USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 837 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 76 ASN : amide:sc= 0.298 K(o=0.66,f=-3.2!) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -154:sc= 0.359 (180deg=0) USER MOD Set 2.1: A 44 ASN : amide:sc= -6.48! K(o=-11!,f=-9) USER MOD Set 2.2: A 45 ASN : amide:sc= -3.9 K(o=-11,f=-14!) USER MOD Set 2.3: A 79 SER OG : rot -91:sc= -0.586 USER MOD Set 3.1: A 11 LYS NZ :NH3+ 146:sc= -1.22 (180deg=0) USER MOD Set 3.2: A 31 MET CE :methyl 157:sc= -1.21 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 13 GLN : amide:sc= -2.88! C(o=-2.9!,f=-3.4!) USER MOD Single : A 14 GLN : amide:sc= -1.16 K(o=-1.2,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0.865 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 83:sc= 0.0263 USER MOD Single : A 29 GLN : amide:sc= -0.671 K(o=-0.67,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -2.76! K(o=-2.8!,f=-0.71) USER MOD Single : A 38 GLN : amide:sc= -1.86 K(o=-1.9,f=-0.83) USER MOD Single : A 39 CYS SG : rot 32:sc= 0.68 USER MOD Single : A 46 TYR OH : rot 178:sc= 0.0436 USER MOD Single : A 48 ASN : amide:sc= -1.94 K(o=-1.9,f=-0.35) USER MOD Single : A 53 THR OG1 : rot -66:sc= 1.15 USER MOD Single : A 57 SER OG : rot 180:sc= -0.235 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0694 K(o=-0.069,f=-1.6) USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= -0.0849 (180deg=-0.665) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -159:sc= -0.0581 (180deg=-0.634) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -4! K(o=-4!,f=-0.59) USER MOD Single : A 86 SER OG : rot 67:sc= -0.146! USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -3.58! C(o=-3.6!,f=-2.6!) USER MOD Single : A 92 ASN : amide:sc= -2.35! K(o=-2.3!,f=-0.68) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 3 -7.042 8.402 -1.212 1.00 0.00 N ATOM 42 CA LYS A 3 -8.079 9.449 -0.989 1.00 0.00 C ATOM 43 C LYS A 3 -8.740 9.235 0.378 1.00 0.00 C ATOM 44 O LYS A 3 -8.856 10.151 1.168 1.00 0.00 O ATOM 45 CB LYS A 3 -9.141 9.368 -2.093 1.00 0.00 C ATOM 46 CG LYS A 3 -8.467 9.249 -3.468 1.00 0.00 C ATOM 47 CD LYS A 3 -7.451 10.386 -3.663 1.00 0.00 C ATOM 48 CE LYS A 3 -7.081 10.504 -5.145 1.00 0.00 C ATOM 49 NZ LYS A 3 -6.044 11.561 -5.314 1.00 0.00 N ATOM 0 HA LYS A 3 -7.609 10.432 -1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.789 8.509 -1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.774 10.255 -2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.965 8.285 -3.553 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.221 9.286 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.872 11.327 -3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.557 10.193 -3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.707 9.549 -5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.965 10.749 -5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.792 11.642 -6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.417 12.471 -4.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.198 11.308 -4.764 1.00 0.00 H new ATOM 63 N PHE A 4 -9.179 8.034 0.666 1.00 0.00 N ATOM 64 CA PHE A 4 -9.835 7.773 1.985 1.00 0.00 C ATOM 65 C PHE A 4 -8.764 7.576 3.065 1.00 0.00 C ATOM 66 O PHE A 4 -7.611 7.326 2.777 1.00 0.00 O ATOM 67 CB PHE A 4 -10.757 6.549 1.899 1.00 0.00 C ATOM 68 CG PHE A 4 -10.089 5.402 1.178 1.00 0.00 C ATOM 69 CD1 PHE A 4 -9.990 5.431 -0.214 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.603 4.295 1.892 1.00 0.00 C ATOM 71 CE1 PHE A 4 -9.409 4.361 -0.901 1.00 0.00 C ATOM 72 CE2 PHE A 4 -9.016 3.226 1.205 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.922 3.259 -0.192 1.00 0.00 C ATOM 0 H PHE A 4 -9.112 7.226 0.047 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.449 8.633 2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -11.039 6.234 2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -11.676 6.820 1.380 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -10.364 6.283 -0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.682 4.268 2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.336 4.386 -1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.636 2.376 1.752 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.473 2.432 -0.722 1.00 0.00 H new ATOM 83 N THR A 5 -9.137 7.725 4.312 1.00 0.00 N ATOM 84 CA THR A 5 -8.150 7.591 5.428 1.00 0.00 C ATOM 85 C THR A 5 -7.913 6.129 5.776 1.00 0.00 C ATOM 86 O THR A 5 -8.688 5.256 5.454 1.00 0.00 O ATOM 87 CB THR A 5 -8.653 8.318 6.673 1.00 0.00 C ATOM 88 OG1 THR A 5 -7.778 8.049 7.759 1.00 0.00 O ATOM 89 CG2 THR A 5 -10.058 7.834 7.021 1.00 0.00 C ATOM 0 H THR A 5 -10.091 7.935 4.607 1.00 0.00 H new ATOM 0 HA THR A 5 -7.213 8.035 5.093 1.00 0.00 H new ATOM 0 HB THR A 5 -8.680 9.390 6.480 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.097 8.516 8.560 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.413 8.356 7.910 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.730 8.039 6.188 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.036 6.761 7.214 1.00 0.00 H new ATOM 97 N GLU A 6 -6.832 5.865 6.442 1.00 0.00 N ATOM 98 CA GLU A 6 -6.511 4.465 6.836 1.00 0.00 C ATOM 99 C GLU A 6 -7.735 3.823 7.503 1.00 0.00 C ATOM 100 O GLU A 6 -8.086 2.703 7.214 1.00 0.00 O ATOM 101 CB GLU A 6 -5.339 4.468 7.818 1.00 0.00 C ATOM 102 CG GLU A 6 -4.123 5.124 7.160 1.00 0.00 C ATOM 103 CD GLU A 6 -3.614 4.233 6.026 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.938 3.261 6.321 1.00 0.00 O ATOM 105 OE2 GLU A 6 -3.908 4.537 4.882 1.00 0.00 O ATOM 0 H GLU A 6 -6.148 6.563 6.735 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.242 3.893 5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.611 5.009 8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.098 3.448 8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.392 6.106 6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.335 5.277 7.898 1.00 0.00 H new ATOM 112 N GLU A 7 -8.387 4.527 8.390 1.00 0.00 N ATOM 113 CA GLU A 7 -9.586 3.950 9.072 1.00 0.00 C ATOM 114 C GLU A 7 -10.544 3.355 8.030 1.00 0.00 C ATOM 115 O GLU A 7 -11.148 2.314 8.236 1.00 0.00 O ATOM 116 CB GLU A 7 -10.308 5.052 9.854 1.00 0.00 C ATOM 117 CG GLU A 7 -9.295 5.826 10.700 1.00 0.00 C ATOM 118 CD GLU A 7 -10.036 6.759 11.658 1.00 0.00 C ATOM 119 OE1 GLU A 7 -10.971 6.301 12.296 1.00 0.00 O ATOM 120 OE2 GLU A 7 -9.658 7.917 11.738 1.00 0.00 O ATOM 0 H GLU A 7 -8.143 5.476 8.673 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.265 3.164 9.756 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.815 5.728 9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.074 4.615 10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.670 5.132 11.262 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.632 6.402 10.055 1.00 0.00 H new ATOM 127 N GLU A 8 -10.684 3.998 6.906 1.00 0.00 N ATOM 128 CA GLU A 8 -11.593 3.465 5.862 1.00 0.00 C ATOM 129 C GLU A 8 -10.964 2.195 5.280 1.00 0.00 C ATOM 130 O GLU A 8 -11.633 1.202 5.079 1.00 0.00 O ATOM 131 CB GLU A 8 -11.779 4.539 4.779 1.00 0.00 C ATOM 132 CG GLU A 8 -13.019 5.394 5.073 1.00 0.00 C ATOM 133 CD GLU A 8 -12.872 6.055 6.445 1.00 0.00 C ATOM 134 OE1 GLU A 8 -12.677 5.336 7.411 1.00 0.00 O ATOM 135 OE2 GLU A 8 -12.960 7.271 6.507 1.00 0.00 O ATOM 0 H GLU A 8 -10.208 4.868 6.667 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.571 3.216 6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.895 5.175 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.881 4.065 3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.140 6.155 4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.915 4.773 5.051 1.00 0.00 H new ATOM 142 N ASP A 9 -9.678 2.211 5.024 1.00 0.00 N ATOM 143 CA ASP A 9 -9.011 0.986 4.474 1.00 0.00 C ATOM 144 C ASP A 9 -9.417 -0.223 5.328 1.00 0.00 C ATOM 145 O ASP A 9 -9.479 -1.344 4.861 1.00 0.00 O ATOM 146 CB ASP A 9 -7.486 1.150 4.507 1.00 0.00 C ATOM 147 CG ASP A 9 -6.817 -0.157 4.069 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.904 -0.482 2.897 1.00 0.00 O ATOM 149 OD2 ASP A 9 -6.234 -0.812 4.917 1.00 0.00 O ATOM 0 H ASP A 9 -9.064 3.012 5.170 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.323 0.837 3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.184 1.963 3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.161 1.417 5.512 1.00 0.00 H new ATOM 154 N LEU A 10 -9.726 0.005 6.573 1.00 0.00 N ATOM 155 CA LEU A 10 -10.166 -1.120 7.440 1.00 0.00 C ATOM 156 C LEU A 10 -11.587 -1.474 7.011 1.00 0.00 C ATOM 157 O LEU A 10 -11.975 -2.628 6.946 1.00 0.00 O ATOM 158 CB LEU A 10 -10.141 -0.693 8.923 1.00 0.00 C ATOM 159 CG LEU A 10 -8.962 0.250 9.169 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.892 0.605 10.654 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.653 -0.422 8.736 1.00 0.00 C ATOM 0 H LEU A 10 -9.693 0.918 7.026 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.503 -1.979 7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.076 -0.197 9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.056 -1.571 9.563 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.104 1.159 8.585 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.052 1.277 10.828 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.818 1.096 10.955 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.757 -0.304 11.240 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.819 0.257 8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.506 -1.337 9.311 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.702 -0.664 7.674 1.00 0.00 H new ATOM 173 N LYS A 11 -12.358 -0.472 6.686 1.00 0.00 N ATOM 174 CA LYS A 11 -13.744 -0.719 6.227 1.00 0.00 C ATOM 175 C LYS A 11 -13.681 -1.621 4.989 1.00 0.00 C ATOM 176 O LYS A 11 -14.487 -2.510 4.814 1.00 0.00 O ATOM 177 CB LYS A 11 -14.406 0.630 5.887 1.00 0.00 C ATOM 178 CG LYS A 11 -15.929 0.514 6.005 1.00 0.00 C ATOM 179 CD LYS A 11 -16.586 1.788 5.464 1.00 0.00 C ATOM 180 CE LYS A 11 -18.070 1.798 5.837 1.00 0.00 C ATOM 181 NZ LYS A 11 -18.759 2.897 5.102 1.00 0.00 N ATOM 0 H LYS A 11 -12.081 0.509 6.721 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.334 -1.209 7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.039 1.404 6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.134 0.933 4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.282 -0.354 5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.212 0.361 7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.091 2.668 5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.472 1.836 4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.525 0.839 5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.185 1.937 6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.729 2.604 4.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.789 3.748 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.240 3.107 4.225 1.00 0.00 H new ATOM 195 N LEU A 12 -12.709 -1.404 4.139 1.00 0.00 N ATOM 196 CA LEU A 12 -12.575 -2.255 2.929 1.00 0.00 C ATOM 197 C LEU A 12 -12.407 -3.705 3.376 1.00 0.00 C ATOM 198 O LEU A 12 -13.013 -4.600 2.843 1.00 0.00 O ATOM 199 CB LEU A 12 -11.332 -1.819 2.126 1.00 0.00 C ATOM 200 CG LEU A 12 -11.682 -0.688 1.159 1.00 0.00 C ATOM 201 CD1 LEU A 12 -12.251 0.495 1.940 1.00 0.00 C ATOM 202 CD2 LEU A 12 -10.414 -0.253 0.424 1.00 0.00 C ATOM 0 H LEU A 12 -12.005 -0.673 4.235 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.460 -2.154 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.549 -1.491 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.935 -2.669 1.571 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.425 -1.034 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.500 1.301 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.150 0.182 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.510 0.848 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.654 0.554 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.676 0.096 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.007 -1.098 -0.131 1.00 0.00 H new ATOM 214 N GLN A 13 -11.587 -3.955 4.353 1.00 0.00 N ATOM 215 CA GLN A 13 -11.399 -5.366 4.795 1.00 0.00 C ATOM 216 C GLN A 13 -12.770 -5.985 5.093 1.00 0.00 C ATOM 217 O GLN A 13 -13.012 -7.141 4.813 1.00 0.00 O ATOM 218 CB GLN A 13 -10.530 -5.390 6.060 1.00 0.00 C ATOM 219 CG GLN A 13 -10.156 -6.836 6.427 1.00 0.00 C ATOM 220 CD GLN A 13 -11.349 -7.539 7.082 1.00 0.00 C ATOM 221 OE1 GLN A 13 -11.808 -8.556 6.602 1.00 0.00 O ATOM 222 NE2 GLN A 13 -11.874 -7.034 8.165 1.00 0.00 N ATOM 0 H GLN A 13 -11.044 -3.257 4.861 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.905 -5.939 4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.625 -4.804 5.899 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.067 -4.926 6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.850 -7.379 5.533 