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 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 76 ASN : amide:sc= -7.2! C(o=-12!,f=-1.9!) USER MOD Set 2.2: A 80 LYS NZ :NH3+ 164:sc= -5.25! (180deg=-0.245) USER MOD Set 3.1: A 44 ASN : amide:sc= -5.54! C(o=-9!,f=-11!) USER MOD Set 3.2: A 48 ASN : amide:sc= -3.5 K(o=-9,f=-7.7) USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= -0.0426 (180deg=-0.582) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= -0.129 (180deg=-0.886) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 14 GLN : amide:sc= -0.56 K(o=-0.56,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 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 103:sc= 1.23 USER MOD Single : A 29 GLN : amide:sc= -0.0446 K(o=-0.045,f=-0.93) USER MOD Single : A 31 MET CE :methyl 171:sc= 0 (180deg=-0.0266) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.2) USER MOD Single : A 38 GLN : amide:sc= -0.37 K(o=-0.37,f=-2.9!) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.1! X(o=-1.1!,f=-1.4) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 57 SER OG : rot 180:sc= -0.794 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 67 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.281) 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 79 SER OG : rot 102:sc= -0.219 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -2.1! K(o=-2.1!,f=-0.11) USER MOD Single : A 86 SER OG : rot 171:sc= -6.24! USER MOD Single : A 88 ASN : amide:sc= -0.595 K(o=-0.59,f=-2.3) USER MOD Single : A 89 ASN : amide:sc= -4.14! C(o=-4.1!,f=-3.4!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) 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 -5.436 8.300 -0.794 1.00 0.00 N ATOM 42 CA LYS A 3 -6.071 9.528 -0.238 1.00 0.00 C ATOM 43 C LYS A 3 -6.723 9.215 1.118 1.00 0.00 C ATOM 44 O LYS A 3 -6.508 9.917 2.086 1.00 0.00 O ATOM 45 CB LYS A 3 -7.132 10.041 -1.227 1.00 0.00 C ATOM 46 CG LYS A 3 -6.466 10.835 -2.360 1.00 0.00 C ATOM 47 CD LYS A 3 -5.386 9.978 -3.033 1.00 0.00 C ATOM 48 CE LYS A 3 -4.959 10.629 -4.351 1.00 0.00 C ATOM 49 NZ LYS A 3 -4.755 12.089 -4.142 1.00 0.00 N ATOM 0 HA LYS A 3 -5.311 10.295 -0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.689 9.201 -1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.850 10.673 -0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.214 11.135 -3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.023 11.749 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.526 9.874 -2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.768 8.974 -3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.039 10.171 -4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.720 10.463 -5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.186 12.475 -4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.678 12.568 -4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.258 12.245 -3.242 1.00 0.00 H new ATOM 63 N PHE A 4 -7.524 8.180 1.207 1.00 0.00 N ATOM 64 CA PHE A 4 -8.170 7.875 2.518 1.00 0.00 C ATOM 65 C PHE A 4 -7.108 7.447 3.537 1.00 0.00 C ATOM 66 O PHE A 4 -6.002 7.084 3.189 1.00 0.00 O ATOM 67 CB PHE A 4 -9.269 6.804 2.391 1.00 0.00 C ATOM 68 CG PHE A 4 -8.854 5.656 1.482 1.00 0.00 C ATOM 69 CD1 PHE A 4 -7.813 4.791 1.854 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.535 5.443 0.272 1.00 0.00 C ATOM 71 CE1 PHE A 4 -7.457 3.725 1.012 1.00 0.00 C ATOM 72 CE2 PHE A 4 -9.178 4.378 -0.563 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.140 3.522 -0.194 1.00 0.00 C ATOM 0 H PHE A 4 -7.754 7.545 0.443 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.657 8.786 2.868 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.508 6.413 3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.177 7.263 2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.287 4.945 2.785 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.339 6.105 -0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.655 3.060 1.295 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.705 4.219 -1.492 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.863 2.702 -0.839 1.00 0.00 H new ATOM 83 N THR A 5 -7.443 7.518 4.799 1.00 0.00 N ATOM 84 CA THR A 5 -6.473 7.152 5.874 1.00 0.00 C ATOM 85 C THR A 5 -6.511 5.656 6.144 1.00 0.00 C ATOM 86 O THR A 5 -7.450 4.964 5.802 1.00 0.00 O ATOM 87 CB THR A 5 -6.809 7.897 7.163 1.00 0.00 C ATOM 88 OG1 THR A 5 -6.019 7.378 8.224 1.00 0.00 O ATOM 89 CG2 THR A 5 -8.287 7.712 7.492 1.00 0.00 C ATOM 0 H THR A 5 -8.358 7.818 5.134 1.00 0.00 H new ATOM 0 HA THR A 5 -5.475 7.432 5.537 1.00 0.00 H new ATOM 0 HB THR A 5 -6.599 8.959 7.035 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.231 7.855 9.053 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.524 8.245 8.413 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.893 8.108 6.677 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.501 6.651 7.621 1.00 0.00 H new ATOM 97 N GLU A 6 -5.482 5.162 6.760 1.00 0.00 N ATOM 98 CA GLU A 6 -5.412 3.708 7.077 1.00 0.00 C ATOM 99 C GLU A 6 -6.718 3.258 7.737 1.00 0.00 C ATOM 100 O GLU A 6 -7.239 2.210 7.429 1.00 0.00 O ATOM 101 CB GLU A 6 -4.236 3.446 8.025 1.00 0.00 C ATOM 102 CG GLU A 6 -4.405 4.271 9.306 1.00 0.00 C ATOM 103 CD GLU A 6 -3.101 4.249 10.106 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.333 3.318 9.926 1.00 0.00 O ATOM 105 OE2 GLU A 6 -2.891 5.164 10.886 1.00 0.00 O ATOM 0 H GLU A 6 -4.674 5.707 7.063 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.266 3.145 6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.184 2.385 8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.298 3.707 7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.673 5.298 9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.219 3.866 9.907 1.00 0.00 H new ATOM 112 N GLU A 7 -7.260 4.041 8.636 1.00 0.00 N ATOM 113 CA GLU A 7 -8.538 3.641 9.304 1.00 0.00 C ATOM 114 C GLU A 7 -9.558 3.219 8.239 1.00 0.00 C ATOM 115 O GLU A 7 -10.317 2.276 8.412 1.00 0.00 O ATOM 116 CB GLU A 7 -9.094 4.825 10.099 1.00 0.00 C ATOM 117 CG GLU A 7 -8.033 5.329 11.080 1.00 0.00 C ATOM 118 CD GLU A 7 -7.738 4.244 12.117 1.00 0.00 C ATOM 119 OE1 GLU A 7 -8.468 4.171 13.092 1.00 0.00 O ATOM 120 OE2 GLU A 7 -6.789 3.504 11.918 1.00 0.00 O ATOM 0 H GLU A 7 -6.875 4.937 8.936 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.348 2.808 9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.386 5.626 9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.990 4.523 10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.121 5.591 10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.382 6.235 11.576 1.00 0.00 H new ATOM 127 N GLU A 8 -9.571 3.899 7.129 1.00 0.00 N ATOM 128 CA GLU A 8 -10.519 3.535 6.054 1.00 0.00 C ATOM 129 C GLU A 8 -10.136 2.164 5.514 1.00 0.00 C ATOM 130 O GLU A 8 -10.962 1.286 5.375 1.00 0.00 O ATOM 131 CB GLU A 8 -10.409 4.571 4.941 1.00 0.00 C ATOM 132 CG GLU A 8 -11.595 4.451 3.983 1.00 0.00 C ATOM 133 CD GLU A 8 -12.869 4.937 4.677 1.00 0.00 C ATOM 134 OE1 GLU A 8 -12.787 5.908 5.411 1.00 0.00 O ATOM 135 OE2 GLU A 8 -13.904 4.331 4.461 1.00 0.00 O ATOM 0 H GLU A 8 -8.963 4.692 6.924 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.541 3.508 6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.379 5.573 5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.476 4.430 4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.411 5.041 3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.715 3.415 3.665 1.00 0.00 H new ATOM 142 N ASP A 9 -8.874 1.983 5.210 1.00 0.00 N ATOM 143 CA ASP A 9 -8.404 0.669 4.668 1.00 0.00 C ATOM 144 C ASP A 9 -8.995 -0.473 5.500 1.00 0.00 C ATOM 145 O ASP A 9 -9.215 -1.564 5.012 1.00 0.00 O ATOM 146 CB ASP A 9 -6.876 0.598 4.732 1.00 0.00 C ATOM 147 CG ASP A 9 -6.407 -0.764 4.221 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.751 -1.105 3.103 1.00 0.00 O ATOM 149 OD2 ASP A 9 -5.717 -1.446 4.961 1.00 0.00 O ATOM 0 H ASP A 9 -8.147 2.691 5.314 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.730 0.575 3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.439 1.394 4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.537 0.750 5.757 1.00 0.00 H new ATOM 154 N LEU A 10 -9.265 -0.222 6.750 1.00 0.00 N ATOM 155 CA LEU A 10 -9.853 -1.285 7.610 1.00 0.00 C ATOM 156 C LEU A 10 -11.320 -1.454 7.215 1.00 0.00 C ATOM 157 O LEU A 10 -11.823 -2.554 7.087 1.00 0.00 O ATOM 158 CB LEU A 10 -9.744 -0.884 9.095 1.00 0.00 C ATOM 159 CG LEU A 10 -8.444 -0.116 9.333 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.300 0.199 10.820 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.247 -0.951 8.863 1.00 0.00 C ATOM 0 H LEU A 10 -9.104 0.673 7.213 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.316 -2.224 7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.597 -0.268 9.378 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.771 -1.774 9.724 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.471 0.815 8.766 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.373 0.747 10.988 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.144 0.806 11.147 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.280 -0.731 11.389 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.325 -0.396 9.037 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.216 -1.888 9.419 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.347 -1.164 7.799 1.00 0.00 H new ATOM 173 N LYS A 11 -12.010 -0.368 7.003 1.00 0.00 N ATOM 174 CA LYS A 11 -13.437 -0.478 6.601 1.00 0.00 C ATOM 175 C LYS A 11 -13.532 -1.357 5.351 1.00 0.00 C ATOM 176 O LYS A 11 -14.545 -1.966 5.081 1.00 0.00 O ATOM 177 CB LYS A 11 -13.996 0.914 6.296 1.00 0.00 C ATOM 178 CG LYS A 11 -14.117 1.710 7.598 1.00 0.00 C ATOM 179 CD LYS A 11 -14.748 3.073 7.307 1.00 0.00 C ATOM 180 CE LYS A 11 -15.098 3.766 8.625 1.00 0.00 C ATOM 181 NZ LYS A 11 -16.128 2.967 9.348 1.00 0.00 N ATOM 0 H LYS A 11 -11.650 0.582 7.090 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.016 -0.923 7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.342 1.436 5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.971 0.829 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.726 1.162 8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.133 1.842 8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.057 3.690 6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.645 2.948 6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.205 3.871 9.241 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.472 4.771 8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.688 3.595 9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.755 2.504 8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.660 2.244 9.931 1.00 0.00 H new ATOM 195 N LEU A 12 -12.473 -1.425 4.587 1.00 0.00 N ATOM 196 CA LEU A 12 -12.486 -2.255 3.356 1.00 0.00 C ATOM 197 C LEU A 12 -12.335 -3.733 3.714 1.00 0.00 C ATOM 198 O LEU A 12 -13.068 -4.560 3.238 1.00 0.00 O ATOM 199 CB LEU A 12 -11.331 -1.832 2.443 1.00 0.00 C ATOM 200 CG LEU A 12 -11.232 -0.307 2.406 1.00 0.00 C ATOM 201 CD1 LEU A 12 -10.135 0.106 1.419 1.00 0.00 C ATOM 202 CD2 LEU A 12 -12.576 0.295 1.972 1.00 0.00 C ATOM 0 H LEU A 12 -11.596 -0.936 4.768 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.436 -2.110 2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.395 -2.258 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.490 -2.220 1.437 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.985 0.063 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.062 1.193 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.181 -0.314 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.381 -0.267 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.497 1.382 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.835 -0.072 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.351 0.003 2.680 1.00 0.00 H new ATOM 214 N GLN A 13 -11.385 -4.092 4.532 1.00 0.00 N ATOM 215 CA GLN A 13 -11.222 -5.543 4.842 1.00 0.00 C ATOM 216 C GLN A 13 -12.567 -6.128 5.306 1.00 0.00 C ATOM 217 O GLN A 13 -12.856 -7.281 5.072 1.00 0.00 O ATOM 218 CB GLN A 13 -10.121 -5.733 5.917 1.00 0.00 C ATOM 219 CG GLN A 13 -10.701 -5.652 7.340 1.00 0.00 C ATOM 220 CD GLN A 13 -9.571 -5.452 8.354 1.00 0.00 C ATOM 221 OE1 GLN A 13 -8.451 -5.864 8.123 1.00 0.00 O ATOM 222 NE2 GLN A 13 -9.820 -4.833 9.476 1.00 0.00 N ATOM 0 H GLN A 13 -10.727 -3.462 4.991 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.910 -6.078 3.945 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.636 -6.699 5.775 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.353 -4.969 5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.411 -4.827 7.406 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.251 -6.565 7.570 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.760 -4.487 9.670 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.075 -4.695 10.159 1.00 0.00 H new ATOM 231 N GLN A 14 -13.403 -5.344 5.938 1.00 0.00 N ATOM 232 CA GLN A 14 -14.727 -5.889 6.385 1.00 0.00 C ATOM 233 C GLN A 14 -15.729 -5.893 5.224 1.00 0.00 C ATOM 234 O GLN A 14 -16.251 -6.921 4.847 1.00 0.00 O ATOM 235 CB GLN A 14 -15.299 -5.020 7.497 1.00 0.00 C ATOM 236 CG GLN A 14 -14.272 -4.863 8.624 1.00 0.00 C ATOM 237 CD GLN A 14 -14.951 -4.269 9.860 1.00 0.00 C ATOM 238 OE1 GLN A 14 -14.497 -4.464 10.969 1.00 0.00 O ATOM 239 NE2 GLN A 14 -16.029 -3.547 9.714 1.00 0.00 N ATOM 0 H GLN A 14 -13.233 -4.364 6.163 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.567 -6.907 6.740 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.569 -4.041 7.101 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.212 -5.469 7.887 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.834 -5.831 8.868 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.457 -4.217 8.299 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.411 -3.383 8.782 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.489 -3.147 10.532 1.00 0.00 H new ATOM 248 N LEU A 15 -16.010 -4.747 4.662 1.00 0.00 N ATOM 249 CA LEU A 15 -16.988 -4.690 3.537 1.00 0.00 C ATOM 250 C LEU A 15 -16.503 -5.625 2.431 1.00 0.00 C ATOM 251 O LEU A 15 -17.237 -6.454 1.932 1.00 0.00 O ATOM 252 CB LEU A 15 -17.082 -3.236 3.019 1.00 0.00 C ATOM 253 CG LEU A 15 -18.184 -2.471 3.769 1.00 0.00 C ATOM 254 CD1 LEU A 15 -17.885 -2.462 5.271 1.00 0.00 C ATOM 255 CD2 LEU A 15 -18.238 -1.030 3.256 1.00 0.00 C ATOM 0 H LEU A 15 -15.606 -3.851 4.933 1.00 0.00 H new ATOM 0 HA LEU A 15 -17.978 -5.004 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -16.125 -2.733 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.294 -3.237 1.950 1.00 0.00 H new ATOM 0 HG LEU A 15 -19.142 -2.962 3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.671 -1.918 5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.845 -3.487 5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.926 -1.975 5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -19.019 -0.484 3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -17.276 -0.546 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.457 -1.032 2.188 1.00 0.00 H new ATOM 267 N VAL A 16 -15.262 -5.507 2.063 1.00 0.00 N ATOM 268 CA VAL A 16 -14.699 -6.389 1.010 1.00 0.00 C ATOM 269 C VAL A 16 -14.984 -7.843 1.383 1.00 0.00 C ATOM 270 O VAL A 16 -15.280 -8.659 0.536 1.00 0.00 O ATOM 271 CB VAL A 16 -13.188 -6.154 0.906 1.00 0.00 C ATOM 272 CG1 VAL A 16 -12.601 -7.057 -0.182 1.00 0.00 C ATOM 273 CG2 VAL A 16 -12.912 -4.676 0.558 1.00 0.00 C ATOM 0 H VAL A 16 -14.606 -4.829 2.452 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.156 -6.167 0.046 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.721 -6.390 1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.527 -6.888 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.788 -8.101 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.070 -6.826 -1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.837 -4.514 0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.381 -4.433 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.323 -4.036 1.338 1.00 0.00 H new ATOM 283 N MET A 17 -14.919 -8.179 2.649 1.00 0.00 N ATOM 284 CA MET A 17 -15.214 -9.577 3.045 1.00 0.00 C ATOM 285 C MET A 17 -16.669 -9.892 2.686 1.00 0.00 C ATOM 286 O MET A 17 -16.997 -10.995 2.294 1.00 0.00 O ATOM 287 CB MET A 17 -15.005 -9.720 4.557 1.00 0.00 C ATOM 288 CG MET A 17 -14.937 -11.196 4.950 1.00 0.00 C ATOM 289 SD MET A 17 -16.587 -11.935 4.859 1.00 0.00 S ATOM 290 CE MET A 17 -16.056 -13.659 4.731 1.00 0.00 C ATOM 0 H MET A 17 -14.676 -7.548 3.413 1.00 0.00 H new ATOM 0 HA MET A 17 -14.553 -10.269 2.524 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.085 -9.216 4.852 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.821 -9.232 5.091 1.00 0.00 H new ATOM 0 HG2 MET A 17 -14.254 -11.727 4.286 1.00 0.00 H new ATOM 0 HG3 MET A 17 -14.540 -11.294 5.960 1.00 0.00 H new ATOM 0 HE1 MET A 17 -16.931 -14.305 4.662 1.00 0.00 H new ATOM 0 HE2 MET A 17 -15.441 -13.785 3.840 1.00 0.00 H new ATOM 0 HE3 MET A 17 -15.475 -13.927 5.614 1.00 0.00 H new ATOM 300 N ARG A 18 -17.547 -8.931 2.822 1.00 0.00 N ATOM 301 CA ARG A 18 -18.980 -9.181 2.493 1.00 0.00 C ATOM 302 C ARG A 18 -19.164 -9.238 0.972 1.00 0.00 C ATOM 303 O ARG A 18 -19.951 -10.010 0.462 1.00 0.00 O ATOM 304 CB ARG A 18 -19.836 -8.050 3.065 1.00 0.00 C ATOM 305 CG ARG A 18 -21.317 -8.405 2.917 1.00 0.00 C ATOM 306 CD ARG A 18 -22.169 -7.343 3.614 1.00 0.00 C ATOM 307 NE ARG A 18 -21.981 -7.443 5.089 1.00 0.00 N ATOM 308 CZ ARG A 18 -22.737 -6.748 5.894 1.00 0.00 C ATOM 309 NH1 ARG A 18 -23.657 -5.961 5.408 1.00 0.00 N ATOM 310 NH2 ARG A 18 -22.570 -6.837 7.186 1.00 0.00 N ATOM 0 H ARG A 18 -17.333 -7.988 3.146 1.00 0.00 H new ATOM 0 HA ARG A 18 -19.287 -10.132 2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.593 -7.891 4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.621 -7.117 2.543 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.584 -8.465 1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.512 -9.385 3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -21.886 -6.349 3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -23.220 -7.481 3.361 1.00 0.00 H new ATOM 0 HE ARG A 18 -21.260 -8.056 5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -23.785 -5.889 4.399 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -24.248 -5.418 6.037 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -21.849 -7.450 7.566 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -23.161 -6.294 7.815 1.00 0.00 H new ATOM 324 N TYR A 19 -18.448 -8.419 0.242 1.00 0.00 N ATOM 325 CA TYR A 19 -18.582 -8.414 -1.249 1.00 0.00 C ATOM 326 C TYR A 19 -17.516 -9.322 -1.863 1.00 0.00 C ATOM 327 O TYR A 19 -17.456 -9.504 -3.064 1.00 0.00 O ATOM 328 CB TYR A 19 -18.380 -6.988 -1.762 1.00 0.00 C ATOM 329 CG TYR A 19 -19.370 -6.068 -1.079 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.730 -6.160 -1.395 1.00 0.00 C ATOM 331 CD2 TYR A 19 -18.937 -5.137 -0.124 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.657 -5.326 -0.757 1.00 0.00 C ATOM 333 CE2 TYR A 19 -19.864 -4.301 0.511 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.224 -4.397 0.195 1.00 0.00 C ATOM 335 OH TYR A 19 -22.138 -3.575 0.822 1.00 0.00 O ATOM 0 H TYR A 19 -17.774 -7.751 0.615 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.572 -8.775 -1.528 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.361 -6.658 -1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.520 -6.954 -2.842 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -21.065 -6.875 -2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.888 -5.065 0.122 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.707 -5.400 -1.000 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.529 -3.582 1.244 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.672 -2.990 1.455 1.00 0.00 H new ATOM 345 N GLY A 20 -16.666 -9.882 -1.050 1.00 0.00 N ATOM 346 CA GLY A 20 -15.591 -10.768 -1.576 1.00 0.00 C ATOM 347 C GLY A 20 -14.458 -9.898 -2.114 1.00 0.00 C ATOM 348 O GLY A 20 -13.386 -9.854 -1.550 1.00 0.00 O ATOM 0 H GLY A 20 -16.670 -9.763 -0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.222 -11.423 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.983 -11.409 -2.366 1.00 0.00 H new ATOM 352 N ALA A 21 -14.715 -9.202 -3.198 1.00 0.00 N ATOM 353 CA ALA A 21 -13.696 -8.296 -3.831 1.00 0.00 C ATOM 354 C ALA A 21 -14.045 -8.126 -5.319 1.00 0.00 C ATOM 355 O ALA A 21 -13.214 -8.303 -6.188 1.00 0.00 O ATOM 356 CB ALA A 21 -12.274 -8.887 -3.692 1.00 0.00 C ATOM 0 H ALA A 21 -15.612 -9.224 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.712 -7.330 -3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.553 -8.214 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.031 -9.005 -2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.234 -9.859 -4.185 1.00 0.00 H new ATOM 362 N LYS A 22 -15.274 -7.797 -5.628 1.00 0.00 N ATOM 363 CA LYS A 22 -15.660 -7.632 -7.070 1.00 0.00 C ATOM 364 C LYS A 22 -16.810 -6.624 -7.232 1.00 0.00 C ATOM 365 O LYS A 22 -17.167 -6.277 -8.341 1.00 0.00 O ATOM 366 CB LYS A 22 -16.095 -8.987 -7.626 1.00 0.00 C ATOM 367 CG LYS A 22 -17.323 -9.488 -6.862 1.00 0.00 C ATOM 368 CD LYS A 22 -17.601 -10.945 -7.238 1.00 0.00 C ATOM 369 CE LYS A 22 -18.909 -11.400 -6.588 1.00 0.00 C ATOM 370 NZ LYS A 22 -19.188 -12.813 -6.969 1.00 0.00 N ATOM 0 H LYS A 22 -16.023 -7.636 -4.954 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.797 -7.252 -7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.326 -8.898 -8.687 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.281 -9.706 -7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.155 -9.404 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.189 -8.869 -7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.667 -11.046 -8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.779 -11.580 -6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.839 -11.312 -5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.729 -10.757 -6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.077 -13.123 -6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.272 -12.884 -8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.410 -13.421 -6.643 1.00 0.00 H new ATOM 384 N ASP A 23 -17.388 -6.142 -6.153 1.00 0.00 N ATOM 385 CA ASP A 23 -18.508 -5.145 -6.259 1.00 0.00 C ATOM 386 C ASP A 23 -17.994 -3.781 -5.801 1.00 0.00 C ATOM 387 O ASP A 23 -18.611 -3.107 -5.000 1.00 0.00 O ATOM 388 CB ASP A 23 -19.671 -5.586 -5.361 1.00 0.00 C ATOM 389 CG ASP A 23 -19.918 -7.085 -5.546 1.00 0.00 C ATOM 390 OD1 ASP A 23 -19.200 -7.863 -4.940 1.00 0.00 O ATOM 391 OD2 ASP A 23 -20.821 -7.429 -6.291 1.00 0.00 O ATOM 0 H ASP A 23 -17.131 -6.397 -5.199 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.857 -5.082 -7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.441 -5.370 -4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.571 -5.025 -5.611 1.00 0.00 H new ATOM 396 N TRP A 24 -16.863 -3.376 -6.302 1.00 0.00 N ATOM 397 CA TRP A 24 -16.296 -2.061 -5.897 1.00 0.00 C ATOM 398 C TRP A 24 -17.217 -0.943 -6.362 1.00 0.00 C ATOM 399 O TRP A 24 -17.108 0.186 -5.925 1.00 0.00 O ATOM 400 CB TRP A 24 -14.911 -1.900 -6.515 1.00 0.00 C ATOM 401 CG TRP A 24 -14.057 -3.010 -6.018 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.849 -4.189 -6.648 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.314 -3.066 -4.780 1.00 0.00 C ATOM 404 NE1 TRP A 24 -13.015 -4.966 -5.864 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.656 -4.312 -4.700 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.153 -2.155 -3.731 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -11.859 -4.641 -3.606 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.355 -2.478 -2.631 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.706 -3.717 -2.566 1.00 0.00 C ATOM 0 H TRP A 24 -16.305 -3.900 -6.976 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.210 -2.013 -4.811 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -14.974 -1.924 -7.603 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.481 -0.936 -6.242 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -14.264 -4.476 -7.603 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.704 -5.905 -6.114 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.649 -1.196 -3.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.364 -5.600 -3.