USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 993 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 65 THR OG1 : rot 180:sc= 0.156 USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 39 LYS NZ :NH3+ 177:sc= 1.71 (180deg=0.76) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.733 K(o=2.4,f=-9.1!) USER MOD Single : A 8 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.15) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 38:sc= 0.00727 USER MOD Single : A 13 GLN : amide:sc= -1.52! X(o=-1.5!,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 11:sc= 0.0244 USER MOD Single : A 26 GLN : amide:sc= -0.838 K(o=-0.84,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -110:sc= 1.67 (180deg=0.895) USER MOD Single : A 34 ASN : amide:sc= -5.51! C(o=-5.5!,f=-3.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 1.03 K(o=1,f=-3.1!) USER MOD Single : A 45 LYS NZ :NH3+ -172:sc=-0.00115 (180deg=-0.102) USER MOD Single : A 48 MET CE :methyl -121:sc= -1.41 (180deg=-2.39) USER MOD Single : A 50 MET CE :methyl -119:sc= -2.97 (180deg=-3.15) USER MOD Single : A 54 GLN : amide:sc= 0.693 K(o=0.69,f=-0.21) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 20:sc= -1.43! USER MOD Single : A 61 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.6) USER MOD Single : A 62 HIS : no HE2:sc= -4.01 X(o=-4,f=-4.2!) USER MOD Single : A 66 THR OG1 : rot -87:sc= 1.1 USER MOD Single : A 68 MET CE :methyl 172:sc= -1.79 (180deg=-1.89!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -101:sc= 0.121 USER MOD Single : A 81 MET CE :methyl -156:sc= -0.975 (180deg=-1.29) USER MOD Single : A 85 SER OG : rot 180:sc= 0.109 USER MOD Single : A 88 SER OG : rot -120:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -143:sc= -0.45 (180deg=-2.9!) USER MOD Single : A 96 GLN : amide:sc= 1 K(o=1,f=-1.6!) USER MOD Single : A 100 LYS NZ :NH3+ 169:sc= 0.971 (180deg=0.362) USER MOD Single : A 102 LYS NZ :NH3+ -158:sc= -0.127 (180deg=-0.678) USER MOD Single : A 103 THR OG1 : rot -160:sc= -0.142 USER MOD Single : A 111 LYS NZ :NH3+ -164:sc= 1.19 (180deg=0.79) USER MOD Single : A 112 GLN : amide:sc= -2.94! K(o=-2.9!,f=-0.93) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 CYS SG : rot 82:sc= 0.211 USER MOD Single : A 118 GLN : amide:sc= -1.57 K(o=-1.6,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 5 -10.878 -7.232 -9.979 1.00 0.00 N ATOM 44 CA GLU A 5 -10.386 -6.126 -10.596 1.00 0.00 C ATOM 45 C GLU A 5 -11.357 -5.035 -10.363 1.00 0.00 C ATOM 46 O GLU A 5 -12.460 -5.271 -9.823 1.00 0.00 O ATOM 47 CB GLU A 5 -10.207 -6.321 -12.086 1.00 0.00 C ATOM 48 CG GLU A 5 -11.518 -6.466 -12.770 1.00 0.00 C ATOM 49 CD GLU A 5 -12.082 -7.873 -12.709 1.00 0.00 C ATOM 50 OE1 GLU A 5 -11.749 -8.680 -13.602 1.00 0.00 O ATOM 51 OE2 GLU A 5 -12.848 -8.192 -11.772 1.00 0.00 O ATOM 0 HA GLU A 5 -9.401 -5.901 -10.188 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.668 -5.471 -12.504 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.598 -7.207 -12.269 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.232 -5.777 -12.319 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.408 -6.172 -13.814 1.00 0.00 H new ATOM 58 N ASP A 6 -10.895 -3.904 -10.743 1.00 0.00 N ATOM 59 CA ASP A 6 -11.544 -2.556 -10.719 1.00 0.00 C ATOM 60 C ASP A 6 -10.501 -1.497 -10.467 1.00 0.00 C ATOM 61 O ASP A 6 -10.694 -0.313 -10.709 1.00 0.00 O ATOM 62 CB ASP A 6 -12.674 -2.480 -9.703 1.00 0.00 C ATOM 63 CG ASP A 6 -13.228 -1.091 -9.417 1.00 0.00 C ATOM 64 OD1 ASP A 6 -14.167 -0.660 -10.147 1.00 0.00 O ATOM 65 OD2 ASP A 6 -12.761 -0.422 -8.455 1.00 0.00 O ATOM 0 H ASP A 6 -9.953 -3.843 -11.128 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.000 -2.379 -11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.492 -3.110 -10.053 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.321 -2.908 -8.765 1.00 0.00 H new ATOM 70 N GLU A 7 -9.394 -1.936 -10.083 1.00 0.00 N ATOM 71 CA GLU A 7 -8.328 -1.113 -9.784 1.00 0.00 C ATOM 72 C GLU A 7 -7.427 -1.046 -10.941 1.00 0.00 C ATOM 73 O GLU A 7 -7.222 -2.015 -11.682 1.00 0.00 O ATOM 74 CB GLU A 7 -7.652 -1.485 -8.439 1.00 0.00 C ATOM 75 CG GLU A 7 -7.087 -2.904 -8.333 1.00 0.00 C ATOM 76 CD GLU A 7 -8.115 -3.970 -8.328 1.00 0.00 C ATOM 77 OE1 GLU A 7 -8.487 -4.412 -9.383 1.00 0.00 O ATOM 78 OE2 GLU A 7 -8.575 -4.368 -7.244 1.00 0.00 O ATOM 0 H GLU A 7 -9.196 -2.929 -9.962 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.684 -0.098 -9.607 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.841 -0.780 -8.257 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.380 -1.346 -7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.407 -3.075 -9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.497 -2.980 -7.420 1.00 0.00 H new ATOM 85 N LYS A 8 -6.955 0.105 -11.123 1.00 0.00 N ATOM 86 CA LYS A 8 -6.196 0.429 -12.269 1.00 0.00 C ATOM 87 C LYS A 8 -4.746 0.728 -11.923 1.00 0.00 C ATOM 88 O LYS A 8 -4.447 1.114 -10.791 1.00 0.00 O ATOM 89 CB LYS A 8 -6.851 1.577 -13.026 1.00 0.00 C ATOM 90 CG LYS A 8 -6.970 2.855 -12.224 1.00 0.00 C ATOM 91 CD LYS A 8 -7.860 3.853 -12.920 1.00 0.00 C ATOM 92 CE LYS A 8 -7.976 5.124 -12.113 1.00 0.00 C ATOM 93 NZ LYS A 8 -8.997 6.021 -12.667 1.00 0.00 N ATOM 0 H LYS A 8 -7.081 0.879 -10.471 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.179 -0.442 -12.924 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.275 1.779 -13.929 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.846 1.267 -13.346 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.372 2.632 -11.236 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.981 3.288 -12.075 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.457 4.079 -13.907 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.849 3.421 -13.071 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.226 4.879 -11.081 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.013 5.634 -12.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.936 6.948 -12.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.839 6.138 -13.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.941 5.614 -12.507 1.00 0.00 H new ATOM 107 N VAL A 9 -3.867 0.575 -12.896 1.00 0.00 N ATOM 108 CA VAL A 9 -2.461 0.750 -12.707 1.00 0.00 C ATOM 109 C VAL A 9 -2.154 2.213 -12.689 1.00 0.00 C ATOM 110 O VAL A 9 -2.421 2.939 -13.652 1.00 0.00 O ATOM 111 CB VAL A 9 -1.625 0.086 -13.839 1.00 0.00 C ATOM 112 CG1 VAL A 9 -0.133 0.099 -13.503 1.00 0.00 C ATOM 113 CG2 VAL A 9 -2.101 -1.325 -14.131 1.00 0.00 C ATOM 0 H VAL A 9 -4.126 0.322 -13.850 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.193 0.273 -11.765 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.774 0.678 -14.742 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.426 -0.371 -14.312 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.203 1.129 -13.380 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.036 -0.451 -12.577 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.494 -1.756 -14.927 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.007 -1.934 -13.232 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.145 -1.299 -14.444 1.00 0.00 H new ATOM 123 N LEU A 10 -1.635 2.629 -11.604 1.00 0.00 N ATOM 124 CA LEU A 10 -1.229 3.997 -11.419 1.00 0.00 C ATOM 125 C LEU A 10 0.226 4.149 -11.865 1.00 0.00 C ATOM 126 O LEU A 10 0.518 4.822 -12.850 1.00 0.00 O ATOM 127 CB LEU A 10 -1.457 4.425 -9.941 1.00 0.00 C ATOM 128 CG LEU A 10 -1.446 5.942 -9.593 1.00 0.00 C ATOM 129 CD1 LEU A 10 -1.941 6.147 -8.170 1.00 0.00 C ATOM 130 CD2 LEU A 10 -0.059 6.562 -9.734 1.00 0.00 C ATOM 0 H LEU A 10 -1.469 2.033 -10.793 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.834 4.664 -12.033 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.418 4.020 -9.624 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.691 3.941 -9.335 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.107 6.439 -10.303 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.931 7.210 -7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.957 5.764 -8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.289 5.614 -7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.106 7.621 -9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.635 6.058 -9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.287 6.451 -10.762 1.00 0.00 H new ATOM 142 N TYR A 11 1.113 3.483 -11.172 1.00 0.00 N ATOM 143 CA TYR A 11 2.546 3.565 -11.454 1.00 0.00 C ATOM 144 C TYR A 11 3.238 2.284 -10.999 1.00 0.00 C ATOM 145 O TYR A 11 2.746 1.595 -10.097 1.00 0.00 O ATOM 146 CB TYR A 11 3.160 4.798 -10.762 1.00 0.00 C ATOM 147 CG TYR A 11 4.584 5.125 -11.172 1.00 0.00 C ATOM 148 CD1 TYR A 11 4.837 5.757 -12.379 1.00 0.00 C ATOM 149 CD2 TYR A 11 5.667 4.812 -10.361 1.00 0.00 C ATOM 150 CE1 TYR A 11 6.120 6.067 -12.771 1.00 0.00 C ATOM 151 CE2 TYR A 11 6.958 5.123 -10.748 1.00 0.00 C ATOM 152 CZ TYR A 11 7.178 5.745 -11.955 1.00 0.00 C ATOM 153 OH TYR A 11 8.472 6.064 -12.347 1.00 0.00 O ATOM 0 H TYR A 11 0.876 2.866 -10.395 1.00 0.00 H new ATOM 0 HA TYR A 11 2.692 3.675 -12.529 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.531 5.663 -10.971 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.136 4.639 -9.684 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.010 6.012 -13.026 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.499 4.319 -9.415 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.294 6.561 -13.715 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.790 4.878 -10.105 1.00 0.00 H new ATOM 0 HH TYR A 11 9.104 5.770 -11.658 1.00 0.00 H new ATOM 163 N SER A 12 4.308 1.937 -11.674 1.00 0.00 N ATOM 164 CA SER A 12 5.084 0.777 -11.397 1.00 0.00 C ATOM 165 C SER A 12 6.601 1.116 -11.276 1.00 0.00 C ATOM 166 O SER A 12 7.153 1.793 -12.159 1.00 0.00 O ATOM 167 CB SER A 12 4.824 -0.168 -12.533 1.00 0.00 C ATOM 168 OG SER A 12 4.847 0.517 -13.783 1.00 0.00 O ATOM 0 H SER A 12 4.666 2.483 -12.458 1.00 0.00 H new ATOM 0 HA SER A 12 4.806 0.336 -10.440 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.575 -0.958 -12.533 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.856 -0.649 -12.396 1.00 0.00 H new ATOM 0 HG SER A 12 5.545 1.205 -13.766 1.00 0.00 H new ATOM 174 N GLN A 13 7.242 0.707 -10.155 1.00 0.00 N ATOM 175 CA GLN A 13 8.702 0.940 -9.933 1.00 0.00 C ATOM 176 C GLN A 13 9.319 -0.161 -9.054 1.00 0.00 C ATOM 177 O GLN A 13 8.633 -0.742 -8.268 1.00 0.00 O ATOM 178 CB GLN A 13 8.942 2.414 -9.474 1.00 0.00 C ATOM 179 CG GLN A 13 10.388 2.936 -9.343 1.00 0.00 C ATOM 180 CD GLN A 13 11.128 2.491 -8.093 1.00 0.00 C ATOM 181 OE1 GLN A 13 12.341 2.350 -8.106 1.00 0.00 O ATOM 182 NE2 GLN A 13 10.421 2.284 -7.013 1.00 0.00 N ATOM 0 H GLN A 13 6.780 0.216 -9.390 1.00 0.00 H new ATOM 0 HA GLN A 13 9.253 0.846 -10.869 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.421 3.065 -10.176 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.459 2.538 -8.505 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.955 2.611 -10.216 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.367 4.026 -9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.409 2.410 -7.034 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.881 1.996 -6.149 1.00 0.00 H new ATOM 191 N ARG A 14 10.631 -0.373 -9.142 1.00 0.00 N ATOM 192 CA ARG A 14 11.265 -1.510 -8.510 1.00 0.00 C ATOM 193 C ARG A 14 11.430 -1.376 -7.011 1.00 0.00 C ATOM 194 O ARG A 14 11.834 -0.343 -6.470 1.00 0.00 O ATOM 195 CB ARG A 14 12.619 -1.833 -9.137 1.00 0.00 C ATOM 196 CG ARG A 14 12.579 -2.482 -10.511 1.00 0.00 C ATOM 197 CD ARG A 14 13.994 -2.803 -10.948 1.00 0.00 C ATOM 198 NE ARG A 14 14.078 -3.642 -12.148 1.00 0.00 N ATOM 199 CZ ARG A 14 15.230 -4.152 -12.613 1.00 0.00 C ATOM 200 NH1 ARG A 14 16.378 -3.878 -11.992 1.00 0.00 N ATOM 201 NH2 ARG A 14 15.230 -4.946 -13.677 1.00 0.00 N ATOM 0 H ARG A 14 11.272 0.237 -9.650 1.00 0.00 H new ATOM 0 HA ARG A 14 10.572 -2.333 -8.687 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.193 -0.909 -9.210 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.162 -2.493 -8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.979 -3.392 -10.480 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.106 -1.813 -11.230 1.00 0.00 H new ATOM 0 HD2 ARG A 14 14.525 -1.870 -11.133 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.509 -3.306 -10.130 1.00 0.00 H new ATOM 0 HE ARG A 14 13.218 -3.849 -12.655 1.00 0.00 H new ATOM 0 HH11 ARG A 14 16.381 -3.282 -11.165 1.00 0.00 H new ATOM 0 HH12 ARG A 14 17.253 -4.265 -12.344 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.352 -5.171 -14.145 1.00 0.00 H new ATOM 0 HH22 ARG A 14 16.108 -5.331 -14.026 1.00 0.00 H new ATOM 215 N VAL A 15 11.132 -2.466 -6.374 1.00 0.00 N ATOM 216 CA VAL A 15 11.133 -2.609 -4.941 1.00 0.00 C ATOM 217 C VAL A 15 11.625 -4.041 -4.596 1.00 0.00 C ATOM 218 O VAL A 15 11.774 -4.888 -5.498 1.00 0.00 O ATOM 219 CB VAL A 15 9.674 -2.420 -4.409 1.00 0.00 C ATOM 220 CG1 VAL A 15 8.793 -3.628 -4.735 1.00 0.00 C ATOM 221 CG2 VAL A 15 9.632 -2.076 -2.922 1.00 0.00 C ATOM 0 H VAL A 15 10.868 -3.324 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 15 11.786 -1.866 -4.483 1.00 0.00 H new ATOM 0 HB VAL A 15 9.261 -1.561 -4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.787 -3.460 -4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.749 -3.765 -5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.214 -4.521 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.596 -1.956 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.096 -2.879 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.175 -1.147 -2.748 1.00 0.00 H new ATOM 231 N LYS A 16 11.870 -4.304 -3.335 1.00 0.00 N ATOM 232 CA LYS A 16 12.241 -5.628 -2.872 1.00 0.00 C ATOM 233 C LYS A 16 11.168 -6.083 -1.908 1.00 0.00 C ATOM 234 O LYS A 16 10.797 -5.296 -1.033 1.00 0.00 O ATOM 235 CB LYS A 16 13.578 -5.575 -2.126 1.00 0.00 C ATOM 236 CG LYS A 16 14.752 -5.050 -2.939 1.00 0.00 C ATOM 237 CD LYS A 16 16.048 -5.207 -2.165 1.00 0.00 C ATOM 238 CE LYS A 16 17.239 -4.703 -2.954 1.00 0.00 C ATOM 239 NZ LYS A 16 18.507 -4.931 -2.236 1.00 0.00 N ATOM 0 H LYS A 16 11.819 -3.605 -2.594 1.00 0.00 H new ATOM 0 HA LYS A 16 12.338 -6.308 -3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.459 -4.947 -1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.820 -6.578 -1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.818 -5.590 -3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.592 -4.000 -3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.978 -4.661 -1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.196 -6.257 -1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.273 -5.205 -3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.120 -3.638 -3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 19.299 -4.573 -2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.484 -4.431 -1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.633 -5.950 -2.069 1.00 0.00 H new ATOM 253 N LEU A 17 10.658 -7.323 -2.032 1.00 0.00 N ATOM 254 CA LEU A 17 9.631 -7.762 -1.137 1.00 0.00 