USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=29 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 46 ASN : amide:sc= -0.668 K(o=-2.2,f=-6.9!) USER MOD Set 1.2: A 47 ASN : amide:sc= -1.55 K(o=-2.2,f=-6.3!) USER MOD Set 2.1: A 40 MET CE :methyl -126:sc= -2.92 (180deg=-6.65!) USER MOD Set 2.2: A 41 TYR OH : rot 30:sc= -0.304 USER MOD Set 3.1: A 35 CYS SG : rot 41:sc= 0.444 USER MOD Set 3.2: A 64 LYS NZ :NH3+ -155:sc= 0.809 (180deg=0.594) USER MOD Set 3.3: A 88 MET CE :methyl 148:sc= -0.0369 (180deg=-0.00323) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 -2:sc= 0.725! USER MOD Single : A 8 GLN : amide:sc= -0.574 K(o=-0.57,f=-1.8!) USER MOD Single : A 9 LYS NZ :NH3+ 164:sc= -0.0126 (180deg=-0.19) 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) USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= -0.0687 (180deg=-0.494) 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= -1.13 X(o=-1.1,f=-0.9) USER MOD Single : A 36 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.4) USER MOD Single : A 43 TYR OH : rot 165:sc= -0.127 USER MOD Single : A 52 SER OG : rot 37:sc= 0.557 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= -1.2 K(o=-1.2,f=-4.7!) USER MOD Single : A 60 ASN : amide:sc= -2.22 K(o=-2.2,f=-11!) USER MOD Single : A 62 MET CE :methyl -128:sc= -2.51 (180deg=-3.42!) USER MOD Single : A 63 ASN : amide:sc= -0.148 K(o=-0.15,f=-11!) USER MOD Single : A 71 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.1) 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 165:sc= 0.397 USER MOD Single : A 84 ASN : amide:sc= -3.38! C(o=-3.4!,f=-4.2!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -107:sc= -1.14 (180deg=-2.51!) USER MOD Single : A 89 THR OG1 : rot -71:sc= 0.874 USER MOD Single : A 90 THR OG1 : rot 79:sc= 0.169 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc=-0.00274 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.141 24.829 0.952 1.00 0.00 N ATOM 2 CA GLY A 1 -22.043 25.054 -0.478 1.00 0.00 C ATOM 3 C GLY A 1 -21.658 23.800 -1.237 1.00 0.00 C ATOM 4 O GLY A 1 -22.520 23.088 -1.752 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.407 25.716 1.426 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.864 24.106 1.141 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.223 24.504 1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.999 25.422 -0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.305 25.833 -0.670 1.00 0.00 H new ATOM 8 N SER A 2 -20.359 23.528 -1.309 1.00 0.00 N ATOM 9 CA SER A 2 -19.861 22.354 -2.015 1.00 0.00 C ATOM 10 C SER A 2 -20.408 21.073 -1.393 1.00 0.00 C ATOM 11 O SER A 2 -20.902 20.191 -2.095 1.00 0.00 O ATOM 12 CB SER A 2 -18.331 22.331 -1.996 1.00 0.00 C ATOM 13 OG SER A 2 -17.830 21.171 -2.637 1.00 0.00 O ATOM 0 H SER A 2 -19.632 24.105 -0.887 1.00 0.00 H new ATOM 0 HA SER A 2 -20.203 22.410 -3.048 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.945 23.221 -2.493 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.977 22.363 -0.966 1.00 0.00 H new ATOM 0 HG SER A 2 -16.850 21.181 -2.613 1.00 0.00 H new ATOM 19 N SER A 3 -20.315 20.979 -0.071 1.00 0.00 N ATOM 20 CA SER A 3 -20.796 19.804 0.648 1.00 0.00 C ATOM 21 C SER A 3 -19.950 18.579 0.315 1.00 0.00 C ATOM 22 O SER A 3 -20.474 17.484 0.116 1.00 0.00 O ATOM 23 CB SER A 3 -22.262 19.535 0.302 1.00 0.00 C ATOM 24 OG SER A 3 -22.909 18.822 1.342 1.00 0.00 O ATOM 0 H SER A 3 -19.911 21.702 0.525 1.00 0.00 H new ATOM 0 HA SER A 3 -20.712 20.002 1.717 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.777 20.480 0.129 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.321 18.965 -0.625 1.00 0.00 H new ATOM 0 HG SER A 3 -23.845 18.664 1.097 1.00 0.00 H new ATOM 30 N GLY A 4 -18.636 18.774 0.257 1.00 0.00 N ATOM 31 CA GLY A 4 -17.737 17.677 -0.052 1.00 0.00 C ATOM 32 C GLY A 4 -17.405 16.839 1.167 1.00 0.00 C ATOM 33 O GLY A 4 -17.990 17.024 2.234 1.00 0.00 O ATOM 0 H GLY A 4 -18.178 19.671 0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.191 17.042 -0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.816 18.075 -0.477 1.00 0.00 H new ATOM 37 N SER A 5 -16.465 15.913 1.008 1.00 0.00 N ATOM 38 CA SER A 5 -16.060 15.039 2.103 1.00 0.00 C ATOM 39 C SER A 5 -14.748 15.514 2.721 1.00 0.00 C ATOM 40 O SER A 5 -13.671 15.283 2.171 1.00 0.00 O ATOM 41 CB SER A 5 -15.911 13.600 1.607 1.00 0.00 C ATOM 42 OG SER A 5 -15.988 12.679 2.681 1.00 0.00 O ATOM 0 H SER A 5 -15.970 15.749 0.132 1.00 0.00 H new ATOM 0 HA SER A 5 -16.836 15.074 2.868 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.692 13.380 0.879 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.956 13.486 1.094 1.00 0.00 H new ATOM 0 HG SER A 5 -15.892 11.766 2.337 1.00 0.00 H new ATOM 48 N SER A 6 -14.848 16.179 3.867 1.00 0.00 N ATOM 49 CA SER A 6 -13.670 16.690 4.559 1.00 0.00 C ATOM 50 C SER A 6 -13.574 16.114 5.968 1.00 0.00 C ATOM 51 O SER A 6 -14.486 16.272 6.779 1.00 0.00 O ATOM 52 CB SER A 6 -13.714 18.218 4.623 1.00 0.00 C ATOM 53 OG SER A 6 -14.580 18.661 5.654 1.00 0.00 O ATOM 0 H SER A 6 -15.732 16.377 4.336 1.00 0.00 H new ATOM 0 HA SER A 6 -12.788 16.381 3.999 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.710 18.607 4.795 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.050 18.616 3.665 1.00 0.00 H new ATOM 0 HG SER A 6 -14.997 17.887 6.086 1.00 0.00 H new ATOM 59 N GLY A 7 -12.462 15.442 6.252 1.00 0.00 N ATOM 60 CA GLY A 7 -12.267 14.851 7.563 1.00 0.00 C ATOM 61 C GLY A 7 -10.817 14.495 7.828 1.00 0.00 C ATOM 62 O GLY A 7 -10.064 15.301 8.374 1.00 0.00 O ATOM 0 H GLY A 7 -11.693 15.297 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.613 15.547 8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.880 13.954 7.649 1.00 0.00 H new ATOM 66 N GLN A 8 -10.427 13.285 7.442 1.00 0.00 N ATOM 67 CA GLN A 8 -9.058 12.824 7.643 1.00 0.00 C ATOM 68 C GLN A 8 -8.268 12.879 6.340 1.00 0.00 C ATOM 69 O GLN A 8 -8.461 12.052 5.449 1.00 0.00 O ATOM 70 CB GLN A 8 -9.055 11.397 8.196 1.00 0.00 C ATOM 71 CG GLN A 8 -7.749 11.009 8.870 1.00 0.00 C ATOM 72 CD GLN A 8 -7.711 11.397 10.336 1.00 0.00 C ATOM 73 OE1 GLN A 8 -8.748 11.468 10.997 1.00 0.00 O ATOM 74 NE2 GLN A 8 -6.514 11.649 10.851 1.00 0.00 N ATOM 0 H GLN A 8 -11.039 12.606 6.989 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.580 13.487 8.364 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.869 11.292 8.913 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.255 10.700 7.382 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.603 9.933 8.779 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.920 11.488 8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.682 11.578 10.266 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.426 11.914 11.832 1.00 0.00 H new ATOM 83 N LYS A 9 -7.377 13.859 6.236 1.00 0.00 N ATOM 84 CA LYS A 9 -6.555 14.023 5.043 1.00 0.00 C ATOM 85 C LYS A 9 -5.320 13.130 5.106 1.00 0.00 C ATOM 86 O LYS A 9 -4.308 13.495 5.702 1.00 0.00 O ATOM 87 CB LYS A 9 -6.133 15.486 4.887 1.00 0.00 C ATOM 88 CG LYS A 9 -7.302 16.447 4.769 1.00 0.00 C ATOM 89 CD LYS A 9 -6.884 17.875 5.078 1.00 0.00 C ATOM 90 CE LYS A 9 -6.119 18.496 3.919 1.00 0.00 C ATOM 91 NZ LYS A 9 -7.006 18.778 2.757 1.00 0.00 N ATOM 0 H LYS A 9 -7.206 14.552 6.964 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.150 13.729 4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.523 15.773 5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.504 15.582 4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.714 16.398 3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.094 16.143 5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.768 18.475 5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.263 17.888 5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.648 19.422 4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.319 17.824 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.528 19.433 2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.219 17.890 2.