USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 GLN : amide:sc= -0.885 K(o=0.28,f=-2.8!) USER MOD Set 1.2: A 89 THR OG1 : rot -90:sc= 1.17 USER MOD Set 2.1: A 35 CYS SG : rot 154:sc= 0.211 USER MOD Set 2.2: A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 40 MET CE :methyl -126:sc= -2.11 (180deg=-5.14!) USER MOD Set 3.2: A 41 TYR OH : rot 30:sc= -0.161 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0887 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0624 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -0.0603 (180deg=-0.349) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.759 X(o=-0.76,f=-0.77) USER MOD Single : A 43 TYR OH : rot 165:sc= -0.167 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 47 ASN : amide:sc= -3.88! C(o=-3.9!,f=-12!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0391 K(o=-0.039,f=-1.7) USER MOD Single : A 60 ASN : amide:sc= -10.7! C(o=-11!,f=-11!) USER MOD Single : A 62 MET CE :methyl -156:sc= -0.0234 (180deg=-0.791) USER MOD Single : A 63 ASN : amide:sc= -1.73 K(o=-1.7,f=-0.55!) USER MOD Single : A 64 LYS NZ :NH3+ -118:sc= 0.289 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.97) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 150:sc= 0.687 USER MOD Single : A 84 ASN : amide:sc= -3.83! C(o=-3.8!,f=-4.2!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 69:sc= 0.914 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -0.0642 USER MOD Single : A 96 SER OG : rot 65:sc= 0.654 USER MOD Single : A 97 SER OG : rot 32:sc= 0.604 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.988 14.876 -12.701 1.00 0.00 N ATOM 2 CA GLY A 1 -18.643 15.416 -12.776 1.00 0.00 C ATOM 3 C GLY A 1 -18.547 16.606 -13.710 1.00 0.00 C ATOM 4 O GLY A 1 -19.529 16.982 -14.351 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.335 14.943 -11.723 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.615 15.418 -13.329 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.979 13.879 -12.997 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.318 15.714 -11.779 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.960 14.637 -13.114 1.00 0.00 H new ATOM 8 N SER A 2 -17.361 17.201 -13.789 1.00 0.00 N ATOM 9 CA SER A 2 -17.141 18.358 -14.648 1.00 0.00 C ATOM 10 C SER A 2 -15.948 18.131 -15.572 1.00 0.00 C ATOM 11 O SER A 2 -16.041 18.327 -16.783 1.00 0.00 O ATOM 12 CB SER A 2 -16.914 19.612 -13.802 1.00 0.00 C ATOM 13 OG SER A 2 -15.820 19.439 -12.918 1.00 0.00 O ATOM 0 H SER A 2 -16.537 16.900 -13.268 1.00 0.00 H new ATOM 0 HA SER A 2 -18.031 18.498 -15.261 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.728 20.466 -14.454 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.815 19.838 -13.231 1.00 0.00 H new ATOM 0 HG SER A 2 -15.694 20.255 -12.390 1.00 0.00 H new ATOM 19 N SER A 3 -14.828 17.716 -14.990 1.00 0.00 N ATOM 20 CA SER A 3 -13.615 17.465 -15.759 1.00 0.00 C ATOM 21 C SER A 3 -13.949 16.865 -17.121 1.00 0.00 C ATOM 22 O SER A 3 -13.538 17.384 -18.158 1.00 0.00 O ATOM 23 CB SER A 3 -12.684 16.525 -14.990 1.00 0.00 C ATOM 24 OG SER A 3 -11.658 16.023 -15.830 1.00 0.00 O ATOM 0 H SER A 3 -14.735 17.546 -13.988 1.00 0.00 H new ATOM 0 HA SER A 3 -13.110 18.418 -15.915 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.241 17.056 -14.147 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.259 15.696 -14.578 1.00 0.00 H new ATOM 0 HG SER A 3 -11.076 15.426 -15.315 1.00 0.00 H new ATOM 30 N GLY A 4 -14.699 15.767 -17.110 1.00 0.00 N ATOM 31 CA GLY A 4 -15.077 15.114 -18.349 1.00 0.00 C ATOM 32 C GLY A 4 -14.729 13.639 -18.357 1.00 0.00 C ATOM 33 O GLY A 4 -15.614 12.785 -18.286 1.00 0.00 O ATOM 0 H GLY A 4 -15.051 15.318 -16.265 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.149 15.232 -18.506 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.577 15.607 -19.183 1.00 0.00 H new ATOM 37 N SER A 5 -13.438 13.337 -18.443 1.00 0.00 N ATOM 38 CA SER A 5 -12.976 11.954 -18.465 1.00 0.00 C ATOM 39 C SER A 5 -12.169 11.631 -17.212 1.00 0.00 C ATOM 40 O SER A 5 -11.000 12.000 -17.100 1.00 0.00 O ATOM 41 CB SER A 5 -12.127 11.697 -19.712 1.00 0.00 C ATOM 42 OG SER A 5 -12.932 11.662 -20.878 1.00 0.00 O ATOM 0 H SER A 5 -12.693 14.031 -18.499 1.00 0.00 H new ATOM 0 HA SER A 5 -13.851 11.305 -18.490 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.373 12.478 -19.810 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.595 10.752 -19.605 1.00 0.00 H new ATOM 0 HG SER A 5 -12.366 11.498 -21.661 1.00 0.00 H new ATOM 48 N SER A 6 -12.802 10.939 -16.270 1.00 0.00 N ATOM 49 CA SER A 6 -12.145 10.569 -15.021 1.00 0.00 C ATOM 50 C SER A 6 -11.031 9.557 -15.273 1.00 0.00 C ATOM 51 O SER A 6 -11.290 8.376 -15.500 1.00 0.00 O ATOM 52 CB SER A 6 -13.163 9.989 -14.037 1.00 0.00 C ATOM 53 OG SER A 6 -12.530 9.546 -12.850 1.00 0.00 O ATOM 0 H SER A 6 -13.769 10.623 -16.348 1.00 0.00 H new ATOM 0 HA SER A 6 -11.705 11.468 -14.590 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.910 10.745 -13.794 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.691 9.157 -14.503 1.00 0.00 H new ATOM 0 HG SER A 6 -13.202 9.181 -12.237 1.00 0.00 H new ATOM 59 N GLY A 7 -9.790 10.031 -15.230 1.00 0.00 N ATOM 60 CA GLY A 7 -8.654 9.156 -15.456 1.00 0.00 C ATOM 61 C GLY A 7 -7.529 9.401 -14.469 1.00 0.00 C ATOM 62 O GLY A 7 -6.893 8.459 -13.998 1.00 0.00 O ATOM 0 H GLY A 7 -9.551 11.005 -15.043 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.978 8.118 -15.382 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.282 9.303 -16.470 1.00 0.00 H new ATOM 66 N GLN A 8 -7.283 10.669 -14.158 1.00 0.00 N ATOM 67 CA GLN A 8 -6.225 11.034 -13.223 1.00 0.00 C ATOM 68 C GLN A 8 -6.761 11.111 -11.797 1.00 0.00 C ATOM 69 O GLN A 8 -7.803 11.717 -11.546 1.00 0.00 O ATOM 70 CB GLN A 8 -5.604 12.375 -13.620 1.00 0.00 C ATOM 71 CG GLN A 8 -4.429 12.242 -14.575 1.00 0.00 C ATOM 72 CD GLN A 8 -4.864 12.087 -16.019 1.00 0.00 C ATOM 73 OE1 GLN A 8 -4.733 11.014 -16.608 1.00 0.00 O ATOM 74 NE2 GLN A 8 -5.387 13.162 -16.598 1.00 0.00 N ATOM 0 H GLN A 8 -7.801 11.461 -14.539 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.458 10.261 -13.262 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.369 12.997 -14.083 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.273 12.893 -12.720 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.791 13.121 -14.484 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.827 11.380 -14.286 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.477 14.031 -16.072 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.699 13.118 -17.568 1.00 0.00 H new ATOM 83 N LYS A 9 -6.042 10.494 -10.866 1.00 0.00 N ATOM 84 CA LYS A 9 -6.444 10.492 -9.465 1.00 0.00 C ATOM 85 C LYS A 9 -5.226 10.561 -8.549 1.00 0.00 C ATOM 86 O LYS A 9 -4.115 10.219 -8.952 1.00 0.00 O ATOM 87 CB LYS A 9 -7.263 9.238 -9.149 1.00 0.00 C ATOM 88 CG LYS A 9 -8.279 9.439 -8.038 1.00 0.00 C ATOM 89 CD LYS A 9 -9.612 9.925 -8.582 1.00 0.00 C ATOM 90 CE LYS A 9 -10.640 10.090 -7.473 1.00 0.00 C ATOM 91 NZ LYS A 9 -11.868 10.781 -7.954 1.00 0.00 N ATOM 0 H LYS A 9 -5.177 9.988 -11.057 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.060 11.374 -9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.783 8.917 -10.052 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.585 8.432 -8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.424 8.501 -7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.894 10.161 -7.318 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.472 10.877 -9.094 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.984 9.217 -9.322 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.906 9.110 -7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.201 10.658 -6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.544 10.874 -7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.618 11.726 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.301 10.226 -8.720 1.00 0.00 H new ATOM 105 N GLY A 10 -5.443 11.004 -7.314 1.00 0.00 N ATOM 106 CA GLY A 10 -4.354 11.107 -6.361 1.00 0.00 C ATOM 107 C GLY A 10 -4.803 11.667 -5.026 1.00 0.00 C ATOM 108 O GLY A 10 -4.435 12.782 -4.658 1.00 0.00 O ATOM 0 H GLY A 10 -6.354 11.293 -6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.914 10.121 -6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.572 11.744 -6.775 1.00 0.00 H new ATOM 112 N TRP A 11 -5.601 10.892 -4.300 1.00 0.00 N ATOM 113 CA TRP A 11 -6.102 11.318 -2.998 1.00 0.00 C ATOM 114 C TRP A 11 -4.953 11.592 -2.035 1.00 0.00 C ATOM 115 O TRP A 11 -3.783 11.536 -2.417 1.00 0.00 O ATOM 116 CB TRP A 11 -7.032 10.254 -2.414 1.00 0.00 C ATOM 117 CG TRP A 11 -6.317 9.237 -1.575 1.00 0.00 C ATOM 118 CD1 TRP A 11 -6.275 9.184 -0.211 1.00 0.00 C ATOM 119 CD2 TRP A 11 -5.542 8.130 -2.046 1.00 0.00 C ATOM 120 NE1 TRP A 11 -5.520 8.110 0.194 1.00 0.00 N ATOM 121 CE2 TRP A 11 -5.059 7.447 -0.912 1.00 0.00 C ATOM 122 CE3 TRP A 11 -5.209 7.648 -3.315 1.00 0.00 C ATOM 123 CZ2 TRP A 11 -4.262 6.310 -1.012 1.00 0.00 C ATOM 124 CZ3 TRP A 11 -4.418 6.519 -3.412 1.00 0.00 C ATOM 125 CH2 TRP A 11 -3.952 5.860 -2.266 1.00 0.00 C ATOM 0 H TRP A 11 -5.915 9.966 -4.591 1.00 0.00 H new ATOM 0 HA TRP A 11 -6.662 12.243 -3.137 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.796 10.742 -1.809 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.547 9.745 -3.229 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.763 9.883 0.452 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.333 7.849 1.162 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -5.563 8.149 -4.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.901 5.801 -0.