USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 733 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 112 TYR OH : rot 180:sc= -1.05 USER MOD Set 1.2: A 136 ASN : amide:sc= -3.82 K(o=-4.9,f=-4!) USER MOD Single : A 66 LYS NZ :NH3+ -127:sc= -1.32 (180deg=-3.81!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0876) USER MOD Single : A 75 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.25) USER MOD Single : A 76 TYR OH : rot 180:sc=-0.000627 USER MOD Single : A 78 ASN : amide:sc= -0.0493 K(o=-0.049,f=-1.8!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 90 LYS NZ :NH3+ 161:sc= -0.0585 (180deg=-0.475) USER MOD Single : A 93 GLN : amide:sc= -0.158 K(o=-0.16,f=-1) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= -8.94! K(o=-8.9!,f=-3.8) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -2.47! C(o=-2.5!,f=-3.9!) USER MOD Single : A 106 THR OG1 : rot 6:sc= -0.106 USER MOD Single : A 108 LYS NZ :NH3+ -152:sc= -3.14 (180deg=-5.6!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.426 K(o=-0.43,f=-1.3) USER MOD Single : A 113 GLN : amide:sc= -3.55! C(o=-3.5!,f=-4.7!) USER MOD Single : A 120 SER OG : rot -49:sc= 1.07 USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0245) USER MOD Single : A 126 ASN : amide:sc= -1.44! C(o=-1.4!,f=-3!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -34:sc= 0.679 USER MOD Single : A 134 SER OG : rot -60:sc= -1.51! USER MOD Single : A 135 THR OG1 : rot -38:sc= 0.271 USER MOD Single : A 137 MET CE :methyl -134:sc= -0.298 (180deg=-3.52!) USER MOD Single : A 140 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.103) USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 20:sc= -0.903! USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 MET CE :methyl 167:sc= 0 (180deg=-0.128) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 65 9.909 2.658 -7.434 1.00 0.00 N ATOM 16 CA PHE A 65 8.536 2.481 -6.872 1.00 0.00 C ATOM 17 C PHE A 65 8.616 2.025 -5.416 1.00 0.00 C ATOM 18 O PHE A 65 7.943 2.551 -4.551 1.00 0.00 O ATOM 19 CB PHE A 65 7.783 1.426 -7.694 1.00 0.00 C ATOM 20 CG PHE A 65 8.522 0.103 -7.656 1.00 0.00 C ATOM 21 CD1 PHE A 65 9.534 -0.163 -8.585 1.00 0.00 C ATOM 22 CD2 PHE A 65 8.188 -0.859 -6.691 1.00 0.00 C ATOM 23 CE1 PHE A 65 10.213 -1.388 -8.551 1.00 0.00 C ATOM 24 CE2 PHE A 65 8.866 -2.085 -6.660 1.00 0.00 C ATOM 25 CZ PHE A 65 9.879 -2.348 -7.589 1.00 0.00 C ATOM 0 HA PHE A 65 8.008 3.434 -6.917 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.775 1.299 -7.299 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.681 1.764 -8.725 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.792 0.576 -9.329 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.408 -0.655 -5.972 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.995 -1.592 -9.268 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.607 -2.827 -5.919 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.403 -3.292 -7.564 1.00 0.00 H new ATOM 35 N LYS A 66 9.432 1.046 -5.141 1.00 0.00 N ATOM 36 CA LYS A 66 9.567 0.541 -3.744 1.00 0.00 C ATOM 37 C LYS A 66 10.180 1.628 -2.862 1.00 0.00 C ATOM 38 O LYS A 66 9.817 1.789 -1.713 1.00 0.00 O ATOM 39 CB LYS A 66 10.469 -0.697 -3.734 1.00 0.00 C ATOM 40 CG LYS A 66 10.508 -1.290 -2.324 1.00 0.00 C ATOM 41 CD LYS A 66 11.273 -2.621 -2.346 1.00 0.00 C ATOM 42 CE LYS A 66 12.759 -2.372 -2.648 1.00 0.00 C ATOM 43 NZ LYS A 66 12.958 -2.317 -4.123 1.00 0.00 N ATOM 0 H LYS A 66 10.016 0.570 -5.829 1.00 0.00 H new ATOM 0 HA LYS A 66 8.583 0.277 -3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.095 -1.438 -4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.476 -0.429 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.990 -0.593 -1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.494 -1.448 -1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.169 -3.125 -1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.846 -3.282 -3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.083 -1.437 -2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.368 -3.166 -2.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.708 -2.983 -4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.072 -2.576 -4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.233 -1.353 -4.401 1.00 0.00 H new ATOM 57 N GLN A 67 11.112 2.367 -3.396 1.00 0.00 N ATOM 58 CA GLN A 67 11.770 3.445 -2.604 1.00 0.00 C ATOM 59 C GLN A 67 10.716 4.454 -2.151 1.00 0.00 C ATOM 60 O GLN A 67 10.737 4.932 -1.033 1.00 0.00 O ATOM 61 CB GLN A 67 12.807 4.159 -3.483 1.00 0.00 C ATOM 62 CG GLN A 67 13.573 5.181 -2.642 1.00 0.00 C ATOM 63 CD GLN A 67 14.612 5.899 -3.509 1.00 0.00 C ATOM 64 OE1 GLN A 67 14.272 6.556 -4.472 1.00 0.00 O ATOM 65 NE2 GLN A 67 15.878 5.805 -3.201 1.00 0.00 N ATOM 0 H GLN A 67 11.449 2.270 -4.354 1.00 0.00 H new ATOM 0 HA GLN A 67 12.262 3.011 -1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.498 3.433 -3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.312 4.657 -4.317 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.880 5.906 -2.215 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.066 4.682 -1.808 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.167 5.254 -2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.578 6.283 -3.769 1.00 0.00 H new ATOM 74 N VAL A 68 9.797 4.779 -3.019 1.00 0.00 N ATOM 75 CA VAL A 68 8.728 5.759 -2.665 1.00 0.00 C ATOM 76 C VAL A 68 7.854 5.186 -1.547 1.00 0.00 C ATOM 77 O VAL A 68 7.533 5.858 -0.587 1.00 0.00 O ATOM 78 CB VAL A 68 7.853 6.015 -3.898 1.00 0.00 C ATOM 79 CG1 VAL A 68 6.647 6.875 -3.508 1.00 0.00 C ATOM 80 CG2 VAL A 68 8.674 6.743 -4.967 1.00 0.00 C ATOM 0 H VAL A 68 9.740 4.405 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 68 9.186 6.690 -2.330 1.00 0.00 H new ATOM 0 HB VAL A 68 7.503 5.062 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.028 7.054 -4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.060 6.356 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.994 7.828 -3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.051 6.925 -5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.027 7.694 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.529 6.129 -5.250 1.00 0.00 H new ATOM 90 N ALA A 69 7.460 3.951 -1.681 1.00 0.00 N ATOM 91 CA ALA A 69 6.593 3.314 -0.648 1.00 0.00 C ATOM 92 C ALA A 69 7.366 3.173 0.661 1.00 0.00 C ATOM 93 O ALA A 69 6.835 3.378 1.735 1.00 0.00 O ATOM 94 CB ALA A 69 6.169 1.925 -1.135 1.00 0.00 C ATOM 0 H ALA A 69 7.703 3.350 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 69 5.713 3.935 -0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.535 1.454 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.616 2.020 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.055 1.311 -1.299 1.00 0.00 H new ATOM 100 N ASP A 70 8.619 2.819 0.575 1.00 0.00 N ATOM 101 CA ASP A 70 9.445 2.654 1.807 1.00 0.00 C ATOM 102 C ASP A 70 9.595 3.999 2.518 1.00 0.00 C ATOM 103 O ASP A 70 9.534 4.082 3.729 1.00 0.00 O ATOM 104 CB ASP A 70 10.834 2.124 1.426 1.00 0.00 C ATOM 105 CG ASP A 70 10.736 0.646 1.038 1.00 0.00 C ATOM 106 OD1 ASP A 70 9.695 0.058 1.281 1.00 0.00 O ATOM 107 OD2 ASP A 70 11.706 0.125 0.514 1.00 0.00 O ATOM 0 H ASP A 70 9.110 2.636 -0.300 1.00 0.00 H new ATOM 0 HA ASP A 70 8.952 1.947 2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.238 2.702 0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.522 2.245 2.263 1.00 0.00 H new ATOM 112 N ASP A 71 9.799 5.052 1.773 1.00 0.00 N ATOM 113 CA ASP A 71 9.967 6.397 2.396 1.00 0.00 C ATOM 114 C ASP A 71 8.697 6.771 3.158 1.00 0.00 C ATOM 115 O ASP A 71 8.747 7.266 4.267 1.00 0.00 O ATOM 116 CB ASP A 71 10.218 7.436 1.297 1.00 0.00 C ATOM 117 CG ASP A 71 10.407 8.816 1.928 1.00 0.00 C ATOM 118 OD1 ASP A 71 10.219 8.928 3.128 1.00 0.00 O ATOM 119 OD2 ASP A 71 10.738 9.740 1.202 1.00 0.00 O ATOM 0 H ASP A 71 9.857 5.038 0.755 1.00 0.00 H new ATOM 0 HA ASP A 71 10.812 6.374 3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.103 7.164 0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.379 7.455 0.602 1.00 0.00 H new ATOM 124 N TRP A 72 7.560 6.535 2.565 1.00 0.00 N ATOM 125 CA TRP A 72 6.271 6.864 3.237 1.00 0.00 C ATOM 126 C TRP A 72 6.131 6.027 4.505 1.00 0.00 C ATOM 127 O TRP A 72 5.631 6.484 5.514 1.00 0.00 O ATOM 128 CB TRP A 72 5.105 6.556 2.292 1.00 0.00 C ATOM 129 CG TRP A 72 3.813 6.826 2.994 1.00 0.00 C ATOM 130 CD1 TRP A 72 3.164 8.013 2.993 1.00 0.00 C ATOM 131 CD2 TRP A 72 3.006 5.919 3.801 1.00 0.00 C ATOM 132 NE1 TRP A 72 2.011 7.892 3.749 1.00 0.00 N ATOM 133 CE2 TRP A 72 1.869 6.620 4.267 1.00 0.00 C ATOM 134 CE3 TRP A 72 3.148 4.569 4.171 1.00 0.00 C ATOM 135 CZ2 TRP A 72 0.910 6.005 5.072 1.00 0.00 C ATOM 136 CZ3 TRP A 72 2.184 3.946 4.980 1.00 0.00 C ATOM 137 CH2 TRP A 72 1.067 4.663 5.429 1.00 0.00 C ATOM 0 H TRP A 72 7.468 6.125 1.636 1.00 0.00 H new ATOM 0 HA TRP A 72 6.258 7.923 3.495 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.179 7.169 1.394 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.147 5.515 1.972 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.492 8.908 2.486 1.00 0.00 H new ATOM 0 HE1 TRP A 72 1.347 8.650 3.905 1.00 0.00 H new ATOM 0 HE3 TRP A 72 4.005 4.007 3.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.052 6.562 5.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 2.304 2.909 5.257 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.328 4.179 6.050 1.00 0.00 H new ATOM 148 N LEU A 73 6.559 4.797 4.452 1.00 0.00 N ATOM 149 CA LEU A 73 6.449 3.910 5.641 1.00 0.00 C ATOM 150 C LEU A 73 7.272 4.488 6.791 1.00 0.00 C ATOM 151 O LEU A 73 6.848 4.495 7.932 1.00 0.00 O ATOM 152 CB LEU A 73 6.986 2.512 5.287 1.00 0.00 C ATOM 153 CG LEU A 73 6.973 1.614 6.532 1.00 0.00 C ATOM 154 CD1 LEU A 73 5.557 1.569 7.129 1.00 0.00 C ATOM 155 CD2 LEU A 73 7.409 0.197 6.146 1.00 0.00 C ATOM 0 H LEU A 73 6.983 4.366 3.630 1.00 0.00 H new ATOM 0 HA LEU A 73 5.404 3.838 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.376 2.067 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.000 2.591 4.896 1.00 0.00 H new ATOM 0 HG LEU A 73 7.662 2.019 7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.555 0.930 8.012 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.248 2.576 7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.863 1.169 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.400 -0.440 7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.722 -0.205 5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.416 0.227 5.731 1.00 0.00 H new ATOM 167 N LYS A 74 8.450 4.959 6.500 1.00 0.00 N ATOM 168 CA LYS A 74 9.324 5.532 7.565 1.00 0.00 C ATOM 169 C LYS A 74 8.662 6.774 8.155 1.00 0.00 C ATOM 170 O LYS A 74 8.647 6.967 9.355 1.00 0.00 O ATOM 171 CB LYS A 74 10.675 5.920 6.951 1.00 0.00 C ATOM 172 CG LYS A 74 11.388 4.672 6.410 1.00 0.00 C ATOM 173 CD LYS A 74 11.831 3.771 7.575 1.00 0.00 C ATOM 174 CE LYS A 74 12.909 2.803 7.097 1.00 0.00 C ATOM 175 NZ LYS A 74 12.346 1.914 6.042 1.00 0.00 N ATOM 0 H LYS A 74 8.851 4.973 5.562 1.00 0.00 H new ATOM 0 HA LYS A 74 9.474 4.793 8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.524 6.639 