C ATOM 255 C LEU A 17 10.227 -8.785 -0.255 1.00 0.00 C ATOM 256 O LEU A 17 11.098 -9.531 -0.677 1.00 0.00 O ATOM 257 CB LEU A 17 8.430 -8.349 -1.892 1.00 0.00 C ATOM 258 CG LEU A 17 7.277 -8.895 -1.044 1.00 0.00 C ATOM 259 CD1 LEU A 17 6.594 -7.785 -0.260 1.00 0.00 C ATOM 260 CD2 LEU A 17 6.282 -9.632 -1.915 1.00 0.00 C ATOM 0 H LEU A 17 10.947 -8.006 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 17 9.257 -6.914 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.031 -7.576 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.792 -9.154 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 17 7.693 -9.599 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.780 -8.205 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.317 -7.310 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.194 -7.044 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.469 -10.013 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.879 -8.950 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.780 -10.464 -2.413 1.00 0.00 H new ATOM 272 N PHE A 18 9.791 -8.810 0.939 1.00 0.00 N ATOM 273 CA PHE A 18 10.289 -9.703 1.929 1.00 0.00 C ATOM 274 C PHE A 18 9.143 -10.388 2.615 1.00 0.00 C ATOM 275 O PHE A 18 8.040 -9.867 2.639 1.00 0.00 O ATOM 276 CB PHE A 18 11.045 -8.923 2.997 1.00 0.00 C ATOM 277 CG PHE A 18 12.222 -8.105 2.530 1.00 0.00 C ATOM 278 CD1 PHE A 18 12.036 -6.824 2.059 1.00 0.00 C ATOM 279 CD2 PHE A 18 13.503 -8.611 2.578 1.00 0.00 C ATOM 280 CE1 PHE A 18 13.093 -6.065 1.642 1.00 0.00 C ATOM 281 CE2 PHE A 18 14.578 -7.857 2.159 1.00 0.00 C ATOM 282 CZ PHE A 18 14.374 -6.581 1.690 1.00 0.00 C ATOM 0 H PHE A 18 9.053 -8.193 1.277 1.00 0.00 H new ATOM 0 HA PHE A 18 10.942 -10.426 1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.341 -8.255 3.493 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.398 -9.629 3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.038 -6.413 2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.667 -9.612 2.949 1.00 0.00 H new ATOM 0 HE1 PHE A 18 12.927 -5.063 1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 18 15.576 -8.267 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 18 15.212 -5.984 1.360 1.00 0.00 H new ATOM 292 N ARG A 19 9.426 -11.520 3.172 1.00 0.00 N ATOM 293 CA ARG A 19 8.545 -12.257 4.003 1.00 0.00 C ATOM 294 C ARG A 19 9.148 -12.311 5.324 1.00 0.00 C ATOM 295 O ARG A 19 10.354 -12.355 5.488 1.00 0.00 O ATOM 296 CB ARG A 19 8.295 -13.670 3.514 1.00 0.00 C ATOM 297 CG ARG A 19 7.731 -14.671 4.548 1.00 0.00 C ATOM 298 CD ARG A 19 7.535 -16.061 3.974 1.00 0.00 C ATOM 299 NE ARG A 19 7.563 -17.087 5.032 1.00 0.00 N ATOM 300 CZ ARG A 19 6.668 -18.058 5.241 1.00 0.00 C ATOM 301 NH1 ARG A 19 5.448 -18.006 4.707 1.00 0.00 N ATOM 302 NH2 ARG A 19 6.977 -19.028 6.081 1.00 0.00 N ATOM 0 H ARG A 19 10.330 -11.976 3.049 1.00 0.00 H new ATOM 0 HA ARG A 19 7.576 -11.757 4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.603 -13.622 2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.234 -14.069 3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.409 -14.727 5.400 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.777 -14.300 4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.583 -16.107 3.445 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.316 -16.268 3.243 1.00 0.00 H new ATOM 0 HE ARG A 19 8.353 -17.052 5.676 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.180 -17.213 4.124 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.783 -18.759 4.881 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.881 -19.025 6.553 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.312 -19.781 6.258 1.00 0.00 H new ATOM 316 N PHE A 20 8.322 -12.313 6.204 1.00 0.00 N ATOM 317 CA PHE A 20 8.642 -12.307 7.576 1.00 0.00 C ATOM 318 C PHE A 20 8.497 -13.707 8.014 1.00 0.00 C ATOM 319 O PHE A 20 7.393 -14.272 7.976 1.00 0.00 O ATOM 320 CB PHE A 20 7.659 -11.492 8.376 1.00 0.00 C ATOM 321 CG PHE A 20 8.223 -10.896 9.631 1.00 0.00 C ATOM 322 CD1 PHE A 20 8.317 -11.637 10.799 1.00 0.00 C ATOM 323 CD2 PHE A 20 8.663 -9.583 9.640 1.00 0.00 C ATOM 324 CE1 PHE A 20 8.839 -11.080 11.946 1.00 0.00 C ATOM 325 CE2 PHE A 20 9.183 -9.021 10.783 1.00 0.00 C ATOM 326 CZ PHE A 20 9.275 -9.768 11.937 1.00 0.00 C ATOM 0 H PHE A 20 7.318 -12.319 6.022 1.00 0.00 H new ATOM 0 HA PHE A 20 9.637 -11.887 7.724 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.276 -10.688 7.747 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.810 -12.124 8.638 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.977 -12.662 10.810 1.00 0.00 H new ATOM 0 HD2 PHE A 20 8.597 -8.993 8.738 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.907 -11.667 12.850 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.519 -7.995 10.776 1.00 0.00 H new ATOM 0 HZ PHE A 20 9.687 -9.329 12.834 1.00 0.00 H new ATOM 336 N ASP A 21 9.535 -14.273 8.380 1.00 0.00 N ATOM 337 CA ASP A 21 9.480 -15.601 8.870 1.00 0.00 C ATOM 338 C ASP A 21 9.865 -15.600 10.256 1.00 0.00 C ATOM 339 O ASP A 21 10.916 -15.219 10.570 1.00 0.00 O ATOM 340 CB ASP A 21 10.388 -16.537 8.163 1.00 0.00 C ATOM 341 CG ASP A 21 9.757 -17.895 8.056 1.00 0.00 C ATOM 342 OD1 ASP A 21 9.540 -18.533 9.080 1.00 0.00 O ATOM 343 OD2 ASP A 21 9.427 -18.321 6.936 1.00 0.00 O ATOM 0 H ASP A 21 10.465 -13.855 8.361 1.00 0.00 H new ATOM 0 HA ASP A 21 8.457 -15.943 8.713 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.613 -16.154 7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.335 -16.610 8.698 1.00 0.00 H new ATOM 348 N ALA A 22 9.004 -16.004 11.037 1.00 0.00 N ATOM 349 CA ALA A 22 9.192 -16.164 12.462 1.00 0.00 C ATOM 350 C ALA A 22 10.175 -17.295 12.716 1.00 0.00 C ATOM 351 O ALA A 22 10.967 -17.246 13.650 1.00 0.00 O ATOM 352 CB ALA A 22 7.869 -16.446 13.134 1.00 0.00 C ATOM 0 H ALA A 22 8.067 -16.263 10.729 1.00 0.00 H new ATOM 0 HA ALA A 22 9.596 -15.242 12.881 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.024 -16.565 14.206 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.186 -15.616 12.955 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.441 -17.362 12.726 1.00 0.00 H new ATOM 358 N GLU A 23 10.167 -18.287 11.831 1.00 0.00 N ATOM 359 CA GLU A 23 11.106 -19.376 11.902 1.00 0.00 C ATOM 360 C GLU A 23 12.479 -18.892 11.498 1.00 0.00 C ATOM 361 O GLU A 23 13.488 -19.420 11.950 1.00 0.00 O ATOM 362 CB GLU A 23 10.681 -20.517 11.019 1.00 0.00 C ATOM 363 CG GLU A 23 9.473 -21.253 11.522 1.00 0.00 C ATOM 364 CD GLU A 23 9.725 -21.947 12.833 1.00 0.00 C ATOM 365 OE1 GLU A 23 10.604 -22.830 12.885 1.00 0.00 O ATOM 366 OE2 GLU A 23 9.060 -21.625 13.840 1.00 0.00 O ATOM 0 H GLU A 23 9.510 -18.349 11.053 1.00 0.00 H new ATOM 0 HA GLU A 23 11.136 -19.738 12.930 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.472 -20.133 10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.509 -21.219 10.924 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.647 -20.552 11.639 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.164 -21.988 10.779 1.00 0.00 H new ATOM 373 N VAL A 24 12.522 -17.858 10.648 1.00 0.00 N ATOM 374 CA VAL A 24 13.808 -17.279 10.261 1.00 0.00 C ATOM 375 C VAL A 24 14.102 -16.129 11.169 1.00 0.00 C ATOM 376 O VAL A 24 15.211 -15.594 11.224 1.00 0.00 O ATOM 377 CB VAL A 24 13.824 -16.738 8.808 1.00 0.00 C ATOM 378 CG1 VAL A 24 15.229 -16.350 8.346 1.00 0.00 C ATOM 379 CG2 VAL A 24 13.285 -17.754 7.925 1.00 0.00 C ATOM 0 H VAL A 24 11.704 -17.417 10.227 1.00 0.00 H new ATOM 0 HA VAL A 24 14.549 -18.075 10.333 1.00 0.00 H new ATOM 0 HB VAL A 24 13.215 -15.835 8.779 1.00 0.00 H new ATOM 0 HG11 VAL A 24 15.186 -15.977 7.323 1.00 0.00 H new ATOM 0 HG12 VAL A 24 15.625 -15.572 8.999 1.00 0.00 H new ATOM 0 HG13 VAL A 24 15.880 -17.224 8.387 1.00 0.00 H new ATOM 0 HG21 VAL A 24 13.291 -17.385 6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.896 -18.654 7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.262 -17.988 8.221 1.00 0.00 H new ATOM 389 N SER A 25 13.077 -15.799 11.929 1.00 0.00 N ATOM 390 CA SER A 25 12.972 -14.594 12.700 1.00 0.00 C ATOM 391 C SER A 25 13.237 -13.424 11.837 1.00 0.00 C ATOM 392 O SER A 25 13.637 -12.355 12.329 1.00 0.00 O ATOM 393 CB SER A 25 13.922 -14.647 13.814 1.00 0.00 C ATOM 394 OG SER A 25 13.493 -15.503 14.859 1.00 0.00 O ATOM 0 H SER A 25 12.258 -16.400 12.025 1.00 0.00 H new ATOM 0 HA SER A 25 11.964 -14.499 13.104 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.889 -14.988 13.445 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.068 -13.642 14.210 1.00 0.00 H new ATOM 0 HG SER A 25 12.727 -16.033 14.554 1.00 0.00 H new ATOM 400 N GLN A 26 12.950 -13.541 10.551 1.00 0.00 N ATOM 401 CA GLN A 26 13.452 -12.491 9.778 1.00 0.00 C ATOM 402 C GLN A 26 12.591 -12.137 8.578 1.00 0.00 C ATOM 403 O GLN A 26 11.859 -12.965 8.068 1.00 0.00 O ATOM 404 CB GLN A 26 14.879 -12.822 9.319 1.00 0.00 C ATOM 405 CG GLN A 26 15.591 -11.721 8.532 1.00 0.00 C ATOM 406 CD GLN A 26 17.009 -12.065 8.114 1.00 0.00 C ATOM 407 OE1 GLN A 26 17.846 -11.178 7.972 1.00 0.00 O ATOM 408 NE2 GLN A 26 17.294 -13.327 7.920 1.00 0.00 N ATOM 0 H GLN A 26 12.426 -14.281 10.084 1.00 0.00 H new ATOM 0 HA GLN A 26 13.448 -11.611 10.421 1.00 0.00 H new ATOM 0 HB2 GLN A 26 15.478 -13.061 10.198 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.844 -13.720 8.703 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.007 -11.494 7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.614 -10.815 9.138 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.574 -14.038 8.047 1.00 0.00 H new ATOM 0 HE22 GLN A 26 18.237 -13.600 7.642 1.00 0.00 H new ATOM 417 N TRP A 27 12.710 -10.900 8.158 1.00 0.00 N ATOM 418 CA TRP A 27 12.205 -10.400 6.963 1.00 0.00 C ATOM 419 C TRP A 27 13.237 -10.733 5.858 1.00 0.00 C ATOM 420 O TRP A 27 14.315 -10.156 5.797 1.00 0.00 O ATOM 421 CB TRP A 27 12.013 -8.884 7.145 1.00 0.00 C ATOM 422 CG TRP A 27 13.158 -8.174 7.860 1.00 0.00 C ATOM 423 CD1 TRP A 27 14.230 -7.551 7.284 1.00 0.00 C ATOM 424 CD2 TRP A 27 13.333 -8.029 9.280 1.00 0.00 C ATOM 425 NE1 TRP A 27 15.062 -7.051 8.252 1.00 0.00 N ATOM 426 CE2 TRP A 27 14.532 -7.326 9.483 1.00 0.00 C ATOM 427 CE3 TRP A 27 12.592 -8.431 10.393 1.00 0.00 C ATOM 428 CZ2 TRP A 27 15.005 -7.019 10.754 1.00 0.00 C ATOM 429 CZ3 TRP A 27 13.061 -8.126 11.650 1.00 0.00 C ATOM 430 CH2 TRP A 27 14.257 -7.425 11.822 1.00 0.00 C ATOM 0 H TRP A 27 13.202 -10.191 8.702 1.00 0.00 H new ATOM 0 HA TRP A 27 11.246 -10.835 6.683 1.00 0.00 H new ATOM 0 HB2 TRP A 27 11.879 -8.429 6.164 1.00 0.00 H new ATOM 0 HB3 TRP A 27 11.093 -8.713 7.704 1.00 0.00 H new ATOM 0 HD1 TRP A 27 14.397 -7.465 6.220 1.00 0.00 H new ATOM 0 HE1 TRP A 27 15.936 -6.554 8.082 1.00 0.00 H new ATOM 0 HE3 TRP A 27 11.666 -8.973 10.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 15.930 -6.479 10.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 12.496 -8.433 12.517 1.00 0.00 H new ATOM 0 HH2 TRP A 27 14.598 -7.199 12.822 1.00 0.00 H new ATOM 441 N LYS A 28 12.941 -11.705 5.069 1.00 0.00 N ATOM 442 CA LYS A 28 13.869 -12.175 4.053 1.00 0.00 C ATOM 443 C LYS A 28 13.159 -12.106 2.737 1.00 0.00 C ATOM 444 O LYS A 28 11.955 -12.346 2.685 1.00 0.00 O ATOM 445 CB LYS A 28 14.342 -13.607 4.437 1.00 0.00 C ATOM 446 CG LYS A 28 15.653 -14.127 3.805 1.00 0.00 C ATOM 447 CD LYS A 28 15.565 -14.422 2.312 1.00 0.00 C ATOM 448 CE LYS A 28 14.536 -15.500 1.997 1.00 0.00 C ATOM 449 NZ LYS A 28 14.528 -15.841 0.565 1.00 0.00 N ATOM 0 H LYS A 28 12.054 -12.209 5.094 1.00 0.00 H new ATOM 0 HA LYS A 28 14.768 -11.563 3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 28 14.455 -13.643 5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.545 -14.304 4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 28 16.438 -13.389 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.955 -15.036 4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.306 -13.508 1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.543 -14.738 1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.753 -16.393 2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.545 -15.156 2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.648 -15.496 0.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.343 -15.395 0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.587 -16.873 0.454 1.00 0.00 H new ATOM 463 N GLU A 29 13.892 -11.709 1.696 1.00 0.00 N ATOM 464 CA GLU A 29 13.355 -11.469 0.434 1.00 0.00 C ATOM 465 C GLU A 29 12.499 -12.562 -0.113 1.00 0.00 C ATOM 466 O GLU A 29 12.826 -13.742 -0.093 1.00 0.00 O ATOM 467 CB GLU A 29 14.337 -10.835 -0.580 1.00 0.00 C ATOM 468 CG GLU A 29 15.688 -11.533 -0.778 1.00 0.00 C ATOM 469 CD GLU A 29 15.606 -12.856 -1.497 1.00 0.00 C ATOM 470 OE1 GLU A 29 15.551 -12.873 -2.740 1.00 0.00 O ATOM 471 OE2 GLU A 29 15.646 -13.901 -0.841 1.00 0.00 O ATOM 0 H GLU A 29 14.899 -11.553 1.750 1.00 0.00 H new ATOM 0 HA GLU A 29 12.636 -10.671 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.838 -10.785 -1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.530 -9.809 -0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.347 -10.870 -1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.148 -11.691 0.197 1.00 0.00 H new ATOM 478 N ARG A 30 11.404 -12.135 -0.552 1.00 0.00 N ATOM 479 CA ARG A 30 10.355 -13.006 -1.052 1.00 0.00 C ATOM 480 C ARG A 30 10.489 -13.006 -2.532 1.00 0.00 C ATOM 481 O ARG A 30 10.294 -14.015 -3.226 1.00 0.00 O ATOM 482 CB ARG A 30 9.014 -12.383 -0.733 1.00 0.00 C ATOM 483 CG ARG A 30 7.903 -13.351 -0.333 1.00 0.00 C ATOM 484 CD ARG A 30 6.581 -12.608 -0.289 1.00 0.00 C ATOM 485 NE ARG A 30 5.514 -13.306 0.428 1.00 0.00 N ATOM 486 CZ ARG A 30 4.202 -13.017 0.319 1.00 0.00 C ATOM 487 NH1 ARG A 30 3.726 -12.412 -0.755 1.00 0.00 N ATOM 488 NH2 ARG A 30 3.375 -13.386 1.267 1.00 0.00 N ATOM 0 H ARG A 30 11.167 -11.144 -0.591 1.00 0.00 H new ATOM 0 HA ARG A 30 10.428 -14.003 -0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.152 -11.666 0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.681 -11.820 -1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.847 -14.173 -1.046 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.120 -13.789 0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.740 -11.637 0.179 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.251 -12.419 -1.311 1.00 0.00 H new ATOM 0 HE ARG A 30 5.782 -14.065 1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.354 -12.157 -1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.730 -12.200 -0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.725 -13.889 2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.381 -13.170 1.189 1.00 0.00 H new ATOM 502 N GLY A 31 10.789 -11.838 -2.998 1.00 0.00 N ATOM 503 CA GLY A 31 10.951 -11.575 -4.370 1.00 0.00 C ATOM 504 C GLY A 31 11.237 -10.125 -4.566 1.00 0.00 C ATOM 505 O GLY A 31 10.731 -9.296 -3.843 1.00 0.00 O ATOM 0 H GLY A 31 10.930 -11.020 -2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.767 -12.175 -4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.049 -11.856 -4.914 1.00 