USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 634 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 36 HIS : no HD1:sc= -6.07! C(o=-9.3!,f=-10!) USER MOD Set 1.2: A 92 GLN : amide:sc= -3.27 X(o=-9.3,f=-9.3) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -2.17 K(o=-2.2,f=-1.2) USER MOD Single : A 21 MET CE :methyl -151:sc= -7.02! (180deg=-10.4!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -157:sc= -8.63! (180deg=-9.77!) USER MOD Single : A 27 SER OG : rot -92:sc= 0.867 USER MOD Single : A 37 ASN : amide:sc= -1.75! K(o=-1.7!,f=0.14) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.97 K(o=-2,f=-4.5!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 31:sc= 1.02 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -0.942 (180deg=-1.76!) USER MOD Single : A 55 THR OG1 : rot -94:sc= 1.17 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 30:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -2.09 K(o=-2.1,f=-4.4!) USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= -0.0182 (180deg=-0.257) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 116:sc= 1.19 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.11) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -96:sc=-0.00653 (180deg=-1.14) USER MOD Single : A 81 TYR OH : rot 30:sc= -3.86! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.232 USER MOD Single : A 94 SER OG : rot 79:sc= 0.59 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 14 -1.064 1.250 -2.501 1.00 0.00 N ATOM 2 CA GLU A 14 0.159 0.755 -3.110 1.00 0.00 C ATOM 3 C GLU A 14 -0.024 -0.692 -3.570 1.00 0.00 C ATOM 4 O GLU A 14 -0.710 -1.474 -2.913 1.00 0.00 O ATOM 5 CB GLU A 14 1.340 0.879 -2.145 1.00 0.00 C ATOM 6 CG GLU A 14 2.671 0.833 -2.899 1.00 0.00 C ATOM 7 CD GLU A 14 2.910 2.135 -3.668 1.00 0.00 C ATOM 8 OE1 GLU A 14 1.962 2.897 -3.906 1.00 0.00 O ATOM 9 OE2 GLU A 14 4.133 2.342 -4.021 1.00 0.00 O ATOM 0 HA GLU A 14 0.380 1.367 -3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.264 1.814 -1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.304 0.071 -1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.486 0.667 -2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.672 -0.008 -3.592 1.00 0.00 H new ATOM 17 N ASP A 15 0.601 -1.006 -4.695 1.00 0.00 N ATOM 18 CA ASP A 15 0.515 -2.345 -5.251 1.00 0.00 C ATOM 19 C ASP A 15 1.915 -2.960 -5.307 1.00 0.00 C ATOM 20 O ASP A 15 2.901 -2.250 -5.498 1.00 0.00 O ATOM 21 CB ASP A 15 -0.046 -2.317 -6.674 1.00 0.00 C ATOM 22 CG ASP A 15 -0.659 -3.634 -7.154 1.00 0.00 C ATOM 23 OD1 ASP A 15 -0.258 -4.722 -6.715 1.00 0.00 O ATOM 24 OD2 ASP A 15 -1.598 -3.511 -8.030 1.00 0.00 O ATOM 0 H ASP A 15 1.170 -0.355 -5.237 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.147 -2.932 -4.614 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.805 -1.537 -6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.754 -2.036 -7.358 1.00 0.00 H new ATOM 30 N GLN A 16 1.957 -4.274 -5.138 1.00 0.00 N ATOM 31 CA GLN A 16 3.220 -4.992 -5.167 1.00 0.00 C ATOM 32 C GLN A 16 3.739 -5.095 -6.603 1.00 0.00 C ATOM 33 O GLN A 16 4.947 -5.080 -6.832 1.00 0.00 O ATOM 34 CB GLN A 16 3.077 -6.378 -4.535 1.00 0.00 C ATOM 35 CG GLN A 16 3.153 -6.295 -3.009 1.00 0.00 C ATOM 36 CD GLN A 16 3.480 -7.661 -2.402 1.00 0.00 C ATOM 37 OE1 GLN A 16 4.575 -7.912 -1.926 1.00 0.00 O ATOM 38 NE2 GLN A 16 2.472 -8.527 -2.445 1.00 0.00 N ATOM 0 H GLN A 16 1.137 -4.860 -4.981 1.00 0.00 H new ATOM 0 HA GLN A 16 3.947 -4.433 -4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.126 -6.821 -4.832 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.864 -7.034 -4.907 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.915 -5.572 -2.718 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.204 -5.935 -2.613 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.581 -8.252 -2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.590 -9.466 -2.065 1.00 0.00 H new ATOM 47 N GLU A 17 2.800 -5.196 -7.532 1.00 0.00 N ATOM 48 CA GLU A 17 3.147 -5.302 -8.939 1.00 0.00 C ATOM 49 C GLU A 17 3.689 -3.966 -9.453 1.00 0.00 C ATOM 50 O GLU A 17 4.727 -3.926 -10.113 1.00 0.00 O ATOM 51 CB GLU A 17 1.946 -5.762 -9.767 1.00 0.00 C ATOM 52 CG GLU A 17 1.524 -7.180 -9.380 1.00 0.00 C ATOM 53 CD GLU A 17 2.725 -8.127 -9.372 1.00 0.00 C ATOM 54 OE1 GLU A 17 3.342 -8.338 -8.317 1.00 0.00 O ATOM 55 OE2 GLU A 17 3.011 -8.654 -10.515 1.00 0.00 O ATOM 0 H GLU A 17 1.799 -5.207 -7.338 1.00 0.00 H new ATOM 0 HA GLU A 17 3.928 -6.054 -9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.112 -5.077 -9.616 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.197 -5.730 -10.827 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.059 -7.168 -8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.774 -7.544 -10.082 1.00 0.00 H new ATOM 63 N GLN A 18 2.963 -2.906 -9.131 1.00 0.00 N ATOM 64 CA GLN A 18 3.357 -1.573 -9.553 1.00 0.00 C ATOM 65 C GLN A 18 4.718 -1.208 -8.955 1.00 0.00 C ATOM 66 O GLN A 18 5.486 -0.463 -9.561 1.00 0.00 O ATOM 67 CB GLN A 18 2.296 -0.540 -9.169 1.00 0.00 C ATOM 68 CG GLN A 18 2.599 0.077 -7.802 1.00 0.00 C ATOM 69 CD GLN A 18 1.517 1.082 -7.402 1.00 0.00 C ATOM 70 OE1 GLN A 18 0.432 1.119 -7.958 1.00 0.00 O ATOM 71 NE2 GLN A 18 1.872 1.892 -6.408 1.00 0.00 N ATOM 0 H GLN A 18 2.104 -2.943 -8.583 1.00 0.00 H new ATOM 0 HA GLN A 18 3.445 -1.568 -10.639 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.257 0.244 -9.925 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.314 -1.013 -9.149 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.665 -0.710 -7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.569 0.573 -7.830 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.797 1.807 -5.987 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.219 2.598 -6.067 1.00 0.00 H new ATOM 80 N TRP A 19 4.974 -1.751 -7.774 1.00 0.00 N ATOM 81 CA TRP A 19 6.229 -1.493 -7.088 1.00 0.00 C ATOM 82 C TRP A 19 7.355 -2.125 -7.908 1.00 0.00 C ATOM 83 O TRP A 19 8.440 -1.556 -8.022 1.00 0.00 O ATOM 84 CB TRP A 19 6.180 -2.003 -5.646 1.00 0.00 C ATOM 85 CG TRP A 19 7.399 -1.613 -4.807 1.00 0.00 C ATOM 86 CD1 TRP A 19 7.907 -0.389 -4.608 1.00 0.00 C ATOM 87 CD2 TRP A 19 8.248 -2.507 -4.057 1.00 0.00 C ATOM 88 NE1 TRP A 19 9.016 -0.429 -3.789 1.00 0.00 N ATOM 89 CE2 TRP A 19 9.230 -1.758 -3.443 1.00 0.00 C ATOM 90 CE3 TRP A 19 8.188 -3.904 -3.903 1.00 0.00 C ATOM 91 CZ2 TRP A 19 10.226 -2.316 -2.633 1.00 0.00 C ATOM 92 CZ3 TRP A 19 9.191 -4.446 -3.091 1.00 0.00 C ATOM 93 CH2 TRP A 19 10.186 -3.705 -2.465 1.00 0.00 C ATOM 0 H TRP A 19 4.334 -2.368 -7.275 1.00 0.00 H new ATOM 0 HA TRP A 19 6.414 -0.422 -7.012 1.00 0.00 H new ATOM 0 HB2 TRP A 19 5.282 -1.616 -5.165 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.093 -3.089 -5.658 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.499 0.515 -5.035 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.576 0.370 -3.492 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.428 -4.510 -4.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 10.984 -1.708 -2.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 9.192 -5.515 -2.940 1.00 0.00 H new ATOM 0 HH2 TRP A 19 10.925 -4.199 -1.852 1.00 0.00 H new ATOM 104 N ALA A 20 7.059 -3.294 -8.458 1.00 0.00 N ATOM 105 CA ALA A 20 8.034 -4.009 -9.264 1.00 0.00 C ATOM 106 C ALA A 20 8.383 -3.172 -10.496 1.00 0.00 C ATOM 107 O ALA A 20 9.486 -3.280 -11.032 1.00 0.00 O ATOM 108 CB ALA A 20 7.478 -5.386 -9.633 1.00 0.00 C ATOM 0 H ALA A 20 6.159 -3.763 -8.361 1.00 0.00 H new ATOM 0 HA ALA A 20 8.955 -4.168 -8.702 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.209 -5.923 -10.238 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.273 -5.951 -8.724 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.555 -5.266 -10.201 1.00 0.00 H new ATOM 114 N MET A 21 7.424 -2.358 -10.910 1.00 0.00 N ATOM 115 CA MET A 21 7.617 -1.503 -12.070 1.00 0.00 C ATOM 116 C MET A 21 8.816 -0.573 -11.872 1.00 0.00 C ATOM 117 O MET A 21 9.297 0.036 -12.826 1.00 0.00 O ATOM 118 CB MET A 21 6.356 -0.668 -12.304 1.00 0.00 C ATOM 119 CG MET A 21 5.939 -0.706 -13.775 1.00 0.00 C ATOM 120 SD MET A 21 4.161 -0.783 -13.904 1.00 0.00 S ATOM 121 CE MET A 21 3.768 0.956 -13.822 1.00 0.00 C ATOM 0 H MET A 21 6.511 -2.272 -10.464 1.00 0.00 H new ATOM 0 HA MET A 21 7.811 -2.135 -12.936 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.544 -1.046 -11.682 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.537 0.363 -12.000 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.311 0.180 -14.290 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.385 -1.571 -14.266 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.779 1.085 -13.383 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.508 1.468 -13.207 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.777 1.379 -14.827 1.00 0.00 H new ATOM 131 N GLN A 22 9.263 -0.493 -10.627 1.00 0.00 N ATOM 132 CA GLN A 22 10.396 0.353 -10.292 1.00 0.00 C ATOM 133 C GLN A 22 11.452 0.287 -11.397 1.00 0.00 C ATOM 134 O GLN A 22 11.491 1.147 -12.275 1.00 0.00 O ATOM 135 CB GLN A 22 10.992 -0.041 -8.939 1.00 0.00 C ATOM 136 CG GLN A 22 12.260 0.764 -8.644 1.00 0.00 C ATOM 137 CD GLN A 22 12.572 0.764 -7.146 1.00 0.00 C ATOM 138 OE1 GLN A 22 13.389 0.002 -6.656 1.00 0.00 O ATOM 139 NE2 GLN A 22 11.879 1.660 -6.449 1.00 0.00 N ATOM 0 H GLN A 22 8.861 -1.000 -9.838 1.00 0.00 H new ATOM 0 HA GLN A 22 10.046 1.382 -10.212 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.258 0.128 -8.151 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.224 -1.106 -8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.100 0.341 -9.194 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.134 1.789 -8.993 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.210 2.268 -6.922 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.016 1.739 -5.441 1.00 0.00 H new ATOM 148 N THR A 23 12.283 -0.742 -11.317 1.00 0.00 N ATOM 149 CA THR A 23 13.336 -0.932 -12.299 1.00 0.00 C ATOM 150 C THR A 23 12.739 -1.084 -13.700 1.00 0.00 C ATOM 151 O THR A 23 13.086 -0.335 -14.611 1.00 0.00 O ATOM 152 CB THR A 23 14.178 -2.133 -11.864 1.00 0.00 C ATOM 153 OG1 THR A 23 14.619 -1.791 -10.553 1.00 0.00 O ATOM 154 CG2 THR A 23 15.472 -2.264 -12.670 1.00 0.00 C ATOM 0 H THR A 23 12.248 -1.453 -10.587 1.00 0.00 H new ATOM 0 HA THR A 23 13.989 -0.061 -12.351 1.00 0.00 H new ATOM 0 HB THR A 23 13.591 -3.045 -11.970 1.00 0.00 H new ATOM 0 HG1 THR A 23 15.171 -2.517 -10.194 1.00 0.00 H new ATOM 0 HG21 THR A 23 16.032 -3.132 -12.321 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.232 -2.388 -13.726 1.00 0.00 H new ATOM 0 HG23 THR A 23 16.075 -1.366 -12.538 1.00 0.00 H new ATOM 162 N LEU A 24 11.851 -2.059 -13.826 1.00 0.00 N ATOM 163 CA LEU A 24 11.202 -2.319 -15.100 1.00 0.00 C ATOM 164 C LEU A 24 11.046 -1.004 -15.866 1.00 0.00 C ATOM 165 O LEU A 24 11.714 -0.787 -16.876 1.00 0.00 O ATOM 166 CB LEU A 24 9.884 -3.067 -14.887 1.00 0.00 C ATOM 167 CG LEU A 24 8.932 -3.102 -16.084 1.00 0.00 C ATOM 168 CD1 LEU A 24 7.964 -4.283 -15.980 1.00 0.00 C ATOM 169 CD2 LEU A 24 8.196 -1.770 -16.240 1.00 0.00 C ATOM 0 H LEU A 24 11.566 -2.678 -13.067 1.00 0.00 H new ATOM 0 HA LEU A 24 11.818 -2.975 -15.715 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.114 -4.093 -14.601 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.362 -2.611 -14.046 1.00 0.00 H new ATOM 0 HG LEU A 24 9.525 -3.249 -16.987 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.298 -4.285 -16.843 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.529 -5.215 -15.955 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.375 -4.191 -15.068 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.526 -1.823 -17.098 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.617 -1.567 -15.339 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.920 -0.970 -16.394 1.00 0.00 H new ATOM 181 N MET A 25 10.160 -0.161 -15.357 1.00 0.00 N ATOM 182 CA MET A 25 9.908 1.127 -15.981 1.00 0.00 C ATOM 183 C MET A 25 11.064 2.096 -15.725 1.00 0.00 C ATOM 184 O MET A 25 11.258 3.049 -16.477 1.00 0.00 O ATOM 185 CB MET A 25 8.612 1.720 -15.423 1.00 0.00 C ATOM 186 CG MET A 25 8.879 2.514 -14.143 1.00 0.00 C ATOM 187 SD MET A 25 9.289 4.203 -14.546 1.00 0.00 S ATOM 188 CE MET A 25 7.693 4.787 -15.093 1.00 0.00 C ATOM 0 H MET A 25 9.608 -0.345 -14.519 1.00 0.00 H new ATOM 0 HA MET A 25 9.816 0.977 -17.057 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.154 2.369 -16.169 1.00 0.00 H new ATOM 0 HB3 MET A 25 7.901 0.920 -15.217 1.00 0.00 H new ATOM 0 HG2 MET A 25 8.000 2.488 -13.499 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.696 2.056 -13.585 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.825 5.650 -15.746 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.183 3.993 -15.639 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.095 5.075 -14.228 1.00 0.00 H new ATOM 198 N GLY A 26 11.802 1.818 -14.660 1.00 0.00 N ATOM 199 CA GLY A 26 12.934 2.652 -14.296 1.00 0.00 C ATOM 200 C GLY A 26 14.049 2.550 -15.338 1.00 0.00 C ATOM 201 O GLY A 26 15.021 3.303 -15.289 1.00 0.00 O ATOM 0 H GLY A 26 11.638 1.027 -14.038 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.611 3.689 -14.204 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.314 2.349 -13.321 1.00 0.00 H new ATOM 205 N SER A 27 13.872 1.612 -16.257 1.00 0.00 N ATOM 206 CA SER A 27 14.851 1.401 -17.310 1.00 0.00 C ATOM 207 C SER A 27 14.957 2.653 -18.184 1.00 0.00 C ATOM 208 O SER A 27 15.858 2.759 -19.015 1.00 0.00 O ATOM 209 CB SER A 27 14.488 0.186 -18.165 1.00 0.00 C ATOM 210 OG SER A 27 13.255 0.368 -18.856 1.00 0.00 O ATOM 0 H SER A 27 13.065 0.989 -16.294 1.00 0.00 H new ATOM 0 HA SER A 27 15.817 1.207 -16.845 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.284 -0.000 -18.886 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.421 -0.697 -17.530 1.00 0.00 H new ATOM 0 HG SER A 27 12.521 0.011 -18.314 1.00 0.00 H new ATOM 216 N GLY A 28 14.025 3.568 -17.967 1.00 0.00 N ATOM 217 CA GLY A 28 14.002 4.808 -18.724 1.00 0.00 C ATOM 218 C GLY A 28 13.003 4.726 -19.881 1.00 0.00 C ATOM 219 O GLY A 28 13.024 5.560 -20.784 1.00 0.00 O ATOM 0 H GLY A 28 13.279 3.476 -17.277 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.735 5.635 -18.066 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.998 5.019 -19.113 1.00 0.00 H new ATOM 223 N VAL A 29 12.153 3.712 -19.815 1.00 0.00 N ATOM 224 CA VAL A 29 11.148 3.509 -20.845 1.00 0.00 C ATOM 225 C VAL A 29 10.046 4.559 -20.689 1.00 0.00 C ATOM 226 O VAL A 29 9.633 5.180 -21.668 1.00 0.00 O ATOM 227 CB VAL A 29 10.620 2.075 -20.786 1.00 0.00 C ATOM 228 CG1 VAL A 29 9.203 1.989 -21.357 1.00 0.00 C ATOM 229 CG2 VAL A 29 11.563 1.113 -21.512 1.00 0.00 C ATOM 0 H VAL A 29 12.139 3.022 -19.064 1.00 0.00 H new ATOM 0 HA VAL A 29 11.584 3.639 -21.835 1.00 0.00 H new ATOM 0 HB VAL A 29 10.578 1.776 -19.739 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.851 0.959 -21.303 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.538 2.630 -20.778 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.209 2.317 -22.397 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.164 0.100 -21.455 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.652 1.410 -22.557 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.546 1.143 -21.042 1.00 0.00 H new ATOM 239 N LEU A 30 9.602 4.726 -19.452 1.00 0.00 N ATOM 240 CA LEU A 30 8.556 5.690 -19.156 1.00 0.00 C ATOM 241 C LEU A 30 9.193 6.999 -18.684 1.00 0.00 C ATOM 242 O LEU A 30 10.414 7.092 -18.568 1.00 0.00 O ATOM 243 CB LEU A 30 7.552 5.102 -18.163 1.00 0.00 C ATOM 244 CG LEU A 30 6.446 4.232 -18.764 1.00 0.00 C ATOM 245 CD1 LEU A 30 5.680 3.485 -17.670 1.00 0.00 C ATOM 246 CD2 LEU A 30 5.515 5.062 -19.650 1.00 0.00 C ATOM 0 H LEU A 30 9.948 4.210 -18.643 1.00 0.00 H new ATOM 0 HA LEU A 30 7.984 5.920 -20.055 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.100 4.506 -17.433 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.086 5.923 -17.619 1.00 0.00 H new ATOM 0 HG LEU A 30 6.912 3.481 -19.402 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.900 2.874 -18.124 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.367 2.844 -17.118 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.227 4.204 -16.988 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.738 4.419 -20.064 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.054 5.851 -19.055 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.088 5.508 -20.463 1.00 0.00 H new ATOM 258 N ALA A 31 8.338 7.976 -18.425 1.00 0.00 N ATOM 259 CA ALA A 31 8.801 9.275 -17.968 1.00 0.00 C ATOM 260 C ALA A 31 8.162 9.594 -16.616 1.00 0.00 C ATOM 261 O ALA A 31 6.949 9.467 -16.453 1.00 0.00 O ATOM 262 CB ALA A 31 8.483 10.333 -19.028 1.00 0.00 C ATOM 0 H ALA A 31 7.326 7.894 -18.523 1.00 0.00 H new ATOM 0 HA ALA A 31 9.882 9.269 -17.828 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.830 11.308 -18.685 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.985 10.076 -19.961 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.406 10.369 -19.194 1.00 0.00 H new ATOM 268 N ARG A 32 9.006 10.002 -15.679 1.00 0.00 N ATOM 269 CA ARG A 32 8.538 10.340 -14.346 1.00 0.00 C ATOM 270 C ARG A 32 8.990 11.751 -13.966 1.00 0.00 C ATOM 271 O ARG A 32 10.098 12.164 -14.307 1.00 0.00 O ATOM 272 CB ARG A 32 9.066 9.346 -13.309 1.00 0.00 C ATOM 273 CG ARG A 32 8.930 7.907 -13.810 1.00 0.00 C ATOM 274 CD ARG A 32 10.164 7.487 -14.611 1.00 0.00 C ATOM 275 NE ARG A 32 11.260 7.108 -13.691 1.00 0.00 N ATOM 276 CZ ARG A 32 12.238 7.938 -13.305 1.00 0.00 C ATOM 277 NH1 ARG A 32 12.264 9.199 -13.758 1.00 0.00 N ATOM 278 NH2 ARG A 32 13.191 7.507 -12.468 1.00 0.00 N ATOM 0 H ARG A 32 10.011 10.106 -15.817 1.00 0.00 H new ATOM 0 HA ARG A 32 7.449 10.294 -14.355 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.112 9.562 -13.093 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.516 9.463 -12.375 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.795 7.234 -12.963 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.040 7.817 -14.433 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.917 6.648 -15.261 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.485 8.305 -15.255 1.00 0.00 H new ATOM 0 HE ARG A 32 11.271 6.155 -13.328 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.539 9.527 -14.397 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.009 9.831 -13.464 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.172 6.547 -12.125 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.936 8.139 -12.174 1.00 0.00 H new ATOM 292 N CYS A 33 8.111 12.452 -13.266 1.00 0.00 N ATOM 293 CA CYS A 33 8.406 13.808 -12.837 1.00 0.00 C ATOM 294 C CYS A 33 9.481 13.745 -11.750 1.00 0.00 C ATOM 295 O CYS A 33 9.437 12.879 -10.877 1.00 0.00 O ATOM 296 CB CYS A 33 7.149 14.535 -12.354 1.00 0.00 C ATOM 297 SG CYS A 33 7.506 16.314 -12.118 1.00 0.00 S ATOM 0 H CYS A 33 7.194 12.106 -12.985 1.00 0.00 H new ATOM 0 HA CYS A 33 8.779 14.386 -13.683 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.345 14.410 -13.080 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.803 14.098 -11.417 1.00 0.00 H new ATOM 302 N ARG A 34 10.423 14.673 -11.839 1.00 0.00 N ATOM 303 CA ARG A 34 11.508 14.734 -10.875 1.00 0.00 C ATOM 304 C ARG A 34 10.950 14.878 -9.457 1.00 0.00 C ATOM 305 O ARG A 34 11.661 14.644 -8.481 1.00 0.00 O ATOM 306 CB ARG A 34 12.442 15.909 -11.170 1.00 0.00 C ATOM 307 CG ARG A 34 11.765 17.242 -10.848 1.00 0.00 C ATOM 308 CD ARG A 34 12.747 18.406 -10.998 1.00 0.00 C ATOM 309 NE ARG A 34 12.291 19.560 -10.191 1.00 0.00 N ATOM 310 CZ ARG A 34 12.370 19.620 -8.855 1.00 0.00 C ATOM 311 NH1 ARG A 34 12.886 18.592 -8.167 1.00 0.00 N ATOM 312 NH2 ARG A 34 11.931 20.707 -8.206 1.00 0.00 N ATOM 0 H ARG A 34 10.457 15.389 -12.565 1.00 0.00 H new ATOM 0 HA ARG A 34 12.075 13.806 -10.954 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.354 15.809 -10.582 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.735 