6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.298 6.407 7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.721 4.121 5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.254 4.966 5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.214 4.381 8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.977 3.216 7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.762 3.357 6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.274 2.207 7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.997 1.121 5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.425 1.545 6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.223 2.454 5.162 1.00 0.00 H new ATOM 189 N GLN A 75 8.119 7.612 7.321 1.00 0.00 N ATOM 190 CA GLN A 75 7.453 8.849 7.821 1.00 0.00 C ATOM 191 C GLN A 75 6.141 8.479 8.514 1.00 0.00 C ATOM 192 O GLN A 75 5.800 9.009 9.553 1.00 0.00 O ATOM 193 CB GLN A 75 7.152 9.775 6.634 1.00 0.00 C ATOM 194 CG GLN A 75 8.460 10.188 5.954 1.00 0.00 C ATOM 195 CD GLN A 75 9.307 11.014 6.924 1.00 0.00 C ATOM 196 OE1 GLN A 75 8.844 11.995 7.472 1.00 0.00 O ATOM 197 NE2 GLN A 75 10.537 10.653 7.165 1.00 0.00 N ATOM 0 H GLN A 75 8.106 7.495 6.308 1.00 0.00 H new ATOM 0 HA GLN A 75 8.109 9.355 8.529 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.505 9.267 5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.615 10.659 6.978 1.00 0.00 H new ATOM 0 HG2 GLN A 75 9.012 9.303 5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.247 10.769 5.057 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.926 9.830 6.705 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.110 11.194 7.813 1.00 0.00 H new ATOM 206 N TYR A 76 5.404 7.571 7.936 1.00 0.00 N ATOM 207 CA TYR A 76 4.104 7.152 8.531 1.00 0.00 C ATOM 208 C TYR A 76 4.370 6.319 9.787 1.00 0.00 C ATOM 209 O TYR A 76 3.477 6.037 10.560 1.00 0.00 O ATOM 210 CB TYR A 76 3.326 6.321 7.499 1.00 0.00 C ATOM 211 CG TYR A 76 1.930 6.042 8.006 1.00 0.00 C ATOM 212 CD1 TYR A 76 0.950 7.042 7.949 1.00 0.00 C ATOM 213 CD2 TYR A 76 1.613 4.783 8.530 1.00 0.00 C ATOM 214 CE1 TYR A 76 -0.345 6.782 8.417 1.00 0.00 C ATOM 215 CE2 TYR A 76 0.319 4.524 8.998 1.00 0.00 C ATOM 216 CZ TYR A 76 -0.660 5.524 8.941 1.00 0.00 C ATOM 217 OH TYR A 76 -1.935 5.267 9.404 1.00 0.00 O ATOM 0 H TYR A 76 5.650 7.096 7.067 1.00 0.00 H new ATOM 0 HA TYR A 76 3.516 8.028 8.804 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.277 6.857 6.551 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.847 5.383 7.308 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.193 8.013 7.544 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.367 4.011 8.573 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.100 7.553 8.373 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.076 3.553 9.403 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.984 4.345 9.733 1.00 0.00 H new ATOM 227 N ALA A 77 5.602 5.935 10.000 1.00 0.00 N ATOM 228 CA ALA A 77 5.941 5.130 11.208 1.00 0.00 C ATOM 229 C ALA A 77 5.549 5.927 12.452 1.00 0.00 C ATOM 230 O ALA A 77 5.310 5.378 13.510 1.00 0.00 O ATOM 231 CB ALA A 77 7.452 4.855 11.233 1.00 0.00 C ATOM 0 H ALA A 77 6.389 6.146 9.387 1.00 0.00 H new ATOM 0 HA ALA A 77 5.404 4.182 11.187 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.700 4.266 12.116 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.736 4.303 10.337 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.993 5.801 11.263 1.00 0.00 H new ATOM 237 N ASN A 78 5.490 7.224 12.319 1.00 0.00 N ATOM 238 CA ASN A 78 5.125 8.098 13.475 1.00 0.00 C ATOM 239 C ASN A 78 3.610 8.105 13.677 1.00 0.00 C ATOM 240 O ASN A 78 2.889 7.328 13.083 1.00 0.00 O ATOM 241 CB ASN A 78 5.602 9.527 13.193 1.00 0.00 C ATOM 242 CG ASN A 78 7.131 9.576 13.258 1.00 0.00 C ATOM 243 OD1 ASN A 78 7.754 8.690 13.809 1.00 0.00 O ATOM 244 ND2 ASN A 78 7.766 10.577 12.713 1.00 0.00 N ATOM 0 H ASN A 78 5.681 7.723 11.450 1.00 0.00 H new ATOM 0 HA ASN A 78 5.601 7.713 14.377 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.258 9.849 12.210 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.174 10.215 13.922 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.785 10.615 12.750 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.244 11.321 12.250 1.00 0.00 H new ATOM 251 N ASP A 79 3.140 8.984 14.524 1.00 0.00 N ATOM 252 CA ASP A 79 1.679 9.089 14.813 1.00 0.00 C ATOM 253 C ASP A 79 1.141 7.736 15.279 1.00 0.00 C ATOM 254 O ASP A 79 0.878 7.526 16.447 1.00 0.00 O ATOM 255 CB ASP A 79 0.924 9.519 13.553 1.00 0.00 C ATOM 256 CG ASP A 79 1.257 10.976 13.225 1.00 0.00 C ATOM 257 OD1 ASP A 79 1.825 11.641 14.076 1.00 0.00 O ATOM 258 OD2 ASP A 79 0.939 11.400 12.127 1.00 0.00 O ATOM 0 H ASP A 79 3.720 9.647 15.038 1.00 0.00 H new ATOM 0 HA ASP A 79 1.532 9.832 15.597 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.197 8.876 12.716 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.150 9.406 13.704 1.00 0.00 H new ATOM 263 N VAL A 80 0.969 6.823 14.366 1.00 0.00 N ATOM 264 CA VAL A 80 0.429 5.477 14.718 1.00 0.00 C ATOM 265 C VAL A 80 1.418 4.706 15.589 1.00 0.00 C ATOM 266 O VAL A 80 2.596 5.001 15.643 1.00 0.00 O ATOM 267 CB VAL A 80 0.162 4.682 13.435 1.00 0.00 C ATOM 268 CG1 VAL A 80 -1.059 5.260 12.719 1.00 0.00 C ATOM 269 CG2 VAL A 80 1.384 4.763 12.508 1.00 0.00 C ATOM 0 H VAL A 80 1.182 6.952 13.377 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.498 5.612 15.275 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.026 3.640 13.693 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.248 4.694 11.807 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.929 5.195 13.373 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.872 6.304 12.466 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.188 4.196 11.598 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.578 5.805 12.252 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.254 4.346 13.015 1.00 0.00 H new ATOM 279 N LYS A 81 0.921 3.722 16.280 1.00 0.00 N ATOM 280 CA LYS A 81 1.774 2.905 17.184 1.00 0.00 C ATOM 281 C LYS A 81 2.785 2.081 16.392 1.00 0.00 C ATOM 282 O LYS A 81 2.572 1.726 15.251 1.00 0.00 O ATOM 283 CB LYS A 81 0.884 1.966 18.013 1.00 0.00 C ATOM 284 CG LYS A 81 1.625 1.553 19.298 1.00 0.00 C ATOM 285 CD LYS A 81 1.377 2.594 20.395 1.00 0.00 C ATOM 286 CE LYS A 81 2.083 2.163 21.678 1.00 0.00 C ATOM 287 NZ LYS A 81 1.824 3.170 22.744 1.00 0.00 N ATOM 0 H LYS A 81 -0.060 3.444 16.256 1.00 0.00 H new ATOM 0 HA LYS A 81 2.323 3.579 17.842 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.052 2.464 18.265 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.627 1.082 17.429 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.281 0.573 19.629 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.693 1.466 19.101 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.745 3.569 20.075 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.307 2.700 20.575 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.724 1.183 21.993 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.155 2.069 21.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.304 2.880 23.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.187 4.097 22.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.801 3.238 22.916 1.00 0.00 H new ATOM 301 N VAL A 82 3.888 1.776 17.015 1.00 0.00 N ATOM 302 CA VAL A 82 4.958 0.979 16.351 1.00 0.00 C ATOM 303 C VAL A 82 4.422 -0.410 15.991 1.00 0.00 C ATOM 304 O VAL A 82 4.655 -0.913 14.908 1.00 0.00 O ATOM 305 CB VAL A 82 6.141 0.830 17.318 1.00 0.00 C ATOM 306 CG1 VAL A 82 7.191 -0.102 16.707 1.00 0.00 C ATOM 307 CG2 VAL A 82 6.764 2.204 17.577 1.00 0.00 C ATOM 0 H VAL A 82 4.098 2.050 17.975 1.00 0.00 H new ATOM 0 HA VAL A 82 5.280 1.487 15.442 1.00 0.00 H new ATOM 0 HB VAL A 82 5.788 0.408 18.259 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.030 -0.206 17.395 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.747 -1.081 16.525 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.545 0.317 15.765 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.604 2.099 18.264 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.115 2.628 16.636 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.017 2.865 18.016 1.00 0.00 H new ATOM 317 N SER A 83 3.716 -1.034 16.894 1.00 0.00 N ATOM 318 CA SER A 83 3.165 -2.398 16.619 1.00 0.00 C ATOM 319 C SER A 83 2.222 -2.346 15.418 1.00 0.00 C ATOM 320 O SER A 83 2.256 -3.196 14.550 1.00 0.00 O ATOM 321 CB SER A 83 2.388 -2.885 17.847 1.00 0.00 C ATOM 322 OG SER A 83 1.591 -4.004 17.486 1.00 0.00 O ATOM 0 H SER A 83 3.494 -0.658 17.816 1.00 0.00 H new ATOM 0 HA SER A 83 3.987 -3.080 16.403 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.079 -3.159 18.644 1.00 0.00 H new ATOM 0 HB3 SER A 83 1.757 -2.084 18.233 1.00 0.00 H new ATOM 0 HG SER A 83 1.094 -4.318 18.270 1.00 0.00 H new ATOM 328 N SER A 84 1.377 -1.352 15.367 1.00 0.00 N ATOM 329 CA SER A 84 0.420 -1.228 14.228 1.00 0.00 C ATOM 330 C SER A 84 1.199 -1.048 12.925 1.00 0.00 C ATOM 331 O SER A 84 0.857 -1.609 11.903 1.00 0.00 O ATOM 332 CB SER A 84 -0.483 -0.012 14.449 1.00 0.00 C ATOM 333 OG SER A 84 -1.420 0.078 13.385 1.00 0.00 O ATOM 0 H SER A 84 1.308 -0.616 16.069 1.00 0.00 H new ATOM 0 HA SER A 84 -0.190 -2.130 14.168 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.005 -0.101 15.402 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.117 0.897 14.498 1.00 0.00 H new ATOM 0 HG SER A 84 -2.000 0.855 13.525 1.00 0.00 H new ATOM 339 N VAL A 85 2.240 -0.264 12.959 1.00 0.00 N ATOM 340 CA VAL A 85 3.053 -0.026 11.729 1.00 0.00 C ATOM 341 C VAL A 85 3.638 -1.352 11.243 1.00 0.00 C ATOM 342 O VAL A 85 3.646 -1.643 10.062 1.00 0.00 O ATOM 343 CB VAL A 85 4.195 0.947 12.053 1.00 0.00 C ATOM 344 CG1 VAL A 85 5.153 1.033 10.859 1.00 0.00 C ATOM 345 CG2 VAL A 85 3.616 2.337 12.342 1.00 0.00 C ATOM 0 H VAL A 85 2.567 0.227 13.791 1.00 0.00 H new ATOM 0 HA VAL A 85 2.420 0.401 10.951 1.00 0.00 H new ATOM 0 HB VAL A 85 4.737 0.588 12.928 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.963 1.724 11.091 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.567 0.046 10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.611 1.390 9.983 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.427 3.028 12.572 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.072 2.694 11.467 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.937 2.279 13.192 1.00 0.00 H new ATOM 355 N ARG A 86 4.136 -2.150 12.143 1.00 0.00 N ATOM 356 CA ARG A 86 4.737 -3.456 11.745 1.00 0.00 C ATOM 357 C ARG A 86 3.703 -4.295 11.003 1.00 0.00 C ATOM 358 O ARG A 86 3.992 -4.893 9.983 1.00 0.00 O ATOM 359 CB ARG A 86 5.168 -4.209 13.013 1.00 0.00 C ATOM 360 CG ARG A 86 6.398 -3.534 13.639 1.00 0.00 C ATOM 361 CD ARG A 86 7.669 -4.074 12.973 1.00 0.00 C ATOM 362 NE ARG A 86 8.860 -3.367 13.519 1.00 0.00 N ATOM 363 CZ ARG A 86 9.388 -3.738 14.655 1.00 0.00 C ATOM 364 NH1 ARG A 86 8.877 -4.729 15.337 1.00 0.00 N ATOM 365 NH2 ARG A 86 10.438 -3.114 15.108 1.00 0.00 N ATOM 0 H ARG A 86 4.154 -1.955 13.144 1.00 0.00 H new ATOM 0 HA ARG A 86 5.595 -3.279 11.096 