0.00 H new ATOM 509 N LEU A 32 12.049 -9.834 -5.492 1.00 0.00 N ATOM 510 CA LEU A 32 12.417 -8.485 -5.835 1.00 0.00 C ATOM 511 C LEU A 32 11.746 -8.203 -7.157 1.00 0.00 C ATOM 512 O LEU A 32 11.618 -9.120 -7.986 1.00 0.00 O ATOM 513 CB LEU A 32 13.959 -8.336 -6.038 1.00 0.00 C ATOM 514 CG LEU A 32 14.935 -8.952 -4.992 1.00 0.00 C ATOM 515 CD1 LEU A 32 14.543 -8.639 -3.570 1.00 0.00 C ATOM 516 CD2 LEU A 32 15.128 -10.445 -5.199 1.00 0.00 C ATOM 0 H LEU A 32 12.507 -10.539 -6.069 1.00 0.00 H new ATOM 0 HA LEU A 32 12.119 -7.805 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.204 -8.770 -7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.178 -7.270 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 32 15.898 -8.471 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.260 -9.094 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.537 -7.559 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.548 -9.037 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.816 -10.831 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.168 -10.952 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.539 -10.624 -6.193 1.00 0.00 H new ATOM 528 N GLY A 33 11.303 -6.999 -7.374 1.00 0.00 N ATOM 529 CA GLY A 33 10.641 -6.724 -8.610 1.00 0.00 C ATOM 530 C GLY A 33 10.187 -5.306 -8.745 1.00 0.00 C ATOM 531 O GLY A 33 10.884 -4.398 -8.374 1.00 0.00 O ATOM 0 H GLY A 33 11.385 -6.213 -6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.315 -6.961 -9.434 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.778 -7.383 -8.705 1.00 0.00 H new ATOM 535 N ASN A 34 8.988 -5.158 -9.205 1.00 0.00 N ATOM 536 CA ASN A 34 8.359 -3.920 -9.563 1.00 0.00 C ATOM 537 C ASN A 34 7.129 -3.817 -8.810 1.00 0.00 C ATOM 538 O ASN A 34 6.293 -4.741 -8.782 1.00 0.00 O ATOM 539 CB ASN A 34 8.038 -3.953 -11.020 1.00 0.00 C ATOM 540 CG ASN A 34 7.255 -2.760 -11.506 1.00 0.00 C ATOM 541 OD1 ASN A 34 7.813 -1.766 -11.940 1.00 0.00 O ATOM 542 ND2 ASN A 34 5.956 -2.878 -11.472 1.00 0.00 N ATOM 0 H ASN A 34 8.373 -5.958 -9.353 1.00 0.00 H new ATOM 0 HA ASN A 34 9.011 -3.073 -9.349 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.968 -4.018 -11.584 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.471 -4.858 -11.235 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.366 -2.121 -11.817 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.531 -3.727 -11.100 1.00 0.00 H new ATOM 549 N LEU A 35 7.020 -2.744 -8.190 1.00 0.00 N ATOM 550 CA LEU A 35 5.921 -2.454 -7.438 1.00 0.00 C ATOM 551 C LEU A 35 4.938 -1.776 -8.330 1.00 0.00 C ATOM 552 O LEU A 35 5.212 -0.736 -8.903 1.00 0.00 O ATOM 553 CB LEU A 35 6.295 -1.645 -6.181 1.00 0.00 C ATOM 554 CG LEU A 35 5.255 -1.499 -5.049 1.00 0.00 C ATOM 555 CD1 LEU A 35 5.924 -0.900 -3.829 1.00 0.00 C ATOM 556 CD2 LEU A 35 4.096 -0.615 -5.456 1.00 0.00 C ATOM 0 H LEU A 35 7.730 -2.011 -8.195 1.00 0.00 H new ATOM 0 HA LEU A 35 5.461 -3.360 -7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.188 -2.099 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.572 -0.642 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 35 4.863 -2.492 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.193 -0.795 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.732 -1.553 -3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.329 0.080 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.388 -0.540 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.467 0.379 -5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.597 -1.046 -6.324 1.00 0.00 H new ATOM 568 N LYS A 36 3.838 -2.379 -8.434 1.00 0.00 N ATOM 569 CA LYS A 36 2.791 -1.959 -9.243 1.00 0.00 C ATOM 570 C LYS A 36 1.680 -1.455 -8.340 1.00 0.00 C ATOM 571 O LYS A 36 1.375 -2.071 -7.325 1.00 0.00 O ATOM 572 CB LYS A 36 2.341 -3.151 -10.105 1.00 0.00 C ATOM 573 CG LYS A 36 1.108 -2.948 -10.968 1.00 0.00 C ATOM 574 CD LYS A 36 0.799 -4.225 -11.746 1.00 0.00 C ATOM 575 CE LYS A 36 -0.461 -4.097 -12.577 1.00 0.00 C ATOM 576 NZ LYS A 36 -0.708 -5.293 -13.411 1.00 0.00 N ATOM 0 H LYS A 36 3.631 -3.237 -7.922 1.00 0.00 H new ATOM 0 HA LYS A 36 3.084 -1.150 -9.913 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.169 -3.430 -10.757 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.157 -3.998 -9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.257 -2.678 -10.343 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.270 -2.121 -11.660 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.639 -4.464 -12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.690 -5.056 -11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.313 -3.935 -11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.383 -3.219 -13.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.580 -5.159 -13.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.092 -5.435 -14.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.810 -6.128 -12.799 1.00 0.00 H new ATOM 590 N ILE A 37 1.103 -0.355 -8.675 1.00 0.00 N ATOM 591 CA ILE A 37 0.035 0.168 -7.894 1.00 0.00 C ATOM 592 C ILE A 37 -1.236 0.071 -8.622 1.00 0.00 C ATOM 593 O ILE A 37 -1.351 0.501 -9.778 1.00 0.00 O ATOM 594 CB ILE A 37 0.280 1.643 -7.539 1.00 0.00 C ATOM 595 CG1 ILE A 37 1.407 1.731 -6.532 1.00 0.00 C ATOM 596 CG2 ILE A 37 -1.009 2.337 -7.027 1.00 0.00 C ATOM 597 CD1 ILE A 37 1.029 1.267 -5.132 1.00 0.00 C ATOM 0 H ILE A 37 1.354 0.204 -9.490 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.015 -0.423 -6.980 1.00 0.00 H new ATOM 0 HB ILE A 37 0.571 2.180 -8.442 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.245 1.132 -6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.753 2.763 -6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.791 3.378 -6.787 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.776 2.295 -7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.367 1.826 -6.133 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.891 1.362 -4.472 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.213 1.882 -4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.712 0.225 -5.167 1.00 0.00 H new ATOM 609 N LEU A 38 -2.170 -0.526 -7.973 1.00 0.00 N ATOM 610 CA LEU A 38 -3.493 -0.546 -8.465 1.00 0.00 C ATOM 611 C LEU A 38 -4.371 0.295 -7.534 1.00 0.00 C ATOM 612 O LEU A 38 -4.308 0.165 -6.311 1.00 0.00 O ATOM 613 CB LEU A 38 -4.001 -1.981 -8.552 1.00 0.00 C ATOM 614 CG LEU A 38 -3.335 -2.899 -9.589 1.00 0.00 C ATOM 615 CD1 LEU A 38 -3.797 -4.336 -9.407 1.00 0.00 C ATOM 616 CD2 LEU A 38 -3.675 -2.441 -10.987 1.00 0.00 C ATOM 0 H LEU A 38 -2.035 -1.013 -7.087 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.527 -0.124 -9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.886 -2.440 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.069 -1.949 -8.766 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.256 -2.849 -9.442 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.314 -4.970 -10.151 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.530 -4.680 -8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.879 -4.389 -9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.197 -3.100 -11.712 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.756 -2.471 -11.127 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.318 -1.421 -11.133 1.00 0.00 H new ATOM 628 N LYS A 39 -5.161 1.152 -8.106 1.00 0.00 N ATOM 629 CA LYS A 39 -6.079 1.982 -7.344 1.00 0.00 C ATOM 630 C LYS A 39 -7.484 1.797 -7.910 1.00 0.00 C ATOM 631 O LYS A 39 -7.690 1.937 -9.118 1.00 0.00 O ATOM 632 CB LYS A 39 -5.619 3.466 -7.417 1.00 0.00 C ATOM 633 CG LYS A 39 -6.231 4.423 -6.366 1.00 0.00 C ATOM 634 CD LYS A 39 -7.683 4.812 -6.615 1.00 0.00 C ATOM 635 CE LYS A 39 -7.838 5.659 -7.871 1.00 0.00 C ATOM 636 NZ LYS A 39 -9.220 6.155 -8.033 1.00 0.00 N ATOM 0 H LYS A 39 -5.197 1.305 -9.114 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.086 1.690 -6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.534 3.494 -7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.856 3.850 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.160 3.954 -5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.629 5.331 -6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.289 3.911 -6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.063 5.364 -5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.152 6.505 -7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.559 5.069 -8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.273 6.768 -8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.866 5.349 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.495 6.697 -7.189 1.00 0.00 H new ATOM 650 N ASN A 40 -8.431 1.481 -7.042 1.00 0.00 N ATOM 651 CA ASN A 40 -9.836 1.200 -7.448 1.00 0.00 C ATOM 652 C ASN A 40 -10.554 2.367 -8.069 1.00 0.00 C ATOM 653 O ASN A 40 -10.334 3.526 -7.709 1.00 0.00 O ATOM 654 CB ASN A 40 -10.712 0.695 -6.293 1.00 0.00 C ATOM 655 CG ASN A 40 -10.442 -0.720 -5.901 1.00 0.00 C ATOM 656 OD1 ASN A 40 -9.646 -0.980 -5.029 1.00 0.00 O ATOM 657 ND2 ASN A 40 -11.118 -1.633 -6.543 1.00 0.00 N ATOM 0 H ASN A 40 -8.269 1.407 -6.038 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.708 0.420 -8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.558 1.337 -5.426 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.760 0.789 -6.577 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.986 -2.619 -6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.778 -1.361 -7.271 1.00 0.00 H new ATOM 664 N GLU A 41 -11.420 2.051 -9.007 1.00 0.00 N ATOM 665 CA GLU A 41 -12.280 2.944 -9.634 1.00 0.00 C ATOM 666 C GLU A 41 -13.379 3.356 -8.668 1.00 0.00 C ATOM 667 O GLU A 41 -13.986 4.406 -8.803 1.00 0.00 O ATOM 668 CB GLU A 41 -12.836 2.214 -10.796 1.00 0.00 C ATOM 669 CG GLU A 41 -11.912 2.164 -11.980 1.00 0.00 C ATOM 670 CD GLU A 41 -11.784 3.492 -12.665 1.00 0.00 C ATOM 671 OE1 GLU A 41 -11.081 4.384 -12.155 1.00 0.00 O ATOM 672 OE2 GLU A 41 -12.395 3.673 -13.736 1.00 0.00 O ATOM 0 H GLU A 41 -11.524 1.096 -9.351 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.774 3.856 -9.952 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.077 1.195 -10.492 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.771 2.687 -11.096 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.927 1.830 -11.654 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.279 1.425 -12.692 1.00 0.00 H new ATOM 679 N VAL A 42 -13.599 2.512 -7.668 1.00 0.00 N ATOM 680 CA VAL A 42 -14.478 2.760 -6.603 1.00 0.00 C ATOM 681 C VAL A 42 -13.793 3.763 -5.665 1.00 0.00 C ATOM 682 O VAL A 42 -14.433 4.498 -4.915 1.00 0.00 O ATOM 683 CB VAL A 42 -14.674 1.403 -5.892 1.00 0.00 C ATOM 684 CG1 VAL A 42 -15.274 1.563 -4.554 1.00 0.00 C ATOM 685 CG2 VAL A 42 -15.504 0.450 -6.738 1.00 0.00 C ATOM 0 H VAL A 42 -13.135 1.606 -7.602 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.438 3.168 -6.920 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.682 0.970 -5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.394 0.584 -4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.623 2.181 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.248 2.042 -4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.624 -0.496 -6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.485 0.888 -6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.000 0.273 -7.688 1.00 0.00 H new ATOM 695 N ASN A 43 -12.466 3.802 -5.807 1.00 0.00 N ATOM 696 CA ASN A 43 -11.543 4.570 -5.004 1.00 0.00 C ATOM 697 C ASN A 43 -11.728 4.142 -3.560 1.00 0.00 C ATOM 698 O ASN A 43 -11.665 4.919 -2.618 1.00 0.00 O ATOM 699 CB ASN A 43 -11.794 6.047 -5.253 1.00 0.00 C ATOM 700 CG ASN A 43 -10.709 6.991 -4.728 1.00 0.00 C ATOM 701 OD1 ASN A 43 -9.748 7.282 -5.455 1.00 0.00 O ATOM 702 ND2 ASN A 43 -10.838 7.477 -3.521 1.00 0.00 N ATOM 0 H ASN A 43 -11.991 3.263 -6.531 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.500 4.391 -5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.902 6.205 -6.326 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.744 6.320 -4.793 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.135 8.117 -3.151 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.642 7.216 -2.949 1.00 0.00 H new ATOM 709 N GLY A 44 -11.960 2.843 -3.422 1.00 0.00 N ATOM 710 CA GLY A 44 -12.160 2.264 -2.126 1.00 0.00 C ATOM 711 C GLY A 44 -10.856 2.127 -1.401 1.00 0.00 C ATOM 712 O GLY A 44 -10.634 2.753 -0.373 1.00 0.00 O ATOM 0 H GLY A 44 -12.012 2.182 -4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.841 2.886 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.630 1.286 -2.228 1.00 0.00 H new ATOM 716 N LYS A 45 -9.999 1.299 -1.931 1.00 0.00 N ATOM 717 CA LYS A 45 -8.696 1.098 -1.387 1.00 0.00 C ATOM 718 C LYS A 45 -7.706 1.118 -2.518 1.00 0.00 C ATOM 719 O LYS A 45 -8.086 1.065 -3.700 1.00 0.00 O ATOM 720 CB LYS A 45 -8.566 -0.251 -0.622 1.00 0.00 C ATOM 721 CG LYS A 45 -9.330 -0.378 0.712 1.00 0.00 C ATOM 722 CD LYS A 45 -10.833 -0.534 0.522 1.00 0.00 C ATOM 723 CE LYS A 45 -11.574 -0.608 1.850 1.00 0.00 C ATOM 724 NZ LYS A 45 -11.171 -1.781 2.655 1.00 0.00 N ATOM 0 H LYS A 45 -10.193 0.741 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.504 1.895 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.904 -1.049 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.509 -0.428 -0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.948 -1.237 1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.136 0.504 1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.214 0.306 -0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.033 -1.437 -0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.386 0.302 2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.647 -0.650 1.