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.238 -1.768 -1.826 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.088 -3.959 -1.714 1.00 0.00 H new ATOM 420 N ILE A 25 -18.142 -1.248 -7.225 1.00 0.00 N ATOM 421 CA ILE A 25 -19.084 -0.204 -7.689 1.00 0.00 C ATOM 422 C ILE A 25 -20.042 0.098 -6.543 1.00 0.00 C ATOM 423 O ILE A 25 -20.399 1.230 -6.302 1.00 0.00 O ATOM 424 CB ILE A 25 -19.862 -0.702 -8.922 1.00 0.00 C ATOM 425 CG1 ILE A 25 -20.282 -2.164 -8.727 1.00 0.00 C ATOM 426 CG2 ILE A 25 -18.974 -0.603 -10.167 1.00 0.00 C ATOM 427 CD1 ILE A 25 -21.244 -2.569 -9.846 1.00 0.00 C ATOM 0 H ILE A 25 -18.284 -2.175 -7.627 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.544 0.698 -7.977 1.00 0.00 H new ATOM 0 HB ILE A 25 -20.750 -0.083 -9.048 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.404 -2.810 -8.735 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -20.762 -2.290 -7.756 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -19.527 -0.956 -11.037 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -18.678 0.435 -10.321 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -18.084 -1.217 -10.029 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -21.544 -3.608 -9.710 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -22.126 -1.930 -9.816 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -20.748 -2.458 -10.810 1.00 0.00 H new ATOM 439 N ARG A 26 -20.444 -0.914 -5.817 1.00 0.00 N ATOM 440 CA ARG A 26 -21.370 -0.697 -4.682 1.00 0.00 C ATOM 441 C ARG A 26 -20.580 -0.147 -3.505 1.00 0.00 C ATOM 442 O ARG A 26 -20.940 0.847 -2.908 1.00 0.00 O ATOM 443 CB ARG A 26 -22.019 -2.026 -4.290 1.00 0.00 C ATOM 444 CG ARG A 26 -23.131 -1.770 -3.271 1.00 0.00 C ATOM 445 CD ARG A 26 -23.874 -3.077 -2.993 1.00 0.00 C ATOM 446 NE ARG A 26 -24.826 -2.878 -1.865 1.00 0.00 N ATOM 447 CZ ARG A 26 -25.741 -3.776 -1.616 1.00 0.00 C ATOM 448 NH1 ARG A 26 -25.821 -4.849 -2.355 1.00 0.00 N ATOM 449 NH2 ARG A 26 -26.574 -3.601 -0.627 1.00 0.00 N ATOM 0 H ARG A 26 -20.165 -1.883 -5.968 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.149 0.010 -4.967 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -22.427 -2.518 -5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.271 -2.697 -3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -22.709 -1.375 -2.347 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -23.823 -1.019 -3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -24.412 -3.398 -3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -23.163 -3.866 -2.748 1.00 0.00 H new ATOM 0 HE ARG A 26 -24.763 -2.040 -1.287 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -25.169 -4.986 -3.127 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -26.536 -5.550 -2.160 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.510 -2.763 -0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -27.289 -4.302 -0.432 1.00 0.00 H new ATOM 463 N ILE A 27 -19.495 -0.782 -3.165 1.00 0.00 N ATOM 464 CA ILE A 27 -18.683 -0.281 -2.029 1.00 0.00 C ATOM 465 C ILE A 27 -18.352 1.189 -2.264 1.00 0.00 C ATOM 466 O ILE A 27 -18.237 1.969 -1.339 1.00 0.00 O ATOM 467 CB ILE A 27 -17.386 -1.077 -1.922 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.718 -2.560 -1.758 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.594 -0.585 -0.708 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.439 -3.393 -1.861 1.00 0.00 C ATOM 0 H ILE A 27 -19.139 -1.621 -3.623 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.249 -0.395 -1.104 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.789 -0.939 -2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -18.197 -2.730 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.427 -2.870 -2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.666 -1.150 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.365 0.474 -0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.187 -0.728 0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.682 -4.449 -1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.978 -3.233 -2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.744 -3.091 -1.077 1.00 0.00 H new ATOM 482 N SER A 28 -18.200 1.572 -3.501 1.00 0.00 N ATOM 483 CA SER A 28 -17.879 2.990 -3.802 1.00 0.00 C ATOM 484 C SER A 28 -19.127 3.847 -3.576 1.00 0.00 C ATOM 485 O SER A 28 -19.033 5.002 -3.208 1.00 0.00 O ATOM 486 CB SER A 28 -17.409 3.110 -5.250 1.00 0.00 C ATOM 487 OG SER A 28 -16.133 2.495 -5.380 1.00 0.00 O ATOM 0 H SER A 28 -18.285 0.963 -4.315 1.00 0.00 H new ATOM 0 HA SER A 28 -17.083 3.338 -3.144 1.00 0.00 H new ATOM 0 HB2 SER A 28 -18.126 2.633 -5.918 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.352 4.159 -5.541 1.00 0.00 H new ATOM 0 HG SER A 28 -16.234 1.621 -5.811 1.00 0.00 H new ATOM 493 N GLN A 29 -20.300 3.297 -3.773 1.00 0.00 N ATOM 494 CA GLN A 29 -21.533 4.114 -3.540 1.00 0.00 C ATOM 495 C GLN A 29 -21.552 4.557 -2.077 1.00 0.00 C ATOM 496 O GLN A 29 -21.908 5.672 -1.757 1.00 0.00 O ATOM 497 CB GLN A 29 -22.802 3.296 -3.836 1.00 0.00 C ATOM 498 CG GLN A 29 -22.984 3.121 -5.350 1.00 0.00 C ATOM 499 CD GLN A 29 -24.402 2.621 -5.645 1.00 0.00 C ATOM 500 OE1 GLN A 29 -25.354 3.065 -5.035 1.00 0.00 O ATOM 501 NE2 GLN A 29 -24.581 1.710 -6.562 1.00 0.00 N ATOM 0 H GLN A 29 -20.457 2.337 -4.079 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.518 4.976 -4.207 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.733 2.320 -3.356 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.673 3.798 -3.414 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.809 4.069 -5.859 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -22.251 2.412 -5.735 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -23.781 1.338 -7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.521 1.370 -6.767 1.00 0.00 H new ATOM 510 N LEU A 30 -21.166 3.687 -1.186 1.00 0.00 N ATOM 511 CA LEU A 30 -21.155 4.059 0.256 1.00 0.00 C ATOM 512 C LEU A 30 -20.091 5.135 0.477 1.00 0.00 C ATOM 513 O LEU A 30 -20.291 6.080 1.213 1.00 0.00 O ATOM 514 CB LEU A 30 -20.829 2.820 1.106 1.00 0.00 C ATOM 515 CG LEU A 30 -21.574 1.598 0.558 1.00 0.00 C ATOM 516 CD1 LEU A 30 -21.342 0.409 1.491 1.00 0.00 C ATOM 517 CD2 LEU A 30 -23.076 1.899 0.471 1.00 0.00 C ATOM 0 H LEU A 30 -20.858 2.737 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.133 4.441 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -19.755 2.635 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -21.114 2.995 2.143 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.201 1.362 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.870 -0.464 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.275 0.193 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -21.716 0.649 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.600 1.026 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.457 2.137 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.239 2.747 -0.194 1.00 0.00 H new ATOM 529 N MET A 31 -18.959 4.984 -0.166 1.00 0.00 N ATOM 530 CA MET A 31 -17.842 5.977 -0.027 1.00 0.00 C ATOM 531 C MET A 31 -17.482 6.534 -1.408 1.00 0.00 C ATOM 532 O MET A 31 -16.357 6.432 -1.853 1.00 0.00 O ATOM 533 CB MET A 31 -16.618 5.276 0.567 1.00 0.00 C ATOM 534 CG MET A 31 -16.974 4.701 1.941 1.00 0.00 C ATOM 535 SD MET A 31 -15.653 3.591 2.490 1.00 0.00 S ATOM 536 CE MET A 31 -16.282 2.078 1.722 1.00 0.00 C ATOM 0 H MET A 31 -18.757 4.204 -0.791 1.00 0.00 H new ATOM 0 HA MET A 31 -18.155 6.792 0.626 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.285 4.479 -0.097 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.791 5.981 0.659 1.00 0.00 H new ATOM 0 HG2 MET A 31 -17.109 5.508 2.661 1.00 0.00 H new ATOM 0 HG3 MET A 31 -17.919 4.161 1.887 1.00 0.00 H new ATOM 0 HE1 MET A 31 -15.532 1.291 1.801 1.00 0.00 H new ATOM 0 HE2 MET A 31 -17.193 1.763 2.231 1.00 0.00 H new ATOM 0 HE3 MET A 31 -16.500 2.267 0.671 1.00 0.00 H new ATOM 546 N ILE A 32 -18.428 7.130 -2.086 1.00 0.00 N ATOM 547 CA ILE A 32 -18.137 7.700 -3.436 1.00 0.00 C ATOM 548 C ILE A 32 -16.917 8.617 -3.344 1.00 0.00 C ATOM 549 O ILE A 32 -16.339 9.005 -4.340 1.00 0.00 O ATOM 550 CB ILE A 32 -19.343 8.512 -3.915 1.00 0.00 C ATOM 551 CG1 ILE A 32 -19.771 9.478 -2.808 1.00 0.00 C ATOM 552 CG2 ILE A 32 -20.503 7.570 -4.242 1.00 0.00 C ATOM 553 CD1 ILE A 32 -20.922 10.350 -3.307 1.00 0.00 C ATOM 0 H ILE A 32 -19.389 7.247 -1.764 1.00 0.00 H new ATOM 0 HA ILE A 32 -17.937 6.891 -4.139 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.071 9.072 -4.810 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -20.080 8.920 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -18.929 10.104 -2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.359 8.152 -4.583 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.199 6.878 -5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.778 7.008 -3.349 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -21.226 11.038 -2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.597 10.919 -4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -21.766 9.717 -3.581 1.00 0.00 H new ATOM 565 N THR A 33 -16.529 8.969 -2.151 1.00 0.00 N ATOM 566 CA THR A 33 -15.353 9.865 -1.978 1.00 0.00 C ATOM 567 C THR A 33 -14.151 9.298 -2.736 1.00 0.00 C ATOM 568 O THR A 33 -13.130 9.943 -2.852 1.00 0.00 O ATOM 569 CB THR A 33 -15.012 9.974 -0.491 1.00 0.00 C ATOM 570 OG1 THR A 33 -14.532 8.721 -0.024 1.00 0.00 O ATOM 571 CG2 THR A 33 -16.264 10.368 0.295 1.00 0.00 C ATOM 0 H THR A 33 -16.978 8.673 -1.284 1.00 0.00 H new ATOM 0 HA THR A 33 -15.592 10.852 -2.373 1.00 0.00 H new ATOM 0 HB THR A 33 -14.244 10.734 -0.349 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.311 8.790 0.928 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.019 10.445 1.354 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.631 11.330 -0.064 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.035 9.610 0.155 1.00 0.00 H new ATOM 579 N ARG A 34 -14.260 8.097 -3.255 1.00 0.00 N ATOM 580 CA ARG A 34 -13.116 7.488 -4.011 1.00 0.00 C ATOM 581 C ARG A 34 -13.682 6.685 -5.189 1.00 0.00 C ATOM 582 O ARG A 34 -14.853 6.359 -5.223 1.00 0.00 O ATOM 583 CB ARG A 34 -12.305 6.566 -3.054 1.00 0.00 C ATOM 584 CG ARG A 34 -10.848 7.059 -2.921 1.00 0.00 C ATOM 585 CD ARG A 34 -10.791 8.433 -2.212 1.00 0.00 C ATOM 586 NE ARG A 34 -10.750 9.519 -3.235 1.00 0.00 N ATOM 587 CZ ARG A 34 -9.690 9.677 -3.980 1.00 0.00 C ATOM 588 NH1 ARG A 34 -8.669 8.877 -3.843 1.00 0.00 N ATOM 589 NH2 ARG A 34 -9.653 10.635 -4.866 1.00 0.00 N ATOM 0 H ARG A 34 -15.092 7.511 -3.188 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.450 8.262 -4.393 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.778 6.547 -2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.315 5.544 -3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.264 6.331 -2.358 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.395 7.136 -3.909 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.661 8.558 -1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.910 8.488 -1.572 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.552 10.139 -3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.698 8.126 -3.153 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.841 9.002 -4.426 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.452 11.259 -4.976 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.825 10.759 -5.449 1.00 0.00 H new ATOM 603 N ASN A 35 -12.860 6.372 -6.162 1.00 0.00 N ATOM 604 CA ASN A 35 -13.352 5.601 -7.346 1.00 0.00 C ATOM 605 C ASN A 35 -13.144 4.096 -7.113 1.00 0.00 C ATOM 606 O ASN A 35 -12.218 3.703 -6.432 1.00 0.00 O ATOM 607 CB ASN A 35 -12.572 6.040 -8.590 1.00 0.00 C ATOM 608 CG ASN A 35 -12.509 7.567 -8.640 1.00 0.00 C ATOM 609 OD1 ASN A 35 -11.605 8.131 -9.224 1.00 0.00 O ATOM 610 ND2 ASN A 35 -13.438 8.266 -8.047 1.00 0.00 N ATOM 0 H ASN A 35 -11.870 6.617 -6.187 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.415 5.795 -7.489 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.565 5.624 -8.566 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.054 5.656 -9.489 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.405 9.285 -8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.197 7.793 -7.557 1.00 0.00 H new ATOM 617 N PRO A 36 -13.979 3.246 -7.677 1.00 0.00 N ATOM 618 CA PRO A 36 -13.829 1.774 -7.509 1.00 0.00 C ATOM 619 C PRO A 36 -12.363 1.335 -7.643 1.00 0.00 C ATOM 620 O PRO A 36 -11.897 0.449 -6.956 1.00 0.00 O ATOM 621 CB PRO A 36 -14.669 1.201 -8.660 1.00 0.00 C ATOM 622 CG PRO A 36 -15.756 2.206 -8.874 1.00 0.00 C ATOM 623 CD PRO A 36 -15.148 3.575 -8.525 1.00 0.00 C ATOM 0 HA PRO A 36 -14.147 1.432 -6.524 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.069 1.069 -9.560 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.078 0.224 -8.403 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.106 2.187 -9.906 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.617 1.989 -8.241 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.850 4.119 -9.421 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.862 4.204 -7.993 1.00 0.00 H new ATOM 631 N ARG A 37 -11.649 1.952 -8.544 1.00 0.00 N ATOM 632 CA ARG A 37 -10.222 1.589 -8.763 1.00 0.00 C ATOM 633 C ARG A 37 -9.364 2.058 -7.583 1.00 0.00 C ATOM 634 O ARG A 37 -8.322 1.500 -7.302 1.00 0.00 O ATOM 635 CB ARG A 37 -9.722 2.260 -10.045 1.00 0.00 C ATOM 636 CG ARG A 37 -10.620 1.856 -11.216 1.00 0.00 C ATOM 637 CD ARG A 37 -10.087 2.479 -12.507 1.00 0.00 C ATOM 638 NE ARG A 37 -11.065 2.255 -13.608 1.00 0.00 N ATOM 639 CZ ARG A 37 -10.936 2.896 -14.738 1.00 0.00 C ATOM 640 NH1 ARG A 37 -9.950 3.735 -14.904 1.00 0.00 N ATOM 641 NH2 ARG A 37 -11.793 2.699 -15.702 1.00 0.00 N ATOM 0 H ARG A 37 -11.998 2.700 -9.144 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.143 0.505 -8.850 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.726 3.344 -9.927 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.692 1.965 -10.244 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.648 0.770 -11.308 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.643 2.187 -11.035 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.920 3.547 -12.366 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.125 