15.890 -12.220 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.914 17.392 -11.512 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.375 17.219 -9.830 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.742 18.097 -10.676 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.826 18.693 -12.046 1.00 0.00 H new ATOM 0 HE ARG A 34 11.892 20.359 -10.683 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.219 17.764 -8.661 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.946 18.638 -7.150 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.537 21.489 -8.729 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.991 20.753 -7.189 1.00 0.00 H new ATOM 326 N ILE A 35 9.684 15.262 -9.390 1.00 0.00 N ATOM 327 CA ILE A 35 9.024 15.440 -8.108 1.00 0.00 C ATOM 328 C ILE A 35 8.107 14.245 -7.841 1.00 0.00 C ATOM 329 O ILE A 35 7.710 14.005 -6.702 1.00 0.00 O ATOM 330 CB ILE A 35 8.305 16.790 -8.059 1.00 0.00 C ATOM 331 CG1 ILE A 35 9.267 17.936 -8.376 1.00 0.00 C ATOM 332 CG2 ILE A 35 7.602 16.988 -6.714 1.00 0.00 C ATOM 333 CD1 ILE A 35 9.202 18.312 -9.858 1.00 0.00 C ATOM 0 H ILE A 35 9.098 15.455 -10.202 1.00 0.00 H new ATOM 0 HA ILE A 35 9.757 15.466 -7.302 1.00 0.00 H new ATOM 0 HB ILE A 35 7.534 16.794 -8.830 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.018 18.804 -7.766 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.284 17.644 -8.115 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.099 17.955 -6.705 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.868 16.196 -6.567 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.338 16.955 -5.910 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.895 19.129 -10.057 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.475 17.449 -10.465 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.189 18.626 -10.110 1.00 0.00 H new ATOM 345 N HIS A 36 7.796 13.527 -8.911 1.00 0.00 N ATOM 346 CA HIS A 36 6.934 12.363 -8.807 1.00 0.00 C ATOM 347 C HIS A 36 7.602 11.166 -9.486 1.00 0.00 C ATOM 348 O HIS A 36 7.781 11.158 -10.703 1.00 0.00 O ATOM 349 CB HIS A 36 5.544 12.665 -9.371 1.00 0.00 C ATOM 350 CG HIS A 36 5.147 14.119 -9.281 1.00 0.00 C ATOM 351 ND1 HIS A 36 4.969 14.774 -8.075 1.00 0.00 N ATOM 352 CD2 HIS A 36 4.896 15.036 -10.259 1.00 0.00 C ATOM 353 CE1 HIS A 36 4.626 16.029 -8.328 1.00 0.00 C ATOM 354 NE2 HIS A 36 4.581 16.189 -9.681 1.00 0.00 N ATOM 0 H HIS A 36 8.126 13.730 -9.854 1.00 0.00 H new ATOM 0 HA HIS A 36 6.789 12.106 -7.758 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.512 12.354 -10.415 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.808 12.064 -8.837 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.945 14.855 -11.323 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.419 16.791 -7.591 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.344 17.053 -10.169 1.00 0.00 H new ATOM 362 N ASN A 37 7.954 10.184 -8.669 1.00 0.00 N ATOM 363 CA ASN A 37 8.599 8.984 -9.176 1.00 0.00 C ATOM 364 C ASN A 37 7.546 7.895 -9.387 1.00 0.00 C ATOM 365 O ASN A 37 7.840 6.845 -9.957 1.00 0.00 O ATOM 366 CB ASN A 37 9.635 8.455 -8.183 1.00 0.00 C ATOM 367 CG ASN A 37 9.070 8.433 -6.761 1.00 0.00 C ATOM 368 OD1 ASN A 37 8.654 7.408 -6.246 1.00 0.00 O ATOM 369 ND2 ASN A 37 9.079 9.618 -6.157 1.00 0.00 N ATOM 0 H ASN A 37 7.805 10.195 -7.660 1.00 0.00 H new ATOM 0 HA ASN A 37 9.095 9.237 -10.113 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.941 7.450 -8.472 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.527 9.081 -8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.723 9.708 -5.205 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.442 10.437 -6.646 1.00 0.00 H new ATOM 376 N ASP A 38 6.341 8.182 -8.917 1.00 0.00 N ATOM 377 CA ASP A 38 5.243 7.239 -9.047 1.00 0.00 C ATOM 378 C ASP A 38 4.369 7.642 -10.236 1.00 0.00 C ATOM 379 O ASP A 38 3.282 7.098 -10.425 1.00 0.00 O ATOM 380 CB ASP A 38 4.365 7.240 -7.794 1.00 0.00 C ATOM 381 CG ASP A 38 5.049 6.727 -6.525 1.00 0.00 C ATOM 382 OD1 ASP A 38 4.733 7.163 -5.408 1.00 0.00 O ATOM 383 OD2 ASP A 38 5.954 5.828 -6.719 1.00 0.00 O ATOM 0 H ASP A 38 6.101 9.054 -8.446 1.00 0.00 H new ATOM 0 HA ASP A 38 5.667 6.245 -9.190 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.015 8.257 -7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.483 6.629 -7.986 1.00 0.00 H new ATOM 389 N VAL A 39 4.876 8.593 -11.008 1.00 0.00 N ATOM 390 CA VAL A 39 4.156 9.075 -12.174 1.00 0.00 C ATOM 391 C VAL A 39 4.702 8.387 -13.426 1.00 0.00 C ATOM 392 O VAL A 39 5.876 8.024 -13.477 1.00 0.00 O ATOM 393 CB VAL A 39 4.238 10.601 -12.246 1.00 0.00 C ATOM 394 CG1 VAL A 39 4.026 11.094 -13.678 1.00 0.00 C ATOM 395 CG2 VAL A 39 3.236 11.250 -11.288 1.00 0.00 C ATOM 0 H VAL A 39 5.778 9.043 -10.848 1.00 0.00 H new ATOM 0 HA VAL A 39 3.098 8.823 -12.100 1.00 0.00 H new ATOM 0 HB VAL A 39 5.239 10.898 -11.934 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.089 12.182 -13.701 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.794 10.672 -14.326 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.043 10.780 -14.029 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.315 12.335 -11.359 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.225 10.942 -11.555 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.453 10.936 -10.267 1.00 0.00 H new ATOM 405 N ILE A 40 3.825 8.228 -14.406 1.00 0.00 N ATOM 406 CA ILE A 40 4.205 7.590 -15.655 1.00 0.00 C ATOM 407 C ILE A 40 3.850 8.513 -16.822 1.00 0.00 C ATOM 408 O ILE A 40 2.715 8.974 -16.931 1.00 0.00 O ATOM 409 CB ILE A 40 3.577 6.199 -15.758 1.00 0.00 C ATOM 410 CG1 ILE A 40 4.301 5.202 -14.852 1.00 0.00 C ATOM 411 CG2 ILE A 40 3.533 5.724 -17.212 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.638 3.824 -14.910 1.00 0.00 C ATOM 0 H ILE A 40 2.852 8.530 -14.360 1.00 0.00 H new ATOM 0 HA ILE A 40 5.283 7.431 -15.690 1.00 0.00 H new ATOM 0 HB ILE A 40 2.547 6.263 -15.408 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.344 5.120 -15.156 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.296 5.569 -13.825 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.082 4.733 -17.257 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.939 6.420 -17.804 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.546 5.680 -17.611 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.173 3.135 -14.257 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.602 3.905 -14.582 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.666 3.449 -15.933 1.00 0.00 H new ATOM 424 N LEU A 41 4.842 8.755 -17.666 1.00 0.00 N ATOM 425 CA LEU A 41 4.649 9.615 -18.822 1.00 0.00 C ATOM 426 C LEU A 41 5.078 8.867 -20.086 1.00 0.00 C ATOM 427 O LEU A 41 6.116 8.207 -20.099 1.00 0.00 O ATOM 428 CB LEU A 41 5.370 10.950 -18.623 1.00 0.00 C ATOM 429 CG LEU A 41 4.600 12.019 -17.845 1.00 0.00 C ATOM 430 CD1 LEU A 41 4.159 11.492 -16.478 1.00 0.00 C ATOM 431 CD2 LEU A 41 5.417 13.307 -17.727 1.00 0.00 C ATOM 0 H LEU A 41 5.782 8.371 -17.573 1.00 0.00 H new ATOM 0 HA LEU A 41 3.594 9.863 -18.940 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.310 10.759 -18.105 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.622 11.354 -19.604 1.00 0.00 H new ATOM 0 HG LEU A 41 3.696 12.262 -18.403 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.614 12.272 -15.946 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.512 10.625 -16.614 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.036 11.203 -15.899 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.846 14.050 -17.170 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.350 13.099 -17.204 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.637 13.691 -18.723 1.00 0.00 H new ATOM 443 N ASP A 42 4.257 8.995 -21.118 1.00 0.00 N ATOM 444 CA ASP A 42 4.538 8.339 -22.383 1.00 0.00 C ATOM 445 C ASP A 42 5.594 9.142 -23.145 1.00 0.00 C ATOM 446 O ASP A 42 5.353 10.286 -23.528 1.00 0.00 O ATOM 447 CB ASP A 42 3.283 8.263 -23.255 1.00 0.00 C ATOM 448 CG ASP A 42 2.416 9.524 -23.252 1.00 0.00 C ATOM 449 OD1 ASP A 42 1.549 9.701 -22.384 1.00 0.00 O ATOM 450 OD2 ASP A 42 2.663 10.357 -24.206 1.00 0.00 O ATOM 0 H ASP A 42 3.397 9.543 -21.104 1.00 0.00 H new ATOM 0 HA ASP A 42 4.890 7.330 -22.169 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.584 8.050 -24.281 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.676 7.422 -22.919 1.00 0.00 H new ATOM 456 N SER A 43 6.743 8.511 -23.342 1.00 0.00 N ATOM 457 CA SER A 43 7.837 9.153 -24.051 1.00 0.00 C ATOM 458 C SER A 43 7.835 8.719 -25.518 1.00 0.00 C ATOM 459 O SER A 43 8.100 9.526 -26.408 1.00 0.00 O ATOM 460 CB SER A 43 9.183 8.823 -23.402 1.00 0.00 C ATOM 461 OG SER A 43 10.234 9.640 -23.908 1.00 0.00 O ATOM 0 H SER A 43 6.940 7.562 -23.023 1.00 0.00 H new ATOM 0 HA SER A 43 7.693 10.232 -23.997 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.108 8.957 -22.323 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.423 7.774 -23.577 1.00 0.00 H new ATOM 0 HG SER A 43 11.076 9.400 -23.468 1.00 0.00 H new ATOM 467 N GLY A 44 7.534 7.446 -25.726 1.00 0.00 N ATOM 468 CA GLY A 44 7.494 6.895 -27.070 1.00 0.00 C ATOM 469 C GLY A 44 8.821 6.222 -27.426 1.00 0.00 C ATOM 470 O GLY A 44 9.198 6.166 -28.595 1.00 0.00 O ATOM 0 H GLY A 44 7.315 6.779 -24.986 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.683 6.171 -27.146 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.281 7.689 -27.786 1.00 0.00 H new ATOM 474 N ASN A 45 9.493 5.728 -26.396 1.00 0.00 N ATOM 475 CA ASN A 45 10.770 5.061 -26.586 1.00 0.00 C ATOM 476 C ASN A 45 10.554 3.546 -26.585 1.00 0.00 C ATOM 477 O ASN A 45 9.466 3.071 -26.265 1.00 0.00 O ATOM 478 CB ASN A 45 11.742 5.401 -25.455 1.00 0.00 C ATOM 479 CG ASN A 45 11.071 5.244 -24.089 1.00 0.00 C ATOM 480 OD1 ASN A 45 10.331 4.308 -23.836 1.00 0.00 O ATOM 481 ND2 ASN A 45 11.369 6.211 -23.225 1.00 0.00 N ATOM 0 H ASN A 45 9.177 5.776 -25.427 1.00 0.00 H new ATOM 0 HA ASN A 45 11.189 5.397 -27.535 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.614 