USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 873 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 81 GLN : amide:sc= -0.0508 X(o=-0.051,f=-0.5) USER MOD Set 1.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 115 THR OG1 : rot 131:sc= 1.18 USER MOD Set 2.2: A 138 CYS SG : rot 180:sc= 0.667 USER MOD Set 3.1: A 111 THR OG1 : rot 180:sc= 0.0993 USER MOD Set 3.2: A 142 THR OG1 : rot -100:sc= 0.0719 USER MOD Set 4.1: A 102 SER OG : rot -13:sc= 0.574 USER MOD Set 4.2: A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 47 LYS NZ :NH3+ -172:sc= 0.577 (180deg=0.395) USER MOD Set 5.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 2.48 (180deg=1.85) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.1) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=0.53) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.2) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 47:sc= -0.0321 USER MOD Single : A 97 GLN : amide:sc= -0.575 K(o=-0.58,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.208) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 140:sc= -0.575 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 125:sc= 0.435 USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 144 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.21) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N GLU A 35 -4.627 21.166 -4.252 1.00 0.00 N ATOM 43 CA GLU A 35 -5.430 20.166 -3.465 1.00 0.00 C ATOM 44 C GLU A 35 -4.664 18.822 -3.206 1.00 0.00 C ATOM 45 O GLU A 35 -4.794 17.852 -3.969 1.00 0.00 O ATOM 46 CB GLU A 35 -6.843 20.007 -4.099 1.00 0.00 C ATOM 47 CG GLU A 35 -7.824 18.944 -3.529 1.00 0.00 C ATOM 48 CD GLU A 35 -8.814 18.482 -4.586 1.00 0.00 C ATOM 49 OE1 GLU A 35 -8.368 17.834 -5.563 1.00 0.00 O ATOM 50 OE2 GLU A 35 -10.018 18.775 -4.461 1.00 0.00 O ATOM 0 HA GLU A 35 -5.581 20.554 -2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.339 20.975 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.703 19.788 -5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.260 18.088 -3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.364 19.363 -2.680 1.00 0.00 H new ATOM 57 N TRP A 36 -3.863 18.790 -2.126 1.00 0.00 N ATOM 58 CA TRP A 36 -3.030 17.607 -1.773 1.00 0.00 C ATOM 59 C TRP A 36 -3.038 17.427 -0.236 1.00 0.00 C ATOM 60 O TRP A 36 -2.555 18.284 0.515 1.00 0.00 O ATOM 61 CB TRP A 36 -1.574 17.736 -2.303 1.00 0.00 C ATOM 62 CG TRP A 36 -1.431 17.523 -3.813 1.00 0.00 C ATOM 63 CD1 TRP A 36 -1.270 18.534 -4.781 1.00 0.00 C ATOM 64 CD2 TRP A 36 -1.531 16.340 -4.522 1.00 0.00 C ATOM 65 NE1 TRP A 36 -1.294 18.011 -6.087 1.00 0.00 N ATOM 66 CE2 TRP A 36 -1.461 16.649 -5.902 1.00 0.00 C ATOM 67 CE3 TRP A 36 -1.710 15.002 -4.092 1.00 0.00 C ATOM 68 CZ2 TRP A 36 -1.588 15.620 -6.867 1.00 0.00 C ATOM 69 CZ3 TRP A 36 -1.822 14.005 -5.060 1.00 0.00 C ATOM 70 CH2 TRP A 36 -1.768 14.308 -6.426 1.00 0.00 C ATOM 0 H TRP A 36 -3.769 19.569 -1.475 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.460 16.728 -2.253 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.194 18.726 -2.050 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.946 17.012 -1.785 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.144 19.581 -4.549 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.208 18.519 -6.968 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.758 14.760 -3.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.546 15.846 -7.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.953 12.979 -4.750 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.867 13.513 -7.150 1.00 0.00 H new ATOM 81 N LEU A 37 -3.577 16.278 0.203 1.00 0.00 N ATOM 82 CA LEU A 37 -3.712 15.927 1.638 1.00 0.00 C ATOM 83 C LEU A 37 -2.553 14.967 1.995 1.00 0.00 C ATOM 84 O LEU A 37 -2.555 13.797 1.592 1.00 0.00 O ATOM 85 CB LEU A 37 -5.126 15.303 1.824 1.00 0.00 C ATOM 86 CG LEU A 37 -5.649 14.945 3.245 1.00 0.00 C ATOM 87 CD1 LEU A 37 -4.988 13.715 3.900 1.00 0.00 C ATOM 88 CD2 LEU A 37 -5.675 16.141 4.217 1.00 0.00 C ATOM 0 H LEU A 37 -3.935 15.559 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.638 16.782 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.844 15.994 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.155 14.389 1.230 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.682 14.657 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.422 13.551 4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.158 12.836 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.916 13.888 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.051 15.814 5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.666 16.537 4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.326 16.919 3.819 1.00 0.00 H new ATOM 100 N ASP A 38 -1.570 15.471 2.761 1.00 0.00 N ATOM 101 CA ASP A 38 -0.369 14.687 3.148 1.00 0.00 C ATOM 102 C ASP A 38 -0.643 13.791 4.398 1.00 0.00 C ATOM 103 O ASP A 38 -1.075 14.271 5.455 1.00 0.00 O ATOM 104 CB ASP A 38 0.813 15.674 3.327 1.00 0.00 C ATOM 105 CG ASP A 38 2.170 15.037 3.045 1.00 0.00 C ATOM 106 OD1 ASP A 38 2.714 14.355 3.938 1.00 0.00 O ATOM 107 OD2 ASP A 38 2.680 15.191 1.915 1.00 0.00 O ATOM 0 H ASP A 38 -1.578 16.422 3.129 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.104 13.979 2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.672 16.525 2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.804 16.061 4.346 1.00 0.00 H new ATOM 112 N ILE A 39 -0.406 12.473 4.243 1.00 0.00 N ATOM 113 CA ILE A 39 -0.710 11.446 5.290 1.00 0.00 C ATOM 114 C ILE A 39 0.272 11.583 6.503 1.00 0.00 C ATOM 115 O ILE A 39 -0.195 11.816 7.623 1.00 0.00 O ATOM 116 CB ILE A 39 -0.814 10.001 4.668 1.00 0.00 C ATOM 117 CG1 ILE A 39 -1.929 9.884 3.577 1.00 0.00 C ATOM 118 CG2 ILE A 39 -1.036 8.905 5.748 1.00 0.00 C ATOM 119 CD1 ILE A 39 -1.929 8.595 2.735 1.00 0.00 C ATOM 0 H ILE A 39 0.001 12.079 3.394 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.701 11.632 5.704 1.00 0.00 H new ATOM 0 HB ILE A 39 0.151 9.834 4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.898 9.972 4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.836 10.734 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.101 7.929 5.268 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.201 8.910 6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.962 9.107 6.286 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.746 8.631 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.981 8.507 2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.060 7.733 3.389 1.00 0.00 H new ATOM 131 N LEU A 40 1.599 11.465 6.285 1.00 0.00 N ATOM 132 CA LEU A 40 2.623 11.711 7.345 1.00 0.00 C ATOM 133 C LEU A 40 2.776 13.175 7.890 1.00 0.00 C ATOM 134 O LEU A 40 3.338 13.341 8.977 1.00 0.00 O ATOM 135 CB LEU A 40 3.966 11.023 6.952 1.00 0.00 C ATOM 136 CG LEU A 40 4.668 11.357 5.599 1.00 0.00 C ATOM 137 CD1 LEU A 40 5.317 12.749 5.575 1.00 0.00 C ATOM 138 CD2 LEU A 40 5.741 10.300 5.265 1.00 0.00 C ATOM 0 H LEU A 40 1.996 11.200 5.384 1.00 0.00 H new ATOM 0 HA LEU A 40 2.224 11.234 8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.681 11.239 7.746 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.791 9.947 6.965 1.00 0.00 H new ATOM 0 HG LEU A 40 3.878 11.349 4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.786 12.915 4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.554 13.509 5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.072 12.812 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.218 10.552 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.491 10.281 6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.273 9.319 5.186 1.00 0.00 H new ATOM 150 N GLY A 41 2.277 14.213 7.184 1.00 0.00 N ATOM 151 CA GLY A 41 2.298 15.616 7.667 1.00 0.00 C ATOM 152 C GLY A 41 3.658 16.343 7.579 1.00 0.00 C ATOM 153 O GLY A 41 4.147 16.847 8.592 1.00 0.00 O ATOM 0 H GLY A 41 1.849 14.105 6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.566 16.187 7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.970 15.626 8.706 1.00 0.00 H new ATOM 157 N ASN A 42 4.246 16.395 6.372 1.00 0.00 N ATOM 158 CA ASN A 42 5.578 17.012 6.129 1.00 0.00 C ATOM 159 C ASN A 42 5.613 17.414 4.625 1.00 0.00 C ATOM 160 O ASN A 42 5.365 18.580 4.304 1.00 0.00 O ATOM 161 CB ASN A 42 6.720 16.080 6.650 1.00 0.00 C ATOM 162 CG ASN A 42 8.167 16.541 6.400 1.00 0.00 C ATOM 163 OD1 ASN A 42 8.586 17.616 6.833 1.00 0.00 O ATOM 164 ND2 ASN A 42 8.960 15.725 5.717 1.00 0.00 N ATOM 0 H ASN A 42 3.817 16.012 5.530 1.00 0.00 H new ATOM 0 HA ASN A 42 5.751 17.925 6.698 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.587 15.949 7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.593 15.099 6.191 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.931 15.984 5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.598 14.839 5.365 1.00 0.00 H new ATOM 171 N GLY A 43 5.897 16.459 3.721 1.00 0.00 N ATOM 172 CA GLY A 43 5.845 16.687 2.260 1.00 0.00 C ATOM 173 C GLY A 43 6.530 15.555 1.470 1.00 0.00 C ATOM 174 O GLY A 43 7.490 15.814 0.741 1.00 0.00 O ATOM 0 H GLY A 43 6.168 15.510 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.805 16.771 1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.327 17.636 2.025 1.00 0.00 H new ATOM 178 N LEU A 44 6.037 14.312 1.628 1.00 0.00 N ATOM 179 CA LEU A 44 6.658 13.100 1.033 1.00 0.00 C ATOM 180 C LEU A 44 5.514 12.224 0.450 1.00 0.00 C ATOM 181 O LEU A 44 5.387 12.168 -0.772 1.00 0.00 O ATOM 182 CB LEU A 44 7.570 12.337 2.042 1.00 0.00 C ATOM 183 CG LEU A 44 8.835 13.058 2.592 1.00 0.00 C ATOM 184 CD1 LEU A 44 9.386 12.318 3.826 1.00 0.00 C ATOM 185 CD2 LEU A 44 9.946 13.216 1.535 1.00 0.00 C ATOM 0 H LEU A 44 5.197 14.113 2.171 1.00 0.00 H new ATOM 0 HA LEU A 44 7.338 13.384 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.954 12.051 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.897 11.415 1.562 1.00 0.00 H new ATOM 0 HG LEU A 44 8.518 14.061 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.270 12.837 4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.625 12.295 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.653 11.298 3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.801 13.726 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.254 12.232 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.570 13.802 0.696 1.00 0.00 H new ATOM 197 N LEU A 45 4.672 11.581 1.292 1.00 0.00 N ATOM 198 CA LEU A 45 3.469 10.832 0.840 1.00 0.00 C ATOM 199 C LEU A 45 2.264 11.812 0.771 1.00 0.00 C ATOM 200 O LEU A 45 1.692 12.159 1.809 1.00 0.00 O ATOM 201 CB LEU A 45 3.266 9.635 1.816 1.00 0.00 C ATOM 202 CG LEU A 45 2.008 8.742 1.623 1.00 0.00 C ATOM 203 CD1 LEU A 45 1.954 8.017 0.266 1.00 0.00 C ATOM 204 CD2 LEU A 45 1.917 7.711 2.761 1.00 0.00 C ATOM 0 H LEU A 45 4.804 11.565 2.303 1.00 0.00 H new ATOM 0 HA LEU A 45 3.578 10.418 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.145 8.994 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.241 10.032 2.831 1.00 0.00 H new ATOM 0 HG LEU A 45 1.154 9.419 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.047 7.416 0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.952 8.752 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.825 7.370 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.033 7.089 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.808 7.083 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.846 8.230 3.717 1.00 0.00 H new ATOM 216 N ARG A 46 1.900 12.244 -0.454 1.00 0.00 N ATOM 217 CA ARG A 46 0.765 13.184 -0.689 1.00 0.00 C ATOM 218 C ARG A 46 -0.360 12.470 -1.499 1.00 0.00 C ATOM 219 O ARG A 46 -0.150 12.022 -2.630 1.00 0.00 O ATOM 220 CB ARG A 46 1.210 14.559 -1.271 1.00 0.00 C ATOM 221 CG ARG A 46 1.923 14.625 -2.648 1.00 0.00 C ATOM 222 CD ARG A 46 3.451 14.492 -2.539 1.00 0.00 C ATOM 223 NE ARG A 46 4.092 14.452 -3.883 1.00 0.00 N ATOM 224 CZ ARG A 46 5.363 14.125 -4.111 1.00 0.00 C ATOM 225 NH1 ARG A 46 6.226 13.829 -3.173 1.00 0.00 N ATOM 226 NH2 ARG A 46 5.775 14.105 -5.336 1.00 0.00 N ATOM 0 H ARG A 46 2.377 11.958 -1.309 1.00 0.00 H new ATOM 0 HA ARG A 46 0.338 13.454 0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.321 15.186 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.874 15.021 -0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.539 13.831 -3.288 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.680 15.571 -3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.851 15.331 -1.969 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.700 13.585 -1.989 1.00 0.00 H new ATOM 0 HE ARG A 46 3.515 14.693 -4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.939 13.840 -2.194 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.185 13.587 -3.421 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.133 14.336 -6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.743 13.859 -5.545 1.00 0.00 H new ATOM 240 N LYS A 47 -1.552 12.339 -0.894 1.00 0.00 N ATOM 241 CA LYS A 47 -2.643 11.474 -1.416 1.00 0.00 C ATOM 242 C LYS A 47 -3.930 12.317 -1.660 1.00 0.00 C ATOM 243 O LYS A 47 -4.674 12.624 -0.724 1.00 