559 O CYS B 68 9.803 10.632 -22.211 1.00 0.00 O ATOM 2560 CB CYS B 68 7.855 13.001 -22.567 1.00 0.00 C ATOM 2561 SG CYS B 68 6.730 11.882 -23.438 1.00 0.00 S ATOM 0 H CYS B 68 8.579 11.498 -24.645 1.00 0.00 H new ATOM 0 HA CYS B 68 9.793 13.768 -23.085 1.00 0.00 H new ATOM 0 HB2 CYS B 68 7.822 12.806 -21.495 1.00 0.00 H new ATOM 0 HB3 CYS B 68 7.542 14.035 -22.713 1.00 0.00 H new ATOM 0 HG CYS B 68 6.062 12.548 -24.333 1.00 0.00 H new ATOM 2567 N ASP B 69 11.035 12.299 -21.503 1.00 0.00 N ATOM 2568 CA ASP B 69 11.852 11.406 -20.636 1.00 0.00 C ATOM 2569 C ASP B 69 11.036 10.982 -19.419 1.00 0.00 C ATOM 2570 O ASP B 69 9.971 11.507 -19.162 1.00 0.00 O ATOM 2571 CB ASP B 69 13.103 12.157 -20.173 1.00 0.00 C ATOM 2572 CG ASP B 69 14.047 11.186 -19.462 1.00 0.00 C ATOM 2573 OD1 ASP B 69 13.797 10.888 -18.306 1.00 0.00 O ATOM 2574 OD2 ASP B 69 15.002 10.755 -20.087 1.00 0.00 O ATOM 0 H ASP B 69 11.299 13.284 -21.477 1.00 0.00 H new ATOM 0 HA ASP B 69 12.143 10.520 -21.201 1.00 0.00 H new ATOM 0 HB2 ASP B 69 13.606 12.609 -21.028 1.00 0.00 H new ATOM 0 HB3 ASP B 69 12.825 12.969 -19.501 1.00 0.00 H new ATOM 2579 N PHE B 70 11.526 10.037 -18.660 1.00 0.00 N ATOM 2580 CA PHE B 70 10.782 9.590 -17.463 1.00 0.00 C ATOM 2581 C PHE B 70 10.405 10.826 -16.644 1.00 0.00 C ATOM 2582 O PHE B 70 9.320 10.919 -16.124 1.00 0.00 O ATOM 2583 CB PHE B 70 11.672 8.641 -16.651 1.00 0.00 C ATOM 2584 CG PHE B 70 11.110 8.461 -15.261 1.00 0.00 C ATOM 2585 CD1 PHE B 70 9.779 8.066 -15.090 1.00 0.00 C ATOM 2586 CD2 PHE B 70 11.917 8.702 -14.143 1.00 0.00 C ATOM 2587 CE1 PHE B 70 9.256 7.912 -13.805 1.00 0.00 C ATOM 2588 CE2 PHE B 70 11.394 8.550 -12.860 1.00 0.00 C ATOM 2589 CZ PHE B 70 10.062 8.156 -12.688 1.00 0.00 C ATOM 0 H PHE B 70 12.412 9.559 -18.824 1.00 0.00 H new ATOM 0 HA PHE B 70 9.873 9.056 -17.740 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.739 7.675 -17.152 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.684 9.041 -16.593 1.00 0.00 H new ATOM 0 HD1 PHE B 70 9.156 7.880 -15.952 1.00 0.00 H new ATOM 0 HD2 PHE B 70 12.945 9.006 -14.275 1.00 0.00 H new ATOM 0 HE1 PHE B 70 8.229 7.604 -13.673 1.00 0.00 H new ATOM 0 HE2 PHE B 70 12.017 8.736 -11.998 1.00 0.00 H new ATOM 0 HZ PHE B 70 9.657 8.040 -11.694 1.00 0.00 H new ATOM 2599 N GLN B 71 11.292 11.775 -16.542 1.00 0.00 N ATOM 2600 CA GLN B 71 10.973 13.019 -15.784 1.00 0.00 C ATOM 2601 C GLN B 71 9.775 13.734 -16.423 1.00 0.00 C ATOM 2602 O GLN B 71 8.838 14.121 -15.758 1.00 0.00 O ATOM 2603 CB GLN B 71 12.195 13.949 -15.819 1.00 0.00 C ATOM 2604 CG GLN B 71 11.812 15.338 -15.298 1.00 0.00 C ATOM 2605 CD GLN B 71 13.075 16.169 -15.056 1.00 0.00 C ATOM 2606 OE1 GLN B 71 13.632 16.149 -13.977 1.00 0.00 O ATOM 2607 NE2 GLN B 71 13.549 16.911 -16.020 1.00 0.00 N ATOM 0 H GLN B 71 12.226 11.744 -16.951 1.00 0.00 H new ATOM 0 HA GLN B 71 10.724 12.761 -14.754 1.00 0.00 H new ATOM 0 HB2 GLN B 71 12.997 13.532 -15.210 1.00 0.00 H new ATOM 0 HB3 GLN B 71 12.575 14.026 -16.838 1.00 0.00 H new ATOM 0 HG2 GLN B 71 11.167 15.841 -16.018 1.00 0.00 H new ATOM 0 HG3 GLN B 71 11.244 15.245 -14.372 1.00 0.00 H new ATOM 0 HE21 GLN B 71 13.082 16.929 -16.927 1.00 0.00 H new ATOM 0 HE22 GLN B 71 14.386 17.473 -15.866 1.00 0.00 H new ATOM 2616 N GLU B 72 9.815 13.936 -17.706 1.00 0.00 N ATOM 2617 CA GLU B 72 8.697 14.650 -18.384 1.00 0.00 C ATOM 2618 C GLU B 72 7.387 13.877 -18.217 1.00 0.00 C ATOM 2619 O GLU B 72 6.336 14.450 -17.998 1.00 0.00 O ATOM 2620 CB GLU B 72 9.036 14.786 -19.867 1.00 0.00 C ATOM 2621 CG GLU B 72 10.152 15.814 -20.049 1.00 0.00 C ATOM 2622 CD GLU B 72 10.638 15.788 -21.500 1.00 0.00 C ATOM 2623 OE1 GLU B 72 11.455 14.939 -21.818 1.00 0.00 O ATOM 2624 OE2 GLU B 72 10.183 16.617 -22.270 1.00 0.00 O ATOM 0 H GLU B 72 10.574 13.638 -18.318 1.00 0.00 H new ATOM 0 HA GLU B 72 8.569 15.636 -17.936 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.348 13.822 -20.268 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.152 15.093 -20.425 1.00 0.00 H new ATOM 0 HG2 GLU B 72 9.789 16.810 -19.794 1.00 0.00 H new ATOM 0 HG3 GLU B 72 10.978 15.593 -19.373 1.00 0.00 H new ATOM 2631 N PHE B 73 7.442 12.583 -18.311 1.00 0.00 N ATOM 2632 CA PHE B 73 6.207 11.770 -18.155 1.00 0.00 C ATOM 2633 C PHE B 73 5.690 11.905 -16.729 1.00 0.00 C ATOM 2634 O PHE B 73 4.503 11.893 -16.478 1.00 0.00 O ATOM 2635 CB PHE B 73 6.510 10.301 -18.429 1.00 0.00 C ATOM 2636 CG PHE B 73 5.239 9.510 -18.263 1.00 0.00 C ATOM 2637 CD1 PHE B 73 4.846 9.082 -16.991 1.00 0.00 C ATOM 2638 CD2 PHE B 73 4.444 9.222 -19.377 1.00 0.00 C ATOM 2639 CE1 PHE B 73 3.658 8.361 -16.833 1.00 0.00 C ATOM 2640 CE2 PHE B 73 3.255 8.504 -19.219 1.00 0.00 C ATOM 2641 CZ PHE B 73 2.862 8.073 -17.946 1.00 0.00 C ATOM 0 H PHE B 73 8.292 12.049 -18.490 1.00 0.00 H new ATOM 0 HA PHE B 73 5.458 12.126 -18.863 1.00 0.00 H new ATOM 0 HB2 PHE B 73 6.904 10.178 -19.438 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.274 9.938 -17.742 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.459 9.308 -16.131 1.00 0.00 H new ATOM 0 HD2 PHE B 73 4.748 9.554 -20.359 1.00 0.00 H new ATOM 0 HE1 PHE B 73 3.355 8.027 -15.852 1.00 0.00 H new ATOM 0 HE2 PHE B 73 2.640 8.282 -20.078 1.00 0.00 H new ATOM 0 HZ PHE B 73 1.944 7.518 -17.824 1.00 0.00 H new ATOM 2651 N MET B 74 6.588 12.009 -15.797 1.00 0.00 N ATOM 2652 CA MET B 74 6.198 12.117 -14.371 1.00 0.00 C ATOM 2653 C MET B 74 5.330 13.360 -14.151 1.00 0.00 C ATOM 2654 O MET B 74 4.398 13.350 -13.372 1.00 0.00 O ATOM 2655 CB MET B 74 7.469 12.181 -13.512 1.00 0.00 C ATOM 2656 CG MET B 74 7.142 12.649 -12.093 1.00 0.00 C ATOM 2657 SD MET B 74 5.603 11.865 -11.509 1.00 0.00 S ATOM 2658 CE MET B 74 6.283 10.497 -10.535 1.00 0.00 C ATOM 0 H MET B 74 7.594 12.024 -15.967 1.00 0.00 H new ATOM 0 HA MET B 74 5.612 11.245 -14.082 1.00 0.00 H new ATOM 0 HB2 MET B 74 7.939 11.198 -13.476 1.00 0.00 H new ATOM 0 HB3 MET B 74 8.188 12.862 -13.968 1.00 0.00 H new ATOM 0 HG2 MET B 74 7.963 12.399 -11.422 1.00 0.00 H new ATOM 0 HG3 MET B 74 7.035 13.734 -12.076 1.00 0.00 H new ATOM 0 HE1 MET B 74 5.878 9.553 -10.901 1.00 0.00 H new ATOM 0 HE2 MET B 74 7.369 10.487 -10.630 1.00 0.00 H new ATOM 0 HE3 MET B 74 6.012 10.626 -9.487 1.00 0.00 H new ATOM 2668 N ALA B 75 5.632 14.440 -14.803 1.00 0.00 N ATOM 2669 CA ALA B 75 4.815 15.664 -14.582 1.00 0.00 C ATOM 2670 C ALA B 75 3.408 15.496 -15.176 1.00 0.00 C ATOM 2671 O ALA B 75 2.451 16.061 -14.685 1.00 0.00 O ATOM 2672 CB ALA B 75 5.513 16.873 -15.212 1.00 0.00 C ATOM 0 H ALA B 75 6.397 14.533 -15.471 1.00 0.00 H new ATOM 0 HA ALA B 75 4.714 15.826 -13.509 1.00 0.00 H new ATOM 0 HB1 ALA B 75 4.911 17.767 -15.048 1.00 0.00 H new ATOM 0 HB2 ALA B 75 6.493 17.006 -14.755 1.00 0.00 H new ATOM 0 HB3 ALA B 75 5.632 16.707 -16.283 1.00 0.00 H new ATOM 2678 N PHE B 76 3.270 14.731 -16.221 1.00 0.00 N ATOM 2679 CA PHE B 76 1.919 14.533 -16.839 1.00 0.00 C ATOM 2680 C PHE B 76 1.008 13.754 -15.891 1.00 0.00 C ATOM 2681 O PHE B 76 -0.199 13.851 -15.950 1.00 0.00 O ATOM 2682 CB PHE B 76 2.083 13.764 -18.154 1.00 0.00 C ATOM 2683 CG PHE B 76 0.743 13.308 -18.678 1.00 0.00 C ATOM 2684 CD1 PHE B 76 0.239 12.059 -18.298 1.00 0.00 C ATOM 2685 CD2 PHE B 76 0.010 14.125 -19.546 1.00 0.00 C ATOM 2686 CE1 PHE B 76 -0.997 11.626 -18.786 1.00 0.00 C ATOM 2687 CE2 PHE B 76 -1.228 13.692 -20.034 1.00 0.00 C ATOM 2688 CZ PHE B 76 -1.731 12.442 -19.654 1.00 0.00 C ATOM 0 H PHE B 76 4.032 14.231 -16.679 1.00 0.00 H new ATOM 0 HA PHE B 76 1.464 15.504 -17.032 1.00 0.00 H new ATOM 0 HB2 PHE B 76 2.571 14.399 -18.894 1.00 0.00 H new ATOM 0 HB3 PHE B 76 2.730 12.901 -17.998 1.00 0.00 H new ATOM 0 HD1 PHE B 76 0.805 11.430 -17.628 1.00 0.00 H new ATOM 0 HD2 PHE B 76 0.399 15.089 -19.839 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -1.386 10.662 -18.493 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -1.795 14.322 -20.703 1.00 0.00 H new ATOM 0 HZ PHE B 76 -2.686 12.107 -20.031 1.00 0.00 H new ATOM 2698 N VAL B 77 1.574 12.970 -15.037 1.00 0.00 N ATOM 2699 CA VAL B 77 0.747 12.165 -14.091 1.00 0.00 C ATOM 2700 C VAL B 77 0.265 13.076 -12.963 1.00 0.00 C ATOM 2701 O VAL B 77 -0.791 12.885 -12.397 1.00 0.00 O ATOM 2702 CB VAL B 77 1.600 11.002 -13.518 1.00 0.00 C ATOM 2703 CG1 VAL B 77 0.762 9.724 -13.365 1.00 0.00 C ATOM 2704 CG2 VAL B 77 2.770 10.718 -14.459 1.00 0.00 C ATOM 0 H VAL B 77 2.582 12.844 -14.945 1.00 0.00 H new ATOM 0 HA VAL B 77 -0.114 11.743 -14.608 1.00 0.00 H new ATOM 0 HB VAL B 77 1.966 11.300 -12.535 1.00 0.00 H new ATOM 0 HG11 VAL B 77 1.386 8.926 -12.962 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -0.069 9.913 -12.686 1.00 0.00 H new ATOM 0 HG13 VAL B 77 0.374 9.424 -14.339 1.00 0.00 H new ATOM 0 HG21 VAL B 77 3.370 9.901 -14.057 1.00 0.00 H new ATOM 0 HG22 VAL B 77 2.388 10.439 -15.441 1.00 0.00 H new ATOM 0 HG23 VAL B 77 3.388 11.611 -14.551 1.00 0.00 H new ATOM 2714 N SER B 78 1.054 14.049 -12.627 1.00 0.00 N ATOM 2715 CA SER B 78 0.690 14.973 -11.530 1.00 0.00 C ATOM 2716 C SER B 78 -0.503 15.851 -11.938 1.00 0.00 C ATOM 2717 O SER B 78 -1.419 16.053 -11.170 1.00 0.00 O ATOM 2718 CB SER B 78 1.917 15.850 -11.223 1.00 0.00 C ATOM 2719 OG SER B 78 3.082 15.186 -11.690 1.00 0.00 O ATOM 0 H SER B 78 1.950 14.246 -13.074 1.00 0.00 H new ATOM 0 HA SER B 78 0.398 14.407 -10.646 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.817 16.822 -11.707 1.00 0.00 H new ATOM 0 HB3 SER B 78 1.991 16.033 -10.151 1.00 0.00 H new ATOM 0 HG SER B 78 3.145 14.302 -11.271 1.00 0.00 H new ATOM 2725 N MET B 79 -0.496 16.392 -13.128 1.00 0.00 N ATOM 2726 CA MET B 79 -1.632 17.276 -13.534 1.00 0.00 C ATOM 2727 C MET B 79 -2.917 16.469 -13.735 1.00 0.00 C ATOM 2728 O MET B 79 -3.986 16.889 -13.337 1.00 0.00 O ATOM 2729 CB MET B 79 -1.289 18.000 -14.844 1.00 0.00 C ATOM 2730 CG MET B 79 -0.566 17.043 -15.804 1.00 0.00 C ATOM 2731 SD MET B 79 -0.972 17.476 -17.515 1.00 0.00 S ATOM 2732 CE MET B 79 -0.629 19.244 -17.389 1.00 0.00 C ATOM 0 H MET B 79 0.235 16.264 -13.828 1.00 0.00 H new ATOM 0 HA MET B 79 -1.793 18.000 -12.736 1.00 0.00 H new ATOM 0 HB2 MET B 79 -2.200 18.375 -15.310 1.00 0.00 H new ATOM 0 HB3 MET B 79 -0.658 18.864 -14.636 1.00 0.00 H new ATOM 0 HG2 MET B 79 0.511 17.102 -15.649 1.00 0.00 H new ATOM 0 HG3 MET B 79 -0.862 16.014 -15.599 1.00 0.00 H new ATOM 0 HE1 MET B 79 -0.398 19.641 -18.377 1.00 0.00 H new ATOM 0 HE2 MET B 79 -1.503 19.757 -16.987 1.00 0.00 H new ATOM 0 HE3 MET B 79 0.221 19.403 -16.726 1.00 0.00 H new ATOM 2742 N VAL B 80 -2.839 15.331 -14.360 1.00 0.00 N ATOM 2743 CA VAL B 80 -4.078 14.541 -14.585 1.00 0.00 C ATOM 2744 C VAL B 80 -4.640 14.095 -13.240 1.00 0.00 C ATOM 2745 O VAL B 80 -5.837 14.019 -13.044 1.00 0.00 O ATOM 2746 CB VAL B 80 -3.782 13.326 -15.453 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -5.090 12.589 -15.718 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -3.177 13.782 -16.781 1.00 0.00 C ATOM 0 H VAL B 80 -1.980 14.916 -14.722 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.811 15.162 -15.100 1.00 0.00 H new ATOM 0 HB VAL B 80 -3.077 12.668 -14.946 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -4.896 11.715 -16.339 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -5.527 12.271 -14.771 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.784 13.253 -16.233 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -2.965 12.912 -17.402 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -3.882 14.434 -17.297 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -2.252 14.326 -16.592 1.00 0.00 H new ATOM 2758 N THR B 81 -3.779 13.803 -12.313 1.00 0.00 N ATOM 2759 CA THR B 81 -4.241 13.364 -10.970 1.00 0.00 C ATOM 2760 C THR B 81 -5.087 14.464 -10.360 1.00 0.00 C ATOM 2761 O THR B 81 -6.091 14.225 -9.721 1.00 0.00 O ATOM 2762 CB THR B 81 -3.028 13.161 -10.071 1.00 0.00 C ATOM 2763 OG1 THR B 81 -2.180 12.172 -10.628 1.00 0.00 O ATOM 2764 CG2 THR B 81 -3.476 12.748 -8.657 1.00 0.00 C ATOM 0 H THR B 81 -2.766 13.849 -12.427 1.00 0.00 H new ATOM 0 HA THR B 81 -4.812 12.440 -11.063 1.00 0.00 H new ATOM 0 HB THR B 81 -2.478 14.099 -9.998 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.831 12.487 -11.488 1.00 0.00 H new ATOM 0 HG21 THR B 81 -2.600 12.606 -8.025 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.107 13.529 -8.233 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.039 11.816 -8.711 1.00 0.00 H new ATOM 2772 N THR B 82 -4.671 15.671 -10.550 1.00 0.00 N ATOM 2773 CA THR B 82 -5.413 16.813 -9.987 1.00 0.00 C ATOM 2774 C THR B 82 -6.862 16.733 -10.477 1.00 0.00 C ATOM 2775 O THR B 82 -7.797 16.980 -9.737 1.00 0.00 O ATOM 2776 CB THR B 82 -4.736 18.104 -10.467 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.334 17.881 -10.553 1.00 0.00 O ATOM 2778 CG2 THR B 82 -4.996 19.237 -9.475 1.00 0.00 C ATOM 0 H THR B 82 -3.835 15.919 -11.080 1.00 0.00 H new ATOM 0 HA THR B 82 -5.412 16.798 -8.897 1.00 0.00 H new ATOM 0 HB THR B 82 -5.140 18.381 -11.441 1.00 0.00 H new ATOM 0 HG1 THR B 82 -2.891 18.699 -10.861 1.00 0.00 H new ATOM 0 HG21 THR B 82 -4.511 20.147 -9.827 1.00 0.00 H new ATOM 0 HG22 THR B 82 -6.069 19.408 -9.391 1.00 0.00 H new ATOM 0 HG23 THR B 82 -4.594 18.965 -8.499 1.00 0.00 H new ATOM 2786 N ALA B 83 -7.054 16.351 -11.709 1.00 0.00 N ATOM 2787 CA ALA B 83 -8.437 16.210 -12.235 1.00 0.00 C ATOM 2788 C ALA B 83 -9.166 15.168 -11.384 1.00 0.00 C ATOM 2789 O ALA B 83 -10.342 15.286 -11.106 1.00 0.00 O ATOM 2790 CB ALA B 83 -8.391 15.743 -13.693 1.00 0.00 C ATOM 0 H ALA B 83 -6.312 16.131 -12.373 1.00 0.00 H new ATOM 0 HA ALA B 83 -8.957 17.167 -12.190 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -9.407 15.641 -14.075 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -7.850 16.475 -14.293 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -7.883 14.780 -13.751 1.00 0.00 H new ATOM 2796 N CYS B 84 -8.463 14.144 -10.970 1.00 0.00 N ATOM 2797 CA CYS B 84 -9.093 13.080 -10.139 1.00 0.00 C ATOM 2798 C CYS B 84 -9.647 13.701 -8.856 1.00 0.00 C ATOM 2799 O CYS B 84 -10.673 13.296 -8.360 1.00 0.00 O ATOM 2800 CB CYS B 84 -8.046 12.023 -9.780 1.00 0.00 C ATOM 2801 SG CYS B 84 -8.875 10.529 -9.181 1.00 0.00 S ATOM 0 H CYS B 84 -7.474 14.001 -11.175 1.00 0.00 H new ATOM 0 HA CYS B 84 -9.903 12.613 -10.700 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -7.437 11.788 -10.653 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -7.372 12.409 -9.015 1.00 0.00 H new ATOM 0 HG CYS B 84 -7.985 9.631 -8.878 1.00 0.00 H new ATOM 2807 N HIS B 85 -8.985 14.685 -8.312 1.00 0.00 N ATOM 2808 CA HIS B 85 -9.505 15.315 -7.067 1.00 0.00 C ATOM 2809 C HIS B 85 -10.893 15.890 -7.343 1.00 0.00 C ATOM 2810 O HIS B 85 -11.792 15.785 -6.533 1.00 0.00 O ATOM 2811 CB HIS B 85 -8.564 16.439 -6.630 1.00 0.00 C ATOM 2812 CG HIS B 85 -9.100 17.088 -5.384 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -10.117 18.032 -5.423 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -8.764 16.953 -4.060 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -10.354 18.426 -4.159 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -9.557 17.799 -3.292 1.00 0.00 N ATOM 0 H HIS B 85 -8.115 15.077 -8.672 1.00 0.00 H new ATOM 0 HA HIS B 85 -9.565 14.569 -6.275 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -7.566 16.041 -6.445 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -8.469 17.178 -7.426 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -8.002 16.292 -3.674 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -11.097 19.159 -3.881 1.00 0.00 H new ATOM 0 HE2 HIS B 85 -9.534 17.916 -2.279 1.00 0.00 H new ATOM 2825 N GLU B 86 -11.082 16.483 -8.487 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.420 17.046 -8.815 1.00 0.00 C ATOM 2827 C GLU B 86 -13.451 15.914 -8.861 1.00 0.00 C ATOM 2828 O GLU B 86 -14.570 16.061 -8.411 1.00 0.00 O ATOM 2829 CB GLU B 86 -12.370 17.751 -10.173 1.00 0.00 C ATOM 2830 CG GLU B 86 -11.538 19.029 -10.056 1.00 0.00 C ATOM 2831 CD GLU B 86 -11.488 19.733 -11.414 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -11.922 19.136 -12.385 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -11.021 