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.891 19.208 3.092 1.00 0.00 H new ATOM 105 N GLY A 10 -5.410 11.958 4.484 1.00 0.00 N ATOM 106 CA GLY A 10 -4.293 11.032 4.481 1.00 0.00 C ATOM 107 C GLY A 10 -4.163 10.285 3.168 1.00 0.00 C ATOM 108 O GLY A 10 -3.933 9.076 3.155 1.00 0.00 O ATOM 0 H GLY A 10 -6.237 11.634 3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.371 11.579 4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.417 10.315 5.293 1.00 0.00 H new ATOM 112 N TRP A 11 -4.311 11.006 2.063 1.00 0.00 N ATOM 113 CA TRP A 11 -4.211 10.402 0.739 1.00 0.00 C ATOM 114 C TRP A 11 -3.963 11.465 -0.326 1.00 0.00 C ATOM 115 O TRP A 11 -4.698 12.448 -0.418 1.00 0.00 O ATOM 116 CB TRP A 11 -5.486 9.623 0.413 1.00 0.00 C ATOM 117 CG TRP A 11 -5.453 8.966 -0.934 1.00 0.00 C ATOM 118 CD1 TRP A 11 -5.880 9.500 -2.117 1.00 0.00 C ATOM 119 CD2 TRP A 11 -4.968 7.653 -1.236 1.00 0.00 C ATOM 120 NE1 TRP A 11 -5.690 8.597 -3.135 1.00 0.00 N ATOM 121 CE2 TRP A 11 -5.132 7.457 -2.621 1.00 0.00 C ATOM 122 CE3 TRP A 11 -4.410 6.625 -0.471 1.00 0.00 C ATOM 123 CZ2 TRP A 11 -4.758 6.275 -3.254 1.00 0.00 C ATOM 124 CZ3 TRP A 11 -4.040 5.452 -1.101 1.00 0.00 C ATOM 125 CH2 TRP A 11 -4.214 5.285 -2.481 1.00 0.00 C ATOM 0 H TRP A 11 -4.500 12.008 2.057 1.00 0.00 H new ATOM 0 HA TRP A 11 -3.365 9.714 0.743 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.643 8.862 1.177 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -6.339 10.301 0.458 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.304 10.486 -2.235 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.926 8.751 -4.115 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -4.271 6.745 0.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.892 6.144 -4.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.609 4.650 -0.520 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.913 4.357 -2.944 1.00 0.00 H new ATOM 136 N PHE A 12 -2.924 11.261 -1.130 1.00 0.00 N ATOM 137 CA PHE A 12 -2.580 12.202 -2.188 1.00 0.00 C ATOM 138 C PHE A 12 -2.626 11.525 -3.555 1.00 0.00 C ATOM 139 O PHE A 12 -2.021 10.476 -3.776 1.00 0.00 O ATOM 140 CB PHE A 12 -1.189 12.790 -1.944 1.00 0.00 C ATOM 141 CG PHE A 12 -1.182 13.929 -0.965 1.00 0.00 C ATOM 142 CD1 PHE A 12 -1.510 15.212 -1.373 1.00 0.00 C ATOM 143 CD2 PHE A 12 -0.850 13.717 0.363 1.00 0.00 C ATOM 144 CE1 PHE A 12 -1.504 16.262 -0.474 1.00 0.00 C ATOM 145 CE2 PHE A 12 -0.842 14.763 1.266 1.00 0.00 C ATOM 146 CZ PHE A 12 -1.171 16.037 0.847 1.00 0.00 C ATOM 0 H PHE A 12 -2.306 10.452 -1.068 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.315 13.007 -2.176 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.530 12.003 -1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.778 13.135 -2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.773 15.394 -2.405 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.594 12.722 0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.760 17.258 -0.805 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.579 14.584 2.298 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.168 16.856 1.551 1.00 0.00 H new ATOM 156 N PRO A 13 -3.361 12.138 -4.494 1.00 0.00 N ATOM 157 CA PRO A 13 -3.504 11.613 -5.855 1.00 0.00 C ATOM 158 C PRO A 13 -2.212 11.721 -6.657 1.00 0.00 C ATOM 159 O PRO A 13 -1.228 12.296 -6.192 1.00 0.00 O ATOM 160 CB PRO A 13 -4.589 12.504 -6.467 1.00 0.00 C ATOM 161 CG PRO A 13 -4.512 13.777 -5.697 1.00 0.00 C ATOM 162 CD PRO A 13 -4.109 13.392 -4.300 1.00 0.00 C ATOM 0 HA PRO A 13 -3.752 10.552 -5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.411 12.672 -7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.574 12.046 -6.378 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.784 14.457 -6.140 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.472 14.293 -5.698 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.492 14.160 -3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.977 13.247 -3.657 1.00 0.00 H new ATOM 170 N ALA A 14 -2.221 11.164 -7.864 1.00 0.00 N ATOM 171 CA ALA A 14 -1.050 11.200 -8.731 1.00 0.00 C ATOM 172 C ALA A 14 -0.955 12.531 -9.471 1.00 0.00 C ATOM 173 O ALA A 14 -0.638 12.570 -10.659 1.00 0.00 O ATOM 174 CB ALA A 14 -1.091 10.046 -9.722 1.00 0.00 C ATOM 0 H ALA A 14 -3.027 10.682 -8.263 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.163 11.097 -8.106 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.210 10.085 -10.363 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.103 9.101 -9.179 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.989 10.124 -10.334 1.00 0.00 H new ATOM 180 N SER A 15 -1.234 13.619 -8.760 1.00 0.00 N ATOM 181 CA SER A 15 -1.184 14.951 -9.350 1.00 0.00 C ATOM 182 C SER A 15 -0.045 15.769 -8.749 1.00 0.00 C ATOM 183 O SER A 15 0.100 15.851 -7.529 1.00 0.00 O ATOM 184 CB SER A 15 -2.515 15.676 -9.138 1.00 0.00 C ATOM 185 OG SER A 15 -3.603 14.886 -9.586 1.00 0.00 O ATOM 0 H SER A 15 -1.497 13.604 -7.775 1.00 0.00 H new ATOM 0 HA SER A 15 -1.004 14.841 -10.419 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.642 15.909 -8.081 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.505 16.625 -9.674 1.00 0.00 H new ATOM 0 HG SER A 15 -4.442 15.371 -9.438 1.00 0.00 H new ATOM 191 N HIS A 16 0.761 16.375 -9.616 1.00 0.00 N ATOM 192 CA HIS A 16 1.888 17.188 -9.172 1.00 0.00 C ATOM 193 C HIS A 16 1.402 18.437 -8.442 1.00 0.00 C ATOM 194 O HIS A 16 0.727 19.286 -9.025 1.00 0.00 O ATOM 195 CB HIS A 16 2.758 17.585 -10.364 1.00 0.00 C ATOM 196 CG HIS A 16 3.860 18.536 -10.011 1.00 0.00 C ATOM 197 ND1 HIS A 16 4.822 18.254 -9.063 1.00 0.00 N ATOM 198 CD2 HIS A 16 4.152 19.769 -10.486 1.00 0.00 C ATOM 199 CE1 HIS A 16 5.656 19.274 -8.969 1.00 0.00 C ATOM 200 NE2 HIS A 16 5.272 20.207 -9.822 1.00 0.00 N ATOM 0 H HIS A 16 0.655 16.318 -10.629 1.00 0.00 H new ATOM 0 HA HIS A 16 2.484 16.593 -8.480 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.192 16.686 -10.802 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.127 18.040 -11.128 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.606 20.308 -11.246 1.00 0.00 H new ATOM 0 HE1 HIS A 16 6.507 19.335 -8.307 1.00 0.00 H new ATOM 0 HE2 HIS A 16 5.732 21.106 -9.964 1.00 0.00 H new ATOM 209 N VAL A 17 1.750 18.543 -7.164 1.00 0.00 N ATOM 210 CA VAL A 17 1.350 19.688 -6.355 1.00 0.00 C ATOM 211 C VAL A 17 2.548 20.569 -6.019 1.00 0.00 C ATOM 212 O VAL A 17 3.652 20.075 -5.793 1.00 0.00 O ATOM 213 CB VAL A 17 0.673 19.241 -5.045 1.00 0.00 C ATOM 214 CG1 VAL A 17 -0.311 20.297 -4.566 1.00 0.00 C ATOM 215 CG2 VAL A 17 -0.021 17.900 -5.235 1.00 0.00 C ATOM 0 H VAL A 17 2.308 17.850 -6.666 1.00 0.00 H new ATOM 0 HA VAL A 17 0.636 20.260 -6.948 1.00 0.00 H new ATOM 0 HB VAL A 17 1.441 19.121 -4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.780 19.964 -3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.218 21.234 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.078 20.451 -5.325 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.494 17.599 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.779 17.990 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.713 17.149 -5.529 1.00 0.00 H new ATOM 225 N LYS A 18 2.322 21.878 -5.989 1.00 0.00 N ATOM 226 CA LYS A 18 3.382 22.831 -5.680 1.00 0.00 C ATOM 227 C LYS A 18 3.705 22.820 -4.189 1.00 0.00 C ATOM 228 O LYS A 18 4.843 23.066 -3.788 1.00 0.00 O ATOM 229 CB LYS A 18 2.972 24.240 -6.113 1.00 0.00 C ATOM 230 CG LYS A 18 2.595 24.339 -7.581 1.00 0.00 C ATOM 231 CD LYS A 18 2.090 25.728 -7.935 1.00 0.00 C ATOM 232 CE LYS A 18 3.235 26.720 -8.068 1.00 0.00 C ATOM 233 NZ LYS A 18 4.143 26.372 -9.196 1.00 0.00 N ATOM 0 H LYS A 18 1.414 22.304 -6.175 1.00 0.00 H new ATOM 0 HA LYS A 18 4.275 22.534 -6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.127 24.566 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.794 24.927 -5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.461 24.098 -8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.826 23.602 -7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.533 25.686 -8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.397 26.071 -7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.832 27.721 -8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.804 26.745 -7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.678 27.216 -9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.805 25.629 -8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.581 26.028 -10.000 1.00 0.00 H new ATOM 247 N LEU A 19 2.698 22.532 -3.372 1.00 0.00 N ATOM 248 CA LEU A 19 2.875 22.488 -1.925 1.00 0.00 C ATOM 249 C LEU A 19 2.567 21.096 -1.381 1.00 0.00 C ATOM 250 O LEU A 19 1.762 20.359 -1.952 1.00 0.00 O ATOM 251 CB LEU A 19 1.974 23.523 -1.249 1.00 0.00 C ATOM 252 CG LEU A 19 0.494 23.155 -1.139 1.00 0.00 C ATOM 253 CD1 LEU A 19 -0.060 22.759 -2.499 1.00 0.00 C ATOM 254 