USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 923 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 13 HIS : no HE2:sc= -3.51! C(o=-4!,f=-4.1!) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.06 K(o=-4,f=-5.1) USER MOD Set 1.3: A 117 GLN : amide:sc= -0.412 K(o=-4,f=-5.4!) USER MOD Set 2.1: A 25 TYR OH : rot 24:sc= 0.385 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -2.76 K(o=-1.8,f=-7.6!) USER MOD Set 2.3: A 79 THR OG1 : rot 86:sc= 0.552 USER MOD Set 3.1: A 63 ASN : amide:sc= -0.0378 X(o=-0.46,f=-0.052) USER MOD Set 3.2: A 73 LYS NZ :NH3+ 166:sc= -0.42 (180deg=-0.0869) USER MOD Set 4.1: A 52 SER OG : rot -92:sc= 0.807 USER MOD Set 4.2: A 61 ASN : amide:sc= -0.565 X(o=0.24,f=-0.15) USER MOD Set 5.1: A 6 TYR OH : rot 15:sc= 0.189 USER MOD Set 5.2: A 54 LYS NZ :NH3+ 154:sc= 0.2 (180deg=-0.092) USER MOD Set 6.1: A 44 THR OG1 : rot 167:sc= 0.743 USER MOD Set 6.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 19 GLN : amide:sc= -0.0646 X(o=-0.065,f=-0.076) USER MOD Set 7.2: A 28 SER OG : rot 180:sc= 0 USER MOD Set 8.1: A 4 SER OG : rot 180:sc= 0 USER MOD Set 8.2: A 8 HIS :FLIP no HD1:sc= -0.0765 F(o=-0.68,f=-0.077) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 7 THR OG1 : rot -37:sc= 0.0712 USER MOD Single : A 11 THR OG1 : rot 59:sc= 0.888 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot -49:sc= 0.367 USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= -0.0176 (180deg=-0.162) USER MOD Single : A 30 MET CE :methyl 162:sc= -0.0671 (180deg=-1.45) USER MOD Single : A 36 THR OG1 : rot 18:sc= 1.22 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0548 X(o=-0.055,f=-0.055) USER MOD Single : A 68 ASN : amide:sc= -0.0205 X(o=-0.021,f=0.13) USER MOD Single : A 72 SER OG : rot 170:sc= 0.077 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -120:sc= 0.801 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0594) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.0162 F(o=-0.8,f=-0.016) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 94 TYR OH : rot -100:sc= 0.00631 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc=-0.00967 K(o=-0.0097,f=-0.98) USER MOD Single : A 109 ASN : amide:sc= -0.0821 X(o=-0.082,f=0.072) USER MOD Single : A 114 HIS :FLIP no HD1:sc= -1.18 F(o=-2.5!,f=-1.2) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 3.951 -4.619 2.504 1.00 0.00 N ATOM 33 CA ASN A 3 4.757 -4.684 3.681 1.00 0.00 C ATOM 34 C ASN A 3 5.228 -3.287 3.905 1.00 0.00 C ATOM 35 O ASN A 3 5.919 -3.012 4.881 1.00 0.00 O ATOM 36 CB ASN A 3 5.985 -5.602 3.550 1.00 0.00 C ATOM 37 CG ASN A 3 5.529 -7.056 3.452 1.00 0.00 C ATOM 38 OD1 ASN A 3 4.910 -7.490 2.474 1.00 0.00 O ATOM 39 ND2 ASN A 3 5.879 -7.834 4.519 1.00 0.00 N ATOM 0 HA ASN A 3 4.166 -5.099 4.498 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.562 -5.331 2.666 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.641 -5.473 4.411 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.629 -8.823 4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.390 -7.426 5.302 1.00 0.00 H new ATOM 46 N SER A 4 4.854 -2.374 2.981 1.00 0.00 N ATOM 47 CA SER A 4 5.004 -0.959 3.171 1.00 0.00 C ATOM 48 C SER A 4 3.714 -0.453 3.733 1.00 0.00 C ATOM 49 O SER A 4 3.682 0.546 4.451 1.00 0.00 O ATOM 50 CB SER A 4 5.294 -0.217 1.856 1.00 0.00 C ATOM 51 OG SER A 4 5.523 1.162 2.099 1.00 0.00 O ATOM 0 H SER A 4 4.439 -2.626 2.084 1.00 0.00 H new ATOM 0 HA SER A 4 5.849 -0.780 3.835 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.165 -0.655 1.370 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.454 -0.336 1.172 1.00 0.00 H new ATOM 0 HG SER A 4 5.707 1.617 1.251 1.00 0.00 H new ATOM 57 N ARG A 5 2.608 -1.156 3.399 1.00 0.00 N ATOM 58 CA ARG A 5 1.274 -0.791 3.788 1.00 0.00 C ATOM 59 C ARG A 5 1.090 -1.110 5.243 1.00 0.00 C ATOM 60 O ARG A 5 0.401 -0.375 5.953 1.00 0.00 O ATOM 61 CB ARG A 5 0.222 -1.547 2.955 1.00 0.00 C ATOM 62 CG ARG A 5 -1.022 -0.739 2.555 1.00 0.00 C ATOM 63 CD ARG A 5 -1.914 -0.293 3.713 1.00 0.00 C ATOM 64 NE ARG A 5 -3.161 0.254 3.111 1.00 0.00 N ATOM 65 CZ ARG A 5 -3.743 1.417 3.535 1.00 0.00 C ATOM 66 NH1 ARG A 5 -3.204 2.146 4.554 1.00 0.00 N ATOM 67 NH2 ARG A 5 -4.894 1.845 2.938 1.00 0.00 N ATOM 0 H ARG A 5 2.645 -2.008 2.839 1.00 0.00 H new ATOM 0 HA ARG A 5 1.137 0.276 3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.701 -1.914 2.047 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.102 -2.421 3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.699 0.145 2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.619 -1.339 1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.139 -1.131 4.373 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.413 0.463 4.318 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.601 -0.261 2.349 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.352 1.826 5.014 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.653 3.011 4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.311 1.299 2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.337 2.711 3.246 1.00 0.00 H new ATOM 81 N TYR A 6 1.738 -2.210 5.702 1.00 0.00 N ATOM 82 CA TYR A 6 2.014 -2.534 7.045 1.00 0.00 C ATOM 83 C TYR A 6 2.563 -1.377 7.788 1.00 0.00 C ATOM 84 O TYR A 6 1.968 -0.978 8.779 1.00 0.00 O ATOM 85 CB TYR A 6 3.116 -3.586 7.036 1.00 0.00 C ATOM 86 CG TYR A 6 3.371 -4.004 8.416 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.362 -4.661 9.058 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.559 -3.759 9.063 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.539 -5.118 10.339 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.738 -4.192 10.352 1.00 0.00 C ATOM 91 CZ TYR A 6 3.725 -4.874 10.997 1.00 0.00 C ATOM 92 OH TYR A 6 3.875 -5.273 12.338 1.00 0.00 O ATOM 0 H TYR A 6 2.090 -2.920 5.061 1.00 0.00 H new ATOM 0 HA TYR A 6 1.088 -2.865 7.516 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.818 -4.442 6.430 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.024 -3.180 6.589 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.420 -4.822 8.555 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.350 -3.226 8.557 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.750 -5.668 10.831 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.670 -4.000 10.862 1.00 0.00 H new ATOM 0 HH TYR A 6 3.163 -5.904 12.573 1.00 0.00 H new ATOM 102 N THR A 7 3.723 -0.841 7.345 1.00 0.00 N ATOM 103 CA THR A 7 4.381 0.227 8.019 1.00 0.00 C ATOM 104 C THR A 7 3.738 1.581 7.908 1.00 0.00 C ATOM 105 O THR A 7 4.123 2.474 8.654 1.00 0.00 O ATOM 106 CB THR A 7 5.837 0.406 7.722 1.00 0.00 C ATOM 107 OG1 THR A 7 6.026 1.214 6.570 1.00 0.00 O ATOM 108 CG2 THR A 7 6.565 -0.931 7.555 1.00 0.00 C ATOM 0 H THR A 7 4.205 -1.160 6.505 1.00 0.00 H new ATOM 0 HA THR A 7 4.268 -0.143 9.038 1.00 0.00 H new ATOM 0 HB THR A 7 6.272 0.912 8.584 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.331 1.010 5.910 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.618 -0.748 7.341 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.477 -1.510 8.474 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.119 -1.488 6.731 1.00 0.00 H new ATOM 116 N HIS A 8 2.755 1.786 7.002 1.00 0.00 N ATOM 117 CA HIS A 8 1.994 3.013 6.982 1.00 0.00 C ATOM 118 C HIS A 8 0.987 3.005 8.093 1.00 0.00 C ATOM 119 O HIS A 8 0.807 4.005 8.795 1.00 0.00 O ATOM 120 CB HIS A 8 1.246 3.248 5.663 1.00 0.00 C ATOM 121 CG HIS A 8 2.190 3.477 4.521 1.00 0.00 C ATOM 122 ND1 HIS A 8 3.541 3.408 4.466 1.00 0.00 N flip ATOM 123 CD2 HIS A 8 1.752 3.842 3.279 1.00 0.00 C flip ATOM 124 CE1 HIS A 8 3.907 3.739 3.189 1.00 0.00 C flip ATOM 125 NE2 HIS A 8 2.809 3.997 2.493 1.00 0.00 N flip ATOM 0 H HIS A 8 2.486 1.110 6.287 1.00 0.00 H new ATOM 0 HA HIS A 8 2.719 3.818 7.102 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.614 2.387 5.445 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.586 4.109 5.768 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.721 3.981 2.987 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.918 3.782 2.813 1.00 0.00 H new ATOM 0 HE2 HIS A 8 2.781 4.271 1.511 1.00 0.00 H new ATOM 134 N PHE A 9 0.344 1.828 8.276 1.00 0.00 N ATOM 135 CA PHE A 9 -0.538 1.505 9.371 1.00 0.00 C ATOM 136 C PHE A 9 0.232 1.546 10.658 1.00 0.00 C ATOM 137 O PHE A 9 -0.296 1.974 11.675 1.00 0.00 O ATOM 138 CB PHE A 9 -1.197 0.119 9.136 1.00 0.00 C ATOM 139 CG PHE A 9 -1.593 -0.681 10.348 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.610 -0.280 11.194 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.045 -1.943 10.528 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.045 -1.114 12.204 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.515 -2.804 11.507 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.522 -2.376 12.355 1.00 0.00 C ATOM 0 H PHE A 9 0.446 1.054 7.619 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.340 2.240 9.431 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.089 0.270 8.528 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.507 -0.485 8.546 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.066 0.690 11.064 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.234 -2.262 9.891 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.808 -0.770 12.886 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.101 -3.796 11.607 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.894 -3.029 13.130 1.00 0.00 H new ATOM 154 N LEU A 10 1.505 1.117 10.632 1.00 0.00 N ATOM 155 CA LEU A 10 2.400 1.133 11.748 1.00 0.00 C ATOM 156 C LEU A 10 2.912 2.496 12.116 1.00 0.00 C ATOM 157 O LEU A 10 3.287 2.706 13.267 1.00 0.00 O ATOM 158 CB LEU A 10 3.659 0.322 11.449 1.00 0.00 C ATOM 159 CG LEU A 10 4.208 -0.324 12.703 1.00 0.00 C ATOM 160 CD1 LEU A 10 3.747 -1.768 12.796 1.00 0.00 C ATOM 161 CD2 LEU A 10 5.708 -0.191 12.904 1.00 0.00 C ATOM 0 H LEU A 10 1.934 0.738 9.787 1.00 0.00 H new ATOM 0 HA LEU A 10 1.799 0.726 12.561 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.432 -0.447 10.711 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.417 0.971 11.010 1.00 0.00 H new ATOM 0 HG LEU A 10 3.789 0.246 13.532 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.149 -2.221 13.702 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.658 -1.801 12.826 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.103 -2.320 11.926 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.996 -0.688 13.830 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.230 -0.654 12.066 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.975 0.864 12.960 1.00 0.00 H new ATOM 173 N THR A 11 2.983 3.445 11.156 1.00 0.00 N ATOM 174 CA THR A 11 3.409 4.782 11.470 1.00 0.00 C ATOM 175 C THR A 11 2.322 5.379 12.277 1.00 0.00 C ATOM 176 O THR A 11 2.565 5.905 13.362 1.00 0.00 O ATOM 177 CB THR A 11 3.703 5.664 10.274 1.00 0.00 C ATOM 178 OG1 THR A 11 4.784 5.111 9.539 1.00 0.00 O ATOM 179 CG2 THR A 11 4.105 7.087 10.712 1.00 0.00 C ATOM 0 H THR A 11 2.749 3.290 10.175 1.00 0.00 H new ATOM 0 HA THR A 11 4.361 4.718 11.996 1.00 0.00 H new ATOM 0 HB THR A 11 2.799 5.718 9.667 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.549 4.207 9.242 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.309 7.695 9.831 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.291 7.536 11.282 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.999 7.037 11.334 1.00 0.00 H new ATOM 187 N GLN A 12 1.093 5.286 11.753 1.00 0.00 N ATOM 188 CA GLN A 12 0.008 5.982 12.358 1.00 0.00 C ATOM 189 C GLN A 12 -0.661 5.265 13.503 1.00 0.00 C ATOM 190 O GLN A 12 -1.453 5.888 14.204 1.00 0.00 O ATOM 191 CB GLN A 12 -0.947 6.538 11.290 1.00 0.00 C ATOM 192 CG GLN A 12 -1.784 5.507 10.544 1.00 0.00 C ATOM 193 CD GLN A 12 -2.377 6.175 9.306 1.00 0.00 C ATOM 194 OE1 GLN A 12 -2.000 5.858 8.171 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.334 7.121 9.548 1.00 0.00 N ATOM 0 H GLN A 12 0.852 4.740 10.926 1.00 0.00 H new ATOM 0 HA GLN A 12 0.440 6.841 12.872 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.622 7.248 11.768 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.360 7.097 10.561 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.169 4.654 10.257 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.578 5.126 11.186 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.604 7.340 10.507 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.778 7.608 8.770 1.00 0.00 H new ATOM 204 N HIS A 13 -0.361 3.967 13.754 1.00 0.00 N ATOM 205 CA HIS A 13 -1.072 3.240 14.777 1.00 0.00 C ATOM 206 C HIS A 13 -0.203 2.365 15.628 1.00 0.00 C ATOM 207 O HIS A 13 -0.738 1.670 16.485 1.00 0.00 O ATOM 208 CB HIS A 13 -2.152 2.300 14.223 1.00 0.00 C ATOM 209 CG HIS A 13 -3.192 2.985 13.396 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.348 3.485 13.921 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.277 3.108 12.056 1.00 0.00 C ATOM 212 CE1 HIS A 13 -5.136 3.857 12.924 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.510 3.638 11.777 1.00 0.00 N ATOM 0 H HIS A 13 0.355 3.432 13.263 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.504 4.050 15.365 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.673 1.529 13.619 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.641 1.794 15.056 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.568 3.560 14.914 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.517 2.839 11.338 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.128 4.272 13.029 1.00 0.00 H new ATOM 222 N TYR A 14 1.132 2.342 15.446 1.00 0.00 N ATOM 223 CA TYR A 14 1.968 1.641 16.386 1.00 0.00 C ATOM 224 C TYR A 14 2.701 2.638 17.214 1.00 0.00 C ATOM 225 O TYR A 14 3.307 3.570 16.685 1.00 0.00 O ATOM 226 CB TYR A 14 2.981 0.738 15.722 1.00 0.00 C ATOM 227 CG TYR A 14 3.621 -0.213 16.653 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.913 -1.253 17.225 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.983 -0.131 16.838 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.555 -2.144 18.060 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.622 -1.015 17.673 1.00 0.00 C ATOM 232 CZ TYR A 14 4.904 -1.995 18.319 1.00 0.00 C ATOM 233 OH TYR A 14 5.581 -2.862 19.195 1.00 0.00 O ATOM 0 H TYR A 14 1.625 2.792 14.675 1.00 0.00 H new ATOM 0 HA TYR A 14 1.313 1.012 16.989 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.491 0.180 14.925 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.752 1.351 15.255 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.859 -1.368 17.019 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.551 0.631 16.325 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.004 -2.956 18.510 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.689 -0.941 17.823 1.00 0.00 H new ATOM 0 HH TYR A 14 5.072 -2.948 20.028 1.00 0.00 H new ATOM 243 N ASP A 15 2.690 2.433 18.544 1.00 0.00 N ATOM 244 CA ASP A 15 3.571 3.155 19.402 1.00 0.00 C ATOM 245 C ASP A 15 3.766 2.211 20.525 1.00 0.00 C ATOM 246 O ASP A 15 2.863 2.049 21.336 1.00 0.00 O ATOM 247 CB ASP A 15 2.998 4.471 19.957 1.00 0.00 C ATOM 248 CG ASP A 15 4.063 5.109 20.838 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.166 5.417 20.312 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.784 5.309 22.049 1.00 0.00 O ATOM 0 H ASP A 15 2.075 1.772 19.020 1.00 0.00 H new ATOM 0 HA ASP A 15 4.468 3.457 18.861 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.724 5.142 19.143 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.091 4.280 20.531 1.00 0.00 H new ATOM 255 N ALA A 16 4.946 1.558 20.564 1.00 0.00 N ATOM 256 CA ALA A 16 5.286 0.446 21.426 1.00 0.00 C ATOM 257 C ALA A 16 4.961 0.588 22.884 1.00 0.00 C ATOM 258 O ALA A 16 4.543 -0.384 23.510 1.00 0.00 O ATOM 259 CB ALA A 16 6.765 0.048 21.334 1.00 0.00 C ATOM 0 H ALA A 16 5.720 1.821 19.953 1.00 0.00 H new ATOM 0 HA ALA A 16 4.631 -0.326 21.022 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.958 -0.791 22.003 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.001 -0.242 20.310 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.388 0.894 21.624 1.00 0.00 H new ATOM 265 N LYS A 17 5.132 1.795 23.453 1.00 0.00 N ATOM 266 CA LYS A 17 4.643 2.056 24.777 1.00 0.00 C ATOM 267 C LYS A 17 4.598 3.562 24.909 1.00 0.00 C ATOM 268 O LYS A 17 5.547 4.210 24.467 1.00 0.00 O ATOM 269 CB LYS A 17 5.597 1.526 25.880 1.00 0.00 C ATOM 270 CG LYS A 17 5.025 1.517 27.308 1.00 0.00 C ATOM 271 CD LYS A 17 3.919 0.472 27.516 1.00 0.00 C ATOM 272 CE LYS A 17 3.369 0.453 28.947 1.00 0.00 C ATOM 273 NZ LYS A 17 4.432 0.103 29.916 1.00 0.00 N ATOM 0 H LYS A 17 5.602 2.582 23.006 1.00 0.00 H new ATOM 0 HA LYS A 17 3.679 1.564 24.906 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.894 0.510 25.621 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.502 2.133 25.875 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.833 1.325 28.014 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.628 2.506 27.539 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.103 0.673 26.822 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.310 -0.515 27.271 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.953 1.430 29.194 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.554 -0.268 29.