20.859 -11.458 1.00 0.00 O ATOM 0 H GLU B 86 -10.370 16.602 -9.208 1.00 0.00 H new ATOM 0 HA GLU B 86 -12.704 17.768 -8.049 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -11.935 17.089 -10.922 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -13.379 17.991 -10.507 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -11.973 19.691 -9.307 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -10.529 18.789 -9.722 1.00 0.00 H new ATOM 2840 N PHE B 87 -13.081 14.787 -9.408 1.00 0.00 N ATOM 2841 CA PHE B 87 -14.031 13.639 -9.494 1.00 0.00 C ATOM 2842 C PHE B 87 -14.002 12.867 -8.180 1.00 0.00 C ATOM 2843 O PHE B 87 -15.016 12.420 -7.682 1.00 0.00 O ATOM 2844 CB PHE B 87 -13.614 12.713 -10.640 1.00 0.00 C ATOM 2845 CG PHE B 87 -14.645 11.622 -10.812 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -14.520 10.424 -10.099 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -15.727 11.809 -11.683 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -15.476 9.413 -10.255 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -16.682 10.797 -11.839 1.00 0.00 C ATOM 2850 CZ PHE B 87 -16.556 9.599 -11.125 1.00 0.00 C ATOM 0 H PHE B 87 -12.156 14.611 -9.801 1.00 0.00 H new ATOM 0 HA PHE B 87 -15.039 14.011 -9.680 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -13.516 13.283 -11.564 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -12.638 12.275 -10.430 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -13.686 10.279 -9.428 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -15.824 12.733 -12.233 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -15.380 8.489 -9.704 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -17.516 10.940 -12.510 1.00 0.00 H new ATOM 0 HZ PHE B 87 -17.293 8.818 -11.246 1.00 0.00 H new ATOM 2860 N PHE B 88 -12.838 12.713 -7.613 1.00 0.00 N ATOM 2861 CA PHE B 88 -12.718 11.978 -6.325 1.00 0.00 C ATOM 2862 C PHE B 88 -12.873 12.988 -5.185 1.00 0.00 C ATOM 2863 O PHE B 88 -11.936 13.307 -4.481 1.00 0.00 O ATOM 2864 CB PHE B 88 -11.332 11.298 -6.255 1.00 0.00 C ATOM 2865 CG PHE B 88 -11.389 10.076 -5.356 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -11.522 10.229 -3.970 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -11.306 8.791 -5.911 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -11.573 9.101 -3.142 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -11.357 7.664 -5.082 1.00 0.00 C ATOM 2870 CZ PHE B 88 -11.491 7.819 -3.698 1.00 0.00 C ATOM 0 H PHE B 88 -11.959 13.068 -7.990 1.00 0.00 H new ATOM 0 HA PHE B 88 -13.487 11.210 -6.243 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -11.011 11.007 -7.255 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -10.592 12.003 -5.875 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -11.585 11.218 -3.540 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -11.203 8.671 -6.979 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -11.676 9.220 -2.074 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -11.293 6.675 -5.511 1.00 0.00 H new ATOM 0 HZ PHE B 88 -11.531 6.950 -3.059 1.00 0.00 H new ATOM 3114 N ARG X 104 21.265 18.826 2.555 1.00 0.00 N ATOM 3115 CA ARG X 104 20.365 17.769 2.019 1.00 0.00 C ATOM 3116 C ARG X 104 19.333 18.415 1.090 1.00 0.00 C ATOM 3117 O ARG X 104 18.940 17.849 0.083 1.00 0.00 O ATOM 3118 CB ARG X 104 19.651 17.086 3.191 1.00 0.00 C ATOM 3119 CG ARG X 104 20.655 16.243 3.984 1.00 0.00 C ATOM 3120 CD ARG X 104 19.975 15.699 5.242 1.00 0.00 C ATOM 3121 NE ARG X 104 20.961 14.919 6.066 1.00 0.00 N ATOM 3122 CZ ARG X 104 21.580 13.869 5.593 1.00 0.00 C ATOM 3123 NH1 ARG X 104 21.247 13.368 4.435 1.00 0.00 N ATOM 3124 NH2 ARG X 104 22.506 13.286 6.307 1.00 0.00 N ATOM 0 HA ARG X 104 20.941 17.030 1.461 1.00 0.00 H new ATOM 0 HB2 ARG X 104 19.197 17.835 3.840 1.00 0.00 H new ATOM 0 HB3 ARG X 104 18.844 16.455 2.820 1.00 0.00 H new ATOM 0 HG2 ARG X 104 21.022 15.420 3.370 1.00 0.00 H new ATOM 0 HG3 ARG X 104 21.520 16.848 4.257 1.00 0.00 H new ATOM 0 HD2 ARG X 104 19.569 16.522 5.830 1.00 0.00 H new ATOM 0 HD3 ARG X 104 19.136 15.061 4.964 1.00 0.00 H new ATOM 0 HE ARG X 104 21.153 15.218 7.022 1.00 0.00 H new ATOM 0 HH11 ARG X 104 20.498 13.796 3.891 1.00 0.00 H new ATOM 0 HH12 ARG X 104 21.736 12.549 4.074 1.00 0.00 H new ATOM 0 HH21 ARG X 104 22.744 13.650 7.230 1.00 0.00 H new ATOM 0 HH22 ARG X 104 22.991 12.467 5.942 1.00 0.00 H new ATOM 3138 N HIS X 105 18.896 19.601 1.404 1.00 0.00 N ATOM 3139 CA HIS X 105 17.902 20.265 0.523 1.00 0.00 C ATOM 3140 C HIS X 105 18.507 20.391 -0.878 1.00 0.00 C ATOM 3141 O HIS X 105 17.829 20.241 -1.871 1.00 0.00 O ATOM 3142 CB HIS X 105 17.557 21.659 1.078 1.00 0.00 C ATOM 3143 CG HIS X 105 18.689 22.624 0.822 1.00 0.00 C ATOM 3144 ND1 HIS X 105 19.090 22.970 -0.462 1.00 0.00 N ATOM 3145 CD2 HIS X 105 19.511 23.321 1.671 1.00 0.00 C ATOM 3146 CE1 HIS X 105 20.112 23.839 -0.349 1.00 0.00 C ATOM 3147 NE2 HIS X 105 20.406 24.084 0.929 1.00 0.00 N ATOM 0 H HIS X 105 19.182 20.134 2.225 1.00 0.00 H new ATOM 0 HA HIS X 105 16.986 19.676 0.481 1.00 0.00 H new ATOM 0 HB2 HIS X 105 16.644 22.028 0.610 1.00 0.00 H new ATOM 0 HB3 HIS X 105 17.362 21.593 2.148 1.00 0.00 H new ATOM 0 HD2 HIS X 105 19.469 23.283 2.750 1.00 0.00 H new ATOM 0 HE1 HIS X 105 20.629 24.282 -1.187 1.00 0.00 H new ATOM 0 HE2 HIS X 105 21.135 24.702 1.287 