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.795 -1.865 3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.247 -2.642 2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.188 -1.663 2.973 1.00 0.00 H new ATOM 738 N LEU A 46 -6.476 1.251 -2.180 1.00 0.00 N ATOM 739 CA LEU A 46 -5.435 1.150 -3.106 1.00 0.00 C ATOM 740 C LEU A 46 -4.601 0.024 -2.711 1.00 0.00 C ATOM 741 O LEU A 46 -4.524 -0.351 -1.534 1.00 0.00 O ATOM 742 CB LEU A 46 -4.677 2.446 -3.142 1.00 0.00 C ATOM 743 CG LEU A 46 -3.513 2.681 -4.134 1.00 0.00 C ATOM 744 CD1 LEU A 46 -3.344 4.169 -4.350 1.00 0.00 C ATOM 745 CD2 LEU A 46 -2.213 2.169 -3.577 1.00 0.00 C ATOM 0 H LEU A 46 -6.169 1.438 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.804 0.970 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.408 3.234 -3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.276 2.605 -2.141 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.751 2.158 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.525 4.345 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.265 4.584 -4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.119 4.652 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.414 2.348 -4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.986 2.688 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.296 1.099 -3.385 1.00 0.00 H new ATOM 757 N ARG A 47 -4.020 -0.505 -3.654 1.00 0.00 N ATOM 758 CA ARG A 47 -3.157 -1.666 -3.471 1.00 0.00 C ATOM 759 C ARG A 47 -1.805 -1.347 -3.993 1.00 0.00 C ATOM 760 O ARG A 47 -1.642 -0.641 -4.989 1.00 0.00 O ATOM 761 CB ARG A 47 -3.529 -2.891 -4.287 1.00 0.00 C ATOM 762 CG ARG A 47 -4.880 -2.910 -5.022 1.00 0.00 C ATOM 763 CD ARG A 47 -6.033 -3.071 -4.055 1.00 0.00 C ATOM 764 NE ARG A 47 -7.303 -3.384 -4.716 1.00 0.00 N ATOM 765 CZ ARG A 47 -8.471 -3.647 -4.090 1.00 0.00 C ATOM 766 NH1 ARG A 47 -8.635 -3.396 -2.796 1.00 0.00 N ATOM 767 NH2 ARG A 47 -9.476 -4.117 -4.782 1.00 0.00 N ATOM 0 H ARG A 47 -4.092 -0.183 -4.619 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.235 -1.881 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.747 -3.042 -5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.505 -3.752 -3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.002 -1.985 -5.585 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.892 -3.727 -5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.795 -3.864 -3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.147 -2.152 -3.480 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.305 -3.405 -5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.870 -2.996 -2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.526 -3.603 -2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.373 -4.281 -5.783 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.363 -4.319 -4.320 1.00 0.00 H new ATOM 781 N MET A 48 -0.895 -1.913 -3.379 1.00 0.00 N ATOM 782 CA MET A 48 0.440 -1.910 -3.733 1.00 0.00 C ATOM 783 C MET A 48 0.788 -3.359 -3.853 1.00 0.00 C ATOM 784 O MET A 48 0.667 -4.130 -2.898 1.00 0.00 O ATOM 785 CB MET A 48 1.282 -1.279 -2.612 1.00 0.00 C ATOM 786 CG MET A 48 0.760 0.064 -2.114 1.00 0.00 C ATOM 787 SD MET A 48 1.850 0.902 -0.957 1.00 0.00 S ATOM 788 CE MET A 48 3.314 1.166 -1.945 1.00 0.00 C ATOM 0 H MET A 48 -1.071 -2.447 -2.528 1.00 0.00 H new ATOM 0 HA MET A 48 0.628 -1.344 -4.646 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.325 -1.973 -1.772 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.303 -1.148 -2.970 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.591 0.715 -2.972 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.207 -0.091 -1.636 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.166 0.678 -1.471 1.00 0.00 H new ATOM 0 HE2 MET A 48 3.162 0.747 -2.940 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.509 2.235 -2.028 1.00 0.00 H new ATOM 798 N LEU A 49 1.153 -3.724 -4.992 1.00 0.00 N ATOM 799 CA LEU A 49 1.598 -5.050 -5.265 1.00 0.00 C ATOM 800 C LEU A 49 2.901 -5.041 -5.913 1.00 0.00 C ATOM 801 O LEU A 49 3.262 -4.118 -6.588 1.00 0.00 O ATOM 802 CB LEU A 49 0.675 -5.851 -6.127 1.00 0.00 C ATOM 803 CG LEU A 49 0.189 -5.215 -7.443 1.00 0.00 C ATOM 804 CD1 LEU A 49 -0.322 -6.283 -8.358 1.00 0.00 C ATOM 805 CD2 LEU A 49 -0.944 -4.236 -7.174 1.00 0.00 C ATOM 0 H LEU A 49 1.161 -3.108 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 49 1.638 -5.524 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.175 -6.788 -6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.203 -6.104 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 49 1.028 -4.689 -7.900 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.665 -5.831 -9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.478 -6.992 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.151 -6.805 -7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.275 -3.796 -8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.776 -4.762 -6.706 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.593 -3.448 -6.508 1.00 0.00 H new ATOM 817 N MET A 50 3.607 -6.050 -5.713 1.00 0.00 N ATOM 818 CA MET A 50 4.799 -6.215 -6.244 1.00 0.00 C ATOM 819 C MET A 50 4.791 -7.499 -6.920 1.00 0.00 C ATOM 820 O MET A 50 4.438 -8.531 -6.378 1.00 0.00 O ATOM 821 CB MET A 50 5.869 -6.167 -5.229 1.00 0.00 C ATOM 822 CG MET A 50 5.486 -6.788 -3.901 1.00 0.00 C ATOM 823 SD MET A 50 4.552 -5.705 -2.796 1.00 0.00 S ATOM 824 CE MET A 50 5.706 -4.358 -2.590 1.00 0.00 C ATOM 0 H MET A 50 3.313 -6.826 -5.121 1.00 0.00 H new ATOM 0 HA MET A 50 5.007 -5.404 -6.942 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.748 -6.680 -5.618 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.153 -5.128 -5.064 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.896 -7.684 -4.092 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.394 -7.108 -3.390 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.976 -4.268 -1.538 1.00 0.00 H new ATOM 0 HE2 MET A 50 6.602 -4.553 -3.179 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.245 -3.429 -2.927 1.00 0.00 H new ATOM 834 N ARG A 51 5.119 -7.375 -8.042 1.00 0.00 N ATOM 835 CA ARG A 51 5.253 -8.381 -9.046 1.00 0.00 C ATOM 836 C ARG A 51 6.685 -8.452 -9.361 1.00 0.00 C ATOM 837 O ARG A 51 7.417 -7.463 -9.272 1.00 0.00 O ATOM 838 CB ARG A 51 4.468 -7.918 -10.254 1.00 0.00 C ATOM 839 CG ARG A 51 4.432 -8.711 -11.565 1.00 0.00 C ATOM 840 CD ARG A 51 3.649 -7.865 -12.571 1.00 0.00 C ATOM 841 NE ARG A 51 3.483 -8.459 -13.895 1.00 0.00 N ATOM 842 CZ ARG A 51 4.259 -8.195 -14.960 1.00 0.00 C ATOM 843 NH1 ARG A 51 5.438 -7.622 -14.813 1.00 0.00 N ATOM 844 NH2 ARG A 51 3.848 -8.524 -16.162 1.00 0.00 N ATOM 0 H ARG A 51 5.353 -6.454 -8.412 1.00 0.00 H new ATOM 0 HA ARG A 51 4.885 -9.358 -8.732 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.434 -7.805 -9.929 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.835 -6.922 -10.502 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.442 -8.906 -11.927 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.953 -9.679 -11.418 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.662 -7.660 -12.157 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.153 -6.905 -12.683 1.00 0.00 H new ATOM 0 HE ARG A 51 2.720 -9.125 -14.021 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.772 -7.373 -13.882 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.016 -7.428 -15.631 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.943 -8.978 -16.285 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.434 -8.326 -16.973 1.00 0.00 H new ATOM 858 N ARG A 52 7.085 -9.577 -9.686 1.00 0.00 N ATOM 859 CA ARG A 52 8.379 -9.797 -10.048 1.00 0.00 C ATOM 860 C ARG A 52 8.390 -9.527 -11.488 1.00 0.00 C ATOM 861 O ARG A 52 7.602 -10.078 -12.235 1.00 0.00 O ATOM 862 CB ARG A 52 8.809 -11.185 -9.624 1.00 0.00 C ATOM 863 CG ARG A 52 8.907 -11.355 -8.114 1.00 0.00 C ATOM 864 CD ARG A 52 9.168 -12.805 -7.715 1.00 0.00 C ATOM 865 NE ARG A 52 10.451 -13.326 -8.196 1.00 0.00 N ATOM 866 CZ ARG A 52 10.749 -14.633 -8.302 1.00 0.00 C ATOM 867 NH1 ARG A 52 9.846 -15.566 -7.983 1.00 0.00 N ATOM 868 NH2 ARG A 52 11.954 -15.007 -8.714 1.00 0.00 N ATOM 0 H ARG A 52 6.494 -10.408 -9.708 1.00 0.00 H new ATOM 0 HA ARG A 52 9.115 -9.159 -9.560 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.100 -11.913 -10.018 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.778 -11.409 -10.071 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.708 -10.724 -7.730 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.982 -11.013 -7.650 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.138 -12.885 -6.628 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.364 -13.430 -8.103 1.00 0.00 H new ATOM 0 HE ARG A 52 11.166 -12.652 -8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.921 -15.289 -7.656 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.083 -16.555 -8.067 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.653 -14.303 -8.950 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.181 -15.998 -8.795 1.00 0.00 H new ATOM 882 N GLU A 53 9.236 -8.623 -11.820 1.00 0.00 N ATOM 883 CA GLU A 53 9.353 -7.972 -13.131 1.00 0.00 C ATOM 884 C GLU A 53 9.354 -8.916 -14.218 1.00 0.00 C ATOM 885 O GLU A 53 8.358 -9.083 -14.916 1.00 0.00 O ATOM 886 CB GLU A 53 10.612 -7.121 -13.166 1.00 0.00 C ATOM 887 CG GLU A 53 10.698 -6.146 -14.318 1.00 0.00 C ATOM 888 CD GLU A 53 12.013 -5.428 -14.346 1.00 0.00 C ATOM 889 OE1 GLU A 53 13.013 -6.009 -14.836 1.00 0.00 O ATOM 890 OE2 GLU A 53 12.094 -4.276 -13.877 1.00 0.00 O ATOM 0 H GLU A 53 9.927 -8.273 -11.156 1.00 0.00 H new ATOM 0 HA GLU A 53 8.475 -7.340 -13.265 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.680 -6.563 -12.232 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.477 -7.782 -13.205 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.556 -6.681 -15.257 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.889 -5.419 -14.240 1.00 0.00 H new ATOM 897 N GLN A 54 10.403 -9.570 -14.337 1.00 0.00 N ATOM 898 CA GLN A 54 10.555 -10.427 -15.434 1.00 0.00 C ATOM 899 C GLN A 54 9.867 -11.773 -15.174 1.00 0.00 C ATOM 900 O GLN A 54 9.755 -12.631 -16.045 1.00 0.00 O ATOM 901 CB GLN A 54 12.008 -10.520 -15.855 1.00 0.00 C ATOM 902 CG GLN A 54 12.574 -9.158 -16.240 1.00 0.00 C ATOM 903 CD GLN A 54 14.067 -9.147 -16.451 1.00 0.00 C ATOM 904 OE1 GLN A 54 14.670 -10.145 -16.852 1.00 0.00 O ATOM 905 NE2 GLN A 54 14.676 -8.018 -16.187 1.00 0.00 N ATOM 0 H GLN A 54 11.190 -9.541 -13.689 1.00 0.00 H new ATOM 0 HA GLN A 54 10.041 -10.008 -16.299 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.596 -10.941 -15.040 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.099 -11.203 -16.699 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.087 -8.820 -17.154 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.323 -8.439 -15.460 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.141 -7.215 -15.857 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.686 -7.942 -16.311 1.00 0.00 H new ATOM 914 N VAL A 55 9.410 -11.924 -13.956 1.00 0.00 N ATOM 915 CA VAL A 55 8.766 -13.095 -13.485 1.00 0.00 C ATOM 916 C VAL A 55 7.222 -12.993 -13.695 1.00 0.00 C ATOM 917 O VAL A 55 6.477 -13.958 -13.472 1.00 0.00 O ATOM 918 CB VAL A 55 9.144 -13.180 -11.983 1.00 0.00 C ATOM 919 CG1 VAL A 55 8.304 -14.167 -11.210 1.00 0.00 C ATOM 920 CG2 VAL A 55 10.617 -13.536 -11.848 1.00 0.00 C ATOM 0 H VAL A 55 9.487 -11.195 -13.246 1.00 0.00 H new ATOM 0 HA VAL A 55 9.077 -13.991 -14.022 1.00 0.00 H new ATOM 0 HB VAL A 55 8.946 -12.199 -11.551 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.621 -14.176 -10.167 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.255 -13.876 -11.268 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.428 -15.163 -11.636 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.882 -13.595 -10.792 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.804 -14.499 -12.324 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.222 -12.769 -12.331 1.00 0.00 H new ATOM 930 N LEU A 56 6.782 -11.822 -14.205 1.00 0.00 N ATOM 931 CA LEU A 56 5.435 -11.458 -14.573 1.00 0.00 C ATOM 932 C LEU A 56 4.379 -11.702 -13.450 1.00 0.00 C ATOM 933 O LEU A 56 3.167 -11.501 -13.633 1.00 0.00 O ATOM 934 CB LEU A 56 5.190 -12.431 -15.671 1.00 0.00 C ATOM 935 CG LEU A 56 3.811 -12.557 -16.169 1.00 0.00 C ATOM 936 CD1 LEU A 56 3.442 -11.472 -17.164 1.00 0.00 C ATOM 937 CD2 LEU A 56 3.472 -13.949 -16.648 1.00 0.00 C ATOM 0 H LEU A 56 7.432 -11.055 -14.377 1.00 0.00 H new ATOM 0 HA LEU A 56 5.343 -10.398 -14.809 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.828 -12.158 -16.512 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.516 -13.413 -15.329 1.00 0.00 H new ATOM 0 HG LEU A 56 3.170 -12.392 -15.303 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.414 -11.617 -17.496 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.536 -10.495 -16.689 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.111 -11.523 -18.023 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.441 -13.971 -17.001 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.141 -14.226 -17.463 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.589 -14.655 -15.826 1.00 0.00 H new ATOM 949 N LYS A 57 4.827 -12.003 -12.307 1.00 0.00 N ATOM 950 CA LYS A 57 3.913 -12.324 -11.258 1.00 0.00 C ATOM 951 C LYS A 57 4.021 -11.582 -9.913 1.00 0.00 C ATOM 952 O LYS A 57 5.005 -11.745 -9.178 1.00 0.00 O ATOM 953 CB LYS A 57 3.886 -13.793 -11.104 1.00 0.00 C ATOM 954 CG LYS A 57 2.732 -14.312 -10.255 1.00 0.00 C ATOM 955 CD LYS A 57 2.716 -15.825 -10.194 1.00 0.00 C ATOM 956 CE LYS A 57 1.534 -16.328 -9.384 1.00 0.00 C ATOM 957 NZ LYS A 57 1.474 -17.796 -9.352 1.00 0.00 N ATOM 0 H LYS A 57 5.815 -12.039 -12.055 1.00 0.00 H new ATOM 0 HA LYS A 57 2.956 -11.926 -11.594 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.829 -14.249 -12.092 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.826 -14.117 -10.657 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.813 -13.908 -9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.788 -13.955 -10.667 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.668 -16.232 -11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.644 -16.184 -9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.603 -15.946 -8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.610 -15.936 -9.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.653 -18.098 -8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.382 -18.161 -10.