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.154 6.138 -4.388 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.336 4.980 -2.375 1.00 0.00 H new ATOM 136 N PHE A 12 -5.292 11.887 -0.785 1.00 0.00 N ATOM 137 CA PHE A 12 -4.287 12.170 0.233 1.00 0.00 C ATOM 138 C PHE A 12 -4.543 11.349 1.494 1.00 0.00 C ATOM 139 O PHE A 12 -5.684 11.127 1.900 1.00 0.00 O ATOM 140 CB PHE A 12 -4.282 13.661 0.575 1.00 0.00 C ATOM 141 CG PHE A 12 -5.559 14.135 1.209 1.00 0.00 C ATOM 142 CD1 PHE A 12 -6.703 14.308 0.446 1.00 0.00 C ATOM 143 CD2 PHE A 12 -5.616 14.406 2.566 1.00 0.00 C ATOM 144 CE1 PHE A 12 -7.880 14.744 1.026 1.00 0.00 C ATOM 145 CE2 PHE A 12 -6.790 14.843 3.152 1.00 0.00 C ATOM 146 CZ PHE A 12 -7.923 15.011 2.381 1.00 0.00 C ATOM 0 H PHE A 12 -6.255 11.936 -0.452 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.312 11.893 -0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.452 13.868 1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.103 14.234 -0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.675 14.100 -0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.733 14.274 3.174 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.765 14.876 0.421 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.821 15.053 4.211 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.842 15.351 2.836 1.00 0.00 H new ATOM 156 N PRO A 13 -3.456 10.885 2.128 1.00 0.00 N ATOM 157 CA PRO A 13 -3.536 10.080 3.351 1.00 0.00 C ATOM 158 C PRO A 13 -4.008 10.894 4.550 1.00 0.00 C ATOM 159 O PRO A 13 -4.023 12.124 4.511 1.00 0.00 O ATOM 160 CB PRO A 13 -2.095 9.608 3.559 1.00 0.00 C ATOM 161 CG PRO A 13 -1.257 10.633 2.876 1.00 0.00 C ATOM 162 CD PRO A 13 -2.065 11.110 1.700 1.00 0.00 C ATOM 0 HA PRO A 13 -4.256 9.267 3.258 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.850 9.539 4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.937 8.618 3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.023 11.458 3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.308 10.208 2.551 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.876 12.161 1.483 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.827 10.550 0.795 1.00 0.00 H new ATOM 170 N ALA A 14 -4.394 10.200 5.616 1.00 0.00 N ATOM 171 CA ALA A 14 -4.865 10.859 6.828 1.00 0.00 C ATOM 172 C ALA A 14 -3.785 11.761 7.417 1.00 0.00 C ATOM 173 O ALA A 14 -2.803 11.281 7.983 1.00 0.00 O ATOM 174 CB ALA A 14 -5.310 9.826 7.852 1.00 0.00 C ATOM 0 H ALA A 14 -4.390 9.181 5.665 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.719 11.483 6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.659 10.333 8.752 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.120 9.226 7.436 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.471 9.178 8.103 1.00 0.00 H new ATOM 180 N SER A 15 -3.974 13.069 7.281 1.00 0.00 N ATOM 181 CA SER A 15 -3.014 14.038 7.796 1.00 0.00 C ATOM 182 C SER A 15 -3.323 14.389 9.248 1.00 0.00 C ATOM 183 O SER A 15 -4.485 14.517 9.634 1.00 0.00 O ATOM 184 CB SER A 15 -3.026 15.305 6.939 1.00 0.00 C ATOM 185 OG SER A 15 -4.310 15.904 6.933 1.00 0.00 O ATOM 0 H SER A 15 -4.784 13.483 6.818 1.00 0.00 H new ATOM 0 HA SER A 15 -2.022 13.588 7.752 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.292 16.014 7.322 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.730 15.061 5.919 1.00 0.00 H new ATOM 0 HG SER A 15 -4.291 16.713 6.380 1.00 0.00 H new ATOM 191 N HIS A 16 -2.273 14.545 10.049 1.00 0.00 N ATOM 192 CA HIS A 16 -2.431 14.882 11.459 1.00 0.00 C ATOM 193 C HIS A 16 -2.934 16.313 11.623 1.00 0.00 C ATOM 194 O HIS A 16 -2.237 17.270 11.283 1.00 0.00 O ATOM 195 CB HIS A 16 -1.104 14.708 12.199 1.00 0.00 C ATOM 196 CG HIS A 16 -1.191 15.005 13.664 1.00 0.00 C ATOM 197 ND1 HIS A 16 -2.221 14.555 14.463 1.00 0.00 N ATOM 198 CD2 HIS A 16 -0.368 15.709 14.475 1.00 0.00 C ATOM 199 CE1 HIS A 16 -2.029 14.971 15.702 1.00 0.00 C ATOM 200 NE2 HIS A 16 -0.911 15.674 15.736 1.00 0.00 N ATOM 0 H HIS A 16 -1.305 14.443 9.745 1.00 0.00 H new ATOM 0 HA HIS A 16 -3.169 14.205 11.888 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.754 13.684 12.064 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.358 15.362 11.748 1.00 0.00 H new ATOM 0 HD2 HIS A 16 0.546 16.206 14.185 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.676 14.771 16.544 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.515 16.119 16.564 1.00 0.00 H new ATOM 209 N VAL A 17 -4.149 16.453 12.144 1.00 0.00 N ATOM 210 CA VAL A 17 -4.745 17.767 12.352 1.00 0.00 C ATOM 211 C VAL A 17 -4.649 18.188 13.814 1.00 0.00 C ATOM 212 O VAL A 17 -5.121 17.484 14.707 1.00 0.00 O ATOM 213 CB VAL A 17 -6.223 17.788 11.919 1.00 0.00 C ATOM 214 CG1 VAL A 17 -7.035 16.802 12.746 1.00 0.00 C ATOM 215 CG2 VAL A 17 -6.793 19.193 12.039 1.00 0.00 C ATOM 0 H VAL A 17 -4.740 15.672 12.430 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.184 18.470 11.736 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.282 17.485 10.874 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.077 16.830 12.426 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.639 15.796 12.605 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.971 17.072 13.800 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.838 19.189 11.729 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.723 19.527 13.074 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.227 19.871 11.400 1.00 0.00 H new ATOM 225 N LYS A 18 -4.034 19.342 14.052 1.00 0.00 N ATOM 226 CA LYS A 18 -3.877 19.860 15.406 1.00 0.00 C ATOM 227 C LYS A 18 -5.117 20.634 15.840 1.00 0.00 C ATOM 228 O LYS A 18 -5.015 21.699 16.450 1.00 0.00 O ATOM 229 CB LYS A 18 -2.644 20.763 15.488 1.00 0.00 C ATOM 230 CG LYS A 18 -1.329 20.004 15.442 1.00 0.00 C ATOM 231 CD LYS A 18 -0.198 20.878 14.926 1.00 0.00 C ATOM 232 CE LYS A 18 1.162 20.302 15.289 1.00 0.00 C ATOM 233 NZ LYS A 18 1.420 20.372 16.754 1.00 0.00 N ATOM 0 H LYS A 18 -3.636 19.936 13.325 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.746 19.013 16.079 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.671 21.476 14.664 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.688 21.341 16.411 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.083 19.640 16.440 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.435 19.129 14.801 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.276 20.974 13.843 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.293 21.881 15.343 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.217 19.264 14.960 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.941 20.847 14.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.442 20.298 16.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.069 21.278 17.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.929 19.589 17.231 1.00 0.00 H new ATOM 247 N LEU A 19 -6.288 20.093 15.523 1.00 0.00 N ATOM 248 CA LEU A 19 -7.549 20.732 15.882 1.00 0.00 C ATOM 249 C LEU A 19 -8.254 19.961 16.993 1.00 0.00 C ATOM 250 O LEU A 19 -8.506 18.762 16.868 1.00 0.00 O ATOM 251 CB LEU A 19 -8.460 20.831 14.657 1.00 0.00 C ATOM 252 CG LEU A 19 -9.737 21.653 14.835 1.00 0.00 C ATOM 253 CD1 LEU A 19 -9.460 23.128 14.586 1.00 0.00 C ATOM 254 CD2 LEU A 19 -10.830 21.149 13.904 1.00 0.00 C ATOM 0 H LEU A 19 -6.391 19.213 15.018 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.328 21.736 16.246 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.886 21.261 13.836 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.740 19.822 14.355 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.081 21.537 15.863 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.380 23.698 14.717 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.710 23.482 15.293 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.092 23.262 13.569 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.731 21.746 14.044 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.495 21.235 12.870 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.047 20.105 14.130 1.00 0.00 H new ATOM 266 N LEU A 20 -8.571 20.656 18.080 1.00 0.00 N ATOM 267 CA LEU A 20 -9.249 20.038 19.214 1.00 0.00 C ATOM 268 C LEU A 20 -10.564 20.750 19.516 1.00 0.00 C ATOM 269 O LEU A 20 -10.847 21.812 18.964 1.00 0.00 O ATOM 270 CB LEU A 20 -8.347 20.062 20.448 1.00 0.00 C ATOM 271 CG LEU A 20 -7.681 21.401 20.767 1.00 0.00 C ATOM 272 CD1 LEU A 20 -8.634 22.300 21.541 1.00 0.00 C ATOM 273 CD2 LEU A 20 -6.395 21.184 21.551 1.00 0.00 C ATOM 0 H LEU A 20 -8.369 21.649 18.200 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.469 19.003 18.954 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.939 19.758 21.312 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.566 19.313 20.317 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.431 21.894 19.827 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.143 23.248 21.759 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.527 22.483 20.944 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.915 21.814 22.475 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.935 22.148 21.769 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.621 20.670 22.485 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.707 20.579 20.961 1.00 0.00 H new ATOM 285 N GLY A 21 -11.362 20.158 20.399 1.00 0.00 N ATOM 286 CA GLY A 21 -12.636 20.750 20.762 1.00 0.00 C ATOM 287 C GLY A 21 -13.368 19.949 21.820 1.00 0.00 C ATOM 288 O GLY A 21 -12.813 19.039 22.436 1.00 0.00 O ATOM 0 H GLY A 21 -11.149 19.279 20.870 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.471 21.763 21.128 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.262 20.830 19.873 1.00 0.00 H new ATOM 292 N PRO A 22 -14.647 20.288 22.045 1.00 0.00 N ATOM 293 CA PRO A 22 -15.483 19.606 23.037 1.00 0.00 C ATOM 294 C PRO A 22 -15.832 18.181 22.620 1.00 0.00 C ATOM 295 O PRO A 22 -16.577 17.487 23.311 1.00 0.00 O ATOM 296 CB PRO A 22 -16.745 20.470 23.091 1.00 0.00 C ATOM 297 CG PRO A 22 -16.802 21.141 21.762 1.00 0.00 C ATOM 298 CD PRO A 22 -15.374 21.362 21.348 1.00 0.00 C ATOM 0 HA PRO A 22 -14.976 19.506 23.997 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.633 19.863 23.266 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.692 21.198 23.900 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.328 20.522 21.035 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -17.341 22.086 21.825 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.254 21.293 20.267 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -15.017 22.348 21.646 1.00 0.00 H new ATOM 306 N SER A 23 -15.287 17.751 21.487 1.00 0.00 N ATOM 307 CA SER A 23 -15.543 16.409 20.976 1.00 0.00 C ATOM 308 C SER A 23 -14.777 15.365 21.783 1.00 0.00 C ATOM 309 O SER A 23 -13.593 15.537 22.075 1.00 0.00 O ATOM 310 CB SER A 23 -15.151 16.318 19.501 1.00 0.00 C ATOM 311 OG SER A 23 -16.004 17.114 18.696 1.00 0.00 O ATOM 0 H SER A 23 -14.665 18.312 20.905 1.00 0.00 H new ATOM 0 HA SER A 23 -16.610 16.208 21.074 1.00 0.00 H new ATOM 0 HB2 SER A 23 -14.119 16.644 19.375 1.00 0.00 H new ATOM 0 HB3 SER A 23 -15.200 15.280 19.172 1.00 0.00 H new ATOM 0 HG SER A 23 -15.731 17.040 17.758 1.00 0.00 H new ATOM 317 N SER A 24 -15.461 14.283 22.141 1.00 0.00 N ATOM 318 CA SER A 24 -14.847 13.213 22.917 1.00 0.00 C ATOM 319 C SER A 24 -13.503 12.808 22.318 1.00 0.00 C ATOM 320 O SER A 24 -13.244 13.040 21.137 1.00 0.00 O ATOM 321 CB SER A 24 -15.777 11.999 22.978 1.00 0.00 C ATOM 322 OG SER A 24 -17.011 12.333 23.589 1.00 0.00 O ATOM 0 H SER A 24 -16.441 14.125 21.906 1.00 0.00 H new ATOM 0 HA SER A 24 -14.678 13.584 23.928 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.956 11.623 21.971 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.296 11.196 23.537 1.00 0.00 H new ATOM 0 HG SER A 24 -17.588 11.541 23.615 1.00 0.00 H new ATOM 328 N GLU A 25 -12.653 12.202 23.141 1.00 0.00 N ATOM 329 CA GLU A 25 -11.336 11.766 22.692 1.00 0.00 C ATOM 330 C GLU A 25 -11.301 10.253 22.497 1.00 0.00 C ATOM 331 O GLU A 25 -11.421 9.490 23.456 1.00 0.00 O ATOM 332 CB GLU A 25 -10.264 12.187 23.700 1.00 0.00 C ATOM 333 CG GLU A 25 -8.848 12.095 23.156 1.00 0.00 C ATOM 334 CD GLU A 25 -7.798 12.186 24.246 1.00 0.00 C ATOM 335 OE1 GLU A 25 -7.401 13.318 24.594 1.00 0.00 O ATOM 336 OE2 GLU A 25 -7.374 11.126 24.752 1.00 0.00 O ATOM 0 H GLU A 25 -12.853 12.002 24.121 