1.00 0.00 H new ATOM 3156 N LYS X 106 19.785 20.656 -0.959 1.00 0.00 N ATOM 3157 CA LYS X 106 20.441 20.792 -2.290 1.00 0.00 C ATOM 3158 C LYS X 106 20.276 19.486 -3.064 1.00 0.00 C ATOM 3159 O LYS X 106 20.218 19.474 -4.279 1.00 0.00 O ATOM 3160 CB LYS X 106 21.927 21.108 -2.110 1.00 0.00 C ATOM 3161 CG LYS X 106 22.577 21.289 -3.482 1.00 0.00 C ATOM 3162 CD LYS X 106 24.039 21.704 -3.308 1.00 0.00 C ATOM 3163 CE LYS X 106 24.660 21.968 -4.680 1.00 0.00 C ATOM 3164 NZ LYS X 106 25.949 22.694 -4.507 1.00 0.00 N ATOM 0 H LYS X 106 20.403 20.784 -0.158 1.00 0.00 H new ATOM 0 HA LYS X 106 19.975 21.607 -2.845 1.00 0.00 H new ATOM 0 HB2 LYS X 106 22.048 22.014 -1.516 1.00 0.00 H new ATOM 0 HB3 LYS X 106 22.418 20.301 -1.566 1.00 0.00 H new ATOM 0 HG2 LYS X 106 22.517 20.360 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS X 106 22.039 22.046 -4.053 1.00 0.00 H new ATOM 0 HD2 LYS X 106 24.103 22.599 -2.690 1.00 0.00 H new ATOM 0 HD3 LYS X 106 24.592 20.919 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS X 106 24.827 21.026 -5.203 1.00 0.00 H new ATOM 0 HE3 LYS X 106 23.978 22.557 -5.293 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 26.373 22.875 -5.439 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 25.776 23.599 -4.024 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 26.599 22.116 -3.937 1.00 0.00 H new ATOM 3178 N LYS X 107 20.180 18.383 -2.378 1.00 0.00 N ATOM 3179 CA LYS X 107 20.000 17.097 -3.099 1.00 0.00 C ATOM 3180 C LYS X 107 18.719 17.211 -3.920 1.00 0.00 C ATOM 3181 O LYS X 107 18.652 16.768 -5.047 1.00 0.00 O ATOM 3182 CB LYS X 107 19.860 15.947 -2.093 1.00 0.00 C ATOM 3183 CG LYS X 107 19.700 14.622 -2.843 1.00 0.00 C ATOM 3184 CD LYS X 107 19.559 13.477 -1.838 1.00 0.00 C ATOM 3185 CE LYS X 107 19.473 12.148 -2.588 1.00 0.00 C ATOM 3186 NZ LYS X 107 19.260 11.040 -1.614 1.00 0.00 N ATOM 0 H LYS X 107 20.218 18.317 -1.361 1.00 0.00 H new ATOM 0 HA LYS X 107 20.859 16.894 -3.739 1.00 0.00 H new ATOM 0 HB2 LYS X 107 20.737 15.907 -1.447 1.00 0.00 H new ATOM 0 HB3 LYS X 107 18.998 16.118 -1.449 1.00 0.00 H new ATOM 0 HG2 LYS X 107 18.823 14.662 -3.489 1.00 0.00 H new ATOM 0 HG3 LYS X 107 20.563 14.450 -3.487 1.00 0.00 H new ATOM 0 HD2 LYS X 107 20.411 13.469 -1.158 1.00 0.00 H new ATOM 0 HD3 LYS X 107 18.667 13.621 -1.229 1.00 0.00 H new ATOM 0 HE2 LYS X 107 18.654 12.177 -3.307 1.00 0.00 H new ATOM 0 HE3 LYS X 107 20.389 11.978 -3.154 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 19.201 10.136 -2.124 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 20.055 11.009 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 18.375 11.201 -1.093 1.00 0.00 H new ATOM 3200 N LEU X 108 17.707 17.817 -3.360 1.00 0.00 N ATOM 3201 CA LEU X 108 16.416 17.987 -4.097 1.00 0.00 C ATOM 3202 C LEU X 108 16.615 18.910 -5.311 1.00 0.00 C ATOM 3203 O LEU X 108 15.951 18.774 -6.320 1.00 0.00 O ATOM 3204 CB LEU X 108 15.373 18.596 -3.151 1.00 0.00 C ATOM 3205 CG LEU X 108 14.069 18.903 -3.905 1.00 0.00 C ATOM 3206 CD1 LEU X 108 13.534 17.631 -4.579 1.00 0.00 C ATOM 3207 CD2 LEU X 108 13.030 19.428 -2.908 1.00 0.00 C ATOM 0 H LEU X 108 17.717 18.205 -2.417 1.00 0.00 H new ATOM 0 HA LEU X 108 16.072 17.014 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU X 108 15.171 17.906 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU X 108 15.767 19.511 -2.708 1.00 0.00 H new ATOM 0 HG LEU X 108 14.264 19.652 -4.672 1.00 0.00 H new ATOM 0 HD11 LEU X 108 12.610 17.861 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU X 108 14.274 17.255 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU X 108 13.337 16.873 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU X 108 12.101 19.649 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU X 108 12.844 18.673 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU X 108 13.405 20.336 -2.436 1.00 0.00 H new ATOM 3219 N MET X 109 17.497 19.865 -5.210 1.00 0.00 N ATOM 3220 CA MET X 109 17.714 20.815 -6.343 1.00 0.00 C ATOM 3221 C MET X 109 18.163 20.067 -7.604 1.00 0.00 C ATOM 3222 O MET X 109 17.989 20.553 -8.703 1.00 0.00 O ATOM 3223 CB MET X 109 18.769 21.867 -5.965 1.00 0.00 C ATOM 3224 CG MET X 109 18.134 22.946 -5.082 1.00 0.00 C ATOM 3225 SD MET X 109 17.355 22.164 -3.645 1.00 0.00 S ATOM 3226 CE MET X 109 15.678 22.809 -3.870 1.00 0.00 C ATOM 0 H MET X 109 18.080 20.031 -4.390 1.00 0.00 H new ATOM 0 HA MET X 109 16.767 21.314 -6.549 1.00 0.00 H new ATOM 0 HB2 MET X 109 19.596 21.392 -5.437 1.00 0.00 H new ATOM 0 HB3 MET X 109 19.184 22.319 -6.866 1.00 0.00 H new ATOM 0 HG2 MET X 109 18.892 23.658 -4.756 1.00 0.00 H new ATOM 0 HG3 MET X 109 17.393 23.508 -5.651 1.00 0.00 H new ATOM 0 HE1 MET X 109 15.039 22.451 -3.063 1.00 0.00 H new ATOM 0 HE2 MET X 109 15.703 23.899 -3.857 1.00 0.00 H new ATOM 0 HE3 MET X 109 15.282 22.466 -4.826 1.00 0.00 H new ATOM 3236 N PHE X 110 18.757 18.910 -7.476 1.00 0.00 N ATOM 3237 CA PHE X 110 19.217 18.195 -8.697 1.00 0.00 C ATOM 3238 C PHE X 110 18.069 18.143 -9.713 1.00 0.00 C ATOM 3239 O PHE X 110 18.281 18.251 -10.903 1.00 0.00 O ATOM 3240 CB PHE X 110 19.723 16.785 -8.323 1.00 0.00 C ATOM 3241 CG PHE X 110 18.586 15.779 -8.212 1.00 0.00 C ATOM 3242 CD1 PHE X 110 17.444 16.070 -7.452 1.00 0.00 C ATOM 3243 CD2 PHE X 110 18.689 14.541 -8.863 1.00 0.00 C ATOM 3244 CE1 PHE X 110 16.412 15.130 -7.347 1.00 