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.305 -6.838 7.107 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.489 -6.180 8.568 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.670 -7.493 8.608 1.00 0.00 H new ATOM 231 N GLN A 14 -13.674 -5.224 5.643 1.00 0.00 N ATOM 232 CA GLN A 14 -15.031 -5.780 5.951 1.00 0.00 C ATOM 233 C GLN A 14 -15.918 -5.781 4.701 1.00 0.00 C ATOM 234 O GLN A 14 -16.483 -6.791 4.331 1.00 0.00 O ATOM 235 CB GLN A 14 -15.703 -4.921 7.011 1.00 0.00 C ATOM 236 CG GLN A 14 -14.788 -4.795 8.231 1.00 0.00 C ATOM 237 CD GLN A 14 -15.450 -3.894 9.274 1.00 0.00 C ATOM 238 OE1 GLN A 14 -14.781 -3.312 10.104 1.00 0.00 O ATOM 239 NE2 GLN A 14 -16.747 -3.752 9.266 1.00 0.00 N ATOM 0 H GLN A 14 -13.538 -4.245 5.894 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.905 -6.803 6.306 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.923 -3.933 6.606 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.655 -5.365 7.303 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.594 -5.780 8.656 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.825 -4.380 7.935 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -17.309 -4.241 8.569 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.199 -3.152 9.957 1.00 0.00 H new ATOM 248 N LEU A 15 -16.066 -4.658 4.059 1.00 0.00 N ATOM 249 CA LEU A 15 -16.934 -4.603 2.851 1.00 0.00 C ATOM 250 C LEU A 15 -16.383 -5.558 1.798 1.00 0.00 C ATOM 251 O LEU A 15 -17.072 -6.429 1.307 1.00 0.00 O ATOM 252 CB LEU A 15 -16.942 -3.175 2.295 1.00 0.00 C ATOM 253 CG LEU A 15 -17.402 -2.188 3.380 1.00 0.00 C ATOM 254 CD1 LEU A 15 -17.207 -0.758 2.867 1.00 0.00 C ATOM 255 CD2 LEU A 15 -18.889 -2.415 3.722 1.00 0.00 C ATOM 0 H LEU A 15 -15.624 -3.776 4.318 1.00 0.00 H new ATOM 0 HA LEU A 15 -17.951 -4.894 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.944 -2.906 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.607 -3.116 1.433 1.00 0.00 H new ATOM 0 HG LEU A 15 -16.810 -2.347 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.531 -0.050 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -16.153 -0.593 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.798 -0.612 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -19.197 -1.708 4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -19.495 -2.266 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -19.027 -3.432 4.088 1.00 0.00 H new ATOM 267 N VAL A 16 -15.140 -5.403 1.460 1.00 0.00 N ATOM 268 CA VAL A 16 -14.522 -6.294 0.448 1.00 0.00 C ATOM 269 C VAL A 16 -14.665 -7.743 0.909 1.00 0.00 C ATOM 270 O VAL A 16 -14.780 -8.644 0.104 1.00 0.00 O ATOM 271 CB VAL A 16 -13.041 -5.939 0.287 1.00 0.00 C ATOM 272 CG1 VAL A 16 -12.445 -6.745 -0.866 1.00 0.00 C ATOM 273 CG2 VAL A 16 -12.903 -4.442 -0.023 1.00 0.00 C ATOM 0 H VAL A 16 -14.519 -4.691 1.845 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.021 -6.167 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.512 -6.173 1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.391 -6.492 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.542 -7.810 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.977 -6.509 -1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.849 -4.190 -0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.434 -4.211 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.328 -3.860 0.795 1.00 0.00 H new ATOM 283 N MET A 17 -14.675 -7.985 2.198 1.00 0.00 N ATOM 284 CA MET A 17 -14.829 -9.384 2.666 1.00 0.00 C ATOM 285 C MET A 17 -16.257 -9.848 2.344 1.00 0.00 C ATOM 286 O MET A 17 -16.494 -11.011 2.086 1.00 0.00 O ATOM 287 CB MET A 17 -14.553 -9.447 4.178 1.00 0.00 C ATOM 288 CG MET A 17 -15.086 -10.754 4.768 1.00 0.00 C ATOM 289 SD MET A 17 -14.374 -11.011 6.412 1.00 0.00 S ATOM 290 CE MET A 17 -14.957 -12.708 6.649 1.00 0.00 C ATOM 0 H MET A 17 -14.584 -7.281 2.931 1.00 0.00 H new ATOM 0 HA MET A 17 -14.120 -10.042 2.164 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.481 -9.369 4.361 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.024 -8.599 4.675 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.174 -10.719 4.833 1.00 0.00 H new ATOM 0 HG3 MET A 17 -14.832 -11.590 4.116 1.00 0.00 H new ATOM 0 HE1 MET A 17 -14.625 -13.074 7.620 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.046 -12.728 6.607 1.00 0.00 H new ATOM 0 HE3 MET A 17 -14.552 -13.345 5.863 1.00 0.00 H new ATOM 300 N ARG A 18 -17.213 -8.948 2.351 1.00 0.00 N ATOM 301 CA ARG A 18 -18.614 -9.352 2.035 1.00 0.00 C ATOM 302 C ARG A 18 -18.785 -9.441 0.514 1.00 0.00 C ATOM 303 O ARG A 18 -19.568 -10.224 0.013 1.00 0.00 O ATOM 304 CB ARG A 18 -19.589 -8.312 2.607 1.00 0.00 C ATOM 305 CG ARG A 18 -21.011 -8.890 2.625 1.00 0.00 C ATOM 306 CD ARG A 18 -21.981 -7.881 3.257 1.00 0.00 C ATOM 307 NE ARG A 18 -22.317 -6.826 2.261 1.00 0.00 N ATOM 308 CZ ARG A 18 -23.103 -7.101 1.257 1.00 0.00 C ATOM 309 NH1 ARG A 18 -23.588 -8.305 1.118 1.00 0.00 N ATOM 310 NH2 ARG A 18 -23.405 -6.174 0.390 1.00 0.00 N ATOM 0 H ARG A 18 -17.082 -7.959 2.561 1.00 0.00 H new ATOM 0 HA ARG A 18 -18.825 -10.324 2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.287 -8.033 3.616 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.563 -7.404 2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.329 -9.126 1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.026 -9.823 3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -22.888 -8.389 3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -21.530 -7.431 4.141 1.00 0.00 H new ATOM 0 HE ARG A 18 -21.932 -5.887 2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -23.352 -9.031 1.795 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -24.203 -8.520 0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -23.026 -5.233 0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -24.020 -6.390 -0.395 1.00 0.00 H new ATOM 324 N TYR A 19 -18.049 -8.646 -0.226 1.00 0.00 N ATOM 325 CA TYR A 19 -18.153 -8.675 -1.720 1.00 0.00 C ATOM 326 C TYR A 19 -17.042 -9.562 -2.282 1.00 0.00 C ATOM 327 O TYR A 19 -16.999 -9.850 -3.461 1.00 0.00 O ATOM 328 CB TYR A 19 -17.983 -7.255 -2.266 1.00 0.00 C ATOM 329 CG TYR A 19 -19.088 -6.373 -1.720 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.416 -6.616 -2.093 1.00 0.00 C ATOM 331 CD2 TYR A 19 -18.793 -5.323 -0.838 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.444 -5.812 -1.588 1.00 0.00 C ATOM 333 CE2 TYR A 19 -19.822 -4.523 -0.332 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.148 -4.767 -0.706 1.00 0.00 C ATOM 335 OH TYR A 19 -22.162 -3.976 -0.207 1.00 0.00 O ATOM 0 H TYR A 19 -17.376 -7.974 0.143 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.126 -9.068 -2.013 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.009 -6.857 -1.980 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.015 -7.266 -3.355 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -20.647 -7.424 -2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.770 -5.132 -0.549 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.467 -5.998 -1.879 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.593 -3.716 0.348 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.784 -3.298 0.392 1.00 0.00 H new ATOM 345 N GLY A 20 -16.137 -9.988 -1.445 1.00 0.00 N ATOM 346 CA GLY A 20 -15.017 -10.848 -1.917 1.00 0.00 C ATOM 347 C GLY A 20 -13.938 -9.960 -2.532 1.00 0.00 C ATOM 348 O GLY A 20 -12.861 -9.824 -1.993 1.00 0.00 O ATOM 0 H GLY A 20 -16.126 -9.775 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.605 -11.421 -1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.378 -11.567 -2.652 1.00 0.00 H new ATOM 352 N ALA A 21 -14.244 -9.355 -3.654 1.00 0.00 N ATOM 353 CA ALA A 21 -13.276 -8.449 -4.360 1.00 0.00 C ATOM 354 C ALA A 21 -13.690 -8.350 -5.838 1.00 0.00 C ATOM 355 O ALA A 21 -12.894 -8.552 -6.734 1.00 0.00 O ATOM 356 CB ALA A 21 -11.836 -9.001 -4.254 1.00 0.00 C ATOM 0 H ALA A 21 -15.145 -9.452 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.296 -7.463 -3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.150 -8.330 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.550 -9.073 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.791 -9.990 -4.711 1.00 0.00 H new ATOM 362 N LYS A 22 -14.938 -8.055 -6.105 1.00 0.00 N ATOM 363 CA LYS A 22 -15.394 -7.961 -7.533 1.00 0.00 C ATOM 364 C LYS A 22 -16.555 -6.964 -7.689 1.00 0.00 C ATOM 365 O LYS A 22 -16.877 -6.566 -8.791 1.00 0.00 O ATOM 366 CB LYS A 22 -15.846 -9.345 -8.002 1.00 0.00 C ATOM 367 CG LYS A 22 -16.832 -9.938 -6.989 1.00 0.00 C ATOM 368 CD LYS A 22 -17.513 -11.176 -7.588 1.00 0.00 C ATOM 369 CE LYS A 22 -16.483 -12.289 -7.820 1.00 0.00 C ATOM 370 NZ LYS A 22 -17.194 -13.587 -8.002 1.00 0.00 N ATOM 0 H LYS A 22 -15.658 -7.876 -5.405 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.561 -7.605 -8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.317 -9.271 -8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.983 -10.002 -8.112 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.307 -10.208 -6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.582 -9.194 -6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.296 -11.529 -6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.995 -10.915 -8.530 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.880 -12.065 -8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.800 -12.351 -6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.499 -14.344 -8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.751 -13.800 -7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.829 -13.523 -8.824 1.00 0.00 H new ATOM 384 N ASP A 23 -17.182 -6.548 -6.610 1.00 0.00 N ATOM 385 CA ASP A 23 -18.316 -5.569 -6.709 1.00 0.00 C ATOM 386 C ASP A 23 -17.827 -4.206 -6.226 1.00 0.00 C ATOM 387 O ASP A 23 -18.461 -3.551 -5.422 1.00 0.00 O ATOM 388 CB ASP A 23 -19.479 -6.044 -5.828 1.00 0.00 C ATOM 389 CG ASP A 23 -19.704 -7.541 -6.044 1.00 0.00 C ATOM 390 OD1 ASP A 23 -19.841 -7.941 -7.188 1.00 0.00 O ATOM 391 OD2 ASP A 23 -19.736 -8.264 -5.061 1.00 0.00 O ATOM 0 H ASP A 23 -16.956 -6.846 -5.661 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.659 -5.495 -7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.259 -5.846 -4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.385 -5.490 -6.074 1.00 0.00 H new ATOM 396 N TRP A 24 -16.698 -3.782 -6.712 1.00 0.00 N ATOM 397 CA TRP A 24 -16.147 -2.466 -6.288 1.00 0.00 C ATOM 398 C TRP A 24 -17.079 -1.347 -6.740 1.00 0.00 C ATOM 399 O TRP A 24 -16.943 -0.210 -6.335 1.00 0.00 O ATOM 400 CB TRP A 24 -14.763 -2.280 -6.909 1.00 0.00 C ATOM 401 CG TRP A 24 -13.892 -3.390 -6.441 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.654 -4.539 -7.113 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.158 -3.481 -5.198 1.00 0.00 C ATOM 404 NE1 TRP A 24 -12.810 -5.329 -6.353 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.480 -4.716 -5.159 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.019 -2.610 -4.112 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -11.688 -5.078 -4.072 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.226 -2.963 -3.019 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.560 -4.195 -2.996 1.00 0.00 C ATOM 0 H TRP A 24 -16.129 -4.292 -7.388 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.064 -2.435 -5.202 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -14.831 -2.283 -7.997 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.342 -1.318 -6.618 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -14.056 -4.797 -8.082 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.473 -6.249 -6.638 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.529 -1.658 -4.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.179 -6.030 -4.