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.348 -4.225 13.731 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.398 -5.246 12.768 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.338 -2.453 13.511 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.426 -3.727 14.711 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.757 -5.146 13.151 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.614 -3.933 11.894 1.00 0.00 H new ATOM 0 HE ARG A 86 9.267 -2.587 13.002 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.057 -5.222 14.984 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.298 -5.009 16.223 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.841 -2.342 14.577 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.857 -3.397 15.994 1.00 0.00 H new ATOM 379 N ALA A 87 2.507 -4.342 11.510 1.00 0.00 N ATOM 380 CA ALA A 87 1.436 -5.141 10.846 1.00 0.00 C ATOM 381 C ALA A 87 1.084 -4.507 9.499 1.00 0.00 C ATOM 382 O ALA A 87 0.846 -5.192 8.523 1.00 0.00 O ATOM 383 CB ALA A 87 0.194 -5.157 11.740 1.00 0.00 C ATOM 0 H ALA A 87 2.220 -3.859 12.361 1.00 0.00 H new ATOM 0 HA ALA A 87 1.787 -6.160 10.685 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.592 -5.740 11.260 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.443 -5.607 12.701 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.155 -4.136 11.897 1.00 0.00 H new ATOM 389 N ARG A 88 1.048 -3.204 9.445 1.00 0.00 N ATOM 390 CA ARG A 88 0.713 -2.510 8.168 1.00 0.00 C ATOM 391 C ARG A 88 1.824 -2.755 7.151 1.00 0.00 C ATOM 392 O ARG A 88 1.573 -2.922 5.975 1.00 0.00 O ATOM 393 CB ARG A 88 0.579 -1.003 8.422 1.00 0.00 C ATOM 394 CG ARG A 88 -0.695 -0.726 9.222 1.00 0.00 C ATOM 395 CD ARG A 88 -0.799 0.773 9.515 1.00 0.00 C ATOM 396 NE ARG A 88 -2.024 1.045 10.327 1.00 0.00 N ATOM 397 CZ ARG A 88 -3.184 1.219 9.748 1.00 0.00 C ATOM 398 NH1 ARG A 88 -3.299 1.151 8.450 1.00 0.00 N ATOM 399 NH2 ARG A 88 -4.237 1.466 10.480 1.00 0.00 N ATOM 0 H ARG A 88 1.237 -2.586 10.234 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.229 -2.898 7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.449 -0.638 8.968 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.549 -0.466 7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.569 -1.059 8.662 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.681 -1.289 10.155 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.087 1.110 10.052 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.838 1.334 8.581 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.955 1.095 11.343 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.479 0.960 7.875 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.209 1.289 8.011 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.151 1.522 11.495 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.145 1.603 10.037 1.00 0.00 H new ATOM 413 N GLU A 89 3.051 -2.767 7.602 1.00 0.00 N ATOM 414 CA GLU A 89 4.202 -2.989 6.679 1.00 0.00 C ATOM 415 C GLU A 89 4.067 -4.354 5.999 1.00 0.00 C ATOM 416 O GLU A 89 4.275 -4.491 4.809 1.00 0.00 O ATOM 417 CB GLU A 89 5.511 -2.954 7.482 1.00 0.00 C ATOM 418 CG GLU A 89 6.698 -3.155 6.535 1.00 0.00 C ATOM 419 CD GLU A 89 8.018 -3.021 7.299 1.00 0.00 C ATOM 420 OE1 GLU A 89 7.979 -2.996 8.518 1.00 0.00 O ATOM 421 OE2 GLU A 89 9.049 -2.947 6.648 1.00 0.00 O ATOM 0 H GLU A 89 3.307 -2.631 8.580 1.00 0.00 H new ATOM 0 HA GLU A 89 4.210 -2.206 5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.605 -2.001 8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.504 -3.734 8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.638 -4.139 6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.659 -2.420 5.731 1.00 0.00 H new ATOM 428 N LYS A 90 3.726 -5.361 6.753 1.00 0.00 N ATOM 429 CA LYS A 90 3.578 -6.729 6.174 1.00 0.00 C ATOM 430 C LYS A 90 2.426 -6.750 5.168 1.00 0.00 C ATOM 431 O LYS A 90 2.486 -7.416 4.151 1.00 0.00 O ATOM 432 CB LYS A 90 3.284 -7.729 7.299 1.00 0.00 C ATOM 433 CG LYS A 90 4.517 -7.862 8.197 1.00 0.00 C ATOM 434 CD LYS A 90 4.238 -8.874 9.312 1.00 0.00 C ATOM 435 CE LYS A 90 5.495 -9.051 10.168 1.00 0.00 C ATOM 436 NZ LYS A 90 5.838 -7.757 10.824 1.00 0.00 N ATOM 0 H LYS A 90 3.542 -5.296 7.754 1.00 0.00 H new ATOM 0 HA LYS A 90 4.503 -7.003 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.428 -7.393 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.021 -8.699 6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.375 -8.184 7.607 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.771 -6.893 8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.409 -8.530 9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.940 -9.831 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.329 -9.820 10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.326 -9.387 9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.468 -7.934 11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.318 -7.137 10.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.968 -7.296 11.158 1.00 0.00 H new ATOM 450 N ALA A 91 1.368 -6.048 5.460 1.00 0.00 N ATOM 451 CA ALA A 91 0.188 -6.034 4.545 1.00 0.00 C ATOM 452 C ALA A 91 0.565 -5.431 3.189 1.00 0.00 C ATOM 453 O ALA A 91 0.228 -5.961 2.148 1.00 0.00 O ATOM 454 CB ALA A 91 -0.925 -5.189 5.172 1.00 0.00 C ATOM 0 H ALA A 91 1.267 -5.478 6.300 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.151 -7.059 4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.789 -5.175 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.212 -5.619 6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.567 -4.170 5.323 1.00 0.00 H new ATOM 460 N ILE A 92 1.250 -4.322 3.198 1.00 0.00 N ATOM 461 CA ILE A 92 1.640 -3.665 1.915 1.00 0.00 C ATOM 462 C ILE A 92 2.829 -4.405 1.305 1.00 0.00 C ATOM 463 O ILE A 92 3.141 -4.250 0.140 1.00 0.00 O ATOM 464 CB ILE A 92 2.032 -2.205 2.198 1.00 0.00 C ATOM 465 CG1 ILE A 92 3.203 -2.162 3.190 1.00 0.00 C ATOM 466 CG2 ILE A 92 0.832 -1.465 2.796 1.00 0.00 C ATOM 467 CD1 ILE A 92 3.621 -0.709 3.434 1.00 0.00 C ATOM 0 H ILE A 92 1.559 -3.839 4.041 1.00 0.00 H new ATOM 0 HA ILE A 92 0.803 -3.692 1.217 1.00 0.00 H new ATOM 0 HB ILE A 92 2.333 -1.726 1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.912 -2.630 4.131 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.045 -2.732 2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.107 -0.430 2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.001 -1.489 2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.533 -1.949 3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.452 -0.683 4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.930 -0.256 2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.779 -0.152 3.846 1.00 0.00 H new ATOM 479 N GLN A 93 3.492 -5.206 2.092 1.00 0.00 N ATOM 480 CA GLN A 93 4.673 -5.963 1.586 1.00 0.00 C ATOM 481 C GLN A 93 4.251 -6.794 0.374 1.00 0.00 C ATOM 482 O GLN A 93 4.985 -6.927 -0.587 1.00 0.00 O ATOM 483 CB GLN A 93 5.183 -6.897 2.689 1.00 0.00 C ATOM 484 CG GLN A 93 6.507 -7.530 2.262 1.00 0.00 C ATOM 485 CD GLN A 93 7.594 -6.454 2.193 1.00 0.00 C ATOM 486 OE1 GLN A 93 7.632 -5.558 3.014 1.00 0.00 O ATOM 487 NE2 GLN A 93 8.486 -6.507 1.244 1.00 0.00 N ATOM 0 H GLN A 93 3.265 -5.370 3.073 1.00 0.00 H new ATOM 0 HA GLN A 93 5.463 -5.269 1.300 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.318 -6.340 3.616 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.446 -7.674 2.889 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.795 -8.307 2.970 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.395 -8.010 1.290 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.454 -7.259 0.555 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.216 -5.797 1.190 1.00 0.00 H new ATOM 496 N HIS A 94 3.070 -7.348 0.415 1.00 0.00 N ATOM 497 CA HIS A 94 2.579 -8.171 -0.727 1.00 0.00 C ATOM 498 C HIS A 94 2.450 -7.285 -1.965 1.00 0.00 C ATOM 499 O HIS A 94 2.783 -7.684 -3.065 1.00 0.00 O ATOM 500 CB HIS A 94 1.201 -8.747 -0.377 1.00 0.00 C ATOM 501 CG HIS A 94 1.344 -9.735 0.747 1.00 0.00 C ATOM 502 ND1 HIS A 94 1.821 -11.019 0.541 1.00 0.00 N ATOM 503 CD2 HIS A 94 1.079 -9.644 2.091 1.00 0.00 C ATOM 504 CE1 HIS A 94 1.829 -11.645 1.732 1.00 0.00 C ATOM 505 NE2 HIS A 94 1.387 -10.852 2.712 1.00 0.00 N ATOM 0 H HIS A 94 2.420 -7.265 1.196 1.00 0.00 H new ATOM 0 HA HIS A 94 3.280 -8.982 -0.924 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.522 -7.945 -0.087 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.765 -9.233 -1.250 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.691 -8.769 2.591 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.153 -12.665 1.878 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.295 -11.082 3.702 1.00 0.00 H new ATOM 513 N ALA A 95 1.971 -6.085 -1.787 1.00 0.00 N ATOM 514 CA ALA A 95 1.814 -5.155 -2.943 1.00 0.00 C ATOM 515 C ALA A 95 3.189 -4.860 -3.542 1.00 0.00 C ATOM 516 O ALA A 95 3.368 -4.844 -4.743 1.00 0.00 O ATOM 517 CB ALA A 95 1.185 -3.844 -2.450 1.00 0.00 C ATOM 0 H ALA A 95 1.680 -5.706 -0.886 1.00 0.00 H new ATOM 0 HA ALA A 95 1.175 -5.610 -3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.067 -3.159 -3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.209 -4.051 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.832 -3.390 -1.699 1.00 0.00 H new ATOM 523 N ILE A 96 4.164 -4.636 -2.706 1.00 0.00 N ATOM 524 CA ILE A 96 5.539 -4.341 -3.203 1.00 0.00 C ATOM 525 C ILE A 96 6.060 -5.547 -3.983 1.00 0.00 C ATOM 526 O ILE A 96 6.659 -5.407 -5.032 1.00 0.00 O ATOM 527 CB ILE A 96 6.463 -4.054 -2.012 1.00 0.00 C ATOM 528 CG1 ILE A 96 6.060 -2.725 -1.360 1.00 0.00 C ATOM 529 CG2 ILE A 96 7.913 -3.965 -2.495 1.00 0.00 C ATOM 530 CD1 ILE A 96 6.781 -2.562 -0.019 1.00 0.00 C ATOM 0 H ILE A 96 4.067 -4.645 -1.691 1.00 0.00 H new ATOM 0 HA ILE A 96 5.516 -3.469 -3.856 1.00 0.00 H new ATOM 0 HB ILE A 96 6.373 -4.860 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.311 -1.895 -2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.981 -2.697 -1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.567 -3.761 -1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.201 -4.909 -2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.005 -3.161 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.490 -1.616 0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.508 -3.384 0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.859 -2.570 -0.182 1.00 0.00 H new ATOM 542 N GLU A 97 5.848 -6.726 -3.471 1.00 0.00 N ATOM 543 CA GLU A 97 6.331 -7.948 -4.174 1.00 0.00 C ATOM 544 C GLU A 97 5.577 -8.110 -5.494 1.00 0.00 C ATOM 545 O GLU A 97 6.140 -8.490 -6.499 1.00 0.00 O ATOM 546 CB GLU A 97 6.081 -9.182 -3.301 1.00 0.00 C ATOM 547 CG GLU A 97 6.657 -10.417 -3.998 1.00 0.00 C ATOM 548 CD GLU A 97 6.498 -11.647 -3.102 1.00 0.00 C ATOM 549 OE1 GLU A 97 6.216 -11.471 -1.929 1.00 0.00 O ATOM 550 OE2 GLU A 97 6.663 -12.747 -3.607 1.00 0.00 O ATOM 0 H GLU A 97 5.359 -6.898 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 97 7.399 -7.848 -4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.546 -9.051 -2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.012 -9.311 -3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.146 -10.580 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.711 -10.257 -4.226 1.00 0.00 H new ATOM 557 N ARG A 98 4.302 -7.831 -5.493 1.00 0.00 N ATOM 558 CA ARG A 98 3.494 -7.975 -6.743 1.00 0.00 C ATOM 559 C ARG A 98 3.898 -6.894 -7.747 1.00 0.00 C ATOM 560 O ARG A 98 4.001 -7.141 -8.934 1.00 0.00 O ATOM 561 CB ARG A 98 2.005 -7.832 -6.406 1.00 0.00 C ATOM 562 CG ARG A 98 1.530 -9.068 -5.634 1.00 0.00 C ATOM 563 CD ARG A 98 0.065 -8.883 -5.211 1.00 0.00 C ATOM 564 NE ARG A 98 -0.393 -10.094 -4.461 1.00 0.00 N ATOM 565 CZ ARG A 98 -1.490 -10.053 -3.748 1.00 0.00 C ATOM 566 NH1 ARG A 98 -2.206 -8.961 -3.688 1.00 0.00 N ATOM 567 NH2 ARG A 98 -1.874 -11.114 -3.091 1.00 0.00 N ATOM 0 H ARG A 98 3.781 -7.508 -4.678 1.00 0.00 H new ATOM 0 HA ARG A 98 3.676 -8.957 -7.180 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.842 -6.934 -5.810 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.424 -7.717 -7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.629 -9.958 -6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.156 -9.222 -4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.035 -7.995 -4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.562 -8.727 -6.089 1.00 0.00 H new ATOM 0 HE ARG A 98 0.152 -10.955 -4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.912 -8.129 -4.200 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.059 -8.941 -3.129 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.320 -11.969 -3.135 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.728 -11.088 -2.534 1.00 0.00 H new ATOM 581 N PHE A 99 4.127 -5.698 -7.277 1.00 0.00 N ATOM 582 CA PHE A 99 4.524 -4.580 -8.183 1.00 0.00 C ATOM 583 C PHE A 99 6.046 -4.496 -8.219 1.00 0.00 C ATOM 584 O PHE A 99 6.622 -3.477 -8.551 1.00 0.00 O ATOM 585 CB PHE A 99 3.931 -3.258 -7.671 1.00 0.00 C ATOM 586 CG PHE A 99 2.417 -3.319 -7.748 1.00 0.00 C ATOM 587 CD1 PHE A 99 1.785 -3.483 -8.990 1.00 0.00 C ATOM 588 CD2 PHE A 99 1.644 -3.221 -6.583 1.00 0.00 C ATOM 589 CE1 PHE A 99 0.391 -3.546 -9.065 1.00 0.00 C ATOM 590 CE2 PHE A 99 0.249 -3.286 -6.660 1.00 0.00 C ATOM 591 CZ PHE A 99 -0.378 -3.448 -7.901 1.00 0.00 C ATOM 0 H PHE A 99 4.055 -5.444 -6.292 1.00 0.00 H new ATOM 0 HA PHE A 99 4.144 -4.763 -9.188 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.247 -3.080 -6.643 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.303 -2.425 -8.268 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.377 -3.561 -9.890 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.126 -3.095 -5.625 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.093 -3.670 -10.023 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.345 -3.211 -5.761 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.455 -3.497 -7.960 1.00 0.00 H new ATOM 601 N ASN A 100 6.696 -5.571 -7.869 1.00 0.00 N ATOM 602 CA ASN A 100 8.185 -5.596 -7.869 1.00 0.00 C ATOM 603 C ASN A 100 8.703 -5.401 -9.291 1.00 0.00 C ATOM 604 O ASN A 100 9.686 -4.725 -9.516 1.00 0.00 O ATOM 605 CB ASN A 100 8.668 -6.954 -7.341 1.00 0.00 C ATOM 606 CG ASN A 100 8.335 -8.065 -8.347 1.00 0.00 C ATOM 607 OD1 ASN A 100 9.219 -8.752 -8.822 1.00 0.00 O ATOM 608 ND2 ASN A 100 7.095 -8.279 -8.687 1.00 0.00 N ATOM 0 H ASN A 100 6.253 -6.443 -7.580 1.00 0.00 H new ATOM 0 HA ASN A 100 8.559 -4.794 -7.232 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.743 -6.922 -7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.195 -7.168 -6.382 1.00 0.00 H new ATOM 0 HD21 ASN A 100 6.869 -9.021 -9.349 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.351 -7.705 -8.291 1.00 0.00 H new ATOM 615 N THR A 101 8.055 -6.003 -10.251 1.00 0.00 N ATOM 616 CA THR A 101 8.510 -5.875 -11.665 1.00 0.00 C ATOM 617 C THR A 101 7.728 -4.755 -12.341 1.00 0.00 C ATOM 618 O THR A 101 8.154 -4.200 -13.337 1.00 0.00 O ATOM 619 CB THR A 101 8.231 -7.195 -12.405 1.00 0.00 C ATOM 620 OG1 THR A 101 8.156 -6.946 -13.799 1.00 0.00 O ATOM 621 CG2 THR A 101 6.899 -7.804 -11.929 1.00 0.00 C ATOM 0 H THR A 101 7.226 -6.581 -10.116 1.00 0.00 H new ATOM 0 HA THR A 101 9.577 -5.652 -11.691 1.00 0.00 H new ATOM 0 HB THR A 101 9.039 -7.895 -12.193 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.980 -7.786 -14.272 1.00 0.00 H new ATOM 0 HG21 THR A 101 6.715 -8.737 -12.461 1.00 0.00 H new ATOM 0 HG22 THR A 101 6.951 -8.001 -10.858 1.00 0.00 H new ATOM 0 HG23 THR A 101 6.087 -7.105 -12.130 1.00 0.00 H new ATOM 629 N LYS A 102 6.586 -4.413 -11.803 1.00 0.00 N ATOM 630 CA LYS A 102 5.761 -3.327 -12.409 1.00 0.00 C ATOM 631 C LYS A 102 5.972 -2.024 -11.617 1.00 0.00 C ATOM 632 O LYS A 102 6.005 -2.034 -10.400 1.00 0.00 O ATOM 633 CB LYS A 102 4.284 -3.713 -12.351 1.00 0.00 C ATOM 634 CG LYS A 102 3.985 -4.746 -13.442 1.00 0.00 C ATOM 635 CD LYS A 102 2.525 -5.222 -13.329 1.00 0.00 C ATOM 636 CE LYS A 102 2.435 -6.405 -12.359 1.00 0.00 C ATOM 637 NZ LYS A 102 1.007 -6.734 -12.104 1.00 0.00 N ATOM 0 H LYS A 102 6.188 -4.841 -10.967 1.00 0.00 H new ATOM 0 HA LYS A 102 6.061 -3.182 -13.447 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.042 -4.123 -11.370 1.00 0.00 H new ATOM 0 HB3 LYS A 102 3.660 -2.830 -12.490 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.159 -4.309 -14.425 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.662 -5.595 -13.346 1.00 0.00 H new ATOM 0 HD2 LYS A 102 1.893 -4.405 -12.980 1.00 0.00 H new ATOM 0 HD3 LYS A 102 2.152 -5.516 -14.310 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.949 -7.271 -12.777 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.935 -6.159 -11.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.948 -7.537 -11.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.530 -5.909 -11.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 0.544 -6.986 -13.000 1.00 0.00 H new ATOM 651 N PRO A 103 6.104 -0.905 -12.294 1.00 0.00 N ATOM 652 CA PRO A 103 6.305 0.416 -11.631 1.00 0.00 C ATOM 653 C PRO A 103 5.028 0.943 -10.972 1.00 0.00 C ATOM 654 O PRO A 103 3.931 0.525 -11.286 1.00 0.00 O ATOM 655 CB PRO A 103 6.757 1.332 -12.775 1.00 0.00 C ATOM 656 CG PRO A 103 6.156 0.735 -14.008 1.00 0.00 C ATOM 657 CD PRO A 103 6.079 -0.770 -13.763 1.00 0.00 C ATOM 0 HA PRO A 103 7.027 0.356 -10.817 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.411 2.354 -12.622 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.844 1.370 -12.844 1.00 0.00 H new ATOM 0 HG2 PRO A 103 5.166 1.149 -14.197 1.00 0.00 H new ATOM 0 HG3 PRO A 103 6.766 0.955 -14.884 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.169 -1.195 -14.186 1.00 0.00 H new ATOM 0 HD3 PRO A 103 6.918 -1.291 -14.224 1.00 0.00 H new ATOM 665 N ILE A 104 5.177 1.863 -10.064 1.00 0.00 N ATOM 666 CA ILE A 104 3.996 2.441 -9.369 1.00 0.00 C ATOM 667 C ILE A 104 3.146 3.226 -10.374 1.00 0.00 C ATOM 668 O ILE A 104 1.956 3.398 -10.196 1.00 0.00 O ATOM 669 CB ILE A 104 4.471 3.379 -8.247 1.00 0.00 C ATOM 670 CG1 ILE A 104 3.256 3.978 -7.535 1.00 0.00 C ATOM 671 CG2 ILE A 104 5.332 4.511 -8.828 1.00 0.00 C ATOM 672 CD1 ILE A 104 3.707 4.691 -6.257 1.00 0.00 C ATOM 0 H ILE A 104 6.077 2.244 -9.770 1.00 0.00 H new ATOM 0 HA ILE A 104 3.396 1.639 -8.939 1.00 0.00 H new ATOM 0 HB ILE A 104 5.070 2.807 -7.538 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.746 4.680 -8.194 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.541 3.192 -7.292 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.661 5.168 -8.023 1.00 0.00 H new ATOM 0 HG22 ILE A 104 6.202 4.086 -9.329 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.744 5.084 -9.545 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.840 5.116 -5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.197 3.977 -5.596 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.405 5.488 -6.512 1.00 0.00 H new ATOM 684 N GLN A 105 3.759 3.712 -11.417 1.00 0.00 N ATOM 685 CA GLN A 105 3.015 4.505 -12.439 1.00 0.00 C ATOM 686 C GLN A 105 1.939 3.637 -13.099 1.00 0.00 C ATOM 687 O GLN A 105 0.931 4.132 -13.564 1.00 0.00 O ATOM 688 CB GLN A 105 3.996 4.986 -13.515 1.00 0.00 C ATOM 689 CG GLN A 105 3.301 5.994 -14.432 1.00 0.00 C ATOM 690 CD GLN A 105 3.009 7.279 -13.654 1.00 0.00 C ATOM 691 OE1 GLN A 105 3.846 7.761 -12.917 1.00 0.00 O ATOM 692 NE2 GLN A 105 1.844 7.852 -13.778 1.00 0.00 N ATOM 0 H GLN A 105 4.754 3.593 -11.608 1.00 0.00 H new ATOM 0 HA GLN A 105 2.541 5.358 -11.952 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.867 5.445 -13.048 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.357 4.138 -14.097 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.933 6.214 -15.293 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.373 5.571 -14.817 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.140 7.448 -14.396 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.637 8.704 -13.257 1.00 0.00 H new ATOM 701 N THR A 106 2.150 2.351 -13.155 1.00 0.00 N ATOM 702 CA THR A 106 1.146 1.451 -13.800 1.00 0.00 C ATOM 703 C THR A 106 0.009 1.151 -12.824 1.00 0.00 C ATOM 704 O THR A 106 -1.008 0.599 -13.197 1.00 0.00 O ATOM 705 CB THR A 106 1.838 0.140 -14.206 1.00 0.00 C ATOM 706 OG1 THR A 106 2.677 -0.303 -13.144 1.00 0.00 O ATOM 707 CG2 THR A 106 2.679 0.373 -15.464 1.00 0.00 C ATOM 0 H THR A 106 2.975 1.881 -12.782 1.00 0.00 H new ATOM 0 HA THR A 106 0.733 1.940 -14.682 1.00 0.00 H new ATOM 0 HB THR A 106 1.084 -0.620 -14.412 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.547 0.274 -12.362 1.00 0.00 H new ATOM 0 HG21 THR A 106 3.169 -0.557 -15.751 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.034 0.709 -16.276 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.433 1.133 -15.262 1.00 0.00 H new ATOM 715 N ILE A 107 0.162 1.522 -11.583 1.00 0.00 N ATOM 716 CA ILE A 107 -0.921 1.265 -10.585 1.00 0.00 C ATOM 717 C ILE A 107 -1.968 2.371 -10.669 1.00 0.00 C ATOM 718 O ILE A 107 -1.673 3.540 -10.526 1.00 0.00 O ATOM 719 CB ILE A 107 -0.324 1.218 -9.176 1.00 0.00 C ATOM 720 CG1 ILE A 107 0.598 -0.002 -9.067 1.00 0.00 C ATOM 721 CG2 ILE A 107 -1.450 1.107 -8.145 1.00 0.00 C ATOM 722 CD1 ILE A 107 1.362 0.031 -7.738 1.00 0.00 C ATOM 0 H ILE A 107 0.989 1.992 -11.214 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.394 0.308 -10.803 1.00 0.00 H new ATOM 0 HB ILE A 107 0.245 2.128 -8.985 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.011 -0.918 -9.135 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.301 -0.011 -9.900 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.023 1.074 -7.142 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.108 1.972 -8.231 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.021 0.197 -8.327 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.014 -0.840 -7.671 1.00 0.00 H new ATOM 0 HD12 ILE A 107 1.963 0.939 -7.686 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.653 0.018 -6.910 1.00 0.00 H new ATOM 734 N LYS A 108 -3.194 1.994 -10.903 1.00 0.00 N ATOM 735 CA LYS A 108 -4.300 2.994 -11.012 1.00 0.00 C ATOM 736 C LYS A 108 -5.561 2.463 -10.331 1.00 0.00 C ATOM 737 O LYS A 108 -5.508 1.636 -9.442 1.00 0.00 O ATOM 738 CB LYS A 108 -4.590 3.265 -12.490 1.00 0.00 C ATOM 739 CG LYS A 108 -4.912 1.952 -13.209 1.00 0.00 C ATOM 740 CD LYS A 108 -5.042 2.211 -14.714 1.00 0.00 C ATOM 741 CE LYS A 108 -5.281 0.887 -15.452 1.00 0.00 C ATOM 742 NZ LYS A 108 -6.725 0.527 -15.375 1.00 0.00 N ATOM 0 H LYS A 108 -3.483 1.024 -11.025 1.00 0.00 H new ATOM 0 HA LYS A 108 -3.997 3.918 -10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.428 3.956 -12.584 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.729 3.743 -12.957 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.126 1.220 -13.022 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -5.839 1.530 -12.820 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -5.867 2.898 -14.904 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.137 2.689 -15.089 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -4.973 0.979 -16.494 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.674 0.097 -15.