USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 807 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 83 ASN : amide:sc= 0 K(o=-0.04,f=-1.2) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.0237 USER MOD Set 1.3: A 98 SER OG : rot 180:sc= -0.0639 USER MOD Set 2.1: A 73 SER OG : rot 69:sc= 1.19 USER MOD Set 2.2: A 82 HIS : no HE2:sc= -0.915 K(o=0.28,f=-3) USER MOD Set 3.1: A 70 LYS NZ :NH3+ -123:sc= -2.65! (180deg=-4.64!) USER MOD Set 3.2: A 72 GLN :FLIP amide:sc= -0.138 F(o=-3.7,f=-2.8) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= 0.0828 F(o=-0.79,f=0.083) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot -67:sc= 0.366 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 160:sc= -0.532 USER MOD Single : A 33 TYR OH : rot -15:sc= -4! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 37 SER OG : rot 38:sc= 0.31 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.27 USER MOD Single : A 40 HIS : no HE2:sc= -8.36! C(o=-8.4!,f=-8.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -27:sc= -3.3! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.267 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -4.12 K(o=-4.1,f=-8.3!) USER MOD Single : A 68 SER OG : rot -17:sc= 0.583! USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.894! C(o=-2.3!,f=-0.89!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -49:sc= -1.11! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 72:sc= 1.56 USER MOD Single : A 97 TYR OH : rot -123:sc= -3.86 USER MOD Single : A 100 ASN : amide:sc= -5.29! C(o=-5.3!,f=-18!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0.113 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -149:sc= -0.979 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 125 GLN : amide:sc= -1.43 K(o=-1.4,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 34.769 -1.173 2.113 1.00 0.00 N ATOM 2 CA ARG A 7 34.071 0.026 2.564 1.00 0.00 C ATOM 3 C ARG A 7 32.559 -0.158 2.477 1.00 0.00 C ATOM 4 O ARG A 7 32.056 -0.841 1.586 1.00 0.00 O ATOM 5 CB ARG A 7 34.497 1.234 1.728 1.00 0.00 C ATOM 6 CG ARG A 7 36.004 1.386 1.604 1.00 0.00 C ATOM 7 CD ARG A 7 36.553 2.356 2.638 1.00 0.00 C ATOM 8 NE ARG A 7 38.012 2.390 2.633 1.00 0.00 N ATOM 9 CZ ARG A 7 38.727 3.370 3.175 1.00 0.00 C ATOM 10 NH1 ARG A 7 38.118 4.391 3.763 1.00 0.00 N ATOM 11 NH2 ARG A 7 40.051 3.331 3.130 1.00 0.00 N ATOM 0 HA ARG A 7 34.338 0.200 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 7 34.066 1.146 0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 7 34.084 2.139 2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 7 36.480 0.413 1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 7 36.254 1.739 0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 7 36.166 3.355 2.439 1.00 0.00 H new ATOM 0 HD3 ARG A 7 36.200 2.069 3.628 1.00 0.00 H new ATOM 0 HE ARG A 7 38.510 1.619 2.189 1.00 0.00 H new ATOM 0 HH11 ARG A 7 37.099 4.425 3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 7 38.668 5.142 4.179 1.00 0.00 H new ATOM 0 HH21 ARG A 7 40.523 2.548 2.679 1.00 0.00 H new ATOM 0 HH22 ARG A 7 40.598 4.084 3.547 1.00 0.00 H new ATOM 25 N ARG A 8 31.841 0.463 3.407 1.00 0.00 N ATOM 26 CA ARG A 8 30.390 0.367 3.449 1.00 0.00 C ATOM 27 C ARG A 8 29.739 1.569 2.776 1.00 0.00 C ATOM 28 O ARG A 8 30.345 2.634 2.657 1.00 0.00 O ATOM 29 CB ARG A 8 29.921 0.269 4.900 1.00 0.00 C ATOM 30 CG ARG A 8 30.672 -0.770 5.714 1.00 0.00 C ATOM 31 CD ARG A 8 29.910 -1.144 6.975 1.00 0.00 C ATOM 32 NE ARG A 8 30.562 -0.640 8.178 1.00 0.00 N ATOM 33 CZ ARG A 8 30.039 -0.741 9.396 1.00 0.00 C ATOM 34 NH1 ARG A 8 28.862 -1.327 9.569 1.00 0.00 N ATOM 35 NH2 ARG A 8 30.693 -0.256 10.443 1.00 0.00 N ATOM 0 H ARG A 8 32.245 1.041 4.144 1.00 0.00 H new ATOM 0 HA ARG A 8 30.092 -0.530 2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 8 30.035 1.243 5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.858 0.030 4.914 1.00 0.00 H new ATOM 0 HG2 ARG A 8 30.835 -1.661 5.108 1.00 0.00 H new ATOM 0 HG3 ARG A 8 31.655 -0.383 5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 8 28.897 -0.746 6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 8 29.823 -2.229 7.037 1.00 0.00 H new ATOM 0 HE ARG A 8 31.469 -0.185 8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 8 28.356 -1.701 8.767 1.00 0.00 H new ATOM 0 HH12 ARG A 8 28.463 -1.403 10.505 1.00 0.00 H new ATOM 0 HH21 ARG A 8 31.599 0.195 10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 8 30.290 -0.334 11.377 1.00 0.00 H new ATOM 49 N CYS A 9 28.499 1.387 2.339 1.00 0.00 N ATOM 50 CA CYS A 9 27.741 2.454 1.704 1.00 0.00 C ATOM 51 C CYS A 9 27.379 3.515 2.744 1.00 0.00 C ATOM 52 O CYS A 9 27.711 3.366 3.920 1.00 0.00 O ATOM 53 CB CYS A 9 26.485 1.858 1.061 1.00 0.00 C ATOM 54 SG CYS A 9 26.832 0.555 -0.164 1.00 0.00 S ATOM 0 H CYS A 9 27.995 0.503 2.414 1.00 0.00 H new ATOM 0 HA CYS A 9 28.338 2.932 0.927 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.848 1.447 1.844 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.922 2.657 0.578 1.00 0.00 H new ATOM 59 N PRO A 10 26.746 4.629 2.335 1.00 0.00 N ATOM 60 CA PRO A 10 26.346 5.678 3.250 1.00 0.00 C ATOM 61 C PRO A 10 24.959 5.424 3.814 1.00 0.00 C ATOM 62 O PRO A 10 24.302 4.453 3.442 1.00 0.00 O ATOM 63 CB PRO A 10 26.350 6.925 2.367 1.00 0.00 C ATOM 64 CG PRO A 10 26.203 6.431 0.959 1.00 0.00 C ATOM 65 CD PRO A 10 26.275 4.925 0.984 1.00 0.00 C ATOM 0 HA PRO A 10 27.002 5.756 4.117 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.533 7.595 2.633 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.276 7.487 2.489 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.254 6.760 0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 10 26.992 6.840 0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 10 25.302 4.473 0.790 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.960 4.543 0.227 1.00 0.00 H new ATOM 73 N SER A 11 24.507 6.303 4.698 1.00 0.00 N ATOM 74 CA SER A 11 23.186 6.160 5.294 1.00 0.00 C ATOM 75 C SER A 11 22.129 5.969 4.208 1.00 0.00 C ATOM 76 O SER A 11 21.794 6.910 3.489 1.00 0.00 O ATOM 77 CB SER A 11 22.848 7.387 6.143 1.00 0.00 C ATOM 78 OG SER A 11 21.754 7.126 7.005 1.00 0.00 O ATOM 0 H SER A 11 25.032 7.118 5.017 1.00 0.00 H new ATOM 0 HA SER A 11 23.193 5.279 5.936 1.00 0.00 H new ATOM 0 HB2 SER A 11 23.718 7.676 6.732 1.00 0.00 H new ATOM 0 HB3 SER A 11 22.610 8.229 5.493 1.00 0.00 H new ATOM 0 HG SER A 11 21.559 7.925 7.538 1.00 0.00 H new ATOM 84 N PRO A 12 21.618 4.736 4.043 1.00 0.00 N ATOM 85 CA PRO A 12 20.618 4.440 3.021 1.00 0.00 C ATOM 86 C PRO A 12 19.496 5.466 2.995 1.00 0.00 C ATOM 87 O PRO A 12 19.290 6.203 3.959 1.00 0.00 O ATOM 88 CB PRO A 12 20.071 3.079 3.430 1.00 0.00 C ATOM 89 CG PRO A 12 21.160 2.435 4.218 1.00 0.00 C ATOM 90 CD PRO A 12 21.959 3.547 4.847 1.00 0.00 C ATOM 0 HA PRO A 12 21.051 4.457 2.021 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.164 3.183 4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.812 2.481 2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 12 20.747 1.776 4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 12 21.791 1.821 3.575 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.693 3.685 5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.028 3.337 4.814 1.00 0.00 H new ATOM 98 N ARG A 13 18.770 5.504 1.886 1.00 0.00 N ATOM 99 CA ARG A 13 17.638 6.403 1.752 1.00 0.00 C ATOM 100 C ARG A 13 16.586 6.063 2.787 1.00 0.00 C ATOM 101 O ARG A 13 16.809 5.228 3.661 1.00 0.00 O ATOM 102 CB ARG A 13 17.047 6.302 0.348 1.00 0.00 C ATOM 103 CG ARG A 13 17.372 7.496 -0.530 1.00 0.00 C ATOM 104 CD ARG A 13 16.217 7.824 -1.456 1.00 0.00 C ATOM 105 NE ARG A 13 16.130 9.253 -1.746 1.00 0.00 N ATOM 106 CZ ARG A 13 16.876 9.866 -2.659 1.00 0.00 C ATOM 107 NH1 ARG A 13 17.761 9.179 -3.368 1.00 0.00 N ATOM 108 NH2 ARG A 13 16.737 11.169 -2.864 1.00 0.00 N ATOM 0 H ARG A 13 18.947 4.922 1.067 1.00 0.00 H new ATOM 0 HA ARG A 13 17.978 7.426 1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.420 5.396 -0.131 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.964 6.200 0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.598 8.360 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.265 7.286 -1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.334 7.272 -2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.284 7.490 -1.002 1.00 0.00 H new ATOM 0 HE ARG A 13 15.459 9.811 -1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.871 8.177 -3.213 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.332 9.653 -4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.057 11.701 -2.321 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.310 11.639 -3.565 1.00 0.00 H new ATOM 122 N ASP A 14 15.446 6.718 2.688 1.00 0.00 N ATOM 123 CA ASP A 14 14.355 6.472 3.617 1.00 0.00 C ATOM 124 C ASP A 14 13.005 6.574 2.923 1.00 0.00 C ATOM 125 O ASP A 14 12.925 6.761 1.709 1.00 0.00 O ATOM 126 CB ASP A 14 14.411 7.458 4.783 1.00 0.00 C ATOM 127 CG ASP A 14 14.479 6.761 6.127 1.00 0.00 C ATOM 128 OD1 ASP A 14 15.128 7.305 7.046 1.00 0.00 O ATOM 129 OD2 ASP A 14 13.884 5.672 6.262 1.00 0.00 O ATOM 0 H ASP A 14 15.249 7.423 1.977 1.00 0.00 H new ATOM 0 HA ASP A 14 14.470 5.458 3.999 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.281 8.104 4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.531 8.101 4.754 1.00 0.00 H new ATOM 134 N ILE A 15 11.948 6.447 3.711 1.00 0.00 N ATOM 135 CA ILE A 15 10.589 6.527 3.195 1.00 0.00 C ATOM 136 C ILE A 15 9.659 7.155 4.229 1.00 0.00 C ATOM 137 O ILE A 15 9.815 6.939 5.430 1.00 0.00 O ATOM 138 CB ILE A 15 10.058 5.138 2.794 1.00 0.00 C ATOM 139 CG1 ILE A 15 8.719 5.267 2.066 1.00 0.00 C ATOM 140 CG2 ILE A 15 9.918 4.250 4.017 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.443 4.128 1.110 1.00 0.00 C ATOM 0 H ILE A 15 12.006 6.287 4.717 1.00 0.00 H new ATOM 0 HA ILE A 15 10.613 7.156 2.305 1.00 0.00 H new ATOM 0 HB ILE A 15 10.775 4.676 2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.917 5.316 2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.703 6.207 1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.542 3.272 3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.891 4.133 4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.221 4.706 4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.478 4.283 0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.225 4.092 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.427 3.187 1.660 1.00 0.00 H new ATOM 153 N ASP A 16 8.710 7.956 3.757 1.00 0.00 N ATOM 154 CA ASP A 16 7.789 8.658 4.644 1.00 0.00 C ATOM 155 C ASP A 16 6.745 7.720 5.243 1.00 0.00 C ATOM 156 O ASP A 16 6.649 7.585 6.462 1.00 0.00 O ATOM 157 CB ASP A 16 7.092 9.791 3.888 1.00 0.00 C ATOM 158 CG ASP A 16 6.315 10.710 4.810 1.00 0.00 C ATOM 159 OD1 ASP A 16 6.954 11.499 5.537 1.00 0.00 O ATOM 160 OD2 ASP A 16 5.068 10.640 4.805 1.00 0.00 O ATOM 0 H ASP A 16 8.558 8.136 2.764 1.00 0.00 H new ATOM 0 HA ASP A 16 8.377 9.069 5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.836 10.372 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.414 9.367 3.147 1.00 0.00 H new ATOM 165 N ASN A 17 5.944 7.099 4.385 1.00 0.00 N ATOM 166 CA ASN A 17 4.880 6.208 4.843 1.00 0.00 C ATOM 167 C ASN A 17 5.350 4.760 4.874 1.00 0.00 C ATOM 168 O ASN A 17 4.557 3.838 4.687 1.00 0.00 O ATOM 169 CB ASN A 17 3.639 6.323 3.947 1.00 0.00 C ATOM 170 CG ASN A 17 3.518 7.674 3.267 1.00 0.00 C ATOM 171 OD1 ASN A 17 4.248 7.850 2.173 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 2.782 8.549 3.723 1.00 0.00 N flip ATOM 0 H ASN A 17 6.009 7.194 3.372 1.00 0.00 H new ATOM 0 HA ASN A 17 4.617 6.515 5.855 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.674 5.542 3.187 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.747 6.144 4.547 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.239 8.369 4.567 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.716 9.454 3.257 1.00 0.00 H new ATOM 179 N GLY A 18 6.639 4.563 5.119 1.00 0.00 N ATOM 180 CA GLY A 18 7.181 3.218 5.167 1.00 0.00 C ATOM 181 C GLY A 18 8.321 3.076 6.158 1.00 0.00 C ATOM 182 O GLY A 18 8.737 4.051 6.783 1.00 0.00 O ATOM 0 H GLY A 18 7.317 5.307 5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.386 2.521 5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.532 2.938 4.174 1.00 0.00 H new ATOM 186 N GLN A 19 8.830 1.856 6.292 1.00 0.00 N ATOM 187 CA GLN A 19 9.943 1.578 7.193 1.00 0.00 C ATOM 188 C GLN A 19 10.965 0.675 6.511 1.00 0.00 C ATOM 189 O GLN A 19 10.609 -0.352 5.932 1.00 0.00 O ATOM 190 CB GLN A 19 9.442 0.918 8.481 1.00 0.00 C ATOM 191 CG GLN A 19 8.058 1.380 8.909 1.00 0.00 C ATOM 192 CD GLN A 19 7.952 1.590 10.406 1.00 0.00 C ATOM 193 OE1 GLN A 19 8.079 2.712 10.898 1.00 0.00 O ATOM 194 NE2 GLN A 19 7.720 0.509 11.141 1.00 0.00 N ATOM 0 H GLN A 19 8.487 1.040 5.785 1.00 0.00 H new ATOM 0 HA GLN A 19 10.420 2.524 7.448 