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.344 -18.170 -8.923 1.00 0.00 H new ATOM 971 N VAL A 58 3.091 -10.670 -9.694 1.00 0.00 N ATOM 972 CA VAL A 58 2.666 -10.228 -8.358 1.00 0.00 C ATOM 973 C VAL A 58 2.787 -11.322 -7.282 1.00 0.00 C ATOM 974 O VAL A 58 2.282 -12.446 -7.412 1.00 0.00 O ATOM 975 CB VAL A 58 1.208 -9.699 -8.402 1.00 0.00 C ATOM 976 CG1 VAL A 58 0.244 -10.735 -8.985 1.00 0.00 C ATOM 977 CG2 VAL A 58 0.766 -9.273 -7.019 1.00 0.00 C ATOM 0 H VAL A 58 2.593 -10.200 -10.450 1.00 0.00 H new ATOM 0 HA VAL A 58 3.349 -9.427 -8.074 1.00 0.00 H new ATOM 0 HB VAL A 58 1.187 -8.832 -9.063 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.766 -10.325 -8.998 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.548 -10.983 -10.002 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.262 -11.635 -8.371 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.259 -8.904 -7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.816 -10.126 -6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.422 -8.482 -6.655 1.00 0.00 H new ATOM 987 N CYS A 59 3.476 -10.977 -6.252 1.00 0.00 N ATOM 988 CA CYS A 59 3.690 -11.833 -5.146 1.00 0.00 C ATOM 989 C CYS A 59 2.791 -11.436 -3.987 1.00 0.00 C ATOM 990 O CYS A 59 2.295 -12.295 -3.278 1.00 0.00 O ATOM 991 CB CYS A 59 5.143 -11.743 -4.730 1.00 0.00 C ATOM 992 SG CYS A 59 6.287 -12.084 -6.069 1.00 0.00 S ATOM 0 H CYS A 59 3.918 -10.063 -6.156 1.00 0.00 H new ATOM 0 HA CYS A 59 3.450 -12.858 -5.429 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.340 -10.745 -4.338 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.325 -12.446 -3.918 1.00 0.00 H new ATOM 0 HG CYS A 59 5.682 -11.923 -7.208 1.00 0.00 H new ATOM 998 N ALA A 60 2.559 -10.132 -3.810 1.00 0.00 N ATOM 999 CA ALA A 60 1.825 -9.648 -2.716 1.00 0.00 C ATOM 1000 C ALA A 60 1.048 -8.533 -3.184 1.00 0.00 C ATOM 1001 O ALA A 60 1.550 -7.700 -3.905 1.00 0.00 O ATOM 1002 CB ALA A 60 2.717 -9.131 -1.621 1.00 0.00 C ATOM 0 H ALA A 60 2.892 -9.406 -4.445 1.00 0.00 H new ATOM 0 HA ALA A 60 1.220 -10.463 -2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.106 -8.767 -0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.363 -9.935 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.330 -8.316 -2.006 1.00 0.00 H new ATOM 1008 N ASN A 61 -0.144 -8.566 -2.853 1.00 0.00 N ATOM 1009 CA ASN A 61 -1.024 -7.462 -3.022 1.00 0.00 C ATOM 1010 C ASN A 61 -1.419 -6.955 -1.686 1.00 0.00 C ATOM 1011 O ASN A 61 -2.223 -7.566 -0.977 1.00 0.00 O ATOM 1012 CB ASN A 61 -2.225 -7.840 -3.794 1.00 0.00 C ATOM 1013 CG ASN A 61 -3.279 -6.738 -3.936 1.00 0.00 C ATOM 1014 OD1 ASN A 61 -3.274 -5.997 -4.901 1.00 0.00 O ATOM 1015 ND2 ASN A 61 -4.170 -6.614 -2.967 1.00 0.00 N ATOM 0 H ASN A 61 -0.586 -9.384 -2.435 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.505 -6.684 -3.582 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.914 -8.154 -4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.687 -8.704 -3.317 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.878 -5.882 -3.016 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.149 -7.251 -2.170 1.00 0.00 H new ATOM 1022 N HIS A 62 -0.820 -5.912 -1.329 1.00 0.00 N ATOM 1023 CA HIS A 62 -1.108 -5.227 -0.091 1.00 0.00 C ATOM 1024 C HIS A 62 -1.992 -4.023 -0.357 1.00 0.00 C ATOM 1025 O HIS A 62 -1.719 -3.228 -1.226 1.00 0.00 O ATOM 1026 CB HIS A 62 0.152 -4.662 0.531 1.00 0.00 C ATOM 1027 CG HIS A 62 1.156 -5.571 1.117 1.00 0.00 C ATOM 1028 ND1 HIS A 62 2.194 -6.093 0.393 1.00 0.00 N ATOM 1029 CD2 HIS A 62 1.390 -5.904 2.393 1.00 0.00 C ATOM 1030 CE1 HIS A 62 3.017 -6.696 1.202 1.00 0.00 C ATOM 1031 NE2 HIS A 62 2.552 -6.598 2.428 1.00 0.00 N ATOM 0 H HIS A 62 -0.087 -5.470 -1.883 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.581 -5.957 0.565 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.656 -4.073 -0.235 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.155 -3.970 1.315 1.00 0.00 H new ATOM 0 HD1 HIS A 62 2.305 -6.021 -0.618 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.765 -5.663 3.240 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.931 -7.194 0.914 1.00 0.00 H new ATOM 1039 N TRP A 63 -3.030 -3.917 0.373 1.00 0.00 N ATOM 1040 CA TRP A 63 -3.852 -2.747 0.395 1.00 0.00 C ATOM 1041 C TRP A 63 -3.224 -1.804 1.385 1.00 0.00 C ATOM 1042 O TRP A 63 -2.751 -2.232 2.433 1.00 0.00 O ATOM 1043 CB TRP A 63 -5.242 -3.096 0.932 1.00 0.00 C ATOM 1044 CG TRP A 63 -5.868 -4.268 0.262 1.00 0.00 C ATOM 1045 CD1 TRP A 63 -6.319 -4.323 -0.995 1.00 0.00 C ATOM 1046 CD2 TRP A 63 -6.116 -5.552 0.835 1.00 0.00 C ATOM 1047 NE1 TRP A 63 -6.832 -5.566 -1.275 1.00 0.00 N ATOM 1048 CE2 TRP A 63 -6.722 -6.340 -0.159 1.00 0.00 C ATOM 1049 CE3 TRP A 63 -5.885 -6.113 2.090 1.00 0.00 C ATOM 1050 CZ2 TRP A 63 -7.098 -7.655 0.060 1.00 0.00 C ATOM 1051 CZ3 TRP A 63 -6.260 -7.419 2.306 1.00 0.00 C ATOM 1052 CH2 TRP A 63 -6.860 -8.175 1.295 1.00 0.00 C ATOM 0 H TRP A 63 -3.353 -4.657 0.996 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.937 -2.324 -0.606 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.168 -3.297 2.001 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -5.894 -2.231 0.814 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.285 -3.502 -1.695 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.228 -5.860 -2.168 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -5.422 -5.535 2.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.561 -8.244 -0.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.088 -7.868 3.273 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -7.142 -9.197 1.499 1.00 0.00 H new ATOM 1063 N ILE A 64 -3.198 -0.557 1.071 1.00 0.00 N ATOM 1064 CA ILE A 64 -2.674 0.395 1.941 1.00 0.00 C ATOM 1065 C ILE A 64 -3.841 1.069 2.636 1.00 0.00 C ATOM 1066 O ILE A 64 -4.693 1.698 2.003 1.00 0.00 O ATOM 1067 CB ILE A 64 -1.666 1.356 1.191 1.00 0.00 C ATOM 1068 CG1 ILE A 64 -1.302 2.627 1.975 1.00 0.00 C ATOM 1069 CG2 ILE A 64 -2.145 1.697 -0.203 1.00 0.00 C ATOM 1070 CD1 ILE A 64 -2.363 3.675 1.925 1.00 0.00 C ATOM 0 H ILE A 64 -3.547 -0.181 0.190 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.056 -0.052 2.719 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.742 0.783 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.111 2.362 3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.375 3.039 1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.424 2.359 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.244 0.782 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.112 2.196 -0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.042 4.545 2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.538 3.967 0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.285 3.280 2.351 1.00 0.00 H new ATOM 1082 N THR A 65 -3.943 0.805 3.891 1.00 0.00 N ATOM 1083 CA THR A 65 -4.980 1.331 4.699 1.00 0.00 C ATOM 1084 C THR A 65 -4.468 1.645 6.076 1.00 0.00 C ATOM 1085 O THR A 65 -3.417 1.146 6.492 1.00 0.00 O ATOM 1086 CB THR A 65 -6.190 0.351 4.754 1.00 0.00 C ATOM 1087 OG1 THR A 65 -7.191 0.800 5.676 1.00 0.00 O ATOM 1088 CG2 THR A 65 -5.757 -1.077 5.093 1.00 0.00 C ATOM 0 H THR A 65 -3.291 0.203 4.394 1.00 0.00 H new ATOM 0 HA THR A 65 -5.329 2.261 4.251 1.00 0.00 H new ATOM 0 HB THR A 65 -6.625 0.340 3.755 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.936 0.164 5.685 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.632 -1.726 5.121 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.063 -1.437 4.334 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.267 -1.087 6.067 1.00 0.00 H new ATOM 1096 N THR A 66 -5.220 2.455 6.774 1.00 0.00 N ATOM 1097 CA THR A 66 -4.978 2.790 8.157 1.00 0.00 C ATOM 1098 C THR A 66 -5.404 1.627 9.065 1.00 0.00 C ATOM 1099 O THR A 66 -5.206 1.653 10.275 1.00 0.00 O ATOM 1100 CB THR A 66 -5.730 4.053 8.549 1.00 0.00 C ATOM 1101 OG1 THR A 66 -6.812 4.292 7.620 1.00 0.00 O ATOM 1102 CG2 THR A 66 -4.823 5.256 8.638 1.00 0.00 C ATOM 0 H THR A 66 -6.044 2.915 6.386 1.00 0.00 H new ATOM 0 HA THR A 66 -3.910 2.971 8.281 1.00 0.00 H new ATOM 0 HB THR A 66 -6.141 3.896 9.546 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.479 4.807 6.856 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.407 6.132 8.921 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.053 5.076 9.388 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.354 5.430 7.670 1.00 0.00 H new ATOM 1110 N THR A 67 -5.970 0.598 8.442 1.00 0.00 N ATOM 1111 CA THR A 67 -6.434 -0.601 9.112 1.00 0.00 C ATOM 1112 C THR A 67 -5.221 -1.536 9.288 1.00 0.00 C ATOM 1113 O THR A 67 -5.282 -2.618 9.874 1.00 0.00 O ATOM 1114 CB THR A 67 -7.544 -1.268 8.233 1.00 0.00 C ATOM 1115 OG1 THR A 67 -8.638 -0.346 8.064 1.00 0.00 O ATOM 1116 CG2 THR A 67 -8.072 -2.565 8.833 1.00 0.00 C ATOM 0 H THR A 67 -6.120 0.579 7.433 1.00 0.00 H new ATOM 0 HA THR A 67 -6.862 -0.380 10.090 1.00 0.00 H new ATOM 0 HB THR A 67 -7.090 -1.514 7.273 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.333 -0.761 7.512 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.839 -2.982 8.180 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.254 -3.279 8.934 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.501 -2.364 9.814 1.00 0.00 H new ATOM 1124 N MET A 68 -4.117 -1.054 8.832 1.00 0.00 N ATOM 1125 CA MET A 68 -2.929 -1.708 8.838 1.00 0.00 C ATOM 1126 C MET A 68 -1.919 -0.658 9.217 1.00 0.00 C ATOM 1127 O MET A 68 -2.216 0.538 9.212 1.00 0.00 O ATOM 1128 CB MET A 68 -2.666 -2.207 7.444 1.00 0.00 C ATOM 1129 CG MET A 68 -1.377 -3.003 7.288 1.00 0.00 C ATOM 1130 SD MET A 68 -0.928 -3.300 5.561 1.00 0.00 S ATOM 1131 CE MET A 68 -0.839 -1.638 4.930 1.00 0.00 C ATOM 0 H MET A 68 -4.056 -0.122 8.423 1.00 0.00 H new ATOM 0 HA MET A 68 -2.899 -2.558 9.519 1.00 0.00 H new ATOM 0 HB2 MET A 68 -3.503 -2.831 7.132 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.635 -1.354 6.767 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.565 -2.468 7.781 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.484 -3.960 7.799 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.435 -1.654 3.918 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.837 -1.200 4.915 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.190 -1.040 5.570 1.00 0.00 H new ATOM 1141 N ASN A 69 -0.808 -1.085 9.554 1.00 0.00 N ATOM 1142 CA ASN A 69 0.267 -0.257 10.005 1.00 0.00 C ATOM 1143 C ASN A 69 1.567 -0.760 9.445 1.00 0.00 C ATOM 1144 O ASN A 69 1.747 -1.968 9.256 1.00 0.00 O ATOM 1145 CB ASN A 69 0.267 -0.345 11.520 1.00 0.00 C ATOM 1146 CG ASN A 69 1.453 0.308 12.216 1.00 0.00 C ATOM 1147 OD1 ASN A 69 2.456 -0.341 12.488 1.00 0.00 O ATOM 1148 ND2 ASN A 69 1.343 1.575 12.520 1.00 0.00 N ATOM 0 H ASN A 69 -0.571 -2.077 9.535 1.00 0.00 H new ATOM 0 HA ASN A 69 0.146 0.775 9.676 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.648 0.114 11.893 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.235 -1.397 11.805 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.107 2.053 12.998 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.494 2.085 12.279 1.00 0.00 H new ATOM 1155 N LEU A 70 2.420 0.164 9.117 1.00 0.00 N ATOM 1156 CA LEU A 70 3.696 -0.090 8.739 1.00 0.00 C ATOM 1157 C LEU A 70 4.574 0.037 9.929 1.00 0.00 C ATOM 1158 O LEU A 70 4.438 0.942 10.760 1.00 0.00 O ATOM 1159 CB LEU A 70 4.102 0.758 7.542 1.00 0.00 C ATOM 1160 CG LEU A 70 3.950 2.292 7.544 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.735 2.900 8.650 1.00 0.00 C ATOM 1162 CD2 LEU A 70 4.539 2.753 6.268 1.00 0.00 C ATOM 0 H LEU A 70 2.188 1.157 9.120 1.00 0.00 H new ATOM 0 HA LEU A 70 3.799 -1.113 8.376 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.153 0.546 7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.538 0.386 6.687 1.00 0.00 H new ATOM 0 HG LEU A 70 2.904 2.572 7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.612 3.983 8.631 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.380 2.511 9.605 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.789 2.652 8.527 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.464 3.839 6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.588 2.458 6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.000 2.302 5.435 1.00 0.00 H new ATOM 1174 N LYS A 71 5.348 -0.877 10.061 1.00 0.00 N ATOM 1175 CA LYS A 71 6.240 -0.960 11.158 1.00 0.00 C ATOM 1176 C LYS A 71 7.648 -1.152 10.629 1.00 0.00 C ATOM 1177 O LYS A 71 7.894 -2.051 9.843 1.00 0.00 O ATOM 1178 CB LYS A 71 5.761 -2.091 12.082 1.00 0.00 C ATOM 1179 CG LYS A 71 6.553 -2.294 13.360 1.00 0.00 C ATOM 1180 CD LYS A 71 5.792 -3.201 14.340 1.00 0.00 C ATOM 1181 CE LYS A 71 5.396 -4.545 13.724 1.00 0.00 C ATOM 1182 NZ LYS A 71 4.635 -5.385 14.671 1.00 0.00 N ATOM 0 H LYS A 71 5.423 -1.653 9.404 1.00 0.00 H new ATOM 0 HA LYS A 71 6.255 -0.046 11.752 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.722 -1.897 12.350 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.776 -3.024 11.518 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.521 -2.737 13.126 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.748 -1.329 13.828 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.412 -3.379 15.219 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.895 -2.685 14.682 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.796 -4.372 12.830 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.293 -5.077 13.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.387 -6.286 14.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.216 -5.573 15.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.766 -4.889 14.954 1.00 0.00 H new ATOM 1196 N PRO A 72 8.569 -0.252 10.963 1.00 0.00 N ATOM 1197 CA PRO A 72 9.936 -0.340 10.485 1.00 0.00 C ATOM 1198 C PRO A 72 10.688 -1.516 11.103 1.00 0.00 C ATOM 1199 O PRO A 72 10.562 -1.794 12.306 1.00 0.00 O ATOM 1200 CB PRO A 72 10.567 0.993 10.896 1.00 0.00 C ATOM 1201 CG PRO A 72 9.724 1.501 12.016 1.00 0.00 C ATOM 1202 CD PRO A 72 8.348 0.929 11.823 1.00 0.00 C ATOM 0 HA PRO A 72 9.976 -0.513 9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.601 0.857 11.213 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.579 1.696 10.063 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.137 1.197 12.978 1.00 0.00 H new ATOM 0 HG3 PRO A 72 9.693 2.591 12.012 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.894 0.651 12.774 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.680 1.648 11.349 1.00 0.00 H new ATOM 1210 N LEU A 73 11.432 -2.222 10.274 1.00 0.00 N ATOM 1211 CA LEU A 73 12.239 -3.305 10.686 1.00 0.00 C ATOM 1212 C LEU A 73 13.436 -2.803 11.430 1.00 0.00 C ATOM 1213 O LEU A 73 13.789 -1.634 11.316 1.00 0.00 O ATOM 1214 CB LEU A 73 12.763 -4.060 9.471 1.00 0.00 C ATOM 1215 CG LEU A 73 12.778 -3.366 8.101 1.00 0.00 C ATOM 1216 CD1 LEU A 73 13.887 -3.938 7.238 1.00 0.00 C ATOM 1217 CD2 LEU A 73 11.464 -3.588 7.395 1.00 0.00 C ATOM 0 H LEU A 73 11.478 -2.036 9.272 1.00 0.00 H new ATOM 0 HA LEU A 73 11.629 -3.952 11.317 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.785 -4.368 9.693 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.171 -4.969 9.371 1.00 0.00 H new ATOM 0 HG LEU A 73 12.942 -2.300 8.259 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.888 -3.439 6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.848 -3.781 7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.723 -5.006 7.095 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.484 -3.092 6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.303 -4.657 7.253 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.654 -3.176 7.996 1.00 0.00 H new ATOM 1229 N SER A 74 14.061 -3.671 12.179 1.00 0.00 N ATOM 1230 CA SER A 74 15.314 -3.339 12.767 1.00 0.00 C ATOM 1231 C SER A 74 16.329 -3.202 11.700 1.00 0.00 C ATOM 1232 O SER A 74 16.467 -4.099 10.850 1.00 0.00 O ATOM 1233 CB SER A 74 15.802 -4.417 13.684 1.00 0.00 C ATOM 1234 OG SER A 74 15.070 -4.474 14.899 1.00 0.00 O ATOM 0 H SER A 74 13.718 -4.608 12.391 1.00 0.00 H new ATOM 0 HA SER A 74 15.172 -2.415 13.327 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.732 -5.379 13.177 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.856 -4.250 13.907 1.00 0.00 H new ATOM 0 HG SER A 74 15.425 -5.194 15.461 1.00 0.00 H new ATOM 1240 N GLY A 75 17.006 -2.107 11.683 1.00 0.00 N ATOM 1241 CA GLY A 75 18.053 -2.010 10.763 1.00 0.00 C ATOM 1242 C GLY A 75 17.551 -1.635 9.380 1.00 0.00 C ATOM 1243 O GLY A 75 18.124 -2.018 8.353 1.00 0.00 O ATOM 0 H GLY A 75 16.851 -1.295 12.281 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.770 -1.264 11.105 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.583 -2.961 10.713 1.00 0.00 H new ATOM 1247 N SER A 76 16.455 -0.917 9.368 1.00 0.00 N ATOM 1248 CA SER A 76 15.864 -0.400 8.208 1.00 0.00 C ATOM 1249 C SER A 76 16.610 0.810 7.740 1.00 0.00 C ATOM 1250 O SER A 76 17.066 1.640 8.537 1.00 0.00 O ATOM 1251 CB SER A 76 14.466 -0.016 8.609 1.00 0.00 C ATOM 1252 OG SER A 76 14.488 