4.750 -25.513 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.099 6.424 -25.573 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.970 6.197 -22.286 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.996 6.966 -23.501 1.00 0.00 H new ATOM 488 N ASP A 46 11.609 2.831 -26.946 1.00 0.00 N ATOM 489 CA ASP A 46 11.548 1.380 -26.991 1.00 0.00 C ATOM 490 C ASP A 46 11.046 0.853 -25.646 1.00 0.00 C ATOM 491 O ASP A 46 11.793 0.822 -24.669 1.00 0.00 O ATOM 492 CB ASP A 46 12.932 0.778 -27.247 1.00 0.00 C ATOM 493 CG ASP A 46 13.055 -0.715 -26.939 1.00 0.00 C ATOM 494 OD1 ASP A 46 13.450 -1.108 -25.832 1.00 0.00 O ATOM 495 OD2 ASP A 46 12.722 -1.501 -27.907 1.00 0.00 O ATOM 0 H ASP A 46 12.510 3.229 -27.210 1.00 0.00 H new ATOM 0 HA ASP A 46 10.875 1.096 -27.800 1.00 0.00 H new ATOM 0 HB2 ASP A 46 13.195 0.941 -28.292 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.664 1.319 -26.647 1.00 0.00 H new ATOM 501 N ALA A 47 9.783 0.451 -25.638 1.00 0.00 N ATOM 502 CA ALA A 47 9.172 -0.073 -24.428 1.00 0.00 C ATOM 503 C ALA A 47 9.660 -1.505 -24.194 1.00 0.00 C ATOM 504 O ALA A 47 9.561 -2.024 -23.084 1.00 0.00 O ATOM 505 CB ALA A 47 7.649 0.011 -24.547 1.00 0.00 C ATOM 0 H ALA A 47 9.166 0.478 -26.450 1.00 0.00 H new ATOM 0 HA ALA A 47 9.465 0.521 -23.562 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.191 -0.382 -23.639 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.351 1.051 -24.683 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.318 -0.576 -25.404 1.00 0.00 H new ATOM 511 N SER A 48 10.176 -2.101 -25.259 1.00 0.00 N ATOM 512 CA SER A 48 10.679 -3.462 -25.183 1.00 0.00 C ATOM 513 C SER A 48 11.747 -3.565 -24.093 1.00 0.00 C ATOM 514 O SER A 48 11.890 -4.608 -23.456 1.00 0.00 O ATOM 515 CB SER A 48 11.250 -3.914 -26.529 1.00 0.00 C ATOM 516 OG SER A 48 11.351 -5.332 -26.618 1.00 0.00 O ATOM 0 H SER A 48 10.257 -1.667 -26.178 1.00 0.00 H new ATOM 0 HA SER A 48 9.847 -4.120 -24.932 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.615 -3.545 -27.334 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.236 -3.471 -26.672 1.00 0.00 H new ATOM 0 HG SER A 48 11.718 -5.580 -27.492 1.00 0.00 H new ATOM 522 N SER A 49 12.469 -2.470 -23.910 1.00 0.00 N ATOM 523 CA SER A 49 13.520 -2.424 -22.907 1.00 0.00 C ATOM 524 C SER A 49 12.928 -2.669 -21.518 1.00 0.00 C ATOM 525 O SER A 49 13.413 -3.519 -20.773 1.00 0.00 O ATOM 526 CB SER A 49 14.256 -1.083 -22.942 1.00 0.00 C ATOM 527 OG SER A 49 15.109 -0.972 -24.078 1.00 0.00 O ATOM 0 H SER A 49 12.347 -1.607 -24.440 1.00 0.00 H new ATOM 0 HA SER A 49 14.242 -3.209 -23.131 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.529 -0.271 -22.954 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.846 -0.970 -22.033 1.00 0.00 H new ATOM 0 HG SER A 49 14.725 -1.476 -24.826 1.00 0.00 H new ATOM 533 N ALA A 50 11.887 -1.909 -21.211 1.00 0.00 N ATOM 534 CA ALA A 50 11.223 -2.032 -19.924 1.00 0.00 C ATOM 535 C ALA A 50 10.582 -3.418 -19.817 1.00 0.00 C ATOM 536 O ALA A 50 10.592 -4.029 -18.749 1.00 0.00 O ATOM 537 CB ALA A 50 10.203 -0.904 -19.765 1.00 0.00 C ATOM 0 H ALA A 50 11.487 -1.205 -21.832 1.00 0.00 H new ATOM 0 HA ALA A 50 11.942 -1.937 -19.110 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.705 -0.997 -18.800 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.713 0.058 -19.819 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.463 -0.968 -20.562 1.00 0.00 H new ATOM 543 N TYR A 51 10.041 -3.872 -20.937 1.00 0.00 N ATOM 544 CA TYR A 51 9.397 -5.174 -20.983 1.00 0.00 C ATOM 545 C TYR A 51 10.416 -6.297 -20.780 1.00 0.00 C ATOM 546 O TYR A 51 10.100 -7.327 -20.187 1.00 0.00 O ATOM 547 CB TYR A 51 8.792 -5.297 -22.382 1.00 0.00 C ATOM 548 CG TYR A 51 7.433 -4.609 -22.535 1.00 0.00 C ATOM 549 CD1 TYR A 51 6.376 -4.983 -21.731 1.00 0.00 C ATOM 550 CD2 TYR A 51 7.265 -3.615 -23.478 1.00 0.00 C ATOM 551 CE1 TYR A 51 5.098 -4.336 -21.875 1.00 0.00 C ATOM 552 CE2 TYR A 51 5.987 -2.968 -23.622 1.00 0.00 C ATOM 553 CZ TYR A 51 4.966 -3.361 -22.813 1.00 0.00 C ATOM 554 OH TYR A 51 3.759 -2.750 -22.949 1.00 0.00 O ATOM 0 H TYR A 51 10.035 -3.362 -21.820 1.00 0.00 H new ATOM 0 HA TYR A 51 8.648 -5.259 -20.195 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.487 -4.871 -23.106 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.683 -6.353 -22.628 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.507 -5.761 -20.994 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.092 -3.323 -24.108 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.263 -4.619 -21.252 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.842 -2.189 -24.355 1.00 0.00 H new ATOM 0 HH TYR A 51 3.813 -2.074 -23.656 1.00 0.00 H new ATOM 564 N LYS A 52 11.618 -6.061 -21.285 1.00 0.00 N ATOM 565 CA LYS A 52 12.685 -7.040 -21.168 1.00 0.00 C ATOM 566 C LYS A 52 13.108 -7.153 -19.702 1.00 0.00 C ATOM 567 O LYS A 52 13.191 -8.253 -19.159 1.00 0.00 O ATOM 568 CB LYS A 52 13.836 -6.694 -22.115 1.00 0.00 C ATOM 569 CG LYS A 52 14.452 -7.961 -22.714 1.00 0.00 C ATOM 570 CD LYS A 52 15.679 -8.404 -21.915 1.00 0.00 C ATOM 571 CE LYS A 52 15.347 -9.599 -21.019 1.00 0.00 C ATOM 572 NZ LYS A 52 16.056 -9.488 -19.724 1.00 0.00 N ATOM 0 H LYS A 52 11.877 -5.205 -21.776 1.00 0.00 H new ATOM 0 HA LYS A 52 12.334 -8.025 -21.476 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.472 -6.049 -22.915 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.600 -6.134 -21.576 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.711 -8.761 -22.723 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.735 -7.777 -23.750 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.486 -8.670 -22.598 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.038 -7.576 -21.304 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.271 -9.646 -20.849 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.631 -10.525 -21.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.090 -10.421 -19.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.025 -9.147 -19.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.552 -8.818 -19.109 1.00 0.00 H new ATOM 586 N LEU A 53 13.366 -5.999 -19.103 1.00 0.00 N ATOM 587 CA LEU A 53 13.778 -5.954 -17.710 1.00 0.00 C ATOM 588 C LEU A 53 12.588 -6.313 -16.819 1.00 0.00 C ATOM 589 O LEU A 53 12.766 -6.832 -15.718 1.00 0.00 O ATOM 590 CB LEU A 53 14.406 -4.599 -17.381 1.00 0.00 C ATOM 591 CG LEU A 53 15.001 -4.458 -15.978 1.00 0.00 C ATOM 592 CD1 LEU A 53 13.944 -3.978 -14.981 1.00 0.00 C ATOM 593 CD2 LEU A 53 15.661 -5.763 -15.529 1.00 0.00 C ATOM 0 H LEU A 53 13.298 -5.088 -19.557 1.00 0.00 H new ATOM 0 HA LEU A 53 14.555 -6.694 -17.518 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.192 -4.399 -18.109 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.647 -3.828 -17.511 1.00 0.00 H new ATOM 0 HG LEU A 53 15.781 -3.698 -16.012 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.392 -3.886 -13.992 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.560 -3.008 -15.297 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.126 -4.698 -14.943 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.076 -5.636 -14.529 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.918 -6.560 -15.515 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.460 -6.024 -16.223 1.00 0.00 H new ATOM 605 N GLY A 54 11.399 -6.024 -17.328 1.00 0.00 N ATOM 606 CA GLY A 54 10.180 -6.309 -16.591 1.00 0.00 C ATOM 607 C GLY A 54 9.927 -7.816 -16.512 1.00 0.00 C ATOM 608 O GLY A 54 9.688 -8.353 -15.431 1.00 0.00 O ATOM 0 H GLY A 54 11.254 -5.595 -18.242 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.254 -5.896 -15.585 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.335 -5.820 -17.075 1.00 0.00 H new ATOM 612 N THR A 55 9.989 -8.456 -17.670 1.00 0.00 N ATOM 613 CA THR A 55 9.771 -9.891 -17.746 1.00 0.00 C ATOM 614 C THR A 55 10.846 -10.636 -16.953 1.00 0.00 C ATOM 615 O THR A 55 10.544 -11.584 -16.229 1.00 0.00 O ATOM 616 CB THR A 55 9.722 -10.284 -19.223 1.00 0.00 C ATOM 617 OG1 THR A 55 10.960 -9.815 -19.749 1.00 0.00 O ATOM 618 CG2 THR A 55 8.665 -9.500 -20.004 1.00 0.00 C ATOM 0 H THR A 55 10.187 -8.007 -18.564 1.00 0.00 H new ATOM 0 HA THR A 55 8.822 -10.172 -17.289 1.00 0.00 H new ATOM 0 HB THR A 55 9.518 -11.351 -19.307 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.837 -8.918 -20.124 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.673 -9.818 -21.047 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.681 -9.688 -19.574 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.887 -8.434 -19.948 1.00 0.00 H new ATOM 626 N TYR A 56 12.079 -10.181 -17.117 1.00 0.00 N ATOM 627 CA TYR A 56 13.201 -10.793 -16.426 1.00 0.00 C ATOM 628 C TYR A 56 13.051 -10.658 -14.910 1.00 0.00 C ATOM 629 O TYR A 56 13.320 -11.602 -14.169 1.00 0.00 O ATOM 630 CB TYR A 56 14.444 -10.022 -16.874 1.00 0.00 C ATOM 631 CG TYR A 56 15.733 -10.460 -16.176 1.00 0.00 C ATOM 632 CD1 TYR A 56 16.057 -9.943 -14.938 1.00 0.00 C ATOM 633 CD2 TYR A 56 16.572 -11.371 -16.785 1.00 0.00 C ATOM 634 CE1 TYR A 56 17.271 -10.355 -14.281 1.00 0.00 C ATOM 635 CE2 TYR A 56 17.786 -11.783 -16.128 1.00 0.00 C ATOM 636 CZ TYR A 56 18.075 -11.255 -14.909 1.00 0.00 C ATOM 637 OH TYR A 56 19.221 -11.644 -14.288 1.00 0.00 O ATOM 0 H TYR A 56 12.326 -9.395 -17.719 1.00 0.00 H new ATOM 0 HA TYR A 56 13.262 -11.856 -16.660 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.566 -10.144 -17.950 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.286 -8.959 -16.689 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.401 -9.230 -14.462 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.318 -11.775 -17.754 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.537 -9.959 -13.312 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.451 -12.495 -16.593 1.00 0.00 H new ATOM 0 HH TYR A 56 19.695 -12.290 -14.852 1.00 0.00 H new ATOM 647 N LEU A 57 12.622 -9.476 -14.493 1.00 0.00 N ATOM 648 CA LEU A 57 12.432 -9.205 -13.078 1.00 0.00 C ATOM 649 C LEU A 57 