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.006 -0.086 30.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.936 -0.745 29.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.102 0.894 29.997 1.00 0.00 H new ATOM 287 N PRO A 18 3.560 4.149 25.502 1.00 0.00 N ATOM 288 CA PRO A 18 3.392 5.578 25.519 1.00 0.00 C ATOM 289 C PRO A 18 4.314 6.299 26.450 1.00 0.00 C ATOM 290 O PRO A 18 5.016 5.681 27.251 1.00 0.00 O ATOM 291 CB PRO A 18 1.999 5.779 26.095 1.00 0.00 C ATOM 292 CG PRO A 18 1.201 4.553 25.687 1.00 0.00 C ATOM 293 CD PRO A 18 2.269 3.504 25.403 1.00 0.00 C ATOM 0 HA PRO A 18 3.577 5.962 24.516 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.035 5.879 27.180 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.543 6.689 25.706 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.526 4.232 26.481 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.588 4.749 24.807 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.197 2.683 26.116 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.130 3.077 24.410 1.00 0.00 H new ATOM 301 N GLN A 19 4.244 7.644 26.359 1.00 0.00 N ATOM 302 CA GLN A 19 4.857 8.560 27.276 1.00 0.00 C ATOM 303 C GLN A 19 4.014 8.554 28.512 1.00 0.00 C ATOM 304 O GLN A 19 4.385 7.978 29.534 1.00 0.00 O ATOM 305 CB GLN A 19 4.916 9.994 26.706 1.00 0.00 C ATOM 306 CG GLN A 19 5.755 10.103 25.426 1.00 0.00 C ATOM 307 CD GLN A 19 5.493 11.481 24.820 1.00 0.00 C ATOM 308 OE1 GLN A 19 4.801 11.602 23.801 1.00 0.00 O ATOM 309 NE2 GLN A 19 6.062 12.536 25.475 1.00 0.00 N ATOM 0 H GLN A 19 3.735 8.114 25.610 1.00 0.00 H new ATOM 0 HA GLN A 19 5.884 8.252 27.473 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.902 10.337 26.498 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.330 10.661 27.462 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.814 9.978 25.650 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.483 9.317 24.722 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.623 12.374 26.311 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.926 13.485 25.128 1.00 0.00 H new ATOM 318 N GLY A 20 2.836 9.196 28.408 1.00 0.00 N ATOM 319 CA GLY A 20 1.780 9.081 29.372 1.00 0.00 C ATOM 320 C GLY A 20 0.643 8.561 28.580 1.00 0.00 C ATOM 321 O GLY A 20 0.791 8.277 27.399 1.00 0.00 O ATOM 0 H GLY A 20 2.609 9.815 27.630 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.048 8.403 30.182 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.545 10.043 29.827 1.00 0.00 H new ATOM 325 N ARG A 21 -0.529 8.433 29.218 1.00 0.00 N ATOM 326 CA ARG A 21 -1.706 7.953 28.544 1.00 0.00 C ATOM 327 C ARG A 21 -2.754 8.983 28.783 1.00 0.00 C ATOM 328 O ARG A 21 -3.712 8.759 29.520 1.00 0.00 O ATOM 329 CB ARG A 21 -2.191 6.577 29.045 1.00 0.00 C ATOM 330 CG ARG A 21 -1.289 5.425 28.570 1.00 0.00 C ATOM 331 CD ARG A 21 -1.605 4.072 29.215 1.00 0.00 C ATOM 332 NE ARG A 21 -3.027 3.731 28.939 1.00 0.00 N ATOM 333 CZ ARG A 21 -3.605 2.646 29.534 1.00 0.00 C ATOM 334 NH1 ARG A 21 -2.859 1.805 30.305 1.00 0.00 N ATOM 335 NH2 ARG A 21 -4.938 2.410 29.367 1.00 0.00 N ATOM 0 H ARG A 21 -0.670 8.660 30.202 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.484 7.805 27.487 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.225 6.582 30.134 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.209 6.405 28.695 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.381 5.329 27.488 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.251 5.681 28.780 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.947 3.300 28.815 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.429 4.116 30.290 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.573 4.311 28.302 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.864 1.985 30.440 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.296 0.996 30.747 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.501 3.043 28.799 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.372 1.600 29.810 1.00 0.00 H new ATOM 349 N ASP A 22 -2.561 10.161 28.158 1.00 0.00 N ATOM 350 CA ASP A 22 -3.426 11.282 28.375 1.00 0.00 C ATOM 351 C ASP A 22 -3.434 12.092 27.117 1.00 0.00 C ATOM 352 O ASP A 22 -2.824 11.708 26.120 1.00 0.00 O ATOM 353 CB ASP A 22 -3.021 12.156 29.584 1.00 0.00 C ATOM 354 CG ASP A 22 -1.671 12.835 29.372 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.636 12.130 29.249 1.00 0.00 O ATOM 356 OD2 ASP A 22 -1.666 14.094 29.358 1.00 0.00 O ATOM 0 H ASP A 22 -1.802 10.337 27.500 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.420 10.907 28.618 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.785 12.914 29.755 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.979 11.537 30.481 1.00 0.00 H new ATOM 361 N ASP A 23 -4.152 13.239 27.146 1.00 0.00 N ATOM 362 CA ASP A 23 -4.435 14.049 25.990 1.00 0.00 C ATOM 363 C ASP A 23 -3.234 14.783 25.469 1.00 0.00 C ATOM 364 O ASP A 23 -3.207 15.162 24.300 1.00 0.00 O ATOM 365 CB ASP A 23 -5.556 15.086 26.231 1.00 0.00 C ATOM 366 CG ASP A 23 -5.146 16.137 27.262 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.964 15.779 28.456 1.00 0.00 O ATOM 368 OD2 ASP A 23 -5.031 17.327 26.864 1.00 0.00 O ATOM 0 H ASP A 23 -4.550 13.616 28.006 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.765 13.323 25.247 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.805 15.577 25.290 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.457 14.575 26.571 1.00 0.00 H new ATOM 373 N ARG A 24 -2.207 14.990 26.323 1.00 0.00 N ATOM 374 CA ARG A 24 -0.993 15.647 25.936 1.00 0.00 C ATOM 375 C ARG A 24 -0.089 14.671 25.255 1.00 0.00 C ATOM 376 O ARG A 24 0.769 15.079 24.475 1.00 0.00 O ATOM 377 CB ARG A 24 -0.212 16.227 27.127 1.00 0.00 C ATOM 378 CG ARG A 24 -0.995 17.307 27.887 1.00 0.00 C ATOM 379 CD ARG A 24 -0.269 17.816 29.136 1.00 0.00 C ATOM 380 NE ARG A 24 -0.175 16.677 30.092 1.00 0.00 N ATOM 381 CZ ARG A 24 0.222 16.860 31.386 1.00 0.00 C ATOM 382 NH1 ARG A 24 0.580 18.097 31.834 1.00 0.00 N ATOM 383 NH2 ARG A 24 0.259 15.792 32.236 1.00 0.00 N ATOM 0 H ARG A 24 -2.222 14.695 27.299 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.289 16.465 25.280 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.045 15.421 27.814 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.726 16.651 26.768 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.185 18.147 27.218 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.966 16.905 28.178 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.724 18.184 28.879 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.812 18.649 29.583 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.413 15.738 29.772 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.553 18.896 31.201 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.875 18.223 32.802 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.009 14.866 31.903 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.554 15.920 33.204 1.00 0.00 H new ATOM 397 N TYR A 25 -0.272 13.356 25.531 1.00 0.00 N ATOM 398 CA TYR A 25 0.484 12.321 24.885 1.00 0.00 C ATOM 399 C TYR A 25 -0.090 12.136 23.523 1.00 0.00 C ATOM 400 O TYR A 25 0.664 11.896 22.584 1.00 0.00 O ATOM 401 CB TYR A 25 0.465 10.975 25.649 1.00 0.00 C ATOM 402 CG TYR A 25 0.634 9.788 24.745 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.860 9.457 24.190 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.456 8.971 24.487 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.981 8.368 23.349 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.336 7.884 23.648 1.00 0.00 C ATOM 407 CZ TYR A 25 0.878 7.585 23.074 1.00 0.00 C ATOM 408 OH TYR A 25 0.981 6.466 22.223 1.00 0.00 O ATOM 0 H TYR A 25 -0.952 13.012 26.209 1.00 0.00 H new ATOM 0 HA TYR A 25 1.529 12.629 24.852 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.261 10.974 26.394 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.477 10.883 26.189 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.729 10.056 24.417 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.408 9.188 24.948 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.937 8.129 22.907 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.197 7.266 23.441 1.00 0.00 H new ATOM 0 HH TYR A 25 1.907 6.147 22.213 1.00 0.00 H new ATOM 418 N CYS A 26 -1.431 12.238 23.391 1.00 0.00 N ATOM 419 CA CYS A 26 -2.097 12.053 22.134 1.00 0.00 C ATOM 420 C CYS A 26 -1.822 13.149 21.168 1.00 0.00 C ATOM 421 O CYS A 26 -1.701 12.892 19.974 1.00 0.00 O ATOM 422 CB CYS A 26 -3.616 12.004 22.240 1.00 0.00 C ATOM 423 SG CYS A 26 -4.221 10.332 22.521 1.00 0.00 S ATOM 0 H CYS A 26 -2.059 12.451 24.166 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.698 11.097 21.795 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.943 12.649 23.055 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.056 12.399 21.324 1.00 0.00 H new ATOM 428 N GLU A 27 -1.725 14.393 21.666 1.00 0.00 N ATOM 429 CA GLU A 27 -1.445 15.522 20.827 1.00 0.00 C ATOM 430 C GLU A 27 0.011 15.559 20.472 1.00 0.00 C ATOM 431 O GLU A 27 0.357 16.015 19.382 1.00 0.00 O ATOM 432 CB GLU A 27 -1.850 16.866 21.456 1.00 0.00 C ATOM 433 CG GLU A 27 -3.374 17.021 21.522 1.00 0.00 C ATOM 434 CD GLU A 27 -3.718 18.309 22.251 1.00 0.00 C ATOM 435 OE1 GLU A 27 -3.317 19.398 21.761 1.00 0.00 O ATOM 436 OE2 GLU A 27 -4.396 18.221 23.311 1.00 0.00 O ATOM 0 H GLU A 27 -1.840 14.621 22.653 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.052 15.390 19.931 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.432 16.939 22.460 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.425 17.684 20.874 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.793 17.036 20.516 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.815 16.169 22.038 1.00 0.00 H new ATOM 443 N SER A 28 0.889 15.058 21.375 1.00 0.00 N ATOM 444 CA SER A 28 2.302 14.976 21.122 1.00 0.00 C ATOM 445 C SER A 28 2.633 13.940 20.095 1.00 0.00 C ATOM 446 O SER A 28 3.562 14.136 19.317 1.00 0.00 O ATOM 447 CB SER A 28 3.132 14.650 22.378 1.00 0.00 C ATOM 448 OG SER A 28 4.518 14.599 22.072 1.00 0.00 O ATOM 0 H SER A 28 0.612 14.706 22.291 1.00 0.00 H new ATOM 0 HA SER A 28 2.564 15.972 20.764 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.952 15.405 23.143 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.812 13.694 22.792 1.00 0.00 H new ATOM 0 HG SER A 28 5.025 14.392 22.885 1.00 0.00 H new ATOM 454 N ILE A 29 1.885 12.816 20.075 1.00 0.00 N ATOM 455 CA ILE A 29 2.186 11.716 19.200 1.00 0.00 C ATOM 456 C ILE A 29 1.560 11.917 17.855 1.00 0.00 C ATOM 457 O ILE A 29 2.056 11.408 16.851 1.00 0.00 O ATOM 458 CB ILE A 29 1.905 10.332 19.769 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.626 9.283 18.905 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.398 10.034 19.913 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.717 7.907 19.536 1.00 0.00 C ATOM 0 H ILE A 29 1.068 12.668 20.668 1.00 0.00 H new ATOM 0 HA ILE A 29 3.270 11.729 19.088 1.00 0.00 H new ATOM 0 HB ILE A 29 2.296 10.291 20.786 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.107 9.198 17.950 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.634 9.638 18.690 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.263 9.033 20.323 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.055 10.765 20.582 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.080 10.093 18.935 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.240 7.230 18.860 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.264 7.974 20.477 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.713 7.527 19.726 1.00 0.00 H new ATOM 473 N MET A 30 0.457 12.687 17.789 1.00 0.00 N ATOM 474 CA MET A 30 -0.164 12.986 16.537 1.00 0.00 C ATOM 475 C MET A 30 0.629 14.027 15.815 1.00 0.00 C ATOM 476 O MET A 30 0.672 14.034 14.589 1.00 0.00 O ATOM 477 CB MET A 30 -1.580 13.507 16.747 1.00 0.00 C ATOM 478 CG MET A 30 -2.577 12.364 16.972 1.00 0.00 C ATOM 479 SD MET A 30 -3.418 11.888 15.444 1.00 0.00 S ATOM 480 CE MET A 30 -4.691 10.859 16.220 1.00 0.00 C ATOM 0 H MET A 30 -0.002 13.101 18.600 1.00 0.00 H new ATOM 0 HA MET A 30 -0.203 12.069 15.950 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.597 14.179 17.605 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.886 14.091 15.879 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.052 11.501 17.381 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.316 12.668 17.713 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.515 10.711 15.522 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.264 9.893 16.488 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.061 11.354 17.118 1.00 0.00 H new ATOM 490 N ARG A 31 1.283 14.923 16.579 1.00 0.00 N ATOM 491 CA ARG A 31 2.230 15.879 16.071 1.00 0.00 C ATOM 492 C ARG A 31 3.505 15.223 15.601 1.00 0.00 C ATOM 493 O ARG A 31 4.079 15.653 14.600 1.00 0.00 O ATOM 494 CB ARG A 31 2.567 16.922 17.153 1.00 0.00 C ATOM 495 CG ARG A 31 3.476 18.080 16.716 1.00 0.00 C ATOM 496 CD ARG A 31 3.509 19.196 17.766 1.00 0.00 C