0.00 O ATOM 244 CB LYS A 47 -2.815 10.307 -0.401 1.00 0.00 C ATOM 245 CG LYS A 47 -3.700 9.114 -0.838 1.00 0.00 C ATOM 246 CD LYS A 47 -5.214 9.254 -0.562 1.00 0.00 C ATOM 247 CE LYS A 47 -5.957 7.910 -0.712 1.00 0.00 C ATOM 248 NZ LYS A 47 -7.428 8.102 -0.605 1.00 0.00 N ATOM 0 H LYS A 47 -1.794 12.825 -0.031 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.409 11.045 -2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.825 9.922 -0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.232 10.718 0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.559 8.956 -1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.341 8.217 -0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.364 9.640 0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.642 9.983 -1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.714 7.461 -1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.620 7.216 0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.898 7.175 -0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.647 8.631 0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.770 8.634 -1.430 1.00 0.00 H new ATOM 262 N LYS A 48 -4.231 12.640 -2.932 1.00 0.00 N ATOM 263 CA LYS A 48 -5.569 13.156 -3.330 1.00 0.00 C ATOM 264 C LYS A 48 -6.567 11.965 -3.491 1.00 0.00 C ATOM 265 O LYS A 48 -6.222 10.926 -4.067 1.00 0.00 O ATOM 266 CB LYS A 48 -5.422 13.956 -4.660 1.00 0.00 C ATOM 267 CG LYS A 48 -6.691 14.724 -5.122 1.00 0.00 C ATOM 268 CD LYS A 48 -6.738 15.105 -6.620 1.00 0.00 C ATOM 269 CE LYS A 48 -5.712 16.132 -7.138 1.00 0.00 C ATOM 270 NZ LYS A 48 -5.890 17.429 -6.435 1.00 0.00 N ATOM 0 H LYS A 48 -3.572 12.555 -3.706 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.964 13.821 -2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.607 14.671 -4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.130 13.264 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.565 14.114 -4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.776 15.636 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.618 14.191 -7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.734 15.491 -6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.700 15.759 -6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.835 16.271 -8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.303 18.155 -6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.889 17.714 -6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.603 17.327 -5.441 1.00 0.00 H new ATOM 284 N THR A 49 -7.825 12.167 -3.060 1.00 0.00 N ATOM 285 CA THR A 49 -8.967 11.342 -3.542 1.00 0.00 C ATOM 286 C THR A 49 -9.411 11.928 -4.921 1.00 0.00 C ATOM 287 O THR A 49 -10.143 12.920 -4.995 1.00 0.00 O ATOM 288 CB THR A 49 -10.098 11.288 -2.473 1.00 0.00 C ATOM 289 OG1 THR A 49 -9.584 10.795 -1.239 1.00 0.00 O ATOM 290 CG2 THR A 49 -11.264 10.368 -2.868 1.00 0.00 C ATOM 0 H THR A 49 -8.084 12.886 -2.385 1.00 0.00 H new ATOM 0 HA THR A 49 -8.683 10.300 -3.691 1.00 0.00 H new ATOM 0 HB THR A 49 -10.467 12.310 -2.386 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.303 10.767 -0.573 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.017 10.376 -2.080 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.708 10.723 -3.798 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.895 9.352 -3.007 1.00 0.00 H new ATOM 298 N LEU A 50 -8.901 11.309 -6.002 1.00 0.00 N ATOM 299 CA LEU A 50 -9.020 11.805 -7.401 1.00 0.00 C ATOM 300 C LEU A 50 -10.493 11.839 -7.919 1.00 0.00 C ATOM 301 O LEU A 50 -11.013 12.929 -8.173 1.00 0.00 O ATOM 302 CB LEU A 50 -8.026 10.962 -8.261 1.00 0.00 C ATOM 303 CG LEU A 50 -7.797 11.385 -9.739 1.00 0.00 C ATOM 304 CD1 LEU A 50 -7.083 12.746 -9.873 1.00 0.00 C ATOM 305 CD2 LEU A 50 -6.992 10.301 -10.489 1.00 0.00 C ATOM 0 H LEU A 50 -8.383 10.433 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.740 12.856 -7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.059 10.971 -7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.376 9.930 -8.260 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.785 11.493 -10.186 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.952 12.986 -10.928 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.684 13.521 -9.397 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.108 12.694 -9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.839 10.611 -11.523 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.025 10.165 -10.004 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.543 9.360 -10.470 1.00 0.00 H new ATOM 317 N VAL A 51 -11.158 10.672 -8.016 1.00 0.00 N ATOM 318 CA VAL A 51 -12.640 10.577 -8.114 1.00 0.00 C ATOM 319 C VAL A 51 -13.101 9.586 -6.979 1.00 0.00 C ATOM 320 O VAL A 51 -12.607 8.453 -6.944 1.00 0.00 O ATOM 321 CB VAL A 51 -13.151 10.261 -9.558 1.00 0.00 C ATOM 322 CG1 VAL A 51 -12.663 8.933 -10.157 1.00 0.00 C ATOM 323 CG2 VAL A 51 -14.689 10.309 -9.670 1.00 0.00 C ATOM 0 H VAL A 51 -10.690 9.766 -8.029 1.00 0.00 H new ATOM 0 HA VAL A 51 -13.114 11.543 -7.941 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.703 11.063 -10.144 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.075 8.812 -11.159 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.574 8.936 -10.211 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.993 8.107 -9.527 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.987 10.082 -10.694 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -15.126 9.575 -8.994 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -15.042 11.305 -9.402 1.00 0.00 H new ATOM 333 N PRO A 52 -14.015 9.949 -6.032 1.00 0.00 N ATOM 334 CA PRO A 52 -14.294 9.136 -4.818 1.00 0.00 C ATOM 335 C PRO A 52 -15.213 7.903 -5.054 1.00 0.00 C ATOM 336 O PRO A 52 -15.906 7.791 -6.073 1.00 0.00 O ATOM 337 CB PRO A 52 -14.928 10.196 -3.887 1.00 0.00 C ATOM 338 CG PRO A 52 -15.638 11.185 -4.812 1.00 0.00 C ATOM 339 CD PRO A 52 -14.743 11.230 -6.051 1.00 0.00 C ATOM 0 HA PRO A 52 -13.402 8.654 -4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -15.630 9.737 -3.191 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -14.167 10.697 -3.288 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -16.646 10.850 -5.058 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -15.732 12.168 -4.350 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.332 11.337 -6.962 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.057 12.076 -6.014 1.00 0.00 H new ATOM 347 N GLY A 53 -15.228 6.999 -4.060 1.00 0.00 N ATOM 348 CA GLY A 53 -16.170 5.858 -4.043 1.00 0.00 C ATOM 349 C GLY A 53 -17.633 6.205 -3.621 1.00 0.00 C ATOM 350 O GLY A 53 -17.883 7.329 -3.169 1.00 0.00 O ATOM 0 H GLY A 53 -14.600 7.033 -3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.193 5.412 -5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.784 5.099 -3.362 1.00 0.00 H new ATOM 354 N PRO A 54 -18.628 5.278 -3.737 1.00 0.00 N ATOM 355 CA PRO A 54 -20.052 5.563 -3.408 1.00 0.00 C ATOM 356 C PRO A 54 -20.369 5.801 -1.887 1.00 0.00 C ATOM 357 O PRO A 54 -19.559 5.401 -1.043 1.00 0.00 O ATOM 358 CB PRO A 54 -20.766 4.311 -3.969 1.00 0.00 C ATOM 359 CG PRO A 54 -19.721 3.196 -3.975 1.00 0.00 C ATOM 360 CD PRO A 54 -18.420 3.927 -4.293 1.00 0.00 C ATOM 0 HA PRO A 54 -20.379 6.511 -3.836 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -21.622 4.040 -3.351 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.145 4.496 -4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -19.671 2.688 -3.012 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.948 2.437 -4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.562 3.434 -3.835 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -18.233 3.961 -5.366 1.00 0.00 H new ATOM 368 N PRO A 55 -21.531 6.404 -1.489 1.00 0.00 N ATOM 369 CA PRO A 55 -21.937 6.544 -0.059 1.00 0.00 C ATOM 370 C PRO A 55 -22.110 5.221 0.756 1.00 0.00 C ATOM 371 O PRO A 55 -21.620 5.156 1.887 1.00 0.00 O ATOM 372 CB PRO A 55 -23.207 7.414 -0.136 1.00 0.00 C ATOM 373 CG PRO A 55 -23.751 7.233 -1.553 1.00 0.00 C ATOM 374 CD PRO A 55 -22.512 7.000 -2.419 1.00 0.00 C ATOM 0 HA PRO A 55 -21.138 6.997 0.528 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -23.941 7.102 0.607 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -22.977 8.461 0.064 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -24.437 6.388 -1.609 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -24.303 8.114 -1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -22.728 6.332 -3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -22.142 7.933 -2.845 1.00 0.00 H new ATOM 382 N GLY A 56 -22.728 4.170 0.176 1.00 0.00 N ATOM 383 CA GLY A 56 -22.585 2.786 0.686 1.00 0.00 C ATOM 384 C GLY A 56 -21.279 2.084 0.228 1.00 0.00 C ATOM 385 O GLY A 56 -20.410 2.679 -0.420 1.00 0.00 O ATOM 0 H GLY A 56 -23.330 4.251 -0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -22.614 2.805 1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -23.440 2.196 0.355 1.00 0.00 H new ATOM 389 N SER A 57 -21.145 0.796 0.603 1.00 0.00 N ATOM 390 CA SER A 57 -19.947 -0.046 0.313 1.00 0.00 C ATOM 391 C SER A 57 -18.650 0.506 0.981 1.00 0.00 C ATOM 392 O SER A 57 -17.910 1.298 0.386 1.00 0.00 O ATOM 393 CB SER A 57 -19.781 -0.366 -1.191 1.00 0.00 C ATOM 394 OG SER A 57 -20.956 -0.952 -1.743 1.00 0.00 O ATOM 0 H SER A 57 -21.868 0.298 1.122 1.00 0.00 H new ATOM 0 HA SER A 57 -20.132 -1.010 0.787 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.543 0.550 -1.733 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.939 -1.045 -1.327 1.00 0.00 H new ATOM 0 HG SER A 57 -20.813 -1.138 -2.694 1.00 0.00 H new ATOM 400 N SER A 58 -18.431 0.114 2.247 1.00 0.00 N ATOM 401 CA SER A 58 -17.432 0.759 3.141 1.00 0.00 C ATOM 402 C SER A 58 -16.083 -0.012 3.222 1.00 0.00 C ATOM 403 O SER A 58 -16.029 -1.238 3.076 1.00 0.00 O ATOM 404 CB SER A 58 -18.069 0.940 4.542 1.00 0.00 C ATOM 405 OG SER A 58 -18.341 -0.303 5.187 1.00 0.00 O ATOM 0 H SER A 58 -18.935 -0.656 2.687 1.00 0.00 H new ATOM 0 HA SER A 58 -17.174 1.729 2.717 1.00 0.00 H new ATOM 0 HB2 SER A 58 -17.400 1.531 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.996 1.505 4.445 1.00 0.00 H new ATOM 0 HG SER A 58 -18.740 -0.135 6.066 1.00 0.00 H new ATOM 411 N ARG A 59 -15.012 0.744 3.525 1.00 0.00 N ATOM 412 CA ARG A 59 -13.632 0.219 3.746 1.00 0.00 C ATOM 413 C ARG A 59 -13.459 -1.066 4.650 1.00 0.00 C ATOM 414 O ARG A 59 -13.969 -1.062 5.778 1.00 0.00 O ATOM 415 CB ARG A 59 -12.715 1.373 4.237 1.00 0.00 C ATOM 416 CG ARG A 59 -13.120 2.112 5.537 1.00 0.00 C ATOM 417 CD ARG A 59 -12.138 3.230 5.941 1.00 0.00 C ATOM 418 NE ARG A 59 -10.875 2.699 6.537 1.00 0.00 N ATOM 419 CZ ARG A 59 -10.715 2.309 7.803 1.00 0.00 C ATOM 420 NH1 ARG A 59 -11.674 2.334 8.695 1.00 0.00 N ATOM 421 NH2 ARG A 59 -9.547 1.871 8.171 1.00 0.00 N ATOM 0 H ARG A 59 -15.072 1.757 3.627 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.334 -0.154 2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.713 0.968 4.380 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -12.649 2.112 3.438 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.113 2.541 5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.189 1.389 6.350 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.897 3.831 5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.623 3.893 6.658 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.064 2.628 5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.603 2.665 8.436 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.491 2.023 9.649 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.782 1.832 7.498 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.396 1.566 9.133 1.00 0.00 H new ATOM 435 N PRO A 60 -12.748 -2.157 4.225 1.00 0.00 N ATOM 436 CA PRO A 60 -12.678 -3.428 4.996 1.00 0.00 C ATOM 437 C PRO A 60 -11.739 -3.417 6.241 1.00 0.00 C ATOM 438 O PRO A 60 -10.898 -2.531 6.426 1.00 0.00 O ATOM 439 CB PRO A 60 -12.234 -4.441 3.918 1.00 0.00 C ATOM 440 CG PRO A 60 -11.482 -3.641 2.858 1.00 0.00 C ATOM 441 CD PRO A 60 -12.152 -2.271 2.877 1.00 0.00 C ATOM 0 HA PRO A 60 -13.632 -3.660 5.469 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.595 -5.211 4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -13.095 -4.948 3.483 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.420 -3.568 3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.560 -4.109 1.877 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.429 -1.475 2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.913 -2.193 2.101 1.00 0.00 H new ATOM 449 N VAL A 61 -11.919 -4.454 7.077 1.00 0.00 N ATOM 450 CA VAL A 61 -11.056 -4.744 8.264 1.00 0.00 C ATOM 451 C VAL A 61 -10.093 -5.926 7.870 1.00 0.00 C ATOM 452 O VAL A 61 -10.360 -6.700 6.939 1.00 0.00 O ATOM 453 CB VAL A 61 -11.952 -5.034 9.528 1.00 0.00 C ATOM 454 CG1 VAL A 61 -11.153 -5.187 10.846 1.00 0.00 C ATOM 455 CG2 VAL A 61 -13.063 -3.982 9.805 1.00 0.00 C ATOM 0 H VAL A 61 -12.673 -5.130 6.957 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.440 -3.889 8.543 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.412 -5.981 9.246 