0.00 C ATOM 3245 CE2 PHE X 110 17.657 13.603 -8.755 1.00 0.00 C ATOM 3246 CZ PHE X 110 16.518 13.897 -7.998 1.00 0.00 C ATOM 0 H PHE X 110 18.941 18.436 -6.591 1.00 0.00 H new ATOM 0 HA PHE X 110 20.051 18.728 -9.154 1.00 0.00 H new ATOM 0 HB2 PHE X 110 20.435 16.445 -9.075 1.00 0.00 H new ATOM 0 HB3 PHE X 110 20.258 16.832 -7.375 1.00 0.00 H new ATOM 0 HD1 PHE X 110 17.361 17.021 -6.947 1.00 0.00 H new ATOM 0 HD2 PHE X 110 19.567 14.311 -9.449 1.00 0.00 H new ATOM 0 HE1 PHE X 110 15.533 15.357 -6.762 1.00 0.00 H new ATOM 0 HE2 PHE X 110 17.740 12.650 -9.257 1.00 0.00 H new ATOM 0 HZ PHE X 110 15.721 13.172 -7.916 1.00 0.00 H new ATOM 3256 N LYS X 111 16.855 18.005 -9.256 1.00 0.00 N ATOM 3257 CA LYS X 111 15.702 17.979 -10.202 1.00 0.00 C ATOM 3258 C LYS X 111 15.358 19.407 -10.646 1.00 0.00 C ATOM 3259 O LYS X 111 14.969 19.636 -11.774 1.00 0.00 O ATOM 3260 CB LYS X 111 14.485 17.323 -9.513 1.00 0.00 C ATOM 3261 CG LYS X 111 13.662 16.487 -10.526 1.00 0.00 C ATOM 3262 CD LYS X 111 14.086 15.009 -10.481 1.00 0.00 C ATOM 3263 CE LYS X 111 15.579 14.859 -10.804 1.00 0.00 C ATOM 3264 NZ LYS X 111 15.939 13.414 -10.781 1.00 0.00 N ATOM 0 H LYS X 111 16.611 17.909 -8.270 1.00 0.00 H new ATOM 0 HA LYS X 111 15.968 17.396 -11.083 1.00 0.00 H new ATOM 0 HB2 LYS X 111 14.824 16.684 -8.698 1.00 0.00 H new ATOM 0 HB3 LYS X 111 13.852 18.093 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS X 111 12.600 16.573 -10.298 1.00 0.00 H new ATOM 0 HG3 LYS X 111 13.805 16.881 -11.532 1.00 0.00 H new ATOM 0 HD2 LYS X 111 13.880 14.597 -9.493 1.00 0.00 H new ATOM 0 HD3 LYS X 111 13.496 14.435 -11.195 1.00 0.00 H new ATOM 0 HE2 LYS X 111 15.797 15.285 -11.783 1.00 0.00 H new ATOM 0 HE3 LYS X 111 16.178 15.408 -10.077 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 16.555 13.197 -11.590 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 16.439 13.195 -9.896 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 15.074 12.840 -10.841 1.00 0.00 H new ATOM 3278 N THR X 112 15.488 20.367 -9.772 1.00 0.00 N ATOM 3279 CA THR X 112 15.157 21.765 -10.165 1.00 0.00 C ATOM 3280 C THR X 112 16.028 22.156 -11.356 1.00 0.00 C ATOM 3281 O THR X 112 15.606 22.881 -12.235 1.00 0.00 O ATOM 3282 CB THR X 112 15.430 22.715 -8.995 1.00 0.00 C ATOM 3283 OG1 THR X 112 16.781 22.578 -8.577 1.00 0.00 O ATOM 3284 CG2 THR X 112 14.497 22.384 -7.829 1.00 0.00 C ATOM 0 H THR X 112 15.806 20.245 -8.811 1.00 0.00 H new ATOM 0 HA THR X 112 14.103 21.833 -10.434 1.00 0.00 H new ATOM 0 HB THR X 112 15.251 23.741 -9.317 1.00 0.00 H new ATOM 0 HG1 THR X 112 17.130 21.713 -8.877 1.00 0.00 H new ATOM 0 HG21 THR X 112 14.696 23.063 -7.000 1.00 0.00 H new ATOM 0 HG22 THR X 112 13.461 22.496 -8.149 1.00 0.00 H new ATOM 0 HG23 THR X 112 14.668 21.357 -7.506 1.00 0.00 H new ATOM 3292 N GLU X 113 17.236 21.668 -11.400 1.00 0.00 N ATOM 3293 CA GLU X 113 18.127 21.996 -12.544 1.00 0.00 C ATOM 3294 CB GLU X 113 17.584 21.309 -13.799 1.00 0.00 C ATOM 3295 CG GLU X 113 17.598 19.788 -13.592 1.00 0.00 C ATOM 3296 CD GLU X 113 19.031 19.267 -13.739 1.00 0.00 C ATOM 3297 OE1 GLU X 113 19.728 19.748 -14.618 1.00 0.00 O ATOM 3298 OE2 GLU X 113 19.405 18.395 -12.973 1.00 0.00 O ATOM 0 H GLU X 113 17.644 21.056 -10.693 1.00 0.00 H new ATOM 0 HB2 GLU X 113 16.569 21.650 -14.004 1.00 0.00 H new ATOM 0 HB3 GLU X 113 18.191 21.575 -14.665 1.00 0.00 H new ATOM 0 HG2 GLU X 113 17.209 19.541 -12.604 1.00 0.00 H new ATOM 0 HG3 GLU X 113 16.947 19.305 -14.321 1.00 0.00 H new ATOM 3493 N ARG Y 104 -12.334 16.462 -26.171 1.00 0.00 N ATOM 3494 CA ARG Y 104 -12.005 15.909 -24.829 1.00 0.00 C ATOM 3495 C ARG Y 104 -10.577 16.321 -24.454 1.00 0.00 C ATOM 3496 O ARG Y 104 -10.275 16.597 -23.304 1.00 0.00 O ATOM 3497 CB ARG Y 104 -12.108 14.382 -24.886 1.00 0.00 C ATOM 3498 CG ARG Y 104 -13.578 13.973 -25.027 1.00 0.00 C ATOM 3499 CD ARG Y 104 -13.662 12.464 -25.267 1.00 0.00 C ATOM 3500 NE ARG Y 104 -15.093 12.051 -25.465 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -16.000 12.246 -24.546 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -15.661 12.666 -23.359 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -17.249 11.973 -24.802 1.00 0.00 N ATOM 0 HA ARG Y 104 -12.698 16.293 -24.081 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -11.531 13.999 -25.728 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -11.683 13.944 -23.983 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -14.130 14.241 -24.126 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -14.039 14.511 -25.855 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -13.073 12.194 -26.144 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -13.235 11.929 -24.419 1.00 0.00 H new ATOM 0 HE ARG Y 104 -15.364 11.606 -26.342 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -14.681 12.845 -23.142 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -16.376 12.816 -22.647 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -17.514 11.609 -25.717 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -17.961 12.124 -24.087 1.00 0.00 H new ATOM 3517 N HIS Y 105 -9.693 16.383 -25.410 1.00 0.00 N ATOM 3518 CA HIS Y 105 -8.301 16.791 -25.086 1.00 0.00 C ATOM 3519 C HIS Y 105 -8.339 18.183 -24.447 1.00 0.00 C ATOM 3520 O HIS Y 105 -7.590 18.478 -23.541 1.00 0.00 O ATOM 3521 CB HIS Y 105 -7.451 16.824 -26.369 1.00 0.00 