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.125 -2.282 -2.186 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.948 -4.463 -2.147 1.00 0.00 H new ATOM 420 N ILE A 25 -18.043 -1.662 -7.558 1.00 0.00 N ATOM 421 CA ILE A 25 -18.995 -0.622 -8.011 1.00 0.00 C ATOM 422 C ILE A 25 -19.917 -0.285 -6.843 1.00 0.00 C ATOM 423 O ILE A 25 -20.245 0.859 -6.609 1.00 0.00 O ATOM 424 CB ILE A 25 -19.814 -1.143 -9.209 1.00 0.00 C ATOM 425 CG1 ILE A 25 -20.195 -2.611 -8.984 1.00 0.00 C ATOM 426 CG2 ILE A 25 -18.983 -1.033 -10.492 1.00 0.00 C ATOM 427 CD1 ILE A 25 -21.228 -3.036 -10.030 1.00 0.00 C ATOM 0 H ILE A 25 -18.210 -2.597 -7.931 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.458 0.271 -8.332 1.00 0.00 H new ATOM 0 HB ILE A 25 -20.719 -0.542 -9.304 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.309 -3.243 -9.054 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -20.602 -2.743 -7.981 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -19.566 -1.402 -11.336 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -18.716 0.010 -10.664 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -18.075 -1.628 -10.390 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -21.499 -4.080 -9.870 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -22.117 -2.412 -9.938 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -20.805 -2.920 -11.028 1.00 0.00 H new ATOM 439 N ARG A 26 -20.325 -1.275 -6.093 1.00 0.00 N ATOM 440 CA ARG A 26 -21.220 -1.015 -4.941 1.00 0.00 C ATOM 441 C ARG A 26 -20.398 -0.426 -3.806 1.00 0.00 C ATOM 442 O ARG A 26 -20.782 0.541 -3.180 1.00 0.00 O ATOM 443 CB ARG A 26 -21.860 -2.327 -4.480 1.00 0.00 C ATOM 444 CG ARG A 26 -22.892 -2.787 -5.511 1.00 0.00 C ATOM 445 CD ARG A 26 -23.346 -4.208 -5.175 1.00 0.00 C ATOM 446 NE ARG A 26 -24.414 -4.627 -6.126 1.00 0.00 N ATOM 447 CZ ARG A 26 -25.613 -4.119 -6.028 1.00 0.00 C ATOM 448 NH1 ARG A 26 -25.878 -3.244 -5.095 1.00 0.00 N ATOM 449 NH2 ARG A 26 -26.548 -4.487 -6.861 1.00 0.00 N ATOM 0 H ARG A 26 -20.073 -2.253 -6.234 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.005 -0.318 -5.233 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -21.094 -3.091 -4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -22.337 -2.189 -3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -23.747 -2.111 -5.513 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.461 -2.758 -6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -22.501 -4.895 -5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -23.719 -4.250 -4.152 1.00 0.00 H new ATOM 0 HE ARG A 26 -24.208 -5.311 -6.854 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -25.148 -2.957 -4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -26.815 -2.847 -5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.342 -5.172 -7.589 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -27.484 -4.090 -6.784 1.00 0.00 H new ATOM 463 N ILE A 27 -19.266 -1.004 -3.534 1.00 0.00 N ATOM 464 CA ILE A 27 -18.421 -0.475 -2.438 1.00 0.00 C ATOM 465 C ILE A 27 -18.135 1.002 -2.686 1.00 0.00 C ATOM 466 O ILE A 27 -18.043 1.792 -1.767 1.00 0.00 O ATOM 467 CB ILE A 27 -17.106 -1.247 -2.387 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.418 -2.731 -2.171 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.253 -0.713 -1.232 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.134 -3.565 -2.248 1.00 0.00 C ATOM 0 H ILE A 27 -18.891 -1.817 -4.022 1.00 0.00 H new ATOM 0 HA ILE A 27 -18.944 -0.590 -1.489 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.555 -1.123 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.893 -2.872 -1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.127 -3.073 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.312 -1.261 -1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.049 0.346 -1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.790 -0.843 -0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.374 -4.617 -2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.676 -3.438 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.438 -3.234 -1.477 1.00 0.00 H new ATOM 482 N SER A 28 -17.995 1.384 -3.924 1.00 0.00 N ATOM 483 CA SER A 28 -17.715 2.812 -4.225 1.00 0.00 C ATOM 484 C SER A 28 -18.972 3.639 -3.951 1.00 0.00 C ATOM 485 O SER A 28 -18.893 4.784 -3.555 1.00 0.00 O ATOM 486 CB SER A 28 -17.300 2.952 -5.689 1.00 0.00 C ATOM 487 OG SER A 28 -15.984 2.445 -5.849 1.00 0.00 O ATOM 0 H SER A 28 -18.062 0.771 -4.736 1.00 0.00 H new ATOM 0 HA SER A 28 -16.904 3.173 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.993 2.408 -6.330 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.340 3.998 -5.993 1.00 0.00 H new ATOM 0 HG SER A 28 -16.019 1.472 -5.958 1.00 0.00 H new ATOM 493 N GLN A 29 -20.134 3.073 -4.144 1.00 0.00 N ATOM 494 CA GLN A 29 -21.378 3.855 -3.872 1.00 0.00 C ATOM 495 C GLN A 29 -21.406 4.236 -2.391 1.00 0.00 C ATOM 496 O GLN A 29 -21.747 5.346 -2.032 1.00 0.00 O ATOM 497 CB GLN A 29 -22.621 3.020 -4.208 1.00 0.00 C ATOM 498 CG GLN A 29 -22.774 2.899 -5.725 1.00 0.00 C ATOM 499 CD GLN A 29 -24.127 2.267 -6.054 1.00 0.00 C ATOM 500 OE1 GLN A 29 -24.966 2.888 -6.678 1.00 0.00 O ATOM 501 NE2 GLN A 29 -24.378 1.049 -5.658 1.00 0.00 N ATOM 0 H GLN A 29 -20.276 2.118 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.383 4.751 -4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.535 2.029 -3.762 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.509 3.486 -3.780 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.698 3.883 -6.188 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.968 2.291 -6.135 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -23.675 0.528 -5.135 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.278 0.618 -5.872 1.00 0.00 H new ATOM 510 N LEU A 30 -21.043 3.328 -1.530 1.00 0.00 N ATOM 511 CA LEU A 30 -21.041 3.642 -0.074 1.00 0.00 C ATOM 512 C LEU A 30 -20.091 4.814 0.177 1.00 0.00 C ATOM 513 O LEU A 30 -20.427 5.763 0.858 1.00 0.00 O ATOM 514 CB LEU A 30 -20.571 2.415 0.720 1.00 0.00 C ATOM 515 CG LEU A 30 -21.245 1.147 0.183 1.00 0.00 C ATOM 516 CD1 LEU A 30 -20.870 -0.037 1.076 1.00 0.00 C ATOM 517 CD2 LEU A 30 -22.770 1.326 0.180 1.00 0.00 C ATOM 0 H LEU A 30 -20.748 2.382 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.048 3.907 0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -19.488 2.319 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.809 2.543 1.776 1.00 0.00 H new ATOM 0 HG LEU A 30 -20.908 0.961 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.346 -0.942 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -19.788 -0.168 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -21.208 0.154 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.242 0.421 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.116 1.514 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.036 2.171 -0.456 1.00 0.00 H new ATOM 529 N MET A 31 -18.904 4.748 -0.378 1.00 0.00 N ATOM 530 CA MET A 31 -17.895 5.844 -0.199 1.00 0.00 C ATOM 531 C MET A 31 -17.527 6.423 -1.567 1.00 0.00 C ATOM 532 O MET A 31 -16.412 6.289 -2.028 1.00 0.00 O ATOM 533 CB MET A 31 -16.639 5.269 0.458 1.00 0.00 C ATOM 534 CG MET A 31 -16.944 4.893 1.909 1.00 0.00 C ATOM 535 SD MET A 31 -17.154 6.398 2.891 1.00 0.00 S ATOM 536 CE MET A 31 -17.541 5.590 4.464 1.00 0.00 C ATOM 0 H MET A 31 -18.586 3.970 -0.956 1.00 0.00 H new ATOM 0 HA MET A 31 -18.315 6.629 0.430 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.298 4.391 -0.092 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.831 6.000 0.423 1.00 0.00 H new ATOM 0 HG2 MET A 31 -17.848 4.286 1.956 1.00 0.00 H new ATOM 0 HG3 MET A 31 -16.133 4.290 2.318 1.00 0.00 H new ATOM 0 HE1 MET A 31 -17.313 6.268 5.287 1.00 0.00 H new ATOM 0 HE2 MET A 31 -18.600 5.331 4.489 1.00 0.00 H new ATOM 0 HE3 MET A 31 -16.943 4.684 4.564 1.00 0.00 H new ATOM 546 N ILE A 32 -18.454 7.073 -2.219 1.00 0.00 N ATOM 547 CA ILE A 32 -18.157 7.667 -3.557 1.00 0.00 C ATOM 548 C ILE A 32 -16.867 8.490 -3.482 1.00 0.00 C ATOM 549 O ILE A 32 -16.296 8.862 -4.488 1.00 0.00 O ATOM 550 CB ILE A 32 -19.315 8.576 -3.969 1.00 0.00 C ATOM 551 CG1 ILE A 32 -19.646 9.522 -2.812 1.00 0.00 C ATOM 552 CG2 ILE A 32 -20.544 7.726 -4.300 1.00 0.00 C ATOM 553 CD1 ILE A 32 -20.725 10.510 -3.251 1.00 0.00 C ATOM 0 H ILE A 32 -19.406 7.219 -1.883 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.033 6.870 -4.290 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.031 9.154 -4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -19.990 8.951 -1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -18.750 10.060 -2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.368 8.376 -4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.307 7.048 -5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.833 7.147 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -20.960 11.183 -2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.364 11.090 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -21.623 9.964 -3.540 1.00 0.00 H new ATOM 565 N THR A 33 -16.409 8.776 -2.296 1.00 0.00 N ATOM 566 CA THR A 33 -15.161 9.575 -2.147 1.00 0.00 C ATOM 567 C THR A 33 -13.973 8.800 -2.726 1.00 0.00 C ATOM 568 O THR A 33 -12.840 9.230 -2.632 1.00 0.00 O ATOM 569 CB THR A 33 -14.911 9.854 -0.663 1.00 0.00 C ATOM 570 OG1 THR A 33 -14.644 8.631 0.009 1.00 0.00 O ATOM 571 CG2 THR A 33 -16.146 10.516 -0.051 1.00 0.00 C ATOM 0 H THR A 33 -16.847 8.490 -1.420 1.00 0.00 H new ATOM 0 HA THR A 33 -15.271 10.516 -2.685 1.00 0.00 H new ATOM 0 HB THR A 33 -14.055 10.521 -0.558 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.482 8.808 0.959 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.967 10.714 1.006 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.349 11.455 -0.567 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.004 9.852 -0.155 1.00 0.00 H new ATOM 579 N ARG A 34 -14.217 7.662 -3.327 1.00 0.00 N ATOM 580 CA ARG A 34 -13.093 6.866 -3.912 1.00 0.00 C ATOM 581 C ARG A 34 -13.619 6.056 -5.100 1.00 0.00 C ATOM 582 O ARG A 34 -14.650 5.419 -5.018 1.00 0.00 O ATOM 583 CB ARG A 34 -12.515 5.935 -2.832 1.00 0.00 C ATOM 584 CG ARG A 34 -13.447 4.731 -2.587 1.00 0.00 C ATOM 585 CD ARG A 34 -13.157 4.114 -1.214 1.00 0.00 C ATOM 586 NE ARG A 34 -13.462 5.115 -0.151 1.00 0.00 N ATOM 587 CZ ARG A 34 -13.632 4.729 1.086 1.00 0.00 C ATOM 588 NH1 ARG A 34 -13.544 3.464 1.392 1.00 0.00 N ATOM 589 NH2 ARG A 34 -13.894 5.609 2.013 1.00 0.00 N ATOM 0 H ARG A 34 -15.144 7.250 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.301 7.529 -4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.531 5.581 -3.140 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.379 6.489 -1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.488 5.050 -2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -13.303 3.984 -3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.761 3.218 -1.070 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.113 3.808 -1.153 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.538 6.104 -0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.343 2.776 0.666 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.677 3.162 2.357 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.966 6.598 1.772 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.027 5.308 2.979 1.00 0.00 H new ATOM 603 N ASN A 35 -12.926 6.082 -6.206 1.00 0.00 N ATOM 604 CA ASN A 35 -13.404 5.322 -7.394 1.00 0.00 C ATOM 605 C ASN A 35 -13.157 3.821 -7.178 1.00 0.00 C ATOM 606 O ASN A 35 -12.228 3.444 -6.495 1.00 0.00 O ATOM 607 CB ASN A 35 -12.645 5.799 -8.638 1.00 0.00 C ATOM 608 CG ASN A 35 -12.599 7.328 -8.650 1.00 0.00 C ATOM 609 OD1 ASN A 35 -11.827 7.919 -9.379 1.00 0.00 O ATOM 610 ND2 ASN A 35 -13.398 7.999 -7.867 1.00 0.00 N ATOM 0 H ASN A 35 -12.054 6.594 -6.337 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.472 5.492 -7.533 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.633 5.394 -8.638 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.135 5.432 -9.540 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.374 9.019 -7.867 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.046 7.504 -7.255 1.00 0.00 H new ATOM 617 N PRO A 36 -13.962 2.954 -7.754 1.00 0.00 N ATOM 618 CA PRO A 36 -13.771 1.485 -7.597 1.00 0.00 C ATOM 619 C PRO A 36 -12.294 1.093 -7.722 1.00 0.00 C ATOM 620 O PRO A 36 -11.780 0.285 -6.974 1.00 0.00 O ATOM 621 CB PRO A 36 -14.583 0.902 -8.760 1.00 0.00 C ATOM 622 CG PRO A 36 -15.700 1.875 -8.969 1.00 0.00 C ATOM 623 CD PRO A 36 -15.133 3.258 -8.610 1.00 0.00 C ATOM 0 HA PRO A 36 -14.087 1.123 -6.619 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.973 0.801 -9.658 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.963 -0.091 -8.519 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.048 1.853 -10.002 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.555 1.629 -8.339 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.842 3.814 -9.501 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.867 3.865 -8.081 1.00 0.00 H new ATOM 631 N ARG A 37 -11.621 1.669 -8.677 1.00 0.00 N ATOM 632 CA ARG A 37 -10.184 1.354 -8.892 1.00 0.00 C ATOM 633 C ARG A 37 -9.347 1.880 -7.723 1.00 0.00 C ATOM 634 O ARG A 37 -8.284 1.370 -7.442 1.00 0.00 O ATOM 635 CB ARG A 37 -9.711 2.017 -10.188 1.00 0.00 C ATOM 636 CG ARG A 37 -10.598 1.557 -11.349 1.00 0.00 C ATOM 637 CD ARG A 37 -10.002 2.022 -12.682 1.00 0.00 C ATOM 638 NE ARG A 37 -10.161 3.504 -12.816 1.00 0.00 N ATOM 639 CZ ARG A 37 -9.247 4.323 -12.356 1.00 0.00 C ATOM 640 NH1 ARG A 37 -8.179 3.859 -11.764 1.00 0.00 N ATOM 641 NH2 ARG A 37 -9.405 5.612 -12.489 1.00 0.00 N ATOM 0 H ARG A 37 -12.011 2.353 -9.325 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.063 0.273 -8.959 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.754 3.102 -10.091 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.671 1.755 -10.385 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.687 0.471 -11.341 