11.142 -9.875 -12.603 1.00 0.00 C ATOM 650 O LEU A 57 11.018 -10.232 -11.432 1.00 0.00 O ATOM 651 CB LEU A 57 12.478 -7.699 -12.810 1.00 0.00 C ATOM 652 CG LEU A 57 12.897 -7.281 -11.399 1.00 0.00 C ATOM 653 CD1 LEU A 57 14.413 -7.097 -11.309 1.00 0.00 C ATOM 654 CD2 LEU A 57 12.140 -6.029 -10.950 1.00 0.00 C ATOM 0 H LEU A 57 12.400 -8.695 -15.110 1.00 0.00 H new ATOM 0 HA LEU A 57 13.247 -9.634 -12.495 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.167 -7.244 -13.522 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.491 -7.284 -13.012 1.00 0.00 H new ATOM 0 HG LEU A 57 12.629 -8.083 -10.712 1.00 0.00 H new ATOM 0 HD11 LEU A 57 14.684 -6.800 -10.296 1.00 0.00 H new ATOM 0 HD12 LEU A 57 14.909 -8.036 -11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 57 14.728 -6.324 -12.010 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.457 -5.754 -9.944 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.354 -5.209 -11.635 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.069 -6.232 -10.951 1.00 0.00 H new ATOM 666 N TYR A 58 10.213 -10.026 -13.535 1.00 0.00 N ATOM 667 CA TYR A 58 8.936 -10.647 -13.226 1.00 0.00 C ATOM 668 C TYR A 58 9.062 -12.171 -13.193 1.00 0.00 C ATOM 669 O TYR A 58 8.303 -12.846 -12.499 1.00 0.00 O ATOM 670 CB TYR A 58 7.989 -10.249 -14.360 1.00 0.00 C ATOM 671 CG TYR A 58 7.297 -8.901 -14.149 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.822 -8.557 -12.900 1.00 0.00 C ATOM 673 CD2 TYR A 58 7.150 -8.028 -15.208 1.00 0.00 C ATOM 674 CE1 TYR A 58 6.171 -7.287 -12.702 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.499 -6.759 -15.010 1.00 0.00 C ATOM 676 CZ TYR A 58 6.042 -6.451 -13.766 1.00 0.00 C ATOM 677 OH TYR A 58 5.428 -5.252 -13.579 1.00 0.00 O ATOM 0 H TYR A 58 10.319 -9.729 -14.505 1.00 0.00 H new ATOM 0 HA TYR A 58 8.577 -10.323 -12.249 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.551 -10.215 -15.294 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.229 -11.022 -14.473 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.938 -9.240 -12.071 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.523 -8.297 -16.185 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.794 -7.006 -11.730 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.376 -6.067 -15.830 1.00 0.00 H new ATOM 0 HH TYR A 58 5.577 -4.948 -12.659 1.00 0.00 H new ATOM 687 N GLN A 59 10.026 -12.670 -13.954 1.00 0.00 N ATOM 688 CA GLN A 59 10.260 -14.102 -14.020 1.00 0.00 C ATOM 689 C GLN A 59 11.631 -14.444 -13.432 1.00 0.00 C ATOM 690 O GLN A 59 12.660 -14.036 -13.968 1.00 0.00 O ATOM 691 CB GLN A 59 10.139 -14.612 -15.458 1.00 0.00 C ATOM 692 CG GLN A 59 9.733 -16.086 -15.485 1.00 0.00 C ATOM 693 CD GLN A 59 9.810 -16.651 -16.905 1.00 0.00 C ATOM 694 OE1 GLN A 59 10.455 -17.653 -17.168 1.00 0.00 O ATOM 695 NE2 GLN A 59 9.120 -15.953 -17.803 1.00 0.00 N ATOM 0 H GLN A 59 10.653 -12.108 -14.529 1.00 0.00 H new ATOM 0 HA GLN A 59 9.496 -14.602 -13.426 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.401 -14.018 -15.997 1.00 0.00 H new ATOM 0 HB3 GLN A 59 11.090 -14.484 -15.974 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.386 -16.659 -14.826 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.719 -16.194 -15.101 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.601 -15.123 -17.515 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.109 -16.248 -18.779 1.00 0.00 H new ATOM 704 N LYS A 60 11.600 -15.188 -12.336 1.00 0.00 N ATOM 705 CA LYS A 60 12.827 -15.588 -11.668 1.00 0.00 C ATOM 706 C LYS A 60 13.669 -16.435 -12.625 1.00 0.00 C ATOM 707 O LYS A 60 14.895 -16.333 -12.634 1.00 0.00 O ATOM 708 CB LYS A 60 12.513 -16.286 -10.343 1.00 0.00 C ATOM 709 CG LYS A 60 11.973 -17.698 -10.582 1.00 0.00 C ATOM 710 CD LYS A 60 11.123 -18.167 -9.400 1.00 0.00 C ATOM 711 CE LYS A 60 10.127 -19.245 -9.833 1.00 0.00 C ATOM 712 NZ LYS A 60 9.039 -18.650 -10.641 1.00 0.00 N ATOM 0 H LYS A 60 10.745 -15.524 -11.894 1.00 0.00 H new ATOM 0 HA LYS A 60 13.422 -14.713 -11.407 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.414 -16.336 -9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.781 -15.702 -9.785 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.375 -17.713 -11.493 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.803 -18.388 -10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.770 -18.559 -8.615 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.585 -17.319 -8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.641 -20.012 -10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.709 -19.736 -8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.218 -19.289 -10.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.764 -17.734 -10.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.369 -18.509 -11.617 1.00 0.00 H new ATOM 726 N ASP A 61 12.979 -17.252 -13.406 1.00 0.00 N ATOM 727 CA ASP A 61 13.648 -18.115 -14.364 1.00 0.00 C ATOM 728 C ASP A 61 13.280 -17.678 -15.783 1.00 0.00 C ATOM 729 O ASP A 61 12.392 -16.847 -15.970 1.00 0.00 O ATOM 730 CB ASP A 61 13.213 -19.572 -14.191 1.00 0.00 C ATOM 731 CG ASP A 61 13.658 -20.228 -12.882 1.00 0.00 C ATOM 732 OD1 ASP A 61 12.856 -20.409 -11.954 1.00 0.00 O ATOM 733 OD2 ASP A 61 14.902 -20.564 -12.836 1.00 0.00 O ATOM 0 H ASP A 61 11.962 -17.335 -13.395 1.00 0.00 H new ATOM 0 HA ASP A 61 14.722 -18.036 -14.195 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.126 -19.621 -14.253 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.607 -20.154 -15.024 1.00 0.00 H new ATOM 739 N ASN A 62 13.981 -18.256 -16.747 1.00 0.00 N ATOM 740 CA ASN A 62 13.739 -17.936 -18.144 1.00 0.00 C ATOM 741 C ASN A 62 13.345 -19.210 -18.894 1.00 0.00 C ATOM 742 O ASN A 62 14.161 -20.116 -19.056 1.00 0.00 O ATOM 743 CB ASN A 62 14.997 -17.368 -18.805 1.00 0.00 C ATOM 744 CG ASN A 62 15.065 -15.849 -18.638 1.00 0.00 C ATOM 745 OD1 ASN A 62 15.495 -15.329 -17.621 1.00 0.00 O ATOM 746 ND2 ASN A 62 14.620 -15.168 -19.690 1.00 0.00 N ATOM 0 H ASN A 62 14.717 -18.944 -16.589 1.00 0.00 H new ATOM 0 HA ASN A 62 12.942 -17.193 -18.187 1.00 0.00 H new ATOM 0 HB2 ASN A 62 15.882 -17.826 -18.364 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.001 -17.622 -19.865 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.625 -14.148 -19.677 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.273 -15.666 -20.510 1.00 0.00 H new ATOM 753 N SER A 63 12.095 -19.239 -19.331 1.00 0.00 N ATOM 754 CA SER A 63 11.583 -20.387 -20.060 1.00 0.00 C ATOM 755 C SER A 63 10.504 -19.940 -21.048 1.00 0.00 C ATOM 756 O SER A 63 10.095 -18.780 -21.044 1.00 0.00 O ATOM 757 CB SER A 63 11.023 -21.441 -19.103 1.00 0.00 C ATOM 758 OG SER A 63 9.838 -20.994 -18.450 1.00 0.00 O ATOM 0 H SER A 63 11.421 -18.486 -19.194 1.00 0.00 H new ATOM 0 HA SER A 63 12.408 -20.838 -20.612 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.809 -22.356 -19.656 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.777 -21.689 -18.356 1.00 0.00 H new ATOM 0 HG SER A 63 9.084 -21.559 -18.718 1.00 0.00 H new ATOM 764 N CYS A 64 10.073 -20.885 -21.871 1.00 0.00 N ATOM 765 CA CYS A 64 9.049 -20.603 -22.863 1.00 0.00 C ATOM 766 C CYS A 64 7.710 -20.446 -22.140 1.00 0.00 C ATOM 767 O CYS A 64 7.049 -19.416 -22.268 1.00 0.00 O ATOM 768 CB CYS A 64 8.992 -21.688 -23.941 1.00 0.00 C ATOM 769 SG CYS A 64 10.485 -21.602 -24.996 1.00 0.00 S ATOM 0 H CYS A 64 10.414 -21.846 -21.871 1.00 0.00 H new ATOM 0 HA CYS A 64 9.290 -19.677 -23.385 1.00 0.00 H new ATOM 0 HB2 CYS A 64 8.922 -22.671 -23.476 1.00 0.00 H new ATOM 0 HB3 CYS A 64 8.098 -21.559 -24.551 1.00 0.00 H new ATOM 0 HG CYS A 64 10.427 -22.529 -25.906 1.00 0.00 H new ATOM 775 N ASN A 65 7.350 -21.482 -21.397 1.00 0.00 N ATOM 776 CA ASN A 65 6.102 -21.471 -20.653 1.00 0.00 C ATOM 777 C ASN A 65 6.395 -21.703 -19.170 1.00 0.00 C ATOM 778 O ASN A 65 7.431 -22.264 -18.818 1.00 0.00 O ATOM 779 CB ASN A 65 5.167 -22.585 -21.130 1.00 0.00 C ATOM 780 CG ASN A 65 4.351 -22.134 -22.343 1.00 0.00 C ATOM 781 OD1 ASN A 65 3.624 -21.154 -22.305 1.00 0.00 O ATOM 782 ND2 ASN A 65 4.510 -22.901 -23.418 1.00 0.00 N ATOM 0 H ASN A 65 7.901 -22.334 -21.294 1.00 0.00 H new ATOM 0 HA ASN A 65 5.623 -20.505 -20.812 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.750 -23.469 -21.388 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.495 -22.872 -20.321 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.008 -22.683 -24.279 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.134 -23.707 -23.382 1.00 0.00 H new ATOM 789 N LEU A 66 5.463 -21.258 -18.339 1.00 0.00 N ATOM 790 CA LEU A 66 5.609 -21.410 -16.901 1.00 0.00 C ATOM 791 C LEU A 66 4.250 -21.198 -16.230 1.00 0.00 C ATOM 792 O LEU A 66 3.373 -20.542 -16.790 1.00 0.00 O ATOM 793 CB LEU A 66 6.706 -20.484 -16.373 1.00 0.00 C ATOM 794 CG LEU A 66 7.316 -20.868 -15.023 1.00 0.00 C ATOM 795 CD1 LEU A 66 8.406 -21.928 -15.196 1.00 0.00 C ATOM 796 CD2 LEU A 66 7.830 -19.633 -14.282 1.00 0.00 C ATOM 0 H LEU A 66 4.605 -20.793 -18.634 1.00 0.00 H new ATOM 0 HA LEU A 66 5.932 -22.422 -16.656 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.506 -20.443 -17.112 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.296 -19.477 -16.291 1.00 0.00 H new ATOM 0 HG LEU A 66 6.532 -21.309 -14.407 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.823 -22.183 -14.222 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.977 -22.820 -15.652 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.196 -21.537 -15.838 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.258 -19.934 -13.326 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.594 -19.140 -14.883 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.004 -18.943 -14.108 1.00 0.00 H new ATOM 808 N PHE A 67 4.118 -21.766 -15.040 1.00 0.00 N ATOM 809 CA PHE A 67 2.881 -21.647 -14.287 1.00 0.00 C ATOM 810 C PHE A 67 2.395 -20.197 -14.256 1.00 0.00 C ATOM 811 O PHE A 67 1.194 -19.940 -14.323 1.00 0.00 O ATOM 812 CB PHE A 67 3.183 -22.102 -12.858 1.00 0.00 C ATOM 813 CG PHE