2.038 -12.766 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.836 1.600 -13.479 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.280 3.890 -14.151 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.850 4.236 -15.787 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.564 2.044 -15.573 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.692 3.200 -16.585 1.00 0.00 H new ATOM 655 N GLN A 38 -9.778 3.095 -6.908 1.00 0.00 N ATOM 656 CA GLN A 38 -8.969 3.615 -5.766 1.00 0.00 C ATOM 657 C GLN A 38 -8.983 2.634 -4.593 1.00 0.00 C ATOM 658 O GLN A 38 -7.974 2.425 -3.951 1.00 0.00 O ATOM 659 CB GLN A 38 -9.536 4.961 -5.312 1.00 0.00 C ATOM 660 CG GLN A 38 -9.273 6.022 -6.390 1.00 0.00 C ATOM 661 CD GLN A 38 -7.797 6.425 -6.374 1.00 0.00 C ATOM 662 OE1 GLN A 38 -7.018 5.893 -5.607 1.00 0.00 O ATOM 663 NE2 GLN A 38 -7.378 7.348 -7.195 1.00 0.00 N ATOM 0 H GLN A 38 -10.641 3.605 -7.097 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.939 3.738 -6.100 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.607 4.872 -5.129 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.075 5.262 -4.371 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.542 5.631 -7.371 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.900 6.896 -6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.032 7.794 -7.838 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.396 7.624 -7.194 1.00 0.00 H new ATOM 672 N CYS A 39 -10.102 2.037 -4.283 1.00 0.00 N ATOM 673 CA CYS A 39 -10.123 1.088 -3.135 1.00 0.00 C ATOM 674 C CYS A 39 -9.689 -0.297 -3.615 1.00 0.00 C ATOM 675 O CYS A 39 -9.159 -1.089 -2.862 1.00 0.00 O ATOM 676 CB CYS A 39 -11.534 1.014 -2.579 1.00 0.00 C ATOM 677 SG CYS A 39 -12.146 2.686 -2.256 1.00 0.00 S ATOM 0 H CYS A 39 -10.991 2.163 -4.768 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.440 1.432 -2.358 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.189 0.506 -3.287 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.544 0.428 -1.660 1.00 0.00 H new ATOM 0 HG CYS A 39 -13.355 2.622 -1.782 1.00 0.00 H new ATOM 683 N ARG A 40 -9.908 -0.596 -4.865 1.00 0.00 N ATOM 684 CA ARG A 40 -9.503 -1.932 -5.390 1.00 0.00 C ATOM 685 C ARG A 40 -7.991 -2.085 -5.250 1.00 0.00 C ATOM 686 O ARG A 40 -7.503 -3.055 -4.715 1.00 0.00 O ATOM 687 CB ARG A 40 -9.898 -2.038 -6.873 1.00 0.00 C ATOM 688 CG ARG A 40 -9.291 -3.297 -7.525 1.00 0.00 C ATOM 689 CD ARG A 40 -9.670 -4.548 -6.728 1.00 0.00 C ATOM 690 NE ARG A 40 -9.433 -5.758 -7.564 1.00 0.00 N ATOM 691 CZ ARG A 40 -10.231 -6.030 -8.561 1.00 0.00 C ATOM 692 NH1 ARG A 40 -11.238 -5.243 -8.825 1.00 0.00 N ATOM 693 NH2 ARG A 40 -10.023 -7.090 -9.294 1.00 0.00 N ATOM 0 H ARG A 40 -10.348 0.024 -5.545 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.004 -2.719 -4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.984 -2.068 -6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.559 -1.150 -7.406 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.647 -3.390 -8.551 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.206 -3.203 -7.571 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.079 -4.603 -5.814 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.717 -4.499 -6.429 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.647 -6.374 -7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.402 -4.415 -8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.861 -5.456 -9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.237 -7.706 -9.088 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.647 -7.302 -10.073 1.00 0.00 H new ATOM 707 N GLU A 41 -7.244 -1.142 -5.742 1.00 0.00 N ATOM 708 CA GLU A 41 -5.761 -1.256 -5.649 1.00 0.00 C ATOM 709 C GLU A 41 -5.353 -1.443 -4.189 1.00 0.00 C ATOM 710 O GLU A 41 -4.303 -1.980 -3.893 1.00 0.00 O ATOM 711 CB GLU A 41 -5.088 -0.006 -6.235 1.00 0.00 C ATOM 712 CG GLU A 41 -5.644 1.266 -5.582 1.00 0.00 C ATOM 713 CD GLU A 41 -5.057 1.437 -4.179 1.00 0.00 C ATOM 714 OE1 GLU A 41 -3.846 1.375 -4.053 1.00 0.00 O ATOM 715 OE2 GLU A 41 -5.830 1.624 -3.254 1.00 0.00 O ATOM 0 H GLU A 41 -7.591 -0.300 -6.203 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.434 -2.121 -6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.011 -0.060 -6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.252 0.030 -7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.401 2.134 -6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.731 1.210 -5.525 1.00 0.00 H new ATOM 722 N ARG A 42 -6.167 -1.002 -3.270 1.00 0.00 N ATOM 723 CA ARG A 42 -5.807 -1.158 -1.832 1.00 0.00 C ATOM 724 C ARG A 42 -5.840 -2.646 -1.435 1.00 0.00 C ATOM 725 O ARG A 42 -4.874 -3.183 -0.929 1.00 0.00 O ATOM 726 CB ARG A 42 -6.810 -0.366 -0.983 1.00 0.00 C ATOM 727 CG ARG A 42 -6.281 -0.190 0.451 1.00 0.00 C ATOM 728 CD ARG A 42 -5.051 0.740 0.484 1.00 0.00 C ATOM 729 NE ARG A 42 -4.964 1.386 1.824 1.00 0.00 N ATOM 730 CZ ARG A 42 -3.883 2.030 2.172 1.00 0.00 C ATOM 731 NH1 ARG A 42 -2.876 2.107 1.346 1.00 0.00 N ATOM 732 NH2 ARG A 42 -3.810 2.596 3.346 1.00 0.00 N ATOM 0 H ARG A 42 -7.060 -0.543 -3.450 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.799 -0.779 -1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.986 0.610 -1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.768 -0.885 -0.962 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.068 0.221 1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.015 -1.163 0.865 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.144 0.171 0.281 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.132 1.499 -0.295 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.751 1.325 2.471 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.934 1.664 0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.031 2.610 1.617 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.597 2.535 3.991 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.965 3.099 3.618 1.00 0.00 H new ATOM 746 N TRP A 43 -6.945 -3.308 -1.651 1.00 0.00 N ATOM 747 CA TRP A 43 -7.064 -4.754 -1.281 1.00 0.00 C ATOM 748 C TRP A 43 -5.840 -5.541 -1.772 1.00 0.00 C ATOM 749 O TRP A 43 -5.265 -6.309 -1.029 1.00 0.00 O ATOM 750 CB TRP A 43 -8.420 -5.287 -1.851 1.00 0.00 C ATOM 751 CG TRP A 43 -8.274 -6.392 -2.862 1.00 0.00 C ATOM 752 CD1 TRP A 43 -7.727 -6.263 -4.091 1.00 0.00 C ATOM 753 CD2 TRP A 43 -8.726 -7.774 -2.764 1.00 0.00 C ATOM 754 NE1 TRP A 43 -7.797 -7.478 -4.746 1.00 0.00 N ATOM 755 CE2 TRP A 43 -8.403 -8.442 -3.970 1.00 0.00 C ATOM 756 CE3 TRP A 43 -9.369 -8.510 -1.752 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -8.709 -9.789 -4.166 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -9.679 -9.866 -1.946 1.00 0.00 C ATOM 759 CH2 TRP A 43 -9.350 -10.504 -3.150 1.00 0.00 C ATOM 0 H TRP A 43 -7.782 -2.906 -2.073 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.075 -4.885 -0.199 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.033 -5.646 -1.024 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.958 -4.458 -2.311 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.303 -5.356 -4.496 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.443 -7.641 -5.689 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.626 -8.029 -0.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -8.453 -10.276 -5.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.174 -10.421 -1.163 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.591 -11.547 -3.293 1.00 0.00 H new ATOM 770 N ASN A 44 -5.424 -5.363 -2.991 1.00 0.00 N ATOM 771 CA ASN A 44 -4.235 -6.125 -3.472 1.00 0.00 C ATOM 772 C ASN A 44 -2.974 -5.618 -2.764 1.00 0.00 C ATOM 773 O ASN A 44 -2.019 -6.348 -2.587 1.00 0.00 O ATOM 774 CB ASN A 44 -4.076 -5.935 -4.984 1.00 0.00 C ATOM 775 CG ASN A 44 -5.264 -6.563 -5.715 1.00 0.00 C ATOM 776 OD1 ASN A 44 -5.512 -7.745 -5.590 1.00 0.00 O ATOM 777 ND2 ASN A 44 -6.014 -5.816 -6.481 1.00 0.00 N ATOM 0 H ASN A 44 -5.847 -4.731 -3.671 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.377 -7.183 -3.250 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.012 -4.873 -5.221 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.146 -6.394 -5.321 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.808 -6.226 -6.974 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.806 -4.823 -6.586 1.00 0.00 H new ATOM 784 N ASN A 45 -2.961 -4.370 -2.367 1.00 0.00 N ATOM 785 CA ASN A 45 -1.760 -3.793 -1.676 1.00 0.00 C ATOM 786 C ASN A 45 -2.002 -3.722 -0.169 1.00 0.00 C ATOM 787 O ASN A 45 -1.314 -3.011 0.537 1.00 0.00 O ATOM 788 CB ASN A 45 -1.513 -2.379 -2.206 1.00 0.00 C ATOM 789 CG ASN A 45 -1.248 -2.434 -3.712 1.00 0.00 C ATOM 790 OD1 ASN A 45 -0.398 -3.173 -4.165 1.00 0.00 O ATOM 791 ND2 ASN A 45 -1.947 -1.676 -4.512 1.00 0.00 N ATOM 0 H ASN A 45 -3.736 -3.719 -2.492 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.896 -4.428 -1.871 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.377 -1.747 -2.002 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.662 -1.931 -1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.779 -1.705 -5.518 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.661 -1.055 -4.132 1.00 0.00 H new ATOM 798 N TYR A 46 -2.968 -4.446 0.343 1.00 0.00 N ATOM 799 CA TYR A 46 -3.230 -4.402 1.818 1.00 0.00 C ATOM 800 C TYR A 46 -3.739 -5.771 2.296 1.00 0.00 C ATOM 801 O TYR A 46 -3.131 -6.386 3.151 1.00 0.00 O ATOM 802 CB TYR A 46 -4.249 -3.281 2.115 1.00 0.00 C ATOM 803 CG TYR A 46 -3.878 -2.555 3.401 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.814 -3.266 4.603 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.595 -1.179 3.390 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.473 -2.611 5.792 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.253 -0.525 4.581 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.193 -1.241 5.780 1.00 0.00 C ATOM 809 OH TYR A 46 -2.857 -0.596 6.953 1.00 0.00 O ATOM 0 H TYR A 46 -3.582 -5.061 -0.191 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.310 -4.183 2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.275 -2.575 1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.249 -3.704 2.204 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.028 -4.324 4.614 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.641 -0.625 2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.426 -3.164 6.719 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.036 0.533 4.573 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.692 0.352 6.769 1.00 0.00 H new ATOM 819 N ILE A 47 -4.829 -6.272 1.752 1.00 0.00 N ATOM 820 CA ILE A 47 -5.329 -7.620 2.193 1.00 0.00 C ATOM 821 C ILE A 47 -5.955 -8.377 1.007 1.00 0.00 C ATOM 822 O ILE A 47 -6.937 -7.971 0.422 1.00 0.00 O ATOM 823 CB ILE A 47 -6.330 -7.491 3.391 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.803 -7.289 2.952 1.00 0.00 C ATOM 825 CG2 ILE A 47 -5.936 -6.311 4.282 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.990 -5.994 2.139 1.00 0.00 C ATOM 0 H ILE A 47 -5.387 -5.813 1.032 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.478 -8.201 2.549 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.268 -8.437 3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.123 -8.142 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.443 -7.259 3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.639 -6.231 5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.931 -6.469 4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.958 -5.391 3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.037 -5.892 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.695 -5.138 2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.370 -6.034 1.243 1.00 0.00 H new ATOM 838 N ASN A 48 -5.367 -9.491 0.664 1.00 0.00 N ATOM 839 CA ASN A 48 -5.888 -10.333 -0.452 1.00 0.00 C ATOM 840 C ASN A 48 -5.088 -11.650 -0.511 1.00 0.00 C ATOM 841 O ASN A 48 -5.665 -12.716 -0.597 1.00 0.00 O ATOM 842 CB ASN A 48 -5.816 -9.545 -1.796 1.00 0.00 C ATOM 843 CG ASN A 48 -4.919 -10.236 -2.840 1.00 0.00 C ATOM 844 OD1 ASN A 48 -5.246 -11.298 -3.332 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.798 -9.669 -3.196 1.00 0.00 N ATOM 0 H ASN A 48 -4.532 -9.860 1.119 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.935 -10.580 -0.278 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.821 -9.434 -2.202 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.437 -8.541 -1.604 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.197 -10.117 -3.887 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.524 -8.778 -2.783 1.00 0.00 H new ATOM 852 N PRO A 49 -3.774 -11.588 -0.480 1.00 0.00 N ATOM 853 CA PRO A 49 -2.902 -12.784 -0.548 1.00 0.00 C ATOM 854 C PRO A 49 -2.358 -13.194 0.831 1.00 0.00 C ATOM 855 O PRO A 49 -1.694 -14.201 0.961 1.00 0.00 O ATOM 856 CB PRO A 49 -1.770 -12.285 -1.462 1.00 0.00 C ATOM 857 CG PRO A 49 -1.680 -10.787 -1.207 1.00 