C ATOM 3522 CG HIS Y 105 -7.801 18.034 -27.201 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -7.592 19.331 -26.748 1.00 0.00 N ATOM 3524 CD2 HIS Y 105 -8.343 18.161 -28.457 1.00 0.00 C ATOM 3525 CE1 HIS Y 105 -8.001 20.172 -27.716 1.00 0.00 C ATOM 3526 NE2 HIS Y 105 -8.466 19.509 -28.776 1.00 0.00 N ATOM 0 H HIS Y 105 -9.872 16.171 -26.391 1.00 0.00 H new ATOM 0 HA HIS Y 105 -7.855 16.076 -24.394 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -6.392 16.846 -26.111 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -7.619 15.916 -26.948 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -8.629 17.340 -29.098 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -7.958 21.249 -27.644 1.00 0.00 H new ATOM 0 HE2 HIS Y 105 -8.835 19.907 -29.640 1.00 0.00 H new ATOM 3535 N LYS Y 106 -9.218 19.032 -24.912 1.00 0.00 N ATOM 3536 CA LYS Y 106 -9.312 20.406 -24.339 1.00 0.00 C ATOM 3537 C LYS Y 106 -9.644 20.304 -22.852 1.00 0.00 C ATOM 3538 O LYS Y 106 -9.272 21.150 -22.061 1.00 0.00 O ATOM 3539 CB LYS Y 106 -10.398 21.205 -25.064 1.00 0.00 C ATOM 3540 CG LYS Y 106 -10.461 22.619 -24.485 1.00 0.00 C ATOM 3541 CD LYS Y 106 -11.451 23.455 -25.293 1.00 0.00 C ATOM 3542 CE LYS Y 106 -11.452 24.891 -24.768 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -12.182 25.767 -25.727 1.00 0.00 N ATOM 0 H LYS Y 106 -9.876 18.832 -25.665 1.00 0.00 H new ATOM 0 HA LYS Y 106 -8.359 20.920 -24.467 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -10.182 21.247 -26.132 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -11.363 20.711 -24.953 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -10.768 22.582 -23.440 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -9.473 23.079 -24.512 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -11.178 23.442 -26.348 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -12.451 23.028 -25.217 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -11.927 24.931 -23.788 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -10.429 25.245 -24.642 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -12.184 26.745 -25.372 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -11.711 25.736 -26.653 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -13.162 25.433 -25.826 1.00 0.00 H new ATOM 3557 N LYS Y 107 -10.325 19.269 -22.452 1.00 0.00 N ATOM 3558 CA LYS Y 107 -10.648 19.127 -21.010 1.00 0.00 C ATOM 3559 C LYS Y 107 -9.327 19.096 -20.247 1.00 0.00 C ATOM 3560 O LYS Y 107 -9.194 19.677 -19.192 1.00 0.00 O ATOM 3561 CB LYS Y 107 -11.402 17.816 -20.771 1.00 0.00 C ATOM 3562 CG LYS Y 107 -11.763 17.693 -19.287 1.00 0.00 C ATOM 3563 CD LYS Y 107 -12.516 16.383 -19.052 1.00 0.00 C ATOM 3564 CE LYS Y 107 -12.928 16.289 -17.582 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -13.597 14.981 -17.334 1.00 0.00 N ATOM 0 H LYS Y 107 -10.669 18.522 -23.056 1.00 0.00 H new ATOM 0 HA LYS Y 107 -11.274 19.954 -20.676 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -12.306 17.789 -21.379 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -10.787 16.970 -21.077 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -10.859 17.719 -18.679 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -12.378 18.539 -18.980 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -13.398 16.338 -19.692 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -11.885 15.535 -19.319 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -12.052 16.388 -16.941 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -13.602 17.108 -17.330 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -13.877 14.918 -16.334 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -14.442 14.904 -17.935 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -12.940 14.207 -17.559 1.00 0.00 H new ATOM 3579 N LEU Y 108 -8.347 18.422 -20.789 1.00 0.00 N ATOM 3580 CA LEU Y 108 -7.012 18.348 -20.118 1.00 0.00 C ATOM 3581 C LEU Y 108 -6.357 19.739 -20.084 1.00 0.00 C ATOM 3582 O LEU Y 108 -5.609 20.061 -19.181 1.00 0.00 O ATOM 3583 CB LEU Y 108 -6.118 17.368 -20.889 1.00 0.00 C ATOM 3584 CG LEU Y 108 -4.691 17.365 -20.315 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -4.721 17.003 -18.822 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -3.845 16.332 -21.076 1.00 0.00 C ATOM 0 H LEU Y 108 -8.413 17.916 -21.672 1.00 0.00 H new ATOM 0 HA LEU Y 108 -7.140 18.000 -19.093 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -6.539 16.364 -20.834 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -6.091 17.645 -21.943 1.00 0.00 H new ATOM 0 HG LEU Y 108 -4.256 18.358 -20.428 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -3.705 17.004 -18.427 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -5.321 17.735 -18.282 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -5.158 16.012 -18.697 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -2.832 16.324 -20.674 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -4.288 15.343 -20.961 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -3.814 16.595 -22.133 1.00 0.00 H new ATOM 3598 N MET Y 109 -6.608 20.553 -21.072 1.00 0.00 N ATOM 3599 CA MET Y 109 -5.979 21.909 -21.109 1.00 0.00 C ATOM 3600 C MET Y 109 -6.379 22.728 -19.876 1.00 0.00 C ATOM 3601 O MET Y 109 -5.686 23.649 -19.495 1.00 0.00 O ATOM 3602 CB MET Y 109 -6.397 22.662 -22.382 1.00 0.00 C ATOM 3603 CG MET