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -11.841 -5.385 11.668 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.452 -6.016 10.752 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.603 -4.268 11.047 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.624 -4.271 10.694 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.607 -3.005 9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.738 -3.932 8.951 1.00 0.00 H new ATOM 465 N LYS A 62 -8.959 -6.076 8.592 1.00 0.00 N ATOM 466 CA LYS A 62 -7.961 -7.152 8.321 1.00 0.00 C ATOM 467 C LYS A 62 -8.523 -8.600 8.543 1.00 0.00 C ATOM 468 O LYS A 62 -9.181 -8.909 9.544 1.00 0.00 O ATOM 469 CB LYS A 62 -6.650 -6.881 9.116 1.00 0.00 C ATOM 470 CG LYS A 62 -5.461 -7.753 8.634 1.00 0.00 C ATOM 471 CD LYS A 62 -4.074 -7.409 9.223 1.00 0.00 C ATOM 472 CE LYS A 62 -2.982 -8.247 8.527 1.00 0.00 C ATOM 473 NZ LYS A 62 -1.618 -7.944 9.029 1.00 0.00 N ATOM 0 H LYS A 62 -8.706 -5.467 9.370 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.725 -7.117 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.384 -5.828 9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.827 -7.070 10.175 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.683 -8.794 8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.400 -7.677 7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.868 -6.347 9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.066 -7.605 10.295 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.192 -9.306 8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.018 -8.063 7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.926 -8.547 8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.396 -6.944 8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.576 -8.128 10.052 1.00 0.00 H new ATOM 487 N GLY A 63 -8.244 -9.447 7.545 1.00 0.00 N ATOM 488 CA GLY A 63 -9.076 -10.634 7.223 1.00 0.00 C ATOM 489 C GLY A 63 -9.817 -10.584 5.854 1.00 0.00 C ATOM 490 O GLY A 63 -10.715 -11.403 5.641 1.00 0.00 O ATOM 0 H GLY A 63 -7.436 -9.337 6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.438 -11.518 7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.817 -10.761 8.012 1.00 0.00 H new ATOM 494 N GLN A 64 -9.450 -9.657 4.942 1.00 0.00 N ATOM 495 CA GLN A 64 -10.101 -9.474 3.626 1.00 0.00 C ATOM 496 C GLN A 64 -8.949 -9.229 2.618 1.00 0.00 C ATOM 497 O GLN A 64 -8.251 -8.209 2.683 1.00 0.00 O ATOM 498 CB GLN A 64 -11.079 -8.263 3.626 1.00 0.00 C ATOM 499 CG GLN A 64 -12.310 -8.339 4.561 1.00 0.00 C ATOM 500 CD GLN A 64 -13.360 -9.394 4.184 1.00 0.00 C ATOM 501 OE1 GLN A 64 -13.380 -10.494 4.732 1.00 0.00 O ATOM 502 NE2 GLN A 64 -14.260 -9.074 3.266 1.00 0.00 N ATOM 0 H GLN A 64 -8.682 -9.005 5.102 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.698 -10.349 3.368 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.510 -7.371 3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.439 -8.121 2.607 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.963 -8.542 5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.792 -7.362 4.579 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.230 -8.157 2.820 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.983 -9.745 3.005 1.00 0.00 H new ATOM 511 N VAL A 65 -8.771 -10.164 1.670 1.00 0.00 N ATOM 512 CA VAL A 65 -7.769 -10.036 0.575 1.00 0.00 C ATOM 513 C VAL A 65 -8.395 -9.122 -0.527 1.00 0.00 C ATOM 514 O VAL A 65 -9.339 -9.514 -1.222 1.00 0.00 O ATOM 515 CB VAL A 65 -7.322 -11.451 0.072 1.00 0.00 C ATOM 516 CG1 VAL A 65 -6.393 -11.394 -1.161 1.00 0.00 C ATOM 517 CG2 VAL A 65 -6.586 -12.275 1.160 1.00 0.00 C ATOM 0 H VAL A 65 -9.310 -11.029 1.632 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.848 -9.564 0.916 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.261 -11.936 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.120 -12.407 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.910 -10.901 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.492 -10.834 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.302 -13.245 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.692 -11.739 1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.246 -12.421 2.015 1.00 0.00 H new ATOM 527 N VAL A 66 -7.848 -7.899 -0.647 1.00 0.00 N ATOM 528 CA VAL A 66 -8.376 -6.847 -1.556 1.00 0.00 C ATOM 529 C VAL A 66 -7.660 -6.903 -2.940 1.00 0.00 C ATOM 530 O VAL A 66 -6.429 -6.971 -3.030 1.00 0.00 O ATOM 531 CB VAL A 66 -8.326 -5.413 -0.920 1.00 0.00 C ATOM 532 CG1 VAL A 66 -9.250 -5.268 0.307 1.00 0.00 C ATOM 533 CG2 VAL A 66 -6.918 -4.870 -0.573 1.00 0.00 C ATOM 0 H VAL A 66 -7.026 -7.605 -0.119 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.433 -7.060 -1.717 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.696 -4.791 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.172 -4.256 0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.281 -5.464 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.951 -5.982 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.009 -3.874 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.438 -5.535 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.314 -4.819 -1.479 1.00 0.00 H new ATOM 543 N THR A 67 -8.470 -6.812 -4.007 1.00 0.00 N ATOM 544 CA THR A 67 -7.985 -6.635 -5.401 1.00 0.00 C ATOM 545 C THR A 67 -7.955 -5.104 -5.693 1.00 0.00 C ATOM 546 O THR A 67 -8.954 -4.407 -5.475 1.00 0.00 O ATOM 547 CB THR A 67 -8.913 -7.412 -6.383 1.00 0.00 C ATOM 548 OG1 THR A 67 -9.059 -8.770 -5.970 1.00 0.00 O ATOM 549 CG2 THR A 67 -8.399 -7.437 -7.835 1.00 0.00 C ATOM 0 H THR A 67 -9.486 -6.858 -3.935 1.00 0.00 H new ATOM 0 HA THR A 67 -6.982 -7.040 -5.535 1.00 0.00 H new ATOM 0 HB THR A 67 -9.861 -6.874 -6.357 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.646 -9.241 -6.597 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.097 -7.995 -8.459 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.315 -6.417 -8.209 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.421 -7.917 -7.866 1.00 0.00 H new ATOM 557 N VAL A 68 -6.805 -4.598 -6.174 1.00 0.00 N ATOM 558 CA VAL A 68 -6.620 -3.151 -6.484 1.00 0.00 C ATOM 559 C VAL A 68 -5.934 -3.013 -7.869 1.00 0.00 C ATOM 560 O VAL A 68 -4.839 -3.534 -8.098 1.00 0.00 O ATOM 561 CB VAL A 68 -5.852 -2.340 -5.379 1.00 0.00 C ATOM 562 CG1 VAL A 68 -6.615 -2.240 -4.044 1.00 0.00 C ATOM 563 CG2 VAL A 68 -4.398 -2.778 -5.091 1.00 0.00 C ATOM 0 H VAL A 68 -5.979 -5.167 -6.361 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.613 -2.702 -6.507 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.794 -1.357 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.024 -1.667 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.571 -1.742 -4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.791 -3.241 -3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.975 -2.144 -4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.390 -3.816 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.803 -2.683 -5.999 1.00 0.00 H new ATOM 573 N HIS A 69 -6.557 -2.234 -8.767 1.00 0.00 N ATOM 574 CA HIS A 69 -5.971 -1.847 -10.074 1.00 0.00 C ATOM 575 C HIS A 69 -4.818 -0.828 -9.869 1.00 0.00 C ATOM 576 O HIS A 69 -5.052 0.345 -9.554 1.00 0.00 O ATOM 577 CB HIS A 69 -7.135 -1.327 -10.961 1.00 0.00 C ATOM 578 CG HIS A 69 -6.905 -0.955 -12.433 1.00 0.00 C ATOM 579 ND1 HIS A 69 -7.955 -0.927 -13.332 1.00 0.00 N ATOM 580 CD2 HIS A 69 -5.737 -0.480 -13.072 1.00 0.00 C ATOM 581 CE1 HIS A 69 -7.325 -0.421 -14.431 1.00 0.00 C ATOM 582 NE2 HIS A 69 -5.985 -0.130 -14.392 1.00 0.00 N ATOM 0 H HIS A 69 -7.489 -1.849 -8.612 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.507 -2.691 -10.584 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.915 -2.089 -10.943 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.541 -0.443 -10.469 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.772 -0.400 -12.593 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.885 -0.248 -15.338 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.361 0.233 -15.113 1.00 0.00 H new ATOM 590 N LEU A 70 -3.578 -1.313 -10.063 1.00 0.00 N ATOM 591 CA LEU A 70 -2.359 -0.475 -9.971 1.00 0.00 C ATOM 592 C LEU A 70 -1.984 0.029 -11.392 1.00 0.00 C ATOM 593 O LEU A 70 -1.895 -0.737 -12.357 1.00 0.00 O ATOM 594 CB LEU A 70 -1.199 -1.282 -9.311 1.00 0.00 C ATOM 595 CG LEU A 70 0.129 -0.498 -9.086 1.00 0.00 C ATOM 596 CD1 LEU A 70 -0.013 0.596 -8.010 1.00 0.00 C ATOM 597 CD2 LEU A 70 1.319 -1.420 -8.761 1.00 0.00 C ATOM 0 H LEU A 70 -3.389 -2.290 -10.287 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.545 0.393 -9.338 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.545 -1.658 -8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.985 -2.151 -9.934 1.00 0.00 H new ATOM 0 HG LEU A 70 0.342 -0.011 -10.037 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.939 1.114 -7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.778 1.310 -8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.300 0.140 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.216 -0.818 -8.615 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.106 -1.982 -7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.478 -2.113 -9.587 1.00 0.00 H new ATOM 609 N GLN A 71 -1.727 1.342 -11.474 1.00 0.00 N ATOM 610 CA GLN A 71 -1.207 1.988 -12.702 1.00 0.00 C ATOM 611 C GLN A 71 -0.116 2.984 -12.222 1.00 0.00 C ATOM 612 O GLN A 71 -0.415 4.136 -11.891 1.00 0.00 O ATOM 613 CB GLN A 71 -2.412 2.600 -13.474 1.00 0.00 C ATOM 614 CG GLN A 71 -2.143 3.126 -14.900 1.00 0.00 C ATOM 615 CD GLN A 71 -1.375 4.455 -14.983 1.00 0.00 C ATOM 616 OE1 GLN A 71 -1.820 5.489 -14.489 1.00 0.00 O ATOM 617 NE2 GLN A 71 -0.210 4.454 -15.610 1.00 0.00 N ATOM 0 H GLN A 71 -1.871 1.989 -10.699 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.734 1.318 -13.420 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.194 1.843 -13.535 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.811 3.422 -12.880 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.583 2.368 -15.448 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.099 3.247 -15.410 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.150 3.590 -16.016 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.328 5.317 -15.687 1.00 0.00 H new ATOM 626 N THR A 72 1.150 2.516 -12.173 1.00 0.00 N ATOM 627 CA THR A 72 2.297 3.316 -11.657 1.00 0.00 C ATOM 628 C THR A 72 2.889 4.165 -12.820 1.00 0.00 C ATOM 629 O THR A 72 3.284 3.637 -13.864 1.00 0.00 O ATOM 630 CB THR A 72 3.367 2.407 -10.978 1.00 0.00 C ATOM 631 OG1 THR A 72 2.766 1.578 -9.988 1.00 0.00 O ATOM 632 CG2 THR A 72 4.502 3.171 -10.274 1.00 0.00 C ATOM 0 H THR A 72 1.411 1.581 -12.486 1.00 0.00 H new ATOM 0 HA THR A 72 1.946 3.995 -10.880 1.00 0.00 H new ATOM 0 HB THR A 72 3.793 1.835 -11.803 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.452 1.013 -9.574 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.199 2.460 -9.831 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.029 3.791 -11.000 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.084 3.805 -9.492 1.00 0.00 H new ATOM 640 N SER A 73 2.936 5.486 -12.593 1.00 0.00 N ATOM 641 CA SER A 73 3.488 6.478 -13.552 1.00 0.00 C ATOM 642 C SER A 73 4.458 7.468 -12.837 1.00 0.00 C ATOM 643 O SER A 73 4.701 7.380 -11.634 1.00 0.00 O ATOM 644 CB SER A 73 2.270 7.151 -14.243 1.00 0.00 C ATOM 645 OG SER A 73 2.665 7.958 -15.345 1.00 0.00 O ATOM 0 H SER A 73 2.590 5.909 -11.732 1.00 0.00 H new ATOM 0 HA SER A 73 4.108 6.013 -14.318 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.577 6.383 -14.586 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.734 7.764 -13.518 1.00 0.00 H new ATOM 0 HG SER A 73 1.872 8.363 -15.755 1.00 0.00 H new ATOM 651 N LEU A 74 5.041 8.410 -13.595 1.00 0.00 N ATOM 652 CA LEU A 74 5.855 9.526 -13.041 1.00 0.00 C ATOM 653 C LEU A 74 4.964 10.792 -12.843 1.00 0.00 C ATOM 654 O LEU A 74 4.021 11.037 -13.607 1.00 0.00 O ATOM 655 CB LEU A 74 7.053 9.743 -14.015 1.00 0.00 C ATOM 656 CG LEU A 74 8.157 10.751 -13.587 1.00 0.00 C ATOM 657 CD1 LEU A 74 8.917 10.324 -12.313 1.00 0.00 C ATOM 658 CD2 LEU A 74 9.147 10.987 -14.742 1.00 0.00 C ATOM 0 H LEU A 74 4.967 8.428 -14.612 1.00 0.00 H new ATOM 0 HA LEU A 74 6.252 9.298 -12.052 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.528 8.776 -14.183 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.651 10.072 -14.973 1.00 0.00 H new ATOM 0 HG LEU A 74 7.644 11.682 -13.345 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.672 11.072 -12.072 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.216 10.236 -11.483 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.401 9.362 -12.483 1.00 0.00 H new ATOM 0 HD21 LEU A 74 9.913 11.695 -14.426 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.617 10.043 -15.017 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.613 11.391 -15.602 1.00 0.00 H new ATOM 670 N GLU A 75 5.299 11.623 -11.831 1.00 0.00 N ATOM 671 CA GLU A 75 4.624 12.944 -11.597 1.00 0.00 C ATOM 672 C GLU A 75 4.711 14.016 -12.750 1.00 0.00 C ATOM 673 O GLU A 75 3.833 14.884 -12.828 1.00 0.00 O ATOM 674 CB