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.131 12.243 21.734 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.457 13.212 24.016 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.345 11.559 24.587 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.729 11.154 22.620 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.687 12.896 22.434 1.00 0.00 H new ATOM 343 N ARG A 26 -11.136 9.827 21.250 1.00 0.00 N ATOM 344 CA ARG A 26 -11.087 8.405 20.928 1.00 0.00 C ATOM 345 C ARG A 26 -9.748 8.037 20.296 1.00 0.00 C ATOM 346 O ARG A 26 -9.237 8.755 19.437 1.00 0.00 O ATOM 347 CB ARG A 26 -12.230 8.035 19.981 1.00 0.00 C ATOM 348 CG ARG A 26 -13.588 7.973 20.660 1.00 0.00 C ATOM 349 CD ARG A 26 -14.694 7.658 19.665 1.00 0.00 C ATOM 350 NE ARG A 26 -14.856 8.717 18.672 1.00 0.00 N ATOM 351 CZ ARG A 26 -15.421 8.531 17.484 1.00 0.00 C ATOM 352 NH1 ARG A 26 -15.876 7.333 17.143 1.00 0.00 N ATOM 353 NH2 ARG A 26 -15.532 9.544 16.635 1.00 0.00 N ATOM 0 H ARG A 26 -11.034 10.445 20.445 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.198 7.844 21.856 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.271 8.764 19.172 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.016 7.067 19.527 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.572 7.212 21.440 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.796 8.925 21.148 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.470 6.719 19.160 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.633 7.516 20.200 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.517 9.651 18.903 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.793 6.552 17.793 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.309 7.193 16.230 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.183 10.467 16.894 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.966 9.400 15.723 1.00 0.00 H new ATOM 367 N ALA A 27 -9.185 6.913 20.728 1.00 0.00 N ATOM 368 CA ALA A 27 -7.907 6.449 20.203 1.00 0.00 C ATOM 369 C ALA A 27 -8.049 5.084 19.538 1.00 0.00 C ATOM 370 O ALA A 27 -7.114 4.283 19.533 1.00 0.00 O ATOM 371 CB ALA A 27 -6.870 6.391 21.315 1.00 0.00 C ATOM 0 H ALA A 27 -9.594 6.307 21.440 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.574 7.159 19.446 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.920 6.043 20.909 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.739 7.385 21.743 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.207 5.704 22.091 1.00 0.00 H new ATOM 377 N THR A 28 -9.227 4.824 18.979 1.00 0.00 N ATOM 378 CA THR A 28 -9.493 3.555 18.312 1.00 0.00 C ATOM 379 C THR A 28 -9.388 3.696 16.798 1.00 0.00 C ATOM 380 O THR A 28 -9.721 4.732 16.223 1.00 0.00 O ATOM 381 CB THR A 28 -10.890 3.014 18.670 1.00 0.00 C ATOM 382 OG1 THR A 28 -11.883 4.011 18.406 1.00 0.00 O ATOM 383 CG2 THR A 28 -10.953 2.604 20.134 1.00 0.00 C ATOM 0 H THR A 28 -10.012 5.475 18.975 1.00 0.00 H new ATOM 0 HA THR A 28 -8.738 2.851 18.661 1.00 0.00 H new ATOM 0 HB THR A 28 -11.084 2.136 18.054 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.769 3.659 18.634 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.949 2.225 20.363 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.215 1.825 20.326 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.740 3.468 20.763 1.00 0.00 H new ATOM 391 N PRO A 29 -8.913 2.631 16.135 1.00 0.00 N ATOM 392 CA PRO A 29 -8.754 2.612 14.678 1.00 0.00 C ATOM 393 C PRO A 29 -10.094 2.592 13.949 1.00 0.00 C ATOM 394 O PRO A 29 -10.336 3.401 13.055 1.00 0.00 O ATOM 395 CB PRO A 29 -7.987 1.312 14.422 1.00 0.00 C ATOM 396 CG PRO A 29 -8.321 0.440 15.583 1.00 0.00 C ATOM 397 CD PRO A 29 -8.496 1.363 16.757 1.00 0.00 C ATOM 0 HA PRO A 29 -8.244 3.503 14.312 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -8.290 0.852 13.481 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.914 1.492 14.358 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.232 -0.129 15.395 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.527 -0.283 15.770 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.248 0.990 17.453 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.570 1.477 17.320 1.00 0.00 H new ATOM 405 N ALA A 30 -10.960 1.662 14.339 1.00 0.00 N ATOM 406 CA ALA A 30 -12.276 1.539 13.724 1.00 0.00 C ATOM 407 C ALA A 30 -12.182 1.623 12.204 1.00 0.00 C ATOM 408 O ALA A 30 -13.090 2.125 11.542 1.00 0.00 O ATOM 409 CB ALA A 30 -13.210 2.616 14.256 1.00 0.00 C ATOM 0 H ALA A 30 -10.774 0.983 15.077 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.681 0.561 13.984 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.189 2.512 13.788 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.311 2.509 15.336 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.800 3.599 14.025 1.00 0.00 H new ATOM 415 N PHE A 31 -11.077 1.128 11.656 1.00 0.00 N ATOM 416 CA PHE A 31 -10.863 1.148 10.214 1.00 0.00 C ATOM 417 C PHE A 31 -10.875 -0.267 9.643 1.00 0.00 C ATOM 418 O PHE A 31 -10.647 -1.241 10.361 1.00 0.00 O ATOM 419 CB PHE A 31 -9.535 1.832 9.883 1.00 0.00 C ATOM 420 CG PHE A 31 -8.337 1.118 10.441 1.00 0.00 C ATOM 421 CD1 PHE A 31 -7.993 -0.145 9.987 1.00 0.00 C ATOM 422 CD2 PHE A 31 -7.556 1.709 11.421 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.892 -0.805 10.498 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.453 1.054 11.935 1.00 0.00 C ATOM 425 CZ PHE A 31 -6.121 -0.205 11.474 1.00 0.00 C ATOM 0 H PHE A 31 -10.316 0.708 12.189 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.677 1.712 9.759 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -9.433 1.905 8.800 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.554 2.851 10.270 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.593 -0.619 9.224 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.812 2.692 11.787 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.635 -1.789 10.135 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.851 1.526 12.697 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.260 -0.719 11.876 1.00 0.00 H new ATOM 435 N HIS A 32 -11.144 -0.372 8.345 1.00 0.00 N ATOM 436 CA HIS A 32 -11.187 -1.668 7.676 1.00 0.00 C ATOM 437 C HIS A 32 -10.411 -1.627 6.363 1.00 0.00 C ATOM 438 O HIS A 32 -10.841 -1.026 5.378 1.00 0.00 O ATOM 439 CB HIS A 32 -12.635 -2.082 7.413 1.00 0.00 C ATOM 440 CG HIS A 32 -13.320 -1.242 6.380 1.00 0.00 C ATOM 441 ND1 HIS A 32 -13.739 -1.738 5.163 1.00 0.00 N ATOM 442 CD2 HIS A 32 -13.662 0.067 6.388 1.00 0.00 C ATOM 443 CE1 HIS A 32 -14.306 -0.770 4.467 1.00 0.00 C ATOM 444 NE2 HIS A 32 -14.273 0.336 5.188 1.00 0.00 N ATOM 0 H HIS A 32 -11.335 0.424 7.736 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.720 -2.403 8.331 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.654 -3.124 7.093 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -13.196 -2.025 8.346 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -13.487 0.770 7.189 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.725 -0.866 3.476 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.641 1.243 4.900 1.00 0.00 H new ATOM 453 N PRO A 33 -9.239 -2.280 6.347 1.00 0.00 N ATOM 454 CA PRO A 33 -8.379 -2.332 5.161 1.00 0.00 C ATOM 455 C PRO A 33 -8.979 -3.181 4.046 1.00 0.00 C ATOM 456 O PRO A 33 -10.009 -3.830 4.232 1.00 0.00 O ATOM 457 CB PRO A 33 -7.091 -2.972 5.686 1.00 0.00 C ATOM 458 CG PRO A 33 -7.519 -3.771 6.868 1.00 0.00 C ATOM 459 CD PRO A 33 -8.665 -3.017 7.484 1.00 0.00 C ATOM 0 HA PRO A 33 -8.233 -1.346 4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.626 -3.603 4.929 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.358 -2.215 5.964 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.826 -4.774 6.571 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.700 -3.886 7.579 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.393 -3.691 7.935 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.326 -2.342 8.270 1.00 0.00 H new ATOM 467 N VAL A 34 -8.329 -3.173 2.887 1.00 0.00 N ATOM 468 CA VAL A 34 -8.798 -3.944 1.742 1.00 0.00 C ATOM 469 C VAL A 34 -8.159 -5.328 1.712 1.00 0.00 C ATOM 470 O VAL A 34 -8.820 -6.322 1.408 1.00 0.00 O ATOM 471 CB VAL A 34 -8.494 -3.222 0.416 1.00 0.00 C ATOM 472 CG1 VAL A 34 -9.551 -3.552 -0.627 1.00 0.00 C ATOM 473 CG2 VAL A 34 -8.403 -1.720 0.637 1.00 0.00 C ATOM 0 H VAL A 34 -7.476 -2.641 2.716 1.00 0.00 H new ATOM 0 HA VAL A 34 -9.878 -4.047 1.852 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.531 -3.571 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.319 -3.033 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.563 -4.627 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -10.529 -3.233 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.188 -1.225 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.350 -1.352 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.606 -1.505 1.348 1.00 0.00 H new ATOM 483 N CYS A 35 -6.871 -5.386 2.030 1.00 0.00 N ATOM 484 CA CYS A 35 -6.142 -6.649 2.040 1.00 0.00 C ATOM 485 C CYS A 35 -4.737 -6.461 2.604 1.00 0.00 C ATOM 486 O CYS A 35 -4.379 -5.373 3.054 1.00 0.00 O ATOM 487 CB CYS A 35 -6.064 -7.228 0.627 1.00 0.00 C ATOM 488 SG CYS A 35 -5.215 -6.162 -0.562 1.00 0.00 S ATOM 0 H CYS A 35 -6.310 -4.573 2.284 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.681 -7.346 2.681 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.552 -8.189 0.668 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.075 -7.421 0.269 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.709 -6.890 -1.513 1.00 0.00 H new ATOM 494 N GLN A 36 -3.946 -7.529 2.577 1.00 0.00 N ATOM 495 CA GLN A 36 -2.582 -7.482 3.088 1.00 0.00 C ATOM 496 C GLN A 36 -1.577 -7.804 1.987 1.00 0.00 C ATOM 497 O GLN A 36 -1.669 -8.843 1.332 1.00 0.00 O ATOM 498 CB GLN A 36 -2.415 -8.463 4.250 1.00 0.00 C ATOM 499 CG GLN A 36 -1.139 -8.250 5.048 1.00 0.00 C ATOM 500 CD GLN A 36 -0.611 -9.533 5.658 1.00 0.00 C ATOM 501 OE1 GLN A 36 -0.243 -10.468 4.945 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.571 -9.586 6.984 1.00 0.00 N ATOM 0 H GLN A 36 -4.227 -8.437 2.207 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.390 -6.470 3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.271 -8.371 4.918 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.424 -9.481 3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.376 -7.820 4.399 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.327 -7.526 5.841 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.886 -8.788 7.536 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.225 -10.425 7.451 1.00 0.00 H new ATOM 511 N VAL A 37 -0.617 -6.907 1.788 1.00 0.00 N ATOM 512 CA VAL A 37 0.406 -7.096 0.766 1.00 0.00 C ATOM 513 C VAL A 37 1.799 -7.147 1.385 1.00 0.00 C ATOM 514 O VAL A 37 1.982 -6.806 2.554 1.00 0.00 O ATOM 515 CB VAL A 37 0.365 -5.970 -0.285 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.984 -5.942 -0.985 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.668 -4.627 0.362 1.00 0.00 C