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -6.828 -0.507 -15.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.121 0.872 -14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.235 0.964 -16.169 1.00 0.00 H new ATOM 756 N LYS A 109 -6.695 2.960 -10.739 1.00 0.00 N ATOM 757 CA LYS A 109 -7.983 2.539 -10.132 1.00 0.00 C ATOM 758 C LYS A 109 -8.190 1.042 -10.342 1.00 0.00 C ATOM 759 O LYS A 109 -8.638 0.336 -9.458 1.00 0.00 O ATOM 760 CB LYS A 109 -9.125 3.303 -10.810 1.00 0.00 C ATOM 761 CG LYS A 109 -9.027 4.789 -10.457 1.00 0.00 C ATOM 762 CD LYS A 109 -10.179 5.551 -11.117 1.00 0.00 C ATOM 763 CE LYS A 109 -10.084 7.035 -10.755 1.00 0.00 C ATOM 764 NZ LYS A 109 -11.217 7.774 -11.383 1.00 0.00 N ATOM 0 H LYS A 109 -6.782 3.653 -11.482 1.00 0.00 H new ATOM 0 HA LYS A 109 -7.968 2.754 -9.064 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -9.073 3.171 -11.891 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -10.086 2.904 -10.486 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.064 4.919 -9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -8.072 5.191 -10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.138 5.427 -12.199 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.135 5.145 -10.785 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.111 7.159 -9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -9.134 7.444 -11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -11.153 8.782 -11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.172 7.666 -12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.118 7.390 -11.034 1.00 0.00 H new ATOM 778 N HIS A 110 -7.872 0.555 -11.508 1.00 0.00 N ATOM 779 CA HIS A 110 -8.048 -0.897 -11.794 1.00 0.00 C ATOM 780 C HIS A 110 -7.170 -1.715 -10.851 1.00 0.00 C ATOM 781 O HIS A 110 -7.617 -2.662 -10.234 1.00 0.00 O ATOM 782 CB HIS A 110 -7.630 -1.176 -13.241 1.00 0.00 C ATOM 783 CG HIS A 110 -7.809 -2.636 -13.544 1.00 0.00 C ATOM 784 ND1 HIS A 110 -6.861 -3.584 -13.194 1.00 0.00 N ATOM 785 CD2 HIS A 110 -8.821 -3.327 -14.159 1.00 0.00 C ATOM 786 CE1 HIS A 110 -7.319 -4.784 -13.595 1.00 0.00 C ATOM 787 NE2 HIS A 110 -8.511 -4.685 -14.191 1.00 0.00 N ATOM 0 H HIS A 110 -7.495 1.104 -12.281 1.00 0.00 H new ATOM 0 HA HIS A 110 -9.092 -1.174 -11.648 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -8.229 -0.576 -13.926 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.590 -0.888 -13.392 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.722 -2.885 -14.558 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -6.788 -5.714 -13.453 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -9.072 -5.440 -14.584 1.00 0.00 H new ATOM 795 N ASP A 111 -5.925 -1.350 -10.740 1.00 0.00 N ATOM 796 CA ASP A 111 -4.996 -2.095 -9.840 1.00 0.00 C ATOM 797 C ASP A 111 -5.431 -1.877 -8.390 1.00 0.00 C ATOM 798 O ASP A 111 -5.372 -2.771 -7.568 1.00 0.00 O ATOM 799 CB ASP A 111 -3.569 -1.555 -10.031 1.00 0.00 C ATOM 800 CG ASP A 111 -2.911 -2.220 -11.247 1.00 0.00 C ATOM 801 OD1 ASP A 111 -3.529 -3.097 -11.829 1.00 0.00 O ATOM 802 OD2 ASP A 111 -1.795 -1.850 -11.568 1.00 0.00 O ATOM 0 H ASP A 111 -5.506 -0.563 -11.236 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.019 -3.159 -10.077 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.596 -0.474 -10.169 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.976 -1.748 -9.137 1.00 0.00 H new ATOM 807 N TYR A 112 -5.857 -0.685 -8.078 1.00 0.00 N ATOM 808 CA TYR A 112 -6.298 -0.373 -6.688 1.00 0.00 C ATOM 809 C TYR A 112 -7.498 -1.245 -6.328 1.00 0.00 C ATOM 810 O TYR A 112 -7.558 -1.830 -5.263 1.00 0.00 O ATOM 811 CB TYR A 112 -6.697 1.105 -6.607 1.00 0.00 C ATOM 812 CG TYR A 112 -7.299 1.397 -5.253 1.00 0.00 C ATOM 813 CD1 TYR A 112 -6.481 1.430 -4.120 1.00 0.00 C ATOM 814 CD2 TYR A 112 -8.677 1.625 -5.131 1.00 0.00 C ATOM 815 CE1 TYR A 112 -7.039 1.693 -2.863 1.00 0.00 C ATOM 816 CE2 TYR A 112 -9.233 1.887 -3.874 1.00 0.00 C ATOM 817 CZ TYR A 112 -8.413 1.922 -2.740 1.00 0.00 C ATOM 818 OH TYR A 112 -8.962 2.179 -1.502 1.00 0.00 O ATOM 0 H TYR A 112 -5.919 0.095 -8.733 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.484 -0.572 -5.991 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.824 1.737 -6.771 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.414 1.342 -7.393 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -5.420 1.253 -4.214 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -9.309 1.598 -6.007 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -6.407 1.719 -1.987 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -10.294 2.062 -3.779 1.00 0.00 H new ATOM 0 HH TYR A 112 -9.928 2.316 -1.595 1.00 0.00 H new ATOM 828 N GLN A 113 -8.455 -1.325 -7.207 1.00 0.00 N ATOM 829 CA GLN A 113 -9.666 -2.148 -6.931 1.00 0.00 C ATOM 830 C GLN A 113 -9.271 -3.619 -6.811 1.00 0.00 C ATOM 831 O GLN A 113 -9.763 -4.342 -5.965 1.00 0.00 O ATOM 832 CB GLN A 113 -10.666 -1.982 -8.092 1.00 0.00 C ATOM 833 CG GLN A 113 -12.092 -2.214 -7.585 1.00 0.00 C ATOM 834 CD GLN A 113 -12.164 -3.556 -6.851 1.00 0.00 C ATOM 835 OE1 GLN A 113 -11.772 -4.577 -7.383 1.00 0.00 O ATOM 836 NE2 GLN A 113 -12.643 -3.596 -5.639 1.00 0.00 N ATOM 0 H GLN A 113 -8.452 -0.853 -8.111 1.00 0.00 H new ATOM 0 HA GLN A 113 -10.124 -1.820 -5.998 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -10.580 -0.983 -8.518 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -10.434 -2.689 -8.888 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.387 -1.406 -6.916 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.792 -2.207 -8.421 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -12.972 -2.740 -5.192 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.689 -4.483 -5.138 1.00 0.00 H new ATOM 845 N ARG A 114 -8.390 -4.062 -7.663 1.00 0.00 N ATOM 846 CA ARG A 114 -7.948 -5.486 -7.627 1.00 0.00 C ATOM 847 C ARG A 114 -7.171 -5.753 -6.341 1.00 0.00 C ATOM 848 O ARG A 114 -7.335 -6.774 -5.702 1.00 0.00 O ATOM 849 CB ARG A 114 -7.040 -5.759 -8.832 1.00 0.00 C ATOM 850 CG ARG A 114 -6.627 -7.231 -8.844 1.00 0.00 C ATOM 851 CD ARG A 114 -5.760 -7.509 -10.071 1.00 0.00 C ATOM 852 NE ARG A 114 -5.433 -8.968 -10.131 1.00 0.00 N ATOM 853 CZ ARG A 114 -6.232 -9.809 -10.735 1.00 0.00 C ATOM 854 NH1 ARG A 114 -7.351 -9.399 -11.272 1.00 0.00 N ATOM 855 NH2 ARG A 114 -5.908 -11.071 -10.797 1.00 0.00 N ATOM 0 H ARG A 114 -7.953 -3.495 -8.389 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.821 -6.138 -7.662 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.562 -5.510 -9.756 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -6.156 -5.124 -8.784 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -6.076 -7.472 -7.935 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -7.512 -7.867 -8.859 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -6.285 -7.206 -10.977 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -4.843 -6.922 -10.022 1.00 0.00 H new ATOM 0 HE ARG A 114 -4.577 -9.311 -9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -7.609 -8.413 -11.223 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -7.966 -10.065 -11.740 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -5.037 -11.395 -10.376 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -6.525 -11.734 -11.266 1.00 0.00 H new ATOM 869 N PHE A 115 -6.316 -4.843 -5.970 1.00 0.00 N ATOM 870 CA PHE A 115 -5.502 -5.022 -4.735 1.00 0.00 C ATOM 871 C PHE A 115 -6.416 -5.108 -3.515 1.00 0.00 C ATOM 872 O PHE A 115 -6.243 -5.951 -2.661 1.00 0.00 O ATOM 873 CB PHE A 115 -4.557 -3.825 -4.583 1.00 0.00 C ATOM 874 CG PHE A 115 -3.718 -3.997 -3.339 1.00 0.00 C ATOM 875 CD1 PHE A 115 -2.716 -4.972 -3.304 1.00 0.00 C ATOM 876 CD2 PHE A 115 -3.943 -3.183 -2.220 1.00 0.00 C ATOM 877 CE1 PHE A 115 -1.937 -5.135 -2.151 1.00 0.00 C ATOM 878 CE2 PHE A 115 -3.164 -3.346 -1.069 1.00 0.00 C ATOM 879 CZ PHE A 115 -2.161 -4.322 -1.034 1.00 0.00 C ATOM 0 H PHE A 115 -6.144 -3.973 -6.475 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.925 -5.944 -4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.914 -3.743 -5.459 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -5.131 -2.901 -4.522 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.543 -5.599 -4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.717 -2.430 -2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.163 -5.888 -2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.337 -2.718 -0.207 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.560 -4.448 -0.145 1.00 0.00 H new ATOM 889 N VAL A 116 -7.379 -4.230 -3.428 1.00 0.00 N ATOM 890 CA VAL A 116 -8.312 -4.230 -2.262 1.00 0.00 C ATOM 891 C VAL A 116 -9.090 -5.550 -2.210 1.00 0.00 C ATOM 892 O VAL A 116 -9.237 -6.155 -1.166 1.00 0.00 O ATOM 893 CB VAL A 116 -9.298 -3.062 -2.409 1.00 0.00 C ATOM 894 CG1 VAL A 116 -10.391 -3.165 -1.341 1.00 0.00 C ATOM 895 CG2 VAL A 116 -8.545 -1.740 -2.237 1.00 0.00 C ATOM 0 H VAL A 116 -7.562 -3.505 -4.122 1.00 0.00 H new ATOM 0 HA VAL A 116 -7.739 -4.120 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.757 -3.101 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -11.087 -2.333 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -10.928 -4.106 -1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.937 -3.129 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -9.242 -0.908 -2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -8.087 -1.708 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -7.770 -1.661 -2.999 1.00 0.00 H new ATOM 905 N ASP A 117 -9.600 -5.987 -3.326 1.00 0.00 N ATOM 906 CA ASP A 117 -10.382 -7.259 -3.358 1.00 0.00 C ATOM 907 C ASP A 117 -9.462 -8.449 -3.069 1.00 0.00 C ATOM 908 O ASP A 117 -9.859 -9.419 -2.452 1.00 0.00 O ATOM 909 CB ASP A 117 -11.012 -7.430 -4.745 1.00 0.00 C ATOM 910 CG ASP A 117 -11.853 -8.707 -4.776 1.00 0.00 C ATOM 911 OD1 ASP A 117 -11.815 -9.443 -3.803 1.00 0.00 O ATOM 912 OD2 ASP A 117 -12.523 -8.931 -5.772 1.00 0.00 O ATOM 0 H ASP A 117 -9.509 -5.516 -4.226 1.00 0.00 H new ATOM 0 HA ASP A 117 -11.162 -7.219 -2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -11.635 -6.567 -4.981 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -10.233 -7.478 -5.506 1.00 0.00 H new ATOM 917 N ASP A 118 -8.245 -8.388 -3.533 1.00 0.00 N ATOM 918 CA ASP A 118 -7.292 -9.518 -3.317 1.00 0.00 C ATOM 919 C ASP A 118 -6.998 -9.690 -1.825 1.00 0.00 C ATOM 920 O ASP A 118 -6.990 -10.792 -1.310 1.00 0.00 O ATOM 921 CB ASP A 118 -5.984 -9.218 -4.060 1.00 0.00 C ATOM 922 CG ASP A 118 -5.002 -10.379 -3.887 1.00 0.00 C ATOM 923 OD1 ASP A 118 -5.290 -11.262 -3.097 1.00 0.00 O ATOM 924 OD2 ASP A 118 -3.975 -10.363 -4.546 1.00 0.00 O ATOM 0 H ASP A 118 -7.865 -7.599 -4.056 1.00 0.00 H new ATOM 0 HA ASP A 118 -7.738 -10.438 -3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -6.187 -9.058 -5.119 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -5.542 -8.298 -3.677 1.00 0.00 H new ATOM 929 N ILE A 119 -6.744 -8.613 -1.132 1.00 0.00 N ATOM 930 CA ILE A 119 -6.434 -8.713 0.326 1.00 0.00 C ATOM 931 C ILE A 119 -7.707 -9.023 1.112 1.00 0.00 C ATOM 932 O ILE A 119 -7.663 -9.592 2.184 1.00 0.00 O ATOM 933 CB ILE A 119 -5.831 -7.386 0.816 1.00 0.00 C ATOM 934 CG1 ILE A 119 -6.819 -6.231 0.582 1.00 0.00 C ATOM 935 CG2 ILE A 119 -4.534 -7.107 0.050 1.00 0.00 C ATOM 936 CD1 ILE A 119 -6.261 -4.943 1.196 1.00 0.00 C ATOM 0 H ILE A 119 -6.737 -7.666 -1.512 1.00 0.00 H new ATOM 0 HA ILE A 119 -5.716 -9.518 0.484 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.624 -7.463 1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.986 -6.093 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.785 -6.469 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -4.103 -6.167 0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -3.826 -7.917 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -4.749 -7.039 -1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -6.963 -4.126 1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.116 -5.083 2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -5.306 -4.702 0.730 1.00 0.00 H new ATOM 948 N SER A 120 -8.839 -8.643 0.588 1.00 0.00 N ATOM 949 CA SER A 120 -10.122 -8.903 1.301 1.00 0.00 C ATOM 950 C SER A 120 -10.320 -10.410 1.445 1.00 0.00 C ATOM 951 O SER A 120 -10.865 -10.886 2.422 1.00 0.00 O ATOM 952 CB SER A 120 -11.284 -8.315 0.495 1.00 0.00 C ATOM 953 OG SER A 120 -11.468 -9.071 -0.696 1.00 0.00 O ATOM 0 H SER A 120 -8.932 -8.162 -0.307 1.00 0.00 H new ATOM 0 HA SER A 120 -10.092 -8.439 2.287 1.00 0.00 H new ATOM 0 HB2 SER A 120 -12.197 -8.328 1.091 1.00 0.00 H new ATOM 0 HB3 SER A 120 -11.079 -7.273 0.249 1.00 0.00 H new ATOM 0 HG SER A 120 -10.605 -9.190 -1.145 1.00 0.00 H new ATOM 959 N ALA A 121 -9.879 -11.160 0.474 1.00 0.00 N ATOM 960 CA ALA A 121 -10.032 -12.641 0.532 1.00 0.00 C ATOM 961 C ALA A 121 -8.910 -13.233 1.384 1.00 0.00 C ATOM 962 O ALA A 121 -8.926 -14.397 1.722 1.00 0.00 O ATOM 963 CB ALA A 121 -9.943 -13.215 -0.886 1.00 0.00 C ATOM 0 H ALA A 121 -9.416 -10.808 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 121 -10.998 -12.891 0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -10.055 -14.299 -0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -10.736 -12.790 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.975 -12.965 -1.320 1.00 0.00 H new ATOM 969 N GLN A 122 -7.940 -12.430 1.735 1.00 0.00 N ATOM 970 CA GLN A 122 -6.799 -12.921 2.573 1.00 0.00 C ATOM 971 C GLN A 122 -6.861 -12.257 3.947 1.00 0.00 C ATOM 972 O GLN A 122 -6.259 -12.720 4.892 1.00 0.00 O ATOM 973 CB GLN A 122 -5.477 -12.553 1.900 1.00 0.00 C ATOM 974 CG GLN A 122 -5.306 -13.383 0.627 1.00 0.00 C ATOM 975 CD GLN A 122 -4.010 -12.983 -0.080 1.00 0.00 C ATOM 976 OE1 GLN A 122 -3.852 -11.850 -0.489 1.00 0.00 O ATOM 977 NE2 GLN A 122 -3.068 -13.871 -0.240 1.00 0.00 N ATOM 0 H GLN A 122 -7.887 -11.445 1.476 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.867 -14.004 2.681 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.463 -11.490 1.659 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.646 -12.737 2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.284 -14.444 0.874 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.156 -13.228 -0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -3.200 -14.822 0.103 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.199 -13.614 -0.708 1.00 0.00 H new ATOM 986 N TYR A 123 -7.579 -11.167 4.058 1.00 0.00 N ATOM 987 CA TYR A 123 -7.681 -10.449 5.372 1.00 0.00 C ATOM 988 C TYR A 123 -9.138 -10.107 5.674 1.00 0.00 C ATOM 989 O TYR A 123 -9.974 -10.030 4.795 1.00 0.00 O ATOM 990 CB TYR A 123 -6.859 -9.162 5.313 1.00 0.00 C ATOM 991 CG TYR A 123 -5.394 -9.506 5.193 1.00 0.00 C ATOM 992 CD1 TYR A 123 -4.815 -9.683 3.932 1.00 0.00 C ATOM 993 CD2 TYR A 123 -4.614 -9.650 6.348 1.00 0.00 C ATOM 994 CE1 TYR A 123 -3.456 -10.003 3.825 1.00 0.00 C ATOM 995 CE2 TYR A 123 -3.255 -9.969 6.241 1.00 0.00 C ATOM 996 CZ TYR A 123 -2.676 -10.146 4.979 1.00 0.00 C ATOM 997 OH TYR A 123 -1.337 -10.462 4.873 1.00 0.00 O ATOM 0 H TYR A 123 -8.102 -10.740 3.294 1.00 0.00 H new ATOM 0 HA TYR A 123 -7.297 -11.096 6.161 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -7.172 -8.556 4.463 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -7.031 -8.566 6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -5.416 -9.573 3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -5.061 -9.515 7.322 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -3.009 -10.140 2.851 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -2.654 -10.078 7.132 1.00 0.00 H new ATOM 0 HH TYR A 123 -0.943 -10.522 5.768 1.00 0.00 H new ATOM 1007 N SER A 124 -9.438 -9.909 6.925 1.00 0.00 N ATOM 1008 CA SER A 124 -10.833 -9.582 7.340 1.00 0.00 C ATOM 1009 C SER A 124 -11.182 -8.150 6.943 1.00 0.00 C ATOM 1010 O SER A 124 -10.336 -7.360 6.583 1.00 0.00 O ATOM 1011 CB SER A 124 -10.962 -9.736 8.859 1.00 0.00 C ATOM 1012 OG SER A 124 -11.050 -11.117 9.181 1.00 0.00 O ATOM 0 H SER A 124 -8.767 -9.960 7.691 1.00 0.00 H new ATOM 0 HA SER A 124 -11.520 -10.265 6.840 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.102 -9.288 9.357 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.847 -9.210 9.216 1.00 0.00 H new ATOM 0 HG SER A 124 -11.131 -11.222 10.152 1.00 0.00 H new ATOM 1018 N LYS A 125 -12.439 -7.825 7.012 1.00 0.00 N ATOM 1019 CA LYS A 125 -12.900 -6.460 6.639 1.00 0.00 C ATOM 1020 C LYS A 125 -12.250 -5.435 7.563 1.00 0.00 C ATOM 1021 O LYS A 125 -11.855 -4.365 7.139 1.00 0.00 O ATOM 1022 CB LYS A 125 -14.424 -6.384 6.805 1.00 0.00 C ATOM 1023 CG LYS A 125 -15.102 -7.420 5.900 1.00 0.00 C ATOM 1024 CD LYS A 125 -14.879 -7.057 4.424 1.00 0.00 C ATOM 1025 CE LYS A 125 -15.914 -7.766 3.551 1.00 0.00 C ATOM 1026 NZ LYS A 125 -17.198 -7.015 3.603 1.00 0.00 N ATOM 0 H LYS A 125 -13.180 -8.457 7.316 1.00 0.00 H new ATOM 0 HA LYS A 125 -12.625 -6.250 5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -14.694 -6.565 7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -14.776 -5.383 6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -14.699 -8.412 6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -16.170 -7.460 6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -14.956 -5.978 4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -13.873 -7.345 4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -15.558 -7.829 2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -16.063 -8.788 3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -17.993 -7.679 3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -17.270 -6.513 4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -17.229 -6.327 2.824 1.00 0.00 H new ATOM 1040 N ASN A 126 -12.146 -5.757 8.820 1.00 0.00 N ATOM 1041 CA ASN A 126 -11.533 -4.813 9.799 1.00 0.00 C ATOM 1042 C ASN A 126 -10.081 -4.538 9.413 1.00 0.00 C ATOM 1043 O ASN A 126 -9.616 -3.416 9.459 1.00 0.00 O ATOM 1044 CB ASN A 126 -11.569 -5.454 11.191 1.00 0.00 C ATOM 1045 CG ASN A 126 -10.896 -4.527 12.203 1.00 0.00 C ATOM 1046 OD1 ASN A 126 -10.373 -3.491 11.841 1.00 0.00 O ATOM 1047 ND2 ASN A 126 -10.879 -4.858 13.466 1.00 0.00 N ATOM 0 H ASN A 126 -12.462 -6.642 9.217 1.00 0.00 H new ATOM 0 HA ASN A 126 -12.089 -3.875 9.800 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -12.600 -5.644 11.488 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -11.060 -6.418 11.171 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -10.427 -4.248 14.147 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -11.317 -5.727 13.771 1.00 0.00 H new ATOM 1054 N TYR A 127 -9.363 -5.556 9.030 1.00 0.00 N ATOM 1055 CA TYR A 127 -7.936 -5.373 8.631 1.00 0.00 C ATOM 1056 C TYR A 127 -7.869 -4.634 7.296 1.00 0.00 C ATOM 1057 O TYR A 127 -6.963 -3.865 7.043 1.00 0.00 O ATOM 1058 CB TYR A 127 -7.273 -6.749 8.489 1.00 0.00 C ATOM 1059 CG TYR A 127 -6.936 -7.295 9.858 1.00 0.00 C ATOM 1060 CD1 TYR A 127 -7.961 -7.672 10.734 1.00 0.00 C ATOM 1061 CD2 TYR A 127 -5.599 -7.411 10.258 1.00 0.00 C ATOM 1062 CE1 TYR A 127 -7.650 -8.172 12.002 1.00 0.00 C ATOM 1063 CE2 TYR A 127 -5.287 -7.911 11.526 1.00 0.00 C ATOM 1064 CZ TYR A 127 -6.314 -8.290 12.400 1.00 0.00 C ATOM 1065 OH TYR A 127 -6.005 -8.783 13.650 1.00 0.00 O ATOM 0 H TYR A 127 -9.705 -6.516 8.975 1.00 0.00 H new ATOM 0 HA TYR A 127 -7.415 -4.791 9.391 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -7.942 -7.434 7.968 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -6.368 -6.667 7.886 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -8.993 -7.576 10.430 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.808 -7.114 9.586 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -8.442 -8.467 12.675 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -4.255 -8.005 11.831 1.00 0.00 H new ATOM 0 HH TYR A 127 -5.032 -8.799 13.764 1.00 0.00 H new ATOM 1075 N VAL A 128 -8.820 -4.878 6.439 1.00 0.00 N ATOM 1076 CA VAL A 128 -8.831 -4.213 5.105 1.00 0.00 C ATOM 1077 C VAL A 128 -8.949 -2.698 5.279 1.00 0.00 C ATOM 1078 O VAL A 128 -8.265 -1.934 4.627 1.00 0.00 O ATOM 1079 CB VAL A 128 -10.034 -4.734 4.300 1.00 0.00 C ATOM 1080 CG1 VAL A 128 -10.254 -3.855 3.061 1.00 0.00 C ATOM 1081 CG2 VAL A 128 -9.768 -6.182 3.857 1.00 0.00 C ATOM 0 H VAL A 128 -9.598 -5.516 6.607 1.00 0.00 H new ATOM 0 HA VAL A 128 -7.904 -4.437 4.577 1.00 0.00 H new ATOM 0 HB VAL A 128 -10.925 -4.701 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.107 -4.230 2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.448 -2.829 3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -9.363 -3.881 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.621 -6.550 3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -8.874 -6.214 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.620 -6.810 4.736 1.00 0.00 H new ATOM 1091 N ASP A 129 -9.821 -2.263 6.146 1.00 0.00 N ATOM 1092 CA ASP A 129 -10.011 -0.798 6.359 1.00 0.00 C ATOM 1093 C ASP A 129 -8.667 -0.143 6.680 1.00 0.00 C ATOM 1094 O ASP A 129 -8.325 0.891 6.139 1.00 0.00 O ATOM 1095 CB ASP A 129 -10.967 -0.578 7.539 1.00 0.00 C ATOM 1096 CG ASP A 129 -12.394 -0.953 7.133 1.00 0.00 C ATOM 1097 OD1 ASP A 129 -12.633 -1.098 5.945 1.00 0.00 O ATOM 1098 OD2 ASP A 129 -13.225 -1.087 8.017 1.00 0.00 O ATOM 0 H ASP A 129 -10.414 -2.862 6.720 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.426 -0.354 5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.652 -1.181 8.390 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.932 