USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 830 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 72 ASN : amide:sc= 0 X(o=-0.079,f=-0.35) USER MOD Set 1.2: A 78 ASN : amide:sc= -0.0785 X(o=-0.079,f=-0.26) USER MOD Set 2.1: A 19 SER OG : rot 180:sc= -0.328 USER MOD Set 2.2: A 66 TYR OH : rot -68:sc= -0.488 USER MOD Set 2.3: A 70 MET CE :methyl 177:sc= -2.76 (180deg=-2.46) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.118 F(o=-0.68,f=-0.12) USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= -2.1 (180deg=-2.19) USER MOD Single : A 25 MET CE :methyl -165:sc= -4.71! (180deg=-5.04!) USER MOD Single : A 26 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00353) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.107 USER MOD Single : A 32 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 139:sc= -0.405 (180deg=-1.55!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 77:sc= 1.16 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00252 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.297 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= 0.0892 (180deg=0.0248) USER MOD Single : A 68 SER OG : rot 90:sc= 0.0308 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.684 X(o=-0.68,f=-0.2) USER MOD Single : A 83 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.933) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 140:sc= -0.969 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -9.065 15.968 1.886 1.00 0.00 N ATOM 78 CA ALA A 9 -7.909 15.230 1.393 1.00 0.00 C ATOM 79 C ALA A 9 -7.667 13.972 2.219 1.00 0.00 C ATOM 80 O ALA A 9 -7.654 12.861 1.688 1.00 0.00 O ATOM 81 CB ALA A 9 -6.673 16.117 1.404 1.00 0.00 C ATOM 0 HA ALA A 9 -8.115 14.925 0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.817 15.553 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.841 16.983 0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.474 16.451 2.422 1.00 0.00 H new ATOM 87 N ASP A 10 -7.475 14.153 3.521 1.00 0.00 N ATOM 88 CA ASP A 10 -7.234 13.031 4.422 1.00 0.00 C ATOM 89 C ASP A 10 -8.167 11.868 4.103 1.00 0.00 C ATOM 90 O ASP A 10 -7.735 10.719 4.016 1.00 0.00 O ATOM 91 CB ASP A 10 -7.420 13.468 5.876 1.00 0.00 C ATOM 92 CG ASP A 10 -7.004 12.393 6.861 1.00 0.00 C ATOM 93 OD1 ASP A 10 -7.665 11.334 6.898 1.00 0.00 O ATOM 94 OD2 ASP A 10 -6.018 12.611 7.594 1.00 0.00 O ATOM 0 H ASP A 10 -7.481 15.066 3.976 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.206 12.697 4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.836 14.370 6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.466 13.726 6.044 1.00 0.00 H new ATOM 99 N GLN A 11 -9.449 12.175 3.931 1.00 0.00 N ATOM 100 CA GLN A 11 -10.444 11.154 3.624 1.00 0.00 C ATOM 101 C GLN A 11 -9.994 10.290 2.450 1.00 0.00 C ATOM 102 O GLN A 11 -10.038 9.062 2.518 1.00 0.00 O ATOM 103 CB GLN A 11 -11.792 11.803 3.307 1.00 0.00 C ATOM 104 CG GLN A 11 -12.985 10.920 3.634 1.00 0.00 C ATOM 105 CD GLN A 11 -14.306 11.652 3.504 1.00 0.00 C ATOM 106 OE1 GLN A 11 -14.603 12.240 2.464 1.00 0.00 O ATOM 107 NE2 GLN A 11 -15.108 11.621 4.562 1.00 0.00 N ATOM 0 H GLN A 11 -9.823 13.122 3.999 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.554 10.516 4.501 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.877 12.735 3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.821 12.061 2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.986 10.056 2.969 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -12.883 10.540 4.651 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -14.822 11.122 5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.010 12.097 4.532 1.00 0.00 H new ATOM 116 N ILE A 12 -9.560 10.941 1.376 1.00 0.00 N ATOM 117 CA ILE A 12 -9.102 10.232 0.188 1.00 0.00 C ATOM 118 C ILE A 12 -8.124 9.121 0.554 1.00 0.00 C ATOM 119 O ILE A 12 -8.306 7.967 0.165 1.00 0.00 O ATOM 120 CB ILE A 12 -8.423 11.189 -0.811 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.400 12.283 -1.246 1.00 0.00 C ATOM 122 CG2 ILE A 12 -7.911 10.417 -2.018 1.00 0.00 C ATOM 123 CD1 ILE A 12 -8.736 13.431 -1.975 1.00 0.00 C ATOM 0 H ILE A 12 -9.516 11.958 1.304 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.985 9.796 -0.280 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.573 11.662 -0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.160 11.844 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.914 12.670 -0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.434 11.106 -2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.186 9.671 -1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.746 9.920 -2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.488 14.169 -2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.995 13.896 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.245 13.056 -2.873 1.00 0.00 H new ATOM 135 N ARG A 13 -7.087 9.476 1.306 1.00 0.00 N ATOM 136 CA ARG A 13 -6.081 8.508 1.725 1.00 0.00 C ATOM 137 C ARG A 13 -6.714 7.385 2.541 1.00 0.00 C ATOM 138 O ARG A 13 -6.465 6.206 2.288 1.00 0.00 O ATOM 139 CB ARG A 13 -4.991 9.198 2.548 1.00 0.00 C ATOM 140 CG ARG A 13 -3.967 9.939 1.703 1.00 0.00 C ATOM 141 CD ARG A 13 -2.963 10.683 2.569 1.00 0.00 C ATOM 142 NE ARG A 13 -1.990 9.781 3.178 1.00 0.00 N ATOM 143 CZ ARG A 13 -2.204 9.129 4.316 1.00 0.00 C ATOM 144 NH1 ARG A 13 -3.351 9.278 4.963 1.00 0.00 N ATOM 145 NH2 ARG A 13 -1.270 8.325 4.807 1.00 0.00 N ATOM 0 H ARG A 13 -6.922 10.426 1.637 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.633 8.076 0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.458 9.901 3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.478 8.451 3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.442 9.231 1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.477 10.645 1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.441 11.424 1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.492 11.227 3.351 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.097 9.644 2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.072 9.894 4.588 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.513 8.776 5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.387 8.207 4.311 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.435 7.825 5.681 1.00 0.00 H new ATOM 159 N GLN A 14 -7.531 7.759 3.520 1.00 0.00 N ATOM 160 CA GLN A 14 -8.198 6.783 4.373 1.00 0.00 C ATOM 161 C GLN A 14 -9.020 5.804 3.541 1.00 0.00 C ATOM 162 O GLN A 14 -9.012 4.600 3.793 1.00 0.00 O ATOM 163 CB GLN A 14 -9.098 7.490 5.387 1.00 0.00 C ATOM 164 CG GLN A 14 -9.977 6.542 6.186 1.00 0.00 C ATOM 165 CD GLN A 14 -9.266 5.965 7.394 1.00 0.00 C ATOM 166 OE1 GLN A 14 -8.037 5.986 7.474 1.00 0.00 O ATOM 167 NE2 GLN A 14 -10.036 5.444 8.342 1.00 0.00 N ATOM 0 H GLN A 14 -7.747 8.731 3.742 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.431 6.222 4.908 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.476 8.062 6.075 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.732 8.204 4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.871 7.072 6.514 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.307 5.728 5.541 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.050 5.448 8.235 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.613 5.040 9.178 1.00 0.00 H new ATOM 176 N SER A 15 -9.730 6.331 2.548 1.00 0.00 N ATOM 177 CA SER A 15 -10.561 5.505 1.680 1.00 0.00 C ATOM 178 C SER A 15 -9.705 4.540 0.865 1.00 0.00 C ATOM 179 O SER A 15 -9.891 3.325 0.924 1.00 0.00 O ATOM 180 CB SER A 15 -11.391 6.385 0.744 1.00 0.00 C ATOM 181 OG SER A 15 -12.332 5.613 0.018 1.00 0.00 O ATOM 0 H SER A 15 -9.746 7.326 2.325 1.00 0.00 H new ATOM 0 HA SER A 15 -11.234 4.923 2.310 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.911 7.148 1.323 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.731 6.907 0.050 1.00 0.00 H new ATOM 0 HG SER A 15 -12.851 6.199 -0.572 1.00 0.00 H new ATOM 187 N VAL A 16 -8.766 5.092 0.103 1.00 0.00 N ATOM 188 CA VAL A 16 -7.880 4.282 -0.724 1.00 0.00 C ATOM 189 C VAL A 16 -7.555 2.955 -0.047 1.00 0.00 C ATOM 190 O VAL A 16 -7.693 1.890 -0.648 1.00 0.00 O ATOM 191 CB VAL A 16 -6.565 5.024 -1.031 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.670 4.178 -1.924 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.853 6.372 -1.674 1.00 0.00 C ATOM 0 H VAL A 16 -8.599 6.096 0.041 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.408 4.090 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.039 5.199 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.746 4.719 -2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.437 3.239 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.185 3.969 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.913 6.883 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.401 6.222 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.452 6.979 -0.995 1.00 0.00 H new ATOM 203 N ARG A 17 -7.125 3.028 1.208 1.00 0.00 N ATOM 204 CA ARG A 17 -6.780 1.832 1.968 1.00 0.00 C ATOM 205 C ARG A 17 -7.858 0.763 1.818 1.00 0.00 C ATOM 206 O ARG A 17 -7.647 -0.258 1.162 1.00 0.00 O ATOM 207 CB ARG A 17 -6.593 2.178 3.447 1.00 0.00 C ATOM 208 CG ARG A 17 -5.634 3.333 3.685 1.00 0.00 C ATOM 209 CD ARG A 17 -5.196 3.402 5.140 1.00 0.00 C ATOM 210 NE ARG A 17 -4.691 4.725 5.497 1.00 0.00 N ATOM 211 CZ ARG A 17 -4.454 5.108 6.747 1.00 0.00 C ATOM 212 NH1 ARG A 17 -4.674 4.273 7.753 1.00 0.00 N ATOM 213 NH2 ARG A 17 -3.994 6.328 6.992 1.00 0.00 N ATOM 0 H ARG A 17 -7.007 3.902 1.720 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.844 1.438 1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.562 2.427 3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.226 1.297 3.974 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.759 3.219 3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.114 4.270 3.403 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.038 3.149 5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.421 2.657 5.321 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.510 5.391 4.746 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.026 3.334 7.568 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.491 4.570 8.712 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.822 6.973 6.220 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.812 6.621 7.952 1.00 0.00 H new ATOM 227 N HIS A 18 -9.013 1.004 2.429 1.00 0.00 N ATOM 228 CA HIS A 18 -10.125 0.062 2.363 1.00 0.00 C ATOM 229 C HIS A 18 -10.176 -0.624 1.001 1.00 0.00 C ATOM 230 O HIS A 18 -10.083 -1.848 0.907 1.00 0.00 O ATOM 231 CB HIS A 18 -11.447 0.780 2.636 1.00 0.00 C ATOM 232 CG HIS A 18 -12.640 0.073 2.069 1.00 0.00 C ATOM 233 ND1 HIS A 18 -12.976 -1.238 2.072 1.00 0.00 N flip ATOM 234 CD2 HIS A 18 -13.655 0.727 1.402 1.00 0.00 C flip ATOM 235 CE1 HIS A 18 -14.176 -1.352 1.414 1.00 0.00 C flip ATOM 236 NE2 HIS A 18 -14.564 -0.152 1.021 1.00 0.00 N flip ATOM 0 H HIS A 18 -9.204 1.844 2.976 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.970 -0.699 3.128 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.577 0.888 3.713 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.398 1.786 2.218 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.699 1.791 1.220 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.715 -2.273 1.245 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -15.421 0.060 0.510 1.00 0.00 H new ATOM 245 N SER A 19 -10.324 0.174 -0.052 1.00 0.00 N ATOM 246 CA SER A 19 -10.392 -0.356 -1.409 1.00 0.00 C ATOM 247 C SER A 19 -9.354 -1.455 -1.615 1.00 0.00 C ATOM 248 O SER A 19 -9.675 -2.549 -2.081 1.00 0.00 O ATOM 249 CB SER A 19 -10.176 0.764 -2.428 1.00 0.00 C ATOM 250 OG SER A 19 -10.849 0.485 -3.643 1.00 0.00 O ATOM 0 H SER A 19 -10.399 1.189 0.009 1.00 0.00 H new ATOM 0 HA SER A 19 -11.383 -0.785 -1.557 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.536 1.708 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.110 0.886 -2.619 1.00 0.00 H new ATOM 0 HG SER A 19 -10.696 1.217 -4.277 1.00 0.00 H new ATOM 256 N LEU A 20 -8.108 -1.156 -1.265 1.00 0.00 N ATOM 257 CA LEU A 20 -7.021 -2.118 -1.411 1.00 0.00 C ATOM 258 C LEU A 20 -7.249 -3.338 -0.525 1.00 0.00 C ATOM 259 O LEU A 20 -7.248 -4.473 -1.000 1.00 0.00 O ATOM 260 CB LEU A 20 -5.684 -1.462 -1.062 1.00 0.00 C ATOM 261 CG LEU A 20 -5.241 -0.314 -1.969 1.00 0.00 C ATOM 262 CD1 LEU A 20 -4.169 0.522 -1.288 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.737 -0.850 -3.301 1.00 0.00 C ATOM 0 H LEU A 20 -7.825 -0.256 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.998 -2.447 -2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.742 -1.089 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.911 -2.230 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.103 0.325 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.866 1.334 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.565 0.937 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.306 -0.105 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.426 -0.019 -3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.889 -1.512 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.535 -1.404 -3.796 1.00 0.00 H new ATOM 275 N LYS A 21 -7.448 -3.095 0.766 1.00 0.00 N ATOM 276 CA LYS A 21 -7.682 -4.172 1.721 1.00 0.00 C ATOM 277 C LYS A 21 -8.867 -5.032 1.291 1.00 0.00 C ATOM 278 O LYS A 21 -8.958 -6.205 1.653 1.00 0.00 O ATOM 279 CB LYS A 21 -7.935 -3.599 3.117 1.00 0.00 C ATOM 280 CG LYS A 21 -7.703 -4.599 4.236 1.00 0.00 C ATOM 281 CD LYS A 21 -7.954 -3.977 5.600 1.00 0.00 C ATOM 282 CE LYS A 21 -9.277 -3.228 5.636 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.118 -1.803 5.233 1.00 0.00 N ATOM 0 H LYS A 21 -7.452 -2.161 1.175 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.791 -4.799 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.285 -2.738 3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.962 -3.237 3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.360 -5.458 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.679 -4.970 4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.955 -4.757 6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.141 -3.293 5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.989 -3.716 4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.695 -3.277 6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.055 -1.376 5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.612 -1.285 5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.575 -1.751 4.348 1.00 0.00 H new ATOM 297 N ASP A 22 -9.770 -4.442 0.516 1.00 0.00 N ATOM 298 CA ASP A 22 -10.947 -5.155 0.034 1.00 0.00 C ATOM 299 C ASP A 22 -10.558 -6.222 -0.983 1.00 0.00 C ATOM 300 O ASP A 22 -11.088 -7.333 -0.966 1.00 0.00 O ATOM 301 CB ASP A 22 -11.943 -4.176 -0.590 1.00 0.00 C ATOM 302 CG ASP A 22 -13.378 -4.646 -0.456 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.963 -4.464 0.632 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.917 -5.194 -1.440 1.00 0.00 O ATOM 0 H ASP A 22 -9.709 -3.472 0.208 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.418 -5.646 0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.837 -3.201 -0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.704 -4.043 -1.645 1.00 0.00 H new ATOM 309 N ILE A 23 -9.629 -5.877 -1.869 1.00 0.00 N ATOM 310 CA ILE A 23 -9.169 -6.806 -2.894 1.00 0.00 C ATOM 311 C ILE A 23 -8.319 -7.917 -2.288 1.00 0.00 C ATOM 312 O ILE A 23 -8.662 -9.096 -2.378 1.00 0.00 O ATOM 313 CB ILE A 23 -8.351 -6.084 -3.981 1.00 0.00 C ATOM 314 CG1 ILE A 23 -9.275 -5.272 -4.891 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.547 -7.088 -4.794 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.538 -4.329 -5.815 1.00 0.00 C ATOM 0 H ILE A 23 -9.180 -4.961 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.059 -7.240 -3.349 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.656 -5.399 -3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.876 -5.957 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.965 -4.697 -4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.974 -6.562 -5.558 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.865 -7.626 -4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.225 -7.796 -5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.256 -3.787 -6.430 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.958 -3.620 -5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.868 -4.899 -6.458 1.00 0.00 H new ATOM 328 N LEU A 24 -7.208 -7.533 -1.667 1.00 0.00 N ATOM 329 CA LEU A 24 -6.308 -8.496 -1.043 1.00 0.00 C ATOM 330 C LEU A 24 -7.070 -9.420 -0.098 1.00 0.00 C ATOM 331 O LEU A 24 -6.594 -10.500 0.248 1.00 0.00 O ATOM 332 CB LEU A 24 -5.200 -7.769 -0.280 1.00 0.00 C ATOM 333 CG LEU A 24 -4.377 -6.764 -1.088 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.555 -5.881 -0.162 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.476 -7.487 -2.078 1.00 0.00 C ATOM 0 H LEU A 24 -6.910 -6.561 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.860 -9.101 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.650 -7.245 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.521 -8.515 0.134 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.062 -6.128 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.976 -5.172 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.221 -5.336 0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.878 -6.501 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.898 -6.757 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.797 -8.147 -1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.086 -8.076 -2.762 1.00 0.00 H new ATOM 347 N MET A 25 -8.257 -8.987 0.315 1.00 0.00 N ATOM 348 CA MET A 25 -9.087 -9.777 1.217 1.00 0.00 C ATOM 349 C MET A 25 -9.672 -10.988 0.498 1.00 0.00 C ATOM 350 O MET A 25 -9.421 -12.131 0.881 1.00 0.00 O ATOM 351 CB MET A 25 -10.214 -8.917 1.793 1.00 0.00 C ATOM 352 CG MET A 25 -9.834 -8.197 3.076 1.00 0.00 C ATOM 353 SD MET A 25 -10.180 -9.176 4.550 1.00 0.00 S ATOM 354 CE MET A 25 -8.521 -9.475 5.155 1.00 0.00 C ATOM 0 H MET A 25 -8.665 -8.094 0.039 1.00 0.00 H new ATOM 0 HA MET A 25 -8.457 -10.131 2.033 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.515 -8.180 1.048 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.081 -9.549 1.984 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.773 -7.951 3.049 1.00 0.00 H new ATOM 0 HG3 MET A 25 -10.379 -7.255 3.134 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.542 -10.275 5.895 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.878 -9.765 4.324 1.00 0.00 H new ATOM 0 HE3 MET A 25 -8.132 -8.566 5.615 1.00 0.00 H new ATOM 364 N LYS A 26 -10.453 -10.731 -0.546 1.00 0.00 N ATOM 365 CA LYS A 26 -11.073 -11.799 -1.320 1.00 0.00 C ATOM 366 C LYS A 26 -10.020 -12.614 -2.064 1.00 0.00 C ATOM 367 O LYS A 26 -10.251 -13.772 -2.414 1.00 0.00 O ATOM 368 CB LYS A 26 -12.080 -11.218 -2.315 1.00 0.00 C ATOM 369 CG LYS A 26 -11.432 -10.544 -3.513 1.00 0.00 C ATOM 370 CD LYS A 26 -11.205 -11.527 -4.650 1.00 0.00 C ATOM 371 CE LYS A 26 -12.402 -11.580 -5.587 1.00 0.00 C ATOM 372 NZ LYS A 26 -12.434 -10.414 -6.512 1.00 0.00 N ATOM 0 H LYS A 26 -10.672 -9.791 -0.876 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.595 -12.459 -0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.732 -12.017 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.712 -10.495 -1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.065 -9.727 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.480 -10.106 -3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.316 -11.238 -5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.017 -12.520 -4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.369 -12.503 -6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.321 -11.604 -5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.414 -10.232 -6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.057 -9.575 -6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.853 -10.619 -7.350 1.00 0.00 H new ATOM 386 N ARG A 27 -8.863 -12.003 -2.300 1.00 0.00 N ATOM 387 CA ARG A 27 -7.775 -12.673 -3.002 1.00 0.00 C ATOM 388 C ARG A 27 -7.031 -13.625 -2.069 1.00 0.00 C ATOM 389 O ARG A 27 -6.699 -14.749 -2.448 1.00 0.00 O ATOM 390 CB ARG A 27 -6.802 -11.643 -3.579 1.00 0.00 C ATOM 391 CG ARG A 27 -7.441 -10.699 -4.584 1.00 0.00 C ATOM 392 CD ARG A 27 -7.705 -11.393 -5.911 1.00 0.00 C ATOM 393 NE ARG A 27 -6.479 -11.914 -6.510 1.00 0.00 N ATOM 394 CZ ARG A 27 -6.459 -12.673 -7.600 1.00 0.00 C ATOM 395 NH1 ARG A 27 -7.592 -12.999 -8.206 1.00 0.00 N ATOM 396 NH2 ARG A 27 -5.304 -13.109 -8.085 1.00 0.00 N ATOM 0 H ARG A 27 -8.655 -11.046 -2.015 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.205 -13.254 -3.818 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.378 -11.058 -2.762 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.975 -12.166 -4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.378 -10.316 -4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.788 -9.841 -4.745 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.410 -12.210 -5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.175 -10.691 -6.600 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.590 -11.682 -6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.482 -12.667 -7.836 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.573 -13.582 -9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.430 -12.862 -7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.290 -13.692 -8.922 1.00 0.00 H new ATOM 410 N LEU A 28 -6.771 -13.167 -0.850 1.00 0.00 N ATOM 411 CA LEU A 28 -6.066 -13.977 0.138 1.00 0.00 C ATOM 412 C LEU A 28 -6.984 -15.046 0.722 1.00 0.00 C ATOM 413 O LEU A 28 -6.580 -16.194 0.907 1.00 0.00 O ATOM 414 CB LEU A 28 -5.520 -13.090 1.258 1.00 0.00 C ATOM 415 CG LEU A 28 -6.516 -12.699 2.351 1.00 0.00 C ATOM 416 CD1 LEU A 28 -6.706 -13.844 3.333 1.00 0.00 C ATOM 417 CD2 LEU A 28 -6.049 -11.445 3.075 1.00 0.00 C ATOM 0 H LEU A 28 -7.038 -12.239 -0.521 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.234 -14.473 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.681 -13.605 1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.124 -12.178 0.812 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.476 -12.486 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.418 -13.548 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.086 -14.718 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.750 -14.088 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.770 -11.182 3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.077 -11.630 3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.965 -10.624 2.363 1.00 0.00 H new ATOM 429 N THR A 29 -8.224 -14.661 1.009 1.00 0.00 N ATOM 430 CA THR A 29 -9.200 -15.586 1.570 1.00 0.00 C ATOM 431 C THR A 29 -9.504 -16.721 0.600 1.00 0.00 C ATOM 432 O THR A 29 -9.942 -17.798 1.006 1.00 0.00 O ATOM 433 CB THR A 29 -10.515 -14.866 1.928 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.290 -15.676 2.819 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.324 -14.564 0.676 1.00 0.00 C ATOM 0 H THR A 29 -8.575 -13.715 0.862 1.00 0.00 H new ATOM 0 HA THR A 29 -8.759 -15.997 2.478 1.00 0.00 H new ATOM 0 HB THR A 29 -10.267 -13.924 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.123 -15.211 3.043 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.248 -14.056 0.953 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.743 -13.924 0.013 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.562 -15.496 0.163 1.00 0.00 H new ATOM 443 N ASP A 30 -9.268 -16.475 -0.684 1.00 0.00 N ATOM 444 CA ASP A 30 -9.514 -17.478 -1.713 1.00 0.00 C ATOM 445 C ASP A 30 -8.266 -18.318 -1.964 1.00 0.00 C ATOM 446 O ASP A 30 -8.354 -19.462 -2.410 1.00 0.00 O ATOM 447 CB ASP A 30 -9.962 -16.807 -3.013 1.00 0.00 C ATOM 448 CG ASP A 30 -10.540 -17.797 -4.006 1.00 0.00 C ATOM 449 OD1 ASP A 30 -9.890 -18.833 -4.259 1.00 0.00 O ATOM 450 OD2 ASP A 30 -11.644 -17.535 -4.529 1.00 0.00 O ATOM 0 H ASP A 30 -8.906 -15.589 -1.037 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.308 -18.136 -1.360 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.709 -16.046 -2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.113 -16.296 -3.466 1.00 0.00 H new ATOM 455 N SER A 31 -7.103 -17.742 -1.675 1.00 0.00 N ATOM 456 CA SER A 31 -5.836 -18.435 -1.873 1.00 0.00 C ATOM 457 C SER A 31 -5.371 -19.098 -0.580 1.00 0.00 C ATOM 458 O SER A 31 -5.815 -18.738 0.509 1.00 0.00 O ATOM 459 CB SER A 31 -4.769 -17.458 -2.371 1.00 0.00 C ATOM 460 OG SER A 31 -3.508 -18.096 -2.486 1.00 0.00 O ATOM 0 H SER A 31 -7.013 -16.797 -1.303 1.00 0.00 H new ATOM 0 HA SER A 31 -5.988 -19.210 -2.624 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.065 -17.053 -3.339 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.693 -16.616 -1.683 1.00 0.00 H new ATOM 0 HG SER A 31 -2.843 -17.452 -2.808 1.00 0.00 H new ATOM 466 N ASN A 32 -4.474 -20.070 -0.710 1.00 0.00 N ATOM 467 CA ASN A 32 -3.948 -20.785 0.447 1.00 0.00 C ATOM 468 C ASN A 32 -3.350 -19.814 1.461 1.00 0.00 C ATOM 469 O ASN A 32 -3.147 -20.161 2.625 1.00 0.00 O ATOM 470 CB ASN A 32 -2.889 -21.798 0.009 1.00 0.00 C ATOM 471 CG ASN A 32 -3.496 -23.022 -0.649 1.00 0.00 C ATOM 472 OD1 ASN A 32 -3.289 -23.270 -1.836 1.00 0.00 O ATOM 473 ND2 ASN A 32 -4.252 -23.794 0.123 1.00 0.00 N ATOM 0 H ASN A 32 -4.096 -20.381 -1.605 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.774 -21.315 0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.199 -21.320 -0.686 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.305 -22.107 0.876 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.688 -24.631 -0.264 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.397 -23.550 1.103 1.00 0.00 H new ATOM 480 N LEU A 33 -3.072 -18.595 1.011 1.00 0.00 N ATOM 481 CA LEU A 33 -2.498 -17.572 1.879 1.00 0.00 C ATOM 482 C LEU A 33 -3.109 -17.637 3.275 1.00 0.00 C ATOM 483 O LEU A 33 -2.401 -17.799 4.268 1.00 0.00 O ATOM 484 CB LEU A 33 -2.718 -16.183 1.277 1.00 0.00 C ATOM 485 CG LEU A 33 -1.862 -15.837 0.058 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.230 -14.462 -0.479 1.00 0.00 C ATOM 487 CD2 LEU A 33 -0.383 -15.896 0.411 1.00 0.00 C ATOM 0 H LEU A 33 -3.235 -18.291 0.051 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.428 -17.760 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.767 -16.092 0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.530 -15.439 2.051 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.058 -16.573 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.611 -14.232 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.280 -14.454 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.063 -13.713 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.211 -15.647 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.170 -15.182 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.129 -16.901 0.748 1.00 0.00 H new ATOM 499 N LYS A 34 -4.430 -17.510 3.343 1.00 0.00 N ATOM 500 CA LYS A 34 -5.140 -17.557 4.616 1.00 0.00 C ATOM 501 C LYS A 34 -4.515 -16.596 5.623 1.00 0.00 C ATOM 502 O LYS A 34 -4.609 -16.801 6.833 1.00 0.00 O ATOM 503 CB LYS A 34 -5.126 -18.981 5.178 1.00 0.00 C ATOM 504 CG LYS A 34 -6.271 -19.843 4.677 1.00 0.00 C ATOM 505 CD LYS A 34 -7.593 -19.437 5.307 1.00 0.00 C ATOM 506 CE LYS A 34 -7.851 -20.196 6.599 1.00 0.00 C ATOM 507 NZ LYS A 34 -7.080 -19.627 7.740 1.00 0.00 N ATOM 0 H LYS A 34 -5.031 -17.374 2.530 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.172 -17.252 4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.182 -19.457 4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.167 -18.934 6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.343 -19.759 3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.066 -20.889 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.588 -18.366 5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.405 -19.625 4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.916 -20.168 6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.581 -21.244 6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.679 -19.611 8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.241 -20.214 7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.782 -18.658 7.508 1.00 0.00 H new ATOM 521 N VAL A 35 -3.879 -15.545 5.114 1.00 0.00 N ATOM 522 CA VAL A 35 -3.241 -14.551 5.969 1.00 0.00 C ATOM 523 C VAL A 35 -4.275 -13.790 6.792 1.00 0.00 C ATOM 524 O VAL A 35 -5.425 -13.621 6.387 1.00 0.00 O ATOM 525 CB VAL A 35 -2.419 -13.545 5.142 1.00 0.00 C ATOM 526 CG1 VAL A 35 -1.399 -14.271 4.278 1.00 0.00 C ATOM 527 CG2 VAL A 35 -3.335 -12.682 4.289 1.00 0.00 C ATOM 0 H VAL A 35 -3.792 -15.360 4.115 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.573 -15.091 6.639 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.879 -12.893 5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.828 -13.544 3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.723 -14.841 4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.915 -14.949 3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.737 -11.977 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.904 -13.317 3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.021 -12.133 4.933 1.00 0.00 H new ATOM 537 N PRO A 36 -3.858 -13.320 7.977 1.00 0.00 N ATOM 538 CA PRO A 36 -4.731 -12.568 8.883 1.00 0.00 C ATOM 539 C PRO A 36 -5.073 -11.184 8.342 1.00 0.00 C ATOM 540 O PRO A 36 -4.217 -10.497 7.785 1.00 0.00 O ATOM 541 CB PRO A 36 -3.901 -12.452 10.163 1.00 0.00 C ATOM 542 CG PRO A 36 -2.486 -12.557 9.707 1.00 0.00 C ATOM 543 CD PRO A 36 -2.500 -13.485 8.523 1.00 0.00 C ATOM 0 HA PRO A 36 -5.692 -13.063 9.026 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.085 -11.504 10.669 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.149 -13.244 10.869 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.091 -11.579 9.432 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.848 -12.946 10.500 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.737 -13.216 7.792 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.308 -14.517 8.818 1.00 0.00 H new ATOM 551 N GLU A 37 -6.328 -10.780 8.511 1.00 0.00 N ATOM 552 CA GLU A 37 -6.781 -9.477 8.040 1.00 0.00 C ATOM 553 C GLU A 37 -5.744 -8.399 8.339 1.00 0.00 C ATOM 554 O GLU A 37 -5.637 -7.408 7.617 1.00 0.00 O ATOM 555 CB GLU A 37 -8.117 -9.110 8.690 1.00 0.00 C ATOM 556 CG GLU A 37 -8.602 -7.714 8.338 1.00 0.00 C ATOM 557 CD GLU A 37 -10.071 -7.510 8.656 1.00 0.00 C ATOM 558 OE1 GLU A 37 -10.920 -8.000 7.883 1.00 0.00 O ATOM 559 OE2 GLU A 37 -10.370 -6.859 9.680 1.00 0.00 O ATOM 0 H GLU A 37 -7.049 -11.336 8.971 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.916 -9.537 6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.871 -9.835 8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.019 -9.189 9.773 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.010 -6.979 8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.435 -7.532 7.276 1.00 0.00 H new ATOM 566 N GLU A 38 -4.982 -8.601 9.410 1.00 0.00 N ATOM 567 CA GLU A 38 -3.954 -7.645 9.806 1.00 0.00 C ATOM 568 C GLU A 38 -2.977 -7.391 8.661 1.00 0.00 C ATOM 569 O GLU A 38 -2.622 -6.247 8.374 1.00 0.00 O ATOM 570 CB GLU A 38 -3.196 -8.157 11.032 1.00 0.00 C ATOM 571 CG GLU A 38 -2.580 -7.051 11.873 1.00 0.00 C ATOM 572 CD GLU A 38 -3.516 -6.551 12.956 1.00 0.00 C ATOM 573 OE1 GLU A 38 -3.758 -7.301 13.924 1.00 0.00 O ATOM 574 OE2 GLU A 38 -4.007 -5.409 12.834 1.00 0.00 O ATOM 0 H GLU A 38 -5.057 -9.417 10.018 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.446 -6.705 10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.878 -8.738 11.654 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.408 -8.835 10.704 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.662 -7.418 12.332 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.302 -6.219 11.226 1.00 0.00 H new ATOM 581 N LYS A 39 -2.546 -8.466 8.009 1.00 0.00 N ATOM 582 CA LYS A 39 -1.611 -8.361 6.895 1.00 0.00 C ATOM 583 C LYS A 39 -2.205 -7.530 5.762 1.00 0.00 C ATOM 584 O LYS A 39 -1.747 -6.422 5.487 1.00 0.00 O ATOM 585 CB LYS A 39 -1.242 -9.755 6.380 1.00 0.00 C ATOM 586 CG LYS A 39 -0.468 -9.735 5.073 1.00 0.00 C ATOM 587 CD LYS A 39 1.020 -9.540 5.310 1.00 0.00 C ATOM 588 CE LYS A 39 1.397 -8.067 5.309 1.00 0.00 C ATOM 589 NZ LYS A 39 2.872 -7.871 5.347 1.00 0.00 N ATOM 0 H LYS A 39 -2.829 -9.420 8.233 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.711 -7.862 7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.648 -10.267 7.137 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.154 -10.336 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.633 -10.670 4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.845 -8.933 4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.299 -9.987 6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.584 -10.061 4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.990 -7.589 4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.943 -7.576 6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.087 -6.854 5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.258 -8.305 6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.303 -8.318 4.513 1.00 0.00 H new ATOM 603 N ALA A 40 -3.228 -8.073 5.110 1.00 0.00 N ATOM 604 CA ALA A 40 -3.887 -7.380 4.010 1.00 0.00 C ATOM 605 C ALA A 40 -4.003 -5.886 4.293 1.00 0.00 C ATOM 606 O ALA A 40 -3.730 -5.057 3.426 1.00 0.00 O ATOM 607 CB ALA A 40 -5.262 -7.979 3.756 1.00 0.00 C ATOM 0 H ALA A 40 -3.618 -8.991 5.325 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.277 -7.508 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.742 -7.451 2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.158 -9.033 3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.873 -7.882 4.654 1.00 0.00 H new ATOM 613 N ALA A 41 -4.410 -5.549 5.513 1.00 0.00 N ATOM 614 CA ALA A 41 -4.561 -4.155 5.910 1.00 0.00 C ATOM 615 C ALA A 41 -3.206 -3.465 6.015 1.00 0.00 C ATOM 616 O ALA A 41 -3.064 -2.294 5.661 1.00 0.00 O ATOM 617 CB ALA A 41 -5.307 -4.061 7.233 1.00 0.00 C ATOM 0 H ALA A 41 -4.641 -6.223 6.243 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.141 -3.645 5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.413 -3.014 7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.295 -4.510 7.126 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.749 -4.592 8.004 1.00 0.00 H new ATOM 623 N LYS A 42 -2.210 -4.196 6.505 1.00 0.00 N ATOM 624 CA LYS A 42 -0.865 -3.655 6.656 1.00 0.00 C ATOM 625 C LYS A 42 -0.314 -3.182 5.315 1.00 0.00 C ATOM 626 O LYS A 42 0.314 -2.127 5.227 1.00 0.00 O ATOM 627 CB LYS A 42 0.066 -4.710 7.259 1.00 0.00 C ATOM 628 CG LYS A 42 0.056 -4.734 8.777 1.00 0.00 C ATOM 629 CD LYS A 42 1.086 -5.708 9.326 1.00 0.00 C ATOM 630 CE LYS A 42 0.647 -7.151 9.133 1.00 0.00 C ATOM 631 NZ LYS A 42 1.172 -8.039 10.208 1.00 0.00 N ATOM 0 H LYS A 42 -2.310 -5.166 6.805 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.918 -2.799 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.223 -5.693 6.887 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.083 -4.525 6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.260 -3.734 9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.936 -5.014 9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.042 -5.548 8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.243 -5.513 10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.442 -7.201 9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.994 -7.510 8.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.851 -9.014 10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.212 -8.011 10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.821 -7.712 11.131 1.00 0.00 H new ATOM 645 N VAL A 43 -0.556 -3.969 4.271 1.00 0.00 N ATOM 646 CA VAL A 43 -0.086 -3.629 2.933 1.00 0.00 C ATOM 647 C VAL A 43 -0.654 -2.290 2.475 1.00 0.00 C ATOM 648 O VAL A 43 0.089 -1.344 2.218 1.00 0.00 O ATOM 649 CB VAL A 43 -0.471 -4.715 1.910 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.010 -4.332 0.519 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.095 -6.063 2.327 1.00 0.00 C ATOM 0 H VAL A 43 -1.074 -4.846 4.326 1.00 0.00 H new ATOM 0 HA VAL A 43 1.000 -3.560 2.987 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.558 -4.796 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.271 -5.111 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.448 -3.389 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.094 -4.222 0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.186 -6.818 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.182 -5.999 2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.304 -6.339 3.303 1.00 0.00 H new ATOM 661 N ALA A 44 -1.978 -2.219 2.375 1.00 0.00 N ATOM 662 CA ALA A 44 -2.646 -0.995 1.950 1.00 0.00 C ATOM 663 C ALA A 44 -2.125 0.212 2.723 1.00 0.00 C ATOM 664 O ALA A 44 -1.770 1.234 2.134 1.00 0.00 O ATOM 665 CB ALA A 44 -4.152 -1.128 2.127 1.00 0.00 C ATOM 0 H ALA A 44 -2.608 -2.994 2.582 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.427 -0.838 0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.639 -0.207 1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.517 -1.960 1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.380 -1.312 3.177 1.00 0.00 H new ATOM 671 N THR A 45 -2.083 0.089 4.046 1.00 0.00 N ATOM 672 CA THR A 45 -1.607 1.170 4.900 1.00 0.00 C ATOM 673 C THR A 45 -0.261 1.699 4.418 1.00 0.00 C ATOM 674 O THR A 45 -0.012 2.905 4.442 1.00 0.00 O ATOM 675 CB THR A 45 -1.471 0.712 6.364 1.00 0.00 C ATOM 676 OG1 THR A 45 -2.722 0.199 6.835 1.00 0.00 O ATOM 677 CG2 THR A 45 -1.021 1.862 7.252 1.00 0.00 C ATOM 0 H THR A 45 -2.373 -0.749 4.550 1.00 0.00 H new ATOM 0 HA THR A 45 -2.349 1.967 4.844 1.00 0.00 H new ATOM 0 HB THR A 45 -0.717 -0.074 6.407 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.860 -0.704 6.479 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.932 1.514 8.281 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.054 2.230 6.909 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.754 2.667 7.203 1.00 0.00 H new ATOM 685 N LYS A 46 0.604 0.791 3.979 1.00 0.00 N ATOM 686 CA LYS A 46 1.925 1.166 3.489 1.00 0.00 C ATOM 687 C LYS A 46 1.829 1.820 2.114 1.00 0.00 C ATOM 688 O LYS A 46 2.439 2.861 1.868 1.00 0.00 O ATOM 689 CB LYS A 46 2.833 -0.063 3.419 1.00 0.00 C ATOM 690 CG LYS A 46 3.581 -0.342 4.711 1.00 0.00 C ATOM 691 CD LYS A 46 2.632 -0.742 5.829 1.00 0.00 C ATOM 692 CE LYS A 46 3.172 -0.334 7.191 1.00 0.00 C ATOM 693 NZ LYS A 46 2.141 -0.466 8.258 1.00 0.00 N ATOM 0 H LYS A 46 0.414 -0.211 3.953 1.00 0.00 H new ATOM 0 HA LYS A 46 2.353 1.887 4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.231 -0.935 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.555 0.074 2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.308 -1.138 4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.141 0.545 5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.660 -0.276 5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.476 -1.820 5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.034 -0.953 7.440 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.521 0.698 7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.548 -0.179 9.