ATOM 0 H VAL A 37 -0.526 -6.042 2.321 1.00 0.00 H new ATOM 0 HA VAL A 37 0.193 -8.047 0.278 1.00 0.00 H new ATOM 0 HB VAL A 37 1.131 -6.168 -1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.994 -5.140 -1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.155 -6.896 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.771 -5.769 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.635 -3.843 -0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.074 -4.419 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.660 -4.655 0.812 1.00 0.00 H new ATOM 527 N ILE A 38 2.776 -7.576 0.595 1.00 0.00 N ATOM 528 CA ILE A 38 4.153 -7.671 1.065 1.00 0.00 C ATOM 529 C ILE A 38 5.090 -6.842 0.193 1.00 0.00 C ATOM 530 O ILE A 38 4.949 -6.807 -1.029 1.00 0.00 O ATOM 531 CB ILE A 38 4.643 -9.131 1.082 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.740 -9.311 2.133 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.149 -9.536 -0.294 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.212 -9.699 3.497 1.00 0.00 C ATOM 0 H ILE A 38 2.640 -7.864 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 38 4.167 -7.280 2.082 1.00 0.00 H new ATOM 0 HB ILE A 38 3.805 -9.777 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.437 -10.076 1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.304 -8.382 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.492 -10.570 -0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.342 -9.441 -1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.976 -8.887 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.045 -9.809 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.537 -8.924 3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.673 -10.644 3.423 1.00 0.00 H new ATOM 546 N ALA A 39 6.049 -6.177 0.830 1.00 0.00 N ATOM 547 CA ALA A 39 7.012 -5.352 0.113 1.00 0.00 C ATOM 548 C ALA A 39 7.946 -6.209 -0.735 1.00 0.00 C ATOM 549 O ALA A 39 8.641 -7.083 -0.218 1.00 0.00 O ATOM 550 CB ALA A 39 7.812 -4.504 1.090 1.00 0.00 C ATOM 0 H ALA A 39 6.179 -6.194 1.842 1.00 0.00 H new ATOM 0 HA ALA A 39 6.460 -4.692 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.528 -3.893 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.136 -3.857 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.347 -5.154 1.783 1.00 0.00 H new ATOM 556 N MET A 40 7.956 -5.953 -2.039 1.00 0.00 N ATOM 557 CA MET A 40 8.805 -6.702 -2.958 1.00 0.00 C ATOM 558 C MET A 40 10.263 -6.275 -2.821 1.00 0.00 C ATOM 559 O MET A 40 11.175 -7.091 -2.960 1.00 0.00 O ATOM 560 CB MET A 40 8.336 -6.499 -4.400 1.00 0.00 C ATOM 561 CG MET A 40 6.968 -7.098 -4.684 1.00 0.00 C ATOM 562 SD MET A 40 6.666 -7.337 -6.445 1.00 0.00 S ATOM 563 CE MET A 40 6.760 -5.649 -7.037 1.00 0.00 C ATOM 0 H MET A 40 7.386 -5.233 -2.483 1.00 0.00 H new ATOM 0 HA MET A 40 8.728 -7.759 -2.704 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.308 -5.431 -4.618 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.066 -6.943 -5.077 1.00 0.00 H new ATOM 0 HG2 MET A 40 6.882 -8.056 -4.171 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.198 -6.446 -4.273 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.854 -5.407 -7.592 1.00 0.00 H new ATOM 0 HE2 MET A 40 6.858 -4.971 -6.189 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.625 -5.540 -7.691 1.00 0.00 H new ATOM 573 N TYR A 41 10.476 -4.993 -2.546 1.00 0.00 N ATOM 574 CA TYR A 41 11.824 -4.458 -2.393 1.00 0.00 C ATOM 575 C TYR A 41 11.902 -3.511 -1.199 1.00 0.00 C ATOM 576 O TYR A 41 10.899 -2.923 -0.792 1.00 0.00 O ATOM 577 CB TYR A 41 12.253 -3.727 -3.666 1.00 0.00 C ATOM 578 CG TYR A 41 11.637 -4.293 -4.926 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.211 -5.377 -5.577 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.480 -3.743 -5.464 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.652 -5.897 -6.729 1.00 0.00 C ATOM 582 CE2 TYR A 41 9.913 -4.256 -6.614 1.00 0.00 C ATOM 583 CZ TYR A 41 10.503 -5.333 -7.243 1.00 0.00 C ATOM 584 OH TYR A 41 9.942 -5.848 -8.389 1.00 0.00 O ATOM 0 H TYR A 41 9.733 -4.305 -2.424 1.00 0.00 H new ATOM 0 HA TYR A 41 12.501 -5.294 -2.216 1.00 0.00 H new ATOM 0 HB2 TYR A 41 11.982 -2.675 -3.580 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.339 -3.770 -3.751 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.110 -5.821 -5.176 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.016 -2.900 -4.974 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.112 -6.740 -7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.013 -3.817 -7.019 1.00 0.00 H new ATOM 0 HH TYR A 41 10.135 -6.807 -8.445 1.00 0.00 H new ATOM 594 N ASP A 42 13.099 -3.369 -0.642 1.00 0.00 N ATOM 595 CA ASP A 42 13.310 -2.493 0.504 1.00 0.00 C ATOM 596 C ASP A 42 13.006 -1.042 0.143 1.00 0.00 C ATOM 597 O ASP A 42 13.840 -0.348 -0.438 1.00 0.00 O ATOM 598 CB ASP A 42 14.749 -2.614 1.008 1.00 0.00 C ATOM 599 CG ASP A 42 15.751 -2.730 -0.124 1.00 0.00 C ATOM 600 OD1 ASP A 42 16.072 -1.692 -0.741 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.215 -3.858 -0.392 1.00 0.00 O ATOM 0 H ASP A 42 13.939 -3.849 -0.966 1.00 0.00 H new ATOM 0 HA ASP A 42 12.628 -2.803 1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.992 -1.743 1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.832 -3.488 1.654 1.00 0.00 H new ATOM 606 N TYR A 43 11.805 -0.591 0.490 1.00 0.00 N ATOM 607 CA TYR A 43 11.389 0.775 0.199 1.00 0.00 C ATOM 608 C TYR A 43 11.855 1.731 1.292 1.00 0.00 C ATOM 609 O TYR A 43 11.593 1.514 2.475 1.00 0.00 O ATOM 610 CB TYR A 43 9.868 0.848 0.056 1.00 0.00 C ATOM 611 CG TYR A 43 9.385 2.087 -0.663 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.474 3.339 -0.067 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.841 2.006 -1.939 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.034 4.474 -0.720 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.400 3.136 -2.600 1.00 0.00 C ATOM 616 CZ TYR A 43 8.498 4.367 -1.987 1.00 0.00 C ATOM 617 OH TYR A 43 8.058 5.495 -2.642 1.00 0.00 O ATOM 0 H TYR A 43 11.103 -1.152 0.973 1.00 0.00 H new ATOM 0 HA TYR A 43 11.850 1.075 -0.742 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.520 -0.033 -0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.416 0.815 1.048 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.894 3.426 0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.762 1.043 -2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.109 5.439 -0.242 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.981 3.056 -3.592 1.00 0.00 H new ATOM 0 HH TYR A 43 7.935 5.294 -3.593 1.00 0.00 H new ATOM 627 N ALA A 44 12.547 2.791 0.888 1.00 0.00 N ATOM 628 CA ALA A 44 13.048 3.783 1.831 1.00 0.00 C ATOM 629 C ALA A 44 12.419 5.149 1.578 1.00 0.00 C ATOM 630 O ALA A 44 12.847 5.884 0.688 1.00 0.00 O ATOM 631 CB ALA A 44 14.564 3.874 1.747 1.00 0.00 C ATOM 0 H ALA A 44 12.774 2.985 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 44 12.770 3.465 2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.924 4.619 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.001 2.904 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.856 4.164 0.738 1.00 0.00 H new ATOM 637 N ALA A 45 11.402 5.482 2.365 1.00 0.00 N ATOM 638 CA ALA A 45 10.715 6.760 2.226 1.00 0.00 C ATOM 639 C ALA A 45 11.711 7.911 2.133 1.00 0.00 C ATOM 640 O ALA A 45 12.576 8.066 2.994 1.00 0.00 O ATOM 641 CB ALA A 45 9.762 6.977 3.392 1.00 0.00 C ATOM 0 H ALA A 45 11.035 4.884 3.106 1.00 0.00 H new ATOM 0 HA ALA A 45 10.139 6.736 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.256 7.935 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.023 6.176 3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.324 6.975 4.326 1.00 0.00 H new ATOM 647 N ASN A 46 11.584 8.715 1.083 1.00 0.00 N ATOM 648 CA ASN A 46 12.474 9.852 0.877 1.00 0.00 C ATOM 649 C ASN A 46 12.219 10.938 1.917 1.00 0.00 C ATOM 650 O ASN A 46 12.993 11.886 2.043 1.00 0.00 O ATOM 651 CB ASN A 46 12.290 10.423 -0.530 1.00 0.00 C ATOM 652 CG ASN A 46 12.867 9.519 -1.602 1.00 0.00 C ATOM 653 OD1 ASN A 46 14.030 9.121 -1.534 1.00 0.00 O ATOM 654 ND2 ASN A 46 12.053 9.189 -2.599 1.00 0.00 N ATOM 0 H ASN A 46 10.873 8.600 0.361 1.00 0.00 H new ATOM 0 HA ASN A 46 13.500 9.502 0.988 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.228 10.576 -0.721 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.768 11.401 -0.587 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.385 8.582 -3.349 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.096 9.542 -2.614 1.00 0.00 H new ATOM 661 N ASN A 47 11.127 10.793 2.661 1.00 0.00 N ATOM 662 CA ASN A 47 10.768 11.761 3.690 1.00 0.00 C ATOM 663 C ASN A 47 9.716 11.188 4.634 1.00 0.00 C ATOM 664 O ASN A 47 9.079 10.180 4.330 1.00 0.00 O ATOM 665 CB ASN A 47 10.247 13.049 3.049 1.00 0.00 C ATOM 666 CG ASN A 47 9.567 12.797 1.717 1.00 0.00 C ATOM 667 OD1 ASN A 47 10.145 12.186 0.819 1.00 0.00 O ATOM 668 ND2 ASN A 47 8.333 13.270 1.584 1.00 0.00 N ATOM 0 H ASN A 47 10.475 10.014 2.570 1.00 0.00 H new ATOM 0 HA ASN A 47 11.664 11.987 4.268 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.543 13.531 3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.076 13.742 2.905 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.825 13.132 0.710 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.893 13.771 2.356 1.00 0.00 H new ATOM 675 N GLU A 48 9.539 11.838 5.780 1.00 0.00 N ATOM 676 CA GLU A 48 8.564 11.392 6.768 1.00 0.00 C ATOM 677 C GLU A 48 7.188 11.213 6.132 1.00 0.00 C ATOM 678 O GLU A 48 6.378 10.410 6.596 1.00 0.00 O ATOM 679 CB GLU A 48 8.478 12.394 7.921 1.00 0.00 C ATOM 680 CG GLU A 48 9.574 12.222 8.960 1.00 0.00 C ATOM 681 CD GLU A 48 10.895 12.820 8.519 1.00 0.00 C ATOM 682 OE1 GLU A 48 10.976 14.062 8.408 1.00 0.00 O ATOM 683 OE2 GLU A 48 11.848 12.048 8.285 1.00 0.00 O ATOM 0 H GLU A 48 10.058 12.675 6.047 1.00 0.00 H new ATOM 0 HA GLU A 48 8.894 10.429 7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.527 13.405 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.508 12.292 8.408 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.261 12.690 9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.711 11.160 9.166 1.00 0.00 H new ATOM 690 N ASP A 49 6.932 11.967 5.069 1.00 0.00 N ATOM 691 CA ASP A 49 5.655 11.893 4.369 1.00 0.00 C ATOM 692 C ASP A 49 5.424 10.493 3.807 1.00 0.00 C ATOM 693 O ASP A 49 4.317 9.961 3.878 1.00 0.00 O ATOM 694 CB ASP A 49 5.608 12.923 3.239 1.00 0.00 C ATOM 695 CG ASP A 49 5.845 14.336 3.734 1.00 0.00 C ATOM 696 OD1 ASP A 49 4.943 14.892 4.396 1.00 0.00 O ATOM 697 OD2 ASP A 49 6.932 14.887 3.460 1.00 0.00 O ATOM 0 H ASP A 49 7.592 12.637 4.673 1.00 0.00 H new ATOM 0 HA ASP A 49 4.863 12.114 5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.360 12.672 2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.638 12.872 2.745 1.00 0.00 H new ATOM 702 N GLU A 50 6.477 9.904 3.249 1.00 0.00 N ATOM 703 CA GLU A 50 6.388 8.567 2.673 1.00 0.00 C ATOM 704 C GLU A 50 6.576 