ATOM 497 NE ARG A 31 4.011 18.606 19.048 1.00 0.00 N ATOM 498 CZ ARG A 31 3.533 18.991 20.270 1.00 0.00 C ATOM 499 NH1 ARG A 31 2.585 19.965 20.379 1.00 0.00 N ATOM 500 NH2 ARG A 31 4.009 18.386 21.398 1.00 0.00 N ATOM 0 H ARG A 31 1.150 14.987 17.588 1.00 0.00 H new ATOM 0 HA ARG A 31 1.763 16.365 15.214 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.633 17.341 17.528 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.043 16.408 17.988 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.486 17.707 16.548 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.123 18.483 15.767 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.159 20.008 17.439 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.514 19.619 17.904 1.00 0.00 H new ATOM 0 HE ARG A 31 4.737 17.890 19.008 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.221 20.419 19.541 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.240 20.240 21.299 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.715 17.654 21.325 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.658 18.667 22.314 1.00 0.00 H new ATOM 514 N ARG A 32 3.981 14.188 16.331 1.00 0.00 N ATOM 515 CA ARG A 32 5.244 13.533 16.092 1.00 0.00 C ATOM 516 C ARG A 32 5.193 12.718 14.837 1.00 0.00 C ATOM 517 O ARG A 32 6.065 12.848 13.977 1.00 0.00 O ATOM 518 CB ARG A 32 5.628 12.600 17.262 1.00 0.00 C ATOM 519 CG ARG A 32 7.006 11.926 17.169 1.00 0.00 C ATOM 520 CD ARG A 32 7.284 11.022 18.377 1.00 0.00 C ATOM 521 NE ARG A 32 7.359 11.885 19.592 1.00 0.00 N ATOM 522 CZ ARG A 32 7.202 11.372 20.849 1.00 0.00 C ATOM 523 NH1 ARG A 32 6.932 10.047 21.034 1.00 0.00 N ATOM 524 NH2 ARG A 32 7.321 12.198 21.930 1.00 0.00 N ATOM 0 H ARG A 32 3.468 13.791 17.118 1.00 0.00 H new ATOM 0 HA ARG A 32 5.993 14.319 15.996 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.590 13.177 18.186 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.870 11.821 17.341 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.060 11.336 16.254 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.780 12.690 17.102 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.495 10.278 18.486 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.218 10.477 18.238 1.00 0.00 H new ATOM 0 HE ARG A 32 7.532 12.884 19.481 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.845 9.427 20.229 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.817 9.677 21.977 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.525 13.188 21.795 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.206 11.825 22.872 1.00 0.00 H new ATOM 538 N ARG A 33 4.171 11.841 14.724 1.00 0.00 N ATOM 539 CA ARG A 33 4.042 10.921 13.626 1.00 0.00 C ATOM 540 C ARG A 33 3.464 11.634 12.439 1.00 0.00 C ATOM 541 O ARG A 33 3.730 11.253 11.299 1.00 0.00 O ATOM 542 CB ARG A 33 3.178 9.689 13.968 1.00 0.00 C ATOM 543 CG ARG A 33 3.946 8.534 14.634 1.00 0.00 C ATOM 544 CD ARG A 33 4.700 8.909 15.912 1.00 0.00 C ATOM 545 NE ARG A 33 4.993 7.655 16.671 1.00 0.00 N ATOM 546 CZ ARG A 33 6.183 6.994 16.566 1.00 0.00 C ATOM 547 NH1 ARG A 33 7.175 7.458 15.751 1.00 0.00 N ATOM 548 NH2 ARG A 33 6.382 5.853 17.289 1.00 0.00 N ATOM 0 H ARG A 33 3.419 11.769 15.409 1.00 0.00 H new ATOM 0 HA ARG A 33 5.042 10.551 13.399 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.370 10.000 14.630 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.715 9.320 13.052 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.241 7.736 14.867 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.659 8.130 13.915 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.626 9.430 15.667 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.103 9.589 16.519 1.00 0.00 H new ATOM 0 HE ARG A 33 4.276 7.279 17.291 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.033 8.310 15.209 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.058 6.952 15.684 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.645 5.502 17.901 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.268 5.352 17.217 1.00 0.00 H new ATOM 562 N GLY A 34 2.693 12.712 12.691 1.00 0.00 N ATOM 563 CA GLY A 34 2.353 13.670 11.675 1.00 0.00 C ATOM 564 C GLY A 34 1.094 13.290 10.969 1.00 0.00 C ATOM 565 O GLY A 34 1.106 13.047 9.763 1.00 0.00 O ATOM 0 H GLY A 34 2.301 12.922 13.609 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.236 14.655 12.126 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.168 13.744 10.955 1.00 0.00 H new ATOM 569 N LEU A 35 -0.028 13.254 11.716 1.00 0.00 N ATOM 570 CA LEU A 35 -1.315 13.025 11.126 1.00 0.00 C ATOM 571 C LEU A 35 -2.320 13.864 11.849 1.00 0.00 C ATOM 572 O LEU A 35 -3.527 13.623 11.826 1.00 0.00 O ATOM 573 CB LEU A 35 -1.724 11.551 11.109 1.00 0.00 C ATOM 574 CG LEU A 35 -1.541 10.793 12.439 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.822 9.997 12.696 1.00 0.00 C ATOM 576 CD2 LEU A 35 -0.280 9.913 12.443 1.00 0.00 C ATOM 0 H LEU A 35 -0.044 13.383 12.728 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.265 13.314 10.076 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.772 11.487 10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.146 11.041 10.338 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.381 11.500 13.253 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.727 9.447 13.632 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.668 10.681 12.761 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.985 9.295 11.878 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.197 9.401 13.402 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.348 9.176 11.642 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.600 10.537 12.288 1.00 0.00 H new ATOM 588 N THR A 36 -1.782 14.929 12.464 1.00 0.00 N ATOM 589 CA THR A 36 -2.494 16.051 13.011 1.00 0.00 C ATOM 590 C THR A 36 -2.771 17.055 11.924 1.00 0.00 C ATOM 591 O THR A 36 -3.519 18.007 12.136 1.00 0.00 O ATOM 592 CB THR A 36 -1.711 16.713 14.133 1.00 0.00 C ATOM 593 OG1 THR A 36 -2.433 17.766 14.749 1.00 0.00 O ATOM 594 CG2 THR A 36 -0.348 17.251 13.652 1.00 0.00 C ATOM 0 H THR A 36 -0.774 15.016 12.591 1.00 0.00 H new ATOM 0 HA THR A 36 -3.434 15.685 13.425 1.00 0.00 H new ATOM 0 HB THR A 36 -1.543 15.928 14.870 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.385 17.680 14.533 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.175 17.715 14.488 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.250 16.428 13.261 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.505 17.990 12.867 1.00 0.00 H new ATOM 602 N SER A 37 -2.174 16.870 10.726 1.00 0.00 N ATOM 603 CA SER A 37 -2.369 17.784 9.633 1.00 0.00 C ATOM 604 C SER A 37 -2.967 17.019 8.488 1.00 0.00 C ATOM 605 O SER A 37 -2.236 16.247 7.869 1.00 0.00 O ATOM 606 CB SER A 37 -1.049 18.409 9.151 1.00 0.00 C ATOM 607 OG SER A 37 -1.300 19.306 8.080 1.00 0.00 O ATOM 0 H SER A 37 -1.556 16.087 10.514 1.00 0.00 H new ATOM 0 HA SER A 37 -3.018 18.589 9.977 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.565 18.937 9.973 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.363 17.626 8.828 1.00 0.00 H new ATOM 0 HG SER A 37 -0.455 19.701 7.779 1.00 0.00 H new ATOM 613 N PRO A 38 -4.235 17.163 8.115 1.00 0.00 N ATOM 614 CA PRO A 38 -5.335 17.720 8.874 1.00 0.00 C ATOM 615 C PRO A 38 -5.723 16.709 9.920 1.00 0.00 C ATOM 616 O PRO A 38 -5.291 15.558 9.822 1.00 0.00 O ATOM 617 CB PRO A 38 -6.456 17.864 7.841 1.00 0.00 C ATOM 618 CG PRO A 38 -6.178 16.767 6.810 1.00 0.00 C ATOM 619 CD PRO A 38 -4.653 16.656 6.822 1.00 0.00 C ATOM 0 HA PRO A 38 -5.109 18.665 9.369 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.436 17.737 8.300 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.446 18.852 7.381 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.653 15.825 7.086 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.555 17.037 5.823 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.334 15.623 6.684 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.211 17.236 6.012 1.00 0.00 H new ATOM 627 N CYS A 39 -6.523 17.136 10.933 1.00 0.00 N ATOM 628 CA CYS A 39 -6.898 16.323 12.046 1.00 0.00 C ATOM 629 C CYS A 39 -7.669 15.124 11.591 1.00 0.00 C ATOM 630 O CYS A 39 -8.729 15.236 10.976 1.00 0.00 O ATOM 631 CB CYS A 39 -7.845 17.046 13.020 1.00 0.00 C ATOM 632 SG CYS A 39 -7.252 18.660 13.610 1.00 0.00 S ATOM 0 H CYS A 39 -6.915 18.077 10.969 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.958 16.066 12.534 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.808 17.187 12.530 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -8.017 16.401 13.882 1.00 0.00 H new ATOM 637 N LYS A 40 -7.114 13.940 11.915 1.00 0.00 N ATOM 638 CA LYS A 40 -7.738 12.678 11.677 1.00 0.00 C ATOM 639 C LYS A 40 -8.733 12.516 12.783 1.00 0.00 C ATOM 640 O LYS A 40 -8.486 12.953 13.904 1.00 0.00 O ATOM 641 CB LYS A 40 -6.691 11.542 11.707 1.00 0.00 C ATOM 642 CG LYS A 40 -7.222 10.126 11.442 1.00 0.00 C ATOM 643 CD LYS A 40 -7.920 9.932 10.089 1.00 0.00 C ATOM 644 CE LYS A 40 -8.444 8.504 9.908 1.00 0.00 C ATOM 645 NZ LYS A 40 -9.155 8.378 8.618 1.00 0.00 N ATOM 0 H LYS A 40 -6.199 13.861 12.358 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.214 12.635 10.697 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.923 11.764 10.967 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.205 11.549 12.683 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.390 9.425 11.507 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.922 9.864 12.235 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.749 10.635 10.006 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.222 10.166 9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.615 7.798 9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.116 8.249 10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.505 7.405 8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.958 9.039 8.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.503 8.601 7.839 1.00 0.00 H new ATOM 659 N ASP A 41 -9.893 11.901 12.466 1.00 0.00 N ATOM 660 CA ASP A 41 -11.010 11.821 13.366 1.00 0.00 C ATOM 661 C ASP A 41 -10.779 10.816 14.448 1.00 0.00 C ATOM 662 O ASP A 41 -11.151 11.055 15.594 1.00 0.00 O ATOM 663 CB ASP A 41 -12.314 11.425 12.659 1.00 0.00 C ATOM 664 CG ASP A 41 -12.581 12.447 11.565 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.748 13.650 11.904 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.620 12.040 10.373 1.00 0.00 O ATOM 0 H ASP A 41 -10.058 11.450 11.566 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.105 12.824 13.782 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.229 10.425 12.234 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.141 11.401 13.369 1.00 0.00 H new ATOM 671 N ILE A 42 -10.179 9.660 14.105 1.00 0.00 N ATOM 672 CA ILE A 42 -9.900 8.657 15.090 1.00 0.00 C ATOM 673 C ILE A 42 -8.655 7.989 14.617 1.00 0.00 C ATOM 674 O ILE A 42 -8.545 7.649 13.441 1.00 0.00 O ATOM 675 CB ILE A 42 -11.059 7.676 15.293 1.00 0.00 C ATOM 676 CG1 ILE A 42 -10.821 6.690 16.463 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.492 6.987 13.980 1.00 0.00 C ATOM 678 CD1 ILE A 42 -10.270 5.309 16.086 1.00 0.00 C ATOM 0 H ILE A 42 -9.890 9.421 13.157 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.769 9.098 16.078 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.915 8.277 15.601 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.129 7.154 17.166 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.765 6.550 16.990 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.316 6.303 14.183 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.815 7.741 13.262 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.651 6.430 13.567 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.145 4.709 16.987 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.967 4.811 15.412 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.306 5.425 15.591 1.00 0.00 H new ATOM 690 N ASN A 43 -7.681 7.781 15.529 1.00 0.00 N ATOM 691 CA ASN A 43 -6.512 7.030 15.177 1.00 0.00 C ATOM 692 C ASN A 43 -5.956 6.475 16.449 1.00 0.00 C ATOM 693 O ASN A 43 -5.643 7.211 17.384 1.00 0.00 O ATOM 694 CB ASN A 43 -5.442 7.861 14.448 1.00 0.00 C ATOM 695 CG ASN A 43 -4.969 7.103 13.207 1.00 0.00 C ATOM 696 OD1 ASN A 43 -3.802 6.716 13.121 1.00 0.00 O ATOM 697 ND2 ASN A 43 -5.890 6.907 12.218 1.00 0.00 N ATOM 0 H ASN A 43 -7.702 8.125 16.489 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.796 6.247 14.474 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.851 8.830 14.162 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.600 8.054 15.113 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.623 6.421 11.362 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.845 7.246 12.336 1.00 0.00 H new ATOM 704 N THR A 44 -5.860 5.130 16.502 1.00 0.00 N ATOM 705 CA THR A 44 -5.554 4.417 17.709 1.00 0.00 C ATOM 706 C THR A 44 -4.129 3.989 17.700 1.00 0.00 C ATOM 707 O THR A 44 -3.737 3.151 16.893 1.00 0.00 O ATOM 708 CB THR A 44 -6.420 3.195 17.845 1.00 0.00 C ATOM 709 OG1 THR A 44 -7.773 3.613 17.831 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.145 2.444 19.160 1.00 0.00 C ATOM 0 H THR A 44 -5.998 4.527 15.691 1.00 0.00 H new ATOM 0 HA THR A 44 -5.741 5.086 18.549 1.00 0.00 H new ATOM 0 HB THR A 44 -6.200 2.517 17.020 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.355 2.835 17.703 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.790 1.568 19.220 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.102 2.129 19.188 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.348 3.103 20.004 1.00 0.00 H new ATOM 718 N PHE A 45 -3.333 4.532 18.643 1.00 0.00 N ATOM 719 CA PHE A 45 -1.984 4.092 18.842 1.00 0.00 C ATOM 720 C PHE A 45 -2.039 2.905 19.753 1.00 0.00 C ATOM 721 O PHE A 45 -2.538 2.993 20.871 1.00 0.00 O ATOM 722 CB PHE A 45 -1.083 5.177 19.450 1.00 0.00 C ATOM 723 CG PHE A 45 -0.893 6.246 18.420 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.769 7.316 18.330 1.00 0.00 C ATOM 725 CD2 PHE A 45 0.161 6.166 17.528 1.00 0.00 C ATOM 726 CE1 PHE A 45 -1.593 8.284 17.358 1.00 0.00 C ATOM 727 CE2 PHE A 45 0.360 7.152 16.583 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.515 8.214 16.499 1.00 0.00 C ATOM 0 H PHE A 45 -3.627 5.280 19.271 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.546 3.845 17.875 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.538 5.591 20.350 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.122 4.755 19.744 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.594 7.394 19.023 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.835 5.323 17.571 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.300 9.096 17.271 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.202 7.092 15.909 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.357 8.989 15.763 1.00 0.00 H new ATOM 738 N ILE A 46 -1.536 1.755 19.257 1.00 0.00 N ATOM 739 CA ILE A 46 -1.566 0.489 19.937 1.00 0.00 C ATOM 740 C ILE A 46 -0.200 0.311 20.482 1.00 0.00 C ATOM 741 O ILE A 46 0.783 0.726 19.882 1.00 0.00 O ATOM 742 CB ILE A 46 -1.801 -0.676 19.003 1.00 