GLU A 75 5.086 13.467 -10.204 1.00 0.00 C ATOM 675 CG GLU A 75 4.174 14.541 -9.545 1.00 0.00 C ATOM 676 CD GLU A 75 4.598 14.941 -8.138 1.00 0.00 C ATOM 677 OE1 GLU A 75 5.687 15.526 -7.978 1.00 0.00 O ATOM 678 OE2 GLU A 75 3.868 14.653 -7.162 1.00 0.00 O ATOM 0 H GLU A 75 6.033 11.412 -11.155 1.00 0.00 H new ATOM 0 HA GLU A 75 3.549 12.762 -11.606 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.162 12.617 -9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.088 13.883 -10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.164 15.430 -10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.152 14.163 -9.511 1.00 0.00 H new ATOM 685 N ASN A 76 5.692 13.912 -13.676 1.00 0.00 N ATOM 686 CA ASN A 76 5.648 14.594 -15.002 1.00 0.00 C ATOM 687 C ASN A 76 4.629 13.880 -15.952 1.00 0.00 C ATOM 688 O ASN A 76 3.551 14.439 -16.181 1.00 0.00 O ATOM 689 CB ASN A 76 7.073 14.727 -15.618 1.00 0.00 C ATOM 690 CG ASN A 76 8.046 15.647 -14.851 1.00 0.00 C ATOM 691 OD1 ASN A 76 7.876 16.865 -14.810 1.00 0.00 O ATOM 692 ND2 ASN A 76 9.074 15.087 -14.232 1.00 0.00 N ATOM 0 H ASN A 76 6.535 13.357 -13.532 1.00 0.00 H new ATOM 0 HA ASN A 76 5.287 15.613 -14.863 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.516 13.733 -15.683 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.976 15.100 -16.638 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.735 15.666 -13.714 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.205 14.076 -14.273 1.00 0.00 H new ATOM 699 N GLY A 77 4.933 12.664 -16.462 1.00 0.00 N ATOM 700 CA GLY A 77 3.953 11.850 -17.220 1.00 0.00 C ATOM 701 C GLY A 77 4.619 10.771 -18.096 1.00 0.00 C ATOM 702 O GLY A 77 4.782 10.984 -19.301 1.00 0.00 O ATOM 0 H GLY A 77 5.848 12.225 -16.363 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.268 11.371 -16.520 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.355 12.506 -17.853 1.00 0.00 H new ATOM 706 N THR A 78 4.983 9.620 -17.494 1.00 0.00 N ATOM 707 CA THR A 78 5.617 8.477 -18.216 1.00 0.00 C ATOM 708 C THR A 78 5.243 7.195 -17.416 1.00 0.00 C ATOM 709 O THR A 78 5.699 7.038 -16.277 1.00 0.00 O ATOM 710 CB THR A 78 7.168 8.650 -18.349 1.00 0.00 C ATOM 711 OG1 THR A 78 7.480 9.854 -19.041 1.00 0.00 O ATOM 712 CG2 THR A 78 7.875 7.506 -19.103 1.00 0.00 C ATOM 0 H THR A 78 4.850 9.448 -16.497 1.00 0.00 H new ATOM 0 HA THR A 78 5.251 8.418 -19.241 1.00 0.00 H new ATOM 0 HB THR A 78 7.529 8.658 -17.321 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.453 9.947 -19.114 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.945 7.707 -19.148 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.704 6.565 -18.580 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.476 7.436 -20.115 1.00 0.00 H new ATOM 720 N ARG A 79 4.445 6.271 -18.002 1.00 0.00 N ATOM 721 CA ARG A 79 4.004 5.037 -17.283 1.00 0.00 C ATOM 722 C ARG A 79 5.100 3.926 -17.212 1.00 0.00 C ATOM 723 O ARG A 79 5.401 3.244 -18.197 1.00 0.00 O ATOM 724 CB ARG A 79 2.597 4.547 -17.702 1.00 0.00 C ATOM 725 CG ARG A 79 2.367 4.017 -19.139 1.00 0.00 C ATOM 726 CD ARG A 79 0.904 3.585 -19.395 1.00 0.00 C ATOM 727 NE ARG A 79 -0.023 4.754 -19.426 1.00 0.00 N ATOM 728 CZ ARG A 79 -1.353 4.692 -19.319 1.00 0.00 C ATOM 729 NH1 ARG A 79 -2.045 3.584 -19.268 1.00 0.00 N ATOM 730 NH2 ARG A 79 -2.016 5.810 -19.260 1.00 0.00 N ATOM 0 H ARG A 79 4.094 6.348 -18.957 1.00 0.00 H new ATOM 0 HA ARG A 79 3.875 5.335 -16.242 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.309 3.754 -17.012 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.904 5.373 -17.545 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.642 4.792 -19.855 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.028 3.169 -19.318 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.844 3.049 -20.342 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.588 2.892 -18.615 1.00 0.00 H new ATOM 0 HE ARG A 79 0.394 5.678 -19.538 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.569 2.683 -19.310 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.061 3.621 -19.186 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.519 6.700 -19.296 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.033 5.796 -19.178 1.00 0.00 H new ATOM 744 N VAL A 80 5.677 3.787 -16.007 1.00 0.00 N ATOM 745 CA VAL A 80 6.789 2.841 -15.713 1.00 0.00 C ATOM 746 C VAL A 80 6.330 1.370 -15.462 1.00 0.00 C ATOM 747 O VAL A 80 6.932 0.457 -16.034 1.00 0.00 O ATOM 748 CB VAL A 80 7.752 3.398 -14.605 1.00 0.00 C ATOM 749 CG1 VAL A 80 8.598 4.595 -15.093 1.00 0.00 C ATOM 750 CG2 VAL A 80 7.081 3.770 -13.261 1.00 0.00 C ATOM 0 H VAL A 80 5.388 4.331 -15.194 1.00 0.00 H new ATOM 0 HA VAL A 80 7.375 2.776 -16.630 1.00 0.00 H new ATOM 0 HB VAL A 80 8.398 2.543 -14.407 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.244 4.937 -14.285 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.210 4.287 -15.941 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.938 5.407 -15.398 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.836 4.143 -12.569 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.330 4.542 -13.430 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.604 2.887 -12.836 1.00 0.00 H new ATOM 760 N GLN A 81 5.314 1.137 -14.607 1.00 0.00 N ATOM 761 CA GLN A 81 4.813 -0.228 -14.288 1.00 0.00 C ATOM 762 C GLN A 81 3.260 -0.176 -14.260 1.00 0.00 C ATOM 763 O GLN A 81 2.656 0.029 -13.202 1.00 0.00 O ATOM 764 CB GLN A 81 5.383 -0.783 -12.945 1.00 0.00 C ATOM 765 CG GLN A 81 6.876 -1.199 -12.905 1.00 0.00 C ATOM 766 CD GLN A 81 7.920 -0.075 -12.764 1.00 0.00 C ATOM 767 OE1 GLN A 81 8.780 0.112 -13.625 1.00 0.00 O ATOM 768 NE2 GLN A 81 7.895 0.674 -11.675 1.00 0.00 N ATOM 0 H GLN A 81 4.816 1.880 -14.117 1.00 0.00 H new ATOM 0 HA GLN A 81 5.158 -0.918 -15.058 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.227 -0.025 -12.177 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.787 -1.651 -12.662 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.011 -1.891 -12.074 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.097 -1.751 -13.818 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.181 0.516 -10.964 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.590 1.410 -11.546 1.00 0.00 H new ATOM 777 N GLU A 82 2.611 -0.415 -15.418 1.00 0.00 N ATOM 778 CA GLU A 82 1.139 -0.639 -15.471 1.00 0.00 C ATOM 779 C GLU A 82 0.816 -2.155 -15.265 1.00 0.00 C ATOM 780 O GLU A 82 0.856 -2.962 -16.199 1.00 0.00 O ATOM 781 CB GLU A 82 0.575 -0.012 -16.772 1.00 0.00 C ATOM 782 CG GLU A 82 -0.964 -0.155 -16.938 1.00 0.00 C ATOM 783 CD GLU A 82 -1.623 0.723 -17.989 1.00 0.00 C ATOM 784 OE1 GLU A 82 -0.993 1.092 -19.006 1.00 0.00 O ATOM 785 OE2 GLU A 82 -2.796 1.093 -17.786 1.00 0.00 O ATOM 0 H GLU A 82 3.073 -0.459 -16.326 1.00 0.00 H new ATOM 0 HA GLU A 82 0.629 -0.133 -14.651 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.834 1.047 -16.793 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.065 -0.477 -17.627 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.185 -1.195 -17.177 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.431 0.057 -15.976 1.00 0.00 H new ATOM 792 N GLU A 83 0.484 -2.513 -14.015 1.00 0.00 N ATOM 793 CA GLU A 83 0.126 -3.900 -13.621 1.00 0.00 C ATOM 794 C GLU A 83 -1.383 -3.864 -13.199 1.00 0.00 C ATOM 795 O GLU A 83 -1.652 -3.576 -12.025 1.00 0.00 O ATOM 796 CB GLU A 83 1.077 -4.347 -12.474 1.00 0.00 C ATOM 797 CG GLU A 83 2.575 -4.481 -12.854 1.00 0.00 C ATOM 798 CD GLU A 83 3.486 -4.700 -11.661 1.00 0.00 C ATOM 799 OE1 GLU A 83 3.948 -3.702 -11.068 1.00 0.00 O ATOM 800 OE2 GLU A 83 3.762 -5.871 -11.328 1.00 0.00 O ATOM 0 H GLU A 83 0.454 -1.851 -13.240 1.00 0.00 H new ATOM 0 HA GLU A 83 0.246 -4.626 -14.425 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.991 -3.631 -11.657 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.731 -5.308 -12.094 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.692 -5.313 -13.548 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.890 -3.580 -13.381 1.00 0.00 H new ATOM 807 N PRO A 84 -2.402 -4.071 -14.091 1.00 0.00 N ATOM 808 CA PRO A 84 -3.794 -3.616 -13.818 1.00 0.00 C ATOM 809 C PRO A 84 -4.685 -4.390 -12.799 1.00 0.00 C ATOM 810 O PRO A 84 -5.827 -3.961 -12.614 1.00 0.00 O ATOM 811 CB PRO A 84 -4.427 -3.551 -15.222 1.00 0.00 C ATOM 812 CG PRO A 84 -3.623 -4.530 -16.068 1.00 0.00 C ATOM 813 CD PRO A 84 -2.203 -4.425 -15.510 1.00 0.00 C ATOM 0 HA PRO A 84 -3.735 -2.674 -13.272 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.481 -3.829 -15.192 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.375 -2.542 -15.631 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.012 -5.545 -15.981 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.657 -4.265 -17.125 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.663 -5.366 -15.615 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -1.624 -3.665 -16.034 1.00 0.00 H new ATOM 821 N GLU A 85 -4.216 -5.449 -12.103 1.00 0.00 N ATOM 822 CA GLU A 85 -4.790 -5.860 -10.786 1.00 0.00 C ATOM 823 C GLU A 85 -3.755 -6.580 -9.860 1.00 0.00 C ATOM 824 O GLU A 85 -2.811 -7.239 -10.314 1.00 0.00 O ATOM 825 CB GLU A 85 -6.174 -6.559 -10.879 1.00 0.00 C ATOM 826 CG GLU A 85 -6.378 -7.747 -11.849 1.00 0.00 C ATOM 827 CD GLU A 85 -7.825 -8.220 -11.862 1.00 0.00 C ATOM 828 OE1 GLU A 85 -8.678 -7.509 -12.441 1.00 0.00 O ATOM 829 OE2 GLU A 85 -8.122 -9.279 -11.278 1.00 0.00 O ATOM 0 H GLU A 85 -3.446 -6.037 -12.422 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.018 -4.926 -10.272 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.427 -6.910 -9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.905 -5.795 -11.144 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.083 -7.450 -12.855 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.728 -8.572 -11.557 1.00 0.00 H new ATOM 836 N LEU A 86 -3.947 -6.387 -8.537 1.00 0.00 N ATOM 837 CA LEU A 86 -2.937 -6.707 -7.494 1.00 0.00 C ATOM 838 C LEU A 86 -3.693 -7.278 -6.260 1.00 0.00 C ATOM 839 O LEU A 86 -4.361 -6.544 -5.526 1.00 0.00 O ATOM 840 CB LEU A 86 -2.145 -5.397 -7.193 1.00 0.00 C ATOM 841 CG LEU A 86 -0.962 -5.456 -6.189 1.00 0.00 C ATOM 842 CD1 LEU A 86 0.169 -6.405 -6.630 1.00 0.00 C ATOM 843 CD2 LEU A 86 -0.402 -4.035 -5.972 1.00 0.00 C ATOM 0 H LEU A 86 -4.811 -6.002 -8.156 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.215 -7.462 -7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.757 -5.020 -8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.856 -4.658 -6.823 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.356 -5.860 -5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.962 -6.397 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.224 -7.417 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.570 -6.073 -7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.429 -4.075 -5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.052 -3.633 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.186 -3.392 -5.572 1.00 0.00 H new ATOM 855 N VAL A 87 -3.577 -8.604 -6.057 1.00 0.00 N ATOM 856 CA VAL A 87 -4.353 -9.354 -5.025 1.00 0.00 C ATOM 857 C VAL A 87 -3.414 -9.525 -3.789 1.00 0.00 C ATOM 858 O VAL A 87 -2.467 -10.319 -3.830 1.00 0.00 O ATOM 859 CB VAL A 87 -4.882 -10.706 -5.631 1.00 0.00 C ATOM 860 CG1 VAL A 87 -5.638 -11.595 -4.619 1.00 0.00 C ATOM 861 CG2 VAL A 87 -5.837 -10.511 -6.836 1.00 0.00 C ATOM 0 H VAL A 87 -2.946 -9.194 -6.598 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.247 -8.822 -4.700 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.961 -11.196 -5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -5.970 -12.508 -5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.975 -11.851 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.503 -11.055 -4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.163 -11.484 -7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.706 -9.932 -6.522 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.315 -9.979 -7.632 1.00 0.00 H new ATOM 871 N PHE A 88 -3.681 -8.756 -2.713 1.00 0.00 N ATOM 872 CA PHE A 88 -2.807 -8.702 -1.506 1.00 0.00 C ATOM 873 C PHE A 88 -3.646 -8.712 -0.190 1.00 0.00 C ATOM 874 O PHE A 88 -4.795 -8.259 -0.154 1.00 0.00 O ATOM 875 CB PHE A 88 -1.810 -7.500 -1.607 1.00 0.00 C ATOM 876 CG PHE A 88 -2.310 -6.097 -1.191 1.00 0.00 C ATOM 877 CD1 PHE A 88 -3.084 -5.312 -2.053 1.00 0.00 C ATOM 878 CD2 PHE A 88 -2.004 -5.612 0.087 1.00 0.00 C ATOM 879 CE1 PHE A 88 -3.546 -4.065 -1.637 1.00 0.00 C ATOM 880 CE2 PHE A 88 -2.485 -4.375 0.506 1.00 0.00 C ATOM 881 CZ PHE A 88 -3.253 -3.602 -0.357 1.00 0.00 C ATOM 0 H PHE A 88 -4.503 -8.155 -2.649 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.200 -9.607 -1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.939 -7.738 -0.996 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.467 -7.438 -2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.324 -5.673 -3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.391 -6.202 0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.133 -3.456 -2.309 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.262 -4.016 1.500 