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.427 -0.163 8.342 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.149 1.127 9.284 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.815 2.311 8.397 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.319 0.642 8.596 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.621 -0.402 10.692 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.640 0.589 12.155 1.00 0.00 H new ATOM 203 N LEU A 20 12.234 1.065 6.574 1.00 0.00 N ATOM 204 CA LEU A 20 13.295 0.300 5.938 1.00 0.00 C ATOM 205 C LEU A 20 13.759 -0.857 6.814 1.00 0.00 C ATOM 206 O LEU A 20 13.594 -0.836 8.033 1.00 0.00 O ATOM 207 CB LEU A 20 14.475 1.209 5.622 1.00 0.00 C ATOM 208 CG LEU A 20 14.315 2.035 4.350 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.506 2.946 4.165 1.00 0.00 C ATOM 210 CD2 LEU A 20 13.033 2.847 4.397 1.00 0.00 C ATOM 0 H LEU A 20 12.550 1.905 7.059 1.00 0.00 H new ATOM 0 HA LEU A 20 12.893 -0.117 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.631 1.886 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.374 0.599 5.533 1.00 0.00 H new ATOM 0 HG LEU A 20 14.259 1.353 3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.379 3.530 3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.586 3.619 5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.414 2.347 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.937 3.429 3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.180 2.175 4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 20 13.060 3.520 5.254 1.00 0.00 H new ATOM 222 N ASP A 21 14.354 -1.857 6.176 1.00 0.00 N ATOM 223 CA ASP A 21 14.874 -3.021 6.881 1.00 0.00 C ATOM 224 C ASP A 21 16.326 -3.268 6.488 1.00 0.00 C ATOM 225 O ASP A 21 16.617 -4.123 5.651 1.00 0.00 O ATOM 226 CB ASP A 21 14.027 -4.256 6.569 1.00 0.00 C ATOM 227 CG ASP A 21 13.696 -5.061 7.810 1.00 0.00 C ATOM 228 OD1 ASP A 21 13.765 -4.494 8.921 1.00 0.00 O ATOM 229 OD2 ASP A 21 13.367 -6.258 7.672 1.00 0.00 O ATOM 0 H ASP A 21 14.489 -1.885 5.165 1.00 0.00 H new ATOM 0 HA ASP A 21 14.827 -2.828 7.953 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.102 -3.945 6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.561 -4.889 5.861 1.00 0.00 H new ATOM 234 N ILE A 22 17.229 -2.488 7.073 1.00 0.00 N ATOM 235 CA ILE A 22 18.649 -2.587 6.757 1.00 0.00 C ATOM 236 C ILE A 22 19.258 -3.881 7.283 1.00 0.00 C ATOM 237 O ILE A 22 19.606 -3.985 8.459 1.00 0.00 O ATOM 238 CB ILE A 22 19.438 -1.389 7.324 1.00 0.00 C ATOM 239 CG1 ILE A 22 18.881 -0.078 6.769 1.00 0.00 C ATOM 240 CG2 ILE A 22 20.919 -1.516 6.994 1.00 0.00 C ATOM 241 CD1 ILE A 22 19.356 1.144 7.521 1.00 0.00 C ATOM 0 H ILE A 22 17.002 -1.779 7.770 1.00 0.00 H new ATOM 0 HA ILE A 22 18.722 -2.582 5.669 1.00 0.00 H new ATOM 0 HB ILE A 22 19.327 -1.386 8.408 1.00 0.00 H new ATOM 0 HG12 ILE A 22 19.168 0.015 5.722 1.00 0.00 H new ATOM 0 HG13 ILE A 22 17.792 -0.113 6.799 1.00 0.00 H new ATOM 0 HG21 ILE A 22 21.457 -0.661 7.403 1.00 0.00 H new ATOM 0 HG22 ILE A 22 21.312 -2.435 7.430 1.00 0.00 H new ATOM 0 HG23 ILE A 22 21.050 -1.543 5.912 1.00 0.00 H new ATOM 0 HD11 ILE A 22 18.922 2.038 7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 22 19.046 1.073 8.564 1.00 0.00 H new ATOM 0 HD13 ILE A 22 20.443 1.203 7.469 1.00 0.00 H new ATOM 253 N GLY A 23 19.416 -4.851 6.391 1.00 0.00 N ATOM 254 CA GLY A 23 20.043 -6.103 6.763 1.00 0.00 C ATOM 255 C GLY A 23 21.518 -6.122 6.407 1.00 0.00 C ATOM 256 O GLY A 23 22.136 -7.185 6.347 1.00 0.00 O ATOM 0 H GLY A 23 19.121 -4.792 5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 23 19.926 -6.264 7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 23 19.537 -6.927 6.260 1.00 0.00 H new ATOM 260 N GLY A 24 22.082 -4.938 6.163 1.00 0.00 N ATOM 261 CA GLY A 24 23.485 -4.841 5.805 1.00 0.00 C ATOM 262 C GLY A 24 23.768 -3.648 4.915 1.00 0.00 C ATOM 263 O GLY A 24 22.984 -3.331 4.020 1.00 0.00 O ATOM 0 H GLY A 24 21.590 -4.046 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 24 24.085 -4.766 6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 24 23.792 -5.754 5.294 1.00 0.00 H new ATOM 267 N VAL A 25 24.887 -2.978 5.169 1.00 0.00 N ATOM 268 CA VAL A 25 25.270 -1.805 4.394 1.00 0.00 C ATOM 269 C VAL A 25 26.657 -1.973 3.787 1.00 0.00 C ATOM 270 O VAL A 25 27.390 -1.001 3.606 1.00 0.00 O ATOM 271 CB VAL A 25 25.252 -0.533 5.260 1.00 0.00 C ATOM 272 CG1 VAL A 25 23.848 -0.258 5.775 1.00 0.00 C ATOM 273 CG2 VAL A 25 26.236 -0.662 6.411 1.00 0.00 C ATOM 0 H VAL A 25 25.545 -3.228 5.907 1.00 0.00 H new ATOM 0 HA VAL A 25 24.538 -1.703 3.593 1.00 0.00 H new ATOM 0 HB VAL A 25 25.558 0.312 4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 25 23.855 0.645 6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 25 23.171 -0.121 4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 25 23.510 -1.101 6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 25 26.211 0.246 7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 25 25.962 -1.516 7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.241 -0.808 6.016 1.00 0.00 H new ATOM 283 N ASP A 26 27.012 -3.213 3.474 1.00 0.00 N ATOM 284 CA ASP A 26 28.308 -3.507 2.873 1.00 0.00 C ATOM 285 C ASP A 26 28.166 -3.718 1.370 1.00 0.00 C ATOM 286 O ASP A 26 27.132 -4.189 0.897 1.00 0.00 O ATOM 287 CB ASP A 26 28.932 -4.747 3.518 1.00 0.00 C ATOM 288 CG ASP A 26 27.907 -5.818 3.840 1.00 0.00 C ATOM 289 OD1 ASP A 26 27.388 -5.820 4.976 1.00 0.00 O ATOM 290 OD2 ASP A 26 27.623 -6.654 2.957 1.00 0.00 O ATOM 0 H ASP A 26 26.422 -4.031 3.626 1.00 0.00 H new ATOM 0 HA ASP A 26 28.964 -2.654 3.047 1.00 0.00 H new ATOM 0 HB2 ASP A 26 29.685 -5.161 2.847 1.00 0.00 H new ATOM 0 HB3 ASP A 26 29.447 -4.455 4.434 1.00 0.00 H new ATOM 295 N PHE A 27 29.208 -3.366 0.622 1.00 0.00 N ATOM 296 CA PHE A 27 29.192 -3.522 -0.828 1.00 0.00 C ATOM 297 C PHE A 27 28.752 -4.929 -1.216 1.00 0.00 C ATOM 298 O PHE A 27 29.568 -5.848 -1.295 1.00 0.00 O ATOM 299 CB PHE A 27 30.575 -3.226 -1.413 1.00 0.00 C ATOM 300 CG PHE A 27 30.645 -3.371 -2.909 1.00 0.00 C ATOM 301 CD1 PHE A 27 31.835 -3.722 -3.527 1.00 0.00 C ATOM 302 CD2 PHE A 27 29.525 -3.151 -3.697 1.00 0.00 C ATOM 303 CE1 PHE A 27 31.906 -3.855 -4.901 1.00 0.00 C ATOM 304 CE2 PHE A 27 29.590 -3.284 -5.071 1.00 0.00 C ATOM 305 CZ PHE A 27 30.783 -3.635 -5.673 1.00 0.00 C ATOM 0 H PHE A 27 30.072 -2.972 0.995 1.00 0.00 H new ATOM 0 HA PHE A 27 28.476 -2.809 -1.237 1.00 0.00 H new ATOM 0 HB2 PHE A 27 30.864 -2.211 -1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 27 31.303 -3.897 -0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 27 32.717 -3.894 -2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 27 28.591 -2.872 -3.231 1.00 0.00 H new ATOM 0 HE1 PHE A 27 32.839 -4.131 -5.370 1.00 0.00 H new ATOM 0 HE2 PHE A 27 28.710 -3.114 -5.673 1.00 0.00 H new ATOM 0 HZ PHE A 27 30.837 -3.737 -6.747 1.00 0.00 H new ATOM 315 N GLY A 28 27.453 -5.091 -1.439 1.00 0.00 N ATOM 316 CA GLY A 28 26.918 -6.389 -1.795 1.00 0.00 C ATOM 317 C GLY A 28 25.701 -6.771 -0.968 1.00 0.00 C ATOM 318 O GLY A 28 25.113 -7.831 -1.181 1.00 0.00 O ATOM 0 H GLY A 28 26.761 -4.344 -1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 28 26.648 -6.389 -2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 28 27.693 -7.145 -1.664 1.00 0.00 H new ATOM 322 N SER A 29 25.321 -5.915 -0.019 1.00 0.00 N ATOM 323 CA SER A 29 24.162 -6.180 0.821 1.00 0.00 C ATOM 324 C SER A 29 22.900 -5.623 0.177 1.00 0.00 C ATOM 325 O SER A 29 22.929 -5.154 -0.961 1.00 0.00 O ATOM 326 CB SER A 29 24.358 -5.565 2.209 1.00 0.00 C ATOM 327 OG SER A 29 24.600 -4.172 2.119 1.00 0.00 O ATOM 0 H SER A 29 25.799 -5.037 0.184 1.00 0.00 H new ATOM 0 HA SER A 29 24.054 -7.259 0.927 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.472 -5.745 2.818 1.00 0.00 H new ATOM 0 HB3 SER A 29 25.195 -6.051 2.711 1.00 0.00 H new ATOM 0 HG SER A 29 25.466 -4.018 1.688 1.00 0.00 H new ATOM 333 N SER A 30 21.794 -5.674 0.907 1.00 0.00 N ATOM 334 CA SER A 30 20.527 -5.169 0.398 1.00 0.00 C ATOM 335 C SER A 30 19.600 -4.770 1.537 1.00 0.00 C ATOM 336 O SER A 30 19.707 -5.283 2.651 1.00 0.00 O ATOM 337 CB SER A 30 19.849 -6.222 -0.481 1.00 0.00 C ATOM 338 OG SER A 30 20.142 -7.532 -0.026 1.00 0.00 O ATOM 0 H SER A 30 21.749 -6.059 1.851 1.00 0.00 H new ATOM 0 HA SER A 30 20.736 -4.283 -0.202 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.770 -6.065 -0.476 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.183 -6.109 -1.512 1.00 0.00 H new ATOM 0 HG SER A 30 19.696 -8.186 -0.603 1.00 0.00 H new ATOM 344 N ILE A 31 18.691 -3.849 1.248 1.00 0.00 N ATOM 345 CA ILE A 31 17.739 -3.373 2.243 1.00 0.00 C ATOM 346 C ILE A 31 16.316 -3.743 1.840 1.00 0.00 C ATOM 347 O ILE A 31 16.063 -4.099 0.690 1.00 0.00 O ATOM 348 CB ILE A 31 17.820 -1.842 2.445 1.00 0.00 C ATOM 349 CG1 ILE A 31 19.186 -1.291 2.032 1.00 0.00 C ATOM 350 CG2 ILE A 31 17.549 -1.488 3.893 1.00 0.00 C ATOM 351 CD1 ILE A 31 19.217 0.219 1.965 1.00 0.00 C ATOM 0 H ILE A 31 18.592 -3.415 0.330 1.00 0.00 H new ATOM 0 HA ILE A 31 18.001 -3.857 3.184 1.00 0.00 H new ATOM 0 HB ILE A 31 17.061 -1.388 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 31 19.940 -1.633 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 31 19.457 -1.698 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 31 17.609 -0.407 4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.553 -1.831 4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 31 18.290 -1.971 4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 31 20.212 0.550 1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 31 18.486 0.566 1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.976 0.632 2.945 1.00 0.00 H new ATOM 363 N THR A 32 15.390 -3.656 2.789 1.00 0.00 N ATOM 364 CA THR A 32 13.996 -3.988 2.518 1.00 0.00 C ATOM 365 C THR A 32 13.073 -2.826 2.868 1.00 0.00 C ATOM 366 O THR A 32 13.019 -2.384 4.015 1.00 0.00 O ATOM 367 CB THR A 32 13.585 -5.236 3.302 1.00 0.00 C ATOM 368 OG1 THR A 32 14.727 -5.919 3.788 1.00 0.00 O ATOM 369 CG2 THR A 32 12.775 -6.217 2.483 1.00 0.00 C ATOM 0 H THR A 32 15.578 -3.360 3.747 1.00 0.00 H new ATOM 0 HA THR A 32 13.902 -4.188 1.451 1.00 0.00 H new ATOM 0 HB THR A 32 12.964 -4.873 4.121 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.467 -6.504 4.530 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.516 -7.079 3.099 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.863 -5.733 2.134 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.362 -6.547 1.626 1.00 0.00 H new ATOM 377 N TYR A 33 12.342 -2.343 1.869 1.00 0.00 N ATOM 378 CA TYR A 33 11.420 -1.233 2.059 1.00 0.00 C ATOM 379 C TYR A 33 9.994 -1.730 2.259 1.00 0.00 C ATOM 380 O TYR A 33 9.524 -2.609 1.537 1.00 0.00 O ATOM 381 CB TYR A 33 11.477 -0.298 0.853 1.00 0.00 C ATOM 382 CG TYR A 33 12.544 0.760 0.972 1.00 0.00 C ATOM 383 CD1 TYR A 33 13.875 0.465 0.705 1.00 0.00 C ATOM 384 CD2 TYR A 33 12.223 2.048 1.372 1.00 0.00 C ATOM 385 CE1 TYR A 33 14.855 1.432 0.818 1.00 0.00 C ATOM 386 CE2 TYR A 33 13.197 3.021 1.491 1.00 0.00 C ATOM 387 CZ TYR A 33 14.511 2.709 1.213 1.00 0.00 C ATOM 388 OH TYR A 33 15.483 3.675 1.330 1.00 0.00 O ATOM 0 H TYR A 33 12.372 -2.706 0.916 1.00 0.00 H new ATOM 0 HA TYR A 33 11.721 -0.691 2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.657 -0.887 -0.047 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.508 0.185 0.730 1.00 0.00 H new ATOM 0 HD1 TYR A 33 14.148 -0.536 0.404 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.195 2.295 1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 33 15.884 1.190 0.599 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.930 4.021 1.800 1.00 0.00 H new ATOM 0 HH TYR A 33 16.367 3.251 1.336 1.00 0.00 H new ATOM 398 N SER A 34 9.308 -1.155 3.240 1.00 0.00 N ATOM 399 CA SER A 34 7.932 -1.535 3.530 1.00 0.00 C ATOM 400 C SER A 34 7.116 -0.320 3.953 1.00 0.00 C ATOM 401 O SER A 34 7.669 0.690 4.384 1.00 0.00 O ATOM 402 CB SER A 34 7.895 -2.599 4.628 1.00 0.00 C ATOM 403 OG SER A 34 7.201 -3.757 4.194 1.00 0.00 O ATOM 0 H SER A 34 9.682 -0.425 3.847 1.00 0.00 H new ATOM 0 HA SER A 34 7.493 -1.949 2.622 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.912 -2.867 4.914 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.411 -2.193 5.516 1.00 0.00 H new ATOM 0 HG SER A 34 7.193 -4.422 4.913 1.00 0.00 H new ATOM 409 N CYS A 35 5.799 -0.419 3.821 1.00 0.00 N ATOM 410 CA CYS A 35 4.914 0.675 4.195 1.00 0.00 C ATOM 411 C CYS A 35 4.760 0.751 5.710 1.00 0.00 C ATOM 412 O CYS A 35 5.162 -0.162 6.431 1.00 0.00 O ATOM 413 CB CYS A 35 3.545 0.496 3.539 1.00 0.00 C ATOM 414 SG CYS A 35 3.413 1.229 1.875 1.00 0.00 S ATOM 0 H CYS A 35 5.322 -1.244 3.458 1.00 0.00 H new ATOM 0 HA CYS A 35 5.357 1.607 3.845 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.322 -0.569 3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.786 0.942 4.181 1.00 0.00 H new ATOM 