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.329 0.144 8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.826 -1.455 8.316 1.00 0.00 H new ATOM 707 N ILE A 47 1.061 1.203 1.222 1.00 0.00 N ATOM 708 CA ILE A 47 0.885 1.727 -0.126 1.00 0.00 C ATOM 709 C ILE A 47 0.817 3.250 -0.120 1.00 0.00 C ATOM 710 O ILE A 47 1.702 3.922 -0.650 1.00 0.00 O ATOM 711 CB ILE A 47 -0.392 1.171 -0.784 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.347 -0.358 -0.823 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.556 1.738 -2.186 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.952 -0.911 -1.366 1.00 0.00 C ATOM 0 H ILE A 47 0.551 0.340 1.409 1.00 0.00 H new ATOM 0 HA ILE A 47 1.752 1.406 -0.704 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.252 1.475 -0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.504 -0.744 0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.172 -0.722 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.463 1.336 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.628 2.824 -2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.306 1.461 -2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.913 -2.000 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.101 -0.555 -2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.780 -0.577 -0.740 1.00 0.00 H new ATOM 726 N GLU A 48 -0.237 3.788 0.485 1.00 0.00 N ATOM 727 CA GLU A 48 -0.418 5.233 0.562 1.00 0.00 C ATOM 728 C GLU A 48 0.758 5.892 1.277 1.00 0.00 C ATOM 729 O GLU A 48 1.365 6.830 0.761 1.00 0.00 O ATOM 730 CB GLU A 48 -1.723 5.568 1.288 1.00 0.00 C ATOM 731 CG GLU A 48 -2.969 5.228 0.487 1.00 0.00 C ATOM 732 CD GLU A 48 -3.072 3.750 0.167 1.00 0.00 C ATOM 733 OE1 GLU A 48 -3.377 2.964 1.089 1.00 0.00 O ATOM 734 OE2 GLU A 48 -2.848 3.379 -1.004 1.00 0.00 O ATOM 0 H GLU A 48 -0.978 3.246 0.929 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.466 5.622 -0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.751 5.028 2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.734 6.631 1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.852 5.537 1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.966 5.798 -0.442 1.00 0.00 H new ATOM 741 N LYS A 49 1.073 5.394 2.468 1.00 0.00 N ATOM 742 CA LYS A 49 2.176 5.932 3.255 1.00 0.00 C ATOM 743 C LYS A 49 3.354 6.301 2.359 1.00 0.00 C ATOM 744 O LYS A 49 3.954 7.364 2.515 1.00 0.00 O ATOM 745 CB LYS A 49 2.621 4.916 4.309 1.00 0.00 C ATOM 746 CG LYS A 49 3.336 5.542 5.493 1.00 0.00 C ATOM 747 CD LYS A 49 3.259 4.653 6.724 1.00 0.00 C ATOM 748 CE LYS A 49 1.939 4.832 7.458 1.00 0.00 C ATOM 749 NZ LYS A 49 1.814 3.896 8.610 1.00 0.00 N ATOM 0 H LYS A 49 0.580 4.618 2.909 1.00 0.00 H new ATOM 0 HA LYS A 49 1.826 6.835 3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.748 4.372 4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.281 4.185 3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.380 5.720 5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.893 6.513 5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.374 3.610 6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.085 4.887 7.396 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.858 5.859 7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.113 4.668 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.901 4.049 9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.866 2.915 8.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.587 4.069 9.283 1.00 0.00 H new ATOM 763 N GLU A 50 3.679 5.416 1.422 1.00 0.00 N ATOM 764 CA GLU A 50 4.785 5.651 0.501 1.00 0.00 C ATOM 765 C GLU A 50 4.345 6.530 -0.666 1.00 0.00 C ATOM 766 O GLU A 50 5.057 7.453 -1.065 1.00 0.00 O ATOM 767 CB GLU A 50 5.331 4.322 -0.025 1.00 0.00 C ATOM 768 CG GLU A 50 6.808 4.367 -0.376 1.00 0.00 C ATOM 769 CD GLU A 50 7.678 4.751 0.805 1.00 0.00 C ATOM 770 OE1 GLU A 50 7.834 3.920 1.723 1.00 0.00 O ATOM 771 OE2 GLU A 50 8.203 5.884 0.810 1.00 0.00 O ATOM 0 H GLU A 50 3.193 4.531 1.281 1.00 0.00 H new ATOM 0 HA GLU A 50 5.574 6.170 1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.168 3.549 0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.765 4.031 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.119 3.391 -0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.964 5.081 -1.184 1.00 0.00 H new ATOM 778 N LEU A 51 3.169 6.237 -1.209 1.00 0.00 N ATOM 779 CA LEU A 51 2.633 7.000 -2.331 1.00 0.00 C ATOM 780 C LEU A 51 2.472 8.471 -1.962 1.00 0.00 C ATOM 781 O LEU A 51 3.180 9.333 -2.483 1.00 0.00 O ATOM 782 CB LEU A 51 1.286 6.422 -2.769 1.00 0.00 C ATOM 783 CG LEU A 51 0.938 6.578 -4.250 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.644 5.517 -5.079 1.00 0.00 C ATOM 785 CD2 LEU A 51 -0.568 6.503 -4.454 1.00 0.00 C ATOM 0 H LEU A 51 2.568 5.477 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 51 3.339 6.927 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.272 5.360 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.501 6.896 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 51 1.281 7.557 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.384 5.644 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.722 5.618 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.332 4.527 -4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.798 6.616 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.935 5.538 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.052 7.301 -3.891 1.00 0.00 H new ATOM 797 N PHE A 52 1.538 8.750 -1.059 1.00 0.00 N ATOM 798 CA PHE A 52 1.285 10.118 -0.619 1.00 0.00 C ATOM 799 C PHE A 52 2.593 10.887 -0.456 1.00 0.00 C ATOM 800 O PHE A 52 2.635 12.104 -0.636 1.00 0.00 O ATOM 801 CB PHE A 52 0.513 10.116 0.702 1.00 0.00 C ATOM 802 CG PHE A 52 0.168 11.492 1.196 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.759 12.271 0.524 1.00 0.00 C ATOM 804 CD2 PHE A 52 0.771 12.006 2.333 1.00 0.00 C ATOM 805 CE1 PHE A 52 -1.080 13.538 0.976 1.00 0.00 C ATOM 806 CE2 PHE A 52 0.454 13.271 2.790 1.00 0.00 C ATOM 807 CZ PHE A 52 -0.471 14.038 2.110 1.00 0.00 C ATOM 0 H PHE A 52 0.944 8.048 -0.618 1.00 0.00 H new ATOM 0 HA PHE A 52 0.685 10.614 -1.382 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.406 9.543 0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.106 9.605 1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.237 11.884 -0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.497 11.411 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.805 14.135 0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.929 13.659 3.678 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.718 15.028 2.465 1.00 0.00 H new ATOM 817 N SER A 53 3.657 10.168 -0.115 1.00 0.00 N ATOM 818 CA SER A 53 4.965 10.783 0.077 1.00 0.00 C ATOM 819 C SER A 53 5.637 11.060 -1.264 1.00 0.00 C ATOM 820 O SER A 53 6.109 12.168 -1.519 1.00 0.00 O ATOM 821 CB SER A 53 5.857 9.879 0.930 1.00 0.00 C ATOM 822 OG SER A 53 7.184 10.374 0.982 1.00 0.00 O ATOM 0 H SER A 53 3.639 9.159 0.034 1.00 0.00 H new ATOM 0 HA SER A 53 4.821 11.731 0.594 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.451 9.810 1.939 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.858 8.870 0.518 1.00 0.00 H new ATOM 0 HG SER A 53 7.734 9.779 1.534 1.00 0.00 H new ATOM 828 N PHE A 54 5.677 10.043 -2.120 1.00 0.00 N ATOM 829 CA PHE A 54 6.292 10.175 -3.435 1.00 0.00 C ATOM 830 C PHE A 54 5.740 11.390 -4.175 1.00 0.00 C ATOM 831 O PHE A 54 6.461 12.353 -4.437 1.00 0.00 O ATOM 832 CB PHE A 54 6.055 8.909 -4.262 1.00 0.00 C ATOM 833 CG PHE A 54 6.623 8.985 -5.650 1.00 0.00 C ATOM 834 CD1 PHE A 54 7.966 9.264 -5.849 1.00 0.00 C ATOM 835 CD2 PHE A 54 5.815 8.776 -6.756 1.00 0.00 C ATOM 836 CE1 PHE A 54 8.491 9.334 -7.126 1.00 0.00 C ATOM 837 CE2 PHE A 54 6.334 8.845 -8.035 1.00 0.00 C ATOM 838 CZ PHE A 54 7.674 9.123 -8.220 1.00 0.00 C ATOM 0 H PHE A 54 5.291 9.119 -1.926 1.00 0.00 H new ATOM 0 HA PHE A 54 7.364 10.314 -3.294 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.496 8.058 -3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.983 8.722 -4.326 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.609 9.428 -4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.767 8.556 -6.617 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.539 9.553 -7.268 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.693 8.682 -8.888 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.083 9.175 -9.218 1.00 0.00 H new ATOM 848 N PHE A 55 4.455 11.338 -4.509 1.00 0.00 N ATOM 849 CA PHE A 55 3.804 12.432 -5.220 1.00 0.00 C ATOM 850 C PHE A 55 3.713 13.675 -4.339 1.00 0.00 C ATOM 851 O PHE A 55 3.629 14.797 -4.837 1.00 0.00 O ATOM 852 CB PHE A 55 2.405 12.013 -5.676 1.00 0.00 C ATOM 853 CG PHE A 55 2.415 10.970 -6.757 1.00 0.00 C ATOM 854 CD1 PHE A 55 2.773 11.301 -8.054 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.065 9.659 -6.476 1.00 0.00 C ATOM 856 CE1 PHE A 55 2.783 10.344 -9.051 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.073 8.698 -7.469 1.00 0.00 C ATOM 858 CZ PHE A 55 2.431 9.041 -8.758 1.00 0.00 C ATOM 0 H PHE A 55 3.843 10.549 -4.299 1.00 0.00 H new ATOM 0 HA PHE A 55 4.407 12.672 -6.096 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.851 11.631 -4.818 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.870 12.892 -6.035 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.047 12.319 -8.289 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.783 9.385 -5.470 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.066 10.615 -10.058 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.799 7.679 -7.237 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.436 8.292 -9.536 1.00 0.00 H new ATOM 868 N ARG A 56 3.731 13.465 -3.027 1.00 0.00 N ATOM 869 CA ARG A 56 3.648 14.567 -2.075 1.00 0.00 C ATOM 870 C ARG A 56 2.460 15.470 -2.391 1.00 0.00 C ATOM 871 O ARG A 56 2.502 16.676 -2.147 1.00 0.00 O ATOM 872 CB ARG A 56 4.942 15.383 -2.094 1.00 0.00 C ATOM 873 CG ARG A 56 5.154 16.218 -0.842 1.00 0.00 C ATOM 874 CD ARG A 56 6.389 17.097 -0.961 1.00 0.00 C ATOM 875 NE ARG A 56 7.596 16.409 -0.514 1.00 0.00 N ATOM 876 CZ ARG A 56 7.898 16.210 0.765 1.00 0.00 C ATOM 877 NH1 ARG A 56 7.084 16.644 1.717 1.00 0.00 N ATOM 878 NH2 ARG A 56 9.015 15.574 1.093 1.00 0.00 N ATOM 0 H ARG A 56 3.802 12.542 -2.599 1.00 0.00 H new ATOM 0 HA ARG A 56 3.507 14.145 -1.080 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.787 14.705 -2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.934 16.042 -2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.278 16.842 -0.667 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.256 15.561 0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.513 17.409 -1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.248 18.002 -0.370 1.00 0.00 H new ATOM 0 HE ARG A 56 8.243 16.062 -1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.223 17.132 1.469 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.318 