0.00 C ATOM 858 CD PRO A 49 -2.932 -10.390 -0.382 1.00 0.00 C ATOM 0 HA PRO A 49 -3.418 -13.675 -0.907 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.828 -12.781 -1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.989 -12.493 -2.509 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.767 -10.543 -0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.648 -10.237 -2.148 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.679 -10.156 0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.428 -9.511 -0.795 1.00 0.00 H new ATOM 866 N ALA A 50 -2.615 -12.410 1.847 1.00 0.00 N ATOM 867 CA ALA A 50 -2.094 -12.744 3.207 1.00 0.00 C ATOM 868 C ALA A 50 -0.581 -12.501 3.217 1.00 0.00 C ATOM 869 O ALA A 50 0.209 -13.387 3.473 1.00 0.00 O ATOM 870 CB ALA A 50 -2.416 -14.213 3.556 1.00 0.00 C ATOM 0 H ALA A 50 -3.164 -11.552 1.793 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.570 -12.113 3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.031 -14.444 4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.496 -14.362 3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.949 -14.872 2.824 1.00 0.00 H new ATOM 876 N LEU A 51 -0.184 -11.293 2.920 1.00 0.00 N ATOM 877 CA LEU A 51 1.271 -10.943 2.881 1.00 0.00 C ATOM 878 C LEU A 51 1.713 -10.438 4.259 1.00 0.00 C ATOM 879 O LEU A 51 2.617 -9.635 4.379 1.00 0.00 O ATOM 880 CB LEU A 51 1.517 -9.862 1.798 1.00 0.00 C ATOM 881 CG LEU A 51 0.302 -8.923 1.677 1.00 0.00 C ATOM 882 CD1 LEU A 51 0.031 -8.237 3.023 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.572 -7.862 0.596 1.00 0.00 C ATOM 0 H LEU A 51 -0.813 -10.521 2.699 1.00 0.00 H new ATOM 0 HA LEU A 51 1.856 -11.827 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.406 -9.284 2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.710 -10.340 0.838 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.573 -9.509 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.830 -7.575 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.175 -8.992 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.905 -7.656 3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.290 -7.200 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.452 -7.280 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.745 -8.354 -0.361 1.00 0.00 H new ATOM 895 N ARG A 52 1.091 -10.912 5.303 1.00 0.00 N ATOM 896 CA ARG A 52 1.488 -10.467 6.667 1.00 0.00 C ATOM 897 C ARG A 52 2.979 -10.749 6.873 1.00 0.00 C ATOM 898 O ARG A 52 3.564 -10.363 7.866 1.00 0.00 O ATOM 899 CB ARG A 52 0.673 -11.232 7.713 1.00 0.00 C ATOM 900 CG ARG A 52 -0.783 -10.766 7.667 1.00 0.00 C ATOM 901 CD ARG A 52 -1.617 -11.599 8.643 1.00 0.00 C ATOM 902 NE ARG A 52 -1.031 -11.494 10.010 1.00 0.00 N ATOM 903 CZ ARG A 52 -1.710 -11.910 11.044 1.00 0.00 C ATOM 904 NH1 ARG A 52 -2.901 -12.418 10.883 1.00 0.00 N ATOM 905 NH2 ARG A 52 -1.196 -11.819 12.241 1.00 0.00 N ATOM 0 H ARG A 52 0.327 -11.587 5.270 1.00 0.00 H new ATOM 0 HA ARG A 52 1.298 -9.399 6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.729 -12.303 7.521 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.088 -11.064 8.707 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.846 -9.710 7.928 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.177 -10.869 6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.649 -11.247 8.650 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.638 -12.641 8.323 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.100 -11.097 10.137 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.302 -12.490 9.948 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.431 -12.743 11.692 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.265 -11.423 12.367 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.726 -12.144 13.050 1.00 0.00 H new ATOM 919 N THR A 53 3.598 -11.423 5.936 1.00 0.00 N ATOM 920 CA THR A 53 5.053 -11.738 6.062 1.00 0.00 C ATOM 921 C THR A 53 5.656 -11.904 4.664 1.00 0.00 C ATOM 922 O THR A 53 6.057 -12.983 4.275 1.00 0.00 O ATOM 923 CB THR A 53 5.227 -13.040 6.852 1.00 0.00 C ATOM 924 OG1 THR A 53 4.460 -12.972 8.046 1.00 0.00 O ATOM 925 CG2 THR A 53 6.703 -13.236 7.200 1.00 0.00 C ATOM 0 H THR A 53 3.155 -11.770 5.085 1.00 0.00 H new ATOM 0 HA THR A 53 5.560 -10.927 6.585 1.00 0.00 H new ATOM 0 HB THR A 53 4.886 -13.881 6.248 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.568 -13.804 8.552 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.825 -14.162 7.762 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.289 -13.288 6.283 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.049 -12.397 7.804 1.00 0.00 H new ATOM 933 N ASP A 54 5.718 -10.835 3.908 1.00 0.00 N ATOM 934 CA ASP A 54 6.290 -10.891 2.521 1.00 0.00 C ATOM 935 C ASP A 54 7.283 -9.743 2.343 1.00 0.00 C ATOM 936 O ASP A 54 7.070 -8.858 1.541 1.00 0.00 O ATOM 937 CB ASP A 54 5.156 -10.736 1.505 1.00 0.00 C ATOM 938 CG ASP A 54 5.702 -10.955 0.093 1.00 0.00 C ATOM 939 OD1 ASP A 54 6.683 -11.668 -0.037 1.00 0.00 O ATOM 940 OD2 ASP A 54 5.130 -10.404 -0.834 1.00 0.00 O ATOM 0 H ASP A 54 5.393 -9.912 4.195 1.00 0.00 H new ATOM 0 HA ASP A 54 6.796 -11.844 2.367 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.364 -11.455 1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.715 -9.743 1.586 1.00 0.00 H new ATOM 945 N PRO A 55 8.361 -9.745 3.088 1.00 0.00 N ATOM 946 CA PRO A 55 9.390 -8.667 3.005 1.00 0.00 C ATOM 947 C PRO A 55 10.205 -8.746 1.711 1.00 0.00 C ATOM 948 O PRO A 55 10.627 -9.806 1.292 1.00 0.00 O ATOM 949 CB PRO A 55 10.274 -8.930 4.233 1.00 0.00 C ATOM 950 CG PRO A 55 10.177 -10.402 4.437 1.00 0.00 C ATOM 951 CD PRO A 55 8.733 -10.769 4.086 1.00 0.00 C ATOM 0 HA PRO A 55 8.949 -7.670 2.994 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.304 -8.618 4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.919 -8.382 5.106 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.883 -10.934 3.799 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.411 -10.672 5.467 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.661 -11.776 3.676 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.084 -10.734 4.961 1.00 0.00 H new ATOM 959 N TRP A 56 10.428 -7.629 1.076 1.00 0.00 N ATOM 960 CA TRP A 56 11.217 -7.634 -0.191 1.00 0.00 C ATOM 961 C TRP A 56 12.706 -7.805 0.135 1.00 0.00 C ATOM 962 O TRP A 56 13.090 -7.936 1.281 1.00 0.00 O ATOM 963 CB TRP A 56 10.978 -6.332 -0.997 1.00 0.00 C ATOM 964 CG TRP A 56 10.644 -5.174 -0.102 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.393 -4.820 0.266 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.538 -4.192 0.497 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.453 -3.691 1.064 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.760 -3.259 1.231 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.935 -4.025 0.479 1.00 0.00 C ATOM 970 CZ2 TRP A 56 11.355 -2.195 1.914 1.00 0.00 C ATOM 971 CZ3 TRP A 56 13.532 -2.960 1.163 1.00 0.00 C ATOM 972 CH2 TRP A 56 12.746 -2.045 1.876 1.00 0.00 C ATOM 0 H TRP A 56 10.099 -6.712 1.378 1.00 0.00 H new ATOM 0 HA TRP A 56 10.888 -8.470 -0.809 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.869 -6.096 -1.579 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.166 -6.488 -1.707 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.488 -5.337 -0.018 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.639 -3.235 1.477 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.551 -4.724 -0.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.747 -1.494 2.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 14.605 -2.843 1.141 1.00 0.00 H new ATOM 0 HH2 TRP A 56 13.214 -1.223 2.397 1.00 0.00 H new ATOM 983 N SER A 57 13.537 -7.827 -0.881 1.00 0.00 N ATOM 984 CA SER A 57 15.015 -8.016 -0.687 1.00 0.00 C ATOM 985 C SER A 57 15.754 -6.753 -1.173 1.00 0.00 C ATOM 986 O SER A 57 15.135 -5.819 -1.643 1.00 0.00 O ATOM 987 CB SER A 57 15.448 -9.262 -1.490 1.00 0.00 C ATOM 988 OG SER A 57 16.245 -10.099 -0.662 1.00 0.00 O ATOM 0 H SER A 57 13.250 -7.720 -1.854 1.00 0.00 H new ATOM 0 HA SER A 57 15.259 -8.167 0.365 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.571 -9.806 -1.841 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.011 -8.962 -2.374 1.00 0.00 H new ATOM 0 HG SER A 57 16.521 -10.892 -1.167 1.00 0.00 H new ATOM 994 N PRO A 58 17.064 -6.716 -1.058 1.00 0.00 N ATOM 995 CA PRO A 58 17.870 -5.535 -1.494 1.00 0.00 C ATOM 996 C PRO A 58 17.476 -5.039 -2.893 1.00 0.00 C ATOM 997 O PRO A 58 17.788 -3.930 -3.280 1.00 0.00 O ATOM 998 CB PRO A 58 19.313 -6.062 -1.472 1.00 0.00 C ATOM 999 CG PRO A 58 19.300 -7.098 -0.395 1.00 0.00 C ATOM 1000 CD PRO A 58 17.930 -7.780 -0.505 1.00 0.00 C ATOM 0 HA PRO A 58 17.717 -4.670 -0.848 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.597 -6.489 -2.434 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.026 -5.267 -1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.109 -7.816 -0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.436 -6.646 0.587 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.965 -8.651 -1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.573 -8.125 0.465 1.00 0.00 H new ATOM 1008 N GLU A 59 16.785 -5.850 -3.645 1.00 0.00 N ATOM 1009 CA GLU A 59 16.360 -5.428 -5.004 1.00 0.00 C ATOM 1010 C GLU A 59 15.498 -4.179 -4.871 1.00 0.00 C ATOM 1011 O GLU A 59 15.699 -3.200 -5.556 1.00 0.00 O ATOM 1012 CB GLU A 59 15.548 -6.548 -5.660 1.00 0.00 C ATOM 1013 CG GLU A 59 16.365 -7.842 -5.653 1.00 0.00 C ATOM 1014 CD GLU A 59 15.581 -8.944 -6.368 1.00 0.00 C ATOM 1015 OE1 GLU A 59 15.423 -8.843 -7.574 1.00 0.00 O ATOM 1016 OE2 GLU A 59 15.153 -9.869 -5.699 1.00 0.00 O ATOM 0 H GLU A 59 16.496 -6.790 -3.374 1.00 0.00 H new ATOM 0 HA GLU A 59 17.233 -5.217 -5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.611 -6.694 -5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.290 -6.274 -6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.323 -7.683 -6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.582 -8.142 -4.628 1.00 0.00 H new ATOM 1023 N GLU A 60 14.549 -4.197 -3.975 1.00 0.00 N ATOM 1024 CA GLU A 60 13.697 -2.996 -3.790 1.00 0.00 C ATOM 1025 C GLU A 60 14.529 -1.926 -3.076 1.00 0.00 C ATOM 1026 O GLU A 60 14.444 -0.756 -3.373 1.00 0.00 O ATOM 1027 CB GLU A 60 12.469 -3.369 -2.948 1.00 0.00 C ATOM 1028 CG GLU A 60 11.448 -4.113 -3.815 1.00 0.00 C ATOM 1029 CD GLU A 60 10.789 -3.135 -4.790 1.00 0.00 C ATOM 1030 OE1 GLU A 60 10.418 -2.057 -4.357 1.00 0.00 O ATOM 1031 OE2 GLU A 60 10.667 -3.481 -5.954 1.00 0.00 O ATOM 0 H GLU A 60 14.330 -4.987 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 60 13.354 -2.614 -4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.770 -3.995 -2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.017 -2.469 -2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.940 -4.915 -4.366 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.691 -4.578 -3.184 1.00 0.00 H new ATOM 1038 N ASP A 61 15.357 -2.312 -2.148 1.00 0.00 N ATOM 1039 CA ASP A 61 16.188 -1.293 -1.445 1.00 0.00 C ATOM 1040 C ASP A 61 16.934 -0.451 -2.487 1.00 0.00 C ATOM 1041 O ASP A 61 16.970 0.760 -2.410 1.00 0.00 O ATOM 1042 CB ASP A 61 17.202 -1.996 -0.533 1.00 0.00 C ATOM 1043 CG ASP A 61 17.810 -0.983 0.441 1.00 0.00 C ATOM 1044 OD1 ASP A 61 17.840 0.189 0.103 1.00 0.00 O ATOM 1045 OD2 ASP A 61 18.236 -1.398 1.506 1.00 0.00 O ATOM 0 H ASP A 61 15.495 -3.277 -1.847 1.00 0.00 H new ATOM 0 HA ASP A 61 15.548 -0.650 -0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.713 -2.798 0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.988 -2.455 -1.133 1.00 0.00 H new ATOM 1050 N MET A 62 17.526 -1.088 -3.462 1.00 0.00 N ATOM 1051 CA MET A 62 18.265 -0.338 -4.515 1.00 0.00 C ATOM 1052 C MET A 62 17.291 0.185 -5.573 1.00 0.00 C ATOM 1053 O MET A 62 17.392 1.313 -6.013 1.00 0.00 O ATOM 1054 CB MET A 62 19.284 -1.269 -5.178 1.00 0.00 C ATOM 1055 CG MET A 62 20.370 -1.640 -4.167 1.00 0.00 C ATOM 1056 SD MET A 62 21.488 -2.860 -4.903 1.00 0.00 S ATOM 1057 CE MET A 62 22.644 -1.691 -5.663 1.00 0.00 C ATOM 0 H MET A 62 17.528 -2.102 -3.573 1.00 0.00 H new ATOM 0 HA MET A 62 18.778 0.507 -4.057 1.00 0.00 H new ATOM 0 HB2 MET A 62 18.788 -2.169 -5.541 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.730 -0.780 -6.044 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.927 -0.751 -3.873 1.00 0.00 H new ATOM 0 HG3 MET A 62 19.917 -2.045 -3.262 1.00 0.00 H new ATOM 0 HE1 MET A 62 23.430 -2.241 -6.180 1.00 0.00 H new ATOM 0 HE2 MET A 62 22.110 -1.063 -6.377 1.00 0.00 H new ATOM 0 HE3 MET A 62 23.088 -1.064 -4.890 1.00 0.00 H new ATOM 1067 N LEU A 63 16.357 -0.623 -6.000 1.00 0.00 N ATOM 1068 CA LEU A 63 15.394 -0.155 -7.046 1.00 0.00 C ATOM 1069 C LEU A 63 14.379 0.817 -6.431 1.00 0.00 C ATOM 1070 O LEU A 63 14.176 1.908 -6.925 1.00 0.00 O ATOM 1071 CB LEU A 63 14.653 -1.357 -7.646 1.00 0.00 C ATOM 1072 CG LEU A 63 