A 67 3.005 -23.605 -12.633 1.00 0.00 C ATOM 814 CD1 PHE A 67 3.425 -24.489 -13.577 1.00 0.00 C ATOM 815 CD2 PHE A 67 2.426 -24.057 -11.488 1.00 0.00 C ATOM 816 CE1 PHE A 67 3.259 -25.884 -13.368 1.00 0.00 C ATOM 817 CE2 PHE A 67 2.260 -25.452 -11.279 1.00 0.00 C ATOM 818 CZ PHE A 67 2.681 -26.336 -12.223 1.00 0.00 C ATOM 0 H PHE A 67 4.847 -22.310 -14.579 1.00 0.00 H new ATOM 0 HA PHE A 67 2.103 -22.252 -14.751 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.208 -21.827 -12.609 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.532 -21.562 -12.170 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.885 -24.130 -14.486 1.00 0.00 H new ATOM 0 HD2 PHE A 67 2.093 -23.355 -10.738 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.592 -26.586 -14.118 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.799 -25.811 -10.370 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.556 -27.397 -12.063 1.00 0.00 H new ATOM 828 N ASN A 68 3.353 -19.287 -14.156 1.00 0.00 N ATOM 829 CA ASN A 68 3.037 -17.870 -14.116 1.00 0.00 C ATOM 830 C ASN A 68 3.005 -17.318 -15.542 1.00 0.00 C ATOM 831 O ASN A 68 3.989 -17.418 -16.273 1.00 0.00 O ATOM 832 CB ASN A 68 4.096 -17.092 -13.332 1.00 0.00 C ATOM 833 CG ASN A 68 3.889 -17.250 -11.824 1.00 0.00 C ATOM 834 OD1 ASN A 68 3.137 -16.524 -11.195 1.00 0.00 O ATOM 835 ND2 ASN A 68 4.597 -18.237 -11.282 1.00 0.00 N ATOM 0 H ASN A 68 4.348 -19.504 -14.102 1.00 0.00 H new ATOM 0 HA ASN A 68 2.069 -17.754 -13.629 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.090 -17.447 -13.605 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.050 -16.037 -13.600 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.529 -18.424 -10.282 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.208 -18.807 -11.867 1.00 0.00 H new ATOM 842 N THR A 69 1.862 -16.748 -15.896 1.00 0.00 N ATOM 843 CA THR A 69 1.689 -16.180 -17.223 1.00 0.00 C ATOM 844 C THR A 69 2.422 -14.841 -17.330 1.00 0.00 C ATOM 845 O THR A 69 2.173 -13.929 -16.543 1.00 0.00 O ATOM 846 CB THR A 69 0.188 -16.075 -17.499 1.00 0.00 C ATOM 847 OG1 THR A 69 -0.358 -17.248 -16.901 1.00 0.00 O ATOM 848 CG2 THR A 69 -0.146 -16.224 -18.985 1.00 0.00 C ATOM 0 H THR A 69 1.047 -16.667 -15.288 1.00 0.00 H new ATOM 0 HA THR A 69 2.131 -16.818 -17.988 1.00 0.00 H new ATOM 0 HB THR A 69 -0.181 -15.115 -17.139 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.329 -17.260 -17.031 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.224 -16.142 -19.126 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.355 -15.439 -19.551 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.193 -17.198 -19.338 1.00 0.00 H new ATOM 856 N LEU A 70 3.310 -14.766 -18.310 1.00 0.00 N ATOM 857 CA LEU A 70 4.081 -13.555 -18.530 1.00 0.00 C ATOM 858 C LEU A 70 3.150 -12.447 -19.030 1.00 0.00 C ATOM 859 O LEU A 70 3.418 -11.265 -18.819 1.00 0.00 O ATOM 860 CB LEU A 70 5.261 -13.833 -19.463 1.00 0.00 C ATOM 861 CG LEU A 70 5.875 -12.611 -20.150 1.00 0.00 C ATOM 862 CD1 LEU A 70 6.133 -11.488 -19.145 1.00 0.00 C ATOM 863 CD2 LEU A 70 7.141 -12.994 -20.920 1.00 0.00 C ATOM 0 H LEU A 70 3.513 -15.525 -18.961 1.00 0.00 H new ATOM 0 HA LEU A 70 4.519 -13.207 -17.594 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.042 -14.333 -18.890 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.933 -14.532 -20.233 1.00 0.00 H new ATOM 0 HG LEU A 70 5.157 -12.232 -20.878 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.569 -10.632 -19.660 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.192 -11.191 -18.681 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.822 -11.839 -18.376 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.558 -12.108 -21.399 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.874 -13.412 -20.230 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.894 -13.735 -21.680 1.00 0.00 H new ATOM 875 N THR A 71 2.077 -12.870 -19.681 1.00 0.00 N ATOM 876 CA THR A 71 1.105 -11.928 -20.212 1.00 0.00 C ATOM 877 C THR A 71 0.651 -10.958 -19.120 1.00 0.00 C ATOM 878 O THR A 71 0.350 -9.799 -19.401 1.00 0.00 O ATOM 879 CB THR A 71 -0.043 -12.731 -20.828 1.00 0.00 C ATOM 880 OG1 THR A 71 0.526 -13.307 -22.001 1.00 0.00 O ATOM 881 CG2 THR A 71 -1.164 -11.836 -21.358 1.00 0.00 C ATOM 0 H THR A 71 1.859 -13.851 -19.853 1.00 0.00 H new ATOM 0 HA THR A 71 1.542 -11.306 -20.993 1.00 0.00 H new ATOM 0 HB THR A 71 -0.447 -13.416 -20.083 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.150 -13.847 -22.462 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.953 -12.455 -21.784 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.571 -11.241 -20.541 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.768 -11.173 -22.127 1.00 0.00 H new ATOM 889 N GLU A 72 0.616 -11.467 -17.898 1.00 0.00 N ATOM 890 CA GLU A 72 0.204 -10.660 -16.762 1.00 0.00 C ATOM 891 C GLU A 72 1.139 -9.460 -16.596 1.00 0.00 C ATOM 892 O GLU A 72 0.682 -8.338 -16.385 1.00 0.00 O ATOM 893 CB GLU A 72 0.155 -11.498 -15.483 1.00 0.00 C ATOM 894 CG GLU A 72 0.196 -10.605 -14.241 1.00 0.00 C ATOM 895 CD GLU A 72 -0.823 -9.469 -14.348 1.00 0.00 C ATOM 896 OE1 GLU A 72 -0.607 -8.387 -13.783 1.00 0.00 O ATOM 897 OE2 GLU A 72 -1.872 -9.742 -15.049 1.00 0.00 O ATOM 0 H GLU A 72 0.866 -12.429 -17.669 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.803 -10.288 -16.952 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.754 -12.100 -15.473 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.996 -12.191 -15.465 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.011 -11.202 -13.353 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.197 -10.190 -14.120 1.00 0.00 H new ATOM 905 N ALA A 73 2.430 -9.739 -16.698 1.00 0.00 N ATOM 906 CA ALA A 73 3.433 -8.696 -16.562 1.00 0.00 C ATOM 907 C ALA A 73 3.313 -7.722 -17.736 1.00 0.00 C ATOM 908 O ALA A 73 3.233 -6.511 -17.536 1.00 0.00 O ATOM 909 CB ALA A 73 4.822 -9.332 -16.471 1.00 0.00 C ATOM 0 H ALA A 73 2.805 -10.671 -16.873 1.00 0.00 H new ATOM 0 HA ALA A 73 3.274 -8.128 -15.645 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.574 -8.550 -16.369 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.864 -9.991 -15.604 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.018 -9.908 -17.375 1.00 0.00 H new ATOM 915 N ARG A 74 3.305 -8.288 -18.934 1.00 0.00 N ATOM 916 CA ARG A 74 3.197 -7.485 -20.140 1.00 0.00 C ATOM 917 C ARG A 74 1.949 -6.602 -20.079 1.00 0.00 C ATOM 918 O ARG A 74 1.966 -5.463 -20.543 1.00 0.00 O ATOM 919 CB ARG A 74 3.127 -8.370 -21.386 1.00 0.00 C ATOM 920 CG ARG A 74 3.302 -7.539 -22.659 1.00 0.00 C ATOM 921 CD ARG A 74 3.372 -8.437 -23.895 1.00 0.00 C ATOM 922 NE ARG A 74 2.006 -8.776 -24.352 1.00 0.00 N ATOM 923 CZ ARG A 74 1.272 -8.004 -25.164 1.00 0.00 C ATOM 924 NH1 ARG A 74 1.768 -6.843 -25.613 1.00 0.00 N ATOM 925 NH2 ARG A 74 0.041 -8.392 -25.527 1.00 0.00 N ATOM 0 H ARG A 74 3.372 -9.293 -19.095 1.00 0.00 H new ATOM 0 HA ARG A 74 4.087 -6.859 -20.203 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.902 -9.135 -21.337 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.169 -8.889 -21.415 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.471 -6.841 -22.759 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.212 -6.943 -22.586 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.916 -7.931 -24.692 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.923 -9.348 -23.662 1.00 0.00 H new ATOM 0 HE ARG A 74 1.598 -9.653 -24.028 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.704 -6.547 -25.336 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.209 -6.255 -26.231 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.337 -9.275 -25.185 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.518 -7.804 -26.145 1.00 0.00 H new ATOM 939 N ASP A 75 0.895 -7.161 -19.502 1.00 0.00 N ATOM 940 CA ASP A 75 -0.359 -6.439 -19.375 1.00 0.00 C ATOM 941 C ASP A 75 -0.239 -5.410 -18.248 1.00 0.00 C ATOM 942 O ASP A 75 -0.872 -4.357 -18.294 1.00 0.00 O ATOM 943 CB ASP A 75 -1.509 -7.387 -19.027 1.00 0.00 C ATOM 944 CG ASP A 75 -2.836 -6.702 -18.696 1.00 0.00 C ATOM 945 OD1 ASP A 75 -3.216 -6.578 -17.523 1.00 0.00 O ATOM 946 OD2 ASP A 75 -3.500 -6.278 -19.718 1.00 0.00 O ATOM 0 H ASP A 75 0.884 -8.106 -19.117 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.566 -5.955 -20.329 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.667 -8.065 -19.866 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.211 -7.998 -18.175 1.00 0.00 H new ATOM 952 N ALA A 76 0.580 -5.752 -17.264 1.00 0.00 N ATOM 953 CA ALA A 76 0.792 -4.871 -16.128 1.00 0.00 C ATOM 954 C ALA A 76 1.473 -3.586 -16.604 1.00 0.00 C ATOM 955 O ALA A 76 1.099 -2.491 -16.189 1.00 0.00 O ATOM 956 CB ALA A 76 1.608 -5.602 -15.060 1.00 0.00 C ATOM 0 H ALA A 76 1.104 -6.626 -17.230 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.160 -4.592 -15.677 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.767 -4.941 -14.208 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.068 -6.491 -14.734 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.572 -5.896 -15.476 1.00 0.00 H new ATOM 962 N ILE A 77 2.462 -3.764 -17.468 1.00 0.00 N ATOM 963 CA ILE A 77 3.199 -2.633 -18.005 1.00 0.00 C ATOM 964 C ILE A 77 2.315 -1.881 -19.003 1.00 0.00 C ATOM 965 O ILE A 77 2.189 -0.660 -18.929 1.00 0.00 O ATOM 966 CB ILE A 77 4.534 -3.094 -18.592 1.00 0.00 C ATOM 967 CG1 ILE A 77 5.220 -4.103 -17.669 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.437 -1.898 -18.906 1.00 0.00 C ATOM 969 CD1 ILE A 77 5.947 -5.180 -18.478 1.00 0.00 C ATOM 0 H ILE A 77 2.770 -4.675 -17.809 1.00 0.00 H new ATOM 0 HA ILE A 77 3.452 -1.931 -17.210 1.00 0.00 H new ATOM 0 HB ILE A 77 4.335 -3.604 -19.535 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.930 -3.586 -17.023 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.479 -4.569 -17.019 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.380 -2.253 -19.322 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.943 -1.249 -19.629 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.632 -1.339 -17.991 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.426 -5.884 -17.798 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.230 -5.711 -19.104 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.703 -4.713 -19.109 1.00 0.00 H new ATOM 981 N LYS A 78 1.726 -2.643 -19.913 1.00 0.00 N ATOM 982 CA LYS A 78 0.857 -2.064 -20.924 1.00 0.00 C ATOM 983 C LYS A 78 -0.341 -1.401 -20.242 1.00 0.00 C ATOM 984 O LYS A 78 -0.904 -0.440 -20.764 1.00 0.00 O ATOM 985 CB LYS A 78 0.469 -3.117 -21.963 1.00 0.00 C ATOM 986 CG LYS A 78 -0.889 -3.739 -21.633 1.00 0.00 C ATOM 987 CD LYS A 78 -1.131 -5.002 -22.462 1.00 0.00 C ATOM 988 CE LYS A 78 -1.687 -4.652 -23.844 1.00 0.00 C ATOM 989 NZ LYS A 78 -0.584 -4.353 -24.785 1.00 0.00 N ATOM 0 H LYS A 78 1.833 -3.656 -19.971 1.00 0.00 H new ATOM 0 HA LYS A 78 1.381 -1.284 -21.476 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.433 -2.661 -22.952 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.231 -3.896 -21.998 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.933 -3.983 -20.572 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.681 -3.015 -21.827 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.198 -5.554 -22.571 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.830 -5.656 -21.940 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.282 -5.482 -24.224 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.352 -3.791 -23.