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.623 -2.640 -0.034 1.00 0.00 H new ATOM 891 N THR A 89 -3.017 -9.166 0.912 1.00 0.00 N ATOM 892 CA THR A 89 -3.641 -9.178 2.266 1.00 0.00 C ATOM 893 C THR A 89 -3.538 -7.758 2.904 1.00 0.00 C ATOM 894 O THR A 89 -2.463 -7.151 2.941 1.00 0.00 O ATOM 895 CB THR A 89 -2.960 -10.261 3.155 1.00 0.00 C ATOM 896 OG1 THR A 89 -2.917 -11.512 2.472 1.00 0.00 O ATOM 897 CG2 THR A 89 -3.690 -10.531 4.483 1.00 0.00 C ATOM 0 H THR A 89 -2.066 -9.535 0.898 1.00 0.00 H new ATOM 0 HA THR A 89 -4.697 -9.434 2.184 1.00 0.00 H new ATOM 0 HB THR A 89 -1.969 -9.859 3.365 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.485 -12.182 3.043 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.154 -11.297 5.044 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.730 -9.613 5.069 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.704 -10.875 4.278 1.00 0.00 H new ATOM 905 N LEU A 90 -4.676 -7.256 3.412 1.00 0.00 N ATOM 906 CA LEU A 90 -4.832 -5.844 3.851 1.00 0.00 C ATOM 907 C LEU A 90 -3.933 -5.460 5.064 1.00 0.00 C ATOM 908 O LEU A 90 -4.049 -6.044 6.145 1.00 0.00 O ATOM 909 CB LEU A 90 -6.336 -5.641 4.182 1.00 0.00 C ATOM 910 CG LEU A 90 -6.803 -4.171 4.352 1.00 0.00 C ATOM 911 CD1 LEU A 90 -6.928 -3.451 2.995 1.00 0.00 C ATOM 912 CD2 LEU A 90 -8.138 -4.119 5.115 1.00 0.00 C ATOM 0 H LEU A 90 -5.521 -7.814 3.533 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.502 -5.184 3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.927 -6.100 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.561 -6.182 5.101 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.043 -3.647 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.257 -2.425 3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.960 -3.447 2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.656 -3.972 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.453 -3.082 5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.896 -4.671 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.012 -4.568 6.100 1.00 0.00 H new ATOM 924 N GLY A 91 -3.039 -4.478 4.862 1.00 0.00 N ATOM 925 CA GLY A 91 -2.081 -4.035 5.902 1.00 0.00 C ATOM 926 C GLY A 91 -0.938 -5.029 6.207 1.00 0.00 C ATOM 927 O GLY A 91 -0.848 -5.521 7.334 1.00 0.00 O ATOM 0 H GLY A 91 -2.956 -3.969 3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.643 -3.087 5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.631 -3.845 6.823 1.00 0.00 H new ATOM 931 N ASP A 92 -0.089 -5.320 5.203 1.00 0.00 N ATOM 932 CA ASP A 92 1.042 -6.282 5.317 1.00 0.00 C ATOM 933 C ASP A 92 2.181 -5.899 4.318 1.00 0.00 C ATOM 934 O ASP A 92 1.935 -5.479 3.178 1.00 0.00 O ATOM 935 CB ASP A 92 0.577 -7.743 5.047 1.00 0.00 C ATOM 936 CG ASP A 92 -0.218 -8.396 6.167 1.00 0.00 C ATOM 937 OD1 ASP A 92 0.274 -8.456 7.316 1.00 0.00 O ATOM 938 OD2 ASP A 92 -1.365 -8.823 5.934 1.00 0.00 O ATOM 0 H ASP A 92 -0.163 -4.894 4.279 1.00 0.00 H new ATOM 0 HA ASP A 92 1.420 -6.228 6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.030 -7.751 4.142 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.457 -8.354 4.846 1.00 0.00 H new ATOM 943 N CYS A 93 3.443 -6.117 4.749 1.00 0.00 N ATOM 944 CA CYS A 93 4.654 -5.760 3.957 1.00 0.00 C ATOM 945 C CYS A 93 4.967 -6.736 2.775 1.00 0.00 C ATOM 946 O CYS A 93 5.903 -7.540 2.809 1.00 0.00 O ATOM 947 CB CYS A 93 5.831 -5.598 4.943 1.00 0.00 C ATOM 948 SG CYS A 93 6.167 -7.154 5.838 1.00 0.00 S ATOM 0 H CYS A 93 3.657 -6.543 5.651 1.00 0.00 H new ATOM 0 HA CYS A 93 4.468 -4.818 3.442 1.00 0.00 H new ATOM 0 HB2 CYS A 93 6.724 -5.289 4.399 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.603 -4.807 5.658 1.00 0.00 H new ATOM 0 HG CYS A 93 6.184 -8.144 4.996 1.00 0.00 H new ATOM 954 N ASP A 94 4.156 -6.598 1.715 1.00 0.00 N ATOM 955 CA ASP A 94 4.289 -7.345 0.430 1.00 0.00 C ATOM 956 C ASP A 94 4.332 -6.337 -0.770 1.00 0.00 C ATOM 957 O ASP A 94 5.332 -6.277 -1.496 1.00 0.00 O ATOM 958 CB ASP A 94 3.133 -8.384 0.379 1.00 0.00 C ATOM 959 CG ASP A 94 3.229 -9.389 -0.764 1.00 0.00 C ATOM 960 OD1 ASP A 94 4.035 -10.339 -0.664 1.00 0.00 O ATOM 961 OD2 ASP A 94 2.498 -9.232 -1.764 1.00 0.00 O ATOM 0 H ASP A 94 3.367 -5.951 1.716 1.00 0.00 H new ATOM 0 HA ASP A 94 5.225 -7.898 0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.111 -8.929 1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.186 -7.850 0.297 1.00 0.00 H new ATOM 966 N VAL A 95 3.268 -5.519 -0.935 1.00 0.00 N ATOM 967 CA VAL A 95 3.191 -4.422 -1.944 1.00 0.00 C ATOM 968 C VAL A 95 4.173 -3.237 -1.640 1.00 0.00 C ATOM 969 O VAL A 95 4.872 -3.214 -0.619 1.00 0.00 O ATOM 970 CB VAL A 95 1.696 -3.951 -2.104 1.00 0.00 C ATOM 971 CG1 VAL A 95 0.774 -5.041 -2.680 1.00 0.00 C ATOM 972 CG2 VAL A 95 1.059 -3.325 -0.838 1.00 0.00 C ATOM 0 H VAL A 95 2.424 -5.598 -0.367 1.00 0.00 H new ATOM 0 HA VAL A 95 3.529 -4.820 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 95 1.778 -3.144 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.241 -4.652 -2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.132 -5.337 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.777 -5.907 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.031 -3.035 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.068 -4.054 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.630 -2.445 -0.541 1.00 0.00 H new ATOM 982 N ILE A 96 4.185 -2.228 -2.532 1.00 0.00 N ATOM 983 CA ILE A 96 4.910 -0.942 -2.319 1.00 0.00 C ATOM 984 C ILE A 96 4.389 -0.177 -1.057 1.00 0.00 C ATOM 985 O ILE A 96 3.180 -0.122 -0.809 1.00 0.00 O ATOM 986 CB ILE A 96 4.910 -0.044 -3.609 1.00 0.00 C ATOM 987 CG1 ILE A 96 3.553 0.526 -4.118 1.00 0.00 C ATOM 988 CG2 ILE A 96 5.702 -0.669 -4.779 1.00 0.00 C ATOM 989 CD1 ILE A 96 2.575 -0.440 -4.812 1.00 0.00 C ATOM 0 H ILE A 96 3.694 -2.273 -3.425 1.00 0.00 H new ATOM 0 HA ILE A 96 5.952 -1.194 -2.119 1.00 0.00 H new ATOM 0 HB ILE A 96 5.428 0.837 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.037 0.968 -3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.772 1.336 -4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 96 5.665 -0.002 -5.641 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.739 -0.817 -4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.261 -1.630 -5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.677 0.102 -5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.050 -0.867 -5.695 1.00 0.00 H new ATOM 0 HD13 ILE A 96 2.304 -1.240 -4.123 1.00 0.00 H new ATOM 1001 N GLN A 97 5.314 0.393 -0.262 1.00 0.00 N ATOM 1002 CA GLN A 97 4.992 1.084 1.017 1.00 0.00 C ATOM 1003 C GLN A 97 4.071 2.347 0.924 1.00 0.00 C ATOM 1004 O GLN A 97 3.311 2.589 1.864 1.00 0.00 O ATOM 1005 CB GLN A 97 6.348 1.363 1.726 1.00 0.00 C ATOM 1006 CG GLN A 97 6.280 1.763 3.212 1.00 0.00 C ATOM 1007 CD GLN A 97 5.840 0.639 4.169 1.00 0.00 C ATOM 1008 OE1 GLN A 97 6.609 -0.271 4.480 1.00 0.00 O ATOM 1009 NE2 GLN A 97 4.608 0.671 4.652 1.00 0.00 N ATOM 0 H GLN A 97 6.310 0.391 -0.482 1.00 0.00 H new ATOM 0 HA GLN A 97 4.357 0.421 1.605 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.967 0.470 1.642 1.00 0.00 H new ATOM 0 HB3 GLN A 97 6.860 2.157 1.182 1.00 0.00 H new ATOM 0 HG2 GLN A 97 7.262 2.120 3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.589 2.600 3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.977 1.428 4.390 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.290 -0.061 5.287 1.00 0.00 H new ATOM 1018 N ALA A 98 4.084 3.103 -0.194 1.00 0.00 N ATOM 1019 CA ALA A 98 3.045 4.124 -0.508 1.00 0.00 C ATOM 1020 C ALA A 98 1.574 3.600 -0.570 1.00 0.00 C ATOM 1021 O ALA A 98 0.691 4.234 0.011 1.00 0.00 O ATOM 1022 CB ALA A 98 3.430 4.805 -1.834 1.00 0.00 C ATOM 0 H ALA A 98 4.810 3.028 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 98 3.038 4.824 0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.684 5.558 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.405 5.281 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.475 4.058 -2.627 1.00 0.00 H new ATOM 1028 N LEU A 99 1.333 2.438 -1.221 1.00 0.00 N ATOM 1029 CA LEU A 99 0.031 1.713 -1.184 1.00 0.00 C ATOM 1030 C LEU A 99 -0.407 1.279 0.255 1.00 0.00 C ATOM 1031 O LEU A 99 -1.517 1.619 0.666 1.00 0.00 O ATOM 1032 CB LEU A 99 0.092 0.501 -2.168 1.00 0.00 C ATOM 1033 CG LEU A 99 -1.216 0.070 -2.883 1.00 0.00 C ATOM 1034 CD1 LEU A 99 -0.973 -1.157 -3.778 1.00 0.00 C ATOM 1035 CD2 LEU A 99 -2.415 -0.201 -1.950 1.00 0.00 C ATOM 0 H LEU A 99 2.038 1.970 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.744 2.407 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.830 0.732 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.467 -0.359 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.495 0.935 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.904 -1.440 -4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.225 -0.914 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.617 -1.987 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.280 -0.495 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.162 -1.003 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.651 0.703 -1.389 1.00 0.00 H new ATOM 1047 N ASP A 100 0.453 0.560 1.009 1.00 0.00 N ATOM 1048 CA ASP A 100 0.139 0.086 2.389 1.00 0.00 C ATOM 1049 C ASP A 100 -0.034 1.188 3.496 1.00 0.00 C ATOM 1050 O ASP A 100 -0.888 1.042 4.374 1.00 0.00 O ATOM 1051 CB ASP A 100 1.200 -0.991 2.729 1.00 0.00 C ATOM 1052 CG ASP A 100 0.759 -1.933 3.843 1.00 0.00 C ATOM 1053 OD1 ASP A 100 -0.054 -2.840 3.562 1.00 0.00 O ATOM 1054 OD2 ASP A 100 1.216 -1.764 4.994 1.00 0.00 O ATOM 0 H ASP A 100 1.382 0.289 0.687 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.869 -0.330 2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.418 -1.573 1.834 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.127 -0.499 3.023 1.00 0.00 H new ATOM 1059 N LEU A 101 0.710 2.311 3.433 1.00 0.00 N ATOM 1060 CA LEU A 101 0.401 3.537 4.231 1.00 0.00 C ATOM 1061 C LEU A 101 -0.933 4.264 3.850 1.00 0.00 C ATOM 1062 O LEU A 101 -1.601 4.777 4.754 1.00 0.00 O ATOM 1063 CB LEU A 101 1.599 4.524 4.193 1.00 0.00 C ATOM 1064 CG LEU A 101 2.874 4.107 4.981 1.00 0.00 C ATOM 1065 CD1 LEU A 101 4.065 5.001 4.596 1.00 0.00 C ATOM 1066 CD2 LEU A 101 2.672 4.135 6.511 1.00 0.00 C ATOM 0 H LEU A 101 1.534 2.404 2.839 1.00 0.00 H new ATOM 0 HA LEU A 101 0.240 3.182 5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.879 4.679 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.260 5.485 4.579 1.00 0.00 H new ATOM 0 HG LEU A 101 3.084 3.074 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.947 4.694 5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.263 4.904 3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.830 6.040 4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.596 3.835 7.006 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.404 5.144 6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.873 3.446 6.785 1.00 0.00 H new ATOM 1078 N SER A 102 -1.338 4.288 2.561 1.00 0.00 N ATOM 1079 CA SER A 102 -2.705 4.718 2.145 1.00 0.00 C ATOM 1080 C SER A 102 -3.872 3.677 2.292 1.00 0.00 C ATOM 1081 O SER A 102 -5.003 4.040 1.965 1.00 0.00 O ATOM 1082 CB SER A 102 -2.619 5.292 0.709 1.00 0.00 C ATOM 1083 OG SER A 102 -2.383 4.280 -0.264 1.00 0.00 O ATOM 0 H SER A 102 -0.739 4.014 1.782 1.00 0.00 H new ATOM 0 HA SER A 102 -3.004 5.476 2.869 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.547 5.812 0.472 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.819 6.031 0.663 1.00 0.00 H new ATOM 0 HG SER A 102 -2.117 3.450 0.185 1.00 0.00 H new ATOM 1089 N VAL A 103 -3.648 2.446 2.818 1.00 0.00 N ATOM 1090 CA VAL A 103 -4.722 1.460 3.177 1.00 0.00 C ATOM 1091 C VAL A 103 -5.846 2.024 4.126 1.00 0.00 C ATOM 1092 O VAL A 103 -7.006 1.831 3.743 1.00 0.00 O ATOM 1093 CB VAL A 103 -4.084 0.087 3.620 1.00 0.00 C ATOM 1094 CG1 VAL A 103 -4.900 -0.795 4.595 1.00 0.00 C ATOM 1095 CG2 VAL A 103 -3.685 -0.785 2.405 1.00 0.00 C ATOM 0 H VAL A 103 -2.709 2.098 3.010 1.00 0.00 H new ATOM 0 HA VAL A 103 -5.293 1.257 2.271 1.00 0.00 H new ATOM 0 HB VAL A 103 -3.214 0.426 4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.343 -1.706 4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -5.077 -0.247 5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.855 -1.054 4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.250 -1.721 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.569 -0.999 1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.954 -0.250 1.798 1.00 0.00 H new ATOM 1105 N PRO A 104 -5.629 2.721 5.287 1.00 0.00 N ATOM 1106 CA PRO A 104 -6.723 3.423 6.025 1.00 0.00 C ATOM 1107 C PRO A 104 -7.585 4.491 5.270 1.00 0.00 C ATOM 1108 O PRO A 104 -8.689 4.788 5.731 1.00 0.00 O ATOM 1109 CB PRO A 104 -5.996 4.003 7.257 1.00 0.00 C ATOM 1110 CG PRO A 104 -4.516 4.055 6.874 1.00 0.00 C ATOM 1111 CD PRO A 104 -4.321 2.850 5.958 1.00 0.00 C ATOM 0 HA PRO A 104 -7.517 2.708 6.241 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.372 4.996 7.503 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.152 3.376 