0.888 9.705 1.00 0.00 O ATOM 0 H SER A 76 15.945 -0.679 10.218 1.00 0.00 H new ATOM 0 HA SER A 76 15.873 -1.124 7.393 1.00 0.00 H new ATOM 0 HB2 SER A 76 13.953 0.442 7.764 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.902 -0.909 8.879 1.00 0.00 H new ATOM 0 HG SER A 76 14.282 0.404 10.532 1.00 0.00 H new ATOM 1258 N ASP A 77 16.734 0.891 6.451 1.00 0.00 N ATOM 1259 CA ASP A 77 17.339 1.994 5.769 1.00 0.00 C ATOM 1260 C ASP A 77 16.342 3.048 5.961 1.00 0.00 C ATOM 1261 O ASP A 77 16.622 4.130 6.456 1.00 0.00 O ATOM 1262 CB ASP A 77 17.411 1.720 4.252 1.00 0.00 C ATOM 1263 CG ASP A 77 17.388 0.252 3.917 1.00 0.00 C ATOM 1264 OD1 ASP A 77 16.328 -0.371 4.102 1.00 0.00 O ATOM 1265 OD2 ASP A 77 18.420 -0.310 3.529 1.00 0.00 O ATOM 0 H ASP A 77 16.403 0.161 5.820 1.00 0.00 H new ATOM 0 HA ASP A 77 18.346 2.211 6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 77 16.573 2.213 3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.322 2.164 3.851 1.00 0.00 H new ATOM 1270 N ARG A 78 15.141 2.621 5.599 1.00 0.00 N ATOM 1271 CA ARG A 78 13.873 3.273 5.733 1.00 0.00 C ATOM 1272 C ARG A 78 12.822 2.404 5.114 1.00 0.00 C ATOM 1273 O ARG A 78 11.878 2.858 4.500 1.00 0.00 O ATOM 1274 CB ARG A 78 13.822 4.706 5.244 1.00 0.00 C ATOM 1275 CG ARG A 78 14.129 5.716 6.339 1.00 0.00 C ATOM 1276 CD ARG A 78 13.087 5.660 7.453 1.00 0.00 C ATOM 1277 NE ARG A 78 13.574 6.241 8.711 1.00 0.00 N ATOM 1278 CZ ARG A 78 12.814 6.911 9.587 1.00 0.00 C ATOM 1279 NH1 ARG A 78 11.667 7.456 9.194 1.00 0.00 N ATOM 1280 NH2 ARG A 78 13.267 7.148 10.810 1.00 0.00 N ATOM 0 H ARG A 78 15.035 1.708 5.157 1.00 0.00 H new ATOM 0 HA ARG A 78 13.680 3.388 6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.535 4.832 4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.832 4.910 4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.118 5.518 6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.157 6.719 5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.191 6.192 7.134 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.798 4.623 7.624 1.00 0.00 H new ATOM 0 HE ARG A 78 14.563 6.126 8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.365 7.364 8.224 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.089 7.966 9.862 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.193 6.820 11.083 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.689 7.658 11.478 1.00 0.00 H new ATOM 1294 N ALA A 79 12.950 1.163 5.428 1.00 0.00 N ATOM 1295 CA ALA A 79 12.129 0.121 4.911 1.00 0.00 C ATOM 1296 C ALA A 79 11.206 -0.294 6.022 1.00 0.00 C ATOM 1297 O ALA A 79 11.547 -0.153 7.207 1.00 0.00 O ATOM 1298 CB ALA A 79 13.010 -1.047 4.555 1.00 0.00 C ATOM 0 H ALA A 79 13.660 0.830 6.080 1.00 0.00 H new ATOM 0 HA ALA A 79 11.573 0.446 4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.398 -1.856 4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.737 -0.739 3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.533 -1.393 5.446 1.00 0.00 H new ATOM 1304 N TRP A 80 10.083 -0.815 5.675 1.00 0.00 N ATOM 1305 CA TRP A 80 9.047 -1.074 6.602 1.00 0.00 C ATOM 1306 C TRP A 80 8.365 -2.359 6.272 1.00 0.00 C ATOM 1307 O TRP A 80 8.501 -2.882 5.151 1.00 0.00 O ATOM 1308 CB TRP A 80 8.062 0.122 6.672 1.00 0.00 C ATOM 1309 CG TRP A 80 7.977 0.930 5.392 1.00 0.00 C ATOM 1310 CD1 TRP A 80 8.764 1.998 5.063 1.00 0.00 C ATOM 1311 CD2 TRP A 80 7.079 0.751 4.290 1.00 0.00 C ATOM 1312 NE1 TRP A 80 8.433 2.474 3.830 1.00 0.00 N ATOM 1313 CE2 TRP A 80 7.396 1.740 3.332 1.00 0.00 C ATOM 1314 CE3 TRP A 80 6.045 -0.140 4.012 1.00 0.00 C ATOM 1315 CZ2 TRP A 80 6.718 1.857 2.127 1.00 0.00 C ATOM 1316 CZ3 TRP A 80 5.373 -0.018 2.813 1.00 0.00 C ATOM 1317 CH2 TRP A 80 5.712 0.971 1.884 1.00 0.00 C ATOM 0 H TRP A 80 9.857 -1.078 4.716 1.00 0.00 H new ATOM 0 HA TRP A 80 9.477 -1.185 7.597 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.069 -0.253 6.919 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.365 0.781 7.486 1.00 0.00 H new ATOM 0 HD1 TRP A 80 9.540 2.408 5.693 1.00 0.00 H new ATOM 0 HE1 TRP A 80 8.888 3.254 3.355 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.775 -0.910 4.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.978 2.621 1.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 4.568 -0.701 2.587 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.165 1.034 0.955 1.00 0.00 H new ATOM 1328 N MET A 81 7.688 -2.884 7.236 1.00 0.00 N ATOM 1329 CA MET A 81 7.010 -4.057 7.124 1.00 0.00 C ATOM 1330 C MET A 81 5.618 -3.823 7.481 1.00 0.00 C ATOM 1331 O MET A 81 5.293 -3.123 8.439 1.00 0.00 O ATOM 1332 CB MET A 81 7.692 -5.287 7.770 1.00 0.00 C ATOM 1333 CG MET A 81 8.409 -5.112 9.099 1.00 0.00 C ATOM 1334 SD MET A 81 7.350 -5.057 10.536 1.00 0.00 S ATOM 1335 CE MET A 81 8.614 -4.928 11.806 1.00 0.00 C ATOM 0 H MET A 81 7.611 -2.456 8.158 1.00 0.00 H new ATOM 0 HA MET A 81 7.033 -4.377 6.082 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.930 -6.054 7.905 1.00 0.00 H new ATOM 0 HB3 MET A 81 8.415 -5.678 7.054 1.00 0.00 H new ATOM 0 HG2 MET A 81 9.118 -5.931 9.221 1.00 0.00 H new ATOM 0 HG3 MET A 81 8.990 -4.191 9.061 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.219 -5.300 12.751 1.00 0.00 H new ATOM 0 HE2 MET A 81 9.482 -5.521 11.517 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.909 -3.885 11.921 1.00 0.00 H new ATOM 1345 N TRP A 82 4.830 -4.328 6.676 1.00 0.00 N ATOM 1346 CA TRP A 82 3.485 -4.050 6.624 1.00 0.00 C ATOM 1347 C TRP A 82 2.768 -5.336 6.513 1.00 0.00 C ATOM 1348 O TRP A 82 3.076 -6.170 5.618 1.00 0.00 O ATOM 1349 CB TRP A 82 3.155 -3.077 5.443 1.00 0.00 C ATOM 1350 CG TRP A 82 3.894 -3.314 4.088 1.00 0.00 C ATOM 1351 CD1 TRP A 82 5.142 -3.848 3.883 1.00 0.00 C ATOM 1352 CD2 TRP A 82 3.447 -2.937 2.781 1.00 0.00 C ATOM 1353 NE1 TRP A 82 5.461 -3.868 2.572 1.00 0.00 N ATOM 1354 CE2 TRP A 82 4.462 -3.306 1.870 1.00 0.00 C ATOM 1355 CE3 TRP A 82 2.304 -2.341 2.284 1.00 0.00 C ATOM 1356 CZ2 TRP A 82 4.360 -3.096 0.519 1.00 0.00 C ATOM 1357 CZ3 TRP A 82 2.209 -2.125 0.922 1.00 0.00 C ATOM 1358 CH2 TRP A 82 3.236 -2.504 0.057 1.00 0.00 C ATOM 0 H TRP A 82 5.125 -5.005 5.973 1.00 0.00 H new ATOM 0 HA TRP A 82 3.163 -3.534 7.528 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.083 -3.127 5.255 1.00 0.00 H new ATOM 0 HB3 TRP A 82 3.373 -2.061 5.773 1.00 0.00 H new ATOM 0 HD1 TRP A 82 5.787 -4.207 4.671 1.00 0.00 H new ATOM 0 HE1 TRP A 82 6.321 -4.248 2.177 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.502 -2.050 2.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 5.151 -3.394 -0.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 1.324 -1.654 0.520 1.00 0.00 H new ATOM 0 HH2 TRP A 82 3.131 -2.321 -1.002 1.00 0.00 H new ATOM 1369 N LEU A 83 1.854 -5.543 7.366 1.00 0.00 N ATOM 1370 CA LEU A 83 1.224 -6.811 7.386 1.00 0.00 C ATOM 1371 C LEU A 83 -0.126 -6.759 6.725 1.00 0.00 C ATOM 1372 O LEU A 83 -0.986 -6.001 7.116 1.00 0.00 O ATOM 1373 CB LEU A 83 1.084 -7.377 8.806 1.00 0.00 C ATOM 1374 CG LEU A 83 0.450 -6.449 9.882 1.00 0.00 C ATOM 1375 CD1 LEU A 83 -0.120 -7.285 11.013 1.00 0.00 C ATOM 1376 CD2 LEU A 83 1.504 -5.503 10.471 1.00 0.00 C ATOM 0 H LEU A 83 1.521 -4.869 8.055 1.00 0.00 H new ATOM 0 HA LEU A 83 1.873 -7.481 6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.486 -8.287 8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.075 -7.668 9.153 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.338 -5.868 9.402 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.562 -6.629 11.763 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.885 -7.955 10.620 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.677 -7.872 11.469 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.040 -4.863 11.221 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.299 -6.087 10.934 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.923 -4.886 9.677 1.00 0.00 H new ATOM 1388 N ALA A 84 -0.312 -7.610 5.784 1.00 0.00 N ATOM 1389 CA ALA A 84 -1.540 -7.652 5.025 1.00 0.00 C ATOM 1390 C ALA A 84 -1.851 -9.044 4.648 1.00 0.00 C ATOM 1391 O ALA A 84 -0.971 -9.918 4.696 1.00 0.00 O ATOM 1392 CB ALA A 84 -1.457 -6.811 3.754 1.00 0.00 C ATOM 0 H ALA A 84 0.378 -8.308 5.505 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.324 -7.241 5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.402 -6.872 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.256 -5.773 4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.653 -7.187 3.121 1.00 0.00 H new ATOM 1398 N SER A 85 -3.060 -9.280 4.291 1.00 0.00 N ATOM 1399 CA SER A 85 -3.369 -10.428 3.634 1.00 0.00 C ATOM 1400 C SER A 85 -3.159 -10.201 2.217 1.00 0.00 C ATOM 1401 O SER A 85 -3.888 -9.480 1.534 1.00 0.00 O ATOM 1402 CB SER A 85 -4.710 -10.865 3.963 1.00 0.00 C ATOM 1403 OG SER A 85 -5.427 -9.834 4.657 1.00 0.00 O ATOM 0 H SER A 85 -3.848 -8.655 4.463 1.00 0.00 H new ATOM 0 HA SER A 85 -2.721 -11.247 3.946 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.243 -11.134 3.051 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.664 -11.761 4.582 1.00 0.00 H new ATOM 0 HG SER A 85 -6.331 -10.149 4.868 1.00 0.00 H new ATOM 1409 N ASP A 86 -2.115 -10.765 1.802 1.00 0.00 N ATOM 1410 CA ASP A 86 -1.656 -10.566 0.565 1.00 0.00 C ATOM 1411 C ASP A 86 -2.192 -11.638 -0.351 1.00 0.00 C ATOM 1412 O ASP A 86 -2.021 -12.840 -0.106 1.00 0.00 O ATOM 1413 CB ASP A 86 -0.121 -10.487 0.547 1.00 0.00 C ATOM 1414 CG ASP A 86 0.618 -11.842 0.398 1.00 0.00 C ATOM 1415 OD1 ASP A 86 0.838 -12.571 1.392 1.00 0.00 O ATOM 1416 OD2 ASP A 86 1.035 -12.169 -0.728 1.00 0.00 O ATOM 0 H ASP A 86 -1.551 -11.403 2.363 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.012 -9.603 0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.182 -9.836 -0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.211 -10.012 1.470 1.00 0.00 H new ATOM 1421 N PHE A 87 -2.897 -11.206 -1.354 1.00 0.00 N ATOM 1422 CA PHE A 87 -3.398 -11.990 -2.339 1.00 0.00 C ATOM 1423 C PHE A 87 -3.897 -11.100 -3.419 1.00 0.00 C ATOM 1424 O PHE A 87 -4.812 -10.313 -3.219 1.00 0.00 O ATOM 1425 CB PHE A 87 -4.458 -12.934 -1.822 1.00 0.00 C ATOM 1426 CG PHE A 87 -5.702 -12.370 -1.157 1.00 0.00 C ATOM 1427 CD1 PHE A 87 -5.720 -12.093 0.200 1.00 0.00 C ATOM 1428 CD2 PHE A 87 -6.866 -12.165 -1.889 1.00 0.00 C ATOM 1429 CE1 PHE A 87 -6.865 -11.622 0.809 1.00 0.00 C ATOM 1430 CE2 PHE A 87 -8.009 -11.687 -1.285 1.00 0.00 C ATOM 1431 CZ PHE A 87 -8.009 -11.417 0.066 1.00 0.00 C ATOM 0 H PHE A 87 -3.129 -10.220 -1.474 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.617 -12.636 -2.739 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.786 -13.548 -2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.979 -13.602 -1.106 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.827 -12.247 0.788 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.875 -12.384 -2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.866 -11.414 1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.903 -11.524 -1.869 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.904 -11.045 0.543 1.00 0.00 H new ATOM 1441 N SER A 88 -3.193 -11.097 -4.505 1.00 0.00 N ATOM 1442 CA SER A 88 -3.644 -10.317 -5.655 1.00 0.00 C ATOM 1443 C SER A 88 -4.907 -10.976 -6.161 1.00 0.00 C ATOM 1444 O SER A 88 -5.887 -10.315 -6.510 1.00 0.00 O ATOM 1445 CB SER A 88 -2.562 -10.295 -6.737 1.00 0.00 C ATOM 1446 OG SER A 88 -2.882 -9.408 -7.810 1.00 0.00 O ATOM 0 H SER A 88 -2.320 -11.607 -4.638 1.00 0.00 H new ATOM 0 HA SER A 88 -3.840 -9.281 -5.379 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.613 -9.995 -6.292 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.425 -11.302 -7.131 1.00 0.00 H new ATOM 0 HG SER A 88 -2.928 -9.913 -8.649 1.00 0.00 H new ATOM 1452 N ASP A 89 -4.834 -12.304 -6.111 1.00 0.00 N ATOM 1453 CA ASP A 89 -5.856 -13.274 -6.381 1.00 0.00 C ATOM 1454 C ASP A 89 -5.101 -14.548 -6.658 1.00 0.00 C ATOM 1455 O ASP A 89 -5.380 -15.296 -7.594 1.00 0.00 O ATOM 1456 CB ASP A 89 -6.672 -12.907 -7.581 1.00 0.00 C ATOM 1457 CG ASP A 89 -7.861 -13.835 -7.773 1.00 0.00 C ATOM 1458 OD1 ASP A 89 -8.632 -14.043 -6.806 1.00 0.00 O ATOM 1459 OD2 ASP A 89 -8.046 -14.370 -8.880 1.00 0.00 O ATOM 0 H ASP A 89 -3.959 -12.760 -5.852 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.554 -13.353 -5.548 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.027 -11.882 -7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.042 -12.938 -8.470 1.00 0.00 H new ATOM 1464 N GLY A 90 -4.134 -14.810 -5.827 1.00 0.00 N ATOM 1465 CA GLY A 90 -3.314 -15.924 -6.053 1.00 0.00 C ATOM 1466 C GLY A 90 -3.516 -16.835 -4.985 1.00 0.00 C ATOM 1467 O GLY A 90 -4.044 -17.945 -5.156 1.00 0.00 O ATOM 0 H GLY A 90 -3.909 -14.261 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.560 -16.392 -7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.268 -15.624 -6.106 1.00 0.00 H new ATOM 1471 N ASP A 91 -3.203 -16.350 -3.875 1.00 0.00 N ATOM 1472 CA ASP A 91 -3.338 -17.121 -2.677 1.00 0.00 C ATOM 1473 C ASP A 91 -3.549 -16.244 -1.491 1.00 0.00 C ATOM 1474 O ASP A 91 -2.741 -15.365 -1.212 1.00 0.00 O ATOM 1475 CB ASP A 91 -2.167 -18.087 -2.523 1.00 0.00 C ATOM 1476 CG ASP A 91 -0.810 -17.484 -2.185 1.00 0.00 C ATOM 1477 OD1 ASP A 91 -0.038 -17.193 -3.113 1.00 0.00 O ATOM 1478 OD2 ASP A 91 -0.454 -17.389 -0.982 1.00 0.00 O ATOM 0 H ASP A 91 -2.842 -15.406 -3.739 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.235 -17.736 -2.751 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.421 -18.805 -1.744 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.066 -18.647 -3.453 1.00 0.00 H new ATOM 1483 N ALA A 92 -4.676 -16.459 -0.822 1.00 0.00 N ATOM 1484 CA ALA A 92 -5.083 -15.652 0.306 1.00 0.00 C ATOM 1485 C ALA A 92 -4.262 -16.005 1.496 1.00 0.00 C ATOM 1486 O ALA A 92 -4.465 -17.045 2.144 1.00 0.00 O ATOM 1487 CB ALA A 92 -6.564 -15.842 0.599 1.00 0.00 C ATOM 0 H ALA A 92 -5.332 -17.205 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.923 -14.601 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.848 -15.225 1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.148 -15.547 -0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.758 -16.890 0.828 1.00 0.00 H new ATOM 1493 N LYS A 93 -3.299 -15.199 1.744 1.00 0.00 N ATOM 1494 CA LYS A 93 -2.388 -15.446 2.837 1.00 0.00 C ATOM 1495 C LYS A 93 -2.148 -14.171 3.578 1.00 0.00 C ATOM 1496 O LYS A 93 -2.107 -13.138 2.991 1.00 0.00 O ATOM 1497 CB LYS A 93 -1.110 -15.864 2.242 1.00 0.00 C ATOM 1498 CG LYS A 93 -0.113 -16.595 3.101 1.00 0.00 C ATOM 1499 CD LYS A 93 1.008 -17.231 2.244 1.00 0.00 C ATOM 1500 CE LYS A 93 1.832 -16.232 1.380 1.00 0.00 C ATOM 1501 NZ LYS A 93 1.061 -15.557 0.282 1.00 0.00 N ATOM 0 H LYS A 93 -3.106 -14.351 1.210 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.794 -16.198 3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.337 -16.500 1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.619 -14.971 1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.325 -15.904 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.622 -17.371 3.672 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.691 -17.763 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.561 -17.974 1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.249 -15.466 2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.673 -16.766 0.