419 N ASN A 36 4.183 1.848 6.190 1.00 0.00 N ATOM 420 CA ASN A 36 3.984 2.040 7.622 1.00 0.00 C ATOM 421 C ASN A 36 3.032 0.991 8.184 1.00 0.00 C ATOM 422 O ASN A 36 3.463 -0.014 8.750 1.00 0.00 O ATOM 423 CB ASN A 36 3.438 3.442 7.900 1.00 0.00 C ATOM 424 CG ASN A 36 4.462 4.340 8.567 1.00 0.00 C ATOM 425 OD1 ASN A 36 5.646 4.433 7.972 1.00 0.00 O flip ATOM 426 ND2 ASN A 36 4.192 4.945 9.605 1.00 0.00 N flip ATOM 0 H ASN A 36 3.846 2.616 5.610 1.00 0.00 H new ATOM 0 HA ASN A 36 4.950 1.930 8.115 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.116 3.896 6.963 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.556 3.366 8.536 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.270 4.845 10.028 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.891 5.546 10.041 1.00 0.00 H new ATOM 433 N SER A 37 1.735 1.231 8.022 1.00 0.00 N ATOM 434 CA SER A 37 0.720 0.306 8.510 1.00 0.00 C ATOM 435 C SER A 37 -0.595 0.505 7.768 1.00 0.00 C ATOM 436 O SER A 37 -1.051 1.633 7.584 1.00 0.00 O ATOM 437 CB SER A 37 0.508 0.495 10.014 1.00 0.00 C ATOM 438 OG SER A 37 1.304 -0.409 10.760 1.00 0.00 O ATOM 0 H SER A 37 1.362 2.059 7.556 1.00 0.00 H new ATOM 0 HA SER A 37 1.069 -0.710 8.326 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.757 1.519 10.293 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.544 0.344 10.258 1.00 0.00 H new ATOM 0 HG SER A 37 2.175 -0.516 10.323 1.00 0.00 H new ATOM 444 N GLY A 38 -1.200 -0.598 7.340 1.00 0.00 N ATOM 445 CA GLY A 38 -2.450 -0.518 6.611 1.00 0.00 C ATOM 446 C GLY A 38 -2.290 0.189 5.281 1.00 0.00 C ATOM 447 O GLY A 38 -3.247 0.741 4.743 1.00 0.00 O ATOM 0 H GLY A 38 -0.847 -1.544 7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.836 -1.523 6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.188 0.010 7.215 1.00 0.00 H new ATOM 451 N TYR A 39 -1.068 0.187 4.759 1.00 0.00 N ATOM 452 CA TYR A 39 -0.775 0.839 3.487 1.00 0.00 C ATOM 453 C TYR A 39 -0.369 -0.183 2.435 1.00 0.00 C ATOM 454 O TYR A 39 -0.300 -1.380 2.713 1.00 0.00 O ATOM 455 CB TYR A 39 0.351 1.857 3.666 1.00 0.00 C ATOM 456 CG TYR A 39 -0.134 3.243 4.004 1.00 0.00 C ATOM 457 CD1 TYR A 39 -1.253 3.425 4.804 1.00 0.00 C ATOM 458 CD2 TYR A 39 0.536 4.368 3.541 1.00 0.00 C ATOM 459 CE1 TYR A 39 -1.705 4.689 5.117 1.00 0.00 C ATOM 460 CE2 TYR A 39 0.094 5.638 3.855 1.00 0.00 C ATOM 461 CZ TYR A 39 -1.028 5.794 4.643 1.00 0.00 C ATOM 462 OH TYR A 39 -1.474 7.057 4.957 1.00 0.00 O ATOM 0 H TYR A 39 -0.263 -0.260 5.198 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.679 1.348 3.152 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.018 1.512 4.456 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.939 1.901 2.749 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.778 2.563 5.187 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.416 4.248 2.926 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.585 4.814 5.730 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.623 6.504 3.486 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.885 7.724 4.546 1.00 0.00 H new ATOM 472 N HIS A 40 -0.080 0.296 1.229 1.00 0.00 N ATOM 473 CA HIS A 40 0.359 -0.581 0.155 1.00 0.00 C ATOM 474 C HIS A 40 1.533 0.037 -0.594 1.00 0.00 C ATOM 475 O HIS A 40 1.398 1.078 -1.236 1.00 0.00 O ATOM 476 CB HIS A 40 -0.795 -0.895 -0.804 1.00 0.00 C ATOM 477 CG HIS A 40 -1.148 0.222 -1.737 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.331 0.038 -3.093 1.00 0.00 N ATOM 479 CD2 HIS A 40 -1.379 1.536 -1.505 1.00 0.00 C ATOM 480 CE1 HIS A 40 -1.649 1.193 -3.654 1.00 0.00 C ATOM 481 NE2 HIS A 40 -1.681 2.116 -2.712 1.00 0.00 N ATOM 0 H HIS A 40 -0.142 1.282 0.974 1.00 0.00 H new ATOM 0 HA HIS A 40 0.691 -1.520 0.598 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.533 -1.774 -1.393 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.677 -1.155 -0.218 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -1.236 -0.850 -3.585 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.334 2.035 -0.548 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.848 1.353 -4.703 1.00 0.00 H new ATOM 490 N LEU A 41 2.696 -0.589 -0.463 1.00 0.00 N ATOM 491 CA LEU A 41 3.905 -0.114 -1.120 1.00 0.00 C ATOM 492 C LEU A 41 3.899 -0.515 -2.588 1.00 0.00 C ATOM 493 O LEU A 41 3.751 -1.692 -2.918 1.00 0.00 O ATOM 494 CB LEU A 41 5.141 -0.688 -0.420 1.00 0.00 C ATOM 495 CG LEU A 41 6.471 -0.454 -1.139 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.630 -0.551 -0.157 1.00 0.00 C ATOM 497 CD2 LEU A 41 6.646 -1.450 -2.274 1.00 0.00 C ATOM 0 H LEU A 41 2.827 -1.432 0.096 1.00 0.00 H new ATOM 0 HA LEU A 41 3.936 0.974 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.206 -0.255 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.000 -1.761 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 41 6.463 0.550 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.569 -0.382 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.511 0.202 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.641 -1.543 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.597 -1.268 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.634 -2.464 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.832 -1.333 -2.989 1.00 0.00 H new ATOM 509 N ILE A 42 4.029 0.468 -3.470 1.00 0.00 N ATOM 510 CA ILE A 42 4.019 0.198 -4.903 1.00 0.00 C ATOM 511 C ILE A 42 5.432 0.177 -5.465 1.00 0.00 C ATOM 512 O ILE A 42 6.337 0.820 -4.933 1.00 0.00 O ATOM 513 CB ILE A 42 3.173 1.220 -5.693 1.00 0.00 C ATOM 514 CG1 ILE A 42 2.032 1.763 -4.830 1.00 0.00 C ATOM 515 CG2 ILE A 42 2.617 0.570 -6.948 1.00 0.00 C ATOM 516 CD1 ILE A 42 1.170 0.675 -4.232 1.00 0.00 C ATOM 0 H ILE A 42 4.142 1.451 -3.222 1.00 0.00 H new ATOM 0 HA ILE A 42 3.562 -0.784 -5.023 1.00 0.00 H new ATOM 0 HB ILE A 42 3.814 2.055 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.449 2.370 -4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.408 2.421 -5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.021 1.296 -7.501 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.440 0.224 -7.574 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.990 -0.278 -6.672 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.380 1.126 -3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.725 0.083 -5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.783 0.031 -3.601 1.00 0.00 H new ATOM 528 N GLY A 43 5.612 -0.579 -6.538 1.00 0.00 N ATOM 529 CA GLY A 43 6.920 -0.694 -7.156 1.00 0.00 C ATOM 530 C GLY A 43 7.792 -1.721 -6.460 1.00 0.00 C ATOM 531 O GLY A 43 7.318 -2.796 -6.091 1.00 0.00 O ATOM 0 H GLY A 43 4.875 -1.117 -6.994 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.802 -0.970 -8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.417 0.276 -7.135 1.00 0.00 H new ATOM 535 N GLU A 44 9.066 -1.391 -6.271 1.00 0.00 N ATOM 536 CA GLU A 44 9.992 -2.294 -5.603 1.00 0.00 C ATOM 537 C GLU A 44 9.870 -2.172 -4.091 1.00 0.00 C ATOM 538 O GLU A 44 9.041 -1.419 -3.582 1.00 0.00 O ATOM 539 CB GLU A 44 11.427 -1.990 -6.022 1.00 0.00 C ATOM 540 CG GLU A 44 11.806 -0.532 -5.842 1.00 0.00 C ATOM 541 CD GLU A 44 12.391 0.080 -7.099 1.00 0.00 C ATOM 542 OE1 GLU A 44 12.862 -0.683 -7.969 1.00 0.00 O ATOM 543 OE2 GLU A 44 12.376 1.324 -7.216 1.00 0.00 O ATOM 0 H GLU A 44 9.478 -0.507 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 44 9.738 -3.312 -5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.108 -2.610 -5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.560 -2.267 -7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.924 0.034 -5.544 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.529 -0.446 -5.031 1.00 0.00 H new ATOM 550 N SER A 45 10.730 -2.890 -3.383 1.00 0.00 N ATOM 551 CA SER A 45 10.718 -2.890 -1.935 1.00 0.00 C ATOM 552 C SER A 45 12.071 -3.285 -1.368 1.00 0.00 C ATOM 553 O SER A 45 12.164 -3.735 -0.226 1.00 0.00 O ATOM 554 CB SER A 45 9.671 -3.874 -1.442 1.00 0.00 C ATOM 555 OG SER A 45 9.682 -5.061 -2.216 1.00 0.00 O ATOM 0 H SER A 45 11.449 -3.484 -3.796 1.00 0.00 H new ATOM 0 HA SER A 45 10.485 -1.880 -1.599 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.859 -4.116 -0.396 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.684 -3.414 -1.490 1.00 0.00 H new ATOM 0 HG SER A 45 9.000 -5.679 -1.878 1.00 0.00 H new ATOM 561 N LYS A 46 13.118 -3.138 -2.166 1.00 0.00 N ATOM 562 CA LYS A 46 14.449 -3.523 -1.722 1.00 0.00 C ATOM 563 C LYS A 46 15.538 -2.648 -2.332 1.00 0.00 C ATOM 564 O LYS A 46 15.509 -2.328 -3.520 1.00 0.00 O ATOM 565 CB LYS A 46 14.707 -4.987 -2.068 1.00 0.00 C ATOM 566 CG LYS A 46 14.746 -5.899 -0.856 1.00 0.00 C ATOM 567 CD LYS A 46 14.303 -7.310 -1.205 1.00 0.00 C ATOM 568 CE LYS A 46 15.472 -8.282 -1.186 1.00 0.00 C ATOM 569 NZ LYS A 46 15.019 -9.698 -1.270 1.00 0.00 N ATOM 0 H LYS A 46 13.074 -2.760 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 46 14.485 -3.383 -0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.929 -5.334 -2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.654 -5.064 -2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.758 -5.924 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.100 -5.496 -0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.543 -7.640 -0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.841 -7.314 -2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.139 -8.064 -2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.048 -8.139 -0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.846 -10.329 -1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.403 -9.914 -0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.491 -9.842 -2.154 1.00 0.00 H new ATOM 583 N SER A 47 16.516 -2.301 -1.503 1.00 0.00 N ATOM 584 CA SER A 47 17.658 -1.499 -1.927 1.00 0.00 C ATOM 585 C SER A 47 18.903 -2.367 -1.992 1.00 0.00 C ATOM 586 O SER A 47 19.058 -3.288 -1.189 1.00 0.00 O ATOM 587 CB SER A 47 17.879 -0.355 -0.938 1.00 0.00 C ATOM 588 OG SER A 47 18.153 0.862 -1.599 1.00 0.00 O ATOM 0 H SER A 47 16.540 -2.567 -0.519 1.00 0.00 H new ATOM 0 HA SER A 47 17.458 -1.087 -2.916 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.994 -0.238 -0.313 1.00 0.00 H new ATOM 0 HB3 SER A 47 18.707 -0.603 -0.274 1.00 0.00 H new ATOM 0 HG SER A 47 18.566 0.676 -2.468 1.00 0.00 H new ATOM 594 N TYR A 48 19.792 -2.099 -2.945 1.00 0.00 N ATOM 595 CA TYR A 48 21.010 -2.919 -3.041 1.00 0.00 C ATOM 596 C TYR A 48 22.278 -2.084 -2.966 1.00 0.00 C ATOM 597 O TYR A 48 22.531 -1.227 -3.810 1.00 0.00 O ATOM 598 CB TYR A 48 21.022 -3.786 -4.305 1.00 0.00 C ATOM 599 CG TYR A 48 19.648 -4.197 -4.763 1.00 0.00 C ATOM 600 CD1 TYR A 48 19.171 -3.835 -6.014 1.00 0.00 C ATOM 601 CD2 TYR A 48 18.830 -4.952 -3.939 1.00 0.00 C ATOM 602 CE1 TYR A 48 17.912 -4.213 -6.433 1.00 0.00 C ATOM 603 CE2 TYR A 48 17.569 -5.337 -4.347 1.00 0.00 C ATOM 604 CZ TYR A 48 17.113 -4.965 -5.596 1.00 0.00 C ATOM 605 OH TYR A 48 15.857 -5.345 -6.008 1.00 0.00 O ATOM 0 H TYR A 48 19.706 -1.355 -3.637 1.00 0.00 H new ATOM 0 HA TYR A 48 20.993 -3.579 -2.174 1.00 0.00 H new ATOM 0 HB2 TYR A 48 21.515 -3.238 -5.108 1.00 0.00 H new ATOM 0 HB3 TYR A 48 21.617 -4.680 -4.117 1.00 0.00 H new ATOM 0 HD1 TYR A 48 19.795 -3.248 -6.671 1.00 0.00 H new ATOM 0 HD2 TYR A 48 19.185 -5.244 -2.962 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.554 -3.922 -7.410 1.00 0.00 H new ATOM 0 HE2 TYR A 48 16.943 -5.926 -3.693 1.00 0.00 H new ATOM 0 HH TYR A 48 15.426 -5.870 -5.302 1.00 0.00 H new ATOM 615 N CYS A 49 23.088 -2.380 -1.958 1.00 0.00 N ATOM 616 CA CYS A 49 24.354 -1.688 -1.759 1.00 0.00 C ATOM 617 C CYS A 49 25.360 -2.099 -2.825 1.00 0.00 C ATOM 618 O CYS A 49 26.018 -3.133 -2.709 1.00 0.00 O ATOM 619 CB CYS A 49 24.909 -1.995 -0.366 1.00 0.00 C ATOM 620 SG CYS A 49 26.607 -1.398 -0.083 1.00 0.00 S ATOM 0 H CYS A 49 22.889 -3.099 -1.262 1.00 0.00 H new ATOM 0 HA CYS A 49 24.179 -0.615 -1.842 1.00 0.00 H new ATOM 0 HB2 CYS A 49 24.251 -1.549 0.380 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.885 -3.073 -0.208 1.00 0.00 H new ATOM 625 N GLU A 50 25.467 -1.287 -3.867 1.00 0.00 N ATOM 626 CA GLU A 50 26.385 -1.572 -4.962 1.00 0.00 C ATOM 627 C GLU A 50 27.354 -0.416 -5.183 1.00 0.00 C ATOM 628 O GLU A 50 27.379 0.544 -4.413 1.00 0.00 O ATOM 629 CB GLU A 50 25.607 -1.852 -6.250 1.00 0.00 C ATOM 630 CG GLU A 50 25.720 -3.291 -6.725 1.00 0.00 C ATOM 631 CD GLU A 50 24.421 -3.819 -7.303 1.00 0.00 C ATOM 632 OE1 GLU A 50 24.318 -3.910 -8.545 1.00 0.00 O ATOM 633 OE2 GLU A 50 23.508 -4.142 -6.515 1.00 0.00 O ATOM 0 H GLU A 50 24.931 -0.427 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 50 26.962 -2.457 -4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 50 24.556 -1.612 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 50 25.969 -1.189 -7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 50 26.504 -3.360 -7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 50 26.025 -3.922 -5.890 1.00 0.00 H new