8.135 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -4.270 4.986 6.364 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -3.875 3.994 7.754 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -3.516 3.015 5.242 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.068 1.952 6.522 1.00 0.00 H new ATOM 1119 N LEU A 105 -7.116 5.028 4.124 1.00 0.00 N ATOM 1120 CA LEU A 105 -7.958 5.812 3.184 1.00 0.00 C ATOM 1121 C LEU A 105 -8.174 4.970 1.879 1.00 0.00 C ATOM 1122 O LEU A 105 -7.629 5.300 0.822 1.00 0.00 O ATOM 1123 CB LEU A 105 -7.311 7.206 2.910 1.00 0.00 C ATOM 1124 CG LEU A 105 -7.197 8.222 4.088 1.00 0.00 C ATOM 1125 CD1 LEU A 105 -5.942 8.014 4.968 1.00 0.00 C ATOM 1126 CD2 LEU A 105 -7.198 9.673 3.562 1.00 0.00 C ATOM 0 H LEU A 105 -6.147 4.933 3.821 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.937 6.011 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.307 7.034 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.882 7.685 2.114 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.071 8.039 4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.930 8.756 5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.964 7.015 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.046 8.124 4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.118 10.364 4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.351 9.817 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.126 9.864 3.022 1.00 0.00 H new ATOM 1138 N MET A 106 -8.973 3.880 1.953 1.00 0.00 N ATOM 1139 CA MET A 106 -9.357 3.061 0.766 1.00 0.00 C ATOM 1140 C MET A 106 -10.769 2.468 1.035 1.00 0.00 C ATOM 1141 O MET A 106 -10.906 1.356 1.557 1.00 0.00 O ATOM 1142 CB MET A 106 -8.352 1.920 0.413 1.00 0.00 C ATOM 1143 CG MET A 106 -7.047 2.331 -0.280 1.00 0.00 C ATOM 1144 SD MET A 106 -7.387 3.175 -1.839 1.00 0.00 S ATOM 1145 CE MET A 106 -5.868 4.127 -2.025 1.00 0.00 C ATOM 0 H MET A 106 -9.370 3.540 2.829 1.00 0.00 H new ATOM 0 HA MET A 106 -9.349 3.720 -0.102 1.00 0.00 H new ATOM 0 HB2 MET A 106 -8.096 1.397 1.334 1.00 0.00 H new ATOM 0 HB3 MET A 106 -8.865 1.203 -0.228 1.00 0.00 H new ATOM 0 HG2 MET A 106 -6.473 2.986 0.375 1.00 0.00 H new ATOM 0 HG3 MET A 106 -6.435 1.448 -0.465 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.914 4.710 -2.945 1.00 0.00 H new ATOM 0 HE2 MET A 106 -5.754 4.800 -1.175 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.016 3.448 -2.068 1.00 0.00 H new ATOM 1155 N ASP A 107 -11.815 3.208 0.625 1.00 0.00 N ATOM 1156 CA ASP A 107 -13.213 2.690 0.569 1.00 0.00 C ATOM 1157 C ASP A 107 -13.514 1.961 -0.782 1.00 0.00 C ATOM 1158 O ASP A 107 -12.793 2.094 -1.781 1.00 0.00 O ATOM 1159 CB ASP A 107 -14.188 3.853 0.907 1.00 0.00 C ATOM 1160 CG ASP A 107 -14.312 4.128 2.409 1.00 0.00 C ATOM 1161 OD1 ASP A 107 -15.178 3.502 3.058 1.00 0.00 O ATOM 1162 OD2 ASP A 107 -13.520 4.922 2.959 1.00 0.00 O ATOM 0 H ASP A 107 -11.726 4.178 0.323 1.00 0.00 H new ATOM 0 HA ASP A 107 -13.358 1.914 1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.847 4.759 0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -15.174 3.619 0.506 1.00 0.00 H new ATOM 1167 N VAL A 108 -14.579 1.130 -0.784 1.00 0.00 N ATOM 1168 CA VAL A 108 -14.826 0.132 -1.868 1.00 0.00 C ATOM 1169 C VAL A 108 -15.392 0.869 -3.121 1.00 0.00 C ATOM 1170 O VAL A 108 -16.553 1.287 -3.131 1.00 0.00 O ATOM 1171 CB VAL A 108 -15.713 -1.054 -1.352 1.00 0.00 C ATOM 1172 CG1 VAL A 108 -16.046 -2.102 -2.442 1.00 0.00 C ATOM 1173 CG2 VAL A 108 -15.085 -1.813 -0.158 1.00 0.00 C ATOM 0 H VAL A 108 -15.287 1.124 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 108 -13.892 -0.338 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.629 -0.556 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -16.662 -2.892 -2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -16.589 -1.621 -3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -15.122 -2.532 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -15.749 -2.621 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -14.123 -2.229 -0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -14.940 -1.125 0.675 1.00 0.00 H new ATOM 1183 N GLY A 109 -14.526 1.038 -4.136 1.00 0.00 N ATOM 1184 CA GLY A 109 -14.758 1.980 -5.258 1.00 0.00 C ATOM 1185 C GLY A 109 -13.864 3.251 -5.340 1.00 0.00 C ATOM 1186 O GLY A 109 -14.051 4.007 -6.298 1.00 0.00 O ATOM 0 H GLY A 109 -13.645 0.529 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.638 1.426 -6.189 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -15.797 2.305 -5.212 1.00 0.00 H new ATOM 1190 N GLU A 110 -12.925 3.515 -4.400 1.00 0.00 N ATOM 1191 CA GLU A 110 -12.103 4.756 -4.399 1.00 0.00 C ATOM 1192 C GLU A 110 -10.956 4.723 -5.462 1.00 0.00 C ATOM 1193 O GLU A 110 -9.977 3.979 -5.326 1.00 0.00 O ATOM 1194 CB GLU A 110 -11.538 4.998 -2.969 1.00 0.00 C ATOM 1195 CG GLU A 110 -10.979 6.432 -2.756 1.00 0.00 C ATOM 1196 CD GLU A 110 -10.009 6.621 -1.601 1.00 0.00 C ATOM 1197 OE1 GLU A 110 -8.854 6.154 -1.692 1.00 0.00 O ATOM 1198 OE2 GLU A 110 -10.329 7.349 -0.643 1.00 0.00 O ATOM 0 H GLU A 110 -12.715 2.883 -3.627 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.749 5.587 -4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -12.326 4.812 -2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.746 4.275 -2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.480 6.743 -3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.822 7.107 -2.607 1.00 0.00 H new ATOM 1205 N THR A 111 -11.062 5.606 -6.472 1.00 0.00 N ATOM 1206 CA THR A 111 -9.925 5.953 -7.368 1.00 0.00 C ATOM 1207 C THR A 111 -9.168 7.138 -6.705 1.00 0.00 C ATOM 1208 O THR A 111 -9.741 8.217 -6.514 1.00 0.00 O ATOM 1209 CB THR A 111 -10.453 6.298 -8.790 1.00 0.00 C ATOM 1210 OG1 THR A 111 -11.126 5.174 -9.348 1.00 0.00 O ATOM 1211 CG2 THR A 111 -9.369 6.727 -9.797 1.00 0.00 C ATOM 0 H THR A 111 -11.926 6.099 -6.695 1.00 0.00 H new ATOM 0 HA THR A 111 -9.238 5.116 -7.495 1.00 0.00 H new ATOM 0 HB THR A 111 -11.116 7.150 -8.637 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.456 5.401 -10.242 1.00 0.00 H new ATOM 0 HG21 THR A 111 -9.832 6.947 -10.759 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.861 7.617 -9.427 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.646 5.921 -9.919 1.00 0.00 H new ATOM 1219 N ALA A 112 -7.890 6.919 -6.352 1.00 0.00 N ATOM 1220 CA ALA A 112 -7.072 7.940 -5.655 1.00 0.00 C ATOM 1221 C ALA A 112 -5.624 7.961 -6.185 1.00 0.00 C ATOM 1222 O ALA A 112 -4.976 6.914 -6.279 1.00 0.00 O ATOM 1223 CB ALA A 112 -7.103 7.680 -4.143 1.00 0.00 C ATOM 0 H ALA A 112 -7.396 6.046 -6.536 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.499 8.923 -5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.501 8.432 -3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.131 7.734 -3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.699 6.689 -3.936 1.00 0.00 H new ATOM 1229 N MET A 113 -5.105 9.175 -6.474 1.00 0.00 N ATOM 1230 CA MET A 113 -3.687 9.366 -6.864 1.00 0.00 C ATOM 1231 C MET A 113 -2.828 9.411 -5.573 1.00 0.00 C ATOM 1232 O MET A 113 -2.850 10.385 -4.814 1.00 0.00 O ATOM 1233 CB MET A 113 -3.527 10.633 -7.742 1.00 0.00 C ATOM 1234 CG MET A 113 -2.125 10.811 -8.359 1.00 0.00 C ATOM 1235 SD MET A 113 -1.683 9.405 -9.410 1.00 0.00 S ATOM 1236 CE MET A 113 -2.378 9.897 -11.002 1.00 0.00 C ATOM 0 H MET A 113 -5.646 10.039 -6.445 1.00 0.00 H new ATOM 0 HA MET A 113 -3.340 8.534 -7.477 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.262 10.598 -8.546 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.758 11.510 -7.137 1.00 0.00 H new ATOM 0 HG2 MET A 113 -2.098 11.729 -8.946 1.00 0.00 H new ATOM 0 HG3 MET A 113 -1.387 10.919 -7.564 1.00 0.00 H new ATOM 0 HE1 MET A 113 -2.178 9.122 -11.741 1.00 0.00 H new ATOM 0 HE2 MET A 113 -3.455 10.034 -10.902 1.00 0.00 H new ATOM 0 HE3 MET A 113 -1.921 10.833 -11.325 1.00 0.00 H new ATOM 1246 N VAL A 114 -2.088 8.314 -5.359 1.00 0.00 N ATOM 1247 CA VAL A 114 -1.197 8.134 -4.186 1.00 0.00 C ATOM 1248 C VAL A 114 0.235 8.420 -4.733 1.00 0.00 C ATOM 1249 O VAL A 114 0.914 7.495 -5.187 1.00 0.00 O ATOM 1250 CB VAL A 114 -1.367 6.691 -3.576 1.00 0.00 C ATOM 1251 CG1 VAL A 114 -0.535 6.518 -2.288 1.00 0.00 C ATOM 1252 CG2 VAL A 114 -2.818 6.228 -3.277 1.00 0.00 C ATOM 0 H VAL A 114 -2.085 7.517 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 114 -1.428 8.805 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.004 6.054 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.677 5.511 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.520 6.674 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -0.860 7.246 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.800 5.221 -2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.277 6.909 -2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -3.398 6.229 -4.200 1.00 0.00 H new ATOM 1262 N THR A 115 0.680 9.694 -4.733 1.00 0.00 N ATOM 1263 CA THR A 115 2.000 10.082 -5.307 1.00 0.00 C ATOM 1264 C THR A 115 2.974 10.385 -4.144 1.00 0.00 C ATOM 1265 O THR A 115 2.834 11.388 -3.440 1.00 0.00 O ATOM 1266 CB THR A 115 1.899 11.186 -6.398 1.00 0.00 C ATOM 1267 OG1 THR A 115 3.187 11.403 -6.966 1.00 0.00 O ATOM 1268 CG2 THR A 115 1.338 12.547 -5.985 1.00 0.00 C ATOM 0 H THR A 115 0.151 10.475 -4.345 1.00 0.00 H new ATOM 0 HA THR A 115 2.415 9.247 -5.871 1.00 0.00 H new ATOM 0 HB THR A 115 1.166 10.781 -7.095 1.00 0.00 H new ATOM 0 HG1 THR A 115 3.121 11.381 -7.944 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.328 13.213 -6.848 1.00 0.00 H new ATOM 0 HG22 THR A 115 0.322 12.423 -5.610 1.00 0.00 H new ATOM 0 HG23 THR A 115 1.964 12.976 -5.202 1.00 0.00 H new ATOM 1276 N ALA A 116 3.944 9.476 -3.963 1.00 0.00 N ATOM 1277 CA ALA A 116 4.945 9.561 -2.878 1.00 0.00 C ATOM 1278 C ALA A 116 6.367 9.883 -3.416 1.00 0.00 C ATOM 1279 O ALA A 116 6.613 9.970 -4.623 1.00 0.00 O ATOM 1280 CB ALA A 116 4.869 8.234 -2.097 1.00 0.00 C ATOM 0 H ALA A 116 4.060 8.659 -4.563 1.00 0.00 H new ATOM 0 HA ALA A 116 4.724 10.392 -2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.593 8.249 -1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 116 3.866 8.109 -1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.094 7.404 -2.767 1.00 0.00 H new ATOM 1286 N ASP A 117 7.316 10.043 -2.480 1.00 0.00 N ATOM 1287 CA ASP A 117 8.769 10.141 -2.788 1.00 0.00 C ATOM 1288 C ASP A 117 9.382 8.816 -3.377 1.00 0.00 C ATOM 1289 O ASP A 117 8.856 7.712 -3.165 1.00 0.00 O ATOM 1290 CB ASP A 117 9.398 10.585 -1.436 1.00 0.00 C ATOM 1291 CG ASP A 117 10.856 11.028 -1.490 1.00 0.00 C ATOM 1292 OD1 ASP A 117 11.211 11.822 -2.386 1.00 0.00 O ATOM 1293 OD2 ASP A 117 11.647 10.590 -0.628 1.00 0.00 O ATOM 0 H ASP A 117 7.107 10.109 -1.484 1.00 0.00 H new ATOM 0 HA ASP A 117 8.977 10.851 -3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 117 8.804 11.406 -1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.316 9.758 -0.731 1.00 0.00 H new ATOM 1298 N SER A 118 10.522 8.933 -4.094 1.00 0.00 N ATOM 1299 CA SER A 118 11.298 7.754 -4.589 1.00 0.00 C ATOM 1300 C SER A 118 12.093 7.080 -3.427 1.00 0.00 C ATOM 1301 O SER A 118 13.283 7.323 -3.206 1.00 0.00 O ATOM 1302 CB SER A 118 12.192 8.218 -5.755 1.00 0.00 C ATOM 1303 OG SER A 118 12.895 7.124 -6.334 1.00 0.00 O ATOM 0 H SER A 118 10.933 9.831 -4.348 1.00 0.00 H new ATOM 0 HA SER A 118 10.627 6.981 -4.964 1.00 0.00 H new ATOM 0 HB2 SER A 118 11.580 8.703 -6.515 1.00 0.00 H new ATOM 0 HB3 SER A 118 12.904 8.962 -5.397 1.00 0.00 H new ATOM 0 HG SER A 118 13.453 7.447 -7.072 1.00 0.00 H new ATOM 1309 N LYS A 119 11.336 6.299 -2.642 1.00 0.00 N ATOM 1310 CA LYS A 119 11.621 6.010 -1.205 1.00 0.00 C ATOM 1311 C LYS A 119 10.483 5.063 -0.695 1.00 0.00 C ATOM 1312 O LYS A 119 10.744 3.894 -0.394 1.00 0.00 O ATOM 1313 CB LYS A 119 11.761 7.333 -0.381 1.00 0.00 C ATOM 1314 CG LYS A 119 11.999 7.207 1.141 1.00 0.00 C ATOM 1315 CD LYS A 119 12.085 8.610 1.777 1.00 0.00 C ATOM 1316 CE LYS A 119 12.279 8.590 3.301 1.00 0.00 C ATOM 1317 NZ LYS A 119 12.375 9.997 3.775 1.00 0.00 N ATOM 0 H LYS A 119 10.492 5.837 -2.981 1.00 0.00 H new ATOM 0 HA LYS A 119 12.580 5.507 -1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.586 7.906 -0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.855 7.920 -0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.189 6.640 1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 119 12.920 6.656 1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.912 9.155 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.174 9.161 1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.444 8.082 3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.182 8.038 3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.184 10.033 4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.331 10.362 3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.677 10.581 3.272 1.00 0.00 H new ATOM 1331 N TYR A 120 9.237 5.581 -0.621 1.00 0.00 N ATOM 1332 CA TYR A 120 8.017 4.789 -0.292 1.00 0.00 C ATOM 1333 C TYR A 120 7.496 3.943 -1.492 1.00 0.00 C ATOM 1334 O TYR A 120 7.149 2.778 -1.286 1.00 0.00 