0.00 C ATOM 743 CG1 ILE A 46 -3.109 -0.456 18.216 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.756 -2.030 19.747 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.398 -1.587 17.235 1.00 0.00 C ATOM 0 H ILE A 46 -1.089 1.704 18.342 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.369 0.499 20.674 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.987 -0.722 18.280 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.940 -0.366 18.916 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.047 0.486 17.671 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.930 -2.840 19.039 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.778 -2.158 20.212 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.528 -2.048 20.516 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.330 -1.382 16.708 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.583 -1.662 16.516 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.489 -2.527 17.780 1.00 0.00 H new ATOM 757 N HIS A 47 -0.144 -0.343 21.647 1.00 0.00 N ATOM 758 CA HIS A 47 1.045 -0.505 22.437 1.00 0.00 C ATOM 759 C HIS A 47 1.156 -1.931 22.838 1.00 0.00 C ATOM 760 O HIS A 47 0.229 -2.502 23.410 1.00 0.00 O ATOM 761 CB HIS A 47 1.054 0.296 23.737 1.00 0.00 C ATOM 762 CG HIS A 47 0.215 1.525 23.651 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.459 2.541 22.760 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.894 1.894 24.341 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.494 3.470 22.950 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.341 3.125 23.900 1.00 0.00 N ATOM 0 H HIS A 47 -0.963 -0.783 22.066 1.00 0.00 H new ATOM 0 HA HIS A 47 1.864 -0.151 21.811 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.691 -0.332 24.551 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.079 0.575 23.982 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.220 2.583 22.082 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.360 1.310 25.121 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.558 4.391 22.390 1.00 0.00 H new ATOM 774 N GLY A 48 2.325 -2.532 22.573 1.00 0.00 N ATOM 775 CA GLY A 48 2.542 -3.882 22.984 1.00 0.00 C ATOM 776 C GLY A 48 3.717 -4.346 22.206 1.00 0.00 C ATOM 777 O GLY A 48 4.638 -3.571 21.955 1.00 0.00 O ATOM 0 H GLY A 48 3.107 -2.096 22.084 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.732 -3.941 24.056 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.667 -4.500 22.781 1.00 0.00 H new ATOM 781 N ASN A 49 3.693 -5.634 21.809 1.00 0.00 N ATOM 782 CA ASN A 49 4.717 -6.185 20.977 1.00 0.00 C ATOM 783 C ASN A 49 4.239 -6.104 19.568 1.00 0.00 C ATOM 784 O ASN A 49 3.047 -6.205 19.277 1.00 0.00 O ATOM 785 CB ASN A 49 5.045 -7.658 21.270 1.00 0.00 C ATOM 786 CG ASN A 49 5.951 -7.738 22.495 1.00 0.00 C ATOM 787 OD1 ASN A 49 5.525 -7.529 23.637 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.250 -8.065 22.221 1.00 0.00 N ATOM 0 H ASN A 49 2.960 -6.295 22.067 1.00 0.00 H new ATOM 0 HA ASN A 49 5.625 -5.613 21.168 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.127 -8.219 21.445 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.537 -8.111 20.409 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.926 -8.148 22.980 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.543 -8.226 21.257 1.00 0.00 H new ATOM 795 N LYS A 50 5.211 -5.936 18.651 1.00 0.00 N ATOM 796 CA LYS A 50 4.955 -5.875 17.245 1.00 0.00 C ATOM 797 C LYS A 50 5.001 -7.272 16.714 1.00 0.00 C ATOM 798 O LYS A 50 4.497 -7.564 15.631 1.00 0.00 O ATOM 799 CB LYS A 50 6.065 -5.105 16.509 1.00 0.00 C ATOM 800 CG LYS A 50 5.551 -4.193 15.393 1.00 0.00 C ATOM 801 CD LYS A 50 6.663 -3.568 14.534 1.00 0.00 C ATOM 802 CE LYS A 50 7.805 -2.904 15.310 1.00 0.00 C ATOM 803 NZ LYS A 50 8.737 -2.254 14.363 1.00 0.00 N ATOM 0 H LYS A 50 6.197 -5.840 18.893 1.00 0.00 H new ATOM 0 HA LYS A 50 3.994 -5.384 17.091 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.617 -4.503 17.231 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.770 -5.820 16.085 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.886 -4.766 14.747 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.956 -3.394 15.836 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.085 -4.345 13.896 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.214 -2.824 13.876 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.405 -2.167 16.006 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.335 -3.648 15.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.511 -1.804 14.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.129 -2.968 13.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.227 -1.532 13.814 1.00 0.00 H new ATOM 817 N ARG A 51 5.618 -8.172 17.512 1.00 0.00 N ATOM 818 CA ARG A 51 5.620 -9.585 17.285 1.00 0.00 C ATOM 819 C ARG A 51 4.239 -10.091 17.528 1.00 0.00 C ATOM 820 O ARG A 51 3.778 -11.002 16.846 1.00 0.00 O ATOM 821 CB ARG A 51 6.526 -10.343 18.271 1.00 0.00 C ATOM 822 CG ARG A 51 7.971 -9.827 18.300 1.00 0.00 C ATOM 823 CD ARG A 51 8.891 -10.681 19.179 1.00 0.00 C ATOM 824 NE ARG A 51 8.306 -10.733 20.548 1.00 0.00 N ATOM 825 CZ ARG A 51 8.860 -11.512 21.524 1.00 0.00 C ATOM 826 NH1 ARG A 51 9.993 -12.230 21.277 1.00 0.00 N ATOM 827 NH2 ARG A 51 8.270 -11.571 22.754 1.00 0.00 N ATOM 0 H ARG A 51 6.135 -7.900 18.348 1.00 0.00 H new ATOM 0 HA ARG A 51 5.978 -9.749 16.269 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.102 -10.267 19.272 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.532 -11.400 18.006 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.365 -9.806 17.284 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.978 -8.800 18.666 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.986 -11.686 18.767 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.893 -10.253 19.209 1.00 0.00 H new ATOM 0 HE ARG A 51 7.477 -10.177 20.760 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.433 -12.188 20.358 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.400 -12.809 22.011 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.422 -11.036 22.939 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.678 -12.150 23.488 1.00 0.00 H new ATOM 841 N SER A 52 3.566 -9.484 18.528 1.00 0.00 N ATOM 842 CA SER A 52 2.221 -9.796 18.892 1.00 0.00 C ATOM 843 C SER A 52 1.253 -9.241 17.895 1.00 0.00 C ATOM 844 O SER A 52 0.255 -9.909 17.647 1.00 0.00 O ATOM 845 CB SER A 52 1.841 -9.349 20.311 1.00 0.00 C ATOM 846 OG SER A 52 0.534 -9.789 20.646 1.00 0.00 O ATOM 0 H SER A 52 3.978 -8.749 19.102 1.00 0.00 H new ATOM 0 HA SER A 52 2.162 -10.884 18.888 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.559 -9.749 21.027 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.893 -8.262 20.381 1.00 0.00 H new ATOM 0 HG SER A 52 -0.115 -9.093 20.414 1.00 0.00 H new ATOM 852 N ILE A 53 1.509 -8.035 17.307 1.00 0.00 N ATOM 853 CA ILE A 53 0.597 -7.444 16.342 1.00 0.00 C ATOM 854 C ILE A 53 0.509 -8.284 15.097 1.00 0.00 C ATOM 855 O ILE A 53 -0.587 -8.595 14.628 1.00 0.00 O ATOM 856 CB ILE A 53 0.822 -5.947 16.048 1.00 0.00 C ATOM 857 CG1 ILE A 53 -0.500 -5.193 15.814 1.00 0.00 C ATOM 858 CG2 ILE A 53 1.737 -5.627 14.850 1.00 0.00 C ATOM 859 CD1 ILE A 53 -1.376 -5.173 17.053 1.00 0.00 C ATOM 0 H ILE A 53 2.340 -7.475 17.498 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.380 -7.452 16.826 1.00 0.00 H new ATOM 0 HB ILE A 53 1.326 -5.612 16.954 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.283 -4.170 15.508 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.044 -5.662 14.994 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.824 -4.546 14.737 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.725 -6.054 15.022 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.310 -6.054 13.942 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.297 -4.630 16.839 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.617 -6.195 17.345 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.845 -4.679 17.866 1.00 0.00 H new ATOM 871 N LYS A 54 1.685 -8.700 14.589 1.00 0.00 N ATOM 872 CA LYS A 54 1.826 -9.572 13.443 1.00 0.00 C ATOM 873 C LYS A 54 1.191 -10.905 13.694 1.00 0.00 C ATOM 874 O LYS A 54 0.506 -11.437 12.819 1.00 0.00 O ATOM 875 CB LYS A 54 3.277 -9.873 13.036 1.00 0.00 C ATOM 876 CG LYS A 54 3.983 -8.679 12.387 1.00 0.00 C ATOM 877 CD LYS A 54 5.384 -9.049 11.880 1.00 0.00 C ATOM 878 CE LYS A 54 6.197 -7.859 11.361 1.00 0.00 C ATOM 879 NZ LYS A 54 6.546 -6.947 12.472 1.00 0.00 N ATOM 0 H LYS A 54 2.581 -8.421 14.989 1.00 0.00 H new ATOM 0 HA LYS A 54 1.339 -9.015 12.642 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.838 -10.183 13.918 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.286 -10.713 12.341 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.382 -8.310 11.556 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.061 -7.867 13.110 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.936 -9.527 12.689 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.287 -9.785 11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.106 -8.216 10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.623 -7.320 10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.413 -6.425 12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.768 -6.274 12.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.703 -7.500 13.339 1.00 0.00 H new ATOM 893 N ALA A 55 1.388 -11.454 14.917 1.00 0.00 N ATOM 894 CA ALA A 55 0.882 -12.737 15.333 1.00 0.00 C ATOM 895 C ALA A 55 -0.592 -12.759 15.623 1.00 0.00 C ATOM 896 O ALA A 55 -1.105 -13.808 16.011 1.00 0.00 O ATOM 897 CB ALA A 55 1.561 -13.248 16.611 1.00 0.00 C ATOM 0 H ALA A 55 1.923 -10.983 15.646 1.00 0.00 H new ATOM 0 HA ALA A 55 1.101 -13.370 14.473 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.144 -14.218 16.882 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.632 -13.349 16.438 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.390 -12.540 17.422 1.00 0.00 H new ATOM 903 N ILE A 56 -1.323 -11.629 15.432 1.00 0.00 N ATOM 904 CA ILE A 56 -2.755 -11.665 15.513 1.00 0.00 C ATOM 905 C ILE A 56 -3.249 -12.324 14.264 1.00 0.00 C ATOM 906 O ILE A 56 -4.229 -13.066 14.291 1.00 0.00 O ATOM 907 CB ILE A 56 -3.407 -10.295 15.668 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.912 -9.555 16.930 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.942 -10.419 15.714 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.875 -10.410 18.198 1.00 0.00 C ATOM 0 H ILE A 56 -0.927 -10.712 15.226 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.029 -12.215 16.413 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.116 -9.710 14.795 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.911 -9.169 16.739 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.557 -8.695 17.107 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.384 -9.429 15.825 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.298 -10.874 14.790 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.231 -11.042 16.560 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.515 -9.808 19.032 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.878 -10.775 18.420 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.206 -11.257 18.046 1.00 0.00 H new ATOM 922 N CYS A 57 -2.568 -12.060 13.133 1.00 0.00 N ATOM 923 CA CYS A 57 -3.081 -12.449 11.857 1.00 0.00 C ATOM 924 C CYS A 57 -2.732 -13.849 11.478 1.00 0.00 C ATOM 925 O CYS A 57 -3.498 -14.488 10.757 1.00 0.00 O ATOM 926 CB CYS A 57 -2.579 -11.560 10.725 1.00 0.00 C ATOM 927 SG CYS A 57 -3.207 -9.877 10.874 1.00 0.00 S ATOM 0 H CYS A 57 -1.668 -11.580 13.103 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.160 -12.352 11.978 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.489 -11.544 10.730 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.887 -11.980 9.768 1.00 0.00 H new ATOM 932 N GLU A 58 -1.559 -14.349 11.925 1.00 0.00 N ATOM 933 CA GLU A 58 -1.047 -15.608 11.451 1.00 0.00 C ATOM 934 C GLU A 58 -1.280 -16.703 12.454 1.00 0.00 C ATOM 935 O GLU A 58 -0.340 -17.393 12.848 1.00 0.00 O ATOM 936 CB GLU A 58 0.445 -15.524 11.057 1.00 0.00 C ATOM 937 CG GLU A 58 1.346 -14.873 12.113 1.00 0.00 C ATOM 938 CD GLU A 58 2.741 -14.720 11.527 1.00 0.00 C ATOM 939 OE1 GLU A 58 3.369 -15.763 11.205 1.00 0.00 O ATOM 940 OE2 GLU A 58 3.196 -13.551 11.395 1.00 0.00 O ATOM 0 H GLU A 58 -0.966 -13.884 12.612 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.602 -15.853 10.545 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.812 -16.530 10.855 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.531 -14.961 10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.948 -13.901 12.403 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.378 -15.486 13.014 1.00 0.00 H new ATOM 947 N ASN A 59 -2.580 -16.894 12.807 1.00 0.00 N ATOM 948 CA ASN A 59 -3.181 -17.908 13.654 1.00 0.00 C ATOM 949 C ASN A 59 -2.347 -18.356 14.818 1.00 0.00 C ATOM 950 O ASN A 59 -1.923 -19.507 14.896 1.00 0.00 O ATOM 951 CB ASN A 59 -3.771 -19.129 12.891 1.00 0.00 C ATOM 952 CG ASN A 59 -2.817 -19.749 11.858 1.00 0.00 C ATOM 953 OD1 ASN A 59 -2.659 -19.229 10.746 1.00 0.00 O ATOM 954 ND2 ASN A 59 -2.210 -20.915 12.231 1.00 0.00 N ATOM 0 H ASN A 59 -3.295 -16.258 12.454 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.022 -17.360 14.079 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.051 -19.894 13.615 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.685 -18.819 12.384 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.592 -21.399 11.580 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.375 -21.301 13.161 1.00 0.00 H new ATOM 961 N LYS A 60 -2.102 -17.429 15.764 1.00 0.00 N ATOM 962 CA LYS A 60 -1.340 -17.735 16.937 1.00 0.00 C ATOM 963 C LYS A 60 -2.132 -17.201 18.076 1.00 0.00 C ATOM 964 O LYS A 60 -2.504 -17.934 18.991 1.00 0.00 O ATOM 965 CB LYS A 60 0.076 -17.113 16.895 1.00 0.00 C ATOM 966 CG LYS A 60 0.936 -17.261 18.162 1.00 0.00 C ATOM 967 CD LYS A 60 1.243 -18.709 18.569 1.00 0.00 C ATOM 968 CE LYS A 60 2.128 -18.780 19.818 1.00 0.00 C ATOM 969 NZ LYS A 60 2.374 -20.188 20.195 1.00 0.00 N ATOM 0 H LYS A 60 -2.433 -16.465 15.716 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.175 -18.809 17.025 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.619 -17.560 16.062 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.026 -16.050 16.676 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.878 -16.735 18.008 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.427 -16.767 18.989 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.309 -19.239 18.756 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.739 -19.220 17.744 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.076 -18.276 19.629 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.647 -18.255 20.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.975 -20.220 21.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.468 -20.657 20.