CD2 LEU A 19 0.297 22.031 -0.133 1.00 0.00 C ATOM 0 H LEU A 19 1.750 22.325 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 19 3.916 22.723 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.357 23.709 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.055 24.460 -1.799 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.053 24.030 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.114 22.500 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.046 23.594 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.491 21.899 -2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.762 21.782 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.857 21.153 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.655 22.351 0.845 1.00 0.00 H new ATOM 266 N LEU A 20 3.210 20.744 -0.274 1.00 0.00 N ATOM 267 CA LEU A 20 3.004 19.441 0.350 1.00 0.00 C ATOM 268 C LEU A 20 3.249 19.512 1.853 1.00 0.00 C ATOM 269 O LEU A 20 3.741 20.516 2.366 1.00 0.00 O ATOM 270 CB LEU A 20 3.930 18.399 -0.281 1.00 0.00 C ATOM 271 CG LEU A 20 5.428 18.693 -0.194 1.00 0.00 C ATOM 272 CD1 LEU A 20 5.927 18.505 1.230 1.00 0.00 C ATOM 273 CD2 LEU A 20 6.202 17.802 -1.155 1.00 0.00 C ATOM 0 H LEU A 20 3.879 21.342 0.211 1.00 0.00 H new ATOM 0 HA LEU A 20 1.968 19.146 0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.740 17.437 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.661 18.292 -1.332 1.00 0.00 H new ATOM 0 HG LEU A 20 5.593 19.732 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.995 18.719 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.394 19.185 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.750 17.477 1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.266 18.024 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.031 16.756 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.864 17.986 -2.175 1.00 0.00 H new ATOM 285 N GLY A 21 2.903 18.437 2.556 1.00 0.00 N ATOM 286 CA GLY A 21 3.095 18.397 3.994 1.00 0.00 C ATOM 287 C GLY A 21 2.190 17.386 4.671 1.00 0.00 C ATOM 288 O GLY A 21 1.079 17.114 4.218 1.00 0.00 O ATOM 0 H GLY A 21 2.493 17.593 2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.135 18.153 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.906 19.386 4.411 1.00 0.00 H new ATOM 292 N PRO A 22 2.670 16.810 5.783 1.00 0.00 N ATOM 293 CA PRO A 22 1.913 15.813 6.547 1.00 0.00 C ATOM 294 C PRO A 22 0.712 16.421 7.263 1.00 0.00 C ATOM 295 O PRO A 22 0.615 17.640 7.408 1.00 0.00 O ATOM 296 CB PRO A 22 2.935 15.295 7.563 1.00 0.00 C ATOM 297 CG PRO A 22 3.911 16.409 7.721 1.00 0.00 C ATOM 298 CD PRO A 22 3.987 17.086 6.380 1.00 0.00 C ATOM 0 HA PRO A 22 1.498 15.036 5.905 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.459 15.048 8.512 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.424 14.388 7.206 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.585 17.107 8.493 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.888 16.032 8.024 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.166 18.156 6.480 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.796 16.683 5.772 1.00 0.00 H new ATOM 306 N SER A 23 -0.201 15.565 7.709 1.00 0.00 N ATOM 307 CA SER A 23 -1.398 16.018 8.407 1.00 0.00 C ATOM 308 C SER A 23 -1.573 15.273 9.727 1.00 0.00 C ATOM 309 O SER A 23 -1.096 14.150 9.886 1.00 0.00 O ATOM 310 CB SER A 23 -2.634 15.818 7.527 1.00 0.00 C ATOM 311 OG SER A 23 -2.535 16.568 6.329 1.00 0.00 O ATOM 0 H SER A 23 -0.135 14.553 7.599 1.00 0.00 H new ATOM 0 HA SER A 23 -1.282 17.080 8.623 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.747 14.760 7.289 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.527 16.119 8.075 1.00 0.00 H new ATOM 0 HG SER A 23 -3.336 16.421 5.784 1.00 0.00 H new ATOM 317 N SER A 24 -2.261 15.908 10.671 1.00 0.00 N ATOM 318 CA SER A 24 -2.496 15.308 11.979 1.00 0.00 C ATOM 319 C SER A 24 -2.988 13.870 11.837 1.00 0.00 C ATOM 320 O SER A 24 -3.744 13.550 10.921 1.00 0.00 O ATOM 321 CB SER A 24 -3.517 16.132 12.765 1.00 0.00 C ATOM 322 OG SER A 24 -3.826 15.515 14.003 1.00 0.00 O ATOM 0 H SER A 24 -2.665 16.837 10.554 1.00 0.00 H new ATOM 0 HA SER A 24 -1.551 15.299 12.522 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.122 17.133 12.942 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.427 16.248 12.176 1.00 0.00 H new ATOM 0 HG SER A 24 -4.479 16.062 14.487 1.00 0.00 H new ATOM 328 N GLU A 25 -2.551 13.009 12.750 1.00 0.00 N ATOM 329 CA GLU A 25 -2.946 11.606 12.727 1.00 0.00 C ATOM 330 C GLU A 25 -3.663 11.220 14.017 1.00 0.00 C ATOM 331 O GLU A 25 -3.043 11.110 15.075 1.00 0.00 O ATOM 332 CB GLU A 25 -1.721 10.712 12.525 1.00 0.00 C ATOM 333 CG GLU A 25 -2.062 9.311 12.045 1.00 0.00 C ATOM 334 CD GLU A 25 -3.110 8.637 12.908 1.00 0.00 C ATOM 335 OE1 GLU A 25 -2.760 8.178 14.016 1.00 0.00 O ATOM 336 OE2 GLU A 25 -4.280 8.569 12.477 1.00 0.00 O ATOM 0 H GLU A 25 -1.924 13.258 13.515 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.634 11.463 11.893 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.054 11.182 11.802 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.174 10.642 13.465 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.421 9.361 11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.157 8.703 12.038 1.00 0.00 H new ATOM 343 N ARG A 26 -4.973 11.017 13.921 1.00 0.00 N ATOM 344 CA ARG A 26 -5.775 10.646 15.081 1.00 0.00 C ATOM 345 C ARG A 26 -5.894 9.129 15.197 1.00 0.00 C ATOM 346 O ARG A 26 -6.068 8.432 14.198 1.00 0.00 O ATOM 347 CB ARG A 26 -7.168 11.271 14.984 1.00 0.00 C ATOM 348 CG ARG A 26 -8.167 10.689 15.972 1.00 0.00 C ATOM 349 CD ARG A 26 -9.582 10.718 15.415 1.00 0.00 C ATOM 350 NE ARG A 26 -10.300 11.927 15.808 1.00 0.00 N ATOM 351 CZ ARG A 26 -11.624 12.016 15.847 1.00 0.00 C ATOM 352 NH1 ARG A 26 -12.372 10.971 15.518 1.00 0.00 N ATOM 353 NH2 ARG A 26 -12.204 13.151 16.215 1.00 0.00 N ATOM 0 H ARG A 26 -5.501 11.103 13.053 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.275 11.023 15.973 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.088 12.345 15.152 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.549 11.134 13.972 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.889 9.662 16.210 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.130 11.253 16.904 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.545 10.656 14.327 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.128 9.842 15.766 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.754 12.749 16.067 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.930 10.097 15.234 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.389 11.042 15.549 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.633 13.957 16.468 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.221 13.218 16.244 1.00 0.00 H new ATOM 367 N ALA A 27 -5.797 8.626 16.423 1.00 0.00 N ATOM 368 CA ALA A 27 -5.894 7.192 16.670 1.00 0.00 C ATOM 369 C ALA A 27 -7.314 6.690 16.431 1.00 0.00 C ATOM 370 O ALA A 27 -8.288 7.382 16.730 1.00 0.00 O ATOM 371 CB ALA A 27 -5.449 6.870 18.088 1.00 0.00 C ATOM 0 H ALA A 27 -5.651 9.190 17.261 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.233 6.681 15.970 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.527 5.796 18.259 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.415 7.185 18.225 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.086 7.397 18.798 1.00 0.00 H new ATOM 377 N THR A 28 -7.426 5.480 15.891 1.00 0.00 N ATOM 378 CA THR A 28 -8.727 4.885 15.611 1.00 0.00 C ATOM 379 C THR A 28 -8.974 3.665 16.491 1.00 0.00 C ATOM 380 O THR A 28 -8.057 2.917 16.828 1.00 0.00 O ATOM 381 CB THR A 28 -8.848 4.471 14.132 1.00 0.00 C ATOM 382 OG1 THR A 28 -7.787 3.574 13.786 1.00 0.00 O ATOM 383 CG2 THR A 28 -8.805 5.690 13.223 1.00 0.00 C ATOM 0 H THR A 28 -6.631 4.893 15.639 1.00 0.00 H new ATOM 0 HA THR A 28 -9.477 5.645 15.830 1.00 0.00 H new ATOM 0 HB THR A 28 -9.806 3.970 13.995 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.872 3.314 12.845 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.892 5.372 12.184 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.631 6.357 13.469 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.861 6.216 13.364 1.00 0.00 H new ATOM 391 N PRO A 29 -10.244 3.458 16.872 1.00 0.00 N ATOM 392 CA PRO A 29 -10.642 2.328 17.717 1.00 0.00 C ATOM 393 C PRO A 29 -10.540 0.994 16.987 1.00 0.00 C ATOM 394 O PRO A 29 -10.305 -0.046 