O ATOM 1335 CB TYR A 120 6.886 5.699 0.270 1.00 0.00 C ATOM 1336 CG TYR A 120 7.246 6.492 1.541 1.00 0.00 C ATOM 1337 CD1 TYR A 120 7.167 5.888 2.801 1.00 0.00 C ATOM 1338 CD2 TYR A 120 7.759 7.788 1.431 1.00 0.00 C ATOM 1339 CE1 TYR A 120 7.617 6.567 3.931 1.00 0.00 C ATOM 1340 CE2 TYR A 120 8.221 8.458 2.559 1.00 0.00 C ATOM 1341 CZ TYR A 120 8.154 7.847 3.809 1.00 0.00 C ATOM 1342 OH TYR A 120 8.641 8.497 4.913 1.00 0.00 O ATOM 0 H TYR A 120 9.041 6.568 -0.788 1.00 0.00 H new ATOM 0 HA TYR A 120 8.316 4.084 0.484 1.00 0.00 H new ATOM 0 HB2 TYR A 120 6.591 6.405 -0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 120 6.016 5.078 0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 120 6.756 4.894 2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 120 7.797 8.271 0.466 1.00 0.00 H new ATOM 0 HE1 TYR A 120 7.550 6.101 4.903 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.632 9.452 2.466 1.00 0.00 H new ATOM 0 HH TYR A 120 8.979 9.379 4.651 1.00 0.00 H new ATOM 1352 N CYS A 121 7.475 4.485 -2.734 1.00 0.00 N ATOM 1353 CA CYS A 121 7.236 3.681 -3.963 1.00 0.00 C ATOM 1354 C CYS A 121 8.277 2.538 -4.155 1.00 0.00 C ATOM 1355 O CYS A 121 7.886 1.371 -4.103 1.00 0.00 O ATOM 1356 CB CYS A 121 7.148 4.597 -5.205 1.00 0.00 C ATOM 1357 SG CYS A 121 5.828 5.839 -5.022 1.00 0.00 S ATOM 0 H CYS A 121 7.621 5.478 -2.914 1.00 0.00 H new ATOM 0 HA CYS A 121 6.274 3.184 -3.837 1.00 0.00 H new ATOM 0 HB2 CYS A 121 8.103 5.099 -5.357 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.961 3.992 -6.092 1.00 0.00 H new ATOM 0 HG CYS A 121 6.237 6.980 -5.493 1.00 0.00 H new ATOM 1363 N TYR A 122 9.578 2.850 -4.341 1.00 0.00 N ATOM 1364 CA TYR A 122 10.631 1.818 -4.546 1.00 0.00 C ATOM 1365 C TYR A 122 11.913 2.248 -3.782 1.00 0.00 C ATOM 1366 O TYR A 122 12.200 1.685 -2.720 1.00 0.00 O ATOM 1367 CB TYR A 122 10.864 1.498 -6.057 1.00 0.00 C ATOM 1368 CG TYR A 122 9.678 0.866 -6.809 1.00 0.00 C ATOM 1369 CD1 TYR A 122 9.385 -0.491 -6.667 1.00 0.00 C ATOM 1370 CD2 TYR A 122 8.869 1.662 -7.630 1.00 0.00 C ATOM 1371 CE1 TYR A 122 8.302 -1.053 -7.339 1.00 0.00 C ATOM 1372 CE2 TYR A 122 7.779 1.102 -8.287 1.00 0.00 C ATOM 1373 CZ TYR A 122 7.494 -0.252 -8.147 1.00 0.00 C ATOM 1374 OH TYR A 122 6.416 -0.795 -8.799 1.00 0.00 O ATOM 0 H TYR A 122 9.929 3.807 -4.354 1.00 0.00 H new ATOM 0 HA TYR A 122 10.299 0.868 -4.127 1.00 0.00 H new ATOM 0 HB2 TYR A 122 11.138 2.423 -6.565 1.00 0.00 H new ATOM 0 HB3 TYR A 122 11.718 0.825 -6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 122 10.002 -1.109 -6.032 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.092 2.712 -7.753 1.00 0.00 H new ATOM 0 HE1 TYR A 122 8.088 -2.106 -7.235 1.00 0.00 H new ATOM 0 HE2 TYR A 122 7.150 1.722 -8.909 1.00 0.00 H new ATOM 0 HH TYR A 122 5.962 -0.098 -9.317 1.00 0.00 H new ATOM 1384 N GLY A 123 12.677 3.223 -4.311 1.00 0.00 N ATOM 1385 CA GLY A 123 13.968 3.639 -3.726 1.00 0.00 C ATOM 1386 C GLY A 123 14.792 4.572 -4.662 1.00 0.00 C ATOM 1387 O GLY A 123 14.521 4.599 -5.870 1.00 0.00 O ATOM 0 H GLY A 123 12.420 3.742 -5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.784 4.152 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.558 2.752 -3.496 1.00 0.00 H new ATOM 1391 N PRO A 124 15.825 5.326 -4.178 1.00 0.00 N ATOM 1392 CA PRO A 124 16.602 6.273 -5.031 1.00 0.00 C ATOM 1393 C PRO A 124 17.790 5.626 -5.826 1.00 0.00 C ATOM 1394 O PRO A 124 18.955 6.000 -5.652 1.00 0.00 O ATOM 1395 CB PRO A 124 17.025 7.317 -3.975 1.00 0.00 C ATOM 1396 CG PRO A 124 17.230 6.522 -2.683 1.00 0.00 C ATOM 1397 CD PRO A 124 16.139 5.452 -2.738 1.00 0.00 C ATOM 0 HA PRO A 124 16.034 6.686 -5.865 1.00 0.00 H new ATOM 0 HB2 PRO A 124 17.941 7.828 -4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 124 16.259 8.082 -3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 124 18.224 6.078 -2.640 1.00 0.00 H new ATOM 0 HG3 PRO A 124 17.125 7.156 -1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 124 16.487 4.507 -2.322 1.00 0.00 H new ATOM 0 HD3 PRO A 124 15.261 5.749 -2.164 1.00 0.00 H new ATOM 1405 N GLN A 125 17.478 4.656 -6.709 1.00 0.00 N ATOM 1406 CA GLN A 125 18.486 3.892 -7.491 1.00 0.00 C ATOM 1407 C GLN A 125 17.775 3.295 -8.744 1.00 0.00 C ATOM 1408 O GLN A 125 17.949 3.824 -9.845 1.00 0.00 O ATOM 1409 CB GLN A 125 19.240 2.854 -6.602 1.00 0.00 C ATOM 1410 CG GLN A 125 20.434 2.160 -7.294 1.00 0.00 C ATOM 1411 CD GLN A 125 21.095 1.087 -6.415 1.00 0.00 C ATOM 1412 OE1 GLN A 125 20.658 -0.063 -6.376 1.00 0.00 O ATOM 1413 NE2 GLN A 125 22.151 1.434 -5.696 1.00 0.00 N ATOM 0 H GLN A 125 16.517 4.375 -6.905 1.00 0.00 H new ATOM 0 HA GLN A 125 19.282 4.545 -7.848 1.00 0.00 H new ATOM 0 HB2 GLN A 125 19.600 3.358 -5.705 1.00 0.00 H new ATOM 0 HB3 GLN A 125 18.532 2.091 -6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 125 20.093 1.702 -8.222 1.00 0.00 H new ATOM 0 HG3 GLN A 125 21.177 2.910 -7.563 1.00 0.00 H new ATOM 0 HE21 GLN A 125 22.504 2.390 -5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 125 22.612 0.745 -5.101 1.00 0.00 H new ATOM 1422 N GLY A 126 16.996 2.203 -8.584 1.00 0.00 N ATOM 1423 CA GLY A 126 16.293 1.544 -9.703 1.00 0.00 C ATOM 1424 C GLY A 126 16.328 0.016 -9.547 1.00 0.00 C ATOM 1425 O GLY A 126 17.312 -0.612 -9.949 1.00 0.00 O ATOM 0 H GLY A 126 16.838 1.757 -7.680 1.00 0.00 H new ATOM 0 HA2 GLY A 126 15.259 1.886 -9.740 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.757 1.828 -10.647 1.00 0.00 H new ATOM 1429 N ARG A 127 15.260 -0.564 -8.970 1.00 0.00 N ATOM 1430 CA ARG A 127 15.198 -2.027 -8.657 1.00 0.00 C ATOM 1431 C ARG A 127 14.309 -2.904 -9.607 1.00 0.00 C ATOM 1432 O ARG A 127 13.531 -3.745 -9.140 1.00 0.00 O ATOM 1433 CB ARG A 127 14.861 -2.170 -7.141 1.00 0.00 C ATOM 1434 CG ARG A 127 13.449 -1.702 -6.678 1.00 0.00 C ATOM 1435 CD ARG A 127 13.034 -2.137 -5.254 1.00 0.00 C ATOM 1436 NE ARG A 127 12.899 -3.618 -5.100 1.00 0.00 N ATOM 1437 CZ ARG A 127 11.857 -4.358 -5.487 1.00 0.00 C ATOM 1438 NH1 ARG A 127 10.768 -3.863 -6.018 1.00 0.00 N ATOM 1439 NH2 ARG A 127 11.925 -5.648 -5.329 1.00 0.00 N ATOM 0 H ARG A 127 14.419 -0.051 -8.705 1.00 0.00 H new ATOM 0 HA ARG A 127 16.177 -2.458 -8.865 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.976 -3.219 -6.867 1.00 0.00 H new ATOM 0 HB3 ARG A 127 15.605 -1.609 -6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 127 13.411 -0.614 -6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 127 12.711 -2.082 -7.384 1.00 0.00 H new ATOM 0 HD2 ARG A 127 13.773 -1.771 -4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 127 12.085 -1.665 -5.000 1.00 0.00 H new ATOM 0 HE ARG A 127 13.676 -4.109 -4.658 1.00 0.00 H new ATOM 0 HH11 ARG A 127 10.681 -2.856 -6.157 1.00 0.00 H new ATOM 0 HH12 ARG A 127 10.007 -4.484 -6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.759 -6.068 -4.919 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.144 -6.239 -5.615 1.00 0.00 H new ATOM 1453 N SER A 128 14.481 -2.738 -10.937 1.00 0.00 N ATOM 1454 CA SER A 128 13.796 -3.531 -12.005 1.00 0.00 C ATOM 1455 C SER A 128 12.237 -3.345 -12.104 1.00 0.00 C ATOM 1456 O SER A 128 11.580 -3.399 -11.058 1.00 0.00 O ATOM 1457 CB SER A 128 14.170 -5.036 -11.995 1.00 0.00 C ATOM 1458 OG SER A 128 15.576 -5.221 -12.113 1.00 0.00 O ATOM 0 H SER A 128 15.114 -2.034 -11.316 1.00 0.00 H new ATOM 0 HA SER A 128 14.200 -3.085 -12.914 1.00 0.00 H new ATOM 0 HB2 SER A 128 13.817 -5.494 -11.071 1.00 0.00 H new ATOM 0 HB3 SER A 128 13.664 -5.544 -12.816 1.00 0.00 H new ATOM 0 HG SER A 128 15.782 -6.179 -12.102 1.00 0.00 H new ATOM 1464 N PRO A 129 11.580 -3.174 -13.294 1.00 0.00 N ATOM 1465 CA PRO A 129 12.219 -3.211 -14.640 1.00 0.00 C ATOM 1466 C PRO A 129 12.912 -1.893 -15.113 1.00 0.00 C ATOM 1467 O PRO A 129 14.069 -1.958 -15.539 1.00 0.00 O ATOM 1468 CB PRO A 129 11.058 -3.667 -15.550 1.00 0.00 C ATOM 1469 CG PRO A 129 9.784 -3.158 -14.874 1.00 0.00 C ATOM 1470 CD PRO A 129 10.103 -3.233 -13.379 1.00 0.00 C ATOM 0 HA PRO A 129 13.079 -3.880 -14.653 1.00 0.00 H new ATOM 0 HB2 PRO A 129 11.161 -3.255 -16.554 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.042 -4.752 -15.651 1.00 0.00 H new ATOM 0 HG2 PRO A 129 9.549 -2.139 -15.181 1.00 0.00 H new ATOM 0 HG3 PRO A 129 8.923 -3.775 -15.130 1.00 0.00 H new ATOM 0 HD2 PRO A 129 9.644 -2.407 -12.836 1.00 0.00 H new ATOM 0 HD3 PRO A 129 9.720 -4.154 -12.940 1.00 0.00 H new ATOM 1478 N TYR A 130 12.228 -0.730 -15.059 1.00 0.00 N ATOM 1479 CA TYR A 130 12.812 0.582 -15.433 1.00 0.00 C ATOM 1480 C TYR A 130 12.278 1.660 -14.444 1.00 0.00 C ATOM 1481 O TYR A 130 11.375 2.446 -14.748 1.00 0.00 O ATOM 1482 CB TYR A 130 12.654 0.896 -16.949 1.00 0.00 C ATOM 1483 CG TYR A 130 11.244 1.061 -17.558 1.00 0.00 C ATOM 1484 CD1 TYR A 130 10.470 -0.058 -17.878 1.00 0.00 C ATOM 1485 CD2 TYR A 130 10.759 2.339 -17.861 1.00 0.00 C ATOM 1486 CE1 TYR A 130 9.225 0.097 -18.481 1.00 0.00 C ATOM 1487 CE2 TYR A 130 9.518 2.493 -18.472 1.00 0.00 C ATOM 1488 CZ TYR A 130 8.752 1.373 -18.783 1.00 0.00 C ATOM 1489 OH TYR A 130 7.534 1.524 -19.391 1.00 0.00 O ATOM 0 H TYR A 130 11.256 -0.671 -14.756 1.00 0.00 H new ATOM 0 HA TYR A 130 13.896 0.569 -15.320 1.00 0.00 H new ATOM 0 HB2 TYR A 130 13.204 1.816 -17.149 1.00 0.00 H new ATOM 0 HB3 TYR A 130 13.154 0.099 -17.500 1.00 0.00 H new ATOM 0 HD1 TYR A 130 10.840 -1.048 -17.656 1.00 0.00 H new ATOM 0 HD2 TYR A 130 11.351 3.210 -17.619 1.00 0.00 H new ATOM 0 HE1 TYR A 130 8.626 -0.771 -18.715 1.00 0.00 H new ATOM 0 HE2 TYR A 130 9.149 3.481 -18.705 1.00 0.00 H new ATOM 0 HH TYR A 130 6.972 2.120 -18.853 1.00 0.00 H new ATOM 1499 N ILE A 131 12.878 1.660 -13.242 1.00 0.00 N ATOM 1500 CA ILE A 131 12.546 2.603 -12.138 1.00 0.00 C ATOM 1501 C ILE A 131 13.644 3.729 -12.178 1.00 0.00 C ATOM 1502 O ILE A 131 14.823 3.391 -12.010 1.00 0.00 O ATOM 1503 CB ILE A 131 12.467 1.818 -10.780 1.00 0.00 C ATOM 1504 CG1 ILE A 131 11.270 0.820 -10.728 1.00 0.00 C ATOM 1505 CG2 ILE A 131 12.402 2.747 -9.537 1.00 0.00 C ATOM 1506 CD1 ILE A 131 11.445 -0.348 -9.751 1.00 0.00 C ATOM 0 H ILE A 131 13.617 1.001 -12.997 1.00 0.00 H new ATOM 0 HA ILE A 131 11.568 3.072 -12.248 1.00 0.00 H new ATOM 0 HB ILE A 131 13.400 1.255 -10.742 1.00 0.00 H new ATOM 0 HG12 ILE A 131 10.369 1.370 -10.456 1.00 0.00 H new ATOM 0 HG13 ILE A 131 11.108 0.417 -11.728 1.00 0.00 H new ATOM 0 HG21 ILE A 131 12.349 2.141 -8.632 1.00 0.00 H new ATOM 0 HG22 ILE A 131 13.294 3.372 -9.503 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.517 3.380 -9.602 1.00 0.00 H new ATOM 0 HD11 ILE A 131 10.562 -0.987 -9.786 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.324 -0.928 -10.031 1.00 0.00 H new ATOM 0 HD13 ILE A 131 11.573 0.039 -8.740 1.00 0.00 H new ATOM 1518 N PRO A 132 13.337 5.048 -12.359 1.00 0.00 N ATOM 1519 CA PRO A 132 14.375 6.112 -12.442 1.00 0.00 C ATOM 1520 C PRO A 132 15.044 6.473 -11.067 1.00 0.00 C ATOM 1521 O PRO A 132 14.329 6.477 -10.056 1.00 0.00 O ATOM 1522 CB PRO A 132 13.588 7.292 -13.048 1.00 0.00 C ATOM 1523 CG PRO A 132 12.129 7.069 -12.642 1.00 0.00 C ATOM 1524 CD PRO A 132 11.973 5.550 -12.622 1.00 0.00 C ATOM 0 HA PRO A 132 15.236 5.803 -13.035 1.00 0.00 H new ATOM 0 HB2 PRO A 132 13.958 8.245 -12.670 1.00 0.00 H new ATOM 0 HB3 PRO A 132 13.693 7.317 -14.133 1.00 0.00 H new ATOM 0 HG2 PRO A 132 11.917 7.504 -11.665 1.00 0.00 H new ATOM 0 HG3 PRO A 132 11.443 7.530 -13.352 1.00 0.00 H new ATOM 0 HD2 PRO A 132 11.275 5.232 -11.847 1.00 0.00 H new ATOM 0 HD3 PRO A 132 11.588 5.177 -13.571 1.00 0.00 H new ATOM 1532 N PRO A 133 16.369 6.806 -10.969 1.00 0.00 N ATOM 1533 CA PRO A 133 17.020 7.173 -9.685 1.00 0.00 C ATOM 1534 C PRO A 133 16.571 8.561 -9.151 1.00 0.00 C ATOM 1535 O PRO A 133 16.726 9.578 -9.838 1.00 0.00 O ATOM 1536 CB PRO A 133 18.524 7.144 -10.032 1.00 0.00 C ATOM 1537 CG PRO A 133 18.604 7.377 -11.541 1.00 0.00 C ATOM 1538 CD PRO A 133 17.320 6.760 -12.099 1.00 0.00 C ATOM 0 HA PRO A 133 16.752 6.492 -8.877 1.00 0.00 H new ATOM 0 HB2 PRO A 133 19.067 7.916 -9.487 1.00 0.00 H new ATOM 0 HB3 PRO A 133 18.971 6.188 -9.759 1.00 0.00 H new ATOM 0 HG2 PRO A 133 18.666 8.440 -11.775 1.00 0.00 H new ATOM 0 HG3 PRO A 133 19.488 6.904 -11.968 1.00 0.00 H new ATOM 0 HD2 PRO A 133 16.948 7.323 -12.955 1.00 0.00 H new ATOM 0 HD3 PRO A 133 17.485 5.737 -12.438 1.00 0.00 H new ATOM 1546 N HIS A 134 16.023 8.576 -7.920 1.00 0.00 N ATOM 1547 CA HIS A 134 15.580 9.813 -7.206 1.00 0.00 C ATOM 1548 C HIS A 134 14.622 10.752 -8.013 1.00 0.00 C ATOM 1549 O HIS A 134 15.002 11.855 -8.416 1.00 0.00 O ATOM 1550 CB HIS A 134 16.735 10.523 -6.431 1.00 0.00 C ATOM 1551 CG HIS A 134 17.954 11.018 -7.223 1.00 0.00 C ATOM 1552 ND1 HIS A 134 18.041 12.233 -7.876 1.00 0.00 N ATOM 1553 CD2 HIS A 134 19.140 10.284 -7.427 1.00 0.00 C ATOM 1554 CE1 HIS A 134 19.279 12.109 -8.447 1.00 0.00 C ATOM 1555 NE2 HIS A 134 20.027 10.977 -8.239 1.00 0.00 N ATOM 0 H HIS A 134 15.869 7.725 -7.378 1.00 0.00 H new ATOM 0 HA HIS A 134 14.912 9.455 -6.423 1.00 0.00 H new ATOM 0 HB2 HIS A 134 16.307 11.380 -5.911 1.00 0.00 H new ATOM 0 HB3 HIS A 134 17.094 9.834 -5.667 1.00 0.00 H new ATOM 0 HD2 HIS A 134 19.333 