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.432 -3.325 -24.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.287 -4.819 -24.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.831 -4.705 -25.732 1.00 0.00 H new ATOM 1003 N ASP A 79 -0.697 -1.942 -19.086 1.00 0.00 N ATOM 1004 CA ASP A 79 -1.819 -1.415 -18.327 1.00 0.00 C ATOM 1005 C ASP A 79 -1.453 -0.036 -17.776 1.00 0.00 C ATOM 1006 O ASP A 79 -2.200 0.926 -17.952 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.158 -2.323 -17.143 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.164 -3.434 -17.448 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -3.469 -3.717 -18.616 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -3.649 -4.030 -16.412 1.00 0.00 O ATOM 0 H ASP A 79 -0.228 -2.740 -18.656 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.679 -1.356 -18.994 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.237 -2.778 -16.778 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.553 -1.708 -16.334 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.303 0.018 -17.119 1.00 0.00 N ATOM 1017 CA ALA A 80 0.171 1.264 -16.541 1.00 0.00 C ATOM 1018 C ALA A 80 0.479 2.257 -17.663 1.00 0.00 C ATOM 1019 O ALA A 80 0.297 3.463 -17.497 1.00 0.00 O ATOM 1020 CB ALA A 80 1.389 0.986 -15.657 1.00 0.00 C ATOM 0 H ALA A 80 0.314 -0.781 -16.974 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.596 1.710 -15.908 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.745 1.921 -15.223 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.110 0.299 -14.859 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.181 0.541 -16.259 1.00 0.00 H new ATOM 1026 N TYR A 81 0.942 1.715 -18.780 1.00 0.00 N ATOM 1027 CA TYR A 81 1.277 2.539 -19.929 1.00 0.00 C ATOM 1028 C TYR A 81 0.030 3.216 -20.501 1.00 0.00 C ATOM 1029 O TYR A 81 0.002 4.434 -20.667 1.00 0.00 O ATOM 1030 CB TYR A 81 1.852 1.585 -20.978 1.00 0.00 C ATOM 1031 CG TYR A 81 3.335 1.262 -20.780 1.00 0.00 C ATOM 1032 CD1 TYR A 81 3.858 1.174 -19.506 1.00 0.00 C ATOM 1033 CD2 TYR A 81 4.149 1.059 -21.876 1.00 0.00 C ATOM 1034 CE1 TYR A 81 5.253 0.871 -19.320 1.00 0.00 C ATOM 1035 CE2 TYR A 81 5.544 0.756 -21.689 1.00 0.00 C ATOM 1036 CZ TYR A 81 6.027 0.676 -20.421 1.00 0.00 C ATOM 1037 OH TYR A 81 7.345 0.389 -20.245 1.00 0.00 O ATOM 0 H TYR A 81 1.093 0.715 -18.914 1.00 0.00 H new ATOM 0 HA TYR A 81 1.979 3.323 -19.647 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.283 0.656 -20.960 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.715 2.023 -21.967 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.221 1.332 -18.649 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.740 1.127 -22.873 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.675 0.800 -18.329 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.192 0.596 -22.538 1.00 0.00 H new ATOM 0 HH TYR A 81 7.465 -0.091 -19.399 1.00 0.00 H new ATOM 1047 N GLU A 82 -0.971 2.396 -20.786 1.00 0.00 N ATOM 1048 CA GLU A 82 -2.217 2.901 -21.336 1.00 0.00 C ATOM 1049 C GLU A 82 -2.967 3.722 -20.285 1.00 0.00 C ATOM 1050 O GLU A 82 -3.657 4.684 -20.620 1.00 0.00 O ATOM 1051 CB GLU A 82 -3.087 1.757 -21.862 1.00 0.00 C ATOM 1052 CG GLU A 82 -4.187 2.285 -22.785 1.00 0.00 C ATOM 1053 CD GLU A 82 -5.085 1.146 -23.274 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -5.359 0.204 -22.516 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -5.504 1.265 -24.488 1.00 0.00 O ATOM 0 H GLU A 82 -0.944 1.386 -20.646 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.983 3.552 -22.178 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.466 1.042 -22.402 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.535 1.222 -21.025 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.787 3.025 -22.255 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.738 2.792 -23.639 1.00 0.00 H new ATOM 1063 N SER A 83 -2.808 3.312 -19.036 1.00 0.00 N ATOM 1064 CA SER A 83 -3.461 3.997 -17.934 1.00 0.00 C ATOM 1065 C SER A 83 -3.002 5.456 -17.879 1.00 0.00 C ATOM 1066 O SER A 83 -3.822 6.365 -17.764 1.00 0.00 O ATOM 1067 CB SER A 83 -3.173 3.300 -16.603 1.00 0.00 C ATOM 1068 OG SER A 83 -3.385 4.165 -15.490 1.00 0.00 O ATOM 0 H SER A 83 -2.236 2.513 -18.762 1.00 0.00 H new ATOM 0 HA SER A 83 -4.537 3.967 -18.103 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.813 2.423 -16.507 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.142 2.945 -16.595 1.00 0.00 H new ATOM 0 HG SER A 83 -3.192 3.682 -14.659 1.00 0.00 H new ATOM 1074 N TYR A 84 -1.691 5.634 -17.964 1.00 0.00 N ATOM 1075 CA TYR A 84 -1.113 6.966 -17.925 1.00 0.00 C ATOM 1076 C TYR A 84 -0.936 7.528 -19.337 1.00 0.00 C ATOM 1077 O TYR A 84 -0.664 8.715 -19.507 1.00 0.00 O ATOM 1078 CB TYR A 84 0.263 6.810 -17.275 1.00 0.00 C ATOM 1079 CG TYR A 84 0.228 6.775 -15.746 1.00 0.00 C ATOM 1080 CD1 TYR A 84 0.091 7.948 -15.032 1.00 0.00 C ATOM 1081 CD2 TYR A 84 0.334 5.570 -15.081 1.00 0.00 C ATOM 1082 CE1 TYR A 84 0.059 7.914 -13.592 1.00 0.00 C ATOM 1083 CE2 TYR A 84 0.301 5.537 -13.642 1.00 0.00 C ATOM 1084 CZ TYR A 84 0.165 6.711 -12.968 1.00 0.00 C ATOM 1085 OH TYR A 84 0.134 6.680 -11.609 1.00 0.00 O ATOM 0 H TYR A 84 -1.013 4.878 -18.060 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.760 7.649 -17.375 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.723 5.891 -17.639 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.900 7.634 -17.595 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.008 8.891 -15.552 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.442 4.652 -15.640 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.047 8.824 -13.021 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.382 4.601 -13.109 1.00 0.00 H new ATOM 0 HH TYR A 84 0.219 5.754 -11.301 1.00 0.00 H new ATOM 1095 N CYS A 85 -1.097 6.648 -20.314 1.00 0.00 N ATOM 1096 CA CYS A 85 -0.959 7.041 -21.706 1.00 0.00 C ATOM 1097 C CYS A 85 -1.764 8.323 -21.926 1.00 0.00 C ATOM 1098 O CYS A 85 -2.845 8.486 -21.362 1.00 0.00 O ATOM 1099 CB CYS A 85 -1.395 5.924 -22.656 1.00 0.00 C ATOM 1100 SG CYS A 85 -1.593 6.585 -24.351 1.00 0.00 S ATOM 0 H CYS A 85 -1.322 5.664 -20.169 1.00 0.00 H new ATOM 0 HA CYS A 85 0.091 7.229 -21.930 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.655 5.124 -22.653 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.335 5.491 -22.314 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.961 5.628 -25.150 1.00 0.00 H new ATOM 1106 N GLY A 86 -1.206 9.202 -22.746 1.00 0.00 N ATOM 1107 CA GLY A 86 -1.859 10.464 -23.047 1.00 0.00 C ATOM 1108 C GLY A 86 -1.188 11.620 -22.300 1.00 0.00 C ATOM 1109 O GLY A 86 -1.589 12.773 -22.447 1.00 0.00 O ATOM 0 H GLY A 86 -0.309 9.065 -23.211 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.822 10.650 -24.120 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.911 10.409 -22.769 1.00 0.00 H new ATOM 1113 N ILE A 87 -0.179 11.269 -21.516 1.00 0.00 N ATOM 1114 CA ILE A 87 0.550 12.263 -20.747 1.00 0.00 C ATOM 1115 C ILE A 87 2.046 12.132 -21.042 1.00 0.00 C ATOM 1116 O ILE A 87 2.710 11.240 -20.517 1.00 0.00 O ATOM 1117 CB ILE A 87 0.205 12.149 -19.261 1.00 0.00 C ATOM 1118 CG1 ILE A 87 0.948 10.979 -18.613 1.00 0.00 C ATOM 1119 CG2 ILE A 87 -1.308 12.051 -19.056 1.00 0.00 C ATOM 1120 CD1 ILE A 87 0.255 10.536 -17.323 1.00 0.00 C ATOM 0 H ILE A 87 0.150 10.311 -21.397 1.00 0.00 H new ATOM 0 HA ILE A 87 0.252 13.269 -21.044 1.00 0.00 H new ATOM 0 HB ILE A 87 0.540 13.058 -18.762 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.995 10.143 -19.310 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.975 11.271 -18.396 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.526 11.971 -17.991 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.788 12.943 -19.459 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.689 11.169 -19.572 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.803 9.703 -16.883 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.231 11.368 -16.619 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.764 10.221 -17.547 1.00 0.00 H new ATOM 1132 N ASP A 88 2.532 13.035 -21.881 1.00 0.00 N ATOM 1133 CA ASP A 88 3.937 13.032 -22.252 1.00 0.00 C ATOM 1134 C ASP A 88 4.683 14.075 -21.417 1.00 0.00 C ATOM 1135 O ASP A 88 5.912 14.120 -21.428 1.00 0.00 O ATOM 1136 CB ASP A 88 4.117 13.392 -23.728 1.00 0.00 C ATOM 1137 CG ASP A 88 3.348 14.631 -24.191 1.00 0.00 C ATOM 1138 OD1 ASP A 88 2.198 14.857 -23.785 1.00 0.00 O ATOM 1139 OD2 ASP A 88 3.985 15.392 -25.014 1.00 0.00 O ATOM 0 H ASP A 88 1.978 