Y 109 -5.580 22.161 -23.577 1.00 0.00 C ATOM 3604 SD MET Y 109 -5.716 20.357 -23.684 1.00 0.00 S ATOM 3605 CE MET Y 109 -3.953 19.952 -23.604 1.00 0.00 C ATOM 0 H MET Y 109 -7.222 20.340 -21.858 1.00 0.00 H new ATOM 0 HA MET Y 109 -4.897 21.776 -21.110 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -7.460 22.514 -22.570 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -6.243 23.733 -22.249 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -5.942 22.619 -24.497 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -4.536 22.452 -23.465 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -3.821 18.877 -23.727 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -3.423 20.477 -24.399 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -3.553 20.258 -22.637 1.00 0.00 H new ATOM 3615 N PHE Y 110 -7.493 22.437 -19.258 1.00 0.00 N ATOM 3616 CA PHE Y 110 -7.899 23.249 -18.080 1.00 0.00 C ATOM 3617 C PHE Y 110 -6.721 23.357 -17.105 1.00 0.00 C ATOM 3618 O PHE Y 110 -6.517 24.376 -16.478 1.00 0.00 O ATOM 3619 CB PHE Y 110 -9.142 22.623 -17.413 1.00 0.00 C ATOM 3620 CG PHE Y 110 -8.777 21.498 -16.455 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -7.915 20.466 -16.856 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -9.327 21.481 -15.163 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -7.604 19.428 -15.968 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -9.017 20.441 -14.281 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -8.155 19.415 -14.682 1.00 0.00 C ATOM 0 H PHE Y 110 -8.130 21.683 -19.515 1.00 0.00 H new ATOM 0 HA PHE Y 110 -8.169 24.257 -18.396 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -9.689 23.395 -16.872 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -9.811 22.239 -18.183 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -7.491 20.472 -17.849 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -9.991 22.273 -14.850 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -6.938 18.636 -16.277 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -9.444 20.430 -13.289 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -7.915 18.613 -13.999 1.00 0.00 H new ATOM 3635 N LYS Y 111 -5.931 22.326 -16.989 1.00 0.00 N ATOM 3636 CA LYS Y 111 -4.758 22.391 -16.073 1.00 0.00 C ATOM 3637 C LYS Y 111 -3.611 23.154 -16.748 1.00 0.00 C ATOM 3638 O LYS Y 111 -2.855 23.852 -16.101 1.00 0.00 O ATOM 3639 CB LYS Y 111 -4.306 20.958 -15.710 1.00 0.00 C ATOM 3640 CG LYS Y 111 -3.792 20.902 -14.248 1.00 0.00 C ATOM 3641 CD LYS Y 111 -4.907 20.438 -13.301 1.00 0.00 C ATOM 3642 CE LYS Y 111 -6.118 21.381 -13.377 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -7.161 20.903 -12.428 1.00 0.00 N ATOM 0 H LYS Y 111 -6.046 21.444 -17.487 1.00 0.00 H new ATOM 0 HA LYS Y 111 -5.039 22.917 -15.161 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -5.138 20.266 -15.835 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -3.518 20.636 -16.391 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -2.944 20.221 -14.181 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -3.435 21.886 -13.944 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -5.213 19.425 -13.562 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -4.531 20.404 -12.279 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -5.819 22.399 -13.127 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -6.514 21.405 -14.392 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -7.553 21.713 -11.906 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -7.922 20.432 -12.957 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -6.738 20.230 -11.757 1.00 0.00 H new ATOM 3657 N THR Y 112 -3.470 23.028 -18.039 1.00 0.00 N ATOM 3658 CA THR Y 112 -2.360 23.746 -18.726 1.00 0.00 C ATOM 3659 C THR Y 112 -2.535 25.242 -18.493 1.00 0.00 C ATOM 3660 O THR Y 112 -1.576 25.978 -18.368 1.00 0.00 O ATOM 3661 CB THR Y 112 -2.402 23.456 -20.229 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -3.684 23.790 -20.740 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -2.116 21.974 -20.476 1.00 0.00 C ATOM 0 H THR Y 112 -4.069 22.465 -18.643 1.00 0.00 H new ATOM 0 HA THR Y 112 -1.402 23.411 -18.329 1.00 0.00 H new ATOM 0 HB THR Y 112 -1.645 24.055 -20.735 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -4.321 23.869 -19.999 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -2.147 21.771 -21.546 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -1.129 21.724 -20.087 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -2.869 21.369 -19.970 1.00 0.00 H new ATOM 3671 N GLU Y 113 -3.755 25.694 -18.408 1.00 0.00 N ATOM 3672 CA GLU Y 113 -3.993 27.139 -18.155 1.00 0.00 C ATOM 3673 CB GLU Y 113 -3.562 27.459 -16.723 1.00 0.00 C ATOM 3674 CG GLU Y 113 -4.414 26.647 -15.739 1.00 0.00 C ATOM 3675 CD GLU Y 113 -5.803 27.281 -15.625 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -5.873 28.499 -15.591 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -6.770 26.541 -15.569 1.00 0.00 O ATOM 0 H GLU Y 113 -4.596 25.124 -18.503 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -2.507 27.222 -16.588 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -3.677 28.525 -16.527 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -4.500 25.616 -16.081 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -3.933 26.620 -14.761 1.00 0.00 H new