15.655 -2.336 -8.298 1.00 0.00 C ATOM 1073 CD1 LEU A 63 14.990 -3.706 -8.479 1.00 0.00 C ATOM 1074 CD2 LEU A 63 16.104 -1.815 -9.675 1.00 0.00 C ATOM 0 H LEU A 63 16.218 -1.580 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 63 15.950 0.358 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.088 -1.870 -6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.933 -1.015 -8.389 1.00 0.00 H new ATOM 0 HG LEU A 63 16.525 -2.423 -7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.697 -4.396 -8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.685 -4.094 -7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.114 -3.604 -9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 63 16.809 -2.518 -10.118 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.236 -1.713 -10.326 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.585 -0.844 -9.557 1.00 0.00 H new ATOM 1086 N LEU A 64 13.742 0.435 -5.358 1.00 0.00 N ATOM 1087 CA LEU A 64 12.744 1.344 -4.717 1.00 0.00 C ATOM 1088 C LEU A 64 13.411 2.697 -4.434 1.00 0.00 C ATOM 1089 O LEU A 64 12.843 3.737 -4.676 1.00 0.00 O ATOM 1090 CB LEU A 64 12.241 0.699 -3.408 1.00 0.00 C ATOM 1091 CG LEU A 64 10.842 1.206 -3.027 1.00 0.00 C ATOM 1092 CD1 LEU A 64 10.420 0.552 -1.702 1.00 0.00 C ATOM 1093 CD2 LEU A 64 10.837 2.737 -2.877 1.00 0.00 C ATOM 0 H LEU A 64 13.868 -0.466 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 64 11.893 1.503 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.217 -0.385 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.940 0.919 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 64 10.140 0.940 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.428 0.905 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.399 -0.531 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.133 0.818 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.836 3.073 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.540 3.028 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.131 3.196 -3.821 1.00 0.00 H new ATOM 1105 N ASP A 65 14.621 2.695 -3.938 1.00 0.00 N ATOM 1106 CA ASP A 65 15.309 3.994 -3.655 1.00 0.00 C ATOM 1107 C ASP A 65 15.198 4.909 -4.880 1.00 0.00 C ATOM 1108 O ASP A 65 15.149 6.117 -4.766 1.00 0.00 O ATOM 1109 CB ASP A 65 16.785 3.735 -3.341 1.00 0.00 C ATOM 1110 CG ASP A 65 17.508 5.066 -3.124 1.00 0.00 C ATOM 1111 OD1 ASP A 65 17.266 5.690 -2.104 1.00 0.00 O ATOM 1112 OD2 ASP A 65 18.289 5.440 -3.984 1.00 0.00 O ATOM 0 H ASP A 65 15.161 1.858 -3.717 1.00 0.00 H new ATOM 0 HA ASP A 65 14.837 4.475 -2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.873 3.113 -2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.250 3.187 -4.160 1.00 0.00 H new ATOM 1117 N GLN A 66 15.145 4.335 -6.051 1.00 0.00 N ATOM 1118 CA GLN A 66 15.022 5.159 -7.288 1.00 0.00 C ATOM 1119 C GLN A 66 13.569 5.618 -7.452 1.00 0.00 C ATOM 1120 O GLN A 66 13.303 6.720 -7.890 1.00 0.00 O ATOM 1121 CB GLN A 66 15.432 4.321 -8.501 1.00 0.00 C ATOM 1122 CG GLN A 66 15.512 5.218 -9.738 1.00 0.00 C ATOM 1123 CD GLN A 66 15.944 4.385 -10.946 1.00 0.00 C ATOM 1124 OE1 GLN A 66 16.001 3.173 -10.874 1.00 0.00 O ATOM 1125 NE2 GLN A 66 16.253 4.986 -12.062 1.00 0.00 N ATOM 0 H GLN A 66 15.182 3.327 -6.205 1.00 0.00 H new ATOM 0 HA GLN A 66 15.672 6.030 -7.212 1.00 0.00 H new ATOM 0 HB2 GLN A 66 16.397 3.847 -8.320 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.710 3.521 -8.665 1.00 0.00 H new ATOM 0 HG2 GLN A 66 14.543 5.679 -9.929 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.222 6.027 -9.568 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.206 6.003 -12.124 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.542 4.439 -12.873 1.00 0.00 H new ATOM 1134 N LYS A 67 12.626 4.782 -7.105 1.00 0.00 N ATOM 1135 CA LYS A 67 11.191 5.174 -7.242 1.00 0.00 C ATOM 1136 C LYS A 67 10.825 6.142 -6.111 1.00 0.00 C ATOM 1137 O LYS A 67 10.349 7.235 -6.344 1.00 0.00 O ATOM 1138 CB LYS A 67 10.312 3.918 -7.163 1.00 0.00 C ATOM 1139 CG LYS A 67 10.943 2.785 -7.984 1.00 0.00 C ATOM 1140 CD LYS A 67 11.177 3.252 -9.427 1.00 0.00 C ATOM 1141 CE LYS A 67 11.475 2.042 -10.317 1.00 0.00 C ATOM 1142 NZ LYS A 67 12.662 1.315 -9.787 1.00 0.00 N ATOM 0 H LYS A 67 12.786 3.846 -6.733 1.00 0.00 H new ATOM 0 HA LYS A 67 11.028 5.664 -8.202 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.200 3.607 -6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.313 4.139 -7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.888 2.481 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.290 1.912 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.298 3.780 -9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.009 3.955 -9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.612 1.377 -10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.662 2.367 -11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.039 0.684 -10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.394 2.000 -9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.383 0.753 -8.958 1.00 0.00 H new ATOM 1156 N TYR A 68 11.062 5.751 -4.887 1.00 0.00 N ATOM 1157 CA TYR A 68 10.751 6.643 -3.732 1.00 0.00 C ATOM 1158 C TYR A 68 11.415 8.004 -3.980 1.00 0.00 C ATOM 1159 O TYR A 68 10.876 9.041 -3.654 1.00 0.00 O ATOM 1160 CB TYR A 68 11.296 5.980 -2.441 1.00 0.00 C ATOM 1161 CG TYR A 68 11.681 7.017 -1.400 1.00 0.00 C ATOM 1162 CD1 TYR A 68 12.912 7.679 -1.503 1.00 0.00 C ATOM 1163 CD2 TYR A 68 10.817 7.314 -0.338 1.00 0.00 C ATOM 1164 CE1 TYR A 68 13.276 8.635 -0.550 1.00 0.00 C ATOM 1165 CE2 TYR A 68 11.182 8.270 0.615 1.00 0.00 C ATOM 1166 CZ TYR A 68 12.413 8.930 0.510 1.00 0.00 C ATOM 1167 OH TYR A 68 12.772 9.873 1.452 1.00 0.00 O ATOM 0 H TYR A 68 11.460 4.846 -4.636 1.00 0.00 H new ATOM 0 HA TYR A 68 9.677 6.793 -3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.541 5.312 -2.028 1.00 0.00 H new ATOM 0 HB3 TYR A 68 12.164 5.368 -2.684 1.00 0.00 H new ATOM 0 HD1 TYR A 68 13.580 7.450 -2.320 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.868 6.804 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 68 14.224 9.146 -0.633 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.514 8.500 1.432 1.00 0.00 H new ATOM 0 HH TYR A 68 12.059 9.957 2.119 1.00 0.00 H new ATOM 1177 N ALA A 69 12.578 8.001 -4.560 1.00 0.00 N ATOM 1178 CA ALA A 69 13.274 9.283 -4.837 1.00 0.00 C ATOM 1179 C ALA A 69 12.341 10.191 -5.641 1.00 0.00 C ATOM 1180 O ALA A 69 12.349 11.397 -5.496 1.00 0.00 O ATOM 1181 CB ALA A 69 14.544 8.997 -5.642 1.00 0.00 C ATOM 0 H ALA A 69 13.079 7.163 -4.855 1.00 0.00 H new ATOM 0 HA ALA A 69 13.543 9.776 -3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.062 9.933 -5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.198 8.340 -5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.278 8.513 -6.582 1.00 0.00 H new ATOM 1187 N GLU A 70 11.534 9.609 -6.490 1.00 0.00 N ATOM 1188 CA GLU A 70 10.585 10.407 -7.318 1.00 0.00 C ATOM 1189 C GLU A 70 9.227 10.502 -6.613 1.00 0.00 C ATOM 1190 O GLU A 70 8.672 11.571 -6.456 1.00 0.00 O ATOM 1191 CB GLU A 70 10.407 9.711 -8.671 1.00 0.00 C ATOM 1192 CG GLU A 70 11.680 9.874 -9.508 1.00 0.00 C ATOM 1193 CD GLU A 70 11.800 11.322 -9.986 1.00 0.00 C ATOM 1194 OE1 GLU A 70 10.801 11.864 -10.429 1.00 0.00 O ATOM 1195 OE2 GLU A 70 12.889 11.866 -9.899 1.00 0.00 O ATOM 0 H GLU A 70 11.493 8.602 -6.646 1.00 0.00 H new ATOM 0 HA GLU A 70 10.981 11.412 -7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.192 8.653 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.555 10.137 -9.201 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.554 9.603 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.653 9.199 -10.364 1.00 0.00 H new ATOM 1202 N TYR A 71 8.675 9.384 -6.215 1.00 0.00 N ATOM 1203 CA TYR A 71 7.334 9.393 -5.551 1.00 0.00 C ATOM 1204 C TYR A 71 7.461 9.672 -4.051 1.00 0.00 C ATOM 1205 O TYR A 71 6.665 10.392 -3.483 1.00 0.00 O ATOM 1206 CB TYR A 71 6.661 8.036 -5.769 1.00 0.00 C ATOM 1207 CG TYR A 71 6.781 7.649 -7.227 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.986 8.292 -8.184 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.683 6.652 -7.624 1.00 0.00 C ATOM 1210 CE1 TYR A 71 6.092 7.939 -9.535 1.00 0.00 C ATOM 1211 CE2 TYR A 71 7.788 6.300 -8.975 1.00 0.00 C ATOM 1212 CZ TYR A 71 6.993 6.943 -9.930 1.00 0.00 C ATOM 1213 OH TYR A 71 7.096 6.597 -11.262 1.00 0.00 O ATOM 0 H TYR A 71 9.096 8.461 -6.321 1.00 0.00 H new ATOM 0 HA TYR A 71 6.731 10.187 -5.991 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.129 7.279 -5.140 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.611 8.086 -5.479 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.291 9.061 -7.880 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.297 6.155 -6.887 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.479 8.435 -10.272 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.483 5.532 -9.280 1.00 0.00 H new ATOM 0 HH TYR A 71 7.768 5.891 -11.366 1.00 0.00 H new ATOM 1223 N GLY A 72 8.440 9.109 -3.396 1.00 0.00 N ATOM 1224 CA GLY A 72 8.589 9.348 -1.925 1.00 0.00 C ATOM 1225 C GLY A 72 7.792 8.282 -1.168 1.00 0.00 C ATOM 1226 O GLY A 72 7.484 7.239 -1.710 1.00 0.00 O ATOM 0 H GLY A 72 9.142 8.496 -3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.640 9.306 -1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.228 10.343 -1.666 1.00 0.00 H new ATOM 1230 N PRO A 73 7.458 8.528 0.074 1.00 0.00 N ATOM 1231 CA PRO A 73 6.685 7.553 0.901 1.00 0.00 C ATOM 1232 C PRO A 73 5.303 7.229 0.308 1.00 0.00 C ATOM 1233 O PRO A 73 4.410 6.802 1.013 1.00 0.00 O ATOM 1234 CB PRO A 73 6.549 8.245 2.279 1.00 0.00 C ATOM 1235 CG PRO A 73 7.610 9.306 2.291 1.00 0.00 C ATOM 1236 CD PRO A 73 7.781 9.746 0.834 1.00 0.00 C ATOM 0 HA PRO A 73 7.193 6.590 0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.557 8.678 2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.693 7.534 3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.315 10.146 2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.546 8.918 2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.112 10.568 0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.796 10.088 0.633 1.00 0.00 H new ATOM 1244 N LYS A 74 5.114 7.413 -0.974 1.00 0.00 N ATOM 1245 CA LYS A 74 3.789 7.098 -1.577 1.00 0.00 C ATOM 1246 C LYS A 74 3.724 5.599 -1.857 1.00 0.00 C ATOM 1247 O LYS A 74 3.631 5.172 -2.991 1.00 0.00 O ATOM 1248 CB LYS A 74 3.634 7.863 -2.886 1.00 0.00 C ATOM 1249 CG LYS A 74 3.467 9.355 -2.592 1.00 0.00 C ATOM 1250 CD LYS A 74 3.361 10.127 -3.909 1.00 0.00 C ATOM 1251 CE LYS A 74 3.199 11.618 -3.616 1.00 0.00 C ATOM 1252 NZ LYS A 74 2.864 12.339 -4.876 1.00 0.00 N ATOM 0 H LYS A 74 5.817 7.766 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 74 2.990 7.386 -0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.507 7.702 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.769 7.491 -3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.574 9.520 -1.989 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.315 9.719 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.252 9.959 -4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.511 9.765 -4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.412 11.771 -2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.119 12.018 -3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.754 13.354 -4.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.629 12.203 -5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.975 11.964 -5.265 1.00 0.00 H new ATOM 1266 N TRP A 75 3.780 4.797 -0.831 1.00 0.00 N ATOM 1267 CA TRP A 75 3.734 3.326 -1.026 1.00 0.00 C ATOM 1268 C TRP A 75 2.532 2.953 -1.902 1.00 0.00 C ATOM 1269 O TRP A 75 2.401 1.833 -2.352 1.00 0.00 O ATOM 1270 CB TRP A 75 3.620 2.642 0.342 1.00 0.00 C ATOM 1271 CG TRP A 75 4.441 3.382 1.357 1.00 0.00 C ATOM 1272 CD1 TRP A 75 3.949 3.921 2.495 1.00 0.00 C ATOM 1273 CD2 TRP A 75 5.873 3.681 1.354 1.00 0.00 C ATOM 1274 NE1 TRP A 75 4.985 4.494 3.207 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.187 4.382 2.544 1.00 0.00 C ATOM 1276 CE3 TRP A 75 6.922 3.410 0.454 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 7.489 4.794 2.832 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.233 3.828 0.740 1.00 0.00 C ATOM 1279 CH2 TRP A 75 8.515 4.517 1.927 1.00 0.00 C ATOM 0 H TRP A 75 3.856 5.102 0.139 1.00 0.00 H new ATOM 0 HA TRP A 75 4.645 2.994 -1.524 1.00 0.00 H new ATOM 0 HB2 TRP A 75 2.577 2.613 0.657 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.960 1.609 0.271 1.00 0.00 H new ATOM 0 HD1 TRP A 75 2.913 3.906 2.799 1.00 0.00 H new ATOM 0 HE1 TRP A 75 4.873 4.946 4.115 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.717 2.877 -0.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 7.701 5.324 3.