0.464 7.856 1.00 0.00 H new ATOM 1103 N SER A 130 -7.905 -0.735 7.558 1.00 0.00 N ATOM 1104 CA SER A 130 -6.579 -0.153 7.926 1.00 0.00 C ATOM 1105 C SER A 130 -5.648 -0.180 6.713 1.00 0.00 C ATOM 1106 O SER A 130 -4.919 0.758 6.454 1.00 0.00 O ATOM 1107 CB SER A 130 -5.962 -0.983 9.055 1.00 0.00 C ATOM 1108 OG SER A 130 -5.843 -2.340 8.635 1.00 0.00 O ATOM 0 H SER A 130 -8.143 -1.602 8.040 1.00 0.00 H new ATOM 0 HA SER A 130 -6.714 0.878 8.254 1.00 0.00 H new ATOM 0 HB2 SER A 130 -4.982 -0.586 9.320 1.00 0.00 H new ATOM 0 HB3 SER A 130 -6.583 -0.921 9.948 1.00 0.00 H new ATOM 0 HG SER A 130 -6.589 -2.565 8.040 1.00 0.00 H new ATOM 1114 N ILE A 131 -5.671 -1.251 5.974 1.00 0.00 N ATOM 1115 CA ILE A 131 -4.797 -1.371 4.771 1.00 0.00 C ATOM 1116 C ILE A 131 -5.219 -0.335 3.728 1.00 0.00 C ATOM 1117 O ILE A 131 -4.397 0.294 3.089 1.00 0.00 O ATOM 1118 CB ILE A 131 -4.929 -2.780 4.182 1.00 0.00 C ATOM 1119 CG1 ILE A 131 -4.330 -3.794 5.161 1.00 0.00 C ATOM 1120 CG2 ILE A 131 -4.180 -2.854 2.847 1.00 0.00 C ATOM 1121 CD1 ILE A 131 -4.654 -5.219 4.701 1.00 0.00 C ATOM 0 H ILE A 131 -6.265 -2.060 6.153 1.00 0.00 H new ATOM 0 HA ILE A 131 -3.760 -1.194 5.055 1.00 0.00 H new ATOM 0 HB ILE A 131 -5.982 -3.008 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -3.250 -3.659 5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.729 -3.626 6.161 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -4.276 -3.857 2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -4.605 -2.130 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -3.126 -2.627 3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -4.225 -5.934 5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.735 -5.352 4.663 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.233 -5.386 3.709 1.00 0.00 H new ATOM 1133 N VAL A 132 -6.499 -0.172 3.541 1.00 0.00 N ATOM 1134 CA VAL A 132 -7.005 0.803 2.530 1.00 0.00 C ATOM 1135 C VAL A 132 -6.497 2.207 2.867 1.00 0.00 C ATOM 1136 O VAL A 132 -6.087 2.954 2.002 1.00 0.00 O ATOM 1137 CB VAL A 132 -8.542 0.796 2.547 1.00 0.00 C ATOM 1138 CG1 VAL A 132 -9.073 1.967 1.712 1.00 0.00 C ATOM 1139 CG2 VAL A 132 -9.051 -0.522 1.956 1.00 0.00 C ATOM 0 H VAL A 132 -7.225 -0.677 4.050 1.00 0.00 H new ATOM 0 HA VAL A 132 -6.646 0.520 1.540 1.00 0.00 H new ATOM 0 HB VAL A 132 -8.892 0.897 3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -10.163 1.959 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -8.711 2.906 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -8.723 1.869 0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -10.141 -0.529 1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -8.698 -0.621 0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -8.677 -1.356 2.550 1.00 0.00 H new ATOM 1149 N ALA A 133 -6.539 2.575 4.112 1.00 0.00 N ATOM 1150 CA ALA A 133 -6.065 3.932 4.509 1.00 0.00 C ATOM 1151 C ALA A 133 -4.545 4.015 4.340 1.00 0.00 C ATOM 1152 O ALA A 133 -4.007 5.042 3.978 1.00 0.00 O ATOM 1153 CB ALA A 133 -6.431 4.192 5.973 1.00 0.00 C ATOM 0 H ALA A 133 -6.882 1.995 4.878 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.541 4.681 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -6.085 5.184 6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -7.513 4.136 6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -5.956 3.442 6.605 1.00 0.00 H new ATOM 1159 N SER A 134 -3.852 2.946 4.621 1.00 0.00 N ATOM 1160 CA SER A 134 -2.362 2.957 4.497 1.00 0.00 C ATOM 1161 C SER A 134 -1.949 2.989 3.023 1.00 0.00 C ATOM 1162 O SER A 134 -1.186 3.837 2.600 1.00 0.00 O ATOM 1163 CB SER A 134 -1.793 1.693 5.145 1.00 0.00 C ATOM 1164 OG SER A 134 -1.921 1.793 6.557 1.00 0.00 O ATOM 0 H SER A 134 -4.253 2.061 4.932 1.00 0.00 H new ATOM 0 HA SER A 134 -1.974 3.845 4.996 1.00 0.00 H new ATOM 0 HB2 SER A 134 -2.324 0.813 4.781 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.745 1.569 4.871 1.00 0.00 H new ATOM 0 HG SER A 134 -1.425 2.576 6.876 1.00 0.00 H new ATOM 1170 N THR A 135 -2.446 2.068 2.242 1.00 0.00 N ATOM 1171 CA THR A 135 -2.084 2.025 0.794 1.00 0.00 C ATOM 1172 C THR A 135 -2.504 3.331 0.118 1.00 0.00 C ATOM 1173 O THR A 135 -1.816 3.856 -0.734 1.00 0.00 O ATOM 1174 CB THR A 135 -2.793 0.834 0.121 1.00 0.00 C ATOM 1175 OG1 THR A 135 -2.113 0.504 -1.079 1.00 0.00 O ATOM 1176 CG2 THR A 135 -4.249 1.189 -0.197 1.00 0.00 C ATOM 0 H THR A 135 -3.091 1.339 2.546 1.00 0.00 H new ATOM 0 HA THR A 135 -1.005 1.904 0.694 1.00 0.00 H new ATOM 0 HB THR A 135 -2.781 -0.017 0.801 1.00 0.00 H new ATOM 0 HG1 THR A 135 -1.815 1.325 -1.523 1.00 0.00 H new ATOM 0 HG21 THR A 135 -4.736 0.337 -0.672 1.00 0.00 H new ATOM 0 HG22 THR A 135 -4.773 1.438 0.726 1.00 0.00 H new ATOM 0 HG23 THR A 135 -4.276 2.045 -0.872 1.00 0.00 H new ATOM 1184 N ASN A 136 -3.642 3.840 0.495 1.00 0.00 N ATOM 1185 CA ASN A 136 -4.154 5.101 -0.109 1.00 0.00 C ATOM 1186 C ASN A 136 -3.180 6.242 0.189 1.00 0.00 C ATOM 1187 O ASN A 136 -2.922 7.086 -0.645 1.00 0.00 O ATOM 1188 CB ASN A 136 -5.525 5.430 0.498 1.00 0.00 C ATOM 1189 CG ASN A 136 -6.602 4.538 -0.122 1.00 0.00 C ATOM 1190 OD1 ASN A 136 -6.390 3.935 -1.156 1.00 0.00 O ATOM 1191 ND2 ASN A 136 -7.760 4.429 0.471 1.00 0.00 N ATOM 0 H ASN A 136 -4.248 3.430 1.206 1.00 0.00 H new ATOM 0 HA ASN A 136 -4.249 4.978 -1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -5.498 5.284 1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -5.766 6.479 0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -8.486 3.838 0.067 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -7.938 4.935 1.339 1.00 0.00 H new ATOM 1198 N MET A 137 -2.644 6.272 1.377 1.00 0.00 N ATOM 1199 CA MET A 137 -1.686 7.356 1.753 1.00 0.00 C ATOM 1200 C MET A 137 -0.442 7.279 0.870 1.00 0.00 C ATOM 1201 O MET A 137 0.105 8.288 0.467 1.00 0.00 O ATOM 1202 CB MET A 137 -1.279 7.178 3.225 1.00 0.00 C ATOM 1203 CG MET A 137 -2.377 7.724 4.140 1.00 0.00 C ATOM 1204 SD MET A 137 -2.449 9.528 3.982 1.00 0.00 S ATOM 1205 CE MET A 137 -0.846 9.899 4.744 1.00 0.00 C ATOM 0 H MET A 137 -2.828 5.588 2.111 1.00 0.00 H new ATOM 0 HA MET A 137 -2.163 8.326 1.614 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.107 6.123 3.439 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.341 7.699 3.417 1.00 0.00 H new ATOM 0 HG2 MET A 137 -3.339 7.286 3.874 1.00 0.00 H new ATOM 0 HG3 MET A 137 -2.175 7.446 5.175 1.00 0.00 H new ATOM 0 HE1 MET A 137 -0.962 10.716 5.456 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.476 9.015 5.263 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.134 10.190 3.971 1.00 0.00 H new ATOM 1215 N ILE A 138 0.016 6.094 0.580 1.00 0.00 N ATOM 1216 CA ILE A 138 1.235 5.945 -0.269 1.00 0.00 C ATOM 1217 C ILE A 138 0.970 6.526 -1.661 1.00 0.00 C ATOM 1218 O ILE A 138 1.787 7.241 -2.212 1.00 0.00 O ATOM 1219 CB ILE A 138 1.585 4.454 -0.387 1.00 0.00 C ATOM 1220 CG1 ILE A 138 2.082 3.940 0.971 1.00 0.00 C ATOM 1221 CG2 ILE A 138 2.676 4.256 -1.443 1.00 0.00 C ATOM 1222 CD1 ILE A 138 2.221 2.414 0.938 1.00 0.00 C ATOM 0 H ILE A 138 -0.401 5.218 0.894 1.00 0.00 H new ATOM 0 HA ILE A 138 2.067 6.482 0.187 1.00 0.00 H new ATOM 0 HB ILE A 138 0.697 3.898 -0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 138 3.043 4.395 1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 138 1.385 4.233 1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 138 2.919 3.196 -1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.319 4.618 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 138 3.568 4.812 -1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 138 2.574 2.060 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.252 1.965 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 138 2.936 2.130 0.165 1.00 0.00 H new ATOM 1234 N PHE A 139 -0.163 6.224 -2.231 1.00 0.00 N ATOM 1235 CA PHE A 139 -0.490 6.756 -3.586 1.00 0.00 C ATOM 1236 C PHE A 139 -0.713 8.268 -3.496 1.00 0.00 C ATOM 1237 O PHE A 139 -0.350 9.014 -4.384 1.00 0.00 O ATOM 1238 CB PHE A 139 -1.766 6.079 -4.107 1.00 0.00 C ATOM 1239 CG PHE A 139 -1.515 4.598 -4.302 1.00 0.00 C ATOM 1240 CD1 PHE A 139 -0.590 4.166 -5.261 1.00 0.00 C ATOM 1241 CD2 PHE A 139 -2.209 3.657 -3.531 1.00 0.00 C ATOM 1242 CE1 PHE A 139 -0.358 2.797 -5.445 1.00 0.00 C ATOM 1243 CE2 PHE A 139 -1.976 2.289 -3.715 1.00 0.00 C ATOM 1244 CZ PHE A 139 -1.053 1.860 -4.671 1.00 0.00 C ATOM 0 H PHE A 139 -0.880 5.629 -1.816 1.00 0.00 H new ATOM 0 HA PHE A 139 0.334 6.549 -4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -2.583 6.229 -3.401 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -2.071 6.533 -5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -0.055 4.889 -5.859 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -2.925 3.987 -2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 139 0.357 2.464 -6.183 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -2.510 1.565 -3.117 1.00 0.00 H new ATOM 0 HZ PHE A 139 -0.875 0.804 -4.813 1.00 0.00 H new ATOM 1254 N LYS A 140 -1.320 8.719 -2.431 1.00 0.00 N ATOM 1255 CA LYS A 140 -1.587 10.177 -2.276 1.00 0.00 C ATOM 1256 C LYS A 140 -0.248 10.928 -2.212 1.00 0.00 C ATOM 1257 O LYS A 140 -0.067 11.966 -2.815 1.00 0.00 O ATOM 1258 CB LYS A 140 -2.368 10.414 -0.965 1.00 0.00 C ATOM 1259 CG LYS A 140 -3.246 11.661 -1.102 1.00 0.00 C ATOM 1260 CD LYS A 140 -2.373 12.876 -1.433 1.00 0.00 C ATOM 1261 CE LYS A 140 -3.129 14.162 -1.104 1.00 0.00 C ATOM 1262 NZ LYS A 140 -4.333 14.265 -1.974 1.00 0.00 N ATOM 0 H LYS A 140 -1.644 8.137 -1.659 1.00 0.00 H new ATOM 0 HA LYS A 140 -2.173 10.538 -3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -2.987 9.546 -0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -1.673 10.537 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -3.988 11.510 -1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -3.793 11.836 -0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -1.444 12.834 -0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -2.101 12.863 -2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -3.424 14.165 -0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -2.482 15.026 -1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -4.754 15.211 -1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -4.059 14.111 -2.