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.604 1.960 -11.231 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.947 1.754 -12.733 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.500 1.517 -13.510 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.992 3.882 -13.271 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.052 2.853 -11.657 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.472 4.503 -11.409 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.238 5.979 -12.950 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.696 6.252 -12.132 1.00 0.00 H new ATOM 655 N GLN A 38 -9.803 2.909 -7.057 1.00 0.00 N ATOM 656 CA GLN A 38 -9.010 3.477 -5.925 1.00 0.00 C ATOM 657 C GLN A 38 -9.060 2.558 -4.704 1.00 0.00 C ATOM 658 O GLN A 38 -8.118 2.500 -3.937 1.00 0.00 O ATOM 659 CB GLN A 38 -9.565 4.852 -5.543 1.00 0.00 C ATOM 660 CG GLN A 38 -9.258 5.863 -6.656 1.00 0.00 C ATOM 661 CD GLN A 38 -7.772 6.228 -6.626 1.00 0.00 C ATOM 662 OE1 GLN A 38 -6.960 5.572 -7.249 1.00 0.00 O ATOM 663 NE2 GLN A 38 -7.380 7.254 -5.922 1.00 0.00 N ATOM 0 H GLN A 38 -10.688 3.380 -7.247 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.974 3.570 -6.250 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.641 4.788 -5.383 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.123 5.185 -4.604 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.519 5.441 -7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.865 6.759 -6.525 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.062 7.804 -5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.392 7.506 -5.894 1.00 0.00 H new ATOM 672 N CYS A 39 -10.135 1.841 -4.495 1.00 0.00 N ATOM 673 CA CYS A 39 -10.202 0.941 -3.313 1.00 0.00 C ATOM 674 C CYS A 39 -9.696 -0.439 -3.730 1.00 0.00 C ATOM 675 O CYS A 39 -9.254 -1.224 -2.914 1.00 0.00 O ATOM 676 CB CYS A 39 -11.650 0.875 -2.838 1.00 0.00 C ATOM 677 SG CYS A 39 -12.757 0.919 -4.269 1.00 0.00 S ATOM 0 H CYS A 39 -10.963 1.842 -5.090 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.583 1.310 -2.495 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.815 -0.038 -2.265 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.864 1.712 -2.173 1.00 0.00 H new ATOM 0 HG CYS A 39 -12.178 0.347 -5.283 1.00 0.00 H new ATOM 683 N ARG A 40 -9.737 -0.730 -5.001 1.00 0.00 N ATOM 684 CA ARG A 40 -9.232 -2.050 -5.472 1.00 0.00 C ATOM 685 C ARG A 40 -7.713 -2.066 -5.321 1.00 0.00 C ATOM 686 O ARG A 40 -7.119 -3.076 -4.999 1.00 0.00 O ATOM 687 CB ARG A 40 -9.608 -2.240 -6.948 1.00 0.00 C ATOM 688 CG ARG A 40 -8.899 -3.469 -7.555 1.00 0.00 C ATOM 689 CD ARG A 40 -9.200 -4.726 -6.735 1.00 0.00 C ATOM 690 NE ARG A 40 -8.859 -5.932 -7.541 1.00 0.00 N ATOM 691 CZ ARG A 40 -7.610 -6.220 -7.788 1.00 0.00 C ATOM 692 NH1 ARG A 40 -6.659 -5.458 -7.324 1.00 0.00 N ATOM 693 NH2 ARG A 40 -7.313 -7.274 -8.499 1.00 0.00 N ATOM 0 H ARG A 40 -10.096 -0.114 -5.730 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.673 -2.856 -4.886 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.688 -2.360 -7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.338 -1.347 -7.512 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.227 -3.613 -8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.823 -3.297 -7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.624 -4.718 -5.810 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.253 -4.748 -6.454 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.601 -6.532 -7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.891 -4.635 -6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.684 -5.685 -7.518 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.057 -7.871 -8.861 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.337 -7.500 -8.693 1.00 0.00 H new ATOM 707 N GLU A 41 -7.074 -0.950 -5.551 1.00 0.00 N ATOM 708 CA GLU A 41 -5.595 -0.921 -5.418 1.00 0.00 C ATOM 709 C GLU A 41 -5.238 -1.139 -3.955 1.00 0.00 C ATOM 710 O GLU A 41 -4.157 -1.586 -3.627 1.00 0.00 O ATOM 711 CB GLU A 41 -5.033 0.423 -5.896 1.00 0.00 C ATOM 712 CG GLU A 41 -5.794 1.573 -5.238 1.00 0.00 C ATOM 713 CD GLU A 41 -5.064 2.890 -5.504 1.00 0.00 C ATOM 714 OE1 GLU A 41 -4.397 2.981 -6.522 1.00 0.00 O ATOM 715 OE2 GLU A 41 -5.184 3.788 -4.687 1.00 0.00 O ATOM 0 H GLU A 41 -7.509 -0.068 -5.822 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.160 -1.707 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.973 0.491 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.115 0.496 -6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.809 1.623 -5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.876 1.401 -4.165 1.00 0.00 H new ATOM 722 N ARG A 42 -6.147 -0.834 -3.069 1.00 0.00 N ATOM 723 CA ARG A 42 -5.860 -1.035 -1.618 1.00 0.00 C ATOM 724 C ARG A 42 -5.935 -2.540 -1.316 1.00 0.00 C ATOM 725 O ARG A 42 -5.147 -3.074 -0.560 1.00 0.00 O ATOM 726 CB ARG A 42 -6.892 -0.230 -0.780 1.00 0.00 C ATOM 727 CG ARG A 42 -6.177 0.626 0.285 1.00 0.00 C ATOM 728 CD ARG A 42 -5.492 1.849 -0.365 1.00 0.00 C ATOM 729 NE ARG A 42 -4.272 2.199 0.417 1.00 0.00 N ATOM 730 CZ ARG A 42 -4.383 2.660 1.633 1.00 0.00 C ATOM 731 NH1 ARG A 42 -5.563 2.822 2.167 1.00 0.00 N ATOM 732 NH2 ARG A 42 -3.313 2.963 2.316 1.00 0.00 N ATOM 0 H ARG A 42 -7.070 -0.457 -3.284 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.864 -0.676 -1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.480 0.412 -1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.589 -0.914 -0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.896 0.961 1.032 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.434 0.021 0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.225 1.625 -1.398 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.178 2.695 -0.389 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.349 2.078 0.001 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.401 2.588 1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.648 3.182 3.117 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.390 2.840 1.899 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.400 3.323 3.266 1.00 0.00 H new ATOM 746 N TRP A 43 -6.873 -3.224 -1.915 1.00 0.00 N ATOM 747 CA TRP A 43 -7.011 -4.694 -1.690 1.00 0.00 C ATOM 748 C TRP A 43 -5.651 -5.374 -1.785 1.00 0.00 C ATOM 749 O TRP A 43 -5.196 -6.001 -0.856 1.00 0.00 O ATOM 750 CB TRP A 43 -7.917 -5.242 -2.804 1.00 0.00 C ATOM 751 CG TRP A 43 -8.343 -6.653 -2.528 1.00 0.00 C ATOM 752 CD1 TRP A 43 -8.868 -7.105 -1.367 1.00 0.00 C ATOM 753 CD2 TRP A 43 -8.310 -7.798 -3.431 1.00 0.00 C ATOM 754 NE1 TRP A 43 -9.152 -8.453 -1.496 1.00 0.00 N ATOM 755 CE2 TRP A 43 -8.825 -8.926 -2.751 1.00 0.00 C ATOM 756 CE3 TRP A 43 -7.881 -7.964 -4.760 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -8.914 -10.174 -3.367 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -7.969 -9.220 -5.384 1.00 0.00 C ATOM 759 CH2 TRP A 43 -8.484 -10.322 -4.688 1.00 0.00 C ATOM 0 H TRP A 43 -7.557 -2.824 -2.557 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.428 -4.885 -0.701 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.798 -4.608 -2.901 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.388 -5.201 -3.756 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.038 -6.510 -0.482 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.554 -9.027 -0.755 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.482 -7.121 -5.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.312 -11.020 -2.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.638 -9.337 -6.405 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.548 -11.285 -5.173 1.00 0.00 H new ATOM 770 N ASN A 44 -5.000 -5.235 -2.898 1.00 0.00 N ATOM 771 CA ASN A 44 -3.665 -5.876 -3.080 1.00 0.00 C ATOM 772 C ASN A 44 -2.588 -5.128 -2.287 1.00 0.00 C ATOM 773 O ASN A 44 -1.612 -5.711 -1.861 1.00 0.00 O ATOM 774 CB ASN A 44 -3.303 -5.873 -4.570 1.00 0.00 C ATOM 775 CG ASN A 44 -3.612 -4.501 -5.169 1.00 0.00 C ATOM 776 OD1 ASN A 44 -2.885 -3.551 -4.952 1.00 0.00 O ATOM 777 ND2 ASN A 44 -4.668 -4.356 -5.920 1.00 0.00 N ATOM 0 H ASN A 44 -5.334 -4.701 -3.700 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.714 -6.900 -2.710 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.246 -6.108 -4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.867 -6.645 -5.093 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.884 -3.445 -6.326 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.278 -5.153 -6.102 1.00 0.00 H new ATOM 784 N ASN A 45 -2.742 -3.844 -2.095 1.00 0.00 N ATOM 785 CA ASN A 45 -1.705 -3.067 -1.345 1.00 0.00 C ATOM 786 C ASN A 45 -2.057 -2.986 0.142 1.00 0.00 C ATOM 787 O ASN A 45 -1.492 -2.190 0.865 1.00 0.00 O ATOM 788 CB ASN A 45 -1.624 -1.652 -1.917 1.00 0.00 C ATOM 789 CG ASN A 45 -1.165 -1.714 -3.375 1.00 0.00 C ATOM 790 OD1 ASN A 45 -0.417 -2.595 -3.751 1.00 0.00 O ATOM 791 ND2 ASN A 45 -1.584 -0.810 -4.218 1.00 0.00 N ATOM 0 H ASN A 45 -3.539 -3.299 -2.424 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.746 -3.574 -1.451 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.598 -1.166 -1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.928 -1.051 -1.331 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.284 -0.843 -5.192 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.212 -0.071 -3.903 1.00 0.00 H new ATOM 798 N TYR A 46 -2.972 -3.794 0.622 1.00 0.00 N ATOM 799 CA TYR A 46 -3.318 -3.732 2.082 1.00 0.00 C ATOM 800 C TYR A 46 -3.792 -5.108 2.574 1.00 0.00 C ATOM 801 O TYR A 46 -3.224 -5.662 3.495 1.00 0.00 O ATOM 802 CB TYR A 46 -4.405 -2.653 2.303 1.00 0.00 C ATOM 803 CG TYR A 46 -4.144 -1.897 3.600 1.00 0.00 C ATOM 804 CD1 TYR A 46 -4.083 -2.597 4.812 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.959 -0.504 3.590 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.841 -1.911 6.008 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.717 0.180 4.788 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.659 -0.523 5.996 1.00 0.00 C ATOM 809 OH TYR A 46 -3.419 0.151 7.175 1.00 0.00 O ATOM 0 H TYR A 46 -3.489 -4.485 0.078 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.434 -3.460 2.659 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.412 -1.957 1.464 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.389 -3.120 2.338 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.223 -3.668 4.824 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.003 0.040 2.658 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.795 -2.453 6.941 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.575 1.251 4.779 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.283 1.103 6.986 1.00 0.00 H new ATOM 819 N ILE A 47 -4.816 -5.672 1.975 1.00 0.00 N ATOM 820 CA ILE A 47 -5.305 -7.022 2.423 1.00 0.00 C ATOM 821 C ILE A 47 -5.783 -7.851 1.215 1.00 0.00 C ATOM 822 O ILE A 47 -6.670 -7.475 0.474 1.00 0.00 O ATOM 823 CB ILE A 47 -6.419 -6.885 3.508 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.830 -6.666 2.914 1.00 0.00 C ATOM 825 CG2 ILE A 47 -6.093 -5.713 4.437 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.887 -5.370 2.102 1.00 0.00 C ATOM 0 H ILE A 47 -5.334 -5.260 1.199 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.473 -7.555 2.883 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.435 -7.829 4.052 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.096 -7.510 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.565 -6.629 3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.873 -5.620 5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.134 -5.891 4.924 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.040 -4.792 3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.890 -5.239 1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.644 -4.526 2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.168 -5.421 1.285 1.00 0.00 H new ATOM 838 N ASN A 48 -5.165 -8.987 1.034 1.00 0.00 N ATOM 839 CA ASN A 48 -5.509 -9.916 -0.087 1.00 0.00 C ATOM 840 C ASN A 48 -4.567 -11.138 -0.021 1.00 0.00 C ATOM 841 O ASN A 48 -5.001 -12.262 -0.172 1.00 0.00 O ATOM 842 CB ASN A 48 -5.393 -9.179 -1.457 1.00 0.00 C ATOM 843 CG ASN A 48 -4.443 -9.897 -2.434 1.00 0.00 C ATOM 844 OD1 ASN A 48 -4.829 -10.843 -3.093 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.211 -9.479 -2.553 1.00 0.00 N ATOM 0 H ASN A 48 -4.412 -9.321 1.635 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.540 -10.257 0.010 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.382 -9.100 -1.909 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.037 -8.162 -1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.574 -9.946 -3.198 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.886 -8.685 -2.001 1.00 0.00 H new ATOM 852 N PRO A 49 -3.284 -10.921 0.191 1.00 0.00 N ATOM 853 CA PRO A 49 -2.284 -12.012 0.260 1.00 0.00 C ATOM 854 C PRO A 49 -2.020 -12.457 1.704 1.00 0.00 C ATOM 855 O