7.499 3.747 1.00 0.00 C ATOM 705 O GLU A 50 6.883 7.808 4.899 1.00 0.00 O ATOM 706 CB GLU A 50 7.436 8.390 1.573 1.00 0.00 C ATOM 707 CG GLU A 50 7.106 9.137 0.292 1.00 0.00 C ATOM 708 CD GLU A 50 8.253 9.130 -0.700 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.001 8.130 -0.733 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.404 10.123 -1.442 1.00 0.00 O ATOM 0 H GLU A 50 7.401 10.331 3.184 1.00 0.00 H new ATOM 0 HA GLU A 50 5.395 8.451 2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.402 8.732 1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.539 7.328 1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.228 8.687 -0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.846 10.168 0.534 1.00 0.00 H new ATOM 717 N LEU A 51 6.388 6.242 3.361 1.00 0.00 N ATOM 718 CA LEU A 51 6.536 5.126 4.290 1.00 0.00 C ATOM 719 C LEU A 51 7.817 4.348 4.006 1.00 0.00 C ATOM 720 O LEU A 51 8.064 3.931 2.875 1.00 0.00 O ATOM 721 CB LEU A 51 5.327 4.194 4.195 1.00 0.00 C ATOM 722 CG LEU A 51 4.878 3.541 5.503 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.776 2.527 5.242 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.058 2.881 6.202 1.00 0.00 C ATOM 0 H LEU A 51 6.133 5.970 2.412 1.00 0.00 H new ATOM 0 HA LEU A 51 6.595 5.531 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.489 4.760 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.557 3.405 3.479 1.00 0.00 H new ATOM 0 HG LEU A 51 4.482 4.317 6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.469 2.073 6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.922 3.027 4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.146 1.753 4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.720 2.421 7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.484 2.116 5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.816 3.632 6.424 1.00 0.00 H new ATOM 736 N SER A 52 8.627 4.154 5.042 1.00 0.00 N ATOM 737 CA SER A 52 9.883 3.427 4.904 1.00 0.00 C ATOM 738 C SER A 52 9.760 2.016 5.473 1.00 0.00 C ATOM 739 O SER A 52 9.432 1.833 6.645 1.00 0.00 O ATOM 740 CB SER A 52 11.012 4.177 5.613 1.00 0.00 C ATOM 741 OG SER A 52 11.984 3.278 6.117 1.00 0.00 O ATOM 0 H SER A 52 8.436 4.490 5.986 1.00 0.00 H new ATOM 0 HA SER A 52 10.116 3.353 3.842 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.482 4.874 4.919 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.602 4.770 6.431 1.00 0.00 H new ATOM 0 HG SER A 52 12.695 3.782 6.564 1.00 0.00 H new ATOM 747 N PHE A 53 10.025 1.021 4.632 1.00 0.00 N ATOM 748 CA PHE A 53 9.943 -0.374 5.049 1.00 0.00 C ATOM 749 C PHE A 53 11.018 -1.211 4.363 1.00 0.00 C ATOM 750 O PHE A 53 11.729 -0.727 3.482 1.00 0.00 O ATOM 751 CB PHE A 53 8.558 -0.942 4.732 1.00 0.00 C ATOM 752 CG PHE A 53 8.087 -0.631 3.340 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.397 -1.475 2.285 1.00 0.00 C ATOM 754 CD2 PHE A 53 7.334 0.504 3.086 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.966 -1.191 1.003 1.00 0.00 C ATOM 756 CE2 PHE A 53 6.900 0.793 1.806 1.00 0.00 C ATOM 757 CZ PHE A 53 7.215 -0.056 0.764 1.00 0.00 C ATOM 0 H PHE A 53 10.298 1.155 3.658 1.00 0.00 H new ATOM 0 HA PHE A 53 10.108 -0.416 6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.578 -2.023 4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.838 -0.544 5.448 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.982 -2.364 2.467 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.083 1.171 3.898 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.216 -1.855 0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.315 1.682 1.621 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.875 0.167 -0.237 1.00 0.00 H new ATOM 767 N SER A 54 11.132 -2.470 4.774 1.00 0.00 N ATOM 768 CA SER A 54 12.123 -3.374 4.203 1.00 0.00 C ATOM 769 C SER A 54 11.449 -4.573 3.544 1.00 0.00 C ATOM 770 O SER A 54 10.459 -5.101 4.052 1.00 0.00 O ATOM 771 CB SER A 54 13.094 -3.850 5.285 1.00 0.00 C ATOM 772 OG SER A 54 13.598 -2.758 6.035 1.00 0.00 O ATOM 0 H SER A 54 10.550 -2.887 5.501 1.00 0.00 H new ATOM 0 HA SER A 54 12.680 -2.829 3.441 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.587 -4.549 5.950 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.920 -4.391 4.824 1.00 0.00 H new ATOM 0 HG SER A 54 14.215 -3.089 6.721 1.00 0.00 H new ATOM 778 N LYS A 55 11.992 -5.000 2.409 1.00 0.00 N ATOM 779 CA LYS A 55 11.446 -6.138 1.680 1.00 0.00 C ATOM 780 C LYS A 55 10.871 -7.175 2.639 1.00 0.00 C ATOM 781 O LYS A 55 11.577 -7.697 3.501 1.00 0.00 O ATOM 782 CB LYS A 55 12.529 -6.779 0.809 1.00 0.00 C ATOM 783 CG LYS A 55 12.108 -8.101 0.189 1.00 0.00 C ATOM 784 CD LYS A 55 13.216 -8.693 -0.666 1.00 0.00 C ATOM 785 CE LYS A 55 12.963 -10.163 -0.965 1.00 0.00 C ATOM 786 NZ LYS A 55 11.835 -10.349 -1.920 1.00 0.00 N ATOM 0 H LYS A 55 12.811 -4.574 1.974 1.00 0.00 H new ATOM 0 HA LYS A 55 10.641 -5.775 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.802 -6.085 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.422 -6.939 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.840 -8.805 0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.217 -7.951 -0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.292 -8.138 -1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.171 -8.584 -0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.867 -10.610 -1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.743 -10.690 -0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.694 -11.364 -2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.967 -9.945 -1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.055 -9.868 -2.815 1.00 0.00 H new ATOM 800 N GLY A 56 9.584 -7.469 2.483 1.00 0.00 N ATOM 801 CA GLY A 56 8.936 -8.443 3.342 1.00 0.00 C ATOM 802 C GLY A 56 8.382 -7.822 4.609 1.00 0.00 C ATOM 803 O GLY A 56 8.331 -8.470 5.654 1.00 0.00 O ATOM 0 H GLY A 56 8.978 -7.050 1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.127 -8.925 2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.651 -9.223 3.606 1.00 0.00 H new ATOM 807 N GLN A 57 7.969 -6.562 4.517 1.00 0.00 N ATOM 808 CA GLN A 57 7.419 -5.853 5.666 1.00 0.00 C ATOM 809 C GLN A 57 5.905 -6.021 5.736 1.00 0.00 C ATOM 810 O GLN A 57 5.255 -6.309 4.730 1.00 0.00 O ATOM 811 CB GLN A 57 7.776 -4.367 5.593 1.00 0.00 C ATOM 812 CG GLN A 57 7.756 -3.670 6.944 1.00 0.00 C ATOM 813 CD GLN A 57 8.963 -4.012 7.795 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.775 -4.863 7.429 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.089 -3.349 8.939 1.00 0.00 N ATOM 0 H GLN A 57 8.005 -6.012 3.659 1.00 0.00 H new ATOM 0 HA GLN A 57 7.856 -6.281 6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.768 -4.261 5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.076 -3.866 4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.718 -2.591 6.792 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.848 -3.949 7.479 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.393 -2.652 9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.882 -3.537 9.553 1.00 0.00 H new ATOM 824 N LEU A 58 5.349 -5.840 6.928 1.00 0.00 N ATOM 825 CA LEU A 58 3.910 -5.972 7.130 1.00 0.00 C ATOM 826 C LEU A 58 3.177 -4.719 6.663 1.00 0.00 C ATOM 827 O LEU A 58 3.199 -3.688 7.336 1.00 0.00 O ATOM 828 CB LEU A 58 3.604 -6.236 8.605 1.00 0.00 C ATOM 829 CG LEU A 58 2.255 -5.725 9.112 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.125 -6.245 8.237 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.040 -6.135 10.562 1.00 0.00 C ATOM 0 H LEU A 58 5.873 -5.601 7.770 1.00 0.00 H new ATOM 0 HA LEU A 58 3.561 -6.817 6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.651 -7.311 8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.391 -5.781 9.206 1.00 0.00 H new ATOM 0 HG LEU A 58 2.257 -4.636 9.059 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.172 -5.871 8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.271 -5.902 7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.121 -7.335 8.258 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.075 -5.763 10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.058 -7.222 10.639 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.833 -5.714 11.180 1.00 0.00 H new ATOM 843 N ILE A 59 2.529 -4.815 5.507 1.00 0.00 N ATOM 844 CA ILE A 59 1.787 -3.690 4.952 1.00 0.00 C ATOM 845 C ILE A 59 0.363 -4.096 4.586 1.00 0.00 C ATOM 846 O ILE A 59 0.153 -5.037 3.822 1.00 0.00 O ATOM 847 CB ILE A 59 2.482 -3.118 3.703 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.807 -2.456 4.087 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.572 -2.123 2.999 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.757 -2.284 2.923 1.00 0.00 C ATOM 0 H ILE A 59 2.503 -5.660 4.937 1.00 0.00 H new ATOM 0 HA ILE A 59 1.756 -2.922 5.725 1.00 0.00 H new ATOM 0 HB ILE A 59 2.693 -3.938 3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.602 -1.479 4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.293 -3.055 4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.078 -1.728 2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.652 -2.623 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.333 -1.305 3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.675 -1.809 3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.992 -3.260 2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.290 -1.659 2.161 1.00 0.00 H new ATOM 862 N ASN A 60 -0.611 -3.380 5.137 1.00 0.00 N ATOM 863 CA ASN A 60 -2.016 -3.666 4.868 1.00 0.00 C ATOM 864 C ASN A 60 -2.674 -2.507 4.125 1.00 0.00 C ATOM 865 O ASN A 60 -2.957 -1.461 4.710 1.00 0.00 O ATOM 866 CB ASN A 60 -2.762 -3.938 6.176 1.00 0.00 C ATOM 867 CG ASN A 60 -3.921 -4.899 5.991 1.00 0.00 C ATOM 868 OD1 ASN A 60 -5.071 -4.563 6.273 1.00 0.00 O ATOM 869 ND2 ASN A 60 -3.621 -6.102 5.515 1.00 0.00 N ATOM 0 H ASN A 60 -0.454 -2.598 5.772 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.067 -4.554 4.238 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.067 -4.348 6.909 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.135 -2.997 6.581 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.359 -6.791 5.369 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.653 -6.337 5.295 1.00 0.00 H new ATOM 876 N VAL A 61 -2.915 -2.700 2.832 1.00 0.00 N ATOM 877 CA VAL A 61 -3.541 -1.672 2.010 1.00 0.00 C ATOM 878 C VAL A 61 -4.948 -1.354 2.504 1.00 0.00 C ATOM 879 O VAL A 61 -5.763 -2.254 2.709 1.00 0.00 O ATOM 880 CB VAL A 61 -3.613 -2.103 0.532 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.197 -0.987 -0.321 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.236 -2.506 0.028 1.00 0.00 C ATOM 0 H VAL A 61 -2.686 -3.559 2.332 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.920 -0.780 2.092 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.271 -2.969 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.240 -1.309 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.202 -0.750 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.567 -0.101 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.305 -2.808 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.554 -1.660 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.861 -3.339 0.622 1.00 0.00 H new ATOM 892 N MET A 62 -5.227 -0.069 2.692 1.00 0.00 N ATOM 893 CA MET A 62 -6.537 0.369 3.161 1.00 0.00 C ATOM 894 C MET A 62 -7.181 1.323 2.161 1.00 0.00 C ATOM 895 O MET A 62 -8.398 1.322 1.983 1.00 0.00 O ATOM 896 CB MET A 62 -6.413 1.048 4.526 1.00 0.00 C ATOM 897 CG MET A 62 -5.403 0.383 5.446 1.00 0.00 C ATOM 898 SD MET A 62 -5.836 0.550 7.189 1.00 0.00 S ATOM 899 CE MET A 62 -6.365 2.260 7.244 1.00 0.00 C ATOM 0 H MET A 62 -4.564 0.688 2.527 1.00 0.00 H new ATOM 0 HA MET A 62 -7.173 -0.511 3.258 1.00 0.00 H new ATOM 0 HB2 MET A 62 -6.128 2.090 4.380 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.389 1.050 5.012 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.329 -0.675 5.194 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.419 0.821 5.276 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.257 2.642 8.259 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.751 2.853 6.566 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.410 2.328 6.940 1.00 0.00 H new ATOM 909 N ASN A 63 -6.356 2.138 1.511 1.00 0.00 N ATOM 910 CA ASN A 63 -6.846 3.099 0.529 1.00 0.00 C ATOM 911 C ASN A 63 -6.054 3.001 -0.771 1.00 0.00 C ATOM 912 O ASN A 63 -5.016 3.643 -0.928 1.00 0.00 O ATOM 913 CB ASN A 63 -6.757 4.521 1.088 1.00 0.00 C ATOM 914 CG ASN A 63 -7.790 5.447 0.478 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.492 6.208 -0.444 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.014 5.388 0.991 1.00 0.00 N ATOM 0 H ASN A 63 -5.345 2.152 1.647 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.889 2.864 0.316 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.892 4.493 2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.760 4.920 0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.751 5.988 0.621 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.216 4.743 1.754 1.00 0.00 H new ATOM 923 N LYS A 64 -6.552 2.192 -1.701 1.00 0.00 N ATOM 924 CA LYS A 64 -5.893 2.010 -2.989 1.00 0.00 C ATOM 925 C LYS A 64 -6.726 2.612 -4.116 1.00 0.00 C ATOM 926 O LYS A 64 -6.805 2.052 -5.209 1.00 0.00 O ATOM 927 CB LYS A 64 -5.653 0.523 -3.256 1.00 0.00 C ATOM 928 CG LYS A 64 -6.928 -0.302 -3.292 1.00 0.00 C ATOM 929 CD LYS A 64 -6.645 -1.752 -3.647 1.00 0.00 C ATOM 930 CE LYS A 64 -6.210 -1.896 -5.098 1.00 0.00 C ATOM 931 NZ LYS A 64 -5.938 -3.315 -5.458 1.00 0.00 N ATOM 0 H LYS A 64 -7.410 1.652 -1.586 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.934 2.526 -2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.132 0.413 -4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.995 0.125 -2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.421 -0.254 -2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.617 0.124 -4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.866 -2.143 -2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.539 -2.351 -3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.987 -1.498 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.314 -1.300 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.940 -3.418 -5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.137 -3.925 -4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.546 -3.594 -6.254 1.00 0.00 H new ATOM 945 N ASP A 65 -7.345 3.756 -3.842 1.00 0.00 N ATOM 946 CA ASP A 65 -8.170 4.435 -4.834 1.00 0.00 C ATOM 947 C ASP A 65 -7.423 4.578 -6.157 1.00 0.00 C ATOM 948 O ASP A 65 -8.035 4.651 -7.222 1.00 0.00 O ATOM 949 CB ASP A 65 -8.592 5.813 -4.321 1.00 0.00 C ATOM 950 CG ASP A 65 -9.927 6.257 -4.885 1.00 0.00 C ATOM 951 OD1 ASP A 65 -10.097 6.200 -6.121 1.00 0.00 O ATOM 952 OD2 ASP A 65 -10.801 6.661 -4.091 1.00 0.00 O ATOM 0 H ASP A 65 -7.291 4.232 -2.941 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.061 3.831 -5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.650 5.790 -3.233 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.828 6.545 -4.584 1.00 0.00 H new ATOM 957 N ASP A 66 -6.097 4.618 -6.080 1.00 0.00 N ATOM 958 CA ASP A 66 -5.266 4.753 -7.270 1.00 0.00 C ATOM 959 C ASP A 66 -4.405 3.510 -7.475 1.00 0.00 C ATOM 960 O ASP A 66 -3.678 3.074 -6.582 1.00 0.00 O ATOM 961 CB ASP A 66 -4.376 5.992 -7.160 1.00 0.00 C ATOM 962 CG ASP A 66 -5.176 7.261 -6.936 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.266 7.176 -6.334 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.711 8.338 -7.364 1.00 0.00 O ATOM 0 H ASP A 66 -5.575 4.559 -5.206 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.924 4.864 -8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.673 5.859 -6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.786 6.094 -8.071 1.00 0.00 H new ATOM 969 N PRO A 67 -4.488 2.924 -8.679 1.00 0.00 N ATOM 970 CA PRO A 67 -3.724 1.723 -9.029 1.00 0.00 C ATOM 971 C PRO A 67 -2.231 2.004 -9.160 1.00 0.00 C ATOM 972 O PRO A 67 -1.450 1.113 -9.496 1.00 0.00 O ATOM 973 CB PRO A 67 -4.311 1.311 -10.381 1.00 0.00 C ATOM 974 CG PRO A 67 -4.855 2.572 -10.959 1.00 0.00 C ATOM 975 CD PRO A 67 -5.334 3.389 -9.791 1.00 0.00 C ATOM 0 HA PRO A 67 -3.802 0.952 -8.262 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.549 0.876 -11.027 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.093 0.561 -10.261 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.089 3.106 -11.521 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.671 2.364 -11.651 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.211 4.457 -9.970 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.392 3.220 -9.589 1.00 0.00 H new ATOM 983 N ASP A 68 -1.841 3.245 -8.893 1.00 0.00 N ATOM 984 CA ASP A 68 -0.441 3.642 -8.980 1.00 0.00 C ATOM 985 C ASP A 68 0.207 3.656 -7.598 1.00 0.00 C ATOM 986 O ASP A 68 1.328 3.180 -7.424 1.00 0.00 O ATOM 987 CB ASP A 68 -0.319 5.023 -9.627 1.00 0.00 C ATOM 988 CG ASP A 68 -1.385 5.266 -10.677 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.845 4.282 -11.294 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.760 6.440 -10.883 1.00 0.00 O ATOM 0 H ASP A 68 -2.475 3.994 -8.614 1.00 0.00 H new ATOM 0 HA ASP A 68 0.080 2.912 -9.599 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.391 5.790 -8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.666 5.122 -10.084 1.00 0.00 H new ATOM 995 N TRP A 69 -0.507 4.205 -6.622 1.00 0.00 N ATOM 996 CA TRP A 69 -0.001 4.281 -5.256 1.00 0.00 C ATOM 997 C TRP A 69 -1.043 3.782 -4.261 1.00 0.00 C ATOM 998 O TRP A 69 -2.230 4.080 -4.390 1.00 0.00 O ATOM 999 CB TRP A 69 0.398 5.718 -4.918 1.00 0.00 C ATOM 1000 CG TRP A 69 1.784 6.072 -5.368 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.209 6.242 -6.654 1.00 0.00 C ATOM 1002 CD2 TRP A 69 2.925 6.296 -4.532 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.546 6.559 -6.669 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.008 6.598 -5.380 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.136 6.272 -3.151 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.282 6.873 -4.890 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.401 6.545 -2.666 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.461 6.843 -3.534 1.00 0.00 C ATOM 0 H TRP A 69 -1.437 4.604 -6.751 1.00 0.00 H new ATOM 0 HA TRP A 69 0.878 3.641 -5.184 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.312 6.403 -5.381 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.325 5.864 -3.840 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.586 6.142 -7.531 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.104 6.736 -7.504 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.325 6.044 -2.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.100 7.102 -5.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.576 6.529 -1.600 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.438 7.053 -3.124 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.591 3.022 -3.270 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.486 2.482 -2.252 1.00 0.00 C ATOM 1021 C TRP A 70 -1.076 2.953 -0.862 1.00 0.00 C ATOM 1022 O TRP A 70 0.045 3.420 -0.661 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.489 0.954 -2.306 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.111 0.405 -3.555 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.912 1.076 -4.435 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.985 -0.929 -4.060 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.291 0.239 -5.457 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.735 -0.996 -5.251 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.310 -2.072 -3.624 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.827 -2.161 -6.007 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.403 -3.228 -4.376 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.157 -3.265 -5.557 1.00 0.00 C ATOM 0 H TRP A 70 0.389 2.766 -3.149 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.492 2.848 -2.457 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.463 0.593 -2.230 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.027 0.568 -1.440 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.204 2.111 -4.341 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.890 0.496 -6.242 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.726 -2.053 -2.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.407 -2.192 -6.