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -5.028 13.545 -1.691 1.00 0.00 H new ATOM 1276 N TYR A 141 0.687 10.399 -1.480 1.00 0.00 N ATOM 1277 CA TYR A 141 2.013 11.065 -1.355 1.00 0.00 C ATOM 1278 C TYR A 141 2.645 11.201 -2.740 1.00 0.00 C ATOM 1279 O TYR A 141 3.155 12.244 -3.099 1.00 0.00 O ATOM 1280 CB TYR A 141 2.923 10.209 -0.465 1.00 0.00 C ATOM 1281 CG TYR A 141 4.303 10.820 -0.423 1.00 0.00 C ATOM 1282 CD1 TYR A 141 4.552 11.924 0.398 1.00 0.00 C ATOM 1283 CD2 TYR A 141 5.332 10.283 -1.208 1.00 0.00 C ATOM 1284 CE1 TYR A 141 5.830 12.495 0.436 1.00 0.00 C ATOM 1285 CE2 TYR A 141 6.610 10.855 -1.170 1.00 0.00 C ATOM 1286 CZ TYR A 141 6.859 11.959 -0.348 1.00 0.00 C ATOM 1287 OH TYR A 141 8.118 12.523 -0.312 1.00 0.00 O ATOM 0 H TYR A 141 0.591 9.528 -0.958 1.00 0.00 H new ATOM 0 HA TYR A 141 1.888 12.053 -0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 141 2.510 10.146 0.542 1.00 0.00 H new ATOM 0 HB3 TYR A 141 2.976 9.191 -0.852 1.00 0.00 H new ATOM 0 HD1 TYR A 141 3.758 12.337 1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 141 5.140 9.429 -1.841 1.00 0.00 H new ATOM 0 HE1 TYR A 141 6.022 13.348 1.070 1.00 0.00 H new ATOM 0 HE2 TYR A 141 7.404 10.443 -1.776 1.00 0.00 H new ATOM 0 HH TYR A 141 8.714 12.030 -0.914 1.00 0.00 H new ATOM 1297 N ALA A 142 2.614 10.152 -3.514 1.00 0.00 N ATOM 1298 CA ALA A 142 3.213 10.204 -4.882 1.00 0.00 C ATOM 1299 C ALA A 142 2.479 11.252 -5.728 1.00 0.00 C ATOM 1300 O ALA A 142 3.083 12.076 -6.386 1.00 0.00 O ATOM 1301 CB ALA A 142 3.065 8.828 -5.545 1.00 0.00 C ATOM 0 H ALA A 142 2.198 9.256 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 142 4.267 10.472 -4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 142 3.500 8.857 -6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 142 3.582 8.078 -4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 142 2.008 8.570 -5.616 1.00 0.00 H new ATOM 1307 N TYR A 143 1.176 11.223 -5.712 1.00 0.00 N ATOM 1308 CA TYR A 143 0.387 12.202 -6.516 1.00 0.00 C ATOM 1309 C TYR A 143 0.724 13.624 -6.073 1.00 0.00 C ATOM 1310 O TYR A 143 0.904 14.513 -6.884 1.00 0.00 O ATOM 1311 CB TYR A 143 -1.108 11.945 -6.303 1.00 0.00 C ATOM 1312 CG TYR A 143 -1.907 12.992 -7.041 1.00 0.00 C ATOM 1313 CD1 TYR A 143 -2.078 12.893 -8.427 1.00 0.00 C ATOM 1314 CD2 TYR A 143 -2.472 14.067 -6.342 1.00 0.00 C ATOM 1315 CE1 TYR A 143 -2.813 13.866 -9.114 1.00 0.00 C ATOM 1316 CE2 TYR A 143 -3.209 15.040 -7.029 1.00 0.00 C ATOM 1317 CZ TYR A 143 -3.378 14.939 -8.415 1.00 0.00 C ATOM 1318 OH TYR A 143 -4.101 15.899 -9.092 1.00 0.00 O ATOM 0 H TYR A 143 0.619 10.560 -5.174 1.00 0.00 H new ATOM 0 HA TYR A 143 0.634 12.085 -7.571 1.00 0.00 H new ATOM 0 HB2 TYR A 143 -1.372 10.950 -6.662 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -1.345 11.973 -5.240 1.00 0.00 H new ATOM 0 HD1 TYR A 143 -1.642 12.065 -8.967 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -2.339 14.145 -5.273 1.00 0.00 H new ATOM 0 HE1 TYR A 143 -2.944 13.789 -10.183 1.00 0.00 H new ATOM 0 HE2 TYR A 143 -3.646 15.867 -6.490 1.00 0.00 H new ATOM 0 HH TYR A 143 -4.424 16.573 -8.458 1.00 0.00 H new ATOM 1328 N ASP A 144 0.804 13.843 -4.793 1.00 0.00 N ATOM 1329 CA ASP A 144 1.125 15.202 -4.269 1.00 0.00 C ATOM 1330 C ASP A 144 2.543 15.591 -4.690 1.00 0.00 C ATOM 1331 O ASP A 144 2.844 16.750 -4.897 1.00 0.00 O ATOM 1332 CB ASP A 144 1.030 15.190 -2.740 1.00 0.00 C ATOM 1333 CG ASP A 144 1.397 16.568 -2.190 1.00 0.00 C ATOM 1334 OD1 ASP A 144 0.690 17.515 -2.497 1.00 0.00 O ATOM 1335 OD2 ASP A 144 2.378 16.657 -1.469 1.00 0.00 O ATOM 0 H ASP A 144 0.659 13.131 -4.077 1.00 0.00 H new ATOM 0 HA ASP A 144 0.417 15.926 -4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.020 14.922 -2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 144 1.700 14.434 -2.330 1.00 0.00 H new ATOM 1340 N THR A 145 3.416 14.628 -4.808 1.00 0.00 N ATOM 1341 CA THR A 145 4.824 14.926 -5.206 1.00 0.00 C ATOM 1342 C THR A 145 4.916 14.948 -6.732 1.00 0.00 C ATOM 1343 O THR A 145 5.983 15.089 -7.292 1.00 0.00 O ATOM 1344 CB THR A 145 5.752 13.843 -4.636 1.00 0.00 C ATOM 1345 OG1 THR A 145 5.216 12.560 -4.919 1.00 0.00 O ATOM 1346 CG2 THR A 145 5.872 14.012 -3.124 1.00 0.00 C ATOM 0 H THR A 145 3.214 13.641 -4.645 1.00 0.00 H new ATOM 0 HA THR A 145 5.128 15.896 -4.813 1.00 0.00 H new ATOM 0 HB THR A 145 6.736 13.939 -5.094 1.00 0.00 H new ATOM 0 HG1 THR A 145 4.581 12.627 -5.663 1.00 0.00 H new ATOM 0 HG21 THR A 145 6.531 13.242 -2.723 1.00 0.00 H new ATOM 0 HG22 THR A 145 6.284 14.996 -2.899 1.00 0.00 H new ATOM 0 HG23 THR A 145 4.886 13.919 -2.668 1.00 0.00 H new ATOM 1354 N ARG A 146 3.793 14.799 -7.391 1.00 0.00 N ATOM 1355 CA ARG A 146 3.745 14.807 -8.889 1.00 0.00 C ATOM 1356 C ARG A 146 4.439 13.559 -9.437 1.00 0.00 C ATOM 1357 O ARG A 146 4.777 13.473 -10.601 1.00 0.00 O ATOM 1358 CB ARG A 146 4.413 16.076 -9.437 1.00 0.00 C ATOM 1359 CG ARG A 146 3.783 17.310 -8.773 1.00 0.00 C ATOM 1360 CD ARG A 146 4.418 18.578 -9.349 1.00 0.00 C ATOM 1361 NE ARG A 146 5.868 18.623 -8.988 1.00 0.00 N ATOM 1362 CZ ARG A 146 6.255 19.109 -7.836 1.00 0.00 C ATOM 1363 NH1 ARG A 146 5.381 19.547 -6.969 1.00 0.00 N ATOM 1364 NH2 ARG A 146 7.528 19.154 -7.552 1.00 0.00 N ATOM 0 H ARG A 146 2.886 14.669 -6.943 1.00 0.00 H new ATOM 0 HA ARG A 146 2.704 14.801 -9.210 1.00 0.00 H new ATOM 0 HB2 ARG A 146 5.485 16.050 -9.240 1.00 0.00 H new ATOM 0 HB3 ARG A 146 4.289 16.128 -10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 146 2.707 17.319 -8.945 1.00 0.00 H new ATOM 0 HG3 ARG A 146 3.934 17.273 -7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 146 4.302 18.594 -10.433 1.00 0.00 H new ATOM 0 HD3 ARG A 146 3.909 19.460 -8.961 1.00 0.00 H new ATOM 0 HE ARG A 146 6.563 18.271 -9.646 1.00 0.00 H new ATOM 0 HH11 ARG A 146 4.385 19.512 -7.187 1.00 0.00 H new ATOM 0 HH12 ARG A 146 5.695 19.924 -6.074 1.00 0.00 H new ATOM 0 HH21 ARG A 146 8.213 18.812 -8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 146 7.838 19.531 -6.656 1.00 0.00 H new ATOM 1378 N LEU A 147 4.631 12.583 -8.602 1.00 0.00 N ATOM 1379 CA LEU A 147 5.284 11.310 -9.035 1.00 0.00 C ATOM 1380 C LEU A 147 4.402 10.604 -10.035 1.00 0.00 C ATOM 1381 O LEU A 147 4.882 10.040 -10.997 1.00 0.00 O ATOM 1382 CB LEU A 147 5.512 10.415 -7.796 1.00 0.00 C ATOM 1383 CG LEU A 147 6.865 10.735 -7.130 1.00 0.00 C ATOM 1384 CD1 LEU A 147 7.972 9.976 -7.861 1.00 0.00 C ATOM 1385 CD2 LEU A 147 7.156 12.244 -7.176 1.00 0.00 C ATOM 0 H LEU A 147 4.360 12.609 -7.619 1.00 0.00 H new ATOM 0 HA LEU A 147 6.243 11.525 -9.506 1.00 0.00 H new ATOM 0 HB2 LEU A 147 4.704 10.566 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 147 5.486 9.366 -8.090 1.00 0.00 H new ATOM 0 HG LEU A 147 6.825 10.427 -6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 147 8.933 10.197 -7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 147 7.778 8.905 -7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 147 7.995 10.284 -8.906 1.00 0.00 H new ATOM 0 HD21 LEU A 147 8.116 12.444 -6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 147 7.189 12.577 -8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 147 6.370 12.782 -6.647 1.00 0.00 H new ATOM 1397 N ILE A 148 3.124 10.620 -9.809 1.00 0.00 N ATOM 1398 CA ILE A 148 2.180 9.939 -10.743 1.00 0.00 C ATOM 1399 C ILE A 148 1.123 10.928 -11.217 1.00 0.00 C ATOM 1400 O ILE A 148 0.716 11.822 -10.502 1.00 0.00 O ATOM 1401 CB ILE A 148 1.516 8.763 -10.020 1.00 0.00 C ATOM 1402 CG1 ILE A 148 0.784 9.258 -8.765 1.00 0.00 C ATOM 1403 CG2 ILE A 148 2.584 7.742 -9.621 1.00 0.00 C ATOM 1404 CD1 ILE A 148 0.042 8.088 -8.113 1.00 0.00 C ATOM 0 H ILE A 148 2.684 11.079 -9.011 1.00 0.00 H new ATOM 0 HA ILE A 148 2.725 9.567 -11.610 1.00 0.00 H new ATOM 0 HB ILE A 148 0.794 8.296 -10.689 1.00 0.00 H new ATOM 0 HG12 ILE A 148 1.496 9.688 -8.061 1.00 0.00 H new ATOM 0 HG13 ILE A 148 0.080 10.047 -9.029 1.00 0.00 H new ATOM 0 HG21 ILE A 148 2.113 6.905 -9.106 1.00 0.00 H new ATOM 0 HG22 ILE A 148 3.092 7.379 -10.514 1.00 0.00 H new ATOM 0 HG23 ILE A 148 3.309 8.214 -8.958 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -0.478 8.438 -7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -0.681 7.678 -8.818 1.00 0.00 H new ATOM 0 HD13 ILE A 148 0.757 7.313 -7.835 1.00 0.00 H new ATOM 1416 N LYS A 149 0.675 10.760 -12.427 1.00 0.00 N ATOM 1417 CA LYS A 149 -0.364 11.661 -13.001 1.00 0.00 C ATOM 1418 C LYS A 149 -1.747 11.058 -12.752 1.00 0.00 C ATOM 1419 O LYS A 149 -2.761 11.678 -13.004 1.00 0.00 O ATOM 1420 CB LYS A 149 -0.124 11.804 -14.509 1.00 0.00 C ATOM 1421 CG LYS A 149 -0.144 10.425 -15.185 1.00 0.00 C ATOM 1422 CD LYS A 149 -0.024 10.596 -16.705 1.00 0.00 C ATOM 1423 CE LYS A 149 1.388 11.067 -17.074 1.00 0.00 C ATOM 1424 NZ LYS A 149 1.630 10.832 -18.523 1.00 0.00 N ATOM 0 H LYS A 149 0.990 10.022 -13.056 1.00 0.00 H new ATOM 0 HA LYS A 149 -0.309 12.642 -12.529 1.00 0.00 H new ATOM 0 HB2 LYS A 149 -0.891 12.443 -14.947 1.00 0.00 H new ATOM 0 HB3 LYS A 149 0.835 12.290 -14.687 1.00 0.00 H new ATOM 0 HG2 LYS A 149 0.678 9.814 -14.812 1.00 0.00 H new ATOM 0 HG3 LYS A 149 -1.068 9.902 -14.939 1.00 0.00 H new ATOM 0 HD2 LYS A 149 -0.242 9.651 -17.203 1.00 0.00 H new ATOM 0 HD3 LYS A 149 -0.760 11.319 -17.056 1.00 0.00 H new ATOM 0 HE2 LYS A 149 1.501 12.126 -16.843 1.00 0.00 H new ATOM 0 HE3 LYS A 149 2.128 10.531 -16.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 2.588 11.152 -18.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 1.540 9.817 -18.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 0.932 11.363 -19.082 1.00 0.00 H new ATOM 1438 N ALA A 150 -1.787 9.849 -12.266 1.00 0.00 N ATOM 1439 CA ALA A 150 -3.095 9.181 -12.006 1.00 0.00 C ATOM 1440 C ALA A 150 -3.658 9.632 -10.664 1.00 0.00 C ATOM 1441 O ALA A 150 -3.003 10.301 -9.889 1.00 0.00 O ATOM 1442 CB ALA A 150 -2.898 7.663 -11.981 1.00 0.00 C ATOM 0 H ALA A 150 -0.965 9.291 -12.036 1.00 0.00 H new ATOM 0 HA ALA A 150 -3.792 9.453 -12.798 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -3.854 7.175 -11.791 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -2.506 7.331 -12.942 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -2.193 7.400 -11.192 1.00 0.00 H new ATOM 1448 N MET A 151 -4.879 9.269 -10.391 1.00 0.00 N ATOM 1449 CA MET A 151 -5.532 9.659 -9.105 1.00 0.00 C ATOM 1450 C MET A 151 -6.332 8.473 -8.558 1.00 0.00 C ATOM 1451 O MET A 151 -7.546 8.452 -8.625 1.00 0.00 O ATOM 1452 CB MET A 151 -6.479 10.837 -9.360 1.00 0.00 C ATOM 1453 CG MET A 151 -6.820 11.509 -8.030 1.00 0.00 C ATOM 1454 SD MET A 151 -5.406 12.498 -7.482 1.00 0.00 S ATOM 1455 CE MET A 151 -6.285 13.505 -6.264 1.00 0.00 C ATOM 0 H MET A 151 -5.463 8.710 -11.012 1.00 0.00 H new ATOM 0 HA MET A 151 -4.771 9.948 -8.380 1.00 0.00 H new ATOM 0 HB2 MET A 151 -6.011 11.555 -10.034 1.00 0.00 H new ATOM 0 HB3 MET A 151 -7.389 10.488 -9.848 1.00 0.00 H new ATOM 0 HG2 MET A 151 -7.700 12.143 -8.144 1.00 0.00 H new ATOM 0 HG3 MET A 151 -7.065 10.756 -7.281 1.00 0.00 H new ATOM 0 HE1 MET A 151 -5.564 14.030 -5.637 1.00 0.00 H new ATOM 0 HE2 MET A 151 -6.915 14.231 -6.778 1.00 0.00 H new ATOM 0 HE3 MET A 151 -6.907 12.862 -5.641 1.00 0.00 H new ATOM 1465 N PRO A 152 -5.654 7.499 -8.016 1.00 0.00 N ATOM 1466 CA PRO A 152 -6.304 6.285 -7.435 1.00 0.00 C ATOM 1467 C PRO A 152 -7.249 6.621 -6.276 1.00 0.00 C ATOM 1468 O PRO A 152 -7.023 7.545 -5.519 1.00 0.00 O ATOM 1469 CB PRO A 152 -5.117 5.426 -6.952 1.00 0.00 C ATOM 1470 CG PRO A 152 -3.936 5.941 -7.712 1.00 0.00 C ATOM 1471 CD PRO A 152 -4.191 7.432 -7.900 1.00 0.00 C ATOM 0 HA PRO A 152 -6.934 5.776 -8.165 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -4.969 5.525 -5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -5.286 4.368 -7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -3.010 5.767 -7.163 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -3.837 5.436 -8.673 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -3.825 8.015 -7.055 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -3.696 7.818 -8.791 1.00 0.00 H new