PRO A 49 -2.750 -13.249 2.264 1.00 0.00 O ATOM 856 CB PRO A 49 -1.040 -11.354 -0.364 1.00 0.00 C ATOM 857 CG PRO A 49 -1.167 -9.873 -0.060 1.00 0.00 C ATOM 858 CD PRO A 49 -2.627 -9.621 0.393 1.00 0.00 C ATOM 0 HA PRO A 49 -2.602 -12.922 -0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.124 -11.764 0.061 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.000 -11.532 -1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.466 -9.579 0.721 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.930 -9.278 -0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.674 -9.306 1.436 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.100 -8.837 -0.198 1.00 0.00 H new ATOM 866 N ALA A 50 -0.980 -11.951 2.306 1.00 0.00 N ATOM 867 CA ALA A 50 -0.663 -12.339 3.705 1.00 0.00 C ATOM 868 C ALA A 50 0.506 -11.491 4.209 1.00 0.00 C ATOM 869 O ALA A 50 1.575 -11.997 4.486 1.00 0.00 O ATOM 870 CB ALA A 50 -0.277 -13.820 3.751 1.00 0.00 C ATOM 0 H ALA A 50 -0.334 -11.283 1.886 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.535 -12.174 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.045 -14.104 4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.108 -14.424 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.597 -13.988 3.121 1.00 0.00 H new ATOM 876 N LEU A 51 0.310 -10.203 4.333 1.00 0.00 N ATOM 877 CA LEU A 51 1.416 -9.317 4.825 1.00 0.00 C ATOM 878 C LEU A 51 2.039 -9.928 6.085 1.00 0.00 C ATOM 879 O LEU A 51 3.096 -9.519 6.522 1.00 0.00 O ATOM 880 CB LEU A 51 0.873 -7.920 5.186 1.00 0.00 C ATOM 881 CG LEU A 51 0.399 -7.120 3.951 1.00 0.00 C ATOM 882 CD1 LEU A 51 1.467 -7.104 2.844 1.00 0.00 C ATOM 883 CD2 LEU A 51 -0.910 -7.692 3.392 1.00 0.00 C ATOM 0 H LEU A 51 -0.564 -9.725 4.116 1.00 0.00 H new ATOM 0 HA LEU A 51 2.159 -9.227 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.042 -8.028 5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.650 -7.356 5.701 1.00 0.00 H new ATOM 0 HG LEU A 51 0.227 -6.096 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.099 -6.533 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.378 -6.642 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.682 -8.126 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.220 -7.110 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.757 -8.730 3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.685 -7.643 4.157 1.00 0.00 H new ATOM 895 N ARG A 52 1.395 -10.902 6.668 1.00 0.00 N ATOM 896 CA ARG A 52 1.952 -11.542 7.899 1.00 0.00 C ATOM 897 C ARG A 52 3.434 -11.869 7.679 1.00 0.00 C ATOM 898 O ARG A 52 4.223 -11.874 8.604 1.00 0.00 O ATOM 899 CB ARG A 52 1.180 -12.833 8.205 1.00 0.00 C ATOM 900 CG ARG A 52 -0.333 -12.582 8.107 1.00 0.00 C ATOM 901 CD ARG A 52 -0.732 -11.389 8.984 1.00 0.00 C ATOM 902 NE ARG A 52 -2.206 -11.412 9.205 1.00 0.00 N ATOM 903 CZ ARG A 52 -3.018 -11.133 8.223 1.00 0.00 C ATOM 904 NH1 ARG A 52 -2.541 -10.835 7.045 1.00 0.00 N ATOM 905 NH2 ARG A 52 -4.309 -11.152 8.417 1.00 0.00 N ATOM 0 H ARG A 52 0.506 -11.284 6.346 1.00 0.00 H new ATOM 0 HA ARG A 52 1.852 -10.856 8.740 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.472 -13.615 7.504 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.433 -13.189 9.204 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.610 -12.389 7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.877 -13.472 8.422 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.209 -11.434 9.939 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.439 -10.455 8.503 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.580 -11.646 10.125 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.533 -10.820 6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.177 -10.617 6.278 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.683 -11.385 9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.943 -10.934 7.649 1.00 0.00 H new ATOM 919 N THR A 53 3.817 -12.137 6.459 1.00 0.00 N ATOM 920 CA THR A 53 5.247 -12.459 6.180 1.00 0.00 C ATOM 921 C THR A 53 5.528 -12.357 4.676 1.00 0.00 C ATOM 922 O THR A 53 5.765 -13.350 4.017 1.00 0.00 O ATOM 923 CB THR A 53 5.542 -13.881 6.656 1.00 0.00 C ATOM 924 OG1 THR A 53 6.756 -14.334 6.071 1.00 0.00 O ATOM 925 CG2 THR A 53 4.397 -14.808 6.244 1.00 0.00 C ATOM 0 H THR A 53 3.203 -12.147 5.645 1.00 0.00 H new ATOM 0 HA THR A 53 5.884 -11.750 6.708 1.00 0.00 H new ATOM 0 HB THR A 53 5.638 -13.887 7.742 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.640 -14.420 5.102 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.609 -15.822 6.584 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.467 -14.461 6.695 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.297 -14.803 5.159 1.00 0.00 H new ATOM 933 N ASP A 54 5.510 -11.162 4.125 1.00 0.00 N ATOM 934 CA ASP A 54 5.782 -10.986 2.659 1.00 0.00 C ATOM 935 C ASP A 54 6.718 -9.794 2.456 1.00 0.00 C ATOM 936 O ASP A 54 6.324 -8.779 1.927 1.00 0.00 O ATOM 937 CB ASP A 54 4.464 -10.727 1.928 1.00 0.00 C ATOM 938 CG ASP A 54 3.612 -11.997 1.943 1.00 0.00 C ATOM 939 OD1 ASP A 54 3.428 -12.551 3.015 1.00 0.00 O ATOM 940 OD2 ASP A 54 3.159 -12.397 0.883 1.00 0.00 O ATOM 0 H ASP A 54 5.318 -10.298 4.631 1.00 0.00 H new ATOM 0 HA ASP A 54 6.249 -11.888 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.925 -9.910 2.407 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.660 -10.421 0.901 1.00 0.00 H new ATOM 945 N PRO A 55 7.954 -9.915 2.872 1.00 0.00 N ATOM 946 CA PRO A 55 8.965 -8.829 2.731 1.00 0.00 C ATOM 947 C PRO A 55 9.641 -8.841 1.354 1.00 0.00 C ATOM 948 O PRO A 55 9.992 -9.880 0.832 1.00 0.00 O ATOM 949 CB PRO A 55 9.971 -9.174 3.831 1.00 0.00 C ATOM 950 CG PRO A 55 9.977 -10.669 3.855 1.00 0.00 C ATOM 951 CD PRO A 55 8.534 -11.104 3.532 1.00 0.00 C ATOM 0 HA PRO A 55 8.530 -7.833 2.818 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.960 -8.774 3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.669 -8.760 4.793 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.678 -11.068 3.122 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.288 -11.042 4.831 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.515 -11.976 2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.984 -11.370 4.434 1.00 0.00 H new ATOM 959 N TRP A 56 9.835 -7.690 0.770 1.00 0.00 N ATOM 960 CA TRP A 56 10.500 -7.635 -0.566 1.00 0.00 C ATOM 961 C TRP A 56 12.000 -7.921 -0.391 1.00 0.00 C ATOM 962 O TRP A 56 12.428 -8.374 0.652 1.00 0.00 O ATOM 963 CB TRP A 56 10.268 -6.256 -1.230 1.00 0.00 C ATOM 964 CG TRP A 56 10.114 -5.176 -0.202 1.00 0.00 C ATOM 965 CD1 TRP A 56 8.944 -4.803 0.367 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.132 -4.302 0.351 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.181 -3.768 1.252 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.521 -3.417 1.274 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.517 -4.197 0.146 1.00 0.00 C ATOM 970 CZ2 TRP A 56 11.265 -2.459 1.965 1.00 0.00 C ATOM 971 CZ3 TRP A 56 13.266 -3.238 0.837 1.00 0.00 C ATOM 972 CH2 TRP A 56 12.643 -2.368 1.744 1.00 0.00 C ATOM 0 H TRP A 56 9.563 -6.787 1.158 1.00 0.00 H new ATOM 0 HA TRP A 56 10.069 -8.391 -1.222 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.106 -6.020 -1.886 1.00 0.00 H new ATOM 0 HB3 TRP A 56 9.376 -6.296 -1.855 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.979 -5.244 0.162 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.460 -3.319 1.817 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.008 -4.861 -0.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.781 -1.794 2.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 14.331 -3.167 0.671 1.00 0.00 H new ATOM 0 HH2 TRP A 56 13.227 -1.628 2.271 1.00 0.00 H new ATOM 983 N SER A 57 12.792 -7.689 -1.416 1.00 0.00 N ATOM 984 CA SER A 57 14.269 -7.975 -1.339 1.00 0.00 C ATOM 985 C SER A 57 15.059 -6.744 -1.817 1.00 0.00 C ATOM 986 O SER A 57 14.482 -5.770 -2.257 1.00 0.00 O ATOM 987 CB SER A 57 14.570 -9.189 -2.248 1.00 0.00 C ATOM 988 OG SER A 57 15.313 -8.775 -3.391 1.00 0.00 O ATOM 0 H SER A 57 12.478 -7.311 -2.310 1.00 0.00 H new ATOM 0 HA SER A 57 14.563 -8.196 -0.313 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.132 -9.939 -1.692 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.637 -9.658 -2.562 1.00 0.00 H new ATOM 0 HG SER A 57 15.499 -9.552 -3.959 1.00 0.00 H new ATOM 994 N PRO A 58 16.374 -6.788 -1.741 1.00 0.00 N ATOM 995 CA PRO A 58 17.241 -5.654 -2.187 1.00 0.00 C ATOM 996 C PRO A 58 16.826 -5.118 -3.563 1.00 0.00 C ATOM 997 O PRO A 58 17.198 -4.031 -3.958 1.00 0.00 O ATOM 998 CB PRO A 58 18.645 -6.276 -2.233 1.00 0.00 C ATOM 999 CG PRO A 58 18.610 -7.332 -1.177 1.00 0.00 C ATOM 1000 CD PRO A 58 17.189 -7.912 -1.225 1.00 0.00 C ATOM 0 HA PRO A 58 17.174 -4.793 -1.522 1.00 0.00 H new ATOM 0 HB2 PRO A 58 18.861 -6.700 -3.214 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.417 -5.534 -2.029 1.00 0.00 H new ATOM 0 HG2 PRO A 58 19.356 -8.104 -1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 58 18.830 -6.913 -0.195 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.133 -8.782 -1.879 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.853 -8.232 -0.239 1.00 0.00 H new ATOM 1008 N GLU A 59 16.049 -5.875 -4.286 1.00 0.00 N ATOM 1009 CA GLU A 59 15.595 -5.426 -5.621 1.00 0.00 C ATOM 1010 C GLU A 59 14.700 -4.217 -5.427 1.00 0.00 C ATOM 1011 O GLU A 59 14.868 -3.204 -6.071 1.00 0.00 O ATOM 1012 CB GLU A 59 14.810 -6.546 -6.304 1.00 0.00 C ATOM 1013 CG GLU A 59 15.748 -7.718 -6.605 1.00 0.00 C ATOM 1014 CD GLU A 59 15.025 -8.738 -7.486 1.00 0.00 C ATOM 1015 OE1 GLU A 59 14.240 -9.504 -6.950 1.00 0.00 O ATOM 1016 OE2 GLU A 59 15.268 -8.736 -8.681 1.00 0.00 O ATOM 0 H GLU A 59 15.709 -6.794 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 59 16.450 -5.170 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.993 -6.876 -5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.361 -6.179 -7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.646 -7.359 -7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.070 -8.188 -5.676 1.00 0.00 H new ATOM 1023 N GLU A 60 13.761 -4.293 -4.521 1.00 0.00 N ATOM 1024 CA GLU A 60 12.893 -3.114 -4.295 1.00 0.00 C ATOM 1025 C GLU A 60 13.733 -2.039 -3.613 1.00 0.00 C ATOM 1026 O GLU A 60 13.505 -0.868 -3.783 1.00 0.00 O ATOM 1027 CB GLU A 60 11.695 -3.491 -3.416 1.00 0.00 C ATOM 1028 CG GLU A 60 10.796 -4.495 -4.155 1.00 0.00 C ATOM 1029 CD GLU A 60 10.240 -3.866 -5.436 1.00 0.00 C ATOM 1030 OE1 GLU A 60 10.124 -2.653 -5.474 1.00 0.00 O ATOM 1031 OE2 GLU A 60 9.942 -4.610 -6.355 1.00 0.00 O ATOM 0 H GLU A 60 13.564 -5.108 -3.940 1.00 0.00 H new ATOM 0 HA GLU A 60 12.505 -2.745 -5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.043 -3.924 -2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.124 -2.598 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.365 -5.392 -4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.975 -4.804 -3.508 1.00 0.00 H new ATOM 1038 N ASP A 61 14.727 -2.430 -2.859 1.00 0.00 N ATOM 1039 CA ASP A 61 15.593 -1.413 -2.195 1.00 0.00 C ATOM 1040 C ASP A 61 16.288 -0.578 -3.272 1.00 0.00 C ATOM 1041 O ASP A 61 16.196 0.633 -3.293 1.00 0.00 O ATOM 1042 CB ASP A 61 16.654 -2.113 -1.338 1.00 0.00 C ATOM 1043 CG ASP A 61 17.341 -1.088 -0.431 1.00 0.00 C ATOM 1044 OD1 ASP A 61 17.351 0.078 -0.790 1.00 0.00 O ATOM 1045 OD2 ASP A 61 17.843 -1.486 0.607 1.00 0.00 O ATOM 0 H ASP A 61 14.975 -3.402 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 61 14.982 -0.773 -1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.191 -2.894 -0.735 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.391 -2.598 -1.978 1.00 0.00 H new ATOM 1050 N MET A 62 16.983 -1.223 -4.168 1.00 0.00 N ATOM 1051 CA MET A 62 17.683 -0.479 -5.247 1.00 0.00 C ATOM 1052 C MET A 62 16.652 0.223 -6.128 1.00 0.00 C ATOM 1053 O MET A 62 16.836 1.356 -6.527 1.00 0.00 O ATOM 1054 CB MET A 62 18.501 -1.455 -6.096 1.00 0.00 C ATOM 1055 CG MET A 62 19.681 -1.981 -5.275 1.00 0.00 C ATOM 1056 SD MET A 62 20.733 -3.014 -6.325 1.00 0.00 S ATOM 1057 CE MET A 62 19.834 -4.568 -6.093 1.00 0.00 C ATOM 0 H MET A 62 17.095 -2.236 -4.197 1.00 0.00 H new ATOM 0 HA MET A 62 18.350 0.261 -4.805 1.00 0.00 H new ATOM 0 HB2 MET A 62 17.873 -2.284 -6.422 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.863 -0.956 -6.995 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.257 -1.148 -4.872 1.00 0.00 H new ATOM 0 HG3 MET A 62 19.318 -2.559 -4.425 1.00 0.00 H new ATOM 0 HE1 MET A 62 20.321 -5.359 -6.664 1.00 0.00 H new ATOM 0 HE2 MET A 62 19.832 -4.833 -5.036 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.807 -4.450 -6.439 1.00 0.00 H new ATOM 1067 N LEU A 63 15.563 -0.433 -6.433 1.00 0.00 N ATOM 1068 CA LEU A 63 14.526 0.223 -7.288 1.00 0.00 C ATOM 1069 C LEU A 63 13.766 1.253 -6.439 1.00 0.00 C ATOM 1070 O LEU A 63 13.183 2.187 -6.955 1.00 0.00 O ATOM 1071 CB LEU A 63 