ATOM 640 N LEU A 51 28.153 -0.521 -6.239 1.00 0.00 N ATOM 641 CA LEU A 51 29.129 0.510 -6.566 1.00 0.00 C ATOM 642 C LEU A 51 28.572 1.481 -7.601 1.00 0.00 C ATOM 643 O LEU A 51 27.702 1.125 -8.396 1.00 0.00 O ATOM 644 CB LEU A 51 30.418 -0.128 -7.086 1.00 0.00 C ATOM 645 CG LEU A 51 30.320 -0.722 -8.490 1.00 0.00 C ATOM 646 CD1 LEU A 51 29.884 -2.178 -8.425 1.00 0.00 C ATOM 647 CD2 LEU A 51 31.648 -0.591 -9.219 1.00 0.00 C ATOM 0 H LEU A 51 28.143 -1.311 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 51 29.349 1.069 -5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 51 31.207 0.624 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 51 30.722 -0.914 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 51 29.567 -0.165 -9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 51 29.820 -2.584 -9.435 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.611 -2.750 -7.849 1.00 0.00 H new ATOM 0 HD13 LEU A 51 28.908 -2.244 -7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 51 31.559 -1.020 -10.217 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.917 0.462 -9.299 1.00 0.00 H new ATOM 0 HD23 LEU A 51 32.422 -1.122 -8.664 1.00 0.00 H new ATOM 659 N GLY A 52 29.082 2.708 -7.589 1.00 0.00 N ATOM 660 CA GLY A 52 28.626 3.710 -8.533 1.00 0.00 C ATOM 661 C GLY A 52 29.144 3.464 -9.936 1.00 0.00 C ATOM 662 O GLY A 52 29.023 2.359 -10.465 1.00 0.00 O ATOM 0 H GLY A 52 29.803 3.026 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 52 27.536 3.721 -8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 52 28.950 4.695 -8.197 1.00 0.00 H new ATOM 666 N SER A 53 29.726 4.495 -10.539 1.00 0.00 N ATOM 667 CA SER A 53 30.265 4.386 -11.889 1.00 0.00 C ATOM 668 C SER A 53 31.781 4.552 -11.886 1.00 0.00 C ATOM 669 O SER A 53 32.485 3.941 -12.690 1.00 0.00 O ATOM 670 CB SER A 53 29.630 5.438 -12.800 1.00 0.00 C ATOM 671 OG SER A 53 29.915 5.174 -14.162 1.00 0.00 O ATOM 0 H SER A 53 29.836 5.416 -10.114 1.00 0.00 H new ATOM 0 HA SER A 53 30.026 3.392 -12.268 1.00 0.00 H new ATOM 0 HB2 SER A 53 28.551 5.452 -12.647 1.00 0.00 H new ATOM 0 HB3 SER A 53 30.002 6.427 -12.533 1.00 0.00 H new ATOM 0 HG SER A 53 29.496 5.860 -14.723 1.00 0.00 H new ATOM 677 N THR A 54 32.278 5.384 -10.976 1.00 0.00 N ATOM 678 CA THR A 54 33.711 5.630 -10.866 1.00 0.00 C ATOM 679 C THR A 54 34.317 4.811 -9.732 1.00 0.00 C ATOM 680 O THR A 54 35.259 5.249 -9.071 1.00 0.00 O ATOM 681 CB THR A 54 33.976 7.119 -10.633 1.00 0.00 C ATOM 682 OG1 THR A 54 33.288 7.575 -9.481 1.00 0.00 O ATOM 683 CG2 THR A 54 33.558 7.992 -11.796 1.00 0.00 C ATOM 0 H THR A 54 31.709 5.899 -10.304 1.00 0.00 H new ATOM 0 HA THR A 54 34.181 5.326 -11.801 1.00 0.00 H new ATOM 0 HB THR A 54 35.055 7.205 -10.508 1.00 0.00 H new ATOM 0 HG1 THR A 54 33.471 8.528 -9.347 1.00 0.00 H new ATOM 0 HG21 THR A 54 33.774 9.035 -11.564 1.00 0.00 H new ATOM 0 HG22 THR A 54 34.109 7.697 -12.689 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.489 7.874 -11.974 1.00 0.00 H new ATOM 691 N GLY A 55 33.771 3.619 -9.511 1.00 0.00 N ATOM 692 CA GLY A 55 34.269 2.760 -8.453 1.00 0.00 C ATOM 693 C GLY A 55 33.929 3.286 -7.073 1.00 0.00 C ATOM 694 O GLY A 55 34.634 3.004 -6.103 1.00 0.00 O ATOM 0 H GLY A 55 32.993 3.233 -10.046 1.00 0.00 H new ATOM 0 HA2 GLY A 55 33.849 1.761 -8.572 1.00 0.00 H new ATOM 0 HA3 GLY A 55 35.351 2.664 -8.546 1.00 0.00 H new ATOM 698 N SER A 56 32.848 4.053 -6.985 1.00 0.00 N ATOM 699 CA SER A 56 32.415 4.622 -5.714 1.00 0.00 C ATOM 700 C SER A 56 31.379 3.727 -5.042 1.00 0.00 C ATOM 701 O SER A 56 31.251 2.549 -5.375 1.00 0.00 O ATOM 702 CB SER A 56 31.833 6.020 -5.930 1.00 0.00 C ATOM 703 OG SER A 56 31.873 6.780 -4.734 1.00 0.00 O ATOM 0 H SER A 56 32.255 4.295 -7.779 1.00 0.00 H new ATOM 0 HA SER A 56 33.285 4.694 -5.061 1.00 0.00 H new ATOM 0 HB2 SER A 56 32.394 6.534 -6.710 1.00 0.00 H new ATOM 0 HB3 SER A 56 30.803 5.939 -6.279 1.00 0.00 H new ATOM 0 HG SER A 56 31.497 7.670 -4.899 1.00 0.00 H new ATOM 709 N MET A 57 30.646 4.294 -4.091 1.00 0.00 N ATOM 710 CA MET A 57 29.615 3.557 -3.376 1.00 0.00 C ATOM 711 C MET A 57 28.246 4.175 -3.627 1.00 0.00 C ATOM 712 O MET A 57 28.116 5.393 -3.754 1.00 0.00 O ATOM 713 CB MET A 57 29.912 3.542 -1.876 1.00 0.00 C ATOM 714 CG MET A 57 31.355 3.199 -1.543 1.00 0.00 C ATOM 715 SD MET A 57 31.603 1.434 -1.270 1.00 0.00 S ATOM 716 CE MET A 57 33.060 1.137 -2.268 1.00 0.00 C ATOM 0 H MET A 57 30.748 5.265 -3.798 1.00 0.00 H new ATOM 0 HA MET A 57 29.611 2.531 -3.745 1.00 0.00 H new ATOM 0 HB2 MET A 57 29.674 4.520 -1.458 1.00 0.00 H new ATOM 0 HB3 MET A 57 29.255 2.820 -1.392 1.00 0.00 H new ATOM 0 HG2 MET A 57 32.000 3.531 -2.356 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.658 3.747 -0.651 1.00 0.00 H new ATOM 0 HE1 MET A 57 33.338 0.085 -2.202 1.00 0.00 H new ATOM 0 HE2 MET A 57 32.848 1.391 -3.306 1.00 0.00 H new ATOM 0 HE3 MET A 57 33.882 1.753 -1.904 1.00 0.00 H new ATOM 726 N VAL A 58 27.229 3.328 -3.701 1.00 0.00 N ATOM 727 CA VAL A 58 25.869 3.788 -3.941 1.00 0.00 C ATOM 728 C VAL A 58 24.851 2.755 -3.477 1.00 0.00 C ATOM 729 O VAL A 58 25.208 1.637 -3.107 1.00 0.00 O ATOM 730 CB VAL A 58 25.630 4.086 -5.429 1.00 0.00 C ATOM 731 CG1 VAL A 58 26.189 5.451 -5.801 1.00 0.00 C ATOM 732 CG2 VAL A 58 26.245 2.996 -6.288 1.00 0.00 C ATOM 0 H VAL A 58 27.320 2.317 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 58 25.743 4.707 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 58 24.556 4.103 -5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 58 26.009 5.642 -6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 58 25.698 6.220 -5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 58 27.261 5.470 -5.606 1.00 0.00 H new ATOM 0 HG21 VAL A 58 26.069 3.219 -7.340 1.00 0.00 H new ATOM 0 HG22 VAL A 58 27.318 2.948 -6.102 1.00 0.00 H new ATOM 0 HG23 VAL A 58 25.791 2.037 -6.039 1.00 0.00 H new ATOM 742 N TRP A 59 23.580 3.134 -3.515 1.00 0.00 N ATOM 743 CA TRP A 59 22.508 2.244 -3.099 1.00 0.00 C ATOM 744 C TRP A 59 21.489 2.050 -4.219 1.00 0.00 C ATOM 745 O TRP A 59 20.915 3.015 -4.725 1.00 0.00 O ATOM 746 CB TRP A 59 21.806 2.808 -1.864 1.00 0.00 C ATOM 747 CG TRP A 59 22.513 2.517 -0.574 1.00 0.00 C ATOM 748 CD1 TRP A 59 23.333 3.360 0.119 1.00 0.00 C ATOM 749 CD2 TRP A 59 22.424 1.315 0.202 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.773 2.752 1.269 1.00 0.00 N ATOM 751 CE2 TRP A 59 23.230 1.495 1.343 1.00 0.00 C ATOM 752 CE3 TRP A 59 21.752 0.100 0.038 1.00 0.00 C ATOM 753 CZ2 TRP A 59 23.377 0.506 2.313 1.00 0.00 C ATOM 754 CZ3 TRP A 59 21.895 -0.877 1.004 1.00 0.00 C ATOM 755 CH2 TRP A 59 22.701 -0.670 2.125 1.00 0.00 C ATOM 0 H TRP A 59 23.268 4.053 -3.830 1.00 0.00 H new ATOM 0 HA TRP A 59 22.949 1.277 -2.859 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.707 3.888 -1.976 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.797 2.399 -1.814 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.597 4.360 -0.192 1.00 0.00 H new ATOM 0 HE1 TRP A 59 24.402 3.168 1.956 1.00 0.00 H new ATOM 0 HE3 TRP A 59 21.132 -0.072 -0.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 24.001 0.661 3.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 21.375 -1.817 0.890 1.00 0.00 H new ATOM 0 HH2 TRP A 59 22.793 -1.455 2.861 1.00 0.00 H new ATOM 766 N ASN A 60 21.248 0.795 -4.579 1.00 0.00 N ATOM 767 CA ASN A 60 20.271 0.464 -5.611 1.00 0.00 C ATOM 768 C ASN A 60 18.866 0.757 -5.100 1.00 0.00 C ATOM 769 O ASN A 60 18.694 0.960 -3.906 1.00 0.00 O ATOM 770 CB ASN A 60 20.403 -1.005 -5.994 1.00 0.00 C ATOM 771 CG ASN A 60 21.404 -1.238 -7.112 1.00 0.00 C ATOM 772 OD1 ASN A 60 22.255 -2.123 -7.019 1.00 0.00 O ATOM 773 ND2 ASN A 60 21.310 -0.449 -8.178 1.00 0.00 N ATOM 0 H ASN A 60 21.717 -0.013 -4.170 1.00 0.00 H new ATOM 0 HA ASN A 60 20.457 1.073 -6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.706 -1.578 -5.117 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.428 -1.384 -6.301 1.00 0.00 H new ATOM 0 HD21 ASN A 60 21.957 -0.566 -8.957 1.00 0.00 H new ATOM 0 HD22 ASN A 60 20.590 0.273 -8.216 1.00 0.00 H new ATOM 780 N PRO A 61 17.867 0.829 -6.014 1.00 0.00 N ATOM 781 CA PRO A 61 16.465 1.127 -5.725 1.00 0.00 C ATOM 782 C PRO A 61 16.097 1.114 -4.245 1.00 0.00 C ATOM 783 O PRO A 61 15.843 0.066 -3.658 1.00 0.00 O ATOM 784 CB PRO A 61 15.782 0.016 -6.510 1.00 0.00 C ATOM 785 CG PRO A 61 16.664 -0.180 -7.720 1.00 0.00 C ATOM 786 CD PRO A 61 17.987 0.515 -7.433 1.00 0.00 C ATOM 0 HA PRO A 61 16.176 2.141 -6.002 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.705 -0.898 -5.921 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.769 0.296 -6.797 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.821 -1.241 -7.913 1.00 0.00 H new ATOM 0 HG3 PRO A 61 16.195 0.240 -8.610 1.00 0.00 H new ATOM 0 HD2 PRO A 61 18.840 -0.133 -7.636 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.116 1.412 -8.039 1.00 0.00 H new ATOM 794 N GLU A 62 16.034 2.313 -3.666 1.00 0.00 N ATOM 795 CA GLU A 62 15.771 2.477 -2.242 1.00 0.00 C ATOM 796 C GLU A 62 14.281 2.638 -1.919 1.00 0.00 C ATOM 797 O GLU A 62 13.589 1.652 -1.671 1.00 0.00 O ATOM 798 CB GLU A 62 16.561 3.676 -1.713 1.00 0.00 C ATOM 799 CG GLU A 62 18.059 3.515 -1.831 1.00 0.00 C ATOM 800 CD GLU A 62 18.771 4.828 -2.087 1.00 0.00 C ATOM 801 OE1 GLU A 62 18.718 5.318 -3.235 1.00 0.00 O ATOM 802 OE2 GLU A 62 19.380 5.368 -1.140 1.00 0.00 O ATOM 0 H GLU A 62 16.163 3.191 -4.169 1.00 0.00 H new ATOM 0 HA GLU A 62 16.095 1.562 -1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.256 4.570 -2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.303 3.837 -0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.446 3.070 -0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.283 2.821 -2.641 1.00 0.00 H new ATOM 809 N ALA A 63 13.809 3.884 -1.856 1.00 0.00 N ATOM 810 CA ALA A 63 12.435 4.171 -1.451 1.00 0.00 C ATOM 811 C ALA A 63 11.430 4.007 -2.590 1.00 0.00 C ATOM 812 O ALA A 63 11.366 4.841 -3.492 1.00 0.00 O ATOM 813 CB ALA A 63 12.349 5.582 -0.890 1.00 0.00 C ATOM 0 H ALA A 63 14.361 4.712 -2.081 1.00 0.00 H new ATOM 0 HA ALA A 63 12.170 3.441 -0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.323 5.792 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.006 5.670 -0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.657 6.296 -1.654 1.00 0.00 H new ATOM 819 N PRO A 64 10.567 2.974 -2.518 1.00 0.00 N ATOM 820 CA PRO A 64 9.509 2.752 -3.502 1.00 0.00 C ATOM 821 C PRO A 64 8.309 3.656 -3.227 1.00 0.00 C ATOM 822 O PRO A 64 8.450 4.711 -2.608 1.00 0.00 O ATOM 823 CB PRO A 64 9.127 1.273 -3.304 1.00 0.00 C ATOM 824 CG PRO A 64 10.036 0.751 -2.233 1.00 0.00 C ATOM 825 CD PRO A 64 10.528 1.947 -1.474 1.00 0.00 C ATOM 0 HA PRO A 64 9.830 2.976 -4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.082 1.176 -3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.251 0.711 -4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.505 0.064 -1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.869 0.197 -2.666 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.856 2.218 -0.660 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.510 1.775 -1.033 1.00 0.00 H new ATOM 833 N ILE A 65 7.124 3.228 -3.653 1.00 0.00 N ATOM 834 CA ILE A 65 5.910 4.002 -3.420 1.00 0.00 C ATOM 835 C ILE A 65 5.199 3.532 -2.156 1.00 0.00 C ATOM 836 O ILE A 65 5.508 2.472 -1.617 1.00 0.00 O ATOM 837 CB ILE A 65 4.929 3.903 -4.599 1.00 0.00 C ATOM 838 CG1 ILE A 65 5.681 3.797 -5.928 1.00 0.00 C ATOM 839 CG2 ILE A 65 3.996 5.100 -4.609 1.00 0.00 C ATOM 840 CD1 ILE A 65 6.411 5.065 -6.314 1.00 0.00 C ATOM 0 H ILE A 65 6.979 2.354 -4.159 1.00 0.00 H new ATOM 0 HA ILE A 65 6.223 5.040 -3.308 1.00 0.00 H new ATOM 0 HB ILE A 65 4.335 2.998 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.399 2.979 -5.865 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.974 3.541 -6.717 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.307 5.017 -5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.431 5.129 -3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.580 6.015 -4.708 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.921 4.916 -7.266 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.696 5.882 -6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.143 5.312 -5.545 1.00 0.00 H new ATOM 852 N CYS A 66 4.234 4.319 -1.699 1.00 0.00 N ATOM 853 CA CYS A 66 3.467 3.981 -0.514 1.00 0.00 C ATOM 854 C CYS A 66 2.235 4.866 -0.417 1.00 0.00 C ATOM 855 O CYS A 66 2.317 6.083 -0.588 1.00 0.00 O ATOM 856 CB CYS A 66 4.318 4.142 0.743 1.00 0.00 C ATOM 857 SG CYS A 66 5.031 2.585 1.366 1.00 0.00 S ATOM 0 H CYS A 66 3.965 5.200 -2.136 1.00 0.00 H new ATOM 0 HA CYS A 66 3.155 2.940 -0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.128 4.841 0.533 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.707 4.588 1.527 1.00 0.00 H new ATOM 862 N GLU A 67 1.095 4.250 -0.156 1.00 0.00 N ATOM 863 CA GLU A 67 -0.155 4.983 -0.062 1.00 0.00 C ATOM 864 C GLU A 67 -1.107 4.302 0.906 1.00 0.00 C ATOM 865 O GLU A 67 -0.910 3.145 1.275 1.00 0.00 O ATOM 866 CB GLU A 67 -0.796 5.084 -1.444 1.00 0.00 C ATOM 867 CG GLU A 67 -1.066 6.513 -1.888 1.00 0.00 C ATOM 868 CD GLU A 67 -0.123 6.973 -2.982 1.00 0.00 C ATOM 869 OE1 GLU A 67 -0.391 6.669 -4.164 1.00 0.00 O ATOM 870 OE2 GLU A 67 0.882 7.641 -2.658 1.00 0.00 O ATOM 0 H GLU A 67 1.009 3.245 -0.006 1.00 0.00 H new ATOM 0 HA GLU A 67 0.055 5.985 0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.144 4.603 -2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.735 4.530 -1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.094 6.591 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.974 7.179 -1.030 1.00 0.00 H new ATOM 877 N SER A 68 -2.139 5.023 1.321 1.00 0.00 N ATOM 878 CA SER A 68 -3.110 4.471 2.249 1.00 0.00 C ATOM 879 C SER A 68 -4.232 3.763 1.514 1.00 0.00 C ATOM 880 O SER A 68 -4.963 4.365 0.729 1.00 0.00 O ATOM 881 CB SER A 68 -3.682 5.556 3.161 1.00 0.00 C ATOM 882 OG SER A 68 -4.874 6.106 2.624 1.00 0.00 O ATOM 0 H SER A 68 -2.323 5.984 1.032 1.00 0.00 H new ATOM 0 HA SER A 68 -2.588 3.740 2.867 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.885 5.136 4.146 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.944 6.346 3.297 1.00 0.00 H new ATOM 0 HG SER A 68 -4.941 5.876 1.674 1.00 0.00 H new ATOM 888 N VAL A 69 -4.368 2.476 1.803 1.00 0.00 N ATOM 889 CA VAL A 69 -5.398 1.643 1.201 1.00 0.00 C ATOM 890 C VAL A 69 -6.726 2.373 1.062 1.00 0.00 C ATOM 891 O VAL A 69 -7.563 2.311 1.963 1.00 0.00 O ATOM 892 CB VAL A 69 -5.657 0.377 2.042 1.00 0.00 C ATOM 893 CG1 VAL A 69 -4.676 -0.717 1.683 1.00 0.00 C ATOM 894 CG2 VAL A 69 -5.628 0.672 3.537 1.00 0.00 C ATOM 0 H VAL A 69 -3.767 1.981 2.462 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.019 1.380 0.213 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.661 0.027 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.878 -1.600 2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.782 -0.969 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.660 -0.371 1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.815 -0.247 4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.650 1.069 3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.398 1.405 3.778 1.00 0.00 H new ATOM 904 N LYS A 70 -6.951 3.024 -0.074 1.00 0.00 N ATOM 905 CA LYS A 70 -8.213 3.701 -0.282 1.00 0.00 C ATOM 906 C LYS A 70 -9.131 2.875 -1.176 1.00 0.00 C ATOM 907 O LYS A 70 -8.673 2.084 -2.000 1.00 0.00 O ATOM 908 CB LYS A 70 -8.012 5.116 -0.838 1.00 0.00 C ATOM 909 CG LYS A 70 -7.866 5.210 -2.349 1.00 0.00 C ATOM 910 CD LYS A 70 -9.071 5.911 -2.954 1.00 0.00 C ATOM 911 CE LYS A 70 -10.206 4.937 -3.165 1.00 0.00 C ATOM 912 NZ LYS A 70 -10.969 5.231 -4.407 1.00 0.00 N ATOM 0 H LYS A 70 -6.288 3.094 -0.846 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.697 3.806 0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.859 5.731 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.123 5.546 -0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.956 5.755 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.767 4.211 -2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.396 6.718 -2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.794 6.365 -3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.809 3.923 -3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.879 4.974 -2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.971 5.379 -4.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.588 6.089 -4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.882 4.431 -5.065 1.00 0.00 H new ATOM 926 N CYS A 71 -10.430 3.046 -0.977 1.00 0.00 N ATOM 927 CA CYS A 71 -11.435 2.289 -1.719 1.00 0.00 C ATOM 928 C CYS A 71 -12.430 3.210 -2.402 1.00 0.00 C ATOM 929 O CYS A 71 -12.978 4.111 -1.778 1.00 0.00 O ATOM 930 CB CYS A 71 -12.205 1.342 -0.791 1.00 0.00 C ATOM 931 SG CYS A 71 -11.391 0.965 0.800 1.00 0.00 S ATOM 0 H CYS A 71 -10.817 3.707 -0.303 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.901 1.712 -2.474 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -13.182 1.779 -0.585 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -12.380 0.405 -1.320 1.00 0.00 H new ATOM 936 N GLN A 72 -12.742 2.901 -3.650 1.00 0.00 N ATOM 937 CA GLN A 72 -13.635 3.696 -4.438 1.00 0.00 C ATOM 938 C GLN A 72 -15.051 3.668 -3.934 1.00 0.00 C ATOM 939 O GLN A 72 -15.358 3.093 -2.895 1.00 0.00 O ATOM 940 CB GLN A 72 -13.626 3.153 -5.868 1.00 0.00 C ATOM 941 CG GLN A 72 -13.322 4.223 -6.863 1.00 0.00 C ATOM 942 CD GLN A 72 -12.191 3.862 -7.809 1.00 0.00 C ATOM 943 OE1 GLN A 72 -11.125 3.280 -7.271 1.00 0.00 O flip ATOM 944 NE2 GLN A 72 -12.275 4.105 -9.013 1.00 0.00 N flip ATOM 0 H GLN A 72 -12.374 2.084 -4.137 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.288 4.728 -4.383 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -12.885 2.358 -5.951 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -14.596 2.710 -6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.219 4.434 -7.445 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -13.064 5.140 -6.333 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.112 4.553 -9.386 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.508 3.858 -9.638 1.00 0.00 H new ATOM 953 N SER A 73 -15.921 4.277 -4.723 1.00 0.00 N ATOM 954 CA SER A 73 -17.339 4.268 -4.466 1.00 0.00 C ATOM 955 C SER A 73 -17.784 2.837 -4.170 1.00 0.00 C ATOM 956 O SER A 73 -17.443 1.917 -4.912 1.00 0.00 O ATOM 957 CB SER A 73 -18.035 4.824 -5.703 1.00 0.00 C ATOM 958 OG SER A 73 -19.224 4.112 -6.006 1.00 0.00 O ATOM 0 H SER A 73 -15.655 4.792 -5.562 1.00 0.00 H new ATOM 0 HA SER A 73 -17.595 4.882 -3.602 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.272 5.876 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.356 4.776 -6.554 1.00 0.00 H new ATOM 0 HG SER A 73 -19.899 4.296 -5.320 1.00 0.00 H new ATOM 964 N PRO A 74 -18.424 2.602 -3.018 1.00 0.00 N ATOM 965 CA PRO A 74 -18.801 1.252 -2.615 1.00 0.00 C ATOM 966 C PRO A 74 -19.449 0.477 -3.759 1.00 0.00 C ATOM 967 O PRO A 74 -19.982 1.068 -4.698 1.00 0.00 O ATOM 968 CB PRO A 74 -19.767 1.461 -1.454 1.00 0.00 C ATOM 969 CG PRO A 74 -19.490 2.837 -0.936 1.00 0.00 C ATOM 970 CD PRO A 74 -18.844 3.622 -2.047 1.00 0.00 C ATOM 0 HA PRO A 74 -17.937 0.652 -2.329 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.802 1.369 -1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -19.613 0.712 -0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -20.414 3.318 -0.615 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.834 2.794 -0.067 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -19.543 4.330 -2.492 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -17.994 4.199 -1.684 1.00 0.00 H new ATOM 978 N PRO A 75 -19.343 -0.861 -3.731 1.00 0.00 N ATOM 979 CA PRO A 75 -19.872 -1.720 -4.793 1.00 0.00 C ATOM 980 C PRO A 75 -21.279 -1.330 -5.216 1.00 0.00 C ATOM 981 O PRO A 75 -22.029 -0.726 -4.449 1.00 0.00 O ATOM 982 CB PRO A 75 -19.855 -3.110 -4.161 1.00 0.00 C ATOM 983 CG PRO A 75 -18.733 -3.055 -3.183 1.00 0.00 C ATOM 984 CD PRO A 75 -18.700 -1.643 -2.660 1.00 0.00 C ATOM 0 HA PRO A 75 -19.284 -1.648 -5.708 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -20.801 -3.335 -3.669 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -19.693 -3.886 -4.910 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -18.888 -3.767 -2.372 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.788 -3.316 -3.660 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -19.240 -1.552 -1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.679 -1.307 -2.476 1.00 0.00 H new ATOM 992 N SER A 76 -21.621 -1.662 -6.453 1.00 0.00 N ATOM 993 CA SER A 76 -22.936 -1.349 -6.993 1.00 0.00 C ATOM 994 C SER A 76 -23.818 -2.590 -7.013 1.00 0.00 C ATOM 995 O SER A 76 -23.831 -3.340 -7.989 1.00 0.00 O ATOM 996 CB SER A 76 -22.811 -0.774 -8.406 1.00 0.00 C ATOM 997 OG SER A 76 -24.046 -0.238 -8.849 1.00 0.00 O ATOM 0 H SER A 76 -21.004 -2.149 -7.103 1.00 0.00 H new ATOM 0 HA SER A 76 -23.399 -0.602 -6.348 1.00 0.00 H new ATOM 0 HB2 SER A 76 -22.048 0.004 -8.419 1.00 0.00 H new ATOM 0 HB3 SER A 76 -22.483 -1.555 -9.092 1.00 0.00 H new ATOM 0 HG SER A 76 -23.940 0.124 -9.753 1.00 0.00 H new ATOM 1003 N ILE A 77 -24.561 -2.796 -5.932 1.00 0.00 N ATOM 1004 CA ILE A 77 -25.447 -3.947 -5.825 1.00 0.00 C ATOM 1005 C ILE A 77 -26.619 -3.819 -6.789 1.00 0.00 C ATOM 1006 O ILE A 77 -26.800 -2.782 -7.427 1.00 0.00 O ATOM 1007 CB ILE A 77 -25.994 -4.110 -4.395 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -26.829 -2.889 -4.004 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -24.855 -4.321 -3.409 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -27.796 -3.154 -2.871 1.00 0.00 C ATOM 0 H ILE A 77 -24.567 -2.181 -5.118 1.00 0.00 H new ATOM 0 HA ILE A 77 -24.856 -4.827 -6.079 1.00 0.00 H new ATOM 0 HB ILE A 77 -26.636 -4.990 -4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -26.159 -2.078 -3.717 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -27.388 -2.547 -4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -25.260 -4.434 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -24.301 -5.220 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -24.186 -3.461 -3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -28.354 -2.244 -2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -28.490 -3.943 -3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -27.242 -3.466 -1.986 1.00 0.00 H new ATOM 1022 N SER A 78 -27.409 -4.879 -6.895 1.00 0.00 N ATOM 1023 CA SER A 78 -28.561 -4.881 -7.786 1.00 0.00 C ATOM 1024 C SER A 78 -29.821 -4.457 -7.045 1.00 0.00 C ATOM 1025 O SER A 78 -30.092 -4.924 -5.939 1.00 0.00 O ATOM 1026 CB SER A 78 -28.757 -6.269 -8.401 1.00 0.00 C ATOM 1027 OG SER A 78 -27.551 -7.014 -8.376 1.00 0.00 O ATOM 0 H SER A 78 -27.274 -5.747 -6.376 1.00 0.00 H new ATOM 0 HA SER A 78 -28.372 -4.163 -8.584 1.00 0.00 H new ATOM 0 HB2 SER A 78 -29.531 -6.806 -7.854 1.00 0.00 H new ATOM 0 HB3 SER A 78 -29.105 -6.169 -9.429 1.00 0.00 H new ATOM 0 HG SER A 78 -27.704 -7.897 -8.773 1.00 0.00 H new ATOM 1033 N ASN A 79 -30.587 -3.566 -7.662 1.00 0.00 N ATOM 1034 CA ASN A 79 -31.823 -3.072 -7.064 1.00 0.00 C ATOM 1035 C ASN A 79 -31.522 -2.243 -5.823 1.00 0.00 C ATOM 1036 O ASN A 79 -32.341 -2.156 -4.908 1.00 0.00 O ATOM 1037 CB ASN A 79 -32.766 -4.228 -6.698 1.00 0.00 C ATOM 1038 CG ASN A 79 -32.518 -5.486 -7.495 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -32.297 -5.323 -8.784 1.00 0.00 O flip ATOM 1040 ND2 ASN A 79 -32.525 -6.592 -6.955 1.00 0.00 N flip ATOM 0 H ASN A 79 -30.375 -3.170 -8.578 1.00 0.00 H new ATOM 0 HA ASN A 79 -32.318 -2.443 -7.804 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -32.657 -4.453 -5.637 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -33.796 -3.908 -6.852 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -32.701 -6.669 -5.953 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -32.355 -7.431 -7.509 1.00 0.00 H new ATOM 1047 N GLY A 80 -30.343 -1.634 -5.800 1.00 0.00 N ATOM 1048 CA GLY A 80 -29.957 -0.814 -4.667 1.00 0.00 C ATOM 1049 C GLY A 80 -28.688 -0.025 -4.919 1.00 0.00 C ATOM 1050 O GLY A 80 -28.065 -0.159 -5.972 1.00 0.00 O ATOM 0 H GLY A 80 -29.648 -1.693 -6.544 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -30.767 -0.124 -4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -29.816 -1.451 -3.794 1.00 0.00 H new ATOM 1054 N ARG A 81 -28.312 0.806 -3.951 1.00 0.00 N ATOM 1055 CA ARG A 81 -27.130 1.646 -4.079 1.00 0.00 C ATOM 1056 C ARG A 81 -26.468 1.890 -2.738 1.00 0.00 C ATOM 1057 O ARG A 81 -26.785 1.246 -1.737 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.503 2.990 -4.698 1.00 0.00 C ATOM 1059 CG ARG A 81 -28.518 2.870 -5.809 1.00 0.00 C ATOM 1060 CD ARG A 81 -28.453 4.052 -6.762 1.00 0.00 C ATOM 1061 NE ARG A 81 -27.732 3.728 -7.989 1.00 0.00 N ATOM 1062 CZ ARG A 81 -28.281 3.095 -9.021 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -27.559 2.837 -10.103 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -29.552 2.719 -8.972 1.00 0.00 N ATOM 0 H ARG A 81 -28.811 0.914 -3.068 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.427 1.118 -4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -27.900 3.643 -3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -26.603 3.467 -5.086 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -28.344 1.947 -6.362 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -29.518 2.802 -5.382 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -29.465 4.373 -7.010 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.965 4.891 -6.266 1.00 0.00 H new ATOM 0 HE ARG A 81 -26.752 4.003 -8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -26.581 3.124 -10.144 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -27.981 