16.490 2.698 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.643 15.237 0.363 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.246 15.422 2.075 1.00 0.00 H new ATOM 892 N ASP A 57 1.403 14.879 -2.937 1.00 0.00 N ATOM 893 CA ASP A 57 0.202 15.630 -3.286 1.00 0.00 C ATOM 894 C ASP A 57 -0.918 14.691 -3.722 1.00 0.00 C ATOM 895 O ASP A 57 -0.666 13.618 -4.273 1.00 0.00 O ATOM 896 CB ASP A 57 0.508 16.632 -4.400 1.00 0.00 C ATOM 897 CG ASP A 57 -0.376 17.861 -4.332 1.00 0.00 C ATOM 898 OD1 ASP A 57 -1.291 17.888 -3.482 1.00 0.00 O ATOM 899 OD2 ASP A 57 -0.154 18.797 -5.128 1.00 0.00 O ATOM 0 H ASP A 57 1.353 13.882 -3.148 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.128 16.173 -2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.553 16.936 -4.335 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.377 16.147 -5.367 1.00 0.00 H new ATOM 904 N THR A 58 -2.158 15.100 -3.473 1.00 0.00 N ATOM 905 CA THR A 58 -3.317 14.296 -3.837 1.00 0.00 C ATOM 906 C THR A 58 -3.957 14.804 -5.124 1.00 0.00 C ATOM 907 O THR A 58 -5.151 15.102 -5.159 1.00 0.00 O ATOM 908 CB THR A 58 -4.374 14.294 -2.717 1.00 0.00 C ATOM 909 OG1 THR A 58 -4.599 15.630 -2.253 1.00 0.00 O ATOM 910 CG2 THR A 58 -3.932 13.416 -1.556 1.00 0.00 C ATOM 0 H THR A 58 -2.385 15.985 -3.020 1.00 0.00 H new ATOM 0 HA THR A 58 -2.959 13.278 -3.990 1.00 0.00 H new ATOM 0 HB THR A 58 -5.301 13.890 -3.124 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.274 15.620 -1.542 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.695 13.431 -0.778 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.791 12.394 -1.906 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.993 13.794 -1.151 1.00 0.00 H new ATOM 918 N ASP A 59 -3.156 14.901 -6.179 1.00 0.00 N ATOM 919 CA ASP A 59 -3.645 15.373 -7.470 1.00 0.00 C ATOM 920 C ASP A 59 -3.966 14.200 -8.391 1.00 0.00 C ATOM 921 O ASP A 59 -3.653 13.051 -8.081 1.00 0.00 O ATOM 922 CB ASP A 59 -2.610 16.287 -8.128 1.00 0.00 C ATOM 923 CG ASP A 59 -3.192 17.085 -9.279 1.00 0.00 C ATOM 924 OD1 ASP A 59 -4.274 17.680 -9.100 1.00 0.00 O ATOM 925 OD2 ASP A 59 -2.564 17.113 -10.359 1.00 0.00 O ATOM 0 H ASP A 59 -2.165 14.659 -6.166 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.561 15.939 -7.300 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.207 16.972 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.777 15.685 -8.491 1.00 0.00 H new ATOM 930 N ALA A 60 -4.593 14.498 -9.524 1.00 0.00 N ATOM 931 CA ALA A 60 -4.956 13.469 -10.490 1.00 0.00 C ATOM 932 C ALA A 60 -3.897 12.373 -10.547 1.00 0.00 C ATOM 933 O ALA A 60 -4.213 11.185 -10.467 1.00 0.00 O ATOM 934 CB ALA A 60 -5.155 14.085 -11.867 1.00 0.00 C ATOM 0 H ALA A 60 -4.860 15.444 -9.795 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.894 13.016 -10.168 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.426 13.305 -12.579 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.952 14.828 -11.822 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.230 14.564 -12.188 1.00 0.00 H new ATOM 940 N LYS A 61 -2.640 12.777 -10.687 1.00 0.00 N ATOM 941 CA LYS A 61 -1.533 11.830 -10.755 1.00 0.00 C ATOM 942 C LYS A 61 -1.623 10.808 -9.626 1.00 0.00 C ATOM 943 O LYS A 61 -1.745 9.607 -9.871 1.00 0.00 O ATOM 944 CB LYS A 61 -0.196 12.570 -10.682 1.00 0.00 C ATOM 945 CG LYS A 61 -0.062 13.686 -11.703 1.00 0.00 C ATOM 946 CD LYS A 61 1.396 14.004 -11.993 1.00 0.00 C ATOM 947 CE LYS A 61 1.577 15.456 -12.407 1.00 0.00 C ATOM 948 NZ LYS A 61 2.866 15.672 -13.122 1.00 0.00 N ATOM 0 H LYS A 61 -2.361 13.756 -10.756 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.597 11.302 -11.706 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.075 12.987 -9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.614 11.855 -10.829 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.563 13.397 -12.627 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.564 14.580 -11.334 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.997 13.799 -11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.762 13.350 -12.785 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.750 15.756 -13.050 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.541 16.093 -11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.952 16.674 -13.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.657 15.410 -12.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.890 15.083 -13.979 1.00 0.00 H new ATOM 962 N TYR A 62 -1.563 11.291 -8.390 1.00 0.00 N ATOM 963 CA TYR A 62 -1.637 10.419 -7.224 1.00 0.00 C ATOM 964 C TYR A 62 -2.570 9.240 -7.483 1.00 0.00 C ATOM 965 O TYR A 62 -2.162 8.081 -7.405 1.00 0.00 O ATOM 966 CB TYR A 62 -2.117 11.205 -6.003 1.00 0.00 C ATOM 967 CG TYR A 62 -2.370 10.341 -4.788 1.00 0.00 C ATOM 968 CD1 TYR A 62 -1.317 9.744 -4.105 1.00 0.00 C ATOM 969 CD2 TYR A 62 -3.660 10.120 -4.324 1.00 0.00 C ATOM 970 CE1 TYR A 62 -1.543 8.953 -2.994 1.00 0.00 C ATOM 971 CE2 TYR A 62 -3.895 9.332 -3.213 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.833 8.751 -2.553 1.00 0.00 C ATOM 973 OH TYR A 62 -3.063 7.964 -1.447 1.00 0.00 O ATOM 0 H TYR A 62 -1.463 12.282 -8.170 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.637 10.031 -7.028 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.373 11.961 -5.752 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -3.035 11.734 -6.260 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.305 9.901 -4.448 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.494 10.572 -4.840 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.714 8.496 -2.475 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.904 9.172 -2.864 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.026 7.924 -1.268 1.00 0.00 H new ATOM 983 N LYS A 63 -3.826 9.545 -7.793 1.00 0.00 N ATOM 984 CA LYS A 63 -4.819 8.513 -8.067 1.00 0.00 C ATOM 985 C LYS A 63 -4.381 7.631 -9.232 1.00 0.00 C ATOM 986 O LYS A 63 -4.335 6.407 -9.113 1.00 0.00 O ATOM 987 CB LYS A 63 -6.175 9.151 -8.378 1.00 0.00 C ATOM 988 CG LYS A 63 -6.785 9.888 -7.199 1.00 0.00 C ATOM 989 CD LYS A 63 -7.657 11.046 -7.655 1.00 0.00 C ATOM 990 CE LYS A 63 -8.436 11.648 -6.496 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.135 12.902 -6.890 1.00 0.00 N ATOM 0 H LYS A 63 -4.180 10.499 -7.861 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.913 7.889 -7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.058 9.846 -9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.866 8.374 -8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.381 9.195 -6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.991 10.262 -6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.034 11.814 -8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.351 10.700 -8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.166 10.924 -6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.756 11.855 -5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.654 13.281 -6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.437 13.602 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.803 12.700 -7.661 1.00 0.00 H new ATOM 1005 N ASN A 64 -4.058 8.261 -10.357 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.622 7.533 -11.543 1.00 0.00 C ATOM 1007 C ASN A 64 -2.761 6.334 -11.159 1.00 0.00 C ATOM 1008 O ASN A 64 -2.992 5.216 -11.621 1.00 0.00 O ATOM 1009 CB ASN A 64 -2.840 8.459 -12.476 1.00 0.00 C ATOM 1010 CG ASN A 64 -2.778 7.930 -13.896 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -3.732 8.062 -14.662 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -1.650 7.328 -14.254 1.00 0.00 N ATOM 0 H ASN A 64 -4.090 9.274 -10.472 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.509 7.169 -12.062 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.305 9.445 -12.478 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.827 8.585 -12.093 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.549 6.953 -15.197 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.884 7.241 -13.586 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.767 6.574 -10.310 1.00 0.00 N ATOM 1020 CA LYS A 65 -0.871 5.514 -9.862 1.00 0.00 C ATOM 1021 C LYS A 65 -1.601 4.536 -8.946 1.00 0.00 C ATOM 1022 O LYS A 65 -1.614 3.330 -9.194 1.00 0.00 O ATOM 1023 CB LYS A 65 0.333 6.112 -9.131 1.00 0.00 C ATOM 1024 CG LYS A 65 1.189 5.077 -8.421 1.00 0.00 C ATOM 1025 CD LYS A 65 1.865 4.141 -9.408 1.00 0.00 C ATOM 1026 CE LYS A 65 2.992 4.837 -10.155 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.838 3.871 -10.908 1.00 0.00 N ATOM 0 H LYS A 65 -1.562 7.493 -9.918 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.522 4.971 -10.740 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.951 6.652 -9.848 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.021 6.841 -8.402 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.945 5.580 -7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.569 4.499 -7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.260 3.275 -8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.129 3.770 -10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.572 5.568 -10.846 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.612 5.387 -9.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.362 4.375 -11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.511 3.418 -10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.233 3.145 -11.342 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.207 5.064 -7.889 1.00 0.00 N ATOM 1042 CA TYR A 66 -2.938 4.237 -6.936 1.00 0.00 C ATOM 1043 C TYR A 66 -3.792 3.199 -7.658 1.00 0.00 C ATOM 1044 O TYR A 66 -3.680 2.000 -7.402 1.00 0.00 O ATOM 1045 CB TYR A 66 -3.823 5.110 -6.044 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.065 4.405 -5.547 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -4.980 3.174 -4.908 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.323 4.969 -5.718 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.111 2.526 -4.452 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.460 4.328 -5.264 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.349 3.107 -4.633 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.480 2.466 -4.181 1.00 0.00 O ATOM 0 H TYR A 66 -2.207 6.060 -7.670 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.210 3.714 -6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.240 5.448 -5.187 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.118 6.000 -6.599 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.012 2.716 -4.765 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.414 5.924 -6.214 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.027 1.570 -3.957 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.431 4.781 -5.403 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.628 1.653 -4.708 1.00 0.00 H new ATOM 1062 N ARG A 67 -4.645 3.669 -8.562 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.519 2.783 -9.321 1.00 0.00 C ATOM 1064 C ARG A 67 -4.707 1.741 -10.084 1.00 0.00 C ATOM 1065 O ARG A 67 -5.125 0.591 -10.221 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.376 3.591 -10.297 1.00 0.00 C ATOM 1067 CG ARG A 67 -5.565 4.370 -11.320 1.00 0.00 C ATOM 1068 CD ARG A 67 -6.385 4.679 -12.563 1.00 0.00 C ATOM 1069 NE ARG A 67 -7.373 5.726 -12.320 1.00 0.00 N ATOM 1070 CZ ARG A 67 -8.302 6.078 -13.202 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -8.369 5.470 -14.378 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -9.167 7.041 -12.908 1.00 0.00 N ATOM 0 H ARG A 67 -4.749 4.658 -8.787 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.171 2.266 -8.617 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.051 2.914 -10.821 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.997 4.287 -9.732 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.213 5.300 -10.875 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.682 3.796 -11.599 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.719 4.989 -13.369 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.891 3.774 -12.898 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.349 6.214 -11.424 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.706 4.730 -14.608 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.083 5.743 -15.053 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.119 7.511 -12.004 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.880 7.311 -13.586 1.00 0.00 H new ATOM 1086 N SER A 68 -3.543 2.151 -10.579 1.00 0.00 N ATOM 1087 CA SER A 68 -2.674 1.255 -11.332 1.00 0.00 C ATOM 1088 C SER A 68 -2.107 