17.603 1.00 0.00 O ATOM 395 CB PRO A 29 -12.100 2.639 18.062 1.00 0.00 C ATOM 396 CG PRO A 29 -12.578 3.501 16.944 1.00 0.00 C ATOM 397 CD PRO A 29 -11.388 4.310 16.507 1.00 0.00 C ATOM 0 HA PRO A 29 -9.996 2.224 18.589 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -12.692 1.727 18.140 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.179 3.153 19.020 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -12.962 2.897 16.122 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -13.391 4.149 17.271 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.412 4.514 15.436 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -11.349 5.274 17.014 1.00 0.00 H new ATOM 405 N ALA A 30 -10.717 1.030 15.670 1.00 0.00 N ATOM 406 CA ALA A 30 -10.642 -0.177 14.856 1.00 0.00 C ATOM 407 C ALA A 30 -10.481 0.167 13.379 1.00 0.00 C ATOM 408 O ALA A 30 -11.196 1.017 12.847 1.00 0.00 O ATOM 409 CB ALA A 30 -11.881 -1.034 15.068 1.00 0.00 C ATOM 0 H ALA A 30 -10.913 1.882 15.144 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.764 -0.743 15.169 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.812 -1.932 14.454 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.952 -1.317 16.118 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.768 -0.468 14.784 1.00 0.00 H new ATOM 415 N PHE A 31 -9.538 -0.498 12.721 1.00 0.00 N ATOM 416 CA PHE A 31 -9.282 -0.262 11.305 1.00 0.00 C ATOM 417 C PHE A 31 -9.513 -1.532 10.491 1.00 0.00 C ATOM 418 O PHE A 31 -9.178 -2.633 10.928 1.00 0.00 O ATOM 419 CB PHE A 31 -7.850 0.236 11.100 1.00 0.00 C ATOM 420 CG PHE A 31 -6.807 -0.810 11.372 1.00 0.00 C ATOM 421 CD1 PHE A 31 -6.371 -1.052 12.665 1.00 0.00 C ATOM 422 CD2 PHE A 31 -6.263 -1.552 10.336 1.00 0.00 C ATOM 423 CE1 PHE A 31 -5.411 -2.014 12.919 1.00 0.00 C ATOM 424 CE2 PHE A 31 -5.303 -2.515 10.584 1.00 0.00 C ATOM 425 CZ PHE A 31 -4.878 -2.747 11.877 1.00 0.00 C ATOM 0 H PHE A 31 -8.938 -1.205 13.146 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.978 0.502 10.958 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.740 0.589 10.075 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.674 1.091 11.753 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.786 -0.483 13.484 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.593 -1.376 9.323 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.078 -2.192 13.931 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.886 -3.085 9.767 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.130 -3.501 12.073 1.00 0.00 H new ATOM 435 N HIS A 32 -10.089 -1.370 9.303 1.00 0.00 N ATOM 436 CA HIS A 32 -10.365 -2.503 8.427 1.00 0.00 C ATOM 437 C HIS A 32 -9.826 -2.247 7.023 1.00 0.00 C ATOM 438 O HIS A 32 -10.457 -1.581 6.201 1.00 0.00 O ATOM 439 CB HIS A 32 -11.868 -2.774 8.368 1.00 0.00 C ATOM 440 CG HIS A 32 -12.645 -1.693 7.682 1.00 0.00 C ATOM 441 ND1 HIS A 32 -13.447 -1.923 6.584 1.00 0.00 N ATOM 442 CD2 HIS A 32 -12.742 -0.369 7.945 1.00 0.00 C ATOM 443 CE1 HIS A 32 -14.001 -0.787 6.200 1.00 0.00 C ATOM 444 NE2 HIS A 32 -13.590 0.172 7.010 1.00 0.00 N ATOM 0 H HIS A 32 -10.373 -0.466 8.926 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.862 -3.379 8.836 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.039 -3.718 7.850 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.247 -2.895 9.383 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.245 0.163 8.742 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.675 -0.663 5.366 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -13.859 1.154 6.951 1.00 0.00 H new ATOM 453 N PRO A 33 -8.632 -2.788 6.739 1.00 0.00 N ATOM 454 CA PRO A 33 -7.982 -2.631 5.434 1.00 0.00 C ATOM 455 C PRO A 33 -8.702 -3.401 4.332 1.00 0.00 C ATOM 456 O PRO A 33 -9.486 -4.310 4.606 1.00 0.00 O ATOM 457 CB PRO A 33 -6.583 -3.208 5.663 1.00 0.00 C ATOM 458 CG PRO A 33 -6.749 -4.169 6.790 1.00 0.00 C ATOM 459 CD PRO A 33 -7.824 -3.593 7.670 1.00 0.00 C ATOM 0 HA PRO A 33 -7.981 -1.593 5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.209 -3.707 4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.868 -2.424 5.913 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.032 -5.156 6.423 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.816 -4.289 7.341 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.417 -4.375 8.144 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.405 -2.982 8.469 1.00 0.00 H new ATOM 467 N VAL A 34 -8.430 -3.033 3.084 1.00 0.00 N ATOM 468 CA VAL A 34 -9.050 -3.690 1.941 1.00 0.00 C ATOM 469 C VAL A 34 -8.377 -5.025 1.642 1.00 0.00 C ATOM 470 O VAL A 34 -9.023 -5.971 1.190 1.00 0.00 O ATOM 471 CB VAL A 34 -8.989 -2.804 0.683 1.00 0.00 C ATOM 472 CG1 VAL A 34 -9.908 -1.601 0.832 1.00 0.00 C ATOM 473 CG2 VAL A 34 -7.559 -2.363 0.411 1.00 0.00 C ATOM 0 H VAL A 34 -7.784 -2.283 2.839 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.093 -3.863 2.204 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.332 -3.390 -0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.852 -0.987 -0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.933 -1.942 0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.598 -1.011 1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.535 -1.738 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.185 -1.795 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.931 -3.240 0.257 1.00 0.00 H new ATOM 483 N CYS A 35 -7.075 -5.094 1.897 1.00 0.00 N ATOM 484 CA CYS A 35 -6.312 -6.314 1.655 1.00 0.00 C ATOM 485 C CYS A 35 -4.946 -6.243 2.328 1.00 0.00 C ATOM 486 O CYS A 35 -4.573 -5.214 2.891 1.00 0.00 O ATOM 487 CB CYS A 35 -6.143 -6.545 0.153 1.00 0.00 C ATOM 488 SG CYS A 35 -7.463 -7.527 -0.597 1.00 0.00 S ATOM 0 H CYS A 35 -6.526 -4.320 2.271 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.865 -7.150 2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.094 -5.579 -0.349 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.190 -7.044 -0.022 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.609 -7.161 -0.105 1.00 0.00 H new ATOM 494 N GLN A 36 -4.204 -7.345 2.268 1.00 0.00 N ATOM 495 CA GLN A 36 -2.879 -7.407 2.874 1.00 0.00 C ATOM 496 C GLN A 36 -1.821 -7.762 1.834 1.00 0.00 C ATOM 497 O GLN A 36 -1.914 -8.790 1.164 1.00 0.00 O ATOM 498 CB GLN A 36 -2.862 -8.435 4.007 1.00 0.00 C ATOM 499 CG GLN A 36 -1.725 -8.231 4.995 1.00 0.00 C ATOM 500 CD GLN A 36 -1.544 -9.413 5.927 1.00 0.00 C ATOM 501 OE1 GLN A 36 -2.139 -10.473 5.728 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.719 -9.238 6.953 1.00 0.00 N ATOM 0 H GLN A 36 -4.498 -8.206 1.806 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.646 -6.423 3.281 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.810 -8.389 4.542 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.786 -9.434 3.579 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.799 -8.060 4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.917 -7.334 5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.246 -8.343 7.080 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.558 -9.998 7.613 1.00 0.00 H new ATOM 511 N VAL A 37 -0.815 -6.903 1.705 1.00 0.00 N ATOM 512 CA VAL A 37 0.262 -7.126 0.747 1.00 0.00 C ATOM 513 C VAL A 37 1.618 -7.152 1.442 1.00 0.00 C ATOM 514 O VAL A 37 1.711 -6.946 2.653 1.00 0.00 O ATOM 515 CB VAL A 37 0.277 -6.038 -0.344 1.00 0.00 C ATOM 516 CG1 VAL A 37 -1.091 -5.920 -0.999 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.714 -4.704 0.241 1.00 0.00 C ATOM 0 H VAL A 37 -0.723 -6.047 2.251 1.00 0.00 H new ATOM 0 HA VAL A 37 0.077 -8.094 0.282 1.00 0.00 H new ATOM 0 HB VAL A 37 0.997 -6.326 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.061 -5.147 -1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.360 -6.873 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.833 -5.655 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.719 -3.947 -0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.020 -4.407 1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.716 -4.801 0.658 1.00 0.00 H new ATOM 527 N ILE A 38 2.668 -7.405 0.668 1.00 0.00 N ATOM 528 CA ILE A 38 4.021 -7.456 1.209 1.00 0.00 C ATOM 529 C ILE A 38 4.988 -6.652 0.348 1.00 0.00 C ATOM 530 O ILE A 38 4.784 -6.499 -0.856 1.00 0.00 O ATOM 531 CB ILE A 38 4.530 -8.906 1.316 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.734 -8.979 2.258 1.00 0.00 C ATOM 533 CG2 ILE A 38 4.895 -9.442 -0.060 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.897 -10.326 2.927 1.00 0.00 C ATOM 0 H ILE A 38 2.608 -7.578 -0.335 1.00 0.00 H new ATOM 0 HA ILE A 38 3.978 -7.020 2.207 1.00 0.00 H new ATOM 0 HB ILE A 38 3.733 -9.526 1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.639 -8.750 1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.632 -8.211 3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.253 -10.467 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.016 -9.421 -0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.678 -8.822 -0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.770 -10.305 3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.008 -10.549 3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.031 -11.096 2.167 1.00 0.00 H new ATOM 546 N ALA A 39 6.044 -6.140 0.973 1.00 0.00 N ATOM 547 CA ALA A 39 7.045 -5.354 0.264 1.00 0.00 C ATOM 548 C ALA A 39 7.939 -6.247 -0.591 1.00 0.00 C ATOM 549 O ALA A 39 8.487 -7.237 -0.107 1.00 0.00 O ATOM 550 CB ALA A 39 7.883 -4.554 1.250 1.00 0.00 C ATOM 0 H ALA A 39 6.228 -6.256 1.970 1.00 0.00 H new ATOM 0 HA ALA A 39 6.526 -4.662 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.627 -3.971 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.237 -3.882 1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.386 -5.235 1.936 1.00 0.00 H new ATOM 556 N MET A 40 8.081 -5.890 -1.863 1.00 0.00 N ATOM 557 CA MET A 40 8.909 -6.659 -2.784 1.00 0.00 C ATOM 558 C MET A 40 10.361 -6.196 -2.727 1.00 0.00 C ATOM 559 O MET A 40 11.284 -6.991 -2.904 1.00 0.00 O ATOM 560 CB MET A 40 8.376 -6.529 -4.213 1.00 0.00 C ATOM 561 CG MET A 40 6.965 -7.068 -4.386 1.00 0.00 C ATOM 562 SD MET A 40 6.530 -7.331 -6.116 1.00 0.00 S ATOM 563 CE MET A 40 6.908 -5.723 -6.808 1.00 0.00 C ATOM 0 H MET A 40 7.634 -5.073 -2.279 1.00 0.00 H new ATOM 0 HA MET A 40 8.868 -7.706 -2.482 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.393 -5.479 -4.505 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.045 -7.059 -4.891 1.00 0.00 H new ATOM 0 HG2 MET A 40 6.871 -8.009 -3.844 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.256 -6.371 -3.939 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.035 -5.340 -7.336 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.177 -5.036 -6.006 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.742 -5.813 -7.504 1.00 0.00 H new ATOM 573 N TYR A 41 10.556 -4.905 -2.479 1.00 0.00 N ATOM 574 CA TYR A 41 11.896 -4.336 -2.401 1.00 0.00 C ATOM 575 C TYR A 41 12.021 -3.401 -1.202 1.00 0.00 C ATOM 576 O TYR A 41 11.032 -2.840 -0.731 1.00 0.00 O ATOM 577 CB TYR A 41 12.226 -3.579 -3.689 1.00 0.00 C ATOM 578 CG TYR A 41 11.625 -4.202 -4.929 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.254 -5.260 -5.573 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.428 -3.732 -5.455 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.708 -5.831 -6.707 1.00 0.00 C ATOM 582 CE2 TYR A 41 9.875 -4.298 -6.587 1.00 0.00 C ATOM 583 CZ TYR A 41 10.519 -5.347 -7.210 1.00 0.00 C ATOM 584 OH TYR A 41 9.971 -5.914 -8.338 1.00 0.00 O ATOM 0 H TYR A 41 9.803 -4.233 -2.329 1.00 0.00 H new ATOM 0 HA TYR A 41 12.605 -5.154 -2.276 1.00 0.00 H new ATOM 0 HB2 TYR A 41 11.869 -2.553 -3.599 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.309 -3.531 -3.805 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.185 -5.643 -5.181 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.921 -2.910 -4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.210 -6.652 -7.197 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.943 -3.921 -6.982 1.00 0.00 H new ATOM 0 HH TYR A 41 10.221 -6.861 -8.383 1.00 0.00 H new ATOM 594 N ASP A 42 13.246 -3.238 -0.714 1.00 0.00 N ATOM 595 CA ASP A 42 13.504 -2.371 0.430 1.00 0.00 C ATOM 596 C ASP A 42 13.180 -0.918 0.094 1.00 0.00 C ATOM 597 O ASP A 42 13.974 -0.226 -0.544 1.00 0.00 O ATOM 598 CB ASP A 42 14.964 -2.492 0.870 1.00 0.00 C ATOM 599 CG ASP A 42 15.918 -2.577 -0.305 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.998 -3.657 -0.927 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.585 -1.564 -0.602 1.00 0.00 O ATOM 0 H ASP A 42 14.076 -3.695 -1.093 1.00 0.00 H new ATOM 0 HA ASP A 42 12.858 -2.689 1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.227 -1.632 1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.080 -3.379 1.493 1.00 0.00 H new ATOM 606 N TYR A 43 12.009 -0.463 0.525 1.00 0.00 N ATOM 607 CA TYR A 43 11.579 0.905 0.267 1.00 0.00 C ATOM 608 C TYR A 43 12.056 1.844 1.371 1.00 0.00 C ATOM 609 O TYR A 43 11.863 1.574 2.556 1.00 0.00 O ATOM 610 CB TYR A 43 10.055 0.970 0.151 1.00 0.00 C ATOM 611 CG TYR A 43 9.557 2.169 -0.623 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.703 3.456 -0.119 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.939 2.017 -1.858 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.249 4.555 -0.822 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.483 3.110 -2.569 1.00 0.00 C ATOM 616 CZ TYR A 43 8.640 4.377 -2.047 1.00 0.00 C ATOM 617 OH TYR A 43 8.186 5.468 -2.751 1.00 0.00 O ATOM 0 H TYR A 43 11.341 -1.022 1.055 1.00 0.00 H new ATOM 0 HA TYR A 43 12.023 1.226 -0.675 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.697 0.061 -0.333 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.623 0.989 1.152 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.180 3.599 0.839 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.813 1.026 -2.270 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.370 5.548 -0.415 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.006 2.973 -3.528 1.00 0.00 H new ATOM 0 HH TYR A 43 8.005 5.207 -3.678 1.00 0.00 H new ATOM 627 N ALA A 44 12.679 2.948 0.972 1.00 0.00 N ATOM 628 CA ALA A 44 13.181 3.929 1.926 1.00 0.00 C ATOM 629 C ALA A 44 12.510 5.284 1.726 1.00 0.00 C ATOM 630 O ALA A 44 12.828 6.011 0.785 1.00 0.00 O ATOM 631 CB ALA A 44 14.692 4.062 1.800 1.00 0.00 C ATOM 0 H ALA A 44 12.848 3.185 -0.005 1.00 0.00 H new ATOM 0 HA ALA A 44 12.940 3.579 2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.054 4.798 2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.160 3.098 2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.946 4.385 0.790 1.00 0.00 H new ATOM 637 N ALA A 45 11.581 5.616 2.615 1.00 0.00 N ATOM 638 CA ALA A 45 10.866 6.884 2.536 1.00 0.00 C ATOM 639 C ALA A 45 11.817 8.062 2.713 1.00 0.00 C ATOM 640 O ALA A 45 12.359 8.277 3.797 1.00 0.00 O ATOM 641 CB ALA A 45 9.761 6.933 3.581 1.00 0.00 C ATOM 0 H ALA A 45 11.305 5.025 3.399 1.00 0.00 H new ATOM 0 HA ALA A 45 10.417 6.959 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.236 7.885 3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.059 6.117 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.196 6.831 4.575 1.00 0.00 H new ATOM 647 N ASN A 46 12.016 8.822 1.641 1.00 0.00 N ATOM 648 CA ASN A 46 12.904 9.979 1.679 1.00 0.00 C ATOM 649 C ASN A 46 12.511 10.930 2.805 1.00 0.00 C ATOM 650 O ASN A 46 13.343 11.675 3.320 1.00 0.00 O ATOM 651 CB ASN A 46 12.872 10.716 0.339 1.00 0.00 C ATOM 652 CG ASN A 46 11.789 11.776 0.287 1.00 0.00 C ATOM 653 OD1 ASN A 46 11.947 12.868 0.833 1.00 0.00 O ATOM 654 ND2 ASN A 46 10.680 11.458 -0.370 1.00 0.00 N ATOM 0 H ASN A 46 11.575 8.658 0.736 1.00 0.00 H new ATOM 0 HA ASN A 46 13.917 9.623 1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.841 11.182 0.161 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.711 9.997 -0.464 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.916 12.131 -0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.592 10.541 -0.808 1.00 0.00 H new ATOM 661 N ASN A 47 11.237 10.898 3.181 1.00 0.00 N ATOM 662 CA ASN A 47 10.733 11.757 4.247 1.00 0.00 C ATOM 663 C ASN A 47 9.561 11.099 4.968 1.00 0.00 C ATOM 664 O ASN A 47 9.170 9.978 4.643 1.00 0.00 O ATOM 665 CB ASN A 47 10.301 13.110 3.677 1.00 0.00 C ATOM 666 CG ASN A 47 9.412 12.967 2.457 1.00 0.00 C ATOM 667 OD1 ASN A 47 8.683 11.985 2.318 1.00 0.00 O ATOM 668 ND2 ASN A 47 9.469 13.949 1.565 1.00 0.00 N ATOM 0 H ASN A 47 10.535 10.287 2.764 1.00 0.00 H new ATOM 0 HA ASN A 47 11.537 11.912 4.966 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.771 13.672 4.446 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.186 13.689 3.412 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.894 13.908 0.724 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.088 14.745 1.721 1.00 0.00 H new ATOM 675 N GLU A 48 9.004 11.804 5.948 1.00 0.00 