13.553 -0.842 -7.843 1.00 0.00 C ATOM 1072 CG LEU A 63 14.082 -1.471 -9.158 1.00 0.00 C ATOM 1073 CD1 LEU A 63 13.897 -0.506 -10.346 1.00 0.00 C ATOM 1074 CD2 LEU A 63 15.572 -1.844 -9.021 1.00 0.00 C ATOM 0 H LEU A 63 15.347 -1.383 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 63 15.000 0.726 -8.131 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.406 -1.624 -7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.579 -0.387 -8.023 1.00 0.00 H new ATOM 0 HG LEU A 63 13.504 -2.375 -9.348 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.276 -0.972 -11.256 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.838 -0.279 -10.469 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.446 0.416 -10.155 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.924 -2.284 -9.954 1.00 0.00 H new ATOM 0 HD22 LEU A 63 16.152 -0.948 -8.800 1.00 0.00 H new ATOM 0 HD23 LEU A 63 15.694 -2.564 -8.212 1.00 0.00 H new ATOM 1086 N LEU A 64 13.780 1.102 -5.141 1.00 0.00 N ATOM 1087 CA LEU A 64 13.071 2.085 -4.273 1.00 0.00 C ATOM 1088 C LEU A 64 13.818 3.412 -4.355 1.00 0.00 C ATOM 1089 O LEU A 64 13.228 4.451 -4.534 1.00 0.00 O ATOM 1090 CB LEU A 64 13.029 1.565 -2.816 1.00 0.00 C ATOM 1091 CG LEU A 64 12.695 2.706 -1.800 1.00 0.00 C ATOM 1092 CD1 LEU A 64 11.797 2.163 -0.679 1.00 0.00 C ATOM 1093 CD2 LEU A 64 13.978 3.263 -1.153 1.00 0.00 C ATOM 0 H LEU A 64 14.250 0.344 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 64 12.043 2.222 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.282 0.775 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.991 1.122 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 64 12.188 3.499 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.569 2.964 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.870 1.782 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.314 1.358 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 64 13.717 4.055 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.495 2.463 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.631 3.665 -1.928 1.00 0.00 H new ATOM 1105 N ASP A 65 15.118 3.389 -4.239 1.00 0.00 N ATOM 1106 CA ASP A 65 15.890 4.663 -4.323 1.00 0.00 C ATOM 1107 C ASP A 65 15.448 5.434 -5.568 1.00 0.00 C ATOM 1108 O ASP A 65 15.398 6.648 -5.580 1.00 0.00 O ATOM 1109 CB ASP A 65 17.384 4.346 -4.421 1.00 0.00 C ATOM 1110 CG ASP A 65 18.193 5.633 -4.248 1.00 0.00 C ATOM 1111 OD1 ASP A 65 18.250 6.405 -5.192 1.00 0.00 O ATOM 1112 OD2 ASP A 65 18.741 5.825 -3.176 1.00 0.00 O ATOM 0 H ASP A 65 15.677 2.549 -4.091 1.00 0.00 H new ATOM 0 HA ASP A 65 15.706 5.266 -3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.664 3.623 -3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.607 3.891 -5.386 1.00 0.00 H new ATOM 1117 N GLN A 66 15.120 4.728 -6.617 1.00 0.00 N ATOM 1118 CA GLN A 66 14.669 5.402 -7.870 1.00 0.00 C ATOM 1119 C GLN A 66 13.201 5.822 -7.749 1.00 0.00 C ATOM 1120 O GLN A 66 12.827 6.914 -8.128 1.00 0.00 O ATOM 1121 CB GLN A 66 14.827 4.438 -9.049 1.00 0.00 C ATOM 1122 CG GLN A 66 16.307 4.103 -9.238 1.00 0.00 C ATOM 1123 CD GLN A 66 16.473 3.202 -10.464 1.00 0.00 C ATOM 1124 OE1 GLN A 66 15.549 2.524 -10.865 1.00 0.00 O ATOM 1125 NE2 GLN A 66 17.622 3.168 -11.083 1.00 0.00 N ATOM 0 H GLN A 66 15.145 3.709 -6.660 1.00 0.00 H new ATOM 0 HA GLN A 66 15.278 6.291 -8.034 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.257 3.527 -8.867 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.426 4.888 -9.957 1.00 0.00 H new ATOM 0 HG2 GLN A 66 16.885 5.018 -9.365 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.694 3.603 -8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 66 18.399 3.737 -10.747 1.00 0.00 H new ATOM 0 HE22 GLN A 66 17.742 2.572 -11.902 1.00 0.00 H new ATOM 1134 N LYS A 67 12.360 4.961 -7.241 1.00 0.00 N ATOM 1135 CA LYS A 67 10.914 5.317 -7.120 1.00 0.00 C ATOM 1136 C LYS A 67 10.717 6.337 -5.994 1.00 0.00 C ATOM 1137 O LYS A 67 10.162 7.398 -6.195 1.00 0.00 O ATOM 1138 CB LYS A 67 10.107 4.056 -6.809 1.00 0.00 C ATOM 1139 CG LYS A 67 10.167 3.101 -8.002 1.00 0.00 C ATOM 1140 CD LYS A 67 9.238 1.912 -7.751 1.00 0.00 C ATOM 1141 CE LYS A 67 9.469 0.846 -8.825 1.00 0.00 C ATOM 1142 NZ LYS A 67 9.525 1.496 -10.165 1.00 0.00 N ATOM 0 H LYS A 67 12.609 4.030 -6.906 1.00 0.00 H new ATOM 0 HA LYS A 67 10.573 5.752 -8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.505 3.568 -5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.072 4.319 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.871 3.621 -8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.189 2.752 -8.151 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.425 1.493 -6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.199 2.240 -7.767 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.399 0.312 -8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.667 0.109 -8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.325 0.790 -10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.817 2.256 -10.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.473 1.896 -10.317 1.00 0.00 H new ATOM 1156 N TYR A 68 11.177 6.028 -4.813 1.00 0.00 N ATOM 1157 CA TYR A 68 11.027 6.978 -3.671 1.00 0.00 C ATOM 1158 C TYR A 68 11.544 8.356 -4.106 1.00 0.00 C ATOM 1159 O TYR A 68 10.954 9.377 -3.814 1.00 0.00 O ATOM 1160 CB TYR A 68 11.839 6.447 -2.467 1.00 0.00 C ATOM 1161 CG TYR A 68 12.189 7.569 -1.509 1.00 0.00 C ATOM 1162 CD1 TYR A 68 13.291 8.390 -1.781 1.00 0.00 C ATOM 1163 CD2 TYR A 68 11.418 7.790 -0.362 1.00 0.00 C ATOM 1164 CE1 TYR A 68 13.622 9.430 -0.908 1.00 0.00 C ATOM 1165 CE2 TYR A 68 11.752 8.830 0.512 1.00 0.00 C ATOM 1166 CZ TYR A 68 12.853 9.651 0.239 1.00 0.00 C ATOM 1167 OH TYR A 68 13.180 10.677 1.103 1.00 0.00 O ATOM 0 H TYR A 68 11.653 5.154 -4.587 1.00 0.00 H new ATOM 0 HA TYR A 68 9.981 7.067 -3.378 1.00 0.00 H new ATOM 0 HB2 TYR A 68 11.263 5.684 -1.944 1.00 0.00 H new ATOM 0 HB3 TYR A 68 12.752 5.969 -2.822 1.00 0.00 H new ATOM 0 HD1 TYR A 68 13.885 8.219 -2.666 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.567 7.159 -0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 68 14.471 10.063 -1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.160 9.000 1.399 1.00 0.00 H new ATOM 0 HH TYR A 68 12.544 10.693 1.848 1.00 0.00 H new ATOM 1177 N ALA A 69 12.640 8.382 -4.803 1.00 0.00 N ATOM 1178 CA ALA A 69 13.207 9.675 -5.263 1.00 0.00 C ATOM 1179 C ALA A 69 12.129 10.459 -6.015 1.00 0.00 C ATOM 1180 O ALA A 69 12.068 11.670 -5.955 1.00 0.00 O ATOM 1181 CB ALA A 69 14.388 9.391 -6.195 1.00 0.00 C ATOM 0 H ALA A 69 13.172 7.556 -5.076 1.00 0.00 H new ATOM 0 HA ALA A 69 13.547 10.262 -4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.814 10.333 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.148 8.825 -5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.044 8.813 -7.052 1.00 0.00 H new ATOM 1187 N GLU A 70 11.281 9.767 -6.728 1.00 0.00 N ATOM 1188 CA GLU A 70 10.196 10.442 -7.498 1.00 0.00 C ATOM 1189 C GLU A 70 8.917 10.505 -6.657 1.00 0.00 C ATOM 1190 O GLU A 70 8.338 11.556 -6.466 1.00 0.00 O ATOM 1191 CB GLU A 70 9.930 9.632 -8.771 1.00 0.00 C ATOM 1192 CG GLU A 70 11.082 9.832 -9.759 1.00 0.00 C ATOM 1193 CD GLU A 70 10.804 9.039 -11.037 1.00 0.00 C ATOM 1194 OE1 GLU A 70 9.737 9.217 -11.601 1.00 0.00 O ATOM 1195 OE2 GLU A 70 11.662 8.265 -11.430 1.00 0.00 O ATOM 0 H GLU A 70 11.294 8.750 -6.811 1.00 0.00 H new ATOM 0 HA GLU A 70 10.500 11.458 -7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.827 8.575 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.990 9.947 -9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.194 10.891 -9.993 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.020 9.503 -9.311 1.00 0.00 H new ATOM 1202 N TYR A 71 8.456 9.377 -6.182 1.00 0.00 N ATOM 1203 CA TYR A 71 7.193 9.346 -5.384 1.00 0.00 C ATOM 1204 C TYR A 71 7.453 9.695 -3.915 1.00 0.00 C ATOM 1205 O TYR A 71 6.697 10.425 -3.305 1.00 0.00 O ATOM 1206 CB TYR A 71 6.583 7.949 -5.482 1.00 0.00 C ATOM 1207 CG TYR A 71 6.362 7.600 -6.937 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.218 8.063 -7.598 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.298 6.817 -7.626 1.00 0.00 C ATOM 1210 CE1 TYR A 71 5.008 7.744 -8.945 1.00 0.00 C ATOM 1211 CE2 TYR A 71 7.089 6.499 -8.973 1.00 0.00 C ATOM 1212 CZ TYR A 71 5.944 6.962 -9.633 1.00 0.00 C ATOM 1213 OH TYR A 71 5.737 6.648 -10.961 1.00 0.00 O ATOM 0 H TYR A 71 8.903 8.470 -6.313 1.00 0.00 H new ATOM 0 HA TYR A 71 6.506 10.090 -5.787 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.244 7.218 -5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.638 7.914 -4.940 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.496 8.667 -7.068 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.181 6.459 -7.117 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.124 8.101 -9.453 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.811 5.896 -9.504 1.00 0.00 H new ATOM 0 HH TYR A 71 6.481 6.100 -11.287 1.00 0.00 H new ATOM 1223 N GLY A 72 8.499 9.180 -3.330 1.00 0.00 N ATOM 1224 CA GLY A 72 8.780 9.484 -1.892 1.00 0.00 C ATOM 1225 C GLY A 72 8.063 8.450 -1.018 1.00 0.00 C ATOM 1226 O GLY A 72 7.710 7.385 -1.484 1.00 0.00 O ATOM 0 H GLY A 72 9.173 8.562 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.853 9.458 -1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.438 10.489 -1.645 1.00 0.00 H new ATOM 1230 N PRO A 73 7.849 8.749 0.240 1.00 0.00 N ATOM 1231 CA PRO A 73 7.163 7.808 1.177 1.00 0.00 C ATOM 1232 C PRO A 73 5.720 7.492 0.752 1.00 0.00 C ATOM 1233 O PRO A 73 4.886 7.168 1.575 1.00 0.00 O ATOM 1234 CB PRO A 73 7.191 8.538 2.543 1.00 0.00 C ATOM 1235 CG PRO A 73 8.230 9.612 2.397 1.00 0.00 C ATOM 1236 CD PRO A 73 8.236 9.996 0.914 1.00 0.00 C ATOM 0 HA PRO A 73 7.663 6.839 1.200 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.216 8.964 2.782 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.446 7.852 3.351 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.992 10.473 3.022 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.210 9.252 2.711 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.532 10.802 0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.219 10.339 0.591 1.00 0.00 H new ATOM 1244 N LYS A 74 5.412 7.571 -0.517 1.00 0.00 N ATOM 1245 CA LYS A 74 4.022 7.261 -0.964 1.00 0.00 C ATOM 1246 C LYS A 74 3.925 5.764 -1.249 1.00 0.00 C ATOM 1247 O LYS A 74 3.718 5.345 -2.370 1.00 0.00 O ATOM 1248 CB LYS A 74 3.720 8.048 -2.237 1.00 0.00 C ATOM 1249 CG LYS A 74 3.502 9.524 -1.895 1.00 0.00 C ATOM 1250 CD LYS A 74 3.335 10.329 -3.185 1.00 0.00 C ATOM 1251 CE LYS A 74 3.359 11.825 -2.861 1.00 0.00 C ATOM 1252 NZ LYS A 74 2.434 12.103 -1.727 1.00 0.00 N ATOM 0 H LYS A 74 6.060 7.835 -1.259 1.00 0.00 H new ATOM 0 HA LYS A 74 3.304 7.537 -0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.545 7.947 -2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.833 7.643 -2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.618 9.636 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.349 9.905 -1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.135 10.085 -3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.395 10.066 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.371 12.136 -2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.062 12.402 -3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.172 13.110 -1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.577 11.522 -1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.906 11.872 -0.829 1.00 0.00 H new ATOM 1266 N TRP A 75 4.086 4.955 -0.240 1.00 0.00 N ATOM 1267 CA TRP A 75 4.022 3.486 -0.440 1.00 0.00 C ATOM 1268 C TRP A 75 2.699 3.106 -1.114 1.00 0.00 C ATOM 1269 O TRP A 75 2.482 1.968 -1.479 1.00 0.00 O ATOM 1270 CB TRP A 75 4.145 2.785 0.917 1.00 0.00 C ATOM 1271 CG TRP A 75 5.139 3.508 1.777 1.00 0.00 C ATOM 1272 CD1 TRP A 75 4.859 4.065 2.976 1.00 0.00 C ATOM 1273 CD2 TRP A 75 6.555 3.769 1.530 1.00 0.00 C ATOM 1274 NE1 TRP A 75 6.013 4.619 3.496 1.00 0.00 N ATOM 1275 CE2 TRP A 75 7.083 4.469 2.641 1.00 0.00 C ATOM 1276 CE3 TRP A 75 7.427 3.462 0.469 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 8.423 4.851 2.698 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.775 3.849 0.522 1.00 0.00 C ATOM 1279 CH2 TRP A 75 9.273 4.541 1.634 1.00 0.00 C ATOM 0 H TRP A 75 4.260 5.253 0.720 1.00 0.00 H new ATOM 0 HA TRP A 75 4.843 3.170 -1.084 1.00 0.00 H new ATOM 0 HB2 TRP A 75 3.174 2.759 1.412 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.458 1.751 0.775 1.00 0.00 H new ATOM 0 HD1 TRP A 75 3.889 4.075 3.451 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.066 5.083 4.403 1.00 0.00 H new ATOM 0 HE3 TRP A 75 7.056 2.925 -0.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.801 5.383 3.