0.163 -10.429 1.00 0.00 C ATOM 1089 O SER A 68 -1.999 -0.996 -10.830 1.00 0.00 O ATOM 1090 CB SER A 68 -1.532 2.041 -11.979 1.00 0.00 C ATOM 1091 OG SER A 68 -1.946 2.629 -13.201 1.00 0.00 O ATOM 0 H SER A 68 -3.180 3.098 -10.472 1.00 0.00 H new ATOM 0 HA SER A 68 -3.269 0.784 -12.114 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.188 2.818 -11.296 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.686 1.378 -12.159 1.00 0.00 H new ATOM 0 HG SER A 68 -2.314 3.521 -13.027 1.00 0.00 H new ATOM 1097 N LEU A 69 -1.746 0.543 -9.209 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.189 -0.403 -8.247 1.00 0.00 C ATOM 1099 C LEU A 69 -2.174 -1.532 -7.961 1.00 0.00 C ATOM 1100 O LEU A 69 -1.783 -2.691 -7.830 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.828 0.316 -6.946 1.00 0.00 C ATOM 1102 CG LEU A 69 0.108 1.517 -7.080 1.00 0.00 C ATOM 1103 CD1 LEU A 69 0.438 2.093 -5.712 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.381 1.122 -7.815 1.00 0.00 C ATOM 0 H LEU A 69 -1.829 1.499 -8.862 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.286 -0.834 -8.679 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.750 0.651 -6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.366 -0.405 -6.272 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.401 2.286 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.105 2.947 -5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.481 2.414 -5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.926 1.331 -5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.035 1.989 -7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.892 0.335 -7.260 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.128 0.758 -8.811 1.00 0.00 H new ATOM 1116 N MET A 70 -3.453 -1.185 -7.868 1.00 0.00 N ATOM 1117 CA MET A 70 -4.495 -2.170 -7.601 1.00 0.00 C ATOM 1118 C MET A 70 -5.034 -2.757 -8.901 1.00 0.00 C ATOM 1119 O MET A 70 -5.583 -3.859 -8.916 1.00 0.00 O ATOM 1120 CB MET A 70 -5.635 -1.536 -6.802 1.00 0.00 C ATOM 1121 CG MET A 70 -6.607 -0.741 -7.658 1.00 0.00 C ATOM 1122 SD MET A 70 -7.765 0.231 -6.675 1.00 0.00 S ATOM 1123 CE MET A 70 -8.393 -1.021 -5.557 1.00 0.00 C ATOM 0 H MET A 70 -3.793 -0.229 -7.974 1.00 0.00 H new ATOM 0 HA MET A 70 -4.055 -2.976 -7.014 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.182 -2.321 -6.279 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.213 -0.880 -6.041 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.046 -0.076 -8.315 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.165 -1.425 -8.298 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.083 -0.563 -4.848 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.915 -1.789 -6.127 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.563 -1.473 -5.014 1.00 0.00 H new ATOM 1133 N PHE A 71 -4.875 -2.013 -9.991 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.347 -2.460 -11.297 1.00 0.00 C ATOM 1135 C PHE A 71 -4.804 -3.847 -11.627 1.00 0.00 C ATOM 1136 O PHE A 71 -5.515 -4.690 -12.172 1.00 0.00 O ATOM 1137 CB PHE A 71 -4.930 -1.464 -12.382 1.00 0.00 C ATOM 1138 CG PHE A 71 -5.437 -1.821 -13.750 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -6.797 -1.844 -14.014 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -4.554 -2.133 -14.771 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -7.267 -2.171 -15.272 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -5.019 -2.461 -16.030 1.00 0.00 C ATOM 1143 CZ PHE A 71 -6.377 -2.481 -16.281 1.00 0.00 C ATOM 0 H PHE A 71 -4.423 -1.098 -9.996 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.435 -2.515 -11.263 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.297 -0.473 -12.115 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.842 -1.404 -12.411 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.498 -1.604 -13.228 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.491 -2.120 -14.581 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -8.329 -2.184 -15.466 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.321 -2.702 -16.818 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.742 -2.739 -17.264 1.00 0.00 H new ATOM 1153 N ASN A 72 -3.538 -4.074 -11.293 1.00 0.00 N ATOM 1154 CA ASN A 72 -2.897 -5.358 -11.555 1.00 0.00 C ATOM 1155 C ASN A 72 -3.255 -6.375 -10.475 1.00 0.00 C ATOM 1156 O ASN A 72 -3.102 -7.582 -10.667 1.00 0.00 O ATOM 1157 CB ASN A 72 -1.378 -5.189 -11.628 1.00 0.00 C ATOM 1158 CG ASN A 72 -0.909 -4.774 -13.009 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -0.250 -5.543 -13.709 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.246 -3.553 -13.407 1.00 0.00 N ATOM 0 H ASN A 72 -2.936 -3.386 -10.841 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.261 -5.728 -12.513 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.063 -4.441 -10.900 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.897 -6.127 -11.350 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.958 -3.219 -14.326 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.793 -2.950 -12.793 1.00 0.00 H new ATOM 1167 N LEU A 73 -3.734 -5.879 -9.339 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.115 -6.744 -8.228 1.00 0.00 C ATOM 1169 C LEU A 73 -5.502 -7.338 -8.451 1.00 0.00 C ATOM 1170 O LEU A 73 -5.716 -8.535 -8.252 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.089 -5.961 -6.914 1.00 0.00 C ATOM 1172 CG LEU A 73 -2.704 -5.595 -6.378 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -2.818 -4.571 -5.260 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -1.975 -6.840 -5.891 1.00 0.00 C ATOM 0 H LEU A 73 -3.868 -4.883 -9.163 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.395 -7.560 -8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.658 -5.042 -7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.607 -6.547 -6.155 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.126 -5.153 -7.190 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.823 -4.323 -4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.299 -3.670 -5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.414 -4.985 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.991 -6.561 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.550 -7.310 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.861 -7.541 -6.718 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.441 -6.496 -8.868 1.00 0.00 N ATOM 1187 CA LYS A 74 -7.807 -6.937 -9.122 1.00 0.00 C ATOM 1188 C LYS A 74 -7.872 -7.815 -10.368 1.00 0.00 C ATOM 1189 O LYS A 74 -8.555 -8.839 -10.382 1.00 0.00 O ATOM 1190 CB LYS A 74 -8.733 -5.729 -9.287 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.366 -4.838 -10.461 1.00 0.00 C ATOM 1192 CD LYS A 74 -9.177 -3.553 -10.460 1.00 0.00 C ATOM 1193 CE LYS A 74 -10.643 -3.819 -10.770 1.00 0.00 C ATOM 1194 NZ LYS A 74 -11.489 -2.619 -10.519 1.00 0.00 N ATOM 0 H LYS A 74 -6.281 -5.503 -9.037 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.137 -7.526 -8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.757 -6.081 -9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.711 -5.137 -8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.303 -4.599 -10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.535 -5.376 -11.394 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.092 -3.068 -9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.768 -2.862 -11.197 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.745 -4.124 -11.812 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.999 -4.649 -10.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.480 -2.840 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.412 -2.343 -9.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.166 -1.834 -11.120 1.00 0.00 H new ATOM 1208 N ASP A 75 -7.157 -7.408 -11.411 1.00 0.00 N ATOM 1209 CA ASP A 75 -7.132 -8.159 -12.661 1.00 0.00 C ATOM 1210 C ASP A 75 -6.909 -9.645 -12.397 1.00 0.00 C ATOM 1211 O ASP A 75 -6.094 -10.037 -11.562 1.00 0.00 O ATOM 1212 CB ASP A 75 -6.035 -7.621 -13.581 1.00 0.00 C ATOM 1213 CG ASP A 75 -6.287 -7.955 -15.038 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -6.113 -9.133 -15.416 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -6.659 -7.039 -15.801 1.00 0.00 O ATOM 0 H ASP A 75 -6.587 -6.562 -11.416 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.098 -8.036 -13.150 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.966 -6.539 -13.466 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.074 -8.036 -13.277 1.00 0.00 H new ATOM 1220 N PRO A 76 -7.650 -10.492 -13.126 1.00 0.00 N ATOM 1221 CA PRO A 76 -7.552 -11.949 -12.988 1.00 0.00 C ATOM 1222 C PRO A 76 -6.231 -12.493 -13.520 1.00 0.00 C ATOM 1223 O PRO A 76 -5.624 -13.378 -12.915 1.00 0.00 O ATOM 1224 CB PRO A 76 -8.721 -12.464 -13.832 1.00 0.00 C ATOM 1225 CG PRO A 76 -8.969 -11.389 -14.832 1.00 0.00 C ATOM 1226 CD PRO A 76 -8.641 -10.095 -14.140 1.00 0.00 C ATOM 0 HA PRO A 76 -7.590 -12.264 -11.945 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.473 -13.407 -14.318 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.603 -12.645 -13.218 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.346 -11.527 -15.716 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.006 -11.400 -15.168 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.233 -9.360 -14.834 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.525 -9.648 -13.685 1.00 0.00 H new ATOM 1234 N LYS A 77 -5.790 -11.960 -14.654 1.00 0.00 N ATOM 1235 CA LYS A 77 -4.539 -12.391 -15.267 1.00 0.00 C ATOM 1236 C LYS A 77 -3.380 -12.268 -14.283 1.00 0.00 C ATOM 1237 O LYS A 77 -2.375 -12.967 -14.402 1.00 0.00 O ATOM 1238 CB LYS A 77 -4.248 -11.561 -16.519 1.00 0.00 C ATOM 1239 CG LYS A 77 -5.126 -11.922 -17.705 1.00 0.00 C ATOM 1240 CD LYS A 77 -4.436 -11.616 -19.024 1.00 0.00 C ATOM 1241 CE LYS A 77 -5.401 -11.716 -20.195 1.00 0.00 C ATOM 1242 NZ LYS A 77 -4.886 -11.010 -21.400 1.00 0.00 N ATOM 0 H LYS A 77 -6.281 -11.228 -15.168 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.644 -13.439 -15.549 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.384 -10.505 -16.285 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.203 -11.693 -16.798 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.378 -12.982 -17.663 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.063 -11.369 -17.647 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.009 -10.614 -18.988 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.609 -12.310 -19.173 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.573 -12.765 -20.435 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.364 -11.292 -19.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.572 -11.102 -22.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.745 -10.004 -21.