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.028 3.617 0.040 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.525 4.833 2.141 1.00 0.00 H new ATOM 1290 N ASN A 76 1.662 3.887 -2.147 1.00 0.00 N ATOM 1291 CA ASN A 76 0.472 3.598 -2.994 1.00 0.00 C ATOM 1292 C ASN A 76 0.936 3.356 -4.428 1.00 0.00 C ATOM 1293 O ASN A 76 0.417 2.511 -5.127 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.483 4.794 -2.957 1.00 0.00 C ATOM 1295 CG ASN A 76 -1.669 4.531 -3.888 1.00 0.00 C ATOM 1296 OD1 ASN A 76 -2.103 5.413 -4.603 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -2.216 3.347 -3.909 1.00 0.00 N ATOM 0 H ASN A 76 1.722 4.843 -1.797 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.046 2.715 -2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.836 4.959 -1.939 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.040 5.700 -3.264 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.007 3.162 -4.525 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.852 2.606 -3.309 1.00 0.00 H new ATOM 1304 N LYS A 77 1.920 4.093 -4.868 1.00 0.00 N ATOM 1305 CA LYS A 77 2.439 3.912 -6.252 1.00 0.00 C ATOM 1306 C LYS A 77 3.472 2.790 -6.247 1.00 0.00 C ATOM 1307 O LYS A 77 3.587 2.031 -7.188 1.00 0.00 O ATOM 1308 CB LYS A 77 3.109 5.207 -6.708 1.00 0.00 C ATOM 1309 CG LYS A 77 2.043 6.277 -6.953 1.00 0.00 C ATOM 1310 CD LYS A 77 2.721 7.591 -7.347 1.00 0.00 C ATOM 1311 CE LYS A 77 1.655 8.633 -7.690 1.00 0.00 C ATOM 1312 NZ LYS A 77 2.316 9.909 -8.085 1.00 0.00 N ATOM 0 H LYS A 77 2.389 4.817 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 77 1.621 3.663 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.815 5.549 -5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.679 5.032 -7.620 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.364 5.955 -7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.443 6.420 -6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.345 7.950 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.377 7.432 -8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.025 8.271 -8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.004 8.799 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.591 10.618 -8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.899 10.256 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.920 9.745 -8.916 1.00 0.00 H new ATOM 1326 N ILE A 78 4.229 2.687 -5.193 1.00 0.00 N ATOM 1327 CA ILE A 78 5.264 1.623 -5.122 1.00 0.00 C ATOM 1328 C ILE A 78 4.584 0.255 -5.033 1.00 0.00 C ATOM 1329 O ILE A 78 4.845 -0.628 -5.818 1.00 0.00 O ATOM 1330 CB ILE A 78 6.127 1.853 -3.878 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.472 3.346 -3.747 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.413 1.034 -3.980 1.00 0.00 C ATOM 1333 CD1 ILE A 78 7.044 3.885 -5.064 1.00 0.00 C ATOM 0 H ILE A 78 4.175 3.295 -4.376 1.00 0.00 H new ATOM 0 HA ILE A 78 5.890 1.653 -6.014 1.00 0.00 H new ATOM 0 HB ILE A 78 5.569 1.537 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.579 3.909 -3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.196 3.489 -2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.023 1.202 -3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.165 -0.025 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.970 1.340 -4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.282 4.943 -4.951 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.949 3.335 -5.320 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.308 3.761 -5.858 1.00 0.00 H new ATOM 1345 N SER A 79 3.713 0.076 -4.079 1.00 0.00 N ATOM 1346 CA SER A 79 3.013 -1.238 -3.938 1.00 0.00 C ATOM 1347 C SER A 79 2.446 -1.690 -5.288 1.00 0.00 C ATOM 1348 O SER A 79 2.230 -2.865 -5.515 1.00 0.00 O ATOM 1349 CB SER A 79 1.869 -1.107 -2.933 1.00 0.00 C ATOM 1350 OG SER A 79 2.348 -0.482 -1.750 1.00 0.00 O ATOM 0 H SER A 79 3.454 0.781 -3.389 1.00 0.00 H new ATOM 0 HA SER A 79 3.732 -1.978 -3.587 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.057 -0.521 -3.364 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.462 -2.091 -2.698 1.00 0.00 H new ATOM 0 HG SER A 79 2.074 0.459 -1.743 1.00 0.00 H new ATOM 1356 N LYS A 80 2.194 -0.775 -6.181 1.00 0.00 N ATOM 1357 CA LYS A 80 1.631 -1.158 -7.508 1.00 0.00 C ATOM 1358 C LYS A 80 2.748 -1.714 -8.384 1.00 0.00 C ATOM 1359 O LYS A 80 2.506 -2.414 -9.348 1.00 0.00 O ATOM 1360 CB LYS A 80 1.015 0.073 -8.180 1.00 0.00 C ATOM 1361 CG LYS A 80 -0.301 0.433 -7.487 1.00 0.00 C ATOM 1362 CD LYS A 80 -0.877 1.707 -8.110 1.00 0.00 C ATOM 1363 CE LYS A 80 -2.273 1.968 -7.542 1.00 0.00 C ATOM 1364 NZ LYS A 80 -2.197 2.050 -6.056 1.00 0.00 N ATOM 0 H LYS A 80 2.353 0.224 -6.050 1.00 0.00 H new ATOM 0 HA LYS A 80 0.859 -1.916 -7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.707 0.913 -8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.838 -0.128 -9.237 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.013 -0.387 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.133 0.581 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.224 2.554 -7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.928 1.604 -9.194 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.675 2.896 -7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.953 1.170 -7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.066 2.488 -5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.096 1.094 -5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.376 2.626 -5.782 1.00 0.00 H new ATOM 1378 N PHE A 81 3.975 -1.416 -8.054 1.00 0.00 N ATOM 1379 CA PHE A 81 5.115 -1.930 -8.861 1.00 0.00 C ATOM 1380 C PHE A 81 5.485 -3.310 -8.317 1.00 0.00 C ATOM 1381 O PHE A 81 6.172 -4.085 -8.951 1.00 0.00 O ATOM 1382 CB PHE A 81 6.305 -0.958 -8.721 1.00 0.00 C ATOM 1383 CG PHE A 81 6.208 0.142 -9.765 1.00 0.00 C ATOM 1384 CD1 PHE A 81 6.486 -0.148 -11.106 1.00 0.00 C ATOM 1385 CD2 PHE A 81 5.843 1.444 -9.393 1.00 0.00 C ATOM 1386 CE1 PHE A 81 6.399 0.860 -12.074 1.00 0.00 C ATOM 1387 CE2 PHE A 81 5.756 2.451 -10.362 1.00 0.00 C ATOM 1388 CZ PHE A 81 6.034 2.159 -11.703 1.00 0.00 C ATOM 0 H PHE A 81 4.237 -0.836 -7.257 1.00 0.00 H new ATOM 0 HA PHE A 81 4.851 -2.008 -9.916 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.313 -0.522 -7.722 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.243 -1.500 -8.839 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.768 -1.150 -11.394 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.629 1.670 -8.359 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.614 0.635 -13.108 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.474 3.453 -10.075 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.967 2.936 -12.450 1.00 0.00 H new ATOM 1398 N LEU A 82 5.024 -3.606 -7.134 1.00 0.00 N ATOM 1399 CA LEU A 82 5.319 -4.923 -6.494 1.00 0.00 C ATOM 1400 C LEU A 82 4.130 -5.858 -6.733 1.00 0.00 C ATOM 1401 O LEU A 82 4.235 -6.840 -7.438 1.00 0.00 O ATOM 1402 CB LEU A 82 5.513 -4.695 -4.985 1.00 0.00 C ATOM 1403 CG LEU A 82 6.917 -4.103 -4.682 1.00 0.00 C ATOM 1404 CD1 LEU A 82 7.302 -3.009 -5.687 1.00 0.00 C ATOM 1405 CD2 LEU A 82 6.921 -3.491 -3.277 1.00 0.00 C ATOM 0 H LEU A 82 4.445 -2.981 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 82 6.220 -5.369 -6.915 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.743 -4.019 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.391 -5.639 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 82 7.640 -4.916 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.290 -2.620 -5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.317 -3.428 -6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.573 -2.200 -5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.906 -3.076 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.174 -2.699 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.686 -4.262 -2.543 1.00 0.00 H new ATOM 1417 N LYS A 83 3.000 -5.554 -6.143 1.00 0.00 N ATOM 1418 CA LYS A 83 1.788 -6.406 -6.316 1.00 0.00 C ATOM 1419 C LYS A 83 1.948 -7.650 -5.449 1.00 0.00 C ATOM 1420 O LYS A 83 1.070 -8.487 -5.378 1.00 0.00 O ATOM 1421 CB LYS A 83 1.615 -6.792 -7.807 1.00 0.00 C ATOM 1422 CG LYS A 83 0.116 -6.948 -8.168 1.00 0.00 C ATOM 1423 CD LYS A 83 -0.517 -5.579 -8.502 1.00 0.00 C ATOM 1424 CE LYS A 83 0.067 -4.996 -9.808 1.00 0.00 C ATOM 1425 NZ LYS A 83 -0.988 -4.201 -10.500 1.00 0.00 N ATOM 0 H LYS A 83 2.867 -4.741 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 83 0.896 -5.860 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.068 -6.028 -8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.141 -7.725 -8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.011 -7.619 -9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.417 -7.406 -7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.597 -5.689 -8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.342 -4.884 -7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.929 -4.366 -9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.418 -5.800 -10.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.602 -3.805 -11.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.797 -4.816 -10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.302 -3.427 -9.880 1.00 0.00 H new ATOM 1439 N ASN A 84 3.073 -7.765 -4.785 1.00 0.00 N ATOM 1440 CA ASN A 84 3.333 -8.942 -3.902 1.00 0.00 C ATOM 1441 C ASN A 84 3.341 -8.483 -2.442 1.00 0.00 C ATOM 1442 O ASN A 84 3.107 -9.265 -1.540 1.00 0.00 O ATOM 1443 CB ASN A 84 4.694 -9.550 -4.259 1.00 0.00 C ATOM 1444 CG ASN A 84 4.595 -10.279 -5.601 1.00 0.00 C ATOM 1445 OD1 ASN A 84 4.989 -11.423 -5.715 1.00 0.00 O ATOM 1446 ND2 ASN A 84 4.082 -9.661 -6.629 1.00 0.00 N ATOM 0 H ASN A 84 3.831 -7.083 -4.819 1.00 0.00 H new ATOM 0 HA ASN A 84 2.554 -9.691 -4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.450 -8.767 -4.314 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.009 -10.243 -3.479 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.012 -10.138 -7.528 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.751 -8.701 -6.534 1.00 0.00 H new ATOM 1453 N ARG A 85 3.607 -7.218 -2.204 1.00 0.00 N ATOM 1454 CA ARG A 85 3.633 -6.683 -0.802 1.00 0.00 C ATOM 1455 C ARG A 85 2.555 -5.623 -0.636 1.00 0.00 C ATOM 1456 O ARG A 85 1.830 -5.300 -1.557 1.00 0.00 O ATOM 1457 CB ARG A 85 5.003 -6.062 -0.523 1.00 0.00 C ATOM 1458 CG ARG A 85 6.108 -7.155 -0.507 1.00 0.00 C ATOM 1459 CD ARG A 85 6.768 -7.278 -1.891 1.00 0.00 C ATOM 1460 NE ARG A 85 7.449 -8.599 -1.997 1.00 0.00 N ATOM 1461 CZ ARG A 85 7.949 -8.986 -3.140 1.00 0.00 C ATOM 1462 NH1 ARG A 85 7.853 -8.217 -4.190 1.00 0.00 N ATOM 1463 NH2 ARG A 85 8.547 -10.142 -3.232 1.00 0.00 N ATOM 0 H ARG A 85 3.809 -6.528 -2.927 1.00 0.00 H new ATOM 0 HA ARG A 85 3.448 -7.497 -0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.232 -5.317 -1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.984 -5.543 0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.862 -6.907 0.240 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.675 -8.113 -0.218 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.017 -7.179 -2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.488 -6.472 -2.036 1.00 0.00 H new ATOM 0 HE ARG A 85 7.525 -9.201 -1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.387 -7.312 -4.119 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.244 -8.521 -5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.624 -10.743 -2.412 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.938 -10.445 -4.124 1.00 0.00 H new ATOM 1477 N SER A 86 2.441 -5.097 0.555 1.00 0.00 N ATOM 1478 CA SER A 86 1.417 -4.066 0.863 1.00 0.00 C ATOM 1479 C SER A 86 2.130 -2.837 1.398 1.00 0.00 C ATOM 1480 O SER A 86 3.257 -2.895 1.837 1.00 0.00 O ATOM 1481 CB SER A 86 0.459 -4.614 1.929 1.00 0.00 C ATOM 1482 OG SER A 86 -0.546 -5.390 1.295 1.00 0.00 O ATOM 0 H SER A 86 3.034 -5.349 1.346 1.00 0.00 H new ATOM 0 HA SER A 86 0.848 -3.809 -0.030 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.006 -5.223 2.649 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.006 -3.793 2.485 1.00 0.00 H new ATOM 0 HG SER A 86 -1.074 -5.860 1.974 1.00 0.00 H new ATOM 1488 N ASP A 87 1.471 -1.733 1.374 1.00 0.00 N ATOM 1489 CA ASP A 87 2.092 -0.487 1.880 1.00 0.00 C ATOM 1490 C ASP A 87 2.516 -0.700 3.328 1.00 0.00 C ATOM 1491 O ASP A 87 3.556 -0.243 3.761 1.00 0.00 O ATOM 1492 CB ASP A 87 1.079 0.656 1.795 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.262 0.192 2.367 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.813 -0.757 1.836 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -0.714 0.793 3.328 1.00 0.00 O ATOM 0 H ASP A 87 0.519 -1.632 1.023 1.00 0.00 H new ATOM 0 HA ASP A 87 2.965 -0.233 1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.443 1.521 2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.955 0.970 0.759 1.00 0.00 H new ATOM 1500 N ASN A 88 1.720 -1.404 4.072 1.00 0.00 N ATOM 1501 CA ASN A 88 2.066 -1.669 5.492 1.00 0.00 C ATOM 1502 C ASN