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.853 -20.678 19.413 1.00 0.00 H new ATOM 983 N ASN A 61 -2.381 -15.886 18.025 1.00 0.00 N ATOM 984 CA ASN A 61 -3.043 -15.182 19.080 1.00 0.00 C ATOM 985 C ASN A 61 -4.467 -15.012 18.700 1.00 0.00 C ATOM 986 O ASN A 61 -5.367 -15.186 19.521 1.00 0.00 O ATOM 987 CB ASN A 61 -2.472 -13.774 19.293 1.00 0.00 C ATOM 988 CG ASN A 61 -1.025 -13.857 19.774 1.00 0.00 C ATOM 989 OD1 ASN A 61 -0.597 -14.821 20.417 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.264 -12.769 19.452 1.00 0.00 N ATOM 0 H ASN A 61 -2.118 -15.295 17.236 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.909 -15.760 19.994 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.521 -13.209 18.362 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.075 -13.236 20.024 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.712 -12.724 19.745 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.672 -12.001 18.918 1.00 0.00 H new ATOM 997 N GLY A 62 -4.682 -14.624 17.434 1.00 0.00 N ATOM 998 CA GLY A 62 -5.969 -14.167 17.005 1.00 0.00 C ATOM 999 C GLY A 62 -6.773 -15.272 16.410 1.00 0.00 C ATOM 1000 O GLY A 62 -6.235 -16.254 15.900 1.00 0.00 O ATOM 0 H GLY A 62 -3.968 -14.625 16.706 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.506 -13.741 17.853 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.847 -13.370 16.272 1.00 0.00 H new ATOM 1004 N ASN A 63 -8.110 -15.094 16.479 1.00 0.00 N ATOM 1005 CA ASN A 63 -9.076 -16.013 15.951 1.00 0.00 C ATOM 1006 C ASN A 63 -9.667 -15.321 14.761 1.00 0.00 C ATOM 1007 O ASN A 63 -9.634 -14.091 14.748 1.00 0.00 O ATOM 1008 CB ASN A 63 -10.217 -16.281 16.948 1.00 0.00 C ATOM 1009 CG ASN A 63 -9.625 -16.965 18.177 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -9.008 -18.034 18.086 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -9.832 -16.311 19.358 1.00 0.00 N ATOM 0 H ASN A 63 -8.533 -14.277 16.920 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.601 -16.967 15.723 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.703 -15.347 17.230 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.980 -16.912 16.492 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.470 -16.702 20.228 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.349 -15.432 19.370 1.00 0.00 H new ATOM 1018 N PRO A 64 -10.193 -16.020 13.758 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.681 -15.410 12.549 1.00 0.00 C ATOM 1020 C PRO A 64 -11.988 -14.758 12.881 1.00 0.00 C ATOM 1021 O PRO A 64 -12.800 -15.344 13.596 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.857 -16.566 11.561 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.988 -17.818 12.433 1.00 0.00 C ATOM 1024 CD PRO A 64 -10.154 -17.470 13.665 1.00 0.00 C ATOM 0 HA PRO A 64 -10.021 -14.653 12.125 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.742 -16.423 10.940 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.004 -16.642 10.887 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.027 -18.021 12.693 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.607 -18.704 11.926 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.566 -17.933 14.562 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.130 -17.830 13.561 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.183 -13.532 12.359 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.328 -12.731 12.657 1.00 0.00 C ATOM 1034 C HIS A 65 -13.961 -12.417 11.340 1.00 0.00 C ATOM 1035 O HIS A 65 -13.892 -11.288 10.856 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.943 -11.438 13.407 1.00 0.00 C ATOM 1037 CG HIS A 65 -14.095 -10.527 13.708 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -15.128 -10.887 14.528 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.331 -9.260 13.296 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.971 -9.865 14.608 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.509 -8.865 13.869 1.00 0.00 N ATOM 0 H HIS A 65 -11.528 -13.089 11.715 1.00 0.00 H new ATOM 0 HA HIS A 65 -14.013 -13.263 13.317 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.455 -11.708 14.344 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.211 -10.892 12.812 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.707 -8.672 12.639 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.886 -9.850 15.182 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.956 -7.956 13.748 1.00 0.00 H new ATOM 1050 N ARG A 66 -14.612 -13.450 10.758 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.405 -13.391 9.555 1.00 0.00 C ATOM 1052 C ARG A 66 -14.595 -13.159 8.314 1.00 0.00 C ATOM 1053 O ARG A 66 -14.020 -14.097 7.764 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.609 -12.423 9.603 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.617 -12.790 10.701 1.00 0.00 C ATOM 1056 CD ARG A 66 -18.851 -11.887 10.698 1.00 0.00 C ATOM 1057 NE ARG A 66 -19.757 -12.366 11.780 1.00 0.00 N ATOM 1058 CZ ARG A 66 -20.983 -11.793 11.965 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -21.390 -10.762 11.169 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -21.805 -12.256 12.953 1.00 0.00 N ATOM 0 H ARG A 66 -14.583 -14.390 11.154 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.827 -14.395 9.504 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.248 -11.408 9.770 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.113 -12.427 8.636 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.930 -13.826 10.569 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.128 -12.726 11.673 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.567 -10.848 10.867 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -19.353 -11.927 9.731 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.459 -13.129 12.388 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -20.777 -10.415 10.431 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -22.307 -10.338 11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -21.502 -13.027 13.549 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -22.721 -11.831 13.095 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.588 -11.903 7.822 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.164 -11.566 6.496 1.00 0.00 C ATOM 1076 C GLU A 67 -12.831 -10.912 6.572 1.00 0.00 C ATOM 1077 O GLU A 67 -12.718 -9.695 6.451 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.124 -10.588 5.791 1.00 0.00 C ATOM 1079 CG GLU A 67 -16.514 -11.185 5.545 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.345 -10.152 4.801 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.575 -9.051 5.370 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -17.765 -10.450 3.649 1.00 0.00 O ATOM 0 H GLU A 67 -14.888 -11.095 8.367 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.139 -12.493 5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.224 -9.687 6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.691 -10.286 4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.437 -12.103 4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.989 -11.447 6.491 1.00 0.00 H new ATOM 1089 N ASN A 68 -11.796 -11.757 6.769 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.369 -11.499 6.699 1.00 0.00 C ATOM 1091 C ASN A 68 -9.835 -10.680 7.837 1.00 0.00 C ATOM 1092 O ASN A 68 -8.690 -10.234 7.798 1.00 0.00 O ATOM 1093 CB ASN A 68 -9.795 -11.009 5.328 1.00 0.00 C ATOM 1094 CG ASN A 68 -9.949 -9.507 5.012 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -9.152 -8.662 5.436 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.983 -9.189 4.178 1.00 0.00 N ATOM 0 H ASN A 68 -11.974 -12.733 7.004 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.982 -12.513 6.802 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.734 -11.257 5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.280 -11.576 4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.120 -8.223 3.882 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.618 -9.918 3.852 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.650 -10.485 8.891 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.275 -9.657 9.990 1.00 0.00 C ATOM 1105 C LEU A 69 -9.862 -10.636 11.022 1.00 0.00 C ATOM 1106 O LEU A 69 -10.265 -11.793 10.957 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.442 -8.822 10.540 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.199 -7.992 9.481 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.433 -7.322 10.111 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.300 -6.959 8.778 1.00 0.00 C ATOM 0 H LEU A 69 -11.575 -10.906 8.979 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.510 -8.938 9.698 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.149 -9.491 11.031 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.058 -8.147 11.305 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.530 -8.683 8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.958 -6.740 9.353 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.100 -8.088 10.507 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.116 -6.663 10.920 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.886 -6.406 8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.895 -6.267 9.516 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.481 -7.472 8.275 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.032 -10.208 11.989 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.579 -11.107 13.009 1.00 0.00 C ATOM 1124 C ARG A 70 -8.595 -10.315 14.264 1.00 0.00 C ATOM 1125 O ARG A 70 -7.897 -9.306 14.374 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.140 -11.611 12.796 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.982 -12.686 11.710 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.975 -14.099 12.284 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.743 -15.049 11.165 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.564 -16.377 11.422 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -6.637 -16.843 12.703 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -6.309 -17.241 10.397 1.00 0.00 N ATOM 0 H ARG A 70 -8.678 -9.255 12.067 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.221 -11.988 13.014 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.508 -10.761 12.539 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.768 -12.011 13.739 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.796 -12.594 10.991 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.054 -12.514 11.165 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.194 -14.200 13.038 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.923 -14.315 12.777 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.718 -14.708 10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.826 -16.198 13.470 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.503 -17.836 12.893 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.252 -16.894 9.440 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.175 -18.234 10.588 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.406 -10.782 15.237 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.472 -10.170 16.530 1.00 0.00 C ATOM 1148 C ILE A 71 -8.416 -10.848 17.332 1.00 0.00 C ATOM 1149 O ILE A 71 -8.191 -12.045 17.175 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.844 -10.289 17.197 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -10.948 -9.361 18.431 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.203 -11.752 17.542 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.386 -9.130 18.901 1.00 0.00 C ATOM 0 H ILE A 71 -10.019 -11.589 15.124 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.314 -9.095 16.450 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.585 -9.955 16.471 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.371 -9.792 19.249 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.493 -8.400 18.192 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.185 -11.784 18.013 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.219 -12.348 16.629 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.458 -12.157 18.227 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.384 -8.471 19.769 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.962 -8.670 18.098 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.838 -10.084 19.171 1.00 0.00 H new ATOM 1165 N SER A 72 -7.740 -10.087 18.210 1.00 0.00 N ATOM 1166 CA SER A 72 -6.688 -10.617 19.024 1.00 0.00 C ATOM 1167 C SER A 72 -7.245 -11.264 20.247 1.00 0.00 C ATOM 1168 O SER A 72 -8.421 -11.111 20.566 1.00 0.00 O ATOM 1169 CB SER A 72 -5.746 -9.519 19.519 1.00 0.00 C ATOM 1170 OG SER A 72 -6.418 -8.627 20.384 1.00 0.00 O ATOM 0 H SER A 72 -7.924 -9.095 18.358 1.00 0.00 H new ATOM 0 HA SER A 72 -6.152 -11.330 18.397 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.900 -9.968 20.040 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.342 -8.971 18.668 1.00 0.00 H new ATOM 0 HG SER A 72 -5.766 -8.034 20.813 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.376 -11.999 20.975 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.697 -12.468 22.291 1.00 0.00 C ATOM 1178 C LYS A 73 -5.502 -12.192 23.139 1.00 0.00 C ATOM 1179 O LYS A 73 -5.485 -12.536 24.320 1.00 0.00 O ATOM 1180 CB LYS A 73 -7.028 -13.974 22.392 1.00 0.00 C ATOM 1181 CG LYS A 73 -8.401 -14.358 21.817 1.00 0.00 C ATOM 1182 CD LYS A 73 -9.579 -13.798 22.631 1.00 0.00 C ATOM 1183 CE LYS A 73 -10.954 -14.144 22.052 1.00 0.00 C ATOM 1184 NZ LYS A 73 -11.139 -13.498 20.736 1.00 0.00 N ATOM 0 H LYS A 73 -5.448 -12.268 20.649 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.603 -11.952 22.608 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.257 -14.540 21.869 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.989 -14.274 23.439 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.472 -13.996 20.791 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.480 -15.444 21.777 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.518 -14.180 23.650 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.483 -12.714 22.691 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.051 -15.225 21.950 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.736 -13.817 22.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.957 -13.922 20.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.305 -12.480 20.