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.980 -11.431 -21.688 1.00 0.00 H new ATOM 1256 N ASN A 78 -3.528 -11.374 -13.309 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.494 -11.161 -12.304 1.00 0.00 C ATOM 1258 C ASN A 78 -2.842 -11.880 -11.004 1.00 0.00 C ATOM 1259 O ASN A 78 -3.603 -11.368 -10.184 1.00 0.00 O ATOM 1260 CB ASN A 78 -2.312 -9.665 -12.039 1.00 0.00 C ATOM 1261 CG ASN A 78 -1.283 -9.036 -12.959 1.00 0.00 C ATOM 1262 OD1 ASN A 78 -1.440 -9.042 -14.180 1.00 0.00 O ATOM 1263 ND2 ASN A 78 -0.223 -8.489 -12.375 1.00 0.00 N ATOM 0 H ASN A 78 -4.354 -10.786 -13.196 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.560 -11.572 -12.687 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -3.268 -9.157 -12.167 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.008 -9.517 -11.003 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.502 -8.051 -12.942 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.134 -8.507 -11.359 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.278 -13.070 -10.824 1.00 0.00 N ATOM 1271 CA ASN A 79 -2.528 -13.861 -9.624 1.00 0.00 C ATOM 1272 C ASN A 79 -1.228 -14.146 -8.879 1.00 0.00 C ATOM 1273 O ASN A 79 -1.123 -15.129 -8.146 1.00 0.00 O ATOM 1274 CB ASN A 79 -3.219 -15.176 -9.989 1.00 0.00 C ATOM 1275 CG ASN A 79 -2.276 -16.157 -10.661 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -1.485 -16.827 -9.998 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -2.358 -16.244 -11.983 1.00 0.00 N ATOM 0 H ASN A 79 -1.645 -13.508 -11.493 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.182 -13.285 -8.969 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.630 -15.630 -9.087 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.059 -14.970 -10.653 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.750 -16.886 -12.491 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.029 -15.669 -12.491 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.239 -13.279 -9.072 1.00 0.00 N ATOM 1285 CA ILE A 80 1.053 -13.436 -8.418 1.00 0.00 C ATOM 1286 C ILE A 80 1.413 -12.197 -7.606 1.00 0.00 C ATOM 1287 O ILE A 80 2.068 -12.290 -6.567 1.00 0.00 O ATOM 1288 CB ILE A 80 2.172 -13.710 -9.440 1.00 0.00 C ATOM 1289 CG1 ILE A 80 1.909 -15.024 -10.178 1.00 0.00 C ATOM 1290 CG2 ILE A 80 3.526 -13.748 -8.746 1.00 0.00 C ATOM 1291 CD1 ILE A 80 2.109 -16.251 -9.317 1.00 0.00 C ATOM 0 H ILE A 80 -0.309 -12.460 -9.677 1.00 0.00 H new ATOM 0 HA ILE A 80 0.966 -14.292 -7.749 1.00 0.00 H new ATOM 0 HB ILE A 80 2.182 -12.901 -10.170 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.888 -15.020 -10.558 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.571 -15.085 -11.042 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.307 -13.943 -9.482 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.714 -12.789 -8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.529 -14.539 -7.996 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.905 -17.146 -9.905 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.138 -16.280 -8.958 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.428 -16.213 -8.466 1.00 0.00 H new ATOM 1303 N LEU A 81 0.980 -11.036 -8.086 1.00 0.00 N ATOM 1304 CA LEU A 81 1.255 -9.776 -7.404 1.00 0.00 C ATOM 1305 C LEU A 81 0.601 -9.748 -6.027 1.00 0.00 C ATOM 1306 O LEU A 81 1.283 -9.669 -5.005 1.00 0.00 O ATOM 1307 CB LEU A 81 0.754 -8.599 -8.243 1.00 0.00 C ATOM 1308 CG LEU A 81 1.515 -7.284 -8.077 1.00 0.00 C ATOM 1309 CD1 LEU A 81 3.007 -7.501 -8.275 1.00 0.00 C ATOM 1310 CD2 LEU A 81 0.992 -6.238 -9.052 1.00 0.00 C ATOM 0 H LEU A 81 0.437 -10.941 -8.944 1.00 0.00 H new ATOM 0 HA LEU A 81 2.334 -9.689 -7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.790 -8.886 -9.294 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.293 -8.423 -7.997 1.00 0.00 H new ATOM 0 HG LEU A 81 1.354 -6.919 -7.063 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.532 -6.554 -8.153 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.372 -8.216 -7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.188 -7.890 -9.277 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.545 -5.308 -8.920 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.122 -6.595 -10.073 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.067 -6.060 -8.862 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.726 -9.817 -6.006 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.474 -9.801 -4.754 1.00 0.00 C ATOM 1324 C PHE A 82 -0.791 -10.671 -3.703 1.00 0.00 C ATOM 1325 O PHE A 82 -0.885 -10.405 -2.504 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.906 -10.287 -4.984 1.00 0.00 C ATOM 1327 CG PHE A 82 -3.069 -11.771 -4.820 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -2.617 -12.643 -5.797 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -3.672 -12.294 -3.687 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -2.767 -14.009 -5.648 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.824 -13.659 -3.533 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.369 -14.518 -4.515 1.00 0.00 C ATOM 0 H PHE A 82 -1.306 -9.885 -6.842 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.502 -8.774 -4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.571 -9.777 -4.286 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.220 -10.004 -5.989 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.142 -12.251 -6.685 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.027 -11.627 -2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.413 -14.678 -6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.298 -14.054 -2.646 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.484 -15.585 -4.396 1.00 0.00 H new ATOM 1342 N LYS A 83 -0.106 -11.713 -4.160 1.00 0.00 N ATOM 1343 CA LYS A 83 0.594 -12.624 -3.262 1.00 0.00 C ATOM 1344 C LYS A 83 1.979 -12.089 -2.915 1.00 0.00 C ATOM 1345 O LYS A 83 2.238 -11.697 -1.777 1.00 0.00 O ATOM 1346 CB LYS A 83 0.715 -14.009 -3.900 1.00 0.00 C ATOM 1347 CG LYS A 83 1.428 -15.023 -3.022 1.00 0.00 C ATOM 1348 CD LYS A 83 1.553 -16.370 -3.713 1.00 0.00 C ATOM 1349 CE LYS A 83 0.322 -17.232 -3.482 1.00 0.00 C ATOM 1350 NZ LYS A 83 0.394 -17.966 -2.187 1.00 0.00 N ATOM 0 H LYS A 83 -0.020 -11.948 -5.149 1.00 0.00 H new ATOM 0 HA LYS A 83 0.015 -12.704 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.283 -14.381 -4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.251 -13.919 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.420 -14.651 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.882 -15.143 -2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.697 -16.219 -4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.437 -16.889 -3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.569 -16.604 -3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.220 -17.946 -4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.568 -18.127 -1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.867 -18.881 -2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.933 -17.403 -1.498 1.00 0.00 H new ATOM 1364 N LYS A 84 2.867 -12.074 -3.904 1.00 0.00 N ATOM 1365 CA LYS A 84 4.226 -11.584 -3.705 1.00 0.00 C ATOM 1366 C LYS A 84 4.249 -10.433 -2.704 1.00 0.00 C ATOM 1367 O LYS A 84 5.138 -10.352 -1.856 1.00 0.00 O ATOM 1368 CB LYS A 84 4.825 -11.127 -5.037 1.00 0.00 C ATOM 1369 CG LYS A 84 5.133 -12.270 -5.989 1.00 0.00 C ATOM 1370 CD LYS A 84 5.734 -11.765 -7.290 1.00 0.00 C ATOM 1371 CE LYS A 84 4.870 -10.683 -7.920 1.00 0.00 C ATOM 1372 NZ LYS A 84 5.169 -10.508 -9.368 1.00 0.00 N ATOM 0 H LYS A 84 2.670 -12.396 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 84 4.825 -12.402 -3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.132 -10.439 -5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.742 -10.571 -4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.825 -12.965 -5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.219 -12.825 -6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.733 -11.371 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.845 -12.595 -7.987 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.818 -10.939 -7.795 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.032 -9.739 -7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.560 -9.762 -9.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.166 -10.238 -9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.990 -11.401 -9.870 1.00 0.00 H new ATOM 1386 N VAL A 85 3.265 -9.546 -2.807 1.00 0.00 N ATOM 1387 CA VAL A 85 3.171 -8.401 -1.909 1.00 0.00 C ATOM 1388 C VAL A 85 2.837 -8.843 -0.488 1.00 0.00 C ATOM 1389 O VAL A 85 3.498 -8.440 0.470 1.00 0.00 O ATOM 1390 CB VAL A 85 2.104 -7.399 -2.387 1.00 0.00 C ATOM 1391 CG1 VAL A 85 2.070 -6.180 -1.477 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.365 -6.991 -3.829 1.00 0.00 C ATOM 0 H VAL A 85 2.521 -9.598 -3.503 1.00 0.00 H new ATOM 0 HA VAL A 85 4.146 -7.913 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 85 1.129 -7.884 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.310 -5.483 -1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.832 -6.492 -0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.044 -5.691 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.602 -6.283 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.347 -6.524 -3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.334 -7.873 -4.468 1.00 0.00 H new ATOM 1402 N LEU A 86 1.809 -9.674 -0.359 1.00 0.00 N ATOM 1403 CA LEU A 86 1.387 -10.172 0.945 1.00 0.00 C ATOM 1404 C LEU A 86 2.469 -11.046 1.571 1.00 0.00 C ATOM 1405 O LEU A 86 2.892 -10.813 2.703 1.00 0.00 O ATOM 1406 CB LEU A 86 0.087 -10.967 0.813 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.208 -10.167 0.962 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.362 -9.183 -0.188 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.407 -11.101 1.031 1.00 0.00 C ATOM 0 H LEU A 86 1.252 -10.017 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 86 1.217 -9.314 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.080 -11.453 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.090 -11.758 1.563 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.159 -9.602 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.289 -8.622 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.518 -8.493 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.389 -9.728 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.320 -10.514 1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.460 -11.693 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.301 -11.766 1.888 1.00 0.00 H new ATOM 1421 N LYS A 87 2.915 -12.051 0.825 1.00 0.00 N ATOM 1422 CA LYS A 87 3.951 -12.958 1.303 1.00 0.00 C ATOM 1423 C LYS A 87 5.203 -12.188 1.713 1.00 0.00 C ATOM 1424 O LYS A 87 5.914 -12.585 2.635 1.00 0.00 O ATOM 1425 CB LYS A 87 4.301 -13.982 0.221 1.00 0.00 C ATOM 1426 CG LYS A 87 4.762 -15.319 0.775 1.00 0.00 C ATOM 1427 CD LYS A 87 3.605 -16.106 1.367 1.00 0.00 C ATOM 1428 CE LYS A 87 4.078 -17.062 2.451 1.00 0.00 C ATOM 1429 NZ LYS A 87 4.639 -18.317 1.879 1.00 0.00 N ATOM 0 H LYS A 87 2.575 -12.258 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 87 3.565 -13.481 2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.428 -14.142 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.085 -13.572 -0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.231 -15.901 -0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.521 -15.155 1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.870 -15.417 1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.104 -16.668 0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.835 -16.571 3.062 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.244 -17.304 3.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.950 -18.941 2.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.909 -18.799 1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.451 -18.089 1.270 1.00 0.00 H new ATOM 1443 N GLY A 88 5.464 -11.082 1.022 1.00 0.00 N ATOM 1444 CA GLY A 88 6.629 -10.273 1.330 1.00 0.00 C ATOM 1445 C GLY A 88 7.536 -10.082 0.130 1.00 0.00 C ATOM 1446 O GLY A 88 8.230 -9.072 0.025 1.00 0.00 O ATOM 0 H GLY A 88 4.890 -10.732 0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.305 -9.299 1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.192 -10.744 2.136 1.00 0.00 H new ATOM 1450 N GLU A 89 7.530 -11.055 -0.775 1.00 0.00 N ATOM 1451 CA GLU A 89 8.361 -10.989 -1.972 1.00 0.00 C ATOM 1452 C GLU A 89 8.487 -9.552 -2.468 1.00 0.00 C ATOM 1453 O GLU A 89 9.577 -9.096 -2.815 1.00 0.00 O ATOM 1454 CB GLU A 89 7.774 -11.871 -3.076 1.00 0.00 C ATOM 1455 CG GLU A 89 8.108 -13.345 -2.919 1.00 0.00 C ATOM 1456 CD GLU A 89 9.596 -13.593 -2.760 1.00 0.00 C ATOM 1457 OE1 GLU A 89 10.340 -13.390 -3.742 1.00 0.00 O ATOM 1458 OE2 GLU A 89 10.015 -13.990 -1.653 1.00 0.00 O ATOM 0 H GLU A 89 6.960 -11.898 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 89 9.355 -11.355 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.691 -11.752 -3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.143 -11.524 -4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.583 -13.742 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.744 -13.891 -3.789 1.00 0.00 H new ATOM 1465 N VAL A 90 7.364 -8.841 -2.499 1.00 0.00 N ATOM 1466 CA VAL A 90 7.348 -7.456 -2.951 1.00 0.00 C ATOM 1467 C VAL A 90 6.882 -6.520 -1.841 1.00 0.00 C ATOM 1468 O VAL A 90 5.888 -6.788 -1.165 1.00 0.00 O ATOM 1469 CB VAL A 90 6.433 -7.276 -4.177 1.00 0.00 C ATOM 1470 CG1 VAL A 90 6.088 -5.808 -4.375 1.00 0.00 C ATOM 1471 CG2 VAL A 90 7.093 -7.849 -5.422 1.00 0.00 C ATOM 0 H VAL A 90 6.453 -9.202 -2.216 1.00 0.00 H new ATOM 0 HA VAL A 90 8.371 -7.203 -3.230 1.00 0.00 H new ATOM 0 HB VAL A 90 5.506 -7.822 -4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.441 -5.701 -5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.572 -5.433 -3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.003 -5.237 -4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.433 -7.713 -6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.035 -7.333 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.284 -8.912 -5.276 1.00 0.00 H new ATOM 1481 N THR A 91 7.606 -5.420 -1.659 1.00 0.00 N ATOM 1482 CA THR A 91 7.267 -4.444 -0.630 1.00 0.00 C ATOM 1483 C THR A 91 6.226 -3.452 -1.136 1.00 0.00 C ATOM 1484 O THR