2.351 -10.894 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -30.110 2.915 -8.141 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -29.971 2.233 -9.765 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.556 2.844 -2.738 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.836 3.226 -1.532 1.00 0.00 C ATOM 1080 C HIS A 82 -24.931 4.727 -1.297 1.00 0.00 C ATOM 1081 O HIS A 82 -25.241 5.491 -2.211 1.00 0.00 O ATOM 1082 CB HIS A 82 -23.372 2.801 -1.623 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.742 3.095 -2.948 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.699 2.182 -3.981 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -22.128 4.211 -3.409 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -22.084 2.722 -5.018 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -21.729 3.952 -4.697 1.00 0.00 N ATOM 0 H HIS A 82 -25.292 3.375 -3.568 1.00 0.00 H new ATOM 0 HA HIS A 82 -25.298 2.714 -0.688 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.806 3.308 -0.841 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -23.300 1.731 -1.426 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -23.082 1.237 -3.949 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.980 5.132 -2.865 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.903 2.239 -5.967 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.681 5.142 -0.061 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.741 6.555 0.292 1.00 0.00 C ATOM 1098 C ASN A 83 -23.415 7.242 -0.016 1.00 0.00 C ATOM 1099 O ASN A 83 -23.227 7.777 -1.109 1.00 0.00 O ATOM 1100 CB ASN A 83 -25.098 6.721 1.772 1.00 0.00 C ATOM 1101 CG ASN A 83 -26.527 6.310 2.071 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -27.300 6.005 1.164 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -26.884 6.301 3.350 1.00 0.00 N ATOM 0 H ASN A 83 -24.436 4.523 0.711 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.519 7.026 -0.308 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.417 6.123 2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -24.953 7.761 2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -27.833 6.034 3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -26.210 6.561 4.070 1.00 0.00 H new ATOM 1110 N GLY A 84 -22.492 7.211 0.942 1.00 0.00 N ATOM 1111 CA GLY A 84 -21.193 7.820 0.736 1.00 0.00 C ATOM 1112 C GLY A 84 -21.281 9.303 0.429 1.00 0.00 C ATOM 1113 O GLY A 84 -22.266 9.771 -0.140 1.00 0.00 O ATOM 0 H GLY A 84 -22.622 6.775 1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -20.583 7.674 1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -20.685 7.313 -0.085 1.00 0.00 H new ATOM 1117 N TYR A 85 -20.240 10.041 0.795 1.00 0.00 N ATOM 1118 CA TYR A 85 -20.199 11.476 0.554 1.00 0.00 C ATOM 1119 C TYR A 85 -19.072 11.833 -0.407 1.00 0.00 C ATOM 1120 O TYR A 85 -19.196 12.753 -1.215 1.00 0.00 O ATOM 1121 CB TYR A 85 -20.021 12.221 1.876 1.00 0.00 C ATOM 1122 CG TYR A 85 -20.975 11.763 2.955 1.00 0.00 C ATOM 1123 CD1 TYR A 85 -20.722 10.610 3.687 1.00 0.00 C ATOM 1124 CD2 TYR A 85 -22.135 12.474 3.231 1.00 0.00 C ATOM 1125 CE1 TYR A 85 -21.594 10.183 4.670 1.00 0.00 C ATOM 1126 CE2 TYR A 85 -23.013 12.054 4.214 1.00 0.00 C ATOM 1127 CZ TYR A 85 -22.737 10.908 4.930 1.00 0.00 C ATOM 1128 OH TYR A 85 -23.608 10.487 5.908 1.00 0.00 O ATOM 0 H TYR A 85 -19.413 9.668 1.260 1.00 0.00 H new ATOM 0 HA TYR A 85 -21.142 11.777 0.098 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.997 12.087 2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -20.162 13.288 1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -19.829 10.038 3.484 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -22.356 13.370 2.669 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -21.381 9.286 5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -23.909 12.620 4.420 1.00 0.00 H new ATOM 0 HH TYR A 85 -24.362 11.110 5.965 1.00 0.00 H new ATOM 1138 N GLU A 86 -17.983 11.083 -0.322 1.00 0.00 N ATOM 1139 CA GLU A 86 -16.825 11.305 -1.170 1.00 0.00 C ATOM 1140 C GLU A 86 -16.754 10.271 -2.283 1.00 0.00 C ATOM 1141 O GLU A 86 -17.632 9.418 -2.415 1.00 0.00 O ATOM 1142 CB GLU A 86 -15.553 11.224 -0.332 1.00 0.00 C ATOM 1143 CG GLU A 86 -15.074 12.569 0.177 1.00 0.00 C ATOM 1144 CD GLU A 86 -13.688 12.925 -0.326 1.00 0.00 C ATOM 1145 OE1 GLU A 86 -13.393 14.133 -0.449 1.00 0.00 O ATOM 1146 OE2 GLU A 86 -12.899 11.996 -0.597 1.00 0.00 O ATOM 0 H GLU A 86 -17.879 10.308 0.333 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.918 12.294 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.730 10.565 0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.763 10.769 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.778 13.342 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.069 12.560 1.267 1.00 0.00 H new ATOM 1153 N ASP A 87 -15.684 10.338 -3.063 1.00 0.00 N ATOM 1154 CA ASP A 87 -15.453 9.376 -4.129 1.00 0.00 C ATOM 1155 C ASP A 87 -14.494 8.301 -3.645 1.00 0.00 C ATOM 1156 O ASP A 87 -14.611 7.130 -4.008 1.00 0.00 O ATOM 1157 CB ASP A 87 -14.888 10.070 -5.369 1.00 0.00 C ATOM 1158 CG ASP A 87 -15.366 9.432 -6.658 1.00 0.00 C ATOM 1159 OD1 ASP A 87 -14.930 8.301 -6.958 1.00 0.00 O ATOM 1160 OD2 ASP A 87 -16.177 10.064 -7.368 1.00 0.00 O ATOM 0 H ASP A 87 -14.960 11.052 -2.976 1.00 0.00 H new ATOM 0 HA ASP A 87 -16.403 8.916 -4.401 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -15.178 11.121 -5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.799 10.040 -5.334 1.00 0.00 H new ATOM 1165 N PHE A 88 -13.576 8.711 -2.782 1.00 0.00 N ATOM 1166 CA PHE A 88 -12.592 7.812 -2.217 1.00 0.00 C ATOM 1167 C PHE A 88 -12.944 7.444 -0.781 1.00 0.00 C ATOM 1168 O PHE A 88 -13.777 8.090 -0.145 1.00 0.00 O ATOM 1169 CB PHE A 88 -11.212 8.479 -2.251 1.00 0.00 C ATOM 1170 CG PHE A 88 -10.523 8.433 -3.583 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -11.214 8.116 -4.742 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -9.179 8.742 -3.674 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -10.566 8.076 -5.960 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -8.527 8.708 -4.886 1.00 0.00 C ATOM 1175 CZ PHE A 88 -9.220 8.377 -6.034 1.00 0.00 C ATOM 0 H PHE A 88 -13.496 9.675 -2.457 1.00 0.00 H new ATOM 0 HA PHE A 88 -12.580 6.898 -2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.320 9.521 -1.950 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.573 7.998 -1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.271 7.898 -4.691 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -8.633 9.014 -2.783 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.111 7.810 -6.854 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.474 8.940 -4.939 1.00 0.00 H new ATOM 0 HZ PHE A 88 -8.711 8.354 -6.986 1.00 0.00 H new ATOM 1185 N TYR A 89 -12.314 6.387 -0.289 1.00 0.00 N ATOM 1186 CA TYR A 89 -12.515 5.921 1.075 1.00 0.00 C ATOM 1187 C TYR A 89 -11.253 5.215 1.515 1.00 0.00 C ATOM 1188 O TYR A 89 -10.412 4.925 0.683 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.711 4.971 1.155 1.00 0.00 C ATOM 1190 CG TYR A 89 -15.007 5.599 0.713 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.304 5.763 -0.634 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -15.933 6.034 1.647 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -16.487 6.341 -1.036 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -17.121 6.614 1.254 1.00 0.00 C ATOM 1195 CZ TYR A 89 -17.395 6.765 -0.090 1.00 0.00 C ATOM 1196 OH TYR A 89 -18.576 7.343 -0.488 1.00 0.00 O ATOM 0 H TYR A 89 -11.649 5.828 -0.824 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.725 6.767 1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.511 4.095 0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.818 4.620 2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -14.595 5.432 -1.378 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.721 5.917 2.700 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -16.702 6.462 -2.087 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -17.833 6.948 1.994 1.00 0.00 H new ATOM 0 HH TYR A 89 -18.391 8.044 -1.147 1.00 0.00 H new ATOM 1206 N THR A 90 -11.096 4.946 2.799 1.00 0.00 N ATOM 1207 CA THR A 90 -9.874 4.298 3.252 1.00 0.00 C ATOM 1208 C THR A 90 -10.097 3.380 4.447 1.00 0.00 C ATOM 1209 O THR A 90 -11.220 3.195 4.912 1.00 0.00 O ATOM 1210 CB THR A 90 -8.826 5.352 3.596 1.00 0.00 C ATOM 1211 OG1 THR A 90 -9.397 6.400 4.361 1.00 0.00 O ATOM 1212 CG2 THR A 90 -8.193 5.966 2.372 1.00 0.00 C ATOM 0 H THR A 90 -11.776 5.158 3.529 1.00 0.00 H new ATOM 0 HA THR A 90 -9.523 3.672 2.432 1.00 0.00 H new ATOM 0 HB THR A 90 -8.058 4.830 4.166 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.708 7.064 4.572 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.456 6.709 2.677 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.703 5.188 1.786 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.962 6.446 1.767 1.00 0.00 H new ATOM 1220 N ASP A 91 -9.002 2.804 4.933 1.00 0.00 N ATOM 1221 CA ASP A 91 -9.046 1.894 6.065 1.00 0.00 C ATOM 1222 C ASP A 91 -9.822 2.486 7.218 1.00 0.00 C ATOM 1223 O ASP A 91 -9.279 3.219 8.044 1.00 0.00 O ATOM 1224 CB ASP A 91 -7.638 1.548 6.534 1.00 0.00 C ATOM 1225 CG ASP A 91 -6.806 2.781 6.827 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -6.464 2.999 8.008 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -6.496 3.529 5.876 1.00 0.00 O ATOM 0 H ASP A 91 -8.067 2.955 4.554 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.551 0.988 5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.698 0.932 7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.140 0.951 5.770 1.00 0.00 H new ATOM 1232 N GLY A 92 -11.088 2.133 7.286 1.00 0.00 N ATOM 1233 CA GLY A 92 -11.915 2.590 8.372 1.00 0.00 C ATOM 1234 C GLY A 92 -13.145 3.345 7.911 1.00 0.00 C ATOM 1235 O GLY A 92 -13.835 3.960 8.725 1.00 0.00 O ATOM 0 H GLY A 92 -11.560 1.536 6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.226 1.732 8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.324 3.234 9.023 1.00 0.00 H new ATOM 1239 N SER A 93 -13.424 3.319 6.610 1.00 0.00 N ATOM 1240 CA SER A 93 -14.598 4.016 6.090 1.00 0.00 C ATOM 1241 C SER A 93 -15.778 3.064 5.971 1.00 0.00 C ATOM 1242 O SER A 93 -15.611 1.886 5.664 1.00 0.00 O ATOM 1243 CB SER A 93 -14.308 4.667 4.734 1.00 0.00 C ATOM 1244 OG SER A 93 -12.919 4.865 4.546 1.00 0.00 O ATOM 0 H SER A 93 -12.866 2.833 5.908 1.00 0.00 H new ATOM 0 HA SER A 93 -14.851 4.806 6.798 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.699 4.038 3.935 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.826 5.624 4.669 1.00 0.00 H new ATOM 0 HG SER A 93 -12.482 4.000 4.398 1.00 0.00 H new ATOM 1250 N VAL A 94 -16.969 3.576 6.245 1.00 0.00 N ATOM 1251 CA VAL A 94 -18.179 2.772 6.175 1.00 0.00 C ATOM 1252 C VAL A 94 -19.249 3.484 5.355 1.00 0.00 C ATOM 1253 O VAL A 94 -19.298 4.713 5.312 1.00 0.00 O ATOM 1254 CB VAL A 94 -18.727 2.453 7.583 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -17.733 1.598 8.351 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -20.079 1.755 7.507 1.00 0.00 C ATOM 0 H VAL A 94 -17.123 4.547 6.518 1.00 0.00 H new ATOM 0 HA VAL A 94 -17.919 1.832 5.687 1.00 0.00 H new ATOM 0 HB VAL A 94 -18.868 3.396 8.111 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -18.130 1.380 9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.565 0.665 7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.790 2.136 8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -20.437 1.544 8.515 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -20.793 2.400 6.996 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -19.975 0.820 6.956 1.00 0.00 H new ATOM 1266 N VAL A 95 -20.104 2.703 4.712 1.00 0.00 N ATOM 1267 CA VAL A 95 -21.175 3.258 3.896 1.00 0.00 C ATOM 1268 C VAL A 95 -22.441 2.423 4.015 1.00 0.00 C ATOM 1269 O VAL A 95 -22.382 1.206 4.185 1.00 0.00 O ATOM 1270 CB VAL A 95 -20.766 3.345 2.418 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.819 4.079 1.608 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -19.414 4.024 2.282 1.00 0.00 C ATOM 0 H VAL A 95 -20.078 1.684 4.739 1.00 0.00 H new ATOM 0 HA VAL A 95 -21.370 4.264 4.269 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.685 2.332 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.507 4.128 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.768 3.548 1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.939 5.090 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -19.138 4.078 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -19.470 5.031 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.663 3.451 2.825 1.00 0.00 H new ATOM 1282 N THR A 96 -23.583 3.089 3.930 1.00 0.00 N ATOM 1283 CA THR A 96 -24.870 2.416 4.035 1.00 0.00 C ATOM 1284 C THR A 96 -25.519 2.266 2.665 1.00 0.00 C ATOM 1285 O THR A 96 -25.609 3.227 1.900 1.00 0.00 O ATOM 1286 CB