13.774 -22.314 1.00 0.00 H new ATOM 0 HA ASP A 88 4.331 12.031 -22.074 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.178 13.549 -23.921 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.805 12.542 -24.334 1.00 0.00 H new ATOM 1145 N ASP A 89 3.908 14.887 -20.713 1.00 0.00 N ATOM 1146 CA ASP A 89 4.480 15.926 -19.874 1.00 0.00 C ATOM 1147 C ASP A 89 3.645 16.063 -18.599 1.00 0.00 C ATOM 1148 O ASP A 89 2.417 16.022 -18.649 1.00 0.00 O ATOM 1149 CB ASP A 89 4.474 17.278 -20.590 1.00 0.00 C ATOM 1150 CG ASP A 89 5.026 18.446 -19.771 1.00 0.00 C ATOM 1151 OD1 ASP A 89 5.744 18.248 -18.780 1.00 0.00 O ATOM 1152 OD2 ASP A 89 4.686 19.617 -20.193 1.00 0.00 O ATOM 0 H ASP A 89 2.889 14.846 -20.706 1.00 0.00 H new ATOM 0 HA ASP A 89 5.507 15.645 -19.643 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.057 17.189 -21.507 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.451 17.512 -20.884 1.00 0.00 H new ATOM 1158 N CYS A 90 4.346 16.222 -17.486 1.00 0.00 N ATOM 1159 CA CYS A 90 3.685 16.365 -16.200 1.00 0.00 C ATOM 1160 C CYS A 90 2.635 17.470 -16.319 1.00 0.00 C ATOM 1161 O CYS A 90 2.975 18.650 -16.395 1.00 0.00 O ATOM 1162 CB CYS A 90 4.686 16.648 -15.078 1.00 0.00 C ATOM 1163 SG CYS A 90 3.922 16.293 -13.453 1.00 0.00 S ATOM 0 H CYS A 90 5.365 16.255 -17.448 1.00 0.00 H new ATOM 0 HA CYS A 90 3.196 15.428 -15.934 1.00 0.00 H new ATOM 0 HB2 CYS A 90 5.577 16.035 -15.212 1.00 0.00 H new ATOM 0 HB3 CYS A 90 5.006 17.689 -15.119 1.00 0.00 H new ATOM 1168 N PRO A 91 1.345 17.039 -16.334 1.00 0.00 N ATOM 1169 CA PRO A 91 0.242 17.979 -16.443 1.00 0.00 C ATOM 1170 C PRO A 91 0.017 18.716 -15.121 1.00 0.00 C ATOM 1171 O PRO A 91 -0.246 19.918 -15.114 1.00 0.00 O ATOM 1172 CB PRO A 91 -0.951 17.137 -16.864 1.00 0.00 C ATOM 1173 CG PRO A 91 -0.589 15.701 -16.525 1.00 0.00 C ATOM 1174 CD PRO A 91 0.904 15.650 -16.246 1.00 0.00 C ATOM 0 HA PRO A 91 0.432 18.769 -17.170 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -1.853 17.447 -16.337 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.151 17.248 -17.930 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.152 15.361 -15.656 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.846 15.037 -17.351 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.109 15.231 -15.261 1.00 0.00 H new ATOM 0 HD3 PRO A 91 1.421 15.023 -16.972 1.00 0.00 H new ATOM 1182 N GLN A 92 0.129 17.966 -14.035 1.00 0.00 N ATOM 1183 CA GLN A 92 -0.059 18.533 -12.711 1.00 0.00 C ATOM 1184 C GLN A 92 0.914 19.693 -12.487 1.00 0.00 C ATOM 1185 O GLN A 92 0.575 20.673 -11.826 1.00 0.00 O ATOM 1186 CB GLN A 92 0.104 17.464 -11.628 1.00 0.00 C ATOM 1187 CG GLN A 92 1.475 16.791 -11.724 1.00 0.00 C ATOM 1188 CD GLN A 92 1.805 16.034 -10.436 1.00 0.00 C ATOM 1189 OE1 GLN A 92 1.837 16.590 -9.350 1.00 0.00 O ATOM 1190 NE2 GLN A 92 2.049 14.739 -10.616 1.00 0.00 N ATOM 0 H GLN A 92 0.348 16.970 -14.045 1.00 0.00 H new ATOM 0 HA GLN A 92 -1.076 18.919 -12.644 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.015 17.917 -10.644 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -0.681 16.715 -11.730 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.488 16.102 -12.569 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.241 17.543 -11.915 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.005 14.337 -11.552 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.280 14.148 -9.818 1.00 0.00 H new ATOM 1199 N CYS A 93 2.104 19.542 -13.051 1.00 0.00 N ATOM 1200 CA CYS A 93 3.128 20.565 -12.921 1.00 0.00 C ATOM 1201 C CYS A 93 2.772 21.723 -13.856 1.00 0.00 C ATOM 1202 O CYS A 93 3.029 22.883 -13.538 1.00 0.00 O ATOM 1203 CB CYS A 93 4.523 20.007 -13.209 1.00 0.00 C ATOM 1204 SG CYS A 93 5.282 19.389 -11.663 1.00 0.00 S ATOM 0 H CYS A 93 2.382 18.727 -13.599 1.00 0.00 H new ATOM 0 HA CYS A 93 3.157 20.926 -11.893 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.457 19.200 -13.939 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.151 20.783 -13.647 1.00 0.00 H new ATOM 1209 N SER A 94 2.186 21.367 -14.990 1.00 0.00 N ATOM 1210 CA SER A 94 1.792 22.362 -15.972 1.00 0.00 C ATOM 1211 C SER A 94 0.461 23.000 -15.567 1.00 0.00 C ATOM 1212 O SER A 94 0.048 24.003 -16.147 1.00 0.00 O ATOM 1213 CB SER A 94 1.681 21.745 -17.368 1.00 0.00 C ATOM 1214 OG SER A 94 2.927 21.220 -17.820 1.00 0.00 O ATOM 0 H SER A 94 1.975 20.404 -15.250 1.00 0.00 H new ATOM 0 HA SER A 94 2.562 23.133 -16.005 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.936 20.950 -17.355 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.329 22.500 -18.071 1.00 0.00 H new ATOM 0 HG SER A 94 3.087 20.349 -17.400 1.00 0.00 H new ATOM 1220 N LYS A 95 -0.172 22.391 -14.575 1.00 0.00 N ATOM 1221 CA LYS A 95 -1.447 22.887 -14.086 1.00 0.00 C ATOM 1222 C LYS A 95 -1.221 23.683 -12.799 1.00 0.00 C ATOM 1223 O LYS A 95 -1.993 24.584 -12.478 1.00 0.00 O ATOM 1224 CB LYS A 95 -2.445 21.738 -13.931 1.00 0.00 C ATOM 1225 CG LYS A 95 -3.725 22.212 -13.239 1.00 0.00 C ATOM 1226 CD LYS A 95 -4.331 23.412 -13.969 1.00 0.00 C ATOM 1227 CE LYS A 95 -5.852 23.444 -13.803 1.00 0.00 C ATOM 1228 NZ LYS A 95 -6.381 24.786 -14.133 1.00 0.00 N ATOM 0 H LYS A 95 0.174 21.559 -14.097 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.892 23.570 -14.809 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.688 21.328 -14.911 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.991 20.933 -13.352 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.449 21.398 -13.208 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.505 22.483 -12.206 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.900 24.334 -13.580 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.078 23.364 -15.028 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.310 22.697 -14.451 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.118 23.184 -12.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.414 24.790 -14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.957 25.492 -13.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.144 25.020 -15.118 1.00 0.00 H new ATOM 1242 N TYR A 96 -0.157 23.320 -12.097 1.00 0.00 N ATOM 1243 CA TYR A 96 0.181 23.989 -10.852 1.00 0.00 C ATOM 1244 C TYR A 96 1.698 24.103 -10.686 1.00 0.00 C ATOM 1245 O TYR A 96 2.447 23.275 -11.202 1.00 0.00 O ATOM 1246 CB TYR A 96 -0.378 23.107 -9.734 1.00 0.00 C ATOM 1247 CG TYR A 96 -0.550 23.831 -8.397 1.00 0.00 C ATOM 1248 CD1 TYR A 96 -1.557 24.760 -8.241 1.00 0.00 C ATOM 1249 CD2 TYR A 96 0.303 23.554 -7.348 1.00 0.00 C ATOM 1250 CE1 TYR A 96 -1.719 25.442 -6.983 1.00 0.00 C ATOM 1251 CE2 TYR A 96 0.140 24.235 -6.089 1.00 0.00 C ATOM 1252 CZ TYR A 96 -0.862 25.145 -5.969 1.00 0.00 C ATOM 1253 OH TYR A 96 -1.016 25.789 -4.781 1.00 0.00 O ATOM 0 H TYR A 96 0.482 22.572 -12.367 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.231 24.998 -10.834 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -1.343 22.710 -10.047 1.00 0.00 H new ATOM 0 HB3 TYR A 96 0.286 22.255 -9.591 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.224 24.976 -9.062 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.092 22.827 -7.471 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.503 26.173 -6.848 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.799 24.027 -5.259 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.335 25.477 -4.149 1.00 0.00 H new ATOM 1263 N ILE A 97 2.106 25.136 -9.962 1.00 0.00 N ATOM 1264 CA ILE A 97 3.519 25.369 -9.721 1.00 0.00 C ATOM 1265 C ILE A 97 3.754 25.546 -8.219 1.00 0.00 C ATOM 1266 O ILE A 97 3.031 26.290 -7.558 1.00 0.00 O ATOM 1267 CB ILE A 97 4.020 26.543 -10.564 1.00 0.00 C ATOM 1268 CG1 ILE A 97 5.540 26.684 -10.460 1.00 0.00 C ATOM 1269 CG2 ILE A 97 3.297 27.837 -10.187 1.00 0.00 C ATOM 1270 CD1 ILE A 97 6.059 27.752 -11.424 1.00 0.00 C ATOM 0 H ILE A 97 1.482 25.820 -9.535 1.00 0.00 H new ATOM 0 HA ILE A 97 4.106 24.507 -10.036 1.00 0.00 H new ATOM 0 HB ILE A 97 3.787 26.337 -11.609 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.815 26.946 -9.439 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.013 25.728 -10.682 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.672 28.656 -10.801 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.227 27.718 -10.355 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.476 28.061 -9.135 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.142 27.832 -11.330 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.803 27.474 -12.447 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.602 28.712 -11.184 1.00 0.00 H new ATOM 1282 N ASP A 98 4.767 24.850 -7.725 1.00 0.00 N ATOM 1283 CA ASP A 98 5.105 24.921 -6.313 1.00 0.00 C ATOM 1284 C ASP A 98 6.220 25.950 -6.112 1.00 0.00 C ATOM 1285 O ASP A 98 7.386 25.669 -6.387 1.00 0.00 O ATOM 1286 CB ASP A 98 5.609 23.572 -5.799 1.00 0.00 C ATOM 1287 CG ASP A 98 5.777 23.480 -4.281 1.00 0.00 C ATOM 1288 OD1 ASP A 98 5.307 22.527 -3.642 1.00 0.00 O ATOM 1289 OD2 ASP A 98 6.433 24.454 -3.746 1.00 0.00 O ATOM 0 H ASP A 98 5.365 24.234 -8.277 1.00 0.00 H new ATOM 0 HA ASP A 98 4.206 25.203 -5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.915 22.795 -6.120 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.568 23.356 -6.269 1.00 0.00 H new ATOM 1295 N ASP A 99 5.823 27.120 -5.634 1.00 0.00 N ATOM 1296 CA ASP A 99 6.774 28.192 -5.393 1.00 0.00 C ATOM 1297 C ASP A 99 7.450 27.972 -4.038 1.00 0.00 C ATOM 1298 O ASP A 99 6.778 27.875 -3.013 1.00 0.00 O ATOM 1299 CB ASP A 99 6.074 29.552 -5.357 1.00 0.00 C ATOM 1300 CG ASP A 99 5.787 30.167 -6.728 1.00 0.00 C ATOM 1301 OD1 ASP A 99 6.639 30.146 -7.629 1.00 0.00 O ATOM 1302 OD2 ASP A 99 4.616 30.693 -6.855 1.00 0.00 O ATOM 0 H ASP A 99 4.855 27.349 -5.407 1.00 0.00 H new ATOM 0 HA ASP A 99 7.504 28.184 -6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.132 29.445 -4.819 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.690 30.246 -4.786 1.00 0.00 H new TER 1308 ASP A 99 HETATM 1309 ZN ZN A 100 5.360 16.916 -11.539 1.00 0.00 ZN