A 91 6.175 -3.118 -2.319 1.00 0.00 O ATOM 1485 CB THR A 91 8.512 -3.670 -0.159 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.110 -2.984 -1.265 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.529 -4.610 0.470 1.00 0.00 C ATOM 0 H THR A 91 8.431 -5.183 -2.210 1.00 0.00 H new ATOM 0 HA THR A 91 6.855 -5.001 0.212 1.00 0.00 H new ATOM 0 HB THR A 91 8.198 -2.945 0.592 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.411 -2.097 -0.976 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.399 -4.040 0.795 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.081 -5.109 1.329 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.837 -5.356 -0.263 1.00 0.00 H new ATOM 1495 N PRO A 92 5.375 -2.968 -0.219 1.00 0.00 N ATOM 1496 CA PRO A 92 4.320 -2.005 -0.548 1.00 0.00 C ATOM 1497 C PRO A 92 4.879 -0.630 -0.899 1.00 0.00 C ATOM 1498 O PRO A 92 4.177 0.211 -1.461 1.00 0.00 O ATOM 1499 CB PRO A 92 3.491 -1.933 0.737 1.00 0.00 C ATOM 1500 CG PRO A 92 4.438 -2.320 1.820 1.00 0.00 C ATOM 1501 CD PRO A 92 5.378 -3.322 1.211 1.00 0.00 C ATOM 0 HA PRO A 92 3.748 -2.311 -1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.095 -0.930 0.897 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.638 -2.610 0.696 1.00 0.00 H new ATOM 0 HG2 PRO A 92 4.981 -1.451 2.192 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.906 -2.750 2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.377 -3.249 1.641 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.036 -4.344 1.373 1.00 0.00 H new ATOM 1509 N ASP A 93 6.145 -0.408 -0.564 1.00 0.00 N ATOM 1510 CA ASP A 93 6.799 0.865 -0.845 1.00 0.00 C ATOM 1511 C ASP A 93 7.492 0.831 -2.204 1.00 0.00 C ATOM 1512 O ASP A 93 7.572 1.846 -2.897 1.00 0.00 O ATOM 1513 CB ASP A 93 7.813 1.194 0.251 1.00 0.00 C ATOM 1514 CG ASP A 93 8.430 -0.048 0.862 1.00 0.00 C ATOM 1515 OD1 ASP A 93 7.841 -0.594 1.818 1.00 0.00 O ATOM 1516 OD2 ASP A 93 9.502 -0.475 0.384 1.00 0.00 O ATOM 0 H ASP A 93 6.739 -1.093 -0.097 1.00 0.00 H new ATOM 0 HA ASP A 93 6.035 1.642 -0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.602 1.821 -0.165 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.323 1.775 1.033 1.00 0.00 H new ATOM 1521 N HIS A 94 7.993 -0.342 -2.578 1.00 0.00 N ATOM 1522 CA HIS A 94 8.680 -0.507 -3.854 1.00 0.00 C ATOM 1523 C HIS A 94 7.685 -0.801 -4.973 1.00 0.00 C ATOM 1524 O HIS A 94 7.916 -0.450 -6.131 1.00 0.00 O ATOM 1525 CB HIS A 94 9.708 -1.635 -3.761 1.00 0.00 C ATOM 1526 CG HIS A 94 10.834 -1.501 -4.740 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.794 -0.515 -4.652 1.00 0.00 N ATOM 1528 CD2 HIS A 94 11.152 -2.237 -5.830 1.00 0.00 C ATOM 1529 CE1 HIS A 94 12.652 -0.649 -5.648 1.00 0.00 C ATOM 1530 NE2 HIS A 94 12.285 -1.688 -6.377 1.00 0.00 N ATOM 0 H HIS A 94 7.936 -1.191 -2.016 1.00 0.00 H new ATOM 0 HA HIS A 94 9.194 0.426 -4.085 1.00 0.00 H new ATOM 0 HB2 HIS A 94 10.117 -1.661 -2.751 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.205 -2.588 -3.926 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.614 -3.097 -6.201 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.508 -0.017 -5.834 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.765 -2.027 -7.211 1.00 0.00 H new ATOM 1539 N LEU A 95 6.579 -1.446 -4.620 1.00 0.00 N ATOM 1540 CA LEU A 95 5.549 -1.788 -5.594 1.00 0.00 C ATOM 1541 C LEU A 95 5.208 -0.587 -6.471 1.00 0.00 C ATOM 1542 O LEU A 95 4.695 -0.741 -7.579 1.00 0.00 O ATOM 1543 CB LEU A 95 4.290 -2.287 -4.882 1.00 0.00 C ATOM 1544 CG LEU A 95 3.351 -3.162 -5.712 1.00 0.00 C ATOM 1545 CD1 LEU A 95 2.337 -3.856 -4.817 1.00 0.00 C ATOM 1546 CD2 LEU A 95 2.646 -2.330 -6.774 1.00 0.00 C ATOM 0 H LEU A 95 6.372 -1.743 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 95 5.937 -2.582 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.595 -2.851 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.730 -1.421 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 95 3.946 -3.926 -6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.677 -4.474 -5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.859 -4.484 -4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.747 -3.108 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.982 -2.969 -7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.064 -1.544 -6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.387 -1.880 -7.435 1.00 0.00 H new ATOM 1558 N ILE A 96 5.500 0.608 -5.967 1.00 0.00 N ATOM 1559 CA ILE A 96 5.227 1.835 -6.706 1.00 0.00 C ATOM 1560 C ILE A 96 6.294 2.087 -7.766 1.00 0.00 C ATOM 1561 O ILE A 96 5.982 2.415 -8.910 1.00 0.00 O ATOM 1562 CB ILE A 96 5.155 3.053 -5.767 1.00 0.00 C ATOM 1563 CG1 ILE A 96 4.275 2.739 -4.555 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.623 4.267 -6.514 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.490 3.681 -3.392 1.00 0.00 C ATOM 0 H ILE A 96 5.925 0.752 -5.051 1.00 0.00 H new ATOM 0 HA ILE A 96 4.260 1.703 -7.191 1.00 0.00 H new ATOM 0 HB ILE A 96 6.161 3.280 -5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.228 2.779 -4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.473 1.719 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.578 5.120 -5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.285 4.500 -7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.624 4.052 -6.893 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.834 3.399 -2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.528 3.624 -3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.264 4.701 -3.703 1.00 0.00 H new ATOM 1577 N ARG A 97 7.555 1.928 -7.377 1.00 0.00 N ATOM 1578 CA ARG A 97 8.669 2.138 -8.294 1.00 0.00 C ATOM 1579 C ARG A 97 8.737 1.021 -9.331 1.00 0.00 C ATOM 1580 O ARG A 97 9.570 1.051 -10.237 1.00 0.00 O ATOM 1581 CB ARG A 97 9.987 2.211 -7.521 1.00 0.00 C ATOM 1582 CG ARG A 97 10.045 3.357 -6.524 1.00 0.00 C ATOM 1583 CD ARG A 97 11.473 3.639 -6.082 1.00 0.00 C ATOM 1584 NE ARG A 97 12.318 4.060 -7.197 1.00 0.00 N ATOM 1585 CZ ARG A 97 13.645 4.019 -7.169 1.00 0.00 C ATOM 1586 NH1 ARG A 97 14.275 3.579 -6.089 1.00 0.00 N ATOM 1587 NH2 ARG A 97 14.344 4.419 -8.223 1.00 0.00 N ATOM 0 H ARG A 97 7.831 1.655 -6.434 1.00 0.00 H new ATOM 0 HA ARG A 97 8.507 3.083 -8.812 1.00 0.00 H new ATOM 0 HB2 ARG A 97 10.140 1.271 -6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.809 2.315 -8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.618 4.254 -6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.435 3.115 -5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.469 4.415 -5.317 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.895 2.744 -5.625 1.00 0.00 H new ATOM 0 HE ARG A 97 11.864 4.404 -8.043 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.740 3.271 -5.277 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.294 3.549 -6.070 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.862 4.758 -9.056 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.363 4.387 -8.201 1.00 0.00 H new ATOM 1601 N MET A 98 7.856 0.036 -9.192 1.00 0.00 N ATOM 1602 CA MET A 98 7.816 -1.090 -10.117 1.00 0.00 C ATOM 1603 C MET A 98 7.465 -0.624 -11.526 1.00 0.00 C ATOM 1604 O MET A 98 6.958 0.482 -11.716 1.00 0.00 O ATOM 1605 CB MET A 98 6.799 -2.131 -9.644 1.00 0.00 C ATOM 1606 CG MET A 98 7.158 -2.768 -8.311 1.00 0.00 C ATOM 1607 SD MET A 98 8.663 -3.757 -8.397 1.00 0.00 S ATOM 1608 CE MET A 98 8.020 -5.299 -9.041 1.00 0.00 C ATOM 0 H MET A 98 7.160 -0.005 -8.447 1.00 0.00 H new ATOM 0 HA MET A 98 8.807 -1.544 -10.139 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.820 -1.659 -9.560 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.713 -2.912 -10.399 1.00 0.00 H new ATOM 0 HG2 MET A 98 7.284 -1.987 -7.561 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.332 -3.398 -7.980 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.834 -6.015 -9.150 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.275 -5.698 -8.353 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.559 -5.123 -10.013 1.00 0.00 H new ATOM 1618 N SER A 99 7.737 -1.474 -12.511 1.00 0.00 N ATOM 1619 CA SER A 99 7.454 -1.146 -13.904 1.00 0.00 C ATOM 1620 C SER A 99 6.100 -1.706 -14.329 1.00 0.00 C ATOM 1621 O SER A 99 5.595 -2.676 -13.763 1.00 0.00 O ATOM 1622 CB SER A 99 8.554 -1.697 -14.813 1.00 0.00 C ATOM 1623 OG SER A 99 9.598 -0.754 -14.979 1.00 0.00 O ATOM 0 H SER A 99 8.153 -2.395 -12.371 1.00 0.00 H new ATOM 0 HA SER A 99 7.425 -0.060 -13.998 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.955 -2.617 -14.387 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.133 -1.953 -15.785 1.00 0.00 H new ATOM 0 HG SER A 99 10.289 -1.131 -15.563 1.00 0.00 H new ATOM 1629 N PRO A 100 5.496 -1.081 -15.350 1.00 0.00 N ATOM 1630 CA PRO A 100 4.192 -1.498 -15.875 1.00 0.00 C ATOM 1631 C PRO A 100 4.263 -2.834 -16.607 1.00 0.00 C ATOM 1632 O PRO A 100 3.238 -3.459 -16.876 1.00 0.00 O ATOM 1633 CB PRO A 100 3.825 -0.375 -16.847 1.00 0.00 C ATOM 1634 CG PRO A 100 5.131 0.208 -17.264 1.00 0.00 C ATOM 1635 CD PRO A 100 6.040 0.082 -16.072 1.00 0.00 C ATOM 0 HA PRO A 100 3.461 -1.647 -15.080 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.271 -0.759 -17.704 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.193 0.373 -16.368 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.539 -0.323 -18.124 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.016 1.251 -17.559 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.076 -0.079 -16.372 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.023 0.981 -15.456 1.00 0.00 H new ATOM 1643 N GLU A 101 5.480 -3.266 -16.924 1.00 0.00 N ATOM 1644 CA GLU A 101 5.682 -4.529 -17.625 1.00 0.00 C ATOM 1645 C GLU A 101 6.159 -5.614 -16.664 1.00 0.00 C ATOM 1646 O GLU A 101 6.189 -6.794 -17.011 1.00 0.00 O ATOM 1647 CB GLU A 101 6.697 -4.352 -18.756 1.00 0.00 C ATOM 1648 CG GLU A 101 6.718 -5.509 -19.742 1.00 0.00 C ATOM 1649 CD GLU A 101 8.014 -5.586 -20.524 1.00 0.00 C ATOM 1650 OE1 GLU A 101 9.024 -6.053 -19.957 1.00 0.00 O ATOM 1651 OE2 GLU A 101 8.019 -5.178 -21.705 1.00 0.00 O ATOM 0 H GLU A 101 6.339 -2.761 -16.707 1.00 0.00 H new ATOM 0 HA GLU A 101 4.726 -4.838 -18.049 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.472 -3.431 -19.294 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.691 -4.235 -18.325 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.568 -6.444 -19.202 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.885 -5.404 -20.437 1.00 0.00 H new ATOM 1658 N GLU A 102 6.531 -5.205 -15.455 1.00 0.00 N ATOM 1659 CA GLU A 102 7.007 -6.142 -14.445 1.00 0.00 C ATOM 1660 C GLU A 102 5.846 -6.692 -13.622 1.00 0.00 C ATOM 1661 O GLU A 102 5.864 -7.848 -13.197 1.00 0.00 O ATOM 1662 CB GLU A 102 8.022 -5.461 -13.524 1.00 0.00 C ATOM 1663 CG GLU A 102 9.432 -5.429 -14.091 1.00 0.00 C ATOM 1664 CD GLU A 102 10.165 -6.743 -13.906 1.00 0.00 C ATOM 1665 OE1 GLU A 102 10.001 -7.370 -12.839 1.00 0.00 O ATOM 1666 OE2 GLU A 102 10.904 -7.144 -14.829 1.00 0.00 O ATOM 0 H GLU A 102 6.512 -4.231 -15.152 1.00 0.00 H new ATOM 0 HA GLU A 102 7.492 -6.973 -14.957 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.695 -4.440 -13.328 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.036 -5.980 -12.566 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.387 -5.189 -15.153 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.996 -4.631 -13.607 1.00 0.00 H new ATOM 1673 N LEU A 103 4.838 -5.856 -13.401 1.00 0.00 N ATOM 1674 CA LEU A 103 3.667 -6.256 -12.628 1.00 0.00 C ATOM 1675 C LEU A 103 3.017 -7.498 -13.229 1.00 0.00 C ATOM 1676 O LEU A 103 2.406 -8.297 -12.519 1.00 0.00 O ATOM 1677 CB LEU A 103 2.653 -5.112 -12.571 1.00 0.00 C ATOM 1678 CG LEU A 103 3.127 -3.829 -11.889 1.00 0.00 C ATOM 1679 CD1 LEU A 103 2.431 -2.617 -12.489 1.00 0.00 C ATOM 1680 CD2 LEU A 103 2.878 -3.900 -10.389 1.00 0.00 C ATOM 0 H LEU A 103 4.808 -4.897 -13.746 1.00 0.00 H new ATOM 0 HA LEU A 103 3.994 -6.493 -11.616 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.352 -4.868 -13.590 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.763 -5.468 -12.053 1.00 0.00 H new ATOM 0 HG LEU A 103 4.199 -3.726 -12.056 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.781 -1.713 -11.991 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.659 -2.556 -13.553 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.354 -2.712 -12.353 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.221 -2.978 -9.919 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.812 -4.027 -10.203 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.423 -4.746 -9.969 1.00 0.00 H new