9.308 -7.006 1.00 0.00 H new ATOM 0 HE1 HIS A 134 19.669 12.905 -9.064 1.00 0.00 H new ATOM 0 HE2 HIS A 134 20.954 10.722 -8.579 1.00 0.00 H new ATOM 1563 N ALA A 135 13.388 10.275 -8.269 1.00 0.00 N ATOM 1564 CA ALA A 135 12.377 11.007 -9.073 1.00 0.00 C ATOM 1565 C ALA A 135 10.973 10.585 -8.569 1.00 0.00 C ATOM 1566 O ALA A 135 10.542 9.446 -8.788 1.00 0.00 O ATOM 1567 CB ALA A 135 12.571 10.708 -10.574 1.00 0.00 C ATOM 0 H ALA A 135 13.060 9.372 -7.926 1.00 0.00 H new ATOM 0 HA ALA A 135 12.488 12.085 -8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 135 11.824 11.251 -11.153 1.00 0.00 H new ATOM 0 HB2 ALA A 135 13.568 11.024 -10.882 1.00 0.00 H new ATOM 0 HB3 ALA A 135 12.459 9.638 -10.749 1.00 0.00 H new ATOM 1573 N ALA A 136 10.279 11.506 -7.866 1.00 0.00 N ATOM 1574 CA ALA A 136 9.049 11.190 -7.090 1.00 0.00 C ATOM 1575 C ALA A 136 7.860 10.675 -7.953 1.00 0.00 C ATOM 1576 O ALA A 136 7.501 11.275 -8.972 1.00 0.00 O ATOM 1577 CB ALA A 136 8.652 12.438 -6.286 1.00 0.00 C ATOM 0 H ALA A 136 10.550 12.488 -7.817 1.00 0.00 H new ATOM 0 HA ALA A 136 9.284 10.357 -6.427 1.00 0.00 H new ATOM 0 HB1 ALA A 136 7.751 12.228 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 136 9.462 12.707 -5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 136 8.460 13.265 -6.969 1.00 0.00 H new ATOM 1583 N LEU A 137 7.323 9.509 -7.554 1.00 0.00 N ATOM 1584 CA LEU A 137 6.584 8.603 -8.469 1.00 0.00 C ATOM 1585 C LEU A 137 5.067 8.554 -8.114 1.00 0.00 C ATOM 1586 O LEU A 137 4.683 8.263 -6.976 1.00 0.00 O ATOM 1587 CB LEU A 137 7.270 7.201 -8.383 1.00 0.00 C ATOM 1588 CG LEU A 137 7.146 6.295 -9.637 1.00 0.00 C ATOM 1589 CD1 LEU A 137 8.005 6.801 -10.817 1.00 0.00 C ATOM 1590 CD2 LEU A 137 7.539 4.844 -9.309 1.00 0.00 C ATOM 0 H LEU A 137 7.385 9.164 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 137 6.626 8.966 -9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 137 8.329 7.351 -8.173 1.00 0.00 H new ATOM 0 HB3 LEU A 137 6.849 6.666 -7.532 1.00 0.00 H new ATOM 0 HG LEU A 137 6.099 6.332 -9.939 1.00 0.00 H new ATOM 0 HD11 LEU A 137 7.883 6.132 -11.669 1.00 0.00 H new ATOM 0 HD12 LEU A 137 7.686 7.805 -11.095 1.00 0.00 H new ATOM 0 HD13 LEU A 137 9.054 6.823 -10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 137 7.443 4.230 -10.204 1.00 0.00 H new ATOM 0 HD22 LEU A 137 8.571 4.817 -8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 137 6.881 4.456 -8.531 1.00 0.00 H new ATOM 1602 N CYS A 138 4.219 8.802 -9.129 1.00 0.00 N ATOM 1603 CA CYS A 138 2.745 8.614 -9.052 1.00 0.00 C ATOM 1604 C CYS A 138 2.296 7.127 -9.100 1.00 0.00 C ATOM 1605 O CYS A 138 2.953 6.276 -9.705 1.00 0.00 O ATOM 1606 CB CYS A 138 2.085 9.388 -10.221 1.00 0.00 C ATOM 1607 SG CYS A 138 2.010 11.174 -9.873 1.00 0.00 S ATOM 0 H CYS A 138 4.534 9.142 -10.038 1.00 0.00 H new ATOM 0 HA CYS A 138 2.426 8.997 -8.083 1.00 0.00 H new ATOM 0 HB2 CYS A 138 2.650 9.217 -11.138 1.00 0.00 H new ATOM 0 HB3 CYS A 138 1.078 9.006 -10.391 1.00 0.00 H new ATOM 0 HG CYS A 138 1.453 11.788 -10.874 1.00 0.00 H new ATOM 1613 N LEU A 139 1.135 6.840 -8.480 1.00 0.00 N ATOM 1614 CA LEU A 139 0.425 5.550 -8.649 1.00 0.00 C ATOM 1615 C LEU A 139 -1.083 5.733 -8.334 1.00 0.00 C ATOM 1616 O LEU A 139 -1.450 5.974 -7.181 1.00 0.00 O ATOM 1617 CB LEU A 139 1.073 4.370 -7.870 1.00 0.00 C ATOM 1618 CG LEU A 139 1.307 4.472 -6.329 1.00 0.00 C ATOM 1619 CD1 LEU A 139 1.139 3.118 -5.616 1.00 0.00 C ATOM 1620 CD2 LEU A 139 2.693 5.056 -5.982 1.00 0.00 C ATOM 0 H LEU A 139 0.662 7.489 -7.851 1.00 0.00 H new ATOM 0 HA LEU A 139 0.523 5.257 -9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.453 3.490 -8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 139 2.041 4.174 -8.330 1.00 0.00 H new ATOM 0 HG LEU A 139 0.537 5.155 -5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.312 3.245 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.128 2.745 -5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.858 2.404 -6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.806 5.106 -4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.472 4.417 -6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.781 6.058 -6.403 1.00 0.00 H new ATOM 1632 N GLU A 140 -1.961 5.587 -9.353 1.00 0.00 N ATOM 1633 CA GLU A 140 -3.437 5.612 -9.151 1.00 0.00 C ATOM 1634 C GLU A 140 -3.979 4.206 -8.735 1.00 0.00 C ATOM 1635 O GLU A 140 -3.947 3.235 -9.501 1.00 0.00 O ATOM 1636 CB GLU A 140 -4.197 6.281 -10.330 1.00 0.00 C ATOM 1637 CG GLU A 140 -4.198 5.569 -11.705 1.00 0.00 C ATOM 1638 CD GLU A 140 -5.030 6.270 -12.768 1.00 0.00 C ATOM 1639 OE1 GLU A 140 -6.272 6.134 -12.744 1.00 0.00 O ATOM 1640 OE2 GLU A 140 -4.443 6.945 -13.639 1.00 0.00 O ATOM 0 H GLU A 140 -1.678 5.451 -10.323 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.646 6.266 -8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -5.235 6.413 -10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -3.778 7.277 -10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.171 5.486 -12.060 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.574 4.554 -11.576 1.00 0.00 H new ATOM 1647 N VAL A 141 -4.447 4.132 -7.479 1.00 0.00 N ATOM 1648 CA VAL A 141 -4.888 2.870 -6.828 1.00 0.00 C ATOM 1649 C VAL A 141 -6.444 2.893 -6.861 1.00 0.00 C ATOM 1650 O VAL A 141 -7.073 3.655 -6.118 1.00 0.00 O ATOM 1651 CB VAL A 141 -4.306 2.772 -5.374 1.00 0.00 C ATOM 1652 CG1 VAL A 141 -4.726 1.471 -4.650 1.00 0.00 C ATOM 1653 CG2 VAL A 141 -2.763 2.875 -5.292 1.00 0.00 C ATOM 0 H VAL A 141 -4.534 4.949 -6.874 1.00 0.00 H new ATOM 0 HA VAL A 141 -4.520 1.984 -7.345 1.00 0.00 H new ATOM 0 HB VAL A 141 -4.738 3.641 -4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -4.295 1.456 -3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -5.813 1.429 -4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -4.366 0.609 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -2.448 2.798 -4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -2.313 2.067 -5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -2.440 3.834 -5.698 1.00 0.00 H new ATOM 1663 N THR A 142 -7.042 2.048 -7.722 1.00 0.00 N ATOM 1664 CA THR A 142 -8.523 1.935 -7.847 1.00 0.00 C ATOM 1665 C THR A 142 -8.963 0.596 -7.190 1.00 0.00 C ATOM 1666 O THR A 142 -8.596 -0.478 -7.668 1.00 0.00 O ATOM 1667 CB THR A 142 -8.963 2.102 -9.334 1.00 0.00 C ATOM 1668 OG1 THR A 142 -8.583 3.393 -9.798 1.00 0.00 O ATOM 1669 CG2 THR A 142 -10.478 1.961 -9.568 1.00 0.00 C ATOM 0 H THR A 142 -6.527 1.428 -8.347 1.00 0.00 H new ATOM 0 HA THR A 142 -9.032 2.740 -7.316 1.00 0.00 H new ATOM 0 HB THR A 142 -8.468 1.296 -9.875 1.00 0.00 H new ATOM 0 HG1 THR A 142 -9.361 3.989 -9.780 1.00 0.00 H new ATOM 0 HG21 THR A 142 -10.696 2.091 -10.628 1.00 0.00 H new ATOM 0 HG22 THR A 142 -10.805 0.971 -9.249 1.00 0.00 H new ATOM 0 HG23 THR A 142 -11.007 2.721 -8.993 1.00 0.00 H new ATOM 1677 N LEU A 143 -9.785 0.667 -6.122 1.00 0.00 N ATOM 1678 CA LEU A 143 -10.292 -0.536 -5.401 1.00 0.00 C ATOM 1679 C LEU A 143 -11.355 -1.276 -6.266 1.00 0.00 C ATOM 1680 O LEU A 143 -12.472 -0.785 -6.461 1.00 0.00 O ATOM 1681 CB LEU A 143 -10.823 -0.099 -3.999 1.00 0.00 C ATOM 1682 CG LEU A 143 -11.100 -1.168 -2.897 1.00 0.00 C ATOM 1683 CD1 LEU A 143 -12.143 -2.243 -3.264 1.00 0.00 C ATOM 1684 CD2 LEU A 143 -9.825 -1.836 -2.350 1.00 0.00 C ATOM 0 H LEU A 143 -10.118 1.549 -5.732 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.490 -1.255 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -10.105 0.610 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -11.753 0.447 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 143 -11.544 -0.567 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -12.260 -2.936 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -13.099 -1.765 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -11.807 -2.790 -4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -10.095 -2.567 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -9.299 -2.337 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -9.177 -1.078 -1.911 1.00 0.00 H new ATOM 1696 N LYS A 144 -10.970 -2.466 -6.764 1.00 0.00 N ATOM 1697 CA LYS A 144 -11.858 -3.343 -7.577 1.00 0.00 C ATOM 1698 C LYS A 144 -12.875 -4.141 -6.699 1.00 0.00 C ATOM 1699 O LYS A 144 -14.076 -3.867 -6.795 1.00 0.00 O ATOM 1700 CB LYS A 144 -10.994 -4.243 -8.514 1.00 0.00 C ATOM 1701 CG LYS A 144 -10.307 -3.518 -9.697 1.00 0.00 C ATOM 1702 CD LYS A 144 -9.517 -4.466 -10.640 1.00 0.00 C ATOM 1703 CE LYS A 144 -9.771 -4.190 -12.137 1.00 0.00 C ATOM 1704 NZ LYS A 144 -8.880 -5.005 -13.009 1.00 0.00 N ATOM 0 H LYS A 144 -10.038 -2.853 -6.619 1.00 0.00 H new ATOM 0 HA LYS A 144 -12.484 -2.717 -8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -10.225 -4.728 -7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -11.629 -5.032 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -11.065 -2.992 -10.278 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -9.627 -2.763 -9.303 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -8.451 -4.365 -10.435 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -9.788 -5.498 -10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -10.812 -4.409 -12.375 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -9.612 -3.132 -12.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -9.069 -4.779 -14.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -7.887 -4.790 -12.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -9.061 -6.015 -12.843 1.00 0.00 H new ATOM 1718 N THR A 145 -12.415 -5.119 -5.887 1.00 0.00 N ATOM 1719 CA THR A 145 -13.316 -5.998 -5.083 1.00 0.00 C ATOM 1720 C THR A 145 -12.678 -6.272 -3.691 1.00 0.00 C ATOM 1721 O THR A 145 -11.518 -6.685 -3.595 1.00 0.00 O ATOM 1722 CB THR A 145 -13.674 -7.345 -5.787 1.00 0.00 C ATOM 1723 OG1 THR A 145 -12.512 -8.133 -6.038 1.00 0.00 O ATOM 1724 CG2 THR A 145 -14.461 -7.212 -7.102 1.00 0.00 C ATOM 0 H THR A 145 -11.424 -5.326 -5.766 1.00 0.00 H new ATOM 0 HA THR A 145 -14.256 -5.458 -4.970 1.00 0.00 H new ATOM 0 HB THR A 145 -14.332 -7.835 -5.070 1.00 0.00 H new ATOM 0 HG1 THR A 145 -12.773 -8.969 -6.478 1.00 0.00 H new ATOM 0 HG21 THR A 145 -14.659 -8.203 -7.510 1.00 0.00 H new ATOM 0 HG22 THR A 145 -15.406 -6.703 -6.911 1.00 0.00 H new ATOM 0 HG23 THR A 145 -13.877 -6.635 -7.819 1.00 0.00 H new ATOM 1732 N ALA A 146 -13.479 -6.100 -2.623 1.00 0.00 N ATOM 1733 CA ALA A 146 -13.090 -6.497 -1.245 1.00 0.00 C ATOM 1734 C ALA A 146 -13.754 -7.859 -0.914 1.00 0.00 C ATOM 1735 O ALA A 146 -14.979 -7.944 -0.774 1.00 0.00 O ATOM 1736 CB ALA A 146 -13.508 -5.395 -0.254 1.00 0.00 C ATOM 0 H ALA A 146 -14.409 -5.685 -2.683 1.00 0.00 H new ATOM 0 HA ALA A 146 -12.009 -6.615 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -13.222 -5.687 0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -13.010 -4.462 -0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -14.588 -5.255 -0.300 1.00 0.00 H new ATOM 1742 N VAL A 147 -12.931 -8.922 -0.835 1.00 0.00 N ATOM 1743 CA VAL A 147 -13.416 -10.326 -0.672 1.00 0.00 C ATOM 1744 C VAL A 147 -12.710 -11.010 0.534 1.00 0.00 C ATOM 1745 O VAL A 147 -11.574 -10.684 0.886 1.00 0.00 O ATOM 1746 CB VAL A 147 -13.283 -11.172 -1.991 1.00 0.00 C ATOM 1747 CG1 VAL A 147 -14.241 -10.690 -3.102 1.00 0.00 C ATOM 1748 CG2 VAL A 147 -11.848 -11.324 -2.552 1.00 0.00 C ATOM 0 H VAL A 147 -11.915 -8.844 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 147 -14.484 -10.279 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 147 -13.578 -12.171 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -14.108 -11.308 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -15.271 -10.771 -2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -14.021 -9.651 -3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -11.874 -11.925 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -11.440 -10.339 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -11.218 -11.815 -1.811 1.00 0.00 H new ATOM 1758 N ASP A 148 -13.379 -12.020 1.120 1.00 0.00 N ATOM 1759 CA ASP A 148 -12.811 -12.884 2.196 1.00 0.00 C ATOM 1760 C ASP A 148 -11.552 -13.705 1.751 1.00 0.00 C ATOM 1761 O ASP A 148 -11.441 -14.142 0.599 1.00 0.00 O ATOM 1762 CB ASP A 148 -13.937 -13.833 2.692 1.00 0.00 C ATOM 1763 CG ASP A 148 -15.098 -13.149 3.414 1.00 0.00 C ATOM 1764 OD1 ASP A 148 -15.001 -12.937 4.641 1.00 0.00 O ATOM 1765 OD2 ASP A 148 -16.104 -12.817 2.751 1.00 0.00 O ATOM 0 H ASP A 148 -14.335 -12.269 0.866 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.458 -12.235 2.997 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -14.334 -14.378 1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -13.498 -14.571 3.363 1.00 0.00 H new ATOM 1770 N GLY A 149 -10.609 -13.901 2.694 1.00 0.00 N ATOM 1771 CA GLY A 149 -9.323 -14.584 2.420 1.00 0.00 C ATOM 1772 C GLY A 149 -9.444 -16.115 2.166 1.00 0.00 C ATOM 1773 O GLY A 149 -9.854 -16.808 3.102 1.00 0.00 O ATOM 0 H GLY A 149 -10.713 -13.594 3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -8.858 -14.120 1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -8.653 -14.421 3.264 1.00 0.00 H new