THR A 96 -25.797 3.191 4.972 1.00 0.00 C ATOM 1287 OG1 THR A 96 -25.218 4.432 5.336 1.00 0.00 O ATOM 1288 CG2 THR A 96 -26.122 2.443 6.247 1.00 0.00 C ATOM 0 H THR A 96 -23.645 4.097 3.788 1.00 0.00 H new ATOM 0 HA THR A 96 -24.700 1.420 4.445 1.00 0.00 H new ATOM 0 HB THR A 96 -26.720 3.336 4.411 1.00 0.00 H new ATOM 0 HG1 THR A 96 -25.827 4.914 5.934 1.00 0.00 H new ATOM 0 HG21 THR A 96 -26.783 3.049 6.866 1.00 0.00 H new ATOM 0 HG22 THR A 96 -26.616 1.503 6.001 1.00 0.00 H new ATOM 0 HG23 THR A 96 -25.201 2.238 6.793 1.00 0.00 H new ATOM 1296 N TYR A 97 -25.965 1.054 2.361 1.00 0.00 N ATOM 1297 CA TYR A 97 -26.598 0.773 1.079 1.00 0.00 C ATOM 1298 C TYR A 97 -28.105 0.954 1.160 1.00 0.00 C ATOM 1299 O TYR A 97 -28.697 0.841 2.234 1.00 0.00 O ATOM 1300 CB TYR A 97 -26.265 -0.646 0.629 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.954 -0.750 -0.112 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -23.772 -0.316 0.471 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -24.899 -1.278 -1.393 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -22.572 -0.405 -0.200 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -23.700 -1.372 -2.072 1.00 0.00 C ATOM 1306 CZ TYR A 97 -22.539 -0.934 -1.470 1.00 0.00 C ATOM 1307 OH TYR A 97 -21.342 -1.023 -2.139 1.00 0.00 O ATOM 0 H TYR A 97 -25.900 0.250 2.985 1.00 0.00 H new ATOM 0 HA TYR A 97 -26.210 1.482 0.348 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -26.232 -1.298 1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -27.066 -1.013 -0.013 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -23.793 0.099 1.468 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -25.807 -1.621 -1.867 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -21.662 -0.061 0.268 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -23.672 -1.786 -3.069 1.00 0.00 H new ATOM 0 HH TYR A 97 -21.407 -0.543 -2.991 1.00 0.00 H new ATOM 1317 N SER A 98 -28.725 1.239 0.020 1.00 0.00 N ATOM 1318 CA SER A 98 -30.169 1.445 -0.018 1.00 0.00 C ATOM 1319 C SER A 98 -30.769 0.953 -1.330 1.00 0.00 C ATOM 1320 O SER A 98 -30.254 1.244 -2.408 1.00 0.00 O ATOM 1321 CB SER A 98 -30.495 2.926 0.179 1.00 0.00 C ATOM 1322 OG SER A 98 -29.434 3.600 0.832 1.00 0.00 O ATOM 0 H SER A 98 -28.257 1.332 -0.881 1.00 0.00 H new ATOM 0 HA SER A 98 -30.609 0.865 0.793 1.00 0.00 H new ATOM 0 HB2 SER A 98 -30.685 3.391 -0.788 1.00 0.00 H new ATOM 0 HB3 SER A 98 -31.408 3.025 0.765 1.00 0.00 H new ATOM 0 HG SER A 98 -29.667 4.545 0.944 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.884 0.235 -1.230 1.00 0.00 N ATOM 1329 CA CYS A 99 -32.559 -0.292 -2.409 1.00 0.00 C ATOM 1330 C CYS A 99 -33.185 0.833 -3.226 1.00 0.00 C ATOM 1331 O CYS A 99 -33.431 1.924 -2.713 1.00 0.00 O ATOM 1332 CB CYS A 99 -33.634 -1.299 -1.999 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.995 -2.739 -1.085 1.00 0.00 S ATOM 0 H CYS A 99 -32.338 0.006 -0.346 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.816 -0.796 -3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -34.376 -0.791 -1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -34.149 -1.649 -2.894 1.00 0.00 H new ATOM 1338 N ASN A 100 -33.429 0.561 -4.504 1.00 0.00 N ATOM 1339 CA ASN A 100 -34.022 1.559 -5.396 1.00 0.00 C ATOM 1340 C ASN A 100 -35.536 1.381 -5.500 1.00 0.00 C ATOM 1341 O ASN A 100 -36.295 2.008 -4.761 1.00 0.00 O ATOM 1342 CB ASN A 100 -33.391 1.501 -6.796 1.00 0.00 C ATOM 1343 CG ASN A 100 -32.899 0.117 -7.181 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -33.558 -0.886 -6.906 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -31.736 0.060 -7.820 1.00 0.00 N ATOM 0 H ASN A 100 -33.228 -0.336 -4.946 1.00 0.00 H new ATOM 0 HA ASN A 100 -33.817 2.538 -4.963 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -34.124 1.835 -7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -32.556 2.200 -6.839 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -31.354 -0.842 -8.104 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -31.225 0.918 -8.027 1.00 0.00 H new ATOM 1352 N SER A 101 -35.969 0.524 -6.421 1.00 0.00 N ATOM 1353 CA SER A 101 -37.393 0.276 -6.642 1.00 0.00 C ATOM 1354 C SER A 101 -38.155 0.130 -5.326 1.00 0.00 C ATOM 1355 O SER A 101 -39.349 0.424 -5.255 1.00 0.00 O ATOM 1356 CB SER A 101 -37.583 -0.981 -7.494 1.00 0.00 C ATOM 1357 OG SER A 101 -38.931 -1.119 -7.908 1.00 0.00 O ATOM 0 H SER A 101 -35.351 -0.013 -7.030 1.00 0.00 H new ATOM 0 HA SER A 101 -37.799 1.140 -7.169 1.00 0.00 H new ATOM 0 HB2 SER A 101 -36.934 -0.933 -8.368 1.00 0.00 H new ATOM 0 HB3 SER A 101 -37.283 -1.860 -6.923 1.00 0.00 H new ATOM 0 HG SER A 101 -39.025 -1.929 -8.452 1.00 0.00 H new ATOM 1363 N GLY A 102 -37.463 -0.327 -4.288 1.00 0.00 N ATOM 1364 CA GLY A 102 -38.097 -0.504 -2.994 1.00 0.00 C ATOM 1365 C GLY A 102 -37.893 -1.899 -2.438 1.00 0.00 C ATOM 1366 O GLY A 102 -38.799 -2.475 -1.835 1.00 0.00 O ATOM 0 H GLY A 102 -36.475 -0.578 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -37.695 0.227 -2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -39.165 -0.304 -3.085 1.00 0.00 H new ATOM 1370 N TYR A 103 -36.700 -2.443 -2.647 1.00 0.00 N ATOM 1371 CA TYR A 103 -36.369 -3.776 -2.171 1.00 0.00 C ATOM 1372 C TYR A 103 -35.974 -3.744 -0.700 1.00 0.00 C ATOM 1373 O TYR A 103 -36.098 -2.714 -0.037 1.00 0.00 O ATOM 1374 CB TYR A 103 -35.233 -4.356 -3.015 1.00 0.00 C ATOM 1375 CG TYR A 103 -35.689 -4.870 -4.361 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -35.749 -4.027 -5.463 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -36.075 -6.194 -4.526 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -36.167 -4.492 -6.695 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -36.495 -6.667 -5.755 1.00 0.00 C ATOM 1380 CZ TYR A 103 -36.541 -5.812 -6.835 1.00 0.00 C ATOM 1381 OH TYR A 103 -36.960 -6.278 -8.060 1.00 0.00 O ATOM 0 H TYR A 103 -35.943 -1.976 -3.146 1.00 0.00 H new ATOM 0 HA TYR A 103 -37.249 -4.411 -2.269 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -34.473 -3.589 -3.165 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -34.760 -5.169 -2.465 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -35.464 -2.991 -5.355 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -36.047 -6.865 -3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -36.201 -3.825 -7.544 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -36.786 -7.701 -5.868 1.00 0.00 H new ATOM 0 HH TYR A 103 -37.186 -7.229 -7.988 1.00 0.00 H new ATOM 1391 N SER A 104 -35.511 -4.878 -0.190 1.00 0.00 N ATOM 1392 CA SER A 104 -35.105 -4.979 1.200 1.00 0.00 C ATOM 1393 C SER A 104 -33.601 -5.189 1.315 1.00 0.00 C ATOM 1394 O SER A 104 -33.070 -6.226 0.912 1.00 0.00 O ATOM 1395 CB SER A 104 -35.845 -6.124 1.892 1.00 0.00 C ATOM 1396 OG SER A 104 -36.654 -5.643 2.951 1.00 0.00 O ATOM 0 H SER A 104 -35.408 -5.742 -0.723 1.00 0.00 H new ATOM 0 HA SER A 104 -35.362 -4.041 1.693 1.00 0.00 H new ATOM 0 HB2 SER A 104 -36.465 -6.651 1.167 1.00 0.00 H new ATOM 0 HB3 SER A 104 -35.125 -6.845 2.279 1.00 0.00 H new ATOM 0 HG SER A 104 -37.118 -6.395 3.376 1.00 0.00 H new ATOM 1402 N LEU A 105 -32.929 -4.191 1.873 1.00 0.00 N ATOM 1403 CA LEU A 105 -31.487 -4.241 2.088 1.00 0.00 C ATOM 1404 C LEU A 105 -31.088 -5.566 2.726 1.00 0.00 C ATOM 1405 O LEU A 105 -31.412 -5.834 3.882 1.00 0.00 O ATOM 1406 CB LEU A 105 -31.059 -3.074 2.987 1.00 0.00 C ATOM 1407 CG LEU A 105 -29.975 -2.138 2.429 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -30.123 -1.943 0.926 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -28.587 -2.657 2.775 1.00 0.00 C ATOM 0 H LEU A 105 -33.366 -3.325 2.189 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.984 -4.157 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -31.942 -2.476 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -30.702 -3.485 3.931 1.00 0.00 H new ATOM 0 HG LEU A 105 -30.105 -1.163 2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -29.340 -1.276 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -30.037 -2.907 0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -31.098 -1.507 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -27.834 -1.980 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -28.480 -2.714 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -28.452 -3.649 2.344 1.00 0.00 H new ATOM 1421 N ILE A 106 -30.414 -6.402 1.950 1.00 0.00 N ATOM 1422 CA ILE A 106 -29.990 -7.710 2.422 1.00 0.00 C ATOM 1423 C ILE A 106 -28.675 -7.614 3.178 1.00 0.00 C ATOM 1424 O ILE A 106 -27.906 -6.681 2.980 1.00 0.00 O ATOM 1425 CB ILE A 106 -29.843 -8.691 1.249 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -31.182 -8.838 0.532 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -29.343 -10.042 1.734 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -32.264 -9.425 1.409 1.00 0.00 C ATOM 0 H ILE A 106 -30.149 -6.196 0.987 1.00 0.00 H new ATOM 0 HA ILE A 106 -30.758 -8.082 3.100 1.00 0.00 H new ATOM 0 HB ILE A 106 -29.107 -8.295 0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -31.504 -7.860 0.173 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -31.050 -9.472 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -29.247 -10.720 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -28.372 -9.920 2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -30.052 -10.456 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -33.191 -9.503 0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -31.961 -10.416 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -32.422 -8.780 2.273 1.00 0.00 H new ATOM 1440 N GLY A 107 -28.426 -8.586 4.044 1.00 0.00 N ATOM 1441 CA GLY A 107 -27.213 -8.572 4.834 1.00 0.00 C ATOM 1442 C GLY A 107 -27.115 -7.327 5.684 1.00 0.00 C ATOM 1443 O GLY A 107 -28.050 -6.984 6.407 1.00 0.00 O ATOM 0 H GLY A 107 -29.041 -9.382 4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -27.186 -9.453 5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -26.348 -8.631 4.174 1.00 0.00 H new ATOM 1447 N ASN A 108 -25.994 -6.634 5.576 1.00 0.00 N ATOM 1448 CA ASN A 108 -25.792 -5.397 6.318 1.00 0.00 C ATOM 1449 C ASN A 108 -25.626 -4.223 5.365 1.00 0.00 C ATOM 1450 O ASN A 108 -24.893 -4.305 4.379 1.00 0.00 O ATOM 1451 CB ASN A 108 -24.570 -5.506 7.227 1.00 0.00 C ATOM 1452 CG ASN A 108 -24.541 -6.810 7.998 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -23.702 -7.675 7.748 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -25.463 -6.958 8.942 1.00 0.00 N ATOM 0 H ASN A 108 -25.210 -6.905 4.983 1.00 0.00 H new ATOM 0 HA ASN A 108 -26.673 -5.227 6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -23.664 -5.422 6.626 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -24.566 -4.672 7.928 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -25.495 -7.815 9.494 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -26.139 -6.214 9.115 1.00 0.00 H new ATOM 1461 N SER A 109 -26.327 -3.137 5.658 1.00 0.00 N ATOM 1462 CA SER A 109 -26.256 -1.940 4.837 1.00 0.00 C ATOM 1463 C SER A 109 -24.878 -1.302 4.948 1.00 0.00 C ATOM 1464 O SER A 109 -24.387 -0.683 4.004 1.00 0.00 O ATOM 1465 CB SER A 109 -27.337 -0.949 5.260 1.00 0.00 C ATOM 1466 OG SER A 109 -28.208 -1.520 6.221 1.00 0.00 O ATOM 0 H SER A 109 -26.952 -3.062 6.460 1.00 0.00 H new ATOM 0 HA SER A 109 -26.424 -2.218 3.797 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.872 -0.054 5.673 1.00 0.00 H new ATOM 0 HB3 SER A 109 -27.909 -0.637 4.387 1.00 0.00 H new ATOM 0 HG SER A 109 -28.890 -0.864 6.476 1.00 0.00 H new ATOM 1472 N GLY A 110 -24.249 -1.489 6.101 1.00 0.00 N ATOM 1473 CA GLY A 110 -22.929 -0.940 6.328 1.00 0.00 C ATOM 1474 C GLY A 110 -21.837 -1.738 5.639 1.00 0.00 C ATOM 1475 O GLY A 110 -21.725 -2.948 5.834 1.00 0.00 O ATOM 0 H GLY A 110 -24.633 -2.014 6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.902 0.089 5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.731 -0.911 7.400 1.00 0.00 H new ATOM 1479 N VAL A 111 -21.030 -1.057 4.831 1.00 0.00 N ATOM 1480 CA VAL A 111 -19.924 -1.700 4.129 1.00 0.00 C ATOM 1481 C VAL A 111 -18.597 -1.134 4.605 1.00 0.00 C ATOM 1482 O VAL A 111 -18.387 0.075 4.569 1.00 0.00 O ATOM 1483 CB VAL A 111 -20.024 -1.510 2.611 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -19.048 -2.428 1.889 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -21.447 -1.748 2.133 1.00 0.00 C ATOM 0 H VAL A 111 -21.122 -0.058 4.646 1.00 0.00 H new ATOM 0 HA VAL A 111 -19.981 -2.765 4.352 1.00 0.00 H new ATOM 0 HB VAL A 111 -19.756 -0.480 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -19.135 -2.277 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -18.031 -2.199 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -19.278 -3.466 2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -21.496 -1.608 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.749 -2.766 2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -22.118 -1.041 