A 88 3.396 -2.420 5.550 1.00 0.00 C ATOM 1503 O ASN A 88 4.147 -2.292 6.493 1.00 0.00 O ATOM 1504 CB ASN A 88 0.969 -2.519 6.137 1.00 0.00 C ATOM 1505 CG ASN A 88 1.281 -2.713 7.622 1.00 0.00 C ATOM 1506 OD1 ASN A 88 2.229 -3.389 7.973 1.00 0.00 O ATOM 1507 ND2 ASN A 88 0.519 -2.146 8.516 1.00 0.00 N ATOM 0 H ASN A 88 0.839 -1.811 3.758 1.00 0.00 H new ATOM 0 HA ASN A 88 2.152 -0.726 6.031 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.001 -2.033 6.018 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.903 -3.486 5.639 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.718 -2.270 9.509 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.276 -1.579 8.222 1.00 0.00 H new ATOM 1514 N ASN A 89 3.701 -3.206 4.546 1.00 0.00 N ATOM 1515 CA ASN A 89 4.982 -3.959 4.544 1.00 0.00 C ATOM 1516 C ASN A 89 6.098 -3.055 4.028 1.00 0.00 C ATOM 1517 O ASN A 89 7.219 -3.098 4.492 1.00 0.00 O ATOM 1518 CB ASN A 89 4.831 -5.154 3.612 1.00 0.00 C ATOM 1519 CG ASN A 89 6.025 -6.094 3.781 1.00 0.00 C ATOM 1520 OD1 ASN A 89 6.824 -5.924 4.679 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.180 -7.084 2.949 1.00 0.00 N ATOM 0 H ASN A 89 3.112 -3.355 3.727 1.00 0.00 H new ATOM 0 HA ASN A 89 5.226 -4.293 5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.904 -5.684 3.832 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.766 -4.815 2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.973 -7.717 3.052 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.508 -7.226 2.195 1.00 0.00 H new ATOM 1528 N ILE A 90 5.792 -2.248 3.054 1.00 0.00 N ATOM 1529 CA ILE A 90 6.816 -1.339 2.476 1.00 0.00 C ATOM 1530 C ILE A 90 7.123 -0.229 3.477 1.00 0.00 C ATOM 1531 O ILE A 90 8.260 0.009 3.832 1.00 0.00 O ATOM 1532 CB ILE A 90 6.262 -0.741 1.180 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.902 -1.878 0.222 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.316 0.150 0.521 1.00 0.00 C ATOM 1535 CD1 ILE A 90 5.158 -1.338 -1.003 1.00 0.00 C ATOM 0 H ILE A 90 4.867 -2.179 2.630 1.00 0.00 H new ATOM 0 HA ILE A 90 7.734 -1.886 2.262 1.00 0.00 H new ATOM 0 HB ILE A 90 5.379 -0.144 1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.808 -2.394 -0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.281 -2.611 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.912 0.571 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.586 0.958 1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.202 -0.443 0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.911 -2.163 -1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.241 -0.843 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.792 -0.623 -1.528 1.00 0.00 H new ATOM 1547 N ARG A 91 6.111 0.441 3.943 1.00 0.00 N ATOM 1548 CA ARG A 91 6.326 1.527 4.937 1.00 0.00 C ATOM 1549 C ARG A 91 7.013 0.938 6.164 1.00 0.00 C ATOM 1550 O ARG A 91 7.780 1.592 6.842 1.00 0.00 O ATOM 1551 CB ARG A 91 4.968 2.098 5.351 1.00 0.00 C ATOM 1552 CG ARG A 91 5.161 3.347 6.222 1.00 0.00 C ATOM 1553 CD ARG A 91 3.837 3.707 6.898 1.00 0.00 C ATOM 1554 NE ARG A 91 3.944 5.058 7.519 1.00 0.00 N ATOM 1555 CZ ARG A 91 2.951 5.538 8.216 1.00 0.00 C ATOM 1556 NH1 ARG A 91 1.861 4.836 8.369 1.00 0.00 N ATOM 1557 NH2 ARG A 91 3.047 6.720 8.760 1.00 0.00 N ATOM 0 H ARG A 91 5.139 0.283 3.678 1.00 0.00 H new ATOM 0 HA ARG A 91 6.943 2.315 4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.386 2.350 4.465 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.402 1.346 5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.928 3.164 6.975 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.508 4.180 5.610 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.029 3.695 6.167 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.591 2.965 7.658 1.00 0.00 H new ATOM 0 HE ARG A 91 4.795 5.608 7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.786 3.912 7.944 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.085 5.211 8.914 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.898 7.269 8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.271 7.095 9.305 1.00 0.00 H new ATOM 1571 N ASN A 92 6.717 -0.293 6.462 1.00 0.00 N ATOM 1572 CA ASN A 92 7.319 -0.949 7.663 1.00 0.00 C ATOM 1573 C ASN A 92 8.703 -1.500 7.332 1.00 0.00 C ATOM 1574 O ASN A 92 9.623 -1.389 8.116 1.00 0.00 O ATOM 1575 CB ASN A 92 6.416 -2.097 8.123 1.00 0.00 C ATOM 1576 CG ASN A 92 7.039 -2.781 9.342 1.00 0.00 C ATOM 1577 OD1 ASN A 92 7.529 -3.888 9.247 1.00 0.00 O ATOM 1578 ND2 ASN A 92 7.039 -2.164 10.491 1.00 0.00 N ATOM 0 H ASN A 92 6.080 -0.881 5.924 1.00 0.00 H new ATOM 0 HA ASN A 92 7.413 -0.208 8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.426 -1.717 8.373 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.286 -2.817 7.315 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.451 -2.611 11.310 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.627 -1.234 10.571 1.00 0.00 H new ATOM 1585 N ARG A 93 8.869 -2.106 6.187 1.00 0.00 N ATOM 1586 CA ARG A 93 10.207 -2.667 5.844 1.00 0.00 C ATOM 1587 C ARG A 93 11.147 -1.530 5.444 1.00 0.00 C ATOM 1588 O ARG A 93 12.335 -1.574 5.695 1.00 0.00 O ATOM 1589 CB ARG A 93 10.065 -3.666 4.696 1.00 0.00 C ATOM 1590 CG ARG A 93 11.407 -4.374 4.451 1.00 0.00 C ATOM 1591 CD ARG A 93 11.173 -5.624 3.606 1.00 0.00 C ATOM 1592 NE ARG A 93 12.483 -6.179 3.162 1.00 0.00 N ATOM 1593 CZ ARG A 93 13.271 -6.764 4.024 1.00 0.00 C ATOM 1594 NH1 ARG A 93 12.914 -6.861 5.275 1.00 0.00 N ATOM 1595 NH2 ARG A 93 14.417 -7.251 3.633 1.00 0.00 N ATOM 0 H ARG A 93 8.144 -2.236 5.481 1.00 0.00 H new ATOM 0 HA ARG A 93 10.622 -3.183 6.710 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.295 -4.400 4.934 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.745 -3.150 3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.098 -3.702 3.942 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.867 -4.645 5.401 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.628 -6.370 4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.558 -5.380 2.740 1.00 0.00 H new ATOM 0 HE ARG A 93 12.764 -6.102 2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.019 -6.480 5.581 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.530 -7.318 5.947 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.697 -7.175 2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.033 -7.708 4.305 1.00 0.00 H new ATOM 1609 N TRP A 94 10.622 -0.508 4.832 1.00 0.00 N ATOM 1610 CA TRP A 94 11.474 0.643 4.423 1.00 0.00 C ATOM 1611 C TRP A 94 11.784 1.505 5.648 1.00 0.00 C ATOM 1612 O TRP A 94 12.891 1.968 5.827 1.00 0.00 O ATOM 1613 CB TRP A 94 10.730 1.484 3.381 1.00 0.00 C ATOM 1614 CG TRP A 94 11.578 2.649 2.981 1.00 0.00 C ATOM 1615 CD1 TRP A 94 11.540 3.872 3.560 1.00 0.00 C ATOM 1616 CD2 TRP A 94 12.587 2.723 1.933 1.00 0.00 C ATOM 1617 NE1 TRP A 94 12.460 4.692 2.931 1.00 0.00 N ATOM 1618 CE2 TRP A 94 13.130 4.030 1.923 1.00 0.00 C ATOM 1619 CE3 TRP A 94 13.078 1.794 0.998 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 14.124 4.402 1.018 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 14.079 2.165 0.086 1.00 0.00 C ATOM 1622 CH2 TRP A 94 14.602 3.466 0.096 1.00 0.00 C ATOM 0 H TRP A 94 9.634 -0.419 4.596 1.00 0.00 H new ATOM 0 HA TRP A 94 12.405 0.273 3.993 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.495 0.875 2.508 1.00 0.00 H new ATOM 0 HB3 TRP A 94 9.782 1.834 3.790 1.00 0.00 H new ATOM 0 HD1 TRP A 94 10.897 4.160 4.379 1.00 0.00 H new ATOM 0 HE1 TRP A 94 12.623 5.667 3.182 1.00 0.00 H new ATOM 0 HE3 TRP A 94 12.683 0.789 0.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.522 5.406 1.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 14.449 1.444 -0.628 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.373 3.745 -0.607 1.00 0.00 H new ATOM 1633 N MET A 95 10.814 1.726 6.493 1.00 0.00 N ATOM 1634 CA MET A 95 11.059 2.560 7.704 1.00 0.00 C ATOM 1635 C MET A 95 11.967 1.802 8.676 1.00 0.00 C ATOM 1636 O MET A 95 12.674 2.395 9.467 1.00 0.00 O ATOM 1637 CB MET A 95 9.725 2.869 8.390 1.00 0.00 C ATOM 1638 CG MET A 95 9.974 3.736 9.626 1.00 0.00 C ATOM 1639 SD MET A 95 8.394 4.351 10.259 1.00 0.00 S ATOM 1640 CE MET A 95 9.071 5.574 11.409 1.00 0.00 C ATOM 0 H MET A 95 9.864 1.366 6.398 1.00 0.00 H new ATOM 0 HA MET A 95 11.542 3.491 7.409 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.060 3.386 7.698 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.229 1.942 8.677 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.484 3.155 10.394 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.626 4.572 9.372 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.254 6.084 11.920 1.00 0.00 H new ATOM 0 HE2 MET A 95 9.702 5.073 12.143 1.00 0.00 H new ATOM 0 HE3 MET A 95 9.665 6.303 10.857 1.00 0.00 H new ATOM 1650 N MET A 96 11.962 0.497 8.620 1.00 0.00 N ATOM 1651 CA MET A 96 12.832 -0.296 9.533 1.00 0.00 C ATOM 1652 C MET A 96 14.248 -0.312 8.968 1.00 0.00 C ATOM 1653 O MET A 96 15.220 -0.225 9.692 1.00 0.00 O ATOM 1654 CB MET A 96 12.299 -1.730 9.630 1.00 0.00 C ATOM 1655 CG MET A 96 13.023 -2.474 10.754 1.00 0.00 C ATOM 1656 SD MET A 96 12.483 -1.825 12.356 1.00 0.00 S ATOM 1657 CE MET A 96 13.062 -3.207 13.369 1.00 0.00 C ATOM 0 H MET A 96 11.391 -0.054 7.979 1.00 0.00 H new ATOM 0 HA MET A 96 12.835 0.151 10.527 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.226 -1.717 9.821 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.448 -2.248 8.683 1.00 0.00 H new ATOM 0 HG2 MET A 96 12.812 -3.542 10.693 1.00 0.00 H new ATOM 0 HG3 MET A 96 14.101 -2.356 10.647 1.00 0.00 H new ATOM 0 HE1 MET A 96 12.828 -3.014 14.416 1.00 0.00 H new ATOM 0 HE2 MET A 96 12.567 -4.124 13.050 1.00 0.00 H new ATOM 0 HE3 MET A 96 14.140 -3.317 13.253 1.00 0.00 H new ATOM 1667 N ILE A 97 14.371 -0.420 7.671 1.00 0.00 N ATOM 1668 CA ILE A 97 15.721 -0.438 7.045 1.00 0.00 C ATOM 1669 C ILE A 97 16.199 0.998 6.841 1.00 0.00 C ATOM 1670 O ILE A 97 17.382 1.277 6.859 1.00 0.00 O ATOM 1671 CB ILE A 97 15.651 -1.155 5.693 1.00 0.00 C ATOM 1672 CG1 ILE A 97 15.214 -2.608 5.913 1.00 0.00 C ATOM 1673 CG2 ILE A 97 17.032 -1.130 5.028 1.00 0.00 C ATOM 1674 CD1 ILE A 97 14.896 -3.265 4.569 1.00 0.00 C ATOM 0 H ILE A 97 13.591 -0.497 7.018 1.00 0.00 H new ATOM 0 HA ILE A 97 16.419 -0.966 7.695 1.00 0.00 H new ATOM 0 HB ILE A 97 14.931 -0.651 5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 97 16.004 -3.162 6.420 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.337 -2.639 6.560 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.982 -1.640 4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.343 -0.097 4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 97 17.754 -1.635 5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 97 14.586 -4.297 4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 97 14.091 -2.718 4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 97 15.784 -3.249 3.937 1.00 0.00 H new ATOM 1686 N ALA A 98 15.289 1.915 6.653 1.00 0.00 N ATOM 1687 CA ALA A 98 15.695 3.333 6.454 1.00 0.00 C ATOM 1688 C ALA A 98 16.119 3.918 7.799 1.00 0.00 C ATOM 1689 O ALA A 98 16.783 4.934 7.867 1.00 0.00 O ATOM 1690 CB ALA A 98 14.518 4.136 5.897 1.00 0.00 C ATOM 0 H ALA A 98 14.284 1.743 6.629 1.00 0.00 H new ATOM 0 HA ALA A 98 16.524 3.381 5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 98 14.821 5.173 5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.208 3.713 4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.685 4.095 6.599 1.00 0.00 H new ATOM 1696 N ARG A 99 15.742 3.278 8.872 1.00 0.00 N ATOM 1697 CA ARG A 99 16.124 3.784 10.214 1.00 0.00 C ATOM 1698 C ARG A 99 17.606 3.506 10.437 1.00 0.00 C ATOM 1699 O ARG A 99 18.253 4.126 11.257 1.00 0.00 O ATOM 1700 CB ARG A 99 15.299 3.071 11.286 1.00 0.00 C ATOM 1701 CG ARG A 99 15.621 3.667 12.659 1.00 0.00 C ATOM 1702 CD ARG A 99 14.713 3.035 13.716 1.00 0.00 C ATOM 1703 NE ARG A 99 14.862 3.772 15.003 1.00 0.00 N ATOM 1704 CZ ARG A 99 15.962 3.658 15.697 1.00 0.00 C ATOM 1705 NH1 ARG A 99 16.932 2.899 15.264 1.00 0.00 N ATOM 1706 NH2 ARG A 99 16.092 4.304 16.824 1.00 0.00 N ATOM 0 H ARG A 99 15.184 2.424 8.874 1.00 0.00 H new ATOM 0 HA ARG A 99 15.934 4.856 10.276 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.236 3.177 11.072 1.00 0.00 H new ATOM 0 HB3 ARG A 99 15.520 2.004 11.280 1.00 0.00 H new ATOM 0 HG2 ARG A 99 16.667 3.488 12.909 1.00 0.00 H new ATOM 0 HG3 ARG A 99 15.478 4.747 12.641 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.675 3.066 13.385 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.973 1.985 13.853 1.00 0.00 H new ATOM 0 HE ARG A 99 14.105 4.365 15.342 1.00 0.00 H new ATOM 0 HH11 ARG A 99 16.831 2.395 14.383 1.00 0.00 H new ATOM 0 HH12 ARG A 99 17.791 2.810 15.807 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.334 4.897 17.162 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.951 4.215 17.367 1.00 0.00 H new