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.670 -15.448 -0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.233 -16.135 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.745 -14.620 0.605 1.00 0.00 H new ATOM 1515 N LEU A 94 -2.021 -14.248 4.836 1.00 0.00 N ATOM 1516 CA LEU A 94 -1.669 -13.077 5.617 1.00 0.00 C ATOM 1517 C LEU A 94 -0.273 -13.208 6.089 1.00 0.00 C ATOM 1518 O LEU A 94 0.097 -14.220 6.696 1.00 0.00 O ATOM 1519 CB LEU A 94 -2.639 -12.689 6.744 1.00 0.00 C ATOM 1520 CG LEU A 94 -2.752 -13.609 7.978 1.00 0.00 C ATOM 1521 CD1 LEU A 94 -3.635 -12.955 9.016 1.00 0.00 C ATOM 1522 CD2 LEU A 94 -3.321 -14.966 7.618 1.00 0.00 C ATOM 0 H LEU A 94 -2.150 -15.102 5.378 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.761 -12.229 4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.355 -11.697 7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.634 -12.599 6.307 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.748 -13.760 8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.715 -13.605 9.887 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.201 -12.000 9.314 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.627 -12.787 8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.384 -15.583 8.514 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.317 -14.842 7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.672 -15.451 6.889 1.00 0.00 H new ATOM 1534 N GLU A 95 0.519 -12.270 5.777 1.00 0.00 N ATOM 1535 CA GLU A 95 1.829 -12.323 6.064 1.00 0.00 C ATOM 1536 C GLU A 95 2.240 -10.960 6.359 1.00 0.00 C ATOM 1537 O GLU A 95 1.556 -9.983 6.022 1.00 0.00 O ATOM 1538 CB GLU A 95 2.547 -12.990 4.906 1.00 0.00 C ATOM 1539 CG GLU A 95 3.799 -13.758 5.277 1.00 0.00 C ATOM 1540 CD GLU A 95 4.145 -14.762 4.209 1.00 0.00 C ATOM 1541 OE1 GLU A 95 4.831 -14.416 3.253 1.00 0.00 O ATOM 1542 OE2 GLU A 95 3.706 -15.915 4.300 1.00 0.00 O ATOM 0 H GLU A 95 0.229 -11.420 5.294 1.00 0.00 H new ATOM 0 HA GLU A 95 2.077 -12.928 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.854 -13.673 4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.812 -12.226 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.629 -13.065 5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.650 -14.269 6.228 1.00 0.00 H new ATOM 1549 N GLN A 96 3.293 -10.877 6.959 1.00 0.00 N ATOM 1550 CA GLN A 96 3.815 -9.697 7.298 1.00 0.00 C ATOM 1551 C GLN A 96 4.973 -9.622 6.397 1.00 0.00 C ATOM 1552 O GLN A 96 5.832 -10.470 6.405 1.00 0.00 O ATOM 1553 CB GLN A 96 4.196 -9.666 8.769 1.00 0.00 C ATOM 1554 CG GLN A 96 4.726 -8.331 9.273 1.00 0.00 C ATOM 1555 CD GLN A 96 4.922 -8.348 10.774 1.00 0.00 C ATOM 1556 OE1 GLN A 96 4.228 -9.051 11.494 1.00 0.00 O ATOM 1557 NE2 GLN A 96 5.830 -7.570 11.265 1.00 0.00 N ATOM 0 H GLN A 96 3.850 -11.682 7.245 1.00 0.00 H new ATOM 0 HA GLN A 96 3.139 -8.848 7.193 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.322 -9.938 9.360 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.952 -10.430 8.948 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.673 -8.105 8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 96 4.030 -7.536 9.004 1.00 0.00 H new ATOM 0 HE21 GLN A 96 6.397 -6.993 10.644 1.00 0.00 H new ATOM 0 HE22 GLN A 96 5.980 -7.534 12.273 1.00 0.00 H new ATOM 1566 N LEU A 97 4.922 -8.735 5.567 1.00 0.00 N ATOM 1567 CA LEU A 97 5.864 -8.606 4.582 1.00 0.00 C ATOM 1568 C LEU A 97 6.570 -7.310 4.715 1.00 0.00 C ATOM 1569 O LEU A 97 6.013 -6.366 5.239 1.00 0.00 O ATOM 1570 CB LEU A 97 5.111 -8.674 3.296 1.00 0.00 C ATOM 1571 CG LEU A 97 4.326 -9.971 3.054 1.00 0.00 C ATOM 1572 CD1 LEU A 97 3.597 -9.931 1.747 1.00 0.00 C ATOM 1573 CD2 LEU A 97 5.235 -11.172 3.113 1.00 0.00 C ATOM 0 H LEU A 97 4.187 -8.028 5.538 1.00 0.00 H new ATOM 0 HA LEU A 97 6.624 -9.385 4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.414 -7.837 3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.816 -8.539 2.476 1.00 0.00 H new ATOM 0 HG LEU A 97 3.587 -10.059 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.051 -10.864 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.895 -9.097 1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.313 -9.803 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.654 -12.077 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.006 -11.083 2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.704 -11.226 4.096 1.00 0.00 H new ATOM 1585 N ALA A 98 7.775 -7.266 4.273 1.00 0.00 N ATOM 1586 CA ALA A 98 8.530 -6.053 4.292 1.00 0.00 C ATOM 1587 C ALA A 98 8.838 -5.666 2.889 1.00 0.00 C ATOM 1588 O ALA A 98 8.718 -6.492 1.982 1.00 0.00 O ATOM 1589 CB ALA A 98 9.821 -6.181 5.103 1.00 0.00 C ATOM 0 H ALA A 98 8.272 -8.068 3.886 1.00 0.00 H new ATOM 0 HA ALA A 98 7.932 -5.283 4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.357 -5.232 5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.579 -6.442 6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.448 -6.960 4.669 1.00 0.00 H new ATOM 1595 N ALA A 99 9.184 -4.445 2.694 1.00 0.00 N ATOM 1596 CA ALA A 99 9.597 -3.978 1.413 1.00 0.00 C ATOM 1597 C ALA A 99 10.565 -2.867 1.609 1.00 0.00 C ATOM 1598 O ALA A 99 10.417 -2.076 2.549 1.00 0.00 O ATOM 1599 CB ALA A 99 8.411 -3.504 0.578 1.00 0.00 C ATOM 0 H ALA A 99 9.190 -3.732 3.424 1.00 0.00 H new ATOM 0 HA ALA A 99 10.065 -4.799 0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.765 -3.155 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.714 -4.330 0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.905 -2.688 1.094 1.00 0.00 H new ATOM 1605 N LYS A 100 11.571 -2.813 0.789 1.00 0.00 N ATOM 1606 CA LYS A 100 12.465 -1.788 0.842 1.00 0.00 C ATOM 1607 C LYS A 100 12.702 -1.303 -0.493 1.00 0.00 C ATOM 1608 O LYS A 100 12.656 -2.041 -1.494 1.00 0.00 O ATOM 1609 CB LYS A 100 13.801 -2.094 1.491 1.00 0.00 C ATOM 1610 CG LYS A 100 14.760 -3.012 0.741 1.00 0.00 C ATOM 1611 CD LYS A 100 16.183 -2.865 1.284 1.00 0.00 C ATOM 1612 CE LYS A 100 16.295 -3.245 2.755 1.00 0.00 C ATOM 1613 NZ LYS A 100 17.634 -2.937 3.301 1.00 0.00 N ATOM 0 H LYS A 100 11.762 -3.509 0.068 1.00 0.00 H new ATOM 0 HA LYS A 100 11.998 -1.045 1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.312 -1.148 1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 100 13.606 -2.538 2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 100 14.433 -4.047 0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.744 -2.772 -0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 100 16.857 -3.491 0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 100 16.512 -1.834 1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.537 -2.710 3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 100 16.091 -4.309 2.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.617 -3.033 4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 18.331 -3.598 2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 17.897 -1.963 3.048 1.00 0.00 H new ATOM 1627 N PHE A 101 12.884 -0.110 -0.502 1.00 0.00 N ATOM 1628 CA PHE A 101 13.268 0.611 -1.644 1.00 0.00 C ATOM 1629 C PHE A 101 14.777 0.742 -1.587 1.00 0.00 C ATOM 1630 O PHE A 101 15.356 0.576 -0.514 1.00 0.00 O ATOM 1631 CB PHE A 101 12.558 1.949 -1.665 1.00 0.00 C ATOM 1632 CG PHE A 101 11.058 1.812 -1.815 1.00 0.00 C ATOM 1633 CD1 PHE A 101 10.240 1.652 -0.706 1.00 0.00 C ATOM 1634 CD2 PHE A 101 10.473 1.828 -3.073 1.00 0.00 C ATOM 1635 CE1 PHE A 101 8.875 1.509 -0.849 1.00 0.00 C ATOM 1636 CE2 PHE A 101 9.109 1.689 -3.221 1.00 0.00 C ATOM 1637 CZ PHE A 101 8.309 1.528 -2.107 1.00 0.00 C ATOM 0 H PHE A 101 12.772 0.473 0.327 1.00 0.00 H new ATOM 0 HA PHE A 101 12.988 0.107 -2.569 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.779 2.488 -0.744 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.948 2.550 -2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 101 10.677 1.639 0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 101 11.094 1.951 -3.948 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.250 1.382 0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.667 1.706 -4.206 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.241 1.417 -2.221 1.00 0.00 H new ATOM 1647 N LYS A 102 15.391 1.012 -2.717 1.00 0.00 N ATOM 1648 CA LYS A 102 16.858 1.020 -2.860 1.00 0.00 C ATOM 1649 C LYS A 102 17.585 1.864 -1.816 1.00 0.00 C ATOM 1650 O LYS A 102 18.545 1.411 -1.194 1.00 0.00 O ATOM 1651 CB LYS A 102 17.284 1.481 -4.257 1.00 0.00 C ATOM 1652 CG LYS A 102 16.995 0.542 -5.398 1.00 0.00 C ATOM 1653 CD LYS A 102 15.530 0.488 -5.765 1.00 0.00 C ATOM 1654 CE LYS A 102 15.333 -0.388 -6.978 1.00 0.00 C ATOM 1655 NZ LYS A 102 16.124 0.087 -8.150 1.00 0.00 N ATOM 0 H LYS A 102 14.895 1.236 -3.580 1.00 0.00 H new ATOM 0 HA LYS A 102 17.153 -0.017 -2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.793 2.431 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.357 1.674 -4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.571 0.852 -6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.334 -0.459 -5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.951 0.099 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.160 1.493 -5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 102 15.623 -1.411 -6.737 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.275 -0.410 -7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.701 -0.280 -9.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.120 1.127 -8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.103 -0.254 -8.069 1.00 0.00 H new ATOM 1669 N THR A 103 17.145 3.062 -1.632 1.00 0.00 N ATOM 1670 CA THR A 103 17.790 3.964 -0.721 1.00 0.00 C ATOM 1671 C THR A 103 16.752 4.442 0.253 1.00 0.00 C ATOM 1672 O THR A 103 15.559 4.350 -0.064 1.00 0.00 O ATOM 1673 CB THR A 103 18.303 5.194 -1.500 1.00 0.00 C ATOM 1674 OG1 THR A 103 17.186 5.823 -2.144 1.00 0.00 O ATOM 1675 CG2 THR A 103 19.321 4.798 -2.558 1.00 0.00 C ATOM 0 H THR A 103 16.329 3.450 -2.105 1.00 0.00 H new ATOM 0 HA THR A 103 18.618 3.465 -0.218 1.00 0.00 H new ATOM 0 HB THR A 103 18.787 5.873 -0.798 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.507 6.389 -2.877 1.00 0.00 H new ATOM 0 HG21 THR A 103 19.661 5.688 -3.087 1.00 0.00 H new ATOM 0 HG22 THR A 103 20.172 4.313 -2.080 1.00 0.00 H new ATOM 0 HG23 THR A 103 18.861 4.109 -3.266 1.00 0.00 H new ATOM 1683 N PRO A 104 17.132 4.969 1.450 1.00 0.00 N ATOM 1684 CA PRO A 104 16.175 5.600 2.353 1.00 0.00 C ATOM 1685 C PRO A 104 15.497 6.778 1.734 1.00 0.00 C ATOM 1686 O PRO A 104 14.639 7.259 2.242 1.00 0.00 O ATOM 1687 CB PRO A 104 16.992 6.102 3.508 1.00 0.00 C ATOM 1688 CG PRO A 104 18.192 5.224 3.520 1.00 0.00 C ATOM 1689 CD PRO A 104 18.477 4.910 2.062 1.00 0.00 C ATOM 0 HA PRO A 104 15.401 4.883 2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 104 17.266 7.149 3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.440 6.033 4.445 1.00 0.00 H new ATOM 0 HG2 PRO A 104 19.040 5.724 3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.007 4.313 4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 104 19.157 5.636 1.617 1.00 0.00 H new ATOM 0 HD3 PRO A 104 18.935 3.928 1.941 1.00 0.00 H new ATOM 1697 N GLU A 105 15.972 7.237 0.675 1.00 0.00 N ATOM 1698 CA GLU A 105 15.365 8.320 -0.038 1.00 0.00 C ATOM 1699 C GLU A 105 14.084 7.802 -0.655 1.00 0.00 C ATOM 1700 O GLU A 105 13.026 8.385 -0.532 1.00 0.00 O ATOM 1701 CB GLU A 105 16.312 8.875 -1.105 1.00 0.00 C ATOM 1702 CG GLU A 105 15.828 10.163 -1.747 1.00 0.00 C ATOM 1703 CD GLU A 105 15.632 11.264 -0.730 1.00 0.00 C ATOM 1704 OE1 GLU A 105 16.628 11.834 -0.261 1.00 0.00 O ATOM 1705 OE2 GLU A 105 14.474 11.592 -0.398 1.00 0.00 O ATOM 0 H GLU A 105 16.822 6.879 0.239 1.00 0.00 H new ATOM 0 HA GLU A 105 15.146 9.144 0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 105 17.289 9.050 -0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.449 8.123 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.549 10.487 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.888 9.978 -2.267 1.00 0.00 H new ATOM 1712 N LEU A 106 14.209 6.651 -1.276 1.00 0.00 N ATOM 1713 CA LEU A 106 13.124 6.015 -1.956 1.00 0.00 C ATOM 1714 C LEU A 106 12.217 5.422 -0.909 1.00 0.00 C ATOM 1715 O LEU A 106 11.006 5.585 -0.920 1.00 0.00 O ATOM 1716 CB LEU A 106 13.698 4.965 -2.915 1.00 0.00 C ATOM 1717 CG LEU A 106 12.762 4.459 -4.031 1.00 0.00 C ATOM 1718 CD1 LEU A 106 12.257 5.617 -4.886 1.00 0.00 C ATOM 1719 CD2 LEU A 106 13.488 3.455 -4.911 1.00 0.00 C ATOM 0 H LEU A 106 15.084 6.129 -1.318 1.00 0.00 H new ATOM 0 HA LEU A 106 12.539 6.712 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.590 5.383 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.020 4.106 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 106 11.907 3.975 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.599 5.234 -5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.707 6.319 -4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.104 6.127 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.816 3.106 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.358 3.930 -5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.811 2.608 -4.306 1.00 0.00 H new ATOM 1731 N ALA A 107 12.859 4.805 0.031 1.00 0.00 N ATOM 1732 CA ALA A 107 12.239 4.162 1.152 1.00 0.00 C ATOM 1733 C ALA A 107 11.571 5.184 2.077 1.00 0.00 C ATOM 1734 O ALA A 107 10.410 4.991 2.470 1.00 0.00 O ATOM 1735 CB ALA A 107 13.316 3.376 1.872 1.00 0.00 C ATOM 0 H ALA A 107 13.876 4.731 0.041 1.00 0.00 H new ATOM 0 HA ALA A 107 11.446 3.492 0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 107 12.882 2.870 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.741 2.636 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 107 14.100 4.055 2.206 1.00 0.00 H new ATOM 1741 N GLU A 108 12.264 6.295 2.391 1.00 0.00 N ATOM 1742 CA GLU A 108 11.680 7.281 3.350 1.00 0.00 C ATOM 1743 C GLU A 108 10.481 7.992 2.743 1.00 0.00 C ATOM 1744 O GLU A 108 9.442 8.108 3.380 1.00 0.00 O ATOM 1745 CB GLU A 108 12.717 8.316 3.844 1.00 0.00 C ATOM 1746 CG GLU A 108 12.207 9.324 4.871 1.00 0.00 C ATOM 1747 CD GLU A 108 12.076 8.773 6.253 1.00 0.00 C ATOM 1748 OE1 GLU A 108 11.056 8.141 6.575 1.00 0.00 O ATOM 1749 OE2 GLU A 108 13.000 8.987 7.062 1.00 0.00 O ATOM 0 H GLU A 108 13.184 6.535 2.022 1.00 0.00 H new ATOM 0 HA GLU A 108 11.352 6.708 4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.561 7.779 4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.096 8.864 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.885 10.177 4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.236 9.697 4.547 1.00 0.00 H new ATOM 1756 N GLU A 109 10.626 8.440 1.509 1.00 0.00 N ATOM 1757 CA GLU A 109 9.554 9.178 0.815 1.00 0.00 C ATOM 1758 C GLU A 109 8.288 8.352 0.699 1.00 0.00 C ATOM 1759 O GLU A 