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.886 -4.118 -4.048 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.210 -4.183 -6.123 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.990 2.827 0.095 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.722 3.241 1.467 1.00 0.00 C ATOM 1045 C GLN A 71 -1.859 2.064 2.427 1.00 0.00 C ATOM 1046 O GLN A 71 -2.887 1.388 2.454 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.674 4.364 1.879 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.478 4.835 3.311 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.272 6.086 3.629 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -4.207 6.441 2.911 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.902 6.764 4.709 1.00 0.00 N ATOM 0 H GLN A 71 -2.922 2.442 -0.055 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.697 3.608 1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.537 5.210 1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.701 4.021 1.756 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.773 4.039 3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.419 5.028 3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.121 6.434 5.276 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.399 7.615 4.972 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.815 1.824 3.215 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.840 0.728 4.166 1.00 0.00 C ATOM 1062 C GLY A 72 -0.281 1.122 5.519 1.00 0.00 C ATOM 1063 O GLY A 72 0.195 2.242 5.699 1.00 0.00 O ATOM 0 H GLY A 72 0.047 2.369 3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.866 0.380 4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.265 -0.108 3.768 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.340 0.198 6.473 1.00 0.00 N ATOM 1068 CA GLU A 73 0.163 0.456 7.818 1.00 0.00 C ATOM 1069 C GLU A 73 1.247 -0.548 8.195 1.00 0.00 C ATOM 1070 O GLU A 73 1.172 -1.724 7.836 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.980 0.396 8.834 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.680 -0.952 8.883 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.920 -0.933 9.756 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -3.734 0.002 9.611 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -3.075 -1.856 10.584 1.00 0.00 O ATOM 0 H GLU A 73 -0.731 -0.735 6.340 1.00 0.00 H new ATOM 0 HA GLU A 73 0.598 1.455 7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.588 0.628 9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.711 1.167 8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.956 -1.251 7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.987 -1.704 9.259 1.00 0.00 H new ATOM 1082 N ILE A 74 2.255 -0.077 8.922 1.00 0.00 N ATOM 1083 CA ILE A 74 3.355 -0.933 9.349 1.00 0.00 C ATOM 1084 C ILE A 74 3.696 -0.699 10.816 1.00 0.00 C ATOM 1085 O ILE A 74 4.388 0.260 11.157 1.00 0.00 O ATOM 1086 CB ILE A 74 4.615 -0.698 8.496 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.263 -0.725 7.007 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.673 -1.744 8.814 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.407 -0.312 6.108 1.00 0.00 C ATOM 0 H ILE A 74 2.332 0.893 9.228 1.00 0.00 H new ATOM 0 HA ILE A 74 3.024 -1.963 9.216 1.00 0.00 H new ATOM 0 HB ILE A 74 5.020 0.285 8.737 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.943 -1.731 6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.415 -0.063 6.830 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.558 -1.564 8.203 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.942 -1.681 9.869 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.279 -2.737 8.599 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.086 -0.355 5.067 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.712 0.705 6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.249 -0.989 6.256 1.00 0.00 H new ATOM 1101 N ASN A 75 3.208 -1.582 11.680 1.00 0.00 N ATOM 1102 CA ASN A 75 3.463 -1.472 13.112 1.00 0.00 C ATOM 1103 C ASN A 75 2.830 -0.206 13.682 1.00 0.00 C ATOM 1104 O ASN A 75 3.480 0.560 14.392 1.00 0.00 O ATOM 1105 CB ASN A 75 4.969 -1.471 13.385 1.00 0.00 C ATOM 1106 CG ASN A 75 5.516 -2.866 13.614 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.994 -3.187 14.702 1.00 0.00 O ATOM 1108 ND2 ASN A 75 5.449 -3.704 12.585 1.00 0.00 N ATOM 0 H ASN A 75 2.634 -2.382 11.414 1.00 0.00 H new ATOM 0 HA ASN A 75 3.012 -2.335 13.603 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.488 -1.014 12.542 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.177 -0.854 14.259 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.802 -4.656 12.679 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.044 -3.395 11.701 1.00 0.00 H new ATOM 1115 N GLY A 76 1.557 0.006 13.365 1.00 0.00 N ATOM 1116 CA GLY A 76 0.857 1.180 13.853 1.00 0.00 C ATOM 1117 C GLY A 76 1.269 2.445 13.126 1.00 0.00 C ATOM 1118 O GLY A 76 0.808 3.538 13.457 1.00 0.00 O ATOM 0 H GLY A 76 0.998 -0.614 12.779 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.217 1.032 13.739 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.051 1.298 14.919 1.00 0.00 H new ATOM 1122 N VAL A 77 2.140 2.298 12.134 1.00 0.00 N ATOM 1123 CA VAL A 77 2.615 3.438 11.358 1.00 0.00 C ATOM 1124 C VAL A 77 1.921 3.509 10.003 1.00 0.00 C ATOM 1125 O VAL A 77 1.550 2.484 9.428 1.00 0.00 O ATOM 1126 CB VAL A 77 4.138 3.373 11.140 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.461 2.649 9.841 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.737 4.771 11.143 1.00 0.00 C ATOM 0 H VAL A 77 2.532 1.401 11.848 1.00 0.00 H new ATOM 0 HA VAL A 77 2.375 4.333 11.932 1.00 0.00 H new ATOM 0 HB VAL A 77 4.581 2.811 11.962 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.542 2.613 9.704 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.066 1.634 9.882 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.007 3.181 9.005 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.814 4.706 10.988 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.290 5.360 10.342 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.537 5.250 12.101 1.00 0.00 H new ATOM 1138 N THR A 78 1.747 4.725 9.495 1.00 0.00 N ATOM 1139 CA THR A 78 1.096 4.930 8.208 1.00 0.00 C ATOM 1140 C THR A 78 1.942 5.815 7.299 1.00 0.00 C ATOM 1141 O THR A 78 2.673 6.685 7.769 1.00 0.00 O ATOM 1142 CB THR A 78 -0.295 5.569 8.376 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.198 6.748 9.184 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.267 4.589 9.016 1.00 0.00 C ATOM 0 H THR A 78 2.048 5.583 9.956 1.00 0.00 H new ATOM 0 HA THR A 78 0.983 3.947 7.752 1.00 0.00 H new ATOM 0 HB THR A 78 -0.670 5.835 7.388 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.086 7.150 9.285 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.243 5.063 9.125 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.361 3.705 8.385 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.895 4.296 9.998 1.00 0.00 H new ATOM 1152 N GLY A 79 1.837 5.586 5.993 1.00 0.00 N ATOM 1153 CA GLY A 79 2.598 6.371 5.039 1.00 0.00 C ATOM 1154 C GLY A 79 2.077 6.228 3.623 1.00 0.00 C ATOM 1155 O GLY A 79 0.909 5.896 3.414 1.00 0.00 O ATOM 0 H GLY A 79 1.239 4.871 5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.566 7.421 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.643 6.063 5.071 1.00 0.00 H new ATOM 1159 N LEU A 80 2.942 6.481 2.647 1.00 0.00 N ATOM 1160 CA LEU A 80 2.561 6.380 1.243 1.00 0.00 C ATOM 1161 C LEU A 80 3.604 5.597 0.451 1.00 0.00 C ATOM 1162 O LEU A 80 4.807 5.767 0.651 1.00 0.00 O ATOM 1163 CB LEU A 80 2.388 7.775 0.639 1.00 0.00 C ATOM 1164 CG LEU A 80 1.116 8.524 1.037 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.154 9.953 0.518 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.116 7.798 0.516 1.00 0.00 C ATOM 0 H LEU A 80 3.911 6.757 2.802 1.00 0.00 H new ATOM 0 HA LEU A 80 1.612 5.846 1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.247 8.382 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.408 7.684 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 80 1.061 8.555 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.241 10.471 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.016 10.470 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.233 9.943 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.012 8.345 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.068 7.735 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.151 6.793 0.937 1.00 0.00 H new ATOM 1178 N PHE A 81 3.135 4.741 -0.451 1.00 0.00 N ATOM 1179 CA PHE A 81 4.027 3.933 -1.274 1.00 0.00 C ATOM 1180 C PHE A 81 3.330 3.488 -2.556 1.00 0.00 C ATOM 1181 O PHE A 81 2.104 3.386 -2.623 1.00 0.00 O ATOM 1182 CB PHE A 81 4.510 2.710 -0.491 1.00 0.00 C ATOM 1183 CG PHE A 81 3.396 1.923 0.137 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.463 1.268 -0.650 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.282 1.838 1.516 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.437 0.542 -0.074 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.259 1.114 2.097 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.335 0.466 1.301 1.00 0.00 C ATOM 0 H PHE A 81 2.142 4.589 -0.630 1.00 0.00 H new ATOM 0 HA PHE A 81 4.887 4.546 -1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.072 2.059 -1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.198 3.036 0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.538 1.325 -1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.001 2.344 2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.716 0.035 -0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.182 1.055 3.173 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.534 -0.099 1.753 1.00 0.00 H new ATOM 1198 N PRO A 82 4.127 3.216 -3.599 1.00 0.00 N ATOM 1199 CA PRO A 82 3.609 2.777 -4.899 1.00 0.00 C ATOM 1200 C PRO A 82 3.033 1.366 -4.846 1.00 0.00 C ATOM 1201 O PRO A 82 3.539 0.505 -4.127 1.00 0.00 O ATOM 1202 CB PRO A 82 4.843 2.818 -5.804 1.00 0.00 C ATOM 1203 CG PRO A 82 5.998 2.651 -4.879 1.00 0.00 C ATOM 1204 CD PRO A 82 5.596 3.316 -3.591 1.00 0.00 C ATOM 0 HA PRO A 82 2.789 3.406 -5.245 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.814 2.023 -6.549 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.904 3.761 -6.347 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.222 1.596 -4.720 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.897 3.109 -5.291 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.028 2.812 -2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.928 4.354 -3.554 1.00 0.00 H new ATOM 1212 N SER A 83 1.972 1.136 -5.614 1.00 0.00 N ATOM 1213 CA SER A 83 1.325 -0.170 -5.652 1.00 0.00 C ATOM 1214 C SER A 83 2.132 -1.151 -6.496 1.00 0.00 C ATOM 1215 O SER A 83 1.684 -2.263 -6.774 1.00 0.00 O ATOM 1216 CB SER A 83 -0.093 -0.044 -6.212 1.00 0.00 C ATOM 1217 OG SER A 83 -0.084 0.574 -7.487 1.00 0.00 O ATOM 0 H SER A 83 1.543 1.837 -6.218 1.00 0.00 H new ATOM 0 HA SER A 83 1.273 -0.552 -4.633 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.547 -1.032 -6.286 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.708 0.539 -5.526 1.00 0.00 H new ATOM 0 HG SER A 83 -0.839 0.243 -8.016 1.00 0.00 H new ATOM 1223 N ASN A 84 3.326 -0.731 -6.902 1.00 0.00 N ATOM 1224 CA ASN A 84 4.197 -1.572 -7.715 1.00 0.00 C ATOM 1225 C ASN A 84 5.328 -2.157 -6.875 1.00 0.00 C ATOM 1226 O ASN A 84 6.060 -3.037 -7.328 1.00 0.00 O ATOM 1227 CB ASN A 84 4.776 -0.766 -8.880 1.00 0.00 C ATOM 1228 CG ASN A 84 4.972 0.696 -8.530 1.00 0.00 C ATOM 1229 OD1 ASN A 84 4.023 1.481 -8.540 1.00 0.00 O ATOM 1230 ND2 ASN A 84 6.208 1.070 -8.219 1.00 0.00 N ATOM 0 H ASN A 84 3.712 0.187 -6.681 1.00 0.00 H new ATOM 0 HA ASN A 84 3.600 -2.394 -8.111 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.732 -1.197 -9.177 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.110 -0.845 -9.739 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.401 2.042 -7.976 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.964 0.386 -8.224 1.00 0.00 H new ATOM 1237 N TYR A 85 5.465 -1.662 -5.650 1.00 0.00 N ATOM 1238 CA TYR A 85 6.507 -2.133 -4.747 1.00 0.00 C ATOM 1239 C TYR A 85 5.953 -3.160 -3.764 1.00 0.00 C ATOM 1240 O TYR A 85 6.650 -3.602 -2.851 1.00 0.00 O ATOM 1241 CB TYR A 85 7.120 -0.958 -3.983 1.00 0.00 C ATOM 1242 CG TYR A 85 8.310 -0.338 -4.679 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.150 0.413 -5.836 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.596 -0.503 -4.178 