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.433 3.612 -0.300 1.00 0.00 H new ATOM 0 HH2 TRP A 75 10.312 4.834 1.668 1.00 0.00 H new ATOM 1290 N ASN A 76 1.823 4.051 -1.288 1.00 0.00 N ATOM 1291 CA ASN A 76 0.522 3.749 -1.945 1.00 0.00 C ATOM 1292 C ASN A 76 0.770 3.508 -3.433 1.00 0.00 C ATOM 1293 O ASN A 76 0.148 2.669 -4.051 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.430 4.933 -1.768 1.00 0.00 C ATOM 1295 CG ASN A 76 -1.776 4.607 -2.417 1.00 0.00 C ATOM 1296 OD1 ASN A 76 -1.995 4.910 -3.573 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -2.694 3.999 -1.717 1.00 0.00 N ATOM 0 H ASN A 76 1.950 5.022 -1.004 1.00 0.00 H new ATOM 0 HA ASN A 76 0.074 2.863 -1.494 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.568 5.147 -0.708 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.003 5.828 -2.221 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.595 3.778 -2.140 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.510 3.745 -0.746 1.00 0.00 H new ATOM 1304 N LYS A 77 1.691 4.236 -4.006 1.00 0.00 N ATOM 1305 CA LYS A 77 2.007 4.053 -5.452 1.00 0.00 C ATOM 1306 C LYS A 77 3.021 2.918 -5.580 1.00 0.00 C ATOM 1307 O LYS A 77 2.979 2.132 -6.502 1.00 0.00 O ATOM 1308 CB LYS A 77 2.610 5.354 -6.008 1.00 0.00 C ATOM 1309 CG LYS A 77 1.497 6.371 -6.300 1.00 0.00 C ATOM 1310 CD LYS A 77 0.622 6.569 -5.054 1.00 0.00 C ATOM 1311 CE LYS A 77 -0.247 7.817 -5.225 1.00 0.00 C ATOM 1312 NZ LYS A 77 -1.254 7.877 -4.128 1.00 0.00 N ATOM 0 H LYS A 77 2.240 4.953 -3.532 1.00 0.00 H new ATOM 0 HA LYS A 77 1.104 3.812 -6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.316 5.772 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.169 5.144 -6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.934 7.323 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.885 6.023 -7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.009 5.694 -4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.250 6.670 -4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.376 8.711 -5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.749 7.794 -6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.084 8.416 -4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.545 6.912 -3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.836 8.345 -3.298 1.00 0.00 H new ATOM 1326 N ILE A 78 3.933 2.828 -4.655 1.00 0.00 N ATOM 1327 CA ILE A 78 4.950 1.747 -4.715 1.00 0.00 C ATOM 1328 C ILE A 78 4.258 0.396 -4.514 1.00 0.00 C ATOM 1329 O ILE A 78 4.397 -0.507 -5.309 1.00 0.00 O ATOM 1330 CB ILE A 78 5.986 1.968 -3.604 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.364 3.456 -3.534 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.240 1.133 -3.882 1.00 0.00 C ATOM 1333 CD1 ILE A 78 6.750 3.989 -4.919 1.00 0.00 C ATOM 0 H ILE A 78 4.017 3.459 -3.858 1.00 0.00 H new ATOM 0 HA ILE A 78 5.450 1.758 -5.684 1.00 0.00 H new ATOM 0 HB ILE A 78 5.555 1.659 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.525 4.030 -3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.196 3.592 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.969 1.296 -3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.973 0.077 -3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.671 1.431 -4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.013 5.044 -4.842 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.604 3.429 -5.299 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.908 3.874 -5.601 1.00 0.00 H new ATOM 1345 N SER A 79 3.512 0.262 -3.453 1.00 0.00 N ATOM 1346 CA SER A 79 2.803 -1.022 -3.181 1.00 0.00 C ATOM 1347 C SER A 79 2.077 -1.513 -4.436 1.00 0.00 C ATOM 1348 O SER A 79 1.827 -2.691 -4.593 1.00 0.00 O ATOM 1349 CB SER A 79 1.776 -0.804 -2.070 1.00 0.00 C ATOM 1350 OG SER A 79 0.781 0.102 -2.527 1.00 0.00 O ATOM 0 H SER A 79 3.361 0.992 -2.757 1.00 0.00 H new ATOM 0 HA SER A 79 3.537 -1.769 -2.880 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.320 -1.753 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.264 -0.408 -1.179 1.00 0.00 H new ATOM 0 HG SER A 79 1.042 1.018 -2.297 1.00 0.00 H new ATOM 1356 N LYS A 80 1.727 -0.627 -5.330 1.00 0.00 N ATOM 1357 CA LYS A 80 1.009 -1.062 -6.565 1.00 0.00 C ATOM 1358 C LYS A 80 2.027 -1.642 -7.544 1.00 0.00 C ATOM 1359 O LYS A 80 1.704 -2.452 -8.390 1.00 0.00 O ATOM 1360 CB LYS A 80 0.246 0.155 -7.164 1.00 0.00 C ATOM 1361 CG LYS A 80 0.925 0.712 -8.430 1.00 0.00 C ATOM 1362 CD LYS A 80 0.252 2.026 -8.833 1.00 0.00 C ATOM 1363 CE LYS A 80 0.764 2.462 -10.206 1.00 0.00 C ATOM 1364 NZ LYS A 80 0.185 3.791 -10.554 1.00 0.00 N ATOM 0 H LYS A 80 1.906 0.375 -5.260 1.00 0.00 H new ATOM 0 HA LYS A 80 0.275 -1.836 -6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.775 -0.143 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.180 0.943 -6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.986 0.877 -8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.852 -0.011 -9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.830 1.899 -8.860 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.464 2.797 -8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.853 2.518 -10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.488 1.725 -10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.533 4.088 -11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.852 3.722 -10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.470 4.491 -9.840 1.00 0.00 H new ATOM 1378 N PHE A 81 3.261 -1.238 -7.425 1.00 0.00 N ATOM 1379 CA PHE A 81 4.305 -1.771 -8.334 1.00 0.00 C ATOM 1380 C PHE A 81 4.695 -3.155 -7.821 1.00 0.00 C ATOM 1381 O PHE A 81 5.428 -3.885 -8.460 1.00 0.00 O ATOM 1382 CB PHE A 81 5.526 -0.825 -8.325 1.00 0.00 C ATOM 1383 CG PHE A 81 5.356 0.258 -9.376 1.00 0.00 C ATOM 1384 CD1 PHE A 81 5.567 -0.047 -10.726 1.00 0.00 C ATOM 1385 CD2 PHE A 81 4.990 1.559 -9.003 1.00 0.00 C ATOM 1386 CE1 PHE A 81 5.413 0.946 -11.702 1.00 0.00 C ATOM 1387 CE2 PHE A 81 4.835 2.551 -9.979 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.046 2.244 -11.328 1.00 0.00 C ATOM 0 H PHE A 81 3.589 -0.561 -6.736 1.00 0.00 H new ATOM 0 HA PHE A 81 3.938 -1.841 -9.358 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.637 -0.372 -7.340 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.436 -1.392 -8.520 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.849 -1.049 -11.015 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.827 1.796 -7.962 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.577 0.710 -12.743 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.553 3.553 -9.691 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.926 3.009 -12.081 1.00 0.00 H new ATOM 1398 N LEU A 82 4.201 -3.512 -6.661 1.00 0.00 N ATOM 1399 CA LEU A 82 4.526 -4.854 -6.066 1.00 0.00 C ATOM 1400 C LEU A 82 3.321 -5.788 -6.211 1.00 0.00 C ATOM 1401 O LEU A 82 3.395 -6.808 -6.865 1.00 0.00 O ATOM 1402 CB LEU A 82 4.863 -4.682 -4.579 1.00 0.00 C ATOM 1403 CG LEU A 82 5.792 -3.477 -4.391 1.00 0.00 C ATOM 1404 CD1 LEU A 82 6.108 -3.305 -2.908 1.00 0.00 C ATOM 1405 CD2 LEU A 82 7.094 -3.691 -5.174 1.00 0.00 C ATOM 0 H LEU A 82 3.583 -2.931 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 82 5.380 -5.285 -6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.948 -4.540 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.342 -5.584 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 82 5.296 -2.581 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.769 -2.448 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.183 -3.140 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.599 -4.204 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.748 -2.830 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.594 -4.589 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.867 -3.806 -6.234 1.00 0.00 H new ATOM 1417 N LYS A 83 2.219 -5.452 -5.595 1.00 0.00 N ATOM 1418 CA LYS A 83 1.011 -6.316 -5.677 1.00 0.00 C ATOM 1419 C LYS A 83 1.268 -7.569 -4.844 1.00 0.00 C ATOM 1420 O LYS A 83 0.504 -8.514 -4.866 1.00 0.00 O ATOM 1421 CB LYS A 83 0.735 -6.677 -7.156 1.00 0.00 C ATOM 1422 CG LYS A 83 -0.775 -6.841 -7.408 1.00 0.00 C ATOM 1423 CD LYS A 83 -1.040 -6.987 -8.916 1.00 0.00 C ATOM 1424 CE LYS A 83 -0.689 -5.682 -9.665 1.00 0.00 C ATOM 1425 NZ LYS A 83 -1.552 -5.566 -10.875 1.00 0.00 N ATOM 0 H LYS A 83 2.106 -4.608 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 83 0.134 -5.798 -5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.134 -5.898 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.253 -7.601 -7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.148 -7.717 -6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.314 -5.978 -7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.449 -7.811 -9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.088 -7.237 -9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.839 -4.822 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.363 -5.685 -9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.320 -4.689 -11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.387 -6.382 -11.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.551 -5.546 -10.588 1.00 0.00 H new ATOM 1439 N ASN A 84 2.351 -7.566 -4.102 1.00 0.00 N ATOM 1440 CA ASN A 84 2.705 -8.733 -3.236 1.00 0.00 C ATOM 1441 C ASN A 84 2.903 -8.248 -1.798 1.00 0.00 C ATOM 1442 O ASN A 84 2.962 -9.033 -0.873 1.00 0.00 O ATOM 1443 CB ASN A 84 4.001 -9.371 -3.747 1.00 0.00 C ATOM 1444 CG ASN A 84 3.728 -10.104 -5.062 1.00 0.00 C ATOM 1445 OD1 ASN A 84 4.086 -11.255 -5.216 1.00 0.00 O ATOM 1446 ND2 ASN A 84 3.104 -9.480 -6.025 1.00 0.00 N ATOM 0 H ASN A 84 3.013 -6.791 -4.061 1.00 0.00 H new ATOM 0 HA ASN A 84 1.904 -9.471 -3.265 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.761 -8.604 -3.897 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.393 -10.067 -3.005 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.917 -9.959 -6.906 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.803 -8.514 -5.896 1.00 0.00 H new ATOM 1453 N ARG A 85 2.999 -6.953 -1.606 1.00 0.00 N ATOM 1454 CA ARG A 85 3.185 -6.384 -0.232 1.00 0.00 C ATOM 1455 C ARG A 85 2.197 -5.244 -0.034 1.00 0.00 C ATOM 1456 O ARG A 85 1.282 -5.061 -0.813 1.00 0.00 O ATOM 1457 CB ARG A 85 4.617 -5.857 -0.078 1.00 0.00 C ATOM 1458 CG ARG A 85 5.639 -7.025 -0.179 1.00 0.00 C ATOM 1459 CD ARG A 85 6.230 -7.102 -1.594 1.00 0.00 C ATOM 1460 NE ARG A 85 6.894 -8.423 -1.783 1.00 0.00 N ATOM 1461 CZ ARG A 85 7.298 -8.787 -2.970 1.00 0.00 C ATOM 1462 NH1 ARG A 85 7.121 -7.994 -3.992 1.00 0.00 N ATOM 1463 NH2 ARG A 85 7.881 -9.943 -3.135 1.00 0.00 N ATOM 0 H ARG A 85 2.956 -6.258 -2.352 1.00 0.00 H new ATOM 0 HA ARG A 85 3.011 -7.159 0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.824 -5.117 -0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.725 -5.353 0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.438 -6.880 0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.149 -7.967 0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.443 -6.969 -2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.949 -6.297 -1.744 1.00 0.00 H new ATOM 0 HE ARG A 85 7.033 -9.043 -0.985 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.667 -7.090 -3.863 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.437 -8.279 -4.919 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.021 -10.562 -2.337 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.197 -10.227 -4.062 1.00 0.00 H new ATOM 1477 N SER A 86 2.361 -4.491 1.020 1.00 0.00 N ATOM 1478 CA SER A 86 1.426 -3.367 1.307 1.00 0.00 C ATOM 1479 C SER A 86 2.210 -2.163 1.783 1.00 0.00 C ATOM 1480 O SER A 86 3.402 -2.184 1.924 1.00 0.00 O ATOM 1481 CB SER A 86 0.460 -3.766 2.419 1.00 0.00 C ATOM 1482 OG SER A 86 -0.243 -2.613 2.862 1.00 0.00 O ATOM 0 H SER A 86 3.111 -4.609 1.701 1.00 0.00 H new ATOM 0 HA SER A 86 0.877 -3.131 0.396 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.241 -4.517 2.056 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.007 -4.215 3.249 1.00 0.00 H new ATOM 0 HG SER A 86 -0.825 -2.289 2.143 1.00 0.00 H new ATOM 1488 N ASP A 87 1.516 -1.126 2.053 1.00 0.00 N ATOM 1489 CA ASP A 87 2.164 0.115 2.543 1.00 0.00 C ATOM 1490 C ASP A 87 2.620 -0.104 3.981 1.00 0.00 C ATOM 1491 O ASP A 87 3.575 0.490 4.442 1.00 0.00 O ATOM 1492 CB ASP A 87 1.164 1.273 2.483 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.154 0.844 3.130 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.226 0.860 4.348 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -1.069 0.507 2.397 1.00 0.00 O ATOM 0 H ASP A 87 0.502 -1.070 1.957 1.00 0.00 H new ATOM 0 HA ASP A 87 3.024 0.359 1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.568 2.144 2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.994 1.567 1.447 1.00 0.00 H new ATOM 1500 N ASN A 88 1.944 -0.962 4.687 1.00 0.00 N ATOM 1501 CA ASN A 88 2.330 -1.243 6.096 1.00 0.00 C ATOM 1502 C ASN A 88 