109 7.180 8.850 0.955 1.00 0.00 O ATOM 1760 CB GLU A 109 9.985 9.641 -0.572 1.00 0.00 C ATOM 1761 CG GLU A 109 11.050 10.722 -0.588 1.00 0.00 C ATOM 1762 CD GLU A 109 10.602 12.010 0.047 1.00 0.00 C ATOM 1763 OE1 GLU A 109 9.753 12.710 -0.541 1.00 0.00 O ATOM 1764 OE2 GLU A 109 11.105 12.371 1.125 1.00 0.00 O ATOM 0 H GLU A 109 11.473 8.312 0.955 1.00 0.00 H new ATOM 0 HA GLU A 109 9.347 10.057 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 109 10.356 8.779 -1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 109 9.108 10.009 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.935 10.357 -0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.344 10.917 -1.619 1.00 0.00 H new ATOM 1771 N PHE A 110 8.443 7.090 0.343 1.00 0.00 N ATOM 1772 CA PHE A 110 7.352 6.220 0.205 1.00 0.00 C ATOM 1773 C PHE A 110 6.704 5.887 1.537 1.00 0.00 C ATOM 1774 O PHE A 110 5.509 5.728 1.589 1.00 0.00 O ATOM 1775 CB PHE A 110 7.767 4.992 -0.558 1.00 0.00 C ATOM 1776 CG PHE A 110 7.618 5.125 -2.052 1.00 0.00 C ATOM 1777 CD1 PHE A 110 8.634 5.654 -2.833 1.00 0.00 C ATOM 1778 CD2 PHE A 110 6.449 4.717 -2.677 1.00 0.00 C ATOM 1779 CE1 PHE A 110 8.489 5.772 -4.201 1.00 0.00 C ATOM 1780 CE2 PHE A 110 6.298 4.833 -4.045 1.00 0.00 C ATOM 1781 CZ PHE A 110 7.321 5.360 -4.807 1.00 0.00 C ATOM 0 H PHE A 110 9.348 6.663 0.146 1.00 0.00 H new ATOM 0 HA PHE A 110 6.581 6.731 -0.371 1.00 0.00 H new ATOM 0 HB2 PHE A 110 8.807 4.765 -0.325 1.00 0.00 H new ATOM 0 HB3 PHE A 110 7.172 4.145 -0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 110 9.552 5.978 -2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 110 5.646 4.303 -2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 110 9.290 6.187 -4.796 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.381 4.512 -4.517 1.00 0.00 H new ATOM 0 HZ PHE A 110 7.207 5.450 -5.877 1.00 0.00 H new ATOM 1791 N LYS A 111 7.500 5.819 2.607 1.00 0.00 N ATOM 1792 CA LYS A 111 6.982 5.545 3.967 1.00 0.00 C ATOM 1793 C LYS A 111 5.970 6.591 4.350 1.00 0.00 C ATOM 1794 O LYS A 111 4.832 6.294 4.718 1.00 0.00 O ATOM 1795 CB LYS A 111 8.123 5.652 4.968 1.00 0.00 C ATOM 1796 CG LYS A 111 7.728 5.359 6.414 1.00 0.00 C ATOM 1797 CD LYS A 111 8.910 5.497 7.356 1.00 0.00 C ATOM 1798 CE LYS A 111 8.472 5.439 8.816 1.00 0.00 C ATOM 1799 NZ LYS A 111 7.591 6.579 9.186 1.00 0.00 N ATOM 0 H LYS A 111 8.511 5.949 2.566 1.00 0.00 H new ATOM 0 HA LYS A 111 6.535 4.551 3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 111 8.913 4.961 4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 111 8.542 6.657 4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 111 6.936 6.042 6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 111 7.323 4.350 6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 111 9.628 4.701 7.159 1.00 0.00 H new ATOM 0 HD3 LYS A 111 9.420 6.441 7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 111 7.946 4.502 8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 111 9.353 5.440 9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 7.539 6.655 10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 7.980 7.460 8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 6.638 6.420 8.802 1.00 0.00 H new ATOM 1813 N GLN A 112 6.417 7.805 4.234 1.00 0.00 N ATOM 1814 CA GLN A 112 5.634 9.008 4.561 1.00 0.00 C ATOM 1815 C GLN A 112 4.335 9.014 3.797 1.00 0.00 C ATOM 1816 O GLN A 112 3.247 9.151 4.365 1.00 0.00 O ATOM 1817 CB GLN A 112 6.343 10.192 4.021 1.00 0.00 C ATOM 1818 CG GLN A 112 7.774 10.385 4.438 1.00 0.00 C ATOM 1819 CD GLN A 112 8.419 11.502 3.648 1.00 0.00 C ATOM 1820 OE1 GLN A 112 7.756 12.470 3.251 1.00 0.00 O ATOM 1821 NE2 GLN A 112 9.678 11.363 3.372 1.00 0.00 N ATOM 0 H GLN A 112 7.358 8.016 3.902 1.00 0.00 H new ATOM 0 HA GLN A 112 5.487 9.022 5.641 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.313 10.137 2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 112 5.784 11.082 4.311 1.00 0.00 H new ATOM 0 HG2 GLN A 112 7.819 10.614 5.503 1.00 0.00 H new ATOM 0 HG3 GLN A 112 8.329 9.459 4.287 1.00 0.00 H new ATOM 0 HE21 GLN A 112 10.189 10.551 3.718 1.00 0.00 H new ATOM 0 HE22 GLN A 112 10.157 12.066 2.809 1.00 0.00 H new ATOM 1830 N LYS A 113 4.482 8.829 2.488 1.00 0.00 N ATOM 1831 CA LYS A 113 3.397 8.913 1.549 1.00 0.00 C ATOM 1832 C LYS A 113 2.415 7.843 1.869 1.00 0.00 C ATOM 1833 O LYS A 113 1.217 8.047 1.833 1.00 0.00 O ATOM 1834 CB LYS A 113 3.939 8.675 0.146 1.00 0.00 C ATOM 1835 CG LYS A 113 3.179 9.398 -0.962 1.00 0.00 C ATOM 1836 CD LYS A 113 3.318 10.919 -0.842 1.00 0.00 C ATOM 1837 CE LYS A 113 4.776 11.371 -0.978 1.00 0.00 C ATOM 1838 NZ LYS A 113 4.932 12.823 -0.780 1.00 0.00 N ATOM 0 H LYS A 113 5.380 8.613 2.055 1.00 0.00 H new ATOM 0 HA LYS A 113 2.924 9.894 1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 113 4.983 8.988 0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.922 7.605 -0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 113 3.554 9.073 -1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 113 2.125 9.124 -0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 113 2.715 11.401 -1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 113 2.925 11.245 0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.388 10.839 -0.250 1.00 0.00 H new ATOM 0 HE3 LYS A 113 5.148 11.099 -1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 5.934 13.081 -0.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 4.369 13.333 -1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 4.603 13.081 0.172 1.00 0.00 H new ATOM 1852 N PHE A 114 2.960 6.733 2.248 1.00 0.00 N ATOM 1853 CA PHE A 114 2.190 5.538 2.540 1.00 0.00 C ATOM 1854 C PHE A 114 1.269 5.768 3.733 1.00 0.00 C ATOM 1855 O PHE A 114 0.064 5.544 3.643 1.00 0.00 O ATOM 1856 CB PHE A 114 3.138 4.369 2.819 1.00 0.00 C ATOM 1857 CG PHE A 114 2.475 3.058 3.061 1.00 0.00 C ATOM 1858 CD1 PHE A 114 2.009 2.726 4.305 1.00 0.00 C ATOM 1859 CD2 PHE A 114 2.338 2.161 2.054 1.00 0.00 C ATOM 1860 CE1 PHE A 114 1.416 1.521 4.543 1.00 0.00 C ATOM 1861 CE2 PHE A 114 1.744 0.953 2.281 1.00 0.00 C ATOM 1862 CZ PHE A 114 1.285 0.636 3.527 1.00 0.00 C ATOM 0 H PHE A 114 3.966 6.615 2.369 1.00 0.00 H new ATOM 0 HA PHE A 114 1.572 5.299 1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 114 3.818 4.264 1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 114 3.747 4.616 3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 114 2.113 3.433 5.115 1.00 0.00 H new ATOM 0 HD2 PHE A 114 2.701 2.403 1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 114 1.055 1.276 5.531 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.637 0.246 1.472 1.00 0.00 H new ATOM 0 HZ PHE A 114 0.817 -0.321 3.702 1.00 0.00 H new ATOM 1872 N GLU A 115 1.840 6.229 4.833 1.00 0.00 N ATOM 1873 CA GLU A 115 1.081 6.503 6.050 1.00 0.00 C ATOM 1874 C GLU A 115 0.062 7.610 5.777 1.00 0.00 C ATOM 1875 O GLU A 115 -1.069 7.542 6.250 1.00 0.00 O ATOM 1876 CB GLU A 115 2.036 6.946 7.160 1.00 0.00 C ATOM 1877 CG GLU A 115 3.151 5.955 7.418 1.00 0.00 C ATOM 1878 CD GLU A 115 4.090 6.375 8.514 1.00 0.00 C ATOM 1879 OE1 GLU A 115 3.757 6.176 9.701 1.00 0.00 O ATOM 1880 OE2 GLU A 115 5.184 6.888 8.220 1.00 0.00 O ATOM 0 H GLU A 115 2.838 6.424 4.912 1.00 0.00 H new ATOM 0 HA GLU A 115 0.558 5.599 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.470 7.910 6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 115 1.470 7.094 8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 115 2.715 4.990 7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 115 3.719 5.813 6.499 1.00 0.00 H new ATOM 1887 N GLU A 116 0.465 8.618 4.990 1.00 0.00 N ATOM 1888 CA GLU A 116 -0.413 9.701 4.627 1.00 0.00 C ATOM 1889 C GLU A 116 -1.623 9.172 3.879 1.00 0.00 C ATOM 1890 O GLU A 116 -2.763 9.445 4.254 1.00 0.00 O ATOM 1891 CB GLU A 116 0.289 10.759 3.780 1.00 0.00 C ATOM 1892 CG GLU A 116 -0.555 12.016 3.577 1.00 0.00 C ATOM 1893 CD GLU A 116 -0.727 12.793 4.874 1.00 0.00 C ATOM 1894 OE1 GLU A 116 -1.450 12.344 5.781 1.00 0.00 O ATOM 1895 OE2 GLU A 116 -0.098 13.854 5.031 1.00 0.00 O ATOM 0 H GLU A 116 1.404 8.691 4.598 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.730 10.176 5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 116 1.230 11.033 4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.536 10.333 2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -0.083 12.654 2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.534 11.738 3.187 1.00 0.00 H new ATOM 1902 N CYS A 117 -1.360 8.357 2.864 1.00 0.00 N ATOM 1903 CA CYS A 117 -2.331 7.743 2.089 1.00 0.00 C ATOM 1904 C CYS A 117 -3.247 6.876 2.922 1.00 0.00 C ATOM 1905 O CYS A 117 -4.412 6.762 2.619 1.00 0.00 O ATOM 1906 CB CYS A 117 -1.671 6.974 1.016 1.00 0.00 C ATOM 1907 SG CYS A 117 -0.961 7.959 -0.321 1.00 0.00 S ATOM 0 H CYS A 117 -0.409 8.122 2.579 1.00 0.00 H new ATOM 0 HA CYS A 117 -2.966 8.507 1.640 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -0.879 6.370 1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -2.397 6.283 0.589 1.00 0.00 H new ATOM 0 HG CYS A 117 0.205 8.406 0.041 1.00 0.00 H new ATOM 1913 N GLN A 118 -2.715 6.272 3.978 1.00 0.00 N ATOM 1914 CA GLN A 118 -3.519 5.435 4.853 1.00 0.00 C ATOM 1915 C GLN A 118 -4.707 6.234 5.371 1.00 0.00 C ATOM 1916 O GLN A 118 -5.828 5.739 5.388 1.00 0.00 O ATOM 1917 CB GLN A 118 -2.702 4.966 6.051 1.00 0.00 C ATOM 1918 CG GLN A 118 -1.603 4.001 5.775 1.00 0.00 C ATOM 1919 CD GLN A 118 -0.896 3.626 7.054 1.00 0.00 C ATOM 1920 OE1 GLN A 118 -1.495 3.592 8.122 1.00 0.00 O ATOM 1921 NE2 GLN A 118 0.375 3.380 6.973 1.00 0.00 N ATOM 0 H GLN A 118 -1.734 6.347 4.246 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.856 4.570 4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.271 5.843 6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.383 4.510 6.769 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.007 3.107 5.300 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.892 4.440 5.075 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.845 3.416 6.068 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.905 3.150 7.814 1.00 0.00 H new ATOM 1930 N ARG A 119 -4.447 7.440 5.865 1.00 0.00 N ATOM 1931 CA ARG A 119 -5.540 8.326 6.274 1.00 0.00 C ATOM 1932 C ARG A 119 -6.301 8.904 5.102 1.00 0.00 C ATOM 1933 O ARG A 119 -7.512 8.941 5.058 1.00 0.00 O ATOM 1934 CB ARG A 119 -5.123 9.454 7.230 1.00 0.00 C ATOM 1935 CG ARG A 119 -4.583 9.038 8.601 1.00 0.00 C ATOM 1936 CD ARG A 119 -3.128 8.601 8.542 1.00 0.00 C ATOM 1937 NE ARG A 119 -2.275 9.684 8.032 1.00 0.00 N ATOM 1938 CZ ARG A 119 -0.994 9.890 8.352 1.00 0.00 C ATOM 1939 NH1 ARG A 119 -0.371 9.082 9.210 1.00 0.00 N ATOM 1940 NH2 ARG A 119 -0.337 10.900 7.798 1.00 0.00 N ATOM 0 H ARG A 119 -3.511 7.824 5.992 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.204 7.665 6.832 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.361 10.055 6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -5.986 10.101 7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.681 9.872 9.296 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -5.189 8.222 8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -2.792 8.306 9.536 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -3.033 7.725 7.900 1.00 0.00 H new ATOM 0 HE ARG A 119 -2.699 10.338 7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -0.872 8.298 9.628 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.607 9.247 9.448 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.810 11.512 7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.641 11.064 8.037 1.00 0.00 H new ATOM 1954 N LEU A 120 -5.553 9.343 4.202 1.00 0.00 N ATOM 1955 CA LEU A 120 -6.000 10.145 3.092 1.00 0.00 C ATOM 1956 C LEU A 120 -6.765 9.460 1.983 1.00 0.00 C ATOM 1957 O LEU A 120 -7.871 9.894 1.696 1.00 0.00 O ATOM 1958 CB LEU A 120 -4.898 11.091 2.549 1.00 0.00 C ATOM 1959 CG LEU A 120 -4.897 12.526 3.093 1.00 0.00 C ATOM 1960 CD1 LEU A 120 -4.569 12.567 4.565 1.00 0.00 C ATOM 1961 CD2 LEU A 120 -3.945 13.404 2.294 1.00 0.00 C ATOM 0 H LEU A 120 -4.549 9.162 4.186 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.776 10.748 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.928 10.644 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.993 11.138 1.464 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.906 12.922 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.579 13.601 4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -5.311 11.992 5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.580 12.138 4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.960 14.417 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.934 13.001 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.258 13.424 1.250 1.00 0.00 H new ATOM 1973 N LEU A 121 -6.291 8.294 1.508 1.00 0.00 N ATOM 1974 CA LEU A 121 -6.758 7.620 0.221 1.00 0.00 C ATOM 1975 C LEU A 121 -8.238 7.328 0.285 1.00 0.00 C ATOM 1976 O LEU A 121 -8.952 7.270 -0.709 1.00 0.00 O ATOM 1977 CB LEU A 121 -5.886 6.321 0.008 1.00 0.00 C ATOM 1978 CG LEU A 121 -6.149 5.361 -1.192 1.00 0.00 C ATOM 1979 CD1 LEU A 121 -7.407 4.521 -1.020 1.00 0.00 C ATOM 1980 CD2 LEU A 121 -6.188 6.123 -2.495 1.00 0.00 C ATOM 0 H LEU A 121 -5.565 7.765 1.991 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.619 8.277 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.847 6.643 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -5.974 5.726 0.917 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.311 4.664 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -7.534 3.874 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.316 3.910 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -8.273 5.177 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -6.373 5.430 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.986 6.865 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.233 6.625 -2.652 1.00 0.00 H new ATOM 1992 N LEU A 122 -8.645 7.270 1.454 1.00 0.00 N ATOM 1993 CA LEU A 122 -9.962 7.004 1.880 1.00 0.00 C ATOM 1994 C LEU A 122 -10.977 8.077 1.473 1.00 0.00 C ATOM 1995 O LEU A 122 -12.109 7.784 1.053 1.00 0.00 O ATOM 1996 CB LEU A 122 -9.815 7.178 3.320 1.00 0.00 C ATOM 1997 CG LEU A 122 -8.961 6.121 4.067 1.00 0.00 C ATOM 1998 CD1 LEU A 122 -9.080 6.284 5.566 1.00 0.00 C ATOM 1999 CD2 LEU A 122 -9.337 4.699 3.659 1.00 0.00 C ATOM 0 H LEU A 122 -8.014 7.421 2.241 1.00 0.00 H new ATOM 0 HA LEU A 122 -10.314 6.052 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -9.376 8.159 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -10.810 7.187 3.765 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.923 6.290 3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -8.471 5.529 6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -8.734 7.277 5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -10.122 6.163 5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -8.716 3.988 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.386 4.519 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.177 4.573 2.588 1.00 0.00 H new