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.286 -13.637 20.158 1.00 0.00 H new ATOM 1198 N SER A 74 -4.476 -11.531 22.556 1.00 0.00 N ATOM 1199 CA SER A 74 -3.369 -11.030 23.296 1.00 0.00 C ATOM 1200 C SER A 74 -3.606 -9.564 23.346 1.00 0.00 C ATOM 1201 O SER A 74 -3.019 -8.821 22.564 1.00 0.00 O ATOM 1202 CB SER A 74 -2.040 -11.289 22.582 1.00 0.00 C ATOM 1203 OG SER A 74 -1.683 -12.657 22.716 1.00 0.00 O ATOM 0 H SER A 74 -4.423 -11.346 21.554 1.00 0.00 H new ATOM 0 HA SER A 74 -3.298 -11.507 24.273 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.126 -11.027 21.527 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.260 -10.656 23.005 1.00 0.00 H new ATOM 0 HG SER A 74 -0.833 -12.820 22.256 1.00 0.00 H new ATOM 1209 N SER A 75 -4.506 -9.161 24.270 1.00 0.00 N ATOM 1210 CA SER A 75 -4.998 -7.825 24.491 1.00 0.00 C ATOM 1211 C SER A 75 -3.890 -6.840 24.682 1.00 0.00 C ATOM 1212 O SER A 75 -2.981 -7.048 25.486 1.00 0.00 O ATOM 1213 CB SER A 75 -5.895 -7.757 25.738 1.00 0.00 C ATOM 1214 OG SER A 75 -6.404 -6.446 25.916 1.00 0.00 O ATOM 0 H SER A 75 -4.925 -9.828 24.918 1.00 0.00 H new ATOM 0 HA SER A 75 -5.567 -7.570 23.597 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.720 -8.463 25.638 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.326 -8.055 26.619 1.00 0.00 H new ATOM 0 HG SER A 75 -6.117 -6.099 26.787 1.00 0.00 H new ATOM 1220 N PHE A 76 -3.954 -5.741 23.899 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.886 -4.790 23.808 1.00 0.00 C ATOM 1222 C PHE A 76 -3.372 -3.591 24.503 1.00 0.00 C ATOM 1223 O PHE A 76 -4.578 -3.397 24.644 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.582 -4.288 22.378 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.176 -5.384 21.456 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.149 -6.205 20.939 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.862 -5.545 21.037 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.822 -7.220 20.084 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.524 -6.559 20.155 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.512 -7.418 19.712 1.00 0.00 C ATOM 0 H PHE A 76 -4.762 -5.511 23.320 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.993 -5.275 24.202 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.465 -3.791 21.977 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.788 -3.542 22.421 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.182 -6.047 21.211 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.097 -4.875 21.401 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.595 -7.869 19.699 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.496 -6.676 19.819 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.255 -8.248 19.071 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.419 -2.743 24.929 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.764 -1.469 25.454 1.00 0.00 C ATOM 1242 C GLN A 77 -3.082 -0.597 24.305 1.00 0.00 C ATOM 1243 O GLN A 77 -2.495 -0.724 23.236 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.667 -0.813 26.306 1.00 0.00 C ATOM 1245 CG GLN A 77 -0.986 -1.658 27.382 1.00 0.00 C ATOM 1246 CD GLN A 77 -0.657 -0.715 28.535 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.032 0.296 28.368 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.211 -1.068 29.736 1.00 0.00 N ATOM 0 H GLN A 77 -1.419 -2.942 24.908 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.609 -1.606 26.129 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.894 -0.449 25.630 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.101 0.060 26.793 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.642 -2.463 27.715 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.081 -2.124 26.993 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.771 -1.917 29.809 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.063 -0.482 30.558 1.00 0.00 H new ATOM 1257 N VAL A 78 -4.054 0.308 24.509 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.580 1.088 23.434 1.00 0.00 C ATOM 1259 C VAL A 78 -4.751 2.464 23.977 1.00 0.00 C ATOM 1260 O VAL A 78 -5.121 2.650 25.131 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.866 0.461 22.921 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -7.001 1.458 22.607 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.448 -0.358 21.689 1.00 0.00 C ATOM 0 H VAL A 78 -4.476 0.500 25.418 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.921 1.126 22.567 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.313 -0.154 23.702 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.874 0.914 22.248 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.263 2.008 23.511 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.669 2.158 21.840 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.325 -0.843 21.260 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.000 0.303 20.947 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.722 -1.116 21.985 1.00 0.00 H new ATOM 1273 N THR A 79 -4.463 3.475 23.138 1.00 0.00 N ATOM 1274 CA THR A 79 -4.799 4.827 23.449 1.00 0.00 C ATOM 1275 C THR A 79 -5.385 5.302 22.175 1.00 0.00 C ATOM 1276 O THR A 79 -4.672 5.592 21.214 1.00 0.00 O ATOM 1277 CB THR A 79 -3.642 5.697 23.883 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.159 5.267 25.148 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.098 7.160 24.016 1.00 0.00 C ATOM 0 H THR A 79 -3.995 3.353 22.240 1.00 0.00 H new ATOM 0 HA THR A 79 -5.460 4.882 24.314 1.00 0.00 H new ATOM 0 HB THR A 79 -2.856 5.618 23.132 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.506 4.547 25.021 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.256 7.777 24.329 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.469 7.514 23.054 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.893 7.227 24.759 1.00 0.00 H new ATOM 1287 N THR A 80 -6.729 5.369 22.162 1.00 0.00 N ATOM 1288 CA THR A 80 -7.465 5.841 21.033 1.00 0.00 C ATOM 1289 C THR A 80 -7.446 7.325 21.126 1.00 0.00 C ATOM 1290 O THR A 80 -8.132 7.903 21.966 1.00 0.00 O ATOM 1291 CB THR A 80 -8.889 5.350 21.042 1.00 0.00 C ATOM 1292 OG1 THR A 80 -8.893 3.931 21.060 1.00 0.00 O ATOM 1293 CG2 THR A 80 -9.642 5.836 19.794 1.00 0.00 C ATOM 0 H THR A 80 -7.313 5.090 22.950 1.00 0.00 H new ATOM 0 HA THR A 80 -7.017 5.474 20.110 1.00 0.00 H new ATOM 0 HB THR A 80 -9.387 5.743 21.928 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.818 3.607 21.068 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.668 5.469 19.822 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.647 6.926 19.773 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.146 5.458 18.900 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.656 7.977 20.251 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.603 9.405 20.249 1.00 0.00 C ATOM 1303 C CYS A 81 -7.682 9.823 19.316 1.00 0.00 C ATOM 1304 O CYS A 81 -7.614 9.554 18.118 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.277 9.962 19.723 1.00 0.00 C ATOM 1306 SG CYS A 81 -3.866 9.443 20.737 1.00 0.00 S ATOM 0 H CYS A 81 -6.063 7.523 19.556 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.711 9.777 21.268 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.127 9.629 18.696 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.325 11.051 19.701 1.00 0.00 H new ATOM 1311 N LYS A 82 -8.718 10.469 19.875 1.00 0.00 N ATOM 1312 CA LYS A 82 -9.916 10.733 19.139 1.00 0.00 C ATOM 1313 C LYS A 82 -10.147 12.197 19.209 1.00 0.00 C ATOM 1314 O LYS A 82 -9.968 12.812 20.258 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.148 9.994 19.686 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.229 9.820 18.613 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.459 9.062 19.114 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.344 8.553 17.974 1.00 0.00 C ATOM 1319 NZ LYS A 82 -14.765 9.669 17.099 1.00 0.00 N ATOM 0 H LYS A 82 -8.728 10.809 20.837 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.783 10.375 18.118 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.848 9.016 20.062 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.559 10.548 20.530 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.537 10.802 18.254 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.804 9.288 17.762 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.137 8.218 19.723 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.045 9.716 19.760 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.801 7.811 17.389 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.222 8.055 18.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.507 9.340 16.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.136 10.446 17.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.949 10.007 16.550 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.520 12.773 18.056 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.600 14.189 17.860 1.00 0.00 C ATOM 1335 C LEU A 83 -11.868 14.662 18.482 1.00 0.00 C ATOM 1336 O LEU A 83 -12.957 14.200 18.143 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.666 14.504 16.347 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.726 15.984 15.903 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -9.409 16.731 16.166 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -11.093 16.057 14.409 1.00 0.00 C ATOM 0 H LEU A 83 -10.776 12.236 17.228 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.729 14.675 18.300 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.793 14.052 15.876 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.544 14.001 15.942 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.493 16.478 16.500 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.505 17.765 15.836 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.185 16.710 17.233 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.601 16.248 15.616 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.136 17.100 14.095 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.338 15.532 13.823 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.065 15.590 14.250 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.726 15.624 19.411 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.842 16.292 20.003 1.00 0.00 C ATOM 1354 C HIS A 84 -12.427 17.718 20.054 1.00 0.00 C ATOM 1355 O HIS A 84 -12.465 18.370 21.096 1.00 0.00 O ATOM 1356 CB HIS A 84 -13.172 15.782 21.417 1.00 0.00 C ATOM 1357 CG HIS A 84 -13.598 14.345 21.399 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -12.886 13.219 21.630 1.00 0.00 N flip ATOM 1359 CD2 HIS A 84 -14.854 13.958 21.018 1.00 0.00 C flip ATOM 1360 CE1 HIS A 84 -13.719 12.160 21.396 1.00 0.00 C flip ATOM 1361 NE2 HIS A 84 -14.902 12.632 21.027 1.00 0.00 N flip ATOM 0 H HIS A 84 -10.821 15.943 19.757 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.750 16.119 19.425 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.298 15.895 22.059 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.965 16.392 21.849 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -15.667 14.619 20.755 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -13.458 11.117 21.495 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -15.717 12.067 20.789 1.00 0.00 H new ATOM 1370 N GLY A 85 -12.005 18.210 18.875 1.00 0.00 N ATOM 1371 CA GLY A 85 -11.552 19.555 18.696 1.00 0.00 C ATOM 1372 C GLY A 85 -12.672 20.310 18.081 1.00 0.00 C ATOM 1373 O GLY A 85 -13.490 20.915 18.774 1.00 0.00 O ATOM 0 H GLY A 85 -11.978 17.655 18.020 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.267 19.997 19.651 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.670 19.583 18.056 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.710 20.282 16.737 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.695 20.996 15.980 1.00 0.00 C ATOM 1379 C GLY A 86 -12.966 21.650 14.859 1.00 0.00 C ATOM 1380 O GLY A 86 -13.576 22.078 13.880 1.00 0.00 O ATOM 0 H GLY A 86 -12.048 19.757 16.166 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.462 20.319 15.603 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.200 21.737 16.600 1.00 0.00 H new ATOM 1384 N SER A 87 -11.625 21.739 14.998 1.00 0.00 N ATOM 1385 CA SER A 87 -10.778 22.295 13.986 1.00 0.00 C ATOM 1386 C SER A 87 -10.495 21.196 13.002 1.00 0.00 C ATOM 1387 O SER A 87 -10.203 20.086 13.447 1.00 0.00 O ATOM 1388 CB SER A 87 -9.420 22.749 14.543 1.00 0.00 C ATOM 1389 OG SER A 87 -9.608 23.734 15.548 1.00 0.00 O ATOM 0 H SER A 87 -11.124 21.419 15.827 1.00 0.00 H new ATOM 0 HA SER A 87 -11.282 23.159 13.552 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.884 21.895 14.956 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.805 23.152 13.739 1.00 0.00 H new ATOM 0 HG SER A 87 -8.737 24.015 15.897 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.532 21.421 11.694 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.072 20.446 10.744 1.00 0.00 C ATOM 1397 C PRO A 88 -8.583 20.541 10.653 1.00 0.00 C ATOM 1398 O PRO A 88 -7.972 19.575 10.210 1.00 0.00 O ATOM 1399 CB PRO A 88 -10.647 20.881 9.396 1.00 0.00 C ATOM 1400 CG PRO A 88 -11.793 21.832 9.744 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.344 22.449 11.066 1.00 0.00 C ATOM 0 HA PRO A 88 -10.368 19.434 11.021 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -9.892 21.378 8.787 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.004 20.025 8.824 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.936 22.590 8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.739 21.301 9.848 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.771 23.362 10.903 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.198 22.715 11.689 1.00 0.00 H new ATOM 1409 N TRP A 89 -7.998 21.700 11.005 1.00 0.00 N ATOM 1410 CA TRP A 89 -6.619 21.986 10.757 1.00 0.00 C ATOM 1411 C TRP A 89 -5.885 21.879 12.057 1.00 0.00 C ATOM 1412 O TRP A 89 -6.548 21.875 13.091 1.00 0.00 O ATOM 1413 CB TRP A 89 -6.482 23.404 10.180 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.267 23.520 8.898 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -8.438 24.178 8.660 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -6.949 22.799 7.696 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -8.860 23.929 7.377 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -7.956 23.076 6.774 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -5.915 21.959 7.390 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -7.941 22.520 5.527 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -5.905 21.386 6.137 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -6.902 21.663 5.218 1.00 0.00 C ATOM 0 H TRP A 89 -8.496 22.457 11.474 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.203 21.282 10.036 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -6.842 24.136 10.903 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -5.432 23.629 9.994 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -8.956 24.802 9.374 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -9.700 24.310 6.942 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.133 21.752 8.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -8.715 22.742 4.