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.235 0.981 -6.476 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.687 0.062 -4.810 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.501 0.803 -5.958 1.00 0.00 C ATOM 1248 OH TYR A 85 11.584 1.367 -6.592 1.00 0.00 O ATOM 0 H TYR A 85 4.867 -0.934 -5.260 1.00 0.00 H new ATOM 0 HA TYR A 85 7.282 -2.611 -5.346 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.357 -0.194 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.425 -1.298 -2.994 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.160 0.556 -6.243 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.745 -1.083 -3.279 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.093 1.561 -7.376 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.680 -0.076 -4.407 1.00 0.00 H new ATOM 0 HH TYR A 85 12.402 1.148 -6.099 1.00 0.00 H new ATOM 1258 N VAL A 86 4.693 -3.536 -3.958 1.00 0.00 N ATOM 1259 CA VAL A 86 4.043 -4.511 -3.091 1.00 0.00 C ATOM 1260 C VAL A 86 3.392 -5.623 -3.906 1.00 0.00 C ATOM 1261 O VAL A 86 2.795 -5.372 -4.953 1.00 0.00 O ATOM 1262 CB VAL A 86 2.975 -3.848 -2.201 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.590 -2.732 -1.370 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.827 -3.322 -3.049 1.00 0.00 C ATOM 0 H VAL A 86 4.102 -3.180 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 86 4.820 -4.937 -2.456 1.00 0.00 H new ATOM 0 HB VAL A 86 2.578 -4.600 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.820 -2.275 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.375 -3.142 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.016 -1.978 -2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.082 -2.857 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.206 -2.584 -3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.370 -4.147 -3.595 1.00 0.00 H new ATOM 1274 N LYS A 87 3.509 -6.853 -3.418 1.00 0.00 N ATOM 1275 CA LYS A 87 2.930 -8.005 -4.099 1.00 0.00 C ATOM 1276 C LYS A 87 1.916 -8.712 -3.206 1.00 0.00 C ATOM 1277 O LYS A 87 2.224 -9.080 -2.072 1.00 0.00 O ATOM 1278 CB LYS A 87 4.031 -8.985 -4.514 1.00 0.00 C ATOM 1279 CG LYS A 87 3.502 -10.265 -5.137 1.00 0.00 C ATOM 1280 CD LYS A 87 4.566 -10.959 -5.972 1.00 0.00 C ATOM 1281 CE LYS A 87 5.394 -11.919 -5.132 1.00 0.00 C ATOM 1282 NZ LYS A 87 6.485 -12.550 -5.925 1.00 0.00 N ATOM 0 H LYS A 87 4.000 -7.078 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 87 2.415 -7.647 -4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.695 -8.493 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.630 -9.237 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.158 -10.938 -4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.639 -10.037 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.092 -11.504 -6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.219 -10.213 -6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.823 -11.383 -4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.747 -12.695 -4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.026 -13.197 -5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.074 -13.082 -6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.117 -11.812 -6.294 1.00 0.00 H new ATOM 1296 N MET A 88 0.707 -8.900 -3.724 1.00 0.00 N ATOM 1297 CA MET A 88 -0.351 -9.566 -2.974 1.00 0.00 C ATOM 1298 C MET A 88 0.188 -10.794 -2.246 1.00 0.00 C ATOM 1299 O MET A 88 0.615 -11.763 -2.874 1.00 0.00 O ATOM 1300 CB MET A 88 -1.491 -9.973 -3.909 1.00 0.00 C ATOM 1301 CG MET A 88 -2.359 -8.807 -4.353 1.00 0.00 C ATOM 1302 SD MET A 88 -3.752 -8.518 -3.246 1.00 0.00 S ATOM 1303 CE MET A 88 -4.674 -7.294 -4.174 1.00 0.00 C ATOM 0 H MET A 88 0.436 -8.600 -4.660 1.00 0.00 H new ATOM 0 HA MET A 88 -0.732 -8.864 -2.232 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.071 -10.459 -4.790 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.117 -10.710 -3.406 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.749 -7.905 -4.407 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.733 -9.000 -5.359 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.568 -7.013 -3.617 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.052 -6.413 -4.331 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.963 -7.711 -5.139 1.00 0.00 H new ATOM 1313 N THR A 89 0.167 -10.746 -0.918 1.00 0.00 N ATOM 1314 CA THR A 89 0.655 -11.853 -0.105 1.00 0.00 C ATOM 1315 C THR A 89 0.042 -13.175 -0.552 1.00 0.00 C ATOM 1316 O THR A 89 0.727 -14.195 -0.627 1.00 0.00 O ATOM 1317 CB THR A 89 0.343 -11.634 1.388 1.00 0.00 C ATOM 1318 OG1 THR A 89 -1.073 -11.543 1.584 1.00 0.00 O ATOM 1319 CG2 THR A 89 1.014 -10.369 1.901 1.00 0.00 C ATOM 0 H THR A 89 -0.183 -9.952 -0.382 1.00 0.00 H new ATOM 0 HA THR A 89 1.736 -11.892 -0.241 1.00 0.00 H new ATOM 0 HB THR A 89 0.733 -12.485 1.947 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.354 -10.607 1.509 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.779 -10.235 2.957 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.094 -10.454 1.777 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.650 -9.510 1.337 1.00 0.00 H new ATOM 1327 N THR A 90 -1.254 -13.151 -0.849 1.00 0.00 N ATOM 1328 CA THR A 90 -1.959 -14.348 -1.289 1.00 0.00 C ATOM 1329 C THR A 90 -1.858 -15.459 -0.249 1.00 0.00 C ATOM 1330 O THR A 90 -1.695 -16.630 -0.592 1.00 0.00 O ATOM 1331 CB THR A 90 -1.406 -14.865 -2.630 1.00 0.00 C ATOM 1332 OG1 THR A 90 -1.261 -13.779 -3.552 1.00 0.00 O ATOM 1333 CG2 THR A 90 -2.327 -15.921 -3.224 1.00 0.00 C ATOM 0 H THR A 90 -1.836 -12.315 -0.793 1.00 0.00 H new ATOM 0 HA THR A 90 -3.005 -14.069 -1.419 1.00 0.00 H new ATOM 0 HB THR A 90 -0.431 -15.317 -2.446 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.536 -13.191 -3.253 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.916 -16.271 -4.171 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.412 -16.760 -2.533 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.313 -15.489 -3.394 1.00 0.00 H new ATOM 1341 N ASP A 91 -1.958 -15.084 1.021 1.00 0.00 N ATOM 1342 CA ASP A 91 -1.880 -16.049 2.112 1.00 0.00 C ATOM 1343 C ASP A 91 -3.273 -16.433 2.599 1.00 0.00 C ATOM 1344 O ASP A 91 -4.237 -15.693 2.399 1.00 0.00 O ATOM 1345 CB ASP A 91 -1.061 -15.477 3.270 1.00 0.00 C ATOM 1346 CG ASP A 91 -1.325 -16.198 4.577 1.00 0.00 C ATOM 1347 OD1 ASP A 91 -2.360 -15.913 5.213 1.00 0.00 O ATOM 1348 OD2 ASP A 91 -0.495 -17.048 4.964 1.00 0.00 O ATOM 0 H ASP A 91 -2.093 -14.119 1.321 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.387 -16.945 1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.000 -15.544 3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.294 -14.419 3.388 1.00 0.00 H new ATOM 1353 N SER A 92 -3.373 -17.594 3.237 1.00 0.00 N ATOM 1354 CA SER A 92 -4.650 -18.079 3.748 1.00 0.00 C ATOM 1355 C SER A 92 -5.018 -17.371 5.049 1.00 0.00 C ATOM 1356 O SER A 92 -4.418 -17.620 6.095 1.00 0.00 O ATOM 1357 CB SER A 92 -4.591 -19.591 3.976 1.00 0.00 C ATOM 1358 OG SER A 92 -5.806 -20.071 4.525 1.00 0.00 O ATOM 0 H SER A 92 -2.585 -18.217 3.413 1.00 0.00 H new ATOM 0 HA SER A 92 -5.418 -17.860 3.006 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.390 -20.097 3.032 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.766 -19.829 4.647 1.00 0.00 H new ATOM 0 HG SER A 92 -5.744 -21.040 4.660 1.00 0.00 H new ATOM 1364 N SER A 93 -6.008 -16.488 4.975 1.00 0.00 N ATOM 1365 CA SER A 93 -6.455 -15.741 6.144 1.00 0.00 C ATOM 1366 C SER A 93 -7.914 -15.318 5.995 1.00 0.00 C ATOM 1367 O SER A 93 -8.424 -15.193 4.882 1.00 0.00 O ATOM 1368 CB SER A 93 -5.574 -14.508 6.355 1.00 0.00 C ATOM 1369 OG SER A 93 -6.151 -13.625 7.302 1.00 0.00 O ATOM 0 H SER A 93 -6.516 -16.272 4.117 1.00 0.00 H new ATOM 0 HA SER A 93 -6.371 -16.392 7.014 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.586 -14.817 6.696 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.436 -13.989 5.406 1.00 0.00 H new ATOM 0 HG SER A 93 -5.568 -12.846 7.420 1.00 0.00 H new ATOM 1375 N GLY A 94 -8.579 -15.100 7.125 1.00 0.00 N ATOM 1376 CA GLY A 94 -9.972 -14.695 7.099 1.00 0.00 C ATOM 1377 C GLY A 94 -10.515 -14.396 8.482 1.00 0.00 C ATOM 1378 O GLY A 94 -11.090 -15.259 9.146 1.00 0.00 O ATOM 0 H GLY A 94 -8.178 -15.197 8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.078 -13.810 6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.568 -15.484 6.641 1.00 0.00 H new ATOM 1382 N PRO A 95 -10.333 -13.148 8.937 1.00 0.00 N ATOM 1383 CA PRO A 95 -10.801 -12.710 10.256 1.00 0.00 C ATOM 1384 C PRO A 95 -12.321 -12.620 10.331 1.00 0.00 C ATOM 1385 O PRO A 95 -12.979 -12.237 9.363 1.00 0.00 O ATOM 1386 CB PRO A 95 -10.175 -11.321 10.411 1.00 0.00 C ATOM 1387 CG PRO A 95 -9.965 -10.843 9.016 1.00 0.00 C ATOM 1388 CD PRO A 95 -9.657 -12.068 8.200 1.00 0.00 C ATOM 0 HA PRO A 95 -10.519 -13.410 11.042 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -10.832 -10.650 10.965 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.234 -11.370 10.959 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.854 -10.336 8.639 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.145 -10.126 8.968 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.036 -11.978 7.182 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.584 -12.242 8.127 1.00 0.00 H new ATOM 1396 N SER A 96 -12.874 -12.975 11.486 1.00 0.00 N ATOM 1397 CA SER A 96 -14.318 -12.938 11.687 1.00 0.00 C ATOM 1398 C SER A 96 -14.679 -12.046 12.871 1.00 0.00 C ATOM 1399 O SER A 96 -15.490 -12.420 13.718 1.00 0.00 O ATOM 1400 CB SER A 96 -14.859 -14.351 11.913 1.00 0.00 C ATOM 1401 OG SER A 96 -14.519 -14.826 13.204 1.00 0.00 O ATOM 0 H SER A 96 -12.344 -13.292 12.298 1.00 0.00 H new ATOM 0 HA SER A 96 -14.775 -12.522 10.789 1.00 0.00 H new ATOM 0 HB2 SER A 96 -15.943 -14.352 11.795 1.00 0.00 H new ATOM 0 HB3 SER A 96 -14.455 -15.024 11.156 1.00 0.00 H new ATOM 0 HG SER A 96 -14.972 -14.282 13.882 1.00 0.00 H new ATOM 1407 N SER A 97 -14.071 -10.866 12.922 1.00 0.00 N ATOM 1408 CA SER A 97 -14.324 -9.922 14.004 1.00 0.00 C ATOM 1409 C SER A 97 -15.041 -8.680 13.484 1.00 0.00 C ATOM 1410 O SER A 97 -14.532 -7.972 12.616 1.00 0.00 O ATOM 1411 CB SER A 97 -13.011 -9.521 14.678 1.00 0.00 C ATOM 1412 OG SER A 97 -12.179 -8.800 13.786 1.00 0.00 O ATOM 0 H SER A 97 -13.399 -10.540 12.227 1.00 0.00 H new ATOM 0 HA SER A 97 -14.965 -10.411 14.737 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.221 -8.912 15.557 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.490 -10.413 15.026 1.00 0.00 H new ATOM 0 HG SER A 97 -12.735 -8.280 13.168 1.00 0.00 H new ATOM 1418 N GLY A 98 -16.230 -8.421 14.022 1.00 0.00 N ATOM 1419 CA GLY A 98 -16.999 -7.265 13.601 1.00 0.00 C ATOM 1420 C GLY A 98 -18.493 -7.510 13.661 1.00 0.00 C ATOM 1421 O GLY A 98 -19.175 -7.015 14.559 1.00 0.00 O ATOM 0 H GLY A 98 -16.674 -8.992 14.742 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.748 -6.415 14.235 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.718 -6.997 12.582 1.00 0.00 H new TER 1425 GLY A 98