3.593 -2.103 6.105 1.00 0.00 C ATOM 1503 O ASN A 88 4.405 -2.015 7.002 1.00 0.00 O ATOM 1504 CB ASN A 88 1.195 -1.994 6.797 1.00 0.00 C ATOM 1505 CG ASN A 88 1.580 -2.255 8.254 1.00 0.00 C ATOM 1506 OD1 ASN A 88 1.776 -1.332 9.018 1.00 0.00 O ATOM 1507 ND2 ASN A 88 1.698 -3.485 8.674 1.00 0.00 N ATOM 0 H ASN A 88 1.136 -1.484 4.348 1.00 0.00 H new ATOM 0 HA ASN A 88 2.519 -0.306 6.620 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.276 -1.410 6.752 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.999 -2.937 6.287 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.955 -3.670 9.644 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.533 -4.261 8.033 1.00 0.00 H new ATOM 1514 N ASN A 89 3.770 -2.933 5.109 1.00 0.00 N ATOM 1515 CA ASN A 89 4.981 -3.795 5.055 1.00 0.00 C ATOM 1516 C ASN A 89 6.138 -2.992 4.466 1.00 0.00 C ATOM 1517 O ASN A 89 7.283 -3.155 4.837 1.00 0.00 O ATOM 1518 CB ASN A 89 4.680 -4.989 4.156 1.00 0.00 C ATOM 1519 CG ASN A 89 5.773 -6.046 4.312 1.00 0.00 C ATOM 1520 OD1 ASN A 89 6.325 -6.213 5.383 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.112 -6.769 3.285 1.00 0.00 N ATOM 0 H ASN A 89 3.123 -3.049 4.329 1.00 0.00 H new ATOM 0 HA ASN A 89 5.251 -4.138 6.054 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.711 -5.415 4.415 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.619 -4.667 3.117 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.841 -7.476 3.378 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.649 -6.629 2.387 1.00 0.00 H new ATOM 1528 N ILE A 90 5.833 -2.126 3.545 1.00 0.00 N ATOM 1529 CA ILE A 90 6.886 -1.294 2.907 1.00 0.00 C ATOM 1530 C ILE A 90 7.306 -0.203 3.885 1.00 0.00 C ATOM 1531 O ILE A 90 8.469 -0.030 4.186 1.00 0.00 O ATOM 1532 CB ILE A 90 6.299 -0.666 1.640 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.877 -1.789 0.662 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.341 0.240 0.973 1.00 0.00 C ATOM 1535 CD1 ILE A 90 4.855 -1.284 -0.371 1.00 0.00 C ATOM 0 H ILE A 90 4.887 -1.957 3.203 1.00 0.00 H new ATOM 0 HA ILE A 90 7.756 -1.897 2.648 1.00 0.00 H new ATOM 0 HB ILE A 90 5.428 -0.066 1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.757 -2.173 0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.448 -2.619 1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.915 0.683 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.631 1.031 1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.219 -0.349 0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.582 -2.099 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.965 -0.924 0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.294 -0.471 -0.949 1.00 0.00 H new ATOM 1547 N ARG A 91 6.354 0.523 4.393 1.00 0.00 N ATOM 1548 CA ARG A 91 6.674 1.594 5.370 1.00 0.00 C ATOM 1549 C ARG A 91 7.399 0.967 6.557 1.00 0.00 C ATOM 1550 O ARG A 91 8.242 1.574 7.184 1.00 0.00 O ATOM 1551 CB ARG A 91 5.367 2.229 5.859 1.00 0.00 C ATOM 1552 CG ARG A 91 5.669 3.493 6.675 1.00 0.00 C ATOM 1553 CD ARG A 91 4.419 3.912 7.454 1.00 0.00 C ATOM 1554 NE ARG A 91 4.618 5.279 8.014 1.00 0.00 N ATOM 1555 CZ ARG A 91 3.705 5.809 8.781 1.00 0.00 C ATOM 1556 NH1 ARG A 91 2.617 5.144 9.059 1.00 0.00 N ATOM 1557 NH2 ARG A 91 3.880 7.007 9.269 1.00 0.00 N ATOM 0 H ARG A 91 5.364 0.420 4.172 1.00 0.00 H new ATOM 0 HA ARG A 91 7.302 2.354 4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.734 2.479 5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.813 1.516 6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.493 3.305 7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.984 4.299 6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.548 3.899 6.799 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.224 3.203 8.258 1.00 0.00 H new ATOM 0 HE ARG A 91 5.468 5.800 7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.479 4.208 8.677 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.904 5.560 9.659 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.730 7.528 9.051 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.167 7.423 9.869 1.00 0.00 H new ATOM 1571 N ASN A 92 7.050 -0.247 6.874 1.00 0.00 N ATOM 1572 CA ASN A 92 7.684 -0.945 8.033 1.00 0.00 C ATOM 1573 C ASN A 92 8.997 -1.605 7.613 1.00 0.00 C ATOM 1574 O ASN A 92 9.974 -1.568 8.336 1.00 0.00 O ATOM 1575 CB ASN A 92 6.731 -2.020 8.561 1.00 0.00 C ATOM 1576 CG ASN A 92 7.372 -2.729 9.755 1.00 0.00 C ATOM 1577 OD1 ASN A 92 6.941 -2.565 10.878 1.00 0.00 O ATOM 1578 ND2 ASN A 92 8.394 -3.519 9.558 1.00 0.00 N ATOM 0 H ASN A 92 6.346 -0.793 6.377 1.00 0.00 H new ATOM 0 HA ASN A 92 7.891 -0.210 8.811 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.785 -1.568 8.858 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.507 -2.740 7.774 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.829 -3.997 10.347 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.757 -3.658 8.615 1.00 0.00 H new ATOM 1585 N ARG A 93 9.034 -2.226 6.464 1.00 0.00 N ATOM 1586 CA ARG A 93 10.294 -2.899 6.033 1.00 0.00 C ATOM 1587 C ARG A 93 11.311 -1.853 5.575 1.00 0.00 C ATOM 1588 O ARG A 93 12.504 -2.018 5.741 1.00 0.00 O ATOM 1589 CB ARG A 93 9.985 -3.869 4.892 1.00 0.00 C ATOM 1590 CG ARG A 93 11.250 -4.651 4.522 1.00 0.00 C ATOM 1591 CD ARG A 93 10.877 -5.836 3.630 1.00 0.00 C ATOM 1592 NE ARG A 93 12.113 -6.422 3.038 1.00 0.00 N ATOM 1593 CZ ARG A 93 12.954 -7.078 3.792 1.00 0.00 C ATOM 1594 NH1 ARG A 93 12.707 -7.230 5.064 1.00 0.00 N ATOM 1595 NH2 ARG A 93 14.037 -7.585 3.272 1.00 0.00 N ATOM 0 H ARG A 93 8.254 -2.296 5.810 1.00 0.00 H new ATOM 0 HA ARG A 93 10.716 -3.453 6.871 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.195 -4.557 5.191 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.618 -3.320 4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.954 -4.000 4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.748 -5.005 5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.347 -6.590 4.212 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.201 -5.511 2.839 1.00 0.00 H new ATOM 0 HE ARG A 93 12.303 -6.311 2.042 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.858 -6.837 5.469 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.363 -7.742 5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.227 -7.469 2.277 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.694 -8.097 3.861 1.00 0.00 H new ATOM 1609 N TRP A 94 10.853 -0.773 5.006 1.00 0.00 N ATOM 1610 CA TRP A 94 11.792 0.287 4.546 1.00 0.00 C ATOM 1611 C TRP A 94 12.306 1.068 5.757 1.00 0.00 C ATOM 1612 O TRP A 94 13.476 1.376 5.854 1.00 0.00 O ATOM 1613 CB TRP A 94 11.064 1.242 3.598 1.00 0.00 C ATOM 1614 CG TRP A 94 12.013 2.302 3.136 1.00 0.00 C ATOM 1615 CD1 TRP A 94 13.061 2.098 2.306 1.00 0.00 C ATOM 1616 CD2 TRP A 94 12.021 3.721 3.466 1.00 0.00 C ATOM 1617 NE1 TRP A 94 13.711 3.302 2.103 1.00 0.00 N ATOM 1618 CE2 TRP A 94 13.108 4.332 2.797 1.00 0.00 C ATOM 1619 CE3 TRP A 94 11.199 4.529 4.272 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 13.370 5.697 2.923 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 11.461 5.903 4.402 1.00 0.00 C ATOM 1622 CH2 TRP A 94 12.544 6.486 3.728 1.00 0.00 C ATOM 0 H TRP A 94 9.866 -0.579 4.839 1.00 0.00 H new ATOM 0 HA TRP A 94 12.630 -0.173 4.023 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.670 0.693 2.743 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.213 1.696 4.105 1.00 0.00 H new ATOM 0 HD1 TRP A 94 13.344 1.150 1.873 1.00 0.00 H new ATOM 0 HE1 TRP A 94 14.535 3.415 1.513 1.00 0.00 H new ATOM 0 HE3 TRP A 94 10.361 4.091 4.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.206 6.141 2.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 10.825 6.514 5.025 1.00 0.00 H new ATOM 0 HH2 TRP A 94 12.739 7.543 3.831 1.00 0.00 H new ATOM 1633 N MET A 95 11.444 1.387 6.684 1.00 0.00 N ATOM 1634 CA MET A 95 11.894 2.143 7.885 1.00 0.00 C ATOM 1635 C MET A 95 12.774 1.237 8.750 1.00 0.00 C ATOM 1636 O MET A 95 13.586 1.701 9.524 1.00 0.00 O ATOM 1637 CB MET A 95 10.674 2.599 8.695 1.00 0.00 C ATOM 1638 CG MET A 95 9.981 3.760 7.976 1.00 0.00 C ATOM 1639 SD MET A 95 8.509 4.252 8.906 1.00 0.00 S ATOM 1640 CE MET A 95 8.399 5.946 8.277 1.00 0.00 C ATOM 0 H MET A 95 10.451 1.157 6.661 1.00 0.00 H new ATOM 0 HA MET A 95 12.464 3.018 7.573 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.978 1.769 8.821 1.00 0.00 H new ATOM 0 HB3 MET A 95 10.983 2.910 9.693 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.664 4.604 7.883 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.703 3.462 6.965 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.542 6.447 8.728 1.00 0.00 H new ATOM 0 HE2 MET A 95 9.310 6.488 8.530 1.00 0.00 H new ATOM 0 HE3 MET A 95 8.278 5.925 7.194 1.00 0.00 H new ATOM 1650 N MET A 96 12.625 -0.055 8.617 1.00 0.00 N ATOM 1651 CA MET A 96 13.457 -0.994 9.421 1.00 0.00 C ATOM 1652 C MET A 96 14.823 -1.128 8.759 1.00 0.00 C ATOM 1653 O MET A 96 15.846 -1.159 9.415 1.00 0.00 O ATOM 1654 CB MET A 96 12.777 -2.363 9.472 1.00 0.00 C ATOM 1655 CG MET A 96 13.527 -3.271 10.448 1.00 0.00 C ATOM 1656 SD MET A 96 12.681 -4.867 10.558 1.00 0.00 S ATOM 1657 CE MET A 96 13.525 -5.468 12.042 1.00 0.00 C ATOM 0 H MET A 96 11.961 -0.500 7.984 1.00 0.00 H new ATOM 0 HA MET A 96 13.572 -0.613 10.436 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.739 -2.253 9.786 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.764 -2.811 8.479 1.00 0.00 H new ATOM 0 HG2 MET A 96 14.554 -3.414 10.112 1.00 0.00 H new ATOM 0 HG3 MET A 96 13.575 -2.804 11.432 1.00 0.00 H new ATOM 0 HE1 MET A 96 13.150 -6.459 12.297 1.00 0.00 H new ATOM 0 HE2 MET A 96 14.597 -5.523 11.854 1.00 0.00 H new ATOM 0 HE3 MET A 96 13.336 -4.784 12.870 1.00 0.00 H new ATOM 1667 N ILE A 97 14.847 -1.210 7.454 1.00 0.00 N ATOM 1668 CA ILE A 97 16.143 -1.344 6.731 1.00 0.00 C ATOM 1669 C ILE A 97 16.751 0.041 6.522 1.00 0.00 C ATOM 1670 O ILE A 97 17.954 0.198 6.452 1.00 0.00 O ATOM 1671 CB ILE A 97 15.907 -2.005 5.372 1.00 0.00 C ATOM 1672 CG1 ILE A 97 15.285 -3.391 5.583 1.00 0.00 C ATOM 1673 CG2 ILE A 97 17.242 -2.149 4.636 1.00 0.00 C ATOM 1674 CD1 ILE A 97 14.808 -3.953 4.242 1.00 0.00 C ATOM 0 H ILE A 97 14.020 -1.190 6.857 1.00 0.00 H new ATOM 0 HA ILE A 97 16.824 -1.959 7.319 1.00 0.00 H new ATOM 0 HB ILE A 97 15.231 -1.389 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 97 16.016 -4.064 6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.448 -3.322 6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 97 17.075 -2.620 3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.684 -1.164 4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 97 17.919 -2.766 5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 97 14.367 -4.938 4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 97 14.062 -3.285 3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 97 15.655 -4.038 3.561 1.00 0.00 H new ATOM 1686 N ALA A 98 15.930 1.050 6.419 1.00 0.00 N ATOM 1687 CA ALA A 98 16.465 2.423 6.212 1.00 0.00 C ATOM 1688 C ALA A 98 17.094 2.917 7.513 1.00 0.00 C ATOM 1689 O ALA A 98 17.852 3.867 7.529 1.00 0.00 O ATOM 1690 CB ALA A 98 15.330 3.364 5.804 1.00 0.00 C ATOM 0 H ALA A 98 14.914 0.982 6.469 1.00 0.00 H new ATOM 0 HA ALA A 98 17.217 2.406 5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 98 15.726 4.368 5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.879 3.009 4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.575 3.386 6.590 1.00 0.00 H new ATOM 1696 N ARG A 99 16.786 2.278 8.609 1.00 0.00 N ATOM 1697 CA ARG A 99 17.357 2.700 9.902 1.00 0.00 C ATOM 1698 C ARG A 99 18.849 2.379 9.908 1.00 0.00 C ATOM 1699 O ARG A 99 19.616 2.936 10.667 1.00 0.00 O ATOM 1700 CB ARG A 99 16.644 1.929 11.018 1.00 0.00 C ATOM 1701 CG ARG A 99 16.834 2.639 12.361 1.00 0.00 C ATOM 1702 CD ARG A 99 16.031 1.910 13.442 1.00 0.00 C ATOM 1703 NE ARG A 99 16.758 0.676 13.854 1.00 0.00 N ATOM 1704 CZ ARG A 99 16.216 -0.148 14.710 1.00 0.00 C ATOM 1705 NH1 ARG A 99 15.035 0.107 15.204 1.00 0.00 N ATOM 1706 NH2 ARG A 99 16.854 -1.226 15.071 1.00 0.00 N ATOM 0 H ARG A 99 16.157 1.476 8.656 1.00 0.00 H new ATOM 0 HA ARG A 99 17.223 3.771 10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 99 15.581 1.846 10.790 1.00 0.00 H new ATOM 0 HB3 ARG A 99 17.038 0.914 11.077 1.00 0.00 H new ATOM 0 HG2 ARG A 99 17.891 2.658 12.628 1.00 0.00 H new ATOM 0 HG3 ARG A 99 16.506 3.676 12.286 1.00 0.00 H new ATOM 0 HD2 ARG A 99 15.884 2.562 14.303 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.042 1.653 13.064 1.00 0.00 H new ATOM 0 HE ARG A 99 17.680 0.475 13.467 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.535 0.950 14.921 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.612 -0.537 15.873 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.777 -1.426 14.685 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.431 -1.869 15.740 1.00 0.00 H new