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.107 20.710 5.868 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -6.867 21.201 4.242 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.558 21.791 12.070 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.810 21.680 13.292 1.00 0.00 C ATOM 1435 C PRO A 90 -3.822 23.048 13.946 1.00 0.00 C ATOM 1436 O PRO A 90 -3.744 24.016 13.190 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.390 21.284 12.870 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.320 21.570 11.368 1.00 0.00 C ATOM 1439 CD PRO A 90 -3.768 21.400 10.919 1.00 0.00 C ATOM 0 HA PRO A 90 -4.212 20.950 13.995 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.643 21.860 13.415 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.196 20.232 13.079 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.950 22.575 11.165 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.654 20.876 10.855 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.991 22.026 10.055 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.974 20.370 10.628 1.00 0.00 H new ATOM 1447 N PRO A 91 -3.889 23.222 15.262 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.797 22.166 16.230 1.00 0.00 C ATOM 1449 C PRO A 91 -5.127 21.519 16.390 1.00 0.00 C ATOM 1450 O PRO A 91 -6.159 22.086 16.035 1.00 0.00 O ATOM 1451 CB PRO A 91 -3.448 22.829 17.551 1.00 0.00 C ATOM 1452 CG PRO A 91 -2.803 24.145 17.142 1.00 0.00 C ATOM 1453 CD PRO A 91 -3.521 24.500 15.839 1.00 0.00 C ATOM 0 HA PRO A 91 -3.062 21.422 15.924 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.335 22.992 18.163 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.765 22.215 18.138 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.943 24.915 17.901 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -1.729 24.037 16.993 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.399 25.118 16.026 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -2.871 25.064 15.170 1.00 0.00 H new ATOM 1461 N CYS A 92 -5.062 20.305 16.941 1.00 0.00 N ATOM 1462 CA CYS A 92 -6.182 19.428 17.082 1.00 0.00 C ATOM 1463 C CYS A 92 -6.212 19.102 18.530 1.00 0.00 C ATOM 1464 O CYS A 92 -5.159 18.864 19.120 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.968 18.090 16.350 1.00 0.00 C ATOM 1466 SG CYS A 92 -5.537 18.263 14.594 1.00 0.00 S ATOM 0 H CYS A 92 -4.195 19.912 17.306 1.00 0.00 H new ATOM 0 HA CYS A 92 -7.079 19.900 16.683 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.176 17.535 16.854 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.877 17.494 16.433 1.00 0.00 H new ATOM 1471 N GLN A 93 -7.416 19.068 19.135 1.00 0.00 N ATOM 1472 CA GLN A 93 -7.541 18.639 20.499 1.00 0.00 C ATOM 1473 C GLN A 93 -7.874 17.188 20.466 1.00 0.00 C ATOM 1474 O GLN A 93 -9.026 16.813 20.257 1.00 0.00 O ATOM 1475 CB GLN A 93 -8.650 19.351 21.292 1.00 0.00 C ATOM 1476 CG GLN A 93 -8.407 20.855 21.443 1.00 0.00 C ATOM 1477 CD GLN A 93 -9.530 21.417 22.309 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -10.699 21.443 21.906 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -9.147 21.873 23.540 1.00 0.00 N ATOM 0 H GLN A 93 -8.293 19.334 18.688 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.601 18.872 21.000 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.606 19.191 20.793 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.728 18.900 22.281 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.437 21.042 21.904 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.395 21.341 20.468 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.167 21.826 23.819 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.841 22.260 24.179 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.853 16.338 20.679 1.00 0.00 N ATOM 1489 CA TYR A 94 -7.053 14.922 20.725 1.00 0.00 C ATOM 1490 C TYR A 94 -7.241 14.545 22.148 1.00 0.00 C ATOM 1491 O TYR A 94 -6.303 14.609 22.941 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.837 14.125 20.245 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.774 14.217 18.771 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.756 13.587 18.043 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.756 14.884 18.116 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.769 13.650 16.671 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.772 14.961 16.737 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.782 14.355 16.020 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.763 14.403 14.616 1.00 0.00 O ATOM 0 H TYR A 94 -5.887 16.632 20.820 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.902 14.696 20.080 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.924 14.521 20.689 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.918 13.084 20.557 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.528 13.035 18.558 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.955 15.341 18.678 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.545 13.152 16.109 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.991 15.498 16.219 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.111 13.756 14.275 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.473 14.118 22.482 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.772 13.615 23.789 1.00 0.00 C ATOM 1511 C ARG A 95 -8.460 12.155 23.749 1.00 0.00 C ATOM 1512 O ARG A 95 -8.971 11.429 22.897 1.00 0.00 O ATOM 1513 CB ARG A 95 -10.253 13.816 24.178 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.624 13.433 25.624 1.00 0.00 C ATOM 1515 CD ARG A 95 -9.812 14.146 26.714 1.00 0.00 C ATOM 1516 NE ARG A 95 -9.893 15.617 26.481 1.00 0.00 N ATOM 1517 CZ ARG A 95 -9.207 16.489 27.277 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -8.486 16.029 28.340 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -9.241 17.825 27.004 1.00 0.00 N ATOM 0 H ARG A 95 -9.267 14.121 21.842 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.186 14.153 24.534 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.511 14.863 24.022 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.871 13.230 23.497 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.681 13.648 25.781 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.497 12.357 25.743 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.203 13.897 27.701 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.774 13.816 26.690 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.467 15.976 25.718 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.458 15.030 28.543 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.975 16.684 28.932 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.777 18.169 26.208 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.730 18.480 27.596 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.598 11.707 24.684 1.00 0.00 N ATOM 1534 CA ALA A 96 -7.219 10.328 24.767 1.00 0.00 C ATOM 1535 C ALA A 96 -8.304 9.564 25.443 1.00 0.00 C ATOM 1536 O ALA A 96 -8.709 9.886 26.559 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.973 10.098 25.626 1.00 0.00 C ATOM 0 H ALA A 96 -7.162 12.305 25.386 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.027 10.008 23.743 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.738 9.034 25.649 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.132 10.646 25.201 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.160 10.450 26.640 1.00 0.00 H new ATOM 1543 N THR A 97 -8.766 8.503 24.759 1.00 0.00 N ATOM 1544 CA THR A 97 -9.676 7.543 25.302 1.00 0.00 C ATOM 1545 C THR A 97 -8.844 6.309 25.448 1.00 0.00 C ATOM 1546 O THR A 97 -8.772 5.478 24.543 1.00 0.00 O ATOM 1547 CB THR A 97 -10.862 7.307 24.399 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.465 8.555 24.089 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.896 6.410 25.100 1.00 0.00 C ATOM 0 H THR A 97 -8.497 8.306 23.795 1.00 0.00 H new ATOM 0 HA THR A 97 -10.112 7.875 26.244 1.00 0.00 H new ATOM 0 HB THR A 97 -10.523 6.814 23.488 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.235 8.409 23.501 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.746 6.248 24.437 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.439 5.451 25.345 1.00 0.00 H new ATOM 0 HG23 THR A 97 -12.237 6.894 26.015 1.00 0.00 H new ATOM 1557 N ALA A 98 -8.163 6.195 26.605 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.208 5.150 26.823 1.00 0.00 C ATOM 1559 C ALA A 98 -7.908 3.954 27.375 1.00 0.00 C ATOM 1560 O ALA A 98 -8.682 4.057 28.326 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.092 5.560 27.791 1.00 0.00 C ATOM 0 H ALA A 98 -8.275 6.831 27.394 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.746 4.929 25.861 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.398 4.729 27.919 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.558 6.420 27.387 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.526 5.822 28.756 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.632 2.782 26.770 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.229 1.548 27.183 1.00 0.00 C ATOM 1569 C GLY A 99 -7.200 0.473 27.062 1.00 0.00 C ATOM 1570 O GLY A 99 -6.000 0.733 26.995 1.00 0.00 O ATOM 0 H GLY A 99 -6.987 2.690 25.985 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.584 1.622 28.211 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.095 1.318 26.563 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.670 -0.783 27.050 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.809 -1.924 26.992 1.00 0.00 C ATOM 1576 C PHE A 100 -7.721 -2.942 26.386 1.00 0.00 C ATOM 1577 O PHE A 100 -8.621 -3.448 27.054 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.312 -2.327 28.402 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.429 -3.526 28.372 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -4.112 -3.432 27.962 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.907 -4.738 28.834 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.308 -4.555 27.965 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -5.093 -5.853 28.863 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.792 -5.763 28.418 1.00 0.00 C ATOM 0 H PHE A 100 -8.663 -1.013 27.081 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.888 -1.776 26.428 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.771 -1.492 28.846 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.170 -2.527 29.043 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.712 -2.482 27.640 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.929 -4.814 29.176 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.291 -4.486 27.609 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.475 -6.793 29.233 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.155 -6.635 28.424 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.541 -3.202 25.072 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.588 -3.785 24.280 1.00 0.00 C ATOM 1596 C ARG A 101 -7.990 -4.825 23.388 1.00 0.00 C ATOM 1597 O ARG A 101 -6.809 -4.758 23.046 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.237 -2.742 23.345 1.00 0.00 C ATOM 1599 CG ARG A 101 -10.746 -2.933 23.112 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.196 -2.319 21.777 1.00 0.00 C ATOM 1601 NE ARG A 101 -12.685 -2.269 21.671 1.00 0.00 N ATOM 1602 CZ ARG A 101 -13.433 -3.361 21.332 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -12.851 -4.573 21.107 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -14.787 -3.228 21.204 1.00 0.00 N ATOM 0 H ARG A 101 -6.678 -3.010 24.562 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.333 -4.191 24.964 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.071 -1.749 23.762 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -8.728 -2.773 22.381 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.984 -3.997 23.122 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.302 -2.474 23.930 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -10.790 -1.312 21.683 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.791 -2.904 20.951 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.161 -1.387 21.859 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.840 -4.677 21.191 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -13.427 -5.376 20.855 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.228 -2.322 21.361 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.357 -4.035 20.951 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.830 -5.797 22.969 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.513 -6.677 21.882 1.00 0.00 C ATOM 1620 C ASN A 102 -8.663 -5.871 20.643 1.00 0.00 C ATOM 1621 O ASN A 102 -9.697 -5.246 20.417 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.526 -7.819 21.681 1.00 0.00 C ATOM 1623 CG ASN A 102 -9.354 -8.940 22.704 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -8.403 -8.980 23.492 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -10.323 -9.906 22.633 1.00 0.00 N ATOM 0 H ASN A 102 -9.741 -5.973 23.392 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.527 -7.094 22.090 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.538 -7.419 21.751 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -9.414 -8.228 20.677 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.283 -10.715 23.253 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.084 -9.816 21.960 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.607 -5.888 19.809 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.581 -5.099 18.617 1.00 0.00 C ATOM 1634 C VAL A 103 -7.964 -5.993 17.483 1.00 0.00 C ATOM 1635 O VAL A 103 -7.436 -7.097 17.342 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.247 -4.408 18.376 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.993 -3.465 19.570 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.093 -5.412 18.202 1.00 0.00 C ATOM 0 H VAL A 103 -6.769 -6.450 19.961 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.291 -4.278 18.716 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.290 -3.845 17.444 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.042 -2.951 19.432 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.797 -2.731 19.632 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.960 -4.046 20.492 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.162 -4.871 18.033 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.001 -6.020 19.102 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.298 -6.057 17.348 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.909 -5.522 16.641 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.186 -6.188 15.403 1.00 0.00 C ATOM 1650 C VAL A 104 -8.302 -5.492 14.430 1.00 0.00 C ATOM 1651 O VAL A 104 -8.499 -4.314 14.137 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.622 -6.090 14.927 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -10.791 -6.801 13.572 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.537 -6.756 15.965 1.00 0.00 C ATOM 0 H VAL A 104 -9.474 -4.691 16.816 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.015 -7.259 15.515 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.886 -5.039 14.807 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.828 -6.721 13.246 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.141 -6.334 12.832 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.524 -7.853 13.677 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.573 -6.691 15.632 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.257 -7.803 16.078 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.431 -6.247 16.923 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.306 -6.232 13.910 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.463 -5.711 12.863 1.00 0.00 C ATOM 1666 C VAL A 105 -6.939 -6.418 11.622 1.00 0.00 C ATOM 1667 O VAL A 105 -7.287 -7.598 11.686 1.00 0.00 O ATOM 1668 CB VAL A 105 -4.971 -5.887 13.086 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.531 -5.077 14.313 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.523 -7.336 13.296 1.00 0.00 C ATOM 0 H VAL A 105 -7.081 -7.182 14.206 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.556 -4.626 12.807 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.502 -5.535 12.167 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.460 -5.206 14.469 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.749 -4.022 14.150 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.071 -5.427 15.193 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.444 -7.365 13.447 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.023 -7.748 14.172 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.782 -7.928 12.418 1.00 0.00 H new ATOM 1680 N ALA A 106 -6.985 -5.711 10.470 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.404 -6.324 9.234 1.00 0.00 C ATOM 1682 C ALA A 106 -6.184 -6.827 8.550 1.00 0.00 C ATOM 1683 O ALA A 106 -5.221 -6.081 8.376 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.123 -5.394 8.257 1.00 0.00 C ATOM 0 H ALA A 106 -6.735 -4.725 10.392 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.120 -7.100 9.504 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.397 -5.950 7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.023 -4.998 8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.463 -4.570 7.986 1.00 0.00 H new ATOM 1690 N CYS A 107 -6.212 -8.122 8.169 1.00 0.00 N ATOM 1691 CA CYS A 107 -5.037 -8.813 7.726 1.00 0.00 C ATOM 1692 C CYS A 107 -5.066 -9.080 6.266 1.00 0.00 C ATOM 1693 O CYS A 107 -6.122 -9.255 5.659 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.877 -10.178 8.406 1.00 0.00 C ATOM 1695 SG CYS A 107 -5.096 -10.050 10.196 1.00 0.00 S ATOM 0 H CYS A 107 -7.057 -8.693 8.169 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.210 -8.152 7.986 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.606 -10.878 7.997 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -3.889 -10.582 8.186 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.852 -9.153 5.689 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.639 -9.609 4.353 1.00 0.00 C ATOM 1702 C GLU A 108 -2.317 -10.296 4.425 1.00 0.00 C ATOM 1703 O GLU A 108 -1.343 -9.718 4.906 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.579 -8.470 3.315 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.441 -8.949 1.866 1.00 0.00 C ATOM 1706 CD GLU A 108 -3.706 -7.759 0.955 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -2.992 -6.729 1.093 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.635 -7.862 0.109 1.00 0.00 O ATOM 0 H GLU A 108 -2.993 -8.886 6.169 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.462 -10.243 4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.482 -7.866 3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.737 -7.820 3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.443 -9.350 1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.148 -9.752 1.660 1.00 0.00 H new ATOM 1715 N ASN A 109 -2.277 -11.565 3.952 1.00 0.00 N ATOM 1716 CA ASN A 109 -1.139 -12.463 3.896 1.00 0.00 C ATOM 1717 C ASN A 109 -0.509 -12.792 5.224 1.00 0.00 C ATOM 1718 O ASN A 109 0.666 -13.158 5.283 1.00 0.00 O ATOM 1719 CB ASN A 109 -0.056 -12.148 2.823 1.00 0.00 C ATOM 1720 CG ASN A 109 0.724 -10.836 3.017 1.00 0.00 C ATOM 1721 OD1 ASN A 109 1.612 -10.711 3.867 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.378 -9.835 2.152 1.00 0.00 N ATOM 0 H ASN A 109 -3.116 -12.005 3.574 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.634 -13.370 3.549 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.657 -12.972 2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.538 -12.120 1.846 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.860 -8.937 2.192 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.363 -9.986 1.467 1.00 0.00 H new ATOM 1729 N GLY A 110 -1.286 -12.702 6.325 1.00 0.00 N ATOM 1730 CA GLY A 110 -0.806 -13.052 7.630 1.00 0.00 C ATOM 1731 C GLY A 110 -0.053 -11.911 8.243 1.00 0.00 C ATOM 1732 O GLY A 110 0.728 -12.124 9.169 1.00 0.00 O ATOM 0 H GLY A 110 -2.255 -12.384 6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -1.645 -13.326 8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.159 -13.926 7.562 1.00 0.00 H new ATOM 1736 N LEU A 111 -0.287 -10.675 7.752 1.00 0.00 N ATOM 1737 CA LEU A 111 0.342 -9.515 8.316 1.00 0.00 C ATOM 1738 C LEU A 111 -0.722 -8.444 8.329 1.00 0.00 C ATOM 1739 O LEU A 111 -1.459 -8.353 7.352 1.00 0.00 O ATOM 1740 CB LEU A 111 1.606 -9.151 7.503 1.00 0.00 C ATOM 1741 CG LEU A 111 2.041 -7.681 7.446 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.571 -7.595 7.603 1.00 0.00 C ATOM 1743 CD2 LEU A 111 1.539 -7.015 6.153 1.00 0.00 C ATOM 0 H LEU A 111 -0.909 -10.480 6.968 1.00 0.00 H new ATOM 0 HA LEU A 111 0.706 -9.667 9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.438 -9.727 7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.451 -9.491 6.479 1.00 0.00 H new ATOM 0 HG LEU A 111 1.590 -7.129 8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.883 -6.551 7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.863 -8.024 8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.051 -8.148 6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.858 -5.973 6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.952 -7.538 5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.451 -7.062 6.119 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.870 -7.626 9.362 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.997 -6.744 9.455 1.00 0.00 C ATOM 1757 C PRO A 112 -1.693 -5.490 8.709 1.00 0.00 C ATOM 1758 O PRO A 112 -0.786 -4.766 9.098 1.00 0.00 O ATOM 1759 CB PRO A 112 -2.154 -6.457 10.935 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.803 -6.766 11.577 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.194 -7.802 10.636 1.00 0.00 C ATOM 0 HA PRO A 112 -2.907 -7.171 9.033 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.435 -5.417 11.102 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.941 -7.073 11.369 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.180 -5.875 11.651 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.918 -7.159 12.587 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.881 -7.652 10.532 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.339 -8.812 11.020 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.475 -5.200 7.658 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.247 -4.063 6.821 1.00 0.00 C ATOM 1771 C VAL A 113 -3.040 -2.877 7.252 1.00 0.00 C ATOM 1772 O VAL A 113 -2.684 -1.753 6.905 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.607 -4.308 5.379 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.348 -4.784 4.657 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -3.732 -5.355 5.274 1.00 0.00 C ATOM 0 H VAL A 113 -3.280 -5.763 7.383 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.177 -3.877 6.916 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.975 -3.391 4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.578 -4.970 3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.576 -4.018 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.990 -5.704 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.979 -5.519 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.399 -6.292 5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.615 -4.995 5.803 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.153 -3.095 7.979 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.064 -2.019 8.256 1.00 0.00 C ATOM 1787 C HIS A 114 -5.570 -2.227 9.636 1.00 0.00 C ATOM 1788 O HIS A 114 -5.163 -3.164 10.322 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.303 -2.009 7.348 1.00 0.00 C ATOM 1790 CG HIS A 114 -6.024 -2.167 5.907 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -6.149 -3.302 5.213 1.00 0.00 N flip ATOM 1792 CD2 HIS A 114 -5.657 -1.184 5.033 1.00 0.00 C flip ATOM 1793 CE1 HIS A 114 -5.859 -3.018 3.908 1.00 0.00 C flip ATOM 1794 NE2 HIS A 114 -5.565 -1.727 3.825 1.00 0.00 N flip ATOM 0 H HIS A 114 -4.421 -3.998 8.370 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.521 -1.086 8.102 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -6.972 -2.810 7.663 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.837 -1.071 7.498 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -5.474 -0.149 5.281 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -5.868 -3.721 3.088 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -5.309 -1.232 2.971 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.483 -1.331 10.057 1.00 0.00 N ATOM 1804 CA LEU A 115 -6.996 -1.342 11.389 1.00 0.00 C ATOM 1805 C LEU A 115 -8.455 -1.069 11.299 1.00 0.00 C ATOM 1806 O LEU A 115 -8.890 -0.267 10.474 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.362 -0.223 12.231 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.324 -0.475 13.759 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -5.908 -1.837 14.321 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -5.607 0.632 14.534 1.00 0.00 C ATOM 0 H LEU A 115 -6.867 -0.593 9.467 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.777 -2.303 11.855 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.342 -0.063 11.882 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.910 0.701 12.047 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.401 -0.470 13.928 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.947 -1.809 15.410 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.588 -2.605 13.954 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.892 -2.068 14.000 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.615 0.395 15.598 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.576 0.710 14.188 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.118 1.581 14.370 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.242 -1.734 12.169 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.648 -1.503 12.264 1.00 0.00 C ATOM 1824 C ASP A 116 -10.830 -0.404 13.251 1.00 0.00 C ATOM 1825 O ASP A 116 -10.367 -0.496 14.387 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.411 -2.727 12.779 1.00 0.00 C ATOM 1827 CG ASP A 116 -11.519 -3.752 11.657 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -10.464 -4.269 11.204 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -12.673 -4.031 11.237 1.00 0.00 O ATOM 0 H ASP A 116 -8.894 -2.442 12.815 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.035 -1.267 11.273 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -10.894 -3.160 13.636 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.405 -2.436 13.120 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.514 0.672 12.808 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.654 1.883 13.564 1.00 0.00 C ATOM 1836 C GLN A 117 -13.087 2.029 13.970 1.00 0.00 C ATOM 1837 O GLN A 117 -13.492 3.098 14.424 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.320 3.133 12.718 1.00 0.00 C ATOM 1839 CG GLN A 117 -9.925 3.151 12.066 1.00 0.00 C ATOM 1840 CD GLN A 117 -8.854 3.569 13.075 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.346 4.694 13.011 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -8.497 2.635 14.004 1.00 0.00 N ATOM 0 H GLN A 117 -11.981 0.700 11.902 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.973 1.818 14.413 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.069 3.226 11.931 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.414 4.014 13.353 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.691 2.162 11.671 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.923 3.840 11.222 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -8.951 1.722 14.009 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -7.776 2.850 14.693 1.00 0.00 H new ATOM 1851 N SER A 118 -13.892 0.956 13.796 1.00 0.00 N ATOM 1852 CA SER A 118 -15.311 0.993 14.026 1.00 0.00 C ATOM 1853 C SER A 118 -15.560 0.610 15.446 1.00 0.00 C ATOM 1854 O SER A 118 -16.495 1.096 16.084 1.00 0.00 O ATOM 1855 CB SER A 118 -16.076 0.006 13.128 1.00 0.00 C ATOM 1856 OG SER A 118 -17.474 0.094 13.366 1.00 0.00 O ATOM 0 H SER A 118 -13.550 0.045 13.490 1.00 0.00 H new ATOM 0 HA SER A 118 -15.662 2.000 13.799 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.866 0.221 12.080 1.00 0.00 H new ATOM 0 HB3 SER A 118 -15.732 -1.010 13.320 1.00 0.00 H new ATOM 0 HG SER A 118 -17.945 -0.539 12.785 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.689 -0.280 15.964 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.702 -0.724 17.328 1.00 0.00 C ATOM 1864 C ILE A 119 -14.107 0.301 18.220 1.00 0.00 C ATOM 1865 O ILE A 119 -14.398 0.329 19.413 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.863 -1.950 17.580 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -12.704 -2.099 16.573 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -14.794 -3.159 17.626 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -11.854 -3.337 16.843 1.00 0.00 C ATOM 0 H ILE A 119 -13.946 -0.707 15.411 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.754 -0.927 17.526 1.00 0.00 H new ATOM 0 HB ILE A 119 -13.358 -1.859 18.541 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -13.109 -2.153 15.563 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -12.073 -1.212 16.616 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -14.210 -4.061 17.808 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -15.520 -3.029 18.429 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -15.318 -3.251 16.675 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -11.052 -3.396 16.107 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -11.425 -3.272 17.843 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -12.477 -4.229 16.773 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.220 1.148 17.656 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.431 2.061 18.424 1.00 0.00 C ATOM 1883 C PHE A 120 -13.065 3.414 18.337 1.00 0.00 C ATOM 1884 O PHE A 120 -12.405 4.434 18.507 1.00 0.00 O ATOM 1885 CB PHE A 120 -10.986 2.164 17.904 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.247 0.854 17.895 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.592 -0.270 18.640 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.131 0.776 17.083 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.813 -1.410 18.573 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.373 -0.366 17.010 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.710 -1.465 17.754 1.00 0.00 C ATOM 0 H PHE A 120 -13.050 1.197 16.651 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.391 1.695 19.450 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.002 2.568 16.892 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.438 2.875 18.522 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.469 -0.251 19.271 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -8.849 1.634 16.492 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -10.074 -2.270 19.172 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.508 -0.398 16.364 1.00 0.00 H new ATOM 0 HZ PHE A 120 -8.116 -2.365 17.698 1.00 0.00 H new