2.621 1.00 0.00 H new ATOM 1495 N LEU A 112 -17.705 -2.007 5.056 1.00 0.00 N ATOM 1496 CA LEU A 112 -16.412 -1.567 5.564 1.00 0.00 C ATOM 1497 C LEU A 112 -15.432 -1.292 4.433 1.00 0.00 C ATOM 1498 O LEU A 112 -15.294 -2.088 3.506 1.00 0.00 O ATOM 1499 CB LEU A 112 -15.818 -2.619 6.508 1.00 0.00 C ATOM 1500 CG LEU A 112 -14.361 -2.385 6.922 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -13.427 -2.864 5.832 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -14.113 -0.918 7.241 1.00 0.00 C ATOM 0 H LEU A 112 -17.851 -3.016 5.081 1.00 0.00 H new ATOM 0 HA LEU A 112 -16.578 -0.639 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.431 -2.662 7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.889 -3.595 6.027 1.00 0.00 H new ATOM 0 HG LEU A 112 -14.163 -2.959 7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.394 -2.693 6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -13.583 -3.929 5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -13.630 -2.315 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -13.072 -0.780 7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.327 -0.313 6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.762 -0.609 8.060 1.00 0.00 H new ATOM 1514 N CYS A 113 -14.717 -0.181 4.552 1.00 0.00 N ATOM 1515 CA CYS A 113 -13.697 0.187 3.586 1.00 0.00 C ATOM 1516 C CYS A 113 -12.319 0.029 4.210 1.00 0.00 C ATOM 1517 O CYS A 113 -11.929 0.825 5.072 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.887 1.635 3.139 1.00 0.00 C ATOM 1519 SG CYS A 113 -12.520 2.290 2.127 1.00 0.00 S ATOM 0 H CYS A 113 -14.828 0.485 5.317 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.785 -0.468 2.719 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.814 1.709 2.570 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -14.004 2.264 4.022 1.00 0.00 H new ATOM 1524 N SER A 114 -11.592 -1.002 3.786 1.00 0.00 N ATOM 1525 CA SER A 114 -10.260 -1.255 4.318 1.00 0.00 C ATOM 1526 C SER A 114 -9.486 -2.224 3.436 1.00 0.00 C ATOM 1527 O SER A 114 -10.005 -3.264 3.029 1.00 0.00 O ATOM 1528 CB SER A 114 -10.353 -1.809 5.741 1.00 0.00 C ATOM 1529 OG SER A 114 -9.162 -1.557 6.466 1.00 0.00 O ATOM 0 H SER A 114 -11.902 -1.670 3.080 1.00 0.00 H new ATOM 0 HA SER A 114 -9.723 -0.306 4.335 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.199 -1.355 6.257 1.00 0.00 H new ATOM 0 HB3 SER A 114 -10.540 -2.882 5.705 1.00 0.00 H new ATOM 0 HG SER A 114 -9.248 -1.919 7.372 1.00 0.00 H new ATOM 1535 N GLY A 115 -8.233 -1.882 3.160 1.00 0.00 N ATOM 1536 CA GLY A 115 -7.399 -2.727 2.326 1.00 0.00 C ATOM 1537 C GLY A 115 -7.509 -2.379 0.856 1.00 0.00 C ATOM 1538 O GLY A 115 -7.103 -3.159 -0.005 1.00 0.00 O ATOM 0 H GLY A 115 -7.779 -1.034 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.360 -2.632 2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.683 -3.769 2.472 1.00 0.00 H new ATOM 1542 N GLY A 116 -8.043 -1.197 0.567 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.210 -0.781 -0.806 1.00 0.00 C ATOM 1544 C GLY A 116 -9.513 -1.275 -1.395 1.00 0.00 C ATOM 1545 O GLY A 116 -9.805 -1.026 -2.565 1.00 0.00 O ATOM 0 H GLY A 116 -8.362 -0.522 1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.177 0.307 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.378 -1.156 -1.402 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.311 -1.966 -0.581 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.570 -2.509 -1.043 1.00 0.00 C ATOM 1551 C GLU A 117 -12.676 -2.324 -0.014 1.00 0.00 C ATOM 1552 O GLU A 117 -12.509 -1.651 1.002 1.00 0.00 O ATOM 1553 CB GLU A 117 -11.404 -3.997 -1.355 1.00 0.00 C ATOM 1554 CG GLU A 117 -11.312 -4.881 -0.121 1.00 0.00 C ATOM 1555 CD GLU A 117 -10.788 -6.268 -0.435 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -10.863 -7.145 0.450 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -10.305 -6.478 -1.568 1.00 0.00 O ATOM 0 H GLU A 117 -10.101 -2.158 0.398 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.857 -1.967 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.246 -4.326 -1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.505 -4.134 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.659 -4.408 0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.298 -4.964 0.336 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.793 -2.967 -0.295 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.962 -2.936 0.571 1.00 0.00 C ATOM 1566 C TRP A 118 -15.280 -4.336 1.084 1.00 0.00 C ATOM 1567 O TRP A 118 -14.875 -5.330 0.481 1.00 0.00 O ATOM 1568 CB TRP A 118 -16.162 -2.389 -0.197 1.00 0.00 C ATOM 1569 CG TRP A 118 -16.033 -0.944 -0.550 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.551 -0.429 -1.717 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -16.392 0.173 0.267 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.585 0.942 -1.677 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -16.100 1.335 -0.467 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.933 0.302 1.550 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -16.330 2.610 0.038 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -17.163 1.570 2.050 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.853 2.709 1.298 1.00 0.00 C ATOM 0 H TRP A 118 -13.918 -3.530 -1.136 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.748 -2.288 1.421 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.293 -2.968 -1.111 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -17.062 -2.530 0.402 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -15.194 -1.015 -2.551 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -15.278 1.566 -2.423 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -17.167 -0.573 2.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -16.104 3.491 -0.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -17.588 1.684 3.036 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -17.030 3.687 1.721 1.00 0.00 H new ATOM 1588 N SER A 119 -16.028 -4.414 2.178 1.00 0.00 N ATOM 1589 CA SER A 119 -16.381 -5.699 2.757 1.00 0.00 C ATOM 1590 C SER A 119 -17.816 -5.711 3.277 1.00 0.00 C ATOM 1591 O SER A 119 -18.416 -4.661 3.512 1.00 0.00 O ATOM 1592 CB SER A 119 -15.415 -6.036 3.889 1.00 0.00 C ATOM 1593 OG SER A 119 -14.334 -5.122 3.927 1.00 0.00 O ATOM 0 H SER A 119 -16.399 -3.606 2.678 1.00 0.00 H new ATOM 0 HA SER A 119 -16.307 -6.452 1.972 1.00 0.00 H new ATOM 0 HB2 SER A 119 -15.945 -6.017 4.841 1.00 0.00 H new ATOM 0 HB3 SER A 119 -15.034 -7.049 3.757 1.00 0.00 H new ATOM 0 HG SER A 119 -13.534 -5.576 4.265 1.00 0.00 H new ATOM 1599 N ASP A 120 -18.345 -6.920 3.457 1.00 0.00 N ATOM 1600 CA ASP A 120 -19.699 -7.124 3.967 1.00 0.00 C ATOM 1601 C ASP A 120 -20.725 -6.233 3.269 1.00 0.00 C ATOM 1602 O ASP A 120 -21.512 -5.551 3.927 1.00 0.00 O ATOM 1603 CB ASP A 120 -19.747 -6.896 5.482 1.00 0.00 C ATOM 1604 CG ASP A 120 -19.087 -5.598 5.905 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -19.655 -4.523 5.620 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -18.004 -5.657 6.523 1.00 0.00 O ATOM 0 H ASP A 120 -17.846 -7.786 3.253 1.00 0.00 H new ATOM 0 HA ASP A 120 -19.965 -8.159 3.750 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -20.786 -6.893 5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -19.255 -7.729 5.985 1.00 0.00 H new ATOM 1611 N PRO A 121 -20.778 -6.275 1.926 1.00 0.00 N ATOM 1612 CA PRO A 121 -21.757 -5.513 1.151 1.00 0.00 C ATOM 1613 C PRO A 121 -23.114 -6.215 1.124 1.00 0.00 C ATOM 1614 O PRO A 121 -23.184 -7.444 1.154 1.00 0.00 O ATOM 1615 CB PRO A 121 -21.136 -5.477 -0.241 1.00 0.00 C ATOM 1616 CG PRO A 121 -20.378 -6.759 -0.338 1.00 0.00 C ATOM 1617 CD PRO A 121 -19.899 -7.081 1.057 1.00 0.00 C ATOM 0 HA PRO A 121 -21.952 -4.524 1.565 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -21.899 -5.406 -1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -20.479 -4.616 -0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -21.013 -7.557 -0.724 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -19.537 -6.661 -1.024 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -19.988 -8.145 1.275 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -18.851 -6.815 1.191 1.00 0.00 H new ATOM 1625 N PRO A 122 -24.215 -5.447 1.082 1.00 0.00 N ATOM 1626 CA PRO A 122 -25.564 -6.001 1.110 1.00 0.00 C ATOM 1627 C PRO A 122 -26.154 -6.264 -0.264 1.00 0.00 C ATOM 1628 O PRO A 122 -25.487 -6.131 -1.290 1.00 0.00 O ATOM 1629 CB PRO A 122 -26.363 -4.901 1.796 1.00 0.00 C ATOM 1630 CG PRO A 122 -25.655 -3.629 1.450 1.00 0.00 C ATOM 1631 CD PRO A 122 -24.235 -3.976 1.078 1.00 0.00 C ATOM 0 HA PRO A 122 -25.576 -6.972 1.605 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -27.395 -4.886 1.444 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -26.396 -5.053 2.875 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -26.155 -3.127 0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -25.671 -2.941 2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -23.970 -3.576 0.099 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -23.523 -3.565 1.794 1.00 0.00 H new ATOM 1639 N THR A 123 -27.433 -6.615 -0.255 1.00 0.00 N ATOM 1640 CA THR A 123 -28.184 -6.868 -1.478 1.00 0.00 C ATOM 1641 C THR A 123 -29.559 -6.222 -1.384 1.00 0.00 C ATOM 1642 O THR A 123 -29.826 -5.448 -0.465 1.00 0.00 O ATOM 1643 CB THR A 123 -28.325 -8.372 -1.726 1.00 0.00 C ATOM 1644 OG1 THR A 123 -27.477 -9.104 -0.858 1.00 0.00 O ATOM 1645 CG2 THR A 123 -27.995 -8.781 -3.145 1.00 0.00 C ATOM 0 H THR A 123 -27.979 -6.732 0.599 1.00 0.00 H new ATOM 0 HA THR A 123 -27.640 -6.432 -2.316 1.00 0.00 H new ATOM 0 HB THR A 123 -29.375 -8.598 -1.537 1.00 0.00 H new ATOM 0 HG1 THR A 123 -27.582 -10.063 -1.030 1.00 0.00 H new ATOM 0 HG21 THR A 123 -28.116 -9.859 -3.250 1.00 0.00 H new ATOM 0 HG22 THR A 123 -28.666 -8.271 -3.836 1.00 0.00 H new ATOM 0 HG23 THR A 123 -26.965 -8.507 -3.372 1.00 0.00 H new ATOM 1653 N CYS A 124 -30.427 -6.536 -2.334 1.00 0.00 N ATOM 1654 CA CYS A 124 -31.767 -5.972 -2.340 1.00 0.00 C ATOM 1655 C CYS A 124 -32.780 -6.969 -2.872 1.00 0.00 C ATOM 1656 O CYS A 124 -32.977 -7.092 -4.081 1.00 0.00 O ATOM 1657 CB CYS A 124 -31.800 -4.693 -3.172 1.00 0.00 C ATOM 1658 SG CYS A 124 -31.221 -3.218 -2.276 1.00 0.00 S ATOM 0 H CYS A 124 -30.229 -7.174 -3.105 1.00 0.00 H new ATOM 0 HA CYS A 124 -32.035 -5.733 -1.311 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -31.183 -4.832 -4.060 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -32.820 -4.521 -3.516 1.00 0.00 H new ATOM 1663 N GLN A 125 -33.426 -7.674 -1.955 1.00 0.00 N ATOM 1664 CA GLN A 125 -34.427 -8.659 -2.320 1.00 0.00 C ATOM 1665 C GLN A 125 -35.746 -8.368 -1.624 1.00 0.00 C ATOM 1666 O GLN A 125 -35.781 -7.723 -0.577 1.00 0.00 O ATOM 1667 CB GLN A 125 -33.945 -10.061 -1.957 1.00 0.00 C ATOM 1668 CG GLN A 125 -32.999 -10.661 -2.982 1.00 0.00 C ATOM 1669 CD GLN A 125 -31.903 -11.495 -2.349 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -31.675 -11.427 -1.141 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -31.219 -12.290 -3.163 1.00 0.00 N ATOM 0 H GLN A 125 -33.273 -7.580 -0.951 1.00 0.00 H new ATOM 0 HA GLN A 125 -34.583 -8.604 -3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -33.444 -10.025 -0.989 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -34.809 -10.716 -1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -33.567 -11.281 -3.675 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -32.548 -9.860 -3.567 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -31.442 -12.315 -4.158 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -30.471 -12.876 -2.793 1.00 0.00 H new ATOM 1680 N ILE A 126 -36.828 -8.845 -2.217 1.00 0.00 N ATOM 1681 CA ILE A 126 -38.158 -8.641 -1.659 1.00 0.00 C ATOM 1682 C ILE A 126 -38.452 -9.662 -0.566 1.00 0.00 C ATOM 1683 O ILE A 126 -39.297 -10.542 -0.731 1.00 0.00 O ATOM 1684 CB ILE A 126 -39.241 -8.730 -2.749 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -38.966 -7.701 -3.846 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -40.622 -8.515 -2.150 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -39.174 -6.271 -3.397 1.00 0.00 C ATOM 0 H ILE A 126 -36.813 -9.378 -3.087 1.00 0.00 H new ATOM 0 HA ILE A 126 -38.177 -7.640 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 126 -39.213 -9.727 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -37.940 -7.819 -4.195 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -39.617 -7.905 -4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -41.374 -8.582 -2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -40.815 -9.279 -1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -40.668 -7.530 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -38.961 -5.595 -4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -40.207 -6.137 -3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -38.504 -6.049 -2.566 1.00 0.00 H new TER 1699 ILE A 126