N ATOM 676 CA GLU A 48 7.877 11.288 6.715 1.00 0.00 C ATOM 677 C GLU A 48 6.677 11.025 5.809 1.00 0.00 C ATOM 678 O GLU A 48 5.921 10.077 6.022 1.00 0.00 O ATOM 679 CB GLU A 48 7.489 12.273 7.820 1.00 0.00 C ATOM 680 CG GLU A 48 8.607 12.546 8.811 1.00 0.00 C ATOM 681 CD GLU A 48 8.442 13.873 9.526 1.00 0.00 C ATOM 682 OE1 GLU A 48 7.375 14.086 10.141 1.00 0.00 O ATOM 683 OE2 GLU A 48 9.377 14.699 9.471 1.00 0.00 O ATOM 0 H GLU A 48 9.315 12.734 6.229 1.00 0.00 H new ATOM 0 HA GLU A 48 8.181 10.345 7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.181 13.214 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.626 11.881 8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.639 11.743 9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.563 12.536 8.287 1.00 0.00 H new ATOM 690 N ASP A 49 6.510 11.871 4.799 1.00 0.00 N ATOM 691 CA ASP A 49 5.403 11.731 3.859 1.00 0.00 C ATOM 692 C ASP A 49 5.330 10.308 3.315 1.00 0.00 C ATOM 693 O ASP A 49 4.247 9.737 3.188 1.00 0.00 O ATOM 694 CB ASP A 49 5.556 12.724 2.706 1.00 0.00 C ATOM 695 CG ASP A 49 4.580 12.455 1.578 1.00 0.00 C ATOM 696 OD1 ASP A 49 3.450 12.008 1.864 1.00 0.00 O ATOM 697 OD2 ASP A 49 4.946 12.694 0.408 1.00 0.00 O ATOM 0 H ASP A 49 7.127 12.661 4.610 1.00 0.00 H new ATOM 0 HA ASP A 49 4.477 11.945 4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.405 13.737 3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.575 12.675 2.321 1.00 0.00 H new ATOM 702 N GLU A 50 6.489 9.741 2.994 1.00 0.00 N ATOM 703 CA GLU A 50 6.555 8.386 2.461 1.00 0.00 C ATOM 704 C GLU A 50 6.727 7.367 3.584 1.00 0.00 C ATOM 705 O GLU A 50 7.028 7.727 4.723 1.00 0.00 O ATOM 706 CB GLU A 50 7.709 8.261 1.464 1.00 0.00 C ATOM 707 CG GLU A 50 7.481 9.026 0.171 1.00 0.00 C ATOM 708 CD GLU A 50 8.653 8.919 -0.785 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.452 7.970 -0.638 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.772 9.783 -1.678 1.00 0.00 O ATOM 0 H GLU A 50 7.395 10.199 3.094 1.00 0.00 H new ATOM 0 HA GLU A 50 5.616 8.180 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.624 8.622 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.864 7.208 1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.583 8.647 -0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.300 10.076 0.402 1.00 0.00 H new ATOM 717 N LEU A 51 6.533 6.095 3.256 1.00 0.00 N ATOM 718 CA LEU A 51 6.666 5.023 4.236 1.00 0.00 C ATOM 719 C LEU A 51 7.968 4.255 4.031 1.00 0.00 C ATOM 720 O LEU A 51 8.245 3.764 2.937 1.00 0.00 O ATOM 721 CB LEU A 51 5.476 4.066 4.139 1.00 0.00 C ATOM 722 CG LEU A 51 5.037 3.406 5.447 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.900 2.428 5.196 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.212 2.702 6.110 1.00 0.00 C ATOM 0 H LEU A 51 6.283 5.780 2.319 1.00 0.00 H new ATOM 0 HA LEU A 51 6.684 5.473 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.627 4.614 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.724 3.281 3.425 1.00 0.00 H new ATOM 0 HG LEU A 51 4.678 4.184 6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.601 1.968 6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.051 2.960 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.232 1.654 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.881 2.238 7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.602 1.935 5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.996 3.428 6.326 1.00 0.00 H new ATOM 736 N SER A 52 8.763 4.155 5.091 1.00 0.00 N ATOM 737 CA SER A 52 10.037 3.448 5.027 1.00 0.00 C ATOM 738 C SER A 52 9.889 2.014 5.527 1.00 0.00 C ATOM 739 O SER A 52 9.607 1.780 6.702 1.00 0.00 O ATOM 740 CB SER A 52 11.094 4.182 5.855 1.00 0.00 C ATOM 741 OG SER A 52 10.699 4.283 7.212 1.00 0.00 O ATOM 0 H SER A 52 8.548 4.554 6.005 1.00 0.00 H new ATOM 0 HA SER A 52 10.356 3.420 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.045 3.653 5.788 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.254 5.179 5.444 1.00 0.00 H new ATOM 0 HG SER A 52 10.234 3.463 7.479 1.00 0.00 H new ATOM 747 N PHE A 53 10.081 1.057 4.625 1.00 0.00 N ATOM 748 CA PHE A 53 9.968 -0.354 4.972 1.00 0.00 C ATOM 749 C PHE A 53 11.006 -1.184 4.222 1.00 0.00 C ATOM 750 O PHE A 53 11.643 -0.701 3.286 1.00 0.00 O ATOM 751 CB PHE A 53 8.562 -0.868 4.655 1.00 0.00 C ATOM 752 CG PHE A 53 8.115 -0.565 3.254 1.00 0.00 C ATOM 753 CD1 PHE A 53 7.552 0.662 2.942 1.00 0.00 C ATOM 754 CD2 PHE A 53 8.256 -1.508 2.248 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.140 0.944 1.654 1.00 0.00 C ATOM 756 CE2 PHE A 53 7.846 -1.231 0.958 1.00 0.00 C ATOM 757 CZ PHE A 53 7.286 -0.004 0.660 1.00 0.00 C ATOM 0 H PHE A 53 10.316 1.234 3.648 1.00 0.00 H new ATOM 0 HA PHE A 53 10.152 -0.455 6.042 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.534 -1.946 4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.855 -0.426 5.357 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.434 1.407 3.715 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.691 -2.470 2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.704 1.905 1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.963 -1.974 0.183 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.963 0.214 -0.347 1.00 0.00 H new ATOM 767 N SER A 54 11.171 -2.434 4.641 1.00 0.00 N ATOM 768 CA SER A 54 12.134 -3.331 4.013 1.00 0.00 C ATOM 769 C SER A 54 11.433 -4.542 3.406 1.00 0.00 C ATOM 770 O SER A 54 10.407 -4.998 3.911 1.00 0.00 O ATOM 771 CB SER A 54 13.177 -3.789 5.034 1.00 0.00 C ATOM 772 OG SER A 54 13.927 -2.691 5.525 1.00 0.00 O ATOM 0 H SER A 54 10.650 -2.849 5.413 1.00 0.00 H new ATOM 0 HA SER A 54 12.634 -2.785 3.213 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.681 -4.295 5.863 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.847 -4.514 4.573 1.00 0.00 H new ATOM 0 HG SER A 54 14.585 -3.010 6.177 1.00 0.00 H new ATOM 778 N LYS A 55 11.996 -5.060 2.319 1.00 0.00 N ATOM 779 CA LYS A 55 11.428 -6.220 1.642 1.00 0.00 C ATOM 780 C LYS A 55 10.885 -7.227 2.651 1.00 0.00 C ATOM 781 O LYS A 55 11.621 -7.725 3.502 1.00 0.00 O ATOM 782 CB LYS A 55 12.483 -6.886 0.756 1.00 0.00 C ATOM 783 CG LYS A 55 12.050 -8.232 0.202 1.00 0.00 C ATOM 784 CD LYS A 55 13.060 -8.776 -0.794 1.00 0.00 C ATOM 785 CE LYS A 55 12.842 -10.259 -1.056 1.00 0.00 C ATOM 786 NZ LYS A 55 11.566 -10.512 -1.781 1.00 0.00 N ATOM 0 H LYS A 55 12.845 -4.695 1.888 1.00 0.00 H new ATOM 0 HA LYS A 55 10.603 -5.878 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.721 -6.221 -0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.399 -7.017 1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.927 -8.941 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.078 -8.132 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.982 -8.225 -1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.069 -8.617 -0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.675 -10.651 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.835 -10.798 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.454 -11.534 -1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.769 -10.161 -1.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.583 -10.019 -2.696 1.00 0.00 H new ATOM 800 N GLY A 56 9.593 -7.524 2.548 1.00 0.00 N ATOM 801 CA GLY A 56 8.975 -8.472 3.456 1.00 0.00 C ATOM 802 C GLY A 56 8.396 -7.802 4.687 1.00 0.00 C ATOM 803 O GLY A 56 8.339 -8.404 5.759 1.00 0.00 O ATOM 0 H GLY A 56 8.963 -7.125 1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.184 -9.009 2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.714 -9.212 3.763 1.00 0.00 H new ATOM 807 N GLN A 57 7.966 -6.554 4.532 1.00 0.00 N ATOM 808 CA GLN A 57 7.391 -5.802 5.641 1.00 0.00 C ATOM 809 C GLN A 57 5.880 -6.001 5.708 1.00 0.00 C ATOM 810 O GLN A 57 5.244 -6.347 4.711 1.00 0.00 O ATOM 811 CB GLN A 57 7.716 -4.314 5.499 1.00 0.00 C ATOM 812 CG GLN A 57 7.812 -3.583 6.828 1.00 0.00 C ATOM 813 CD GLN A 57 8.977 -4.058 7.673 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.582 -5.093 7.391 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.299 -3.303 8.716 1.00 0.00 N ATOM 0 H GLN A 57 8.005 -6.043 3.650 1.00 0.00 H new ATOM 0 HA GLN A 57 7.830 -6.175 6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.660 -4.206 4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.948 -3.840 4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.914 -2.514 6.643 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.885 -3.723 7.383 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.771 -2.453 8.913 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.075 -3.573 9.321 1.00 0.00 H new ATOM 824 N LEU A 58 5.311 -5.781 6.888 1.00 0.00 N ATOM 825 CA LEU A 58 3.874 -5.937 7.085 1.00 0.00 C ATOM 826 C LEU A 58 3.122 -4.696 6.613 1.00 0.00 C ATOM 827 O LEU A 58 3.118 -3.667 7.288 1.00 0.00 O ATOM 828 CB LEU A 58 3.568 -6.202 8.560 1.00 0.00 C ATOM 829 CG LEU A 58 2.208 -5.714 9.061 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.090 -6.257 8.186 1.00 0.00 C ATOM 831 CD2 LEU A 58 1.997 -6.121 10.513 1.00 0.00 C ATOM 0 H LEU A 58 5.822 -5.494 7.723 1.00 0.00 H new ATOM 0 HA LEU A 58 3.541 -6.789 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.634 -7.275 8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.345 -5.731 9.162 1.00 0.00 H new ATOM 0 HG LEU A 58 2.190 -4.626 9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.130 -5.899 8.558 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.232 -5.915 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.105 -7.347 8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.024 -5.765 10.853 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.035 -7.207 10.596 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.780 -5.682 11.131 1.00 0.00 H new ATOM 843 N ILE A 59 2.487 -4.803 5.451 1.00 0.00 N ATOM 844 CA ILE A 59 1.730 -3.691 4.890 1.00 0.00 C ATOM 845 C ILE A 59 0.280 -4.088 4.632 1.00 0.00 C ATOM 846 O ILE A 59 0.008 -5.128 4.034 1.00 0.00 O ATOM 847 CB ILE A 59 2.355 -3.190 3.575 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.755 -2.628 3.832 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.465 -2.136 2.933 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.590 -2.491 2.578 1.00 0.00 C ATOM 0 H ILE A 59 2.482 -5.648 4.880 1.00 0.00 H new ATOM 0 HA ILE A 59 1.759 -2.887 5.625 1.00 0.00 H new ATOM 0 HB ILE A 59 2.442 -4.031 2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.664 -1.651 4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.275 -3.278 4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.920 -1.792 2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.487 -2.567 2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.349 -1.293 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.569 -2.087 2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.712 -3.469 2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.091 -1.818 1.881 1.00 0.00 H new ATOM 862 N ASN A 60 -0.647 -3.251 5.086 1.00 0.00 N ATOM 863 CA ASN A 60 -2.070 -3.514 4.903 1.00 0.00 C ATOM 864 C ASN A 60 -2.734 -2.388 4.117 1.00 0.00 C ATOM 865 O ASN A 60 -3.031 -1.326 4.663 1.00 0.00 O ATOM 866 CB ASN A 60 -2.758 -3.679 6.259 1.00 0.00 C ATOM 867 CG ASN A 60 -2.329 -4.946 6.975 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.261 -5.495 6.701 1.00 0.00 O ATOM 869 ND2 ASN A 60 -3.161 -5.415 7.897 1.00 0.00 N ATOM 0 H ASN A 60 -0.439 -2.385 5.583 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.173 -4.439 4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.531 -2.816 6.886 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.838 -3.694 6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.926 -6.264 8.412 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.035 -4.927 8.091 1.00 0.00 H new ATOM 876 N VAL A 61 -2.967 -2.629 2.830 1.00 0.00 N ATOM 877 CA VAL A 61 -3.598 -1.636 1.968 1.00 0.00 C ATOM 878 C VAL A 61 -4.975 -1.247 2.495 1.00 0.00 C ATOM 879 O VAL A 61 -5.827 -2.104 2.724 1.00 0.00 O ATOM 880 CB VAL A 61 -3.740 -2.155 0.525 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.362 -1.091 -0.366 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.389 -2.595 -0.018 1.00 0.00 C ATOM 0 H VAL A 61 -2.728 -3.503 2.362 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.951 -0.759 1.968 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.402 -3.021 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.454 -1.476 -1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.349 -0.830 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.728 -0.204 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.508 -2.959 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.702 -1.749 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.988 -3.393 0.607 1.00 0.00 H new ATOM 892 N MET A 62 -5.184 0.051 2.685 1.00 0.00 N ATOM 893 CA MET A 62 -6.459 0.555 3.183 1.00 0.00 C ATOM 894 C MET A 62 -7.237 1.258 2.075 1.00 0.00 C ATOM 895 O MET A 62 -8.463 1.176 2.017 1.00 0.00 O ATOM 896 CB MET A 62 -6.231 1.516 4.351 1.00 0.00 C ATOM 897 CG MET A 62 -5.279 0.976 5.406 1.00 0.00 C ATOM 898 SD MET A 62 -6.128 0.053 6.701 1.00 0.00 S ATOM 899 CE MET A 62 -5.626 0.969 8.155 1.00 0.00 C ATOM 0 H MET A 62 -4.487 0.773 2.502 1.00 0.00 H new ATOM 0 HA MET A 62 -7.046 -0.295 3.531 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.837 2.456 3.965 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.190 1.740 4.819 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.542 0.330 4.928 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.732 1.805 5.855 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.216 0.281 8.894 1.00 0.00 H new ATOM 0 HE2 MET A 62 -4.867 1.701 7.880 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.489 1.483 8.577 1.00 0.00 H new ATOM 909 N ASN A 63 -6.515 1.948 1.198 1.00 0.00 N ATOM 910 CA ASN A 63 -7.139 2.666 0.092 1.00 0.00 C ATOM 911 C ASN A 63 -6.313 2.524 -1.183 1.00 0.00 C ATOM 912 O ASN A 63 -5.249 3.128 -1.318 1.00 0.00 O ATOM 913 CB ASN A 63 -7.302 4.146 0.445 1.00 0.00 C ATOM 914 CG ASN A 63 -8.153 4.890 -0.565 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.934 4.791 -1.772 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.131 5.642 -0.073 1.00 0.00 N ATOM 0 H ASN A 63 -5.498 2.025 1.231 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.123 2.230 -0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.755 4.234 1.433 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.319 4.614 0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.737 6.167 -0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.276 5.694 0.935 1.00 0.00 H new ATOM 923 N LYS A 64 -6.811 1.720 -2.117 1.00 0.00 N ATOM 924 CA LYS A 64 -6.122 1.498 -3.383 1.00 0.00 C ATOM 925 C LYS A 64 -6.877 2.155 -4.535 1.00 0.00 C ATOM 926 O LYS A 64 -6.862 1.658 -5.661 1.00 0.00 O ATOM 927 CB LYS A 64 -5.969 -0.001 -3.648 1.00 0.00 C ATOM 928 CG LYS A 64 -7.287 -0.711 -3.906 1.00 0.00 C ATOM 929 CD LYS A 64 -7.107 -1.899 -4.836 1.00 0.00 C ATOM 930 CE LYS A 64 -6.251 -2.982 -4.198 1.00 0.00 C ATOM 931 NZ LYS A 64 -5.484 -3.754 -5.215 1.00 0.00 N ATOM 0 H LYS A 64 -7.690 1.211 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.133 1.951 -3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.314 -0.144 -4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.478 -0.464 -2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.711 -1.049 -2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.999 -0.011 -4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.083 -2.310 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.644 -1.568 -5.765 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.559 -2.527 -3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.888 -3.661 -3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.264 -4.699 -4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.053 -3.848 -6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.599 -3.254 -5.435 1.00 0.00 H new ATOM 945 N ASP A 65 -7.534 3.272 -4.245 1.00 0.00 N ATOM 946 CA ASP A 65 -8.292 3.998 -5.258 1.00 0.00 C ATOM 947 C ASP A 65 -7.455 4.207 -6.516 1.00 0.00 C ATOM 948 O ASP A 65 -7.945 4.044 -7.634 1.00 0.00 O ATOM 949 CB ASP A 65 -8.756 5.348 -4.708 1.00 0.00 C ATOM 950 CG ASP A 65 -10.115 5.265 -4.043 1.00 0.00 C ATOM 951 OD1 ASP A 65 -10.330 4.328 -3.246 1.00 0.00 O ATOM 952 OD2 ASP A 65 -10.966 6.137 -4.320 1.00 0.00 O ATOM 0 H ASP A 65 -7.557 3.695 -3.317 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.166 3.402 -5.520 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.024 5.715 -3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.796 6.074 -5.520 1.00 0.00 H new ATOM 957 N ASP A 66 -6.192 4.571 -6.327 1.00 0.00 N ATOM 958 CA ASP A 66 -5.287 4.803 -7.447 1.00 0.00 C ATOM 959 C ASP A 66 -4.375 3.600 -7.666 1.00 0.00 C ATOM 960 O ASP A 66 -3.640 3.176 -6.774 1.00 0.00 O ATOM 961 CB ASP A 66 -4.447 6.058 -7.200 1.00 0.00 C ATOM 962 CG ASP A 66 -5.243 7.334 -7.391 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.228 7.535 -6.650 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.881 8.131 -8.282 1.00 0.00 O ATOM 0 H ASP A 66 -5.771 4.712 -5.409 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.888 4.949 -8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.048 6.031 -6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.594 6.060 -7.879 1.00 0.00 H new ATOM 969 N PRO A 67 -4.421 3.036 -8.882 1.00 0.00 N ATOM 970 CA PRO A 67 -3.606 1.874 -9.248 1.00 0.00 C ATOM 971 C PRO A 67 -2.124 2.217 -9.356 1.00 0.00 C ATOM 972 O PRO A 67 -1.306 1.369 -9.713 1.00 0.00 O ATOM 973 CB PRO A 67 -4.162 1.466 -10.614 1.00 0.00 C ATOM 974 CG PRO A 67 -4.750 2.716 -11.172 1.00 0.00 C ATOM 975 CD PRO A 67 -5.274 3.489 -9.994 1.00 0.00 C ATOM 0 HA PRO A 67 -3.661 1.085 -8.498 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.376 1.075 -11.261 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.914 0.683 -10.518 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.000 3.292 -11.714 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.550 2.490 -11.877 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.192 4.565 -10.151 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.326 3.273 -9.807 1.00 0.00 H new ATOM 983 N ASP A 68 -1.786 3.463 -9.047 1.00 0.00 N ATOM 984 CA ASP A 68 -0.402 3.918 -9.108 1.00 0.00 C ATOM 985 C ASP A 68 0.252 3.857 -7.731 1.00 0.00 C ATOM 986 O ASP A 68 1.370 3.365 -7.585 1.00 0.00 O ATOM 987 CB ASP A 68 -0.334 5.344 -9.656 1.00 0.00 C ATOM 988 CG ASP A 68 -1.447 5.638 -10.643 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.424 5.064 -11.751 1.00 0.00 O ATOM 990 OD2 ASP A 68 -2.341 6.444 -10.307 1.00 0.00 O ATOM 0 H ASP A 68 -2.452 4.177 -8.751 1.00 0.00 H new ATOM 0 HA ASP A 68 0.143 3.254 -9.779 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.390 6.051 -8.829 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.629 5.498 -10.142 1.00 0.00 H new ATOM 995 N TRP A 69 -0.453 4.363 -6.725 1.00 0.00 N ATOM 996 CA TRP A 69 0.059 4.367 -5.360 1.00 0.00 C ATOM 997 C TRP A 69 -0.989 3.846 -4.383 1.00 0.00 C ATOM 998 O TRP A 69 -2.184 4.086 -4.555 1.00 0.00 O ATOM 999 CB TRP A 69 0.490 5.779 -4.959 1.00 0.00 C ATOM 1000 CG TRP A 69 1.874 6.131 -5.416 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.288 6.321 -6.703 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.024 6.331 -4.588 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.627 6.628 -6.725 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.102 6.641 -5.441 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.249 6.282 -3.210 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.382 6.898 -4.958 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.520 6.537 -2.732 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.573 6.843 -3.604 1.00 0.00 C ATOM 0 H TRP A 69 -1.380 4.775 -6.829 1.00 0.00 H new ATOM 0 HA TRP A 69 0.924 3.705 -5.322 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.216 6.498 -5.375 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.439 5.872 -3.874 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.656 6.242 -7.575 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.178 6.816 -7.563 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.443 6.049 -2.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.196 7.133 -5.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.705 6.500 -1.669 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.555 7.039 -3.200 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.534 3.133 -3.359 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.435 2.578 -2.355 1.00 0.00 C ATOM 1021 C TRP A 70 -1.034 3.030 -0.955 1.00 0.00 C ATOM 1022 O TRP A 70 0.096 3.466 -0.735 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.437 1.050 -2.430 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.098 0.517 -3.665 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.967 1.183 -4.481 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.945 -0.793 -4.221 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.364 0.365 -5.512 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.750 -0.852 -5.375 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.205 -1.922 -3.857 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.835 -1.996 -6.165 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.291 -3.056 -4.642 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.100 -3.086 -5.786 1.00 0.00 C ATOM 0 H TRP A 70 0.452 2.926 -3.202 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.440 2.946 -2.562 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.409 0.690 -2.393 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.946 0.651 -1.553 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.294 2.202 -4.338 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.011 0.622 -6.258 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.577 -1.908 -2.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.459 -2.022 -7.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.725 -3.934 -4.369 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.144 -3.987 -6.380 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.966 2.923 -0.014 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.708 3.322 1.365 1.00 0.00 C ATOM 1045 C GLN A 71 -1.838 2.132 2.309 1.00 0.00 C ATOM 1046 O GLN A 71 -2.842 1.421 2.294 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.674 4.431 1.787 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.435 4.942 3.198 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.362 6.082 3.571 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -4.392 6.295 2.931 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -3.000 6.824 4.612 1.00 0.00 N ATOM 0 H GLN A 71 -2.906 2.564 -0.181 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.687 3.698 1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.586 5.263 1.088 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.696 4.059 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.570 4.123 3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.401 5.275 3.289 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.138 6.612 5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.584 7.606 4.909 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.814 1.920 3.131 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.834 0.815 4.071 1.00 0.00 C ATOM 1062 C GLY A 72 -0.233 1.183 5.413 1.00 0.00 C ATOM 1063 O GLY A 72 0.305 2.278 5.579 1.00 0.00 O ATOM 0 H GLY A 72 0.029 2.494 3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.862 0.484 4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.285 -0.027 3.649 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.326 0.268 6.373 1.00 0.00 N ATOM 1068 CA GLU A 73 0.211 0.505 7.707 1.00 0.00 C ATOM 1069 C GLU A 73 1.285 -0.522 8.052 1.00 0.00 C ATOM 1070 O GLU A 73 1.171 -1.697 7.700 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.909 0.457 8.748 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.508 -0.927 8.934 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.385 -1.023 10.167 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -3.422 -0.329 10.214 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -2.034 -1.793 11.085 1.00 0.00 O ATOM 0 H GLU A 73 -0.768 -0.643 6.251 1.00 0.00 H new ATOM 0 HA GLU A 73 0.664 1.496 7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.520 0.807 9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.698 1.149 8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.096 -1.185 8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.704 -1.660 9.007 1.00 0.00 H new ATOM 1082 N ILE A 74 2.327 -0.071 8.742 1.00 0.00 N ATOM 1083 CA ILE A 74 3.421 -0.951 9.135 1.00 0.00 C ATOM 1084 C ILE A 74 3.822 -0.715 10.587 1.00 0.00 C ATOM 1085 O ILE A 74 4.499 0.262 10.904 1.00 0.00 O ATOM 1086 CB ILE A 74 4.655 -0.751 8.235 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.250 -0.798 6.760 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.706 -1.809 8.535 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.361 -0.397 5.815 1.00 0.00 C ATOM 0 H ILE A 74 2.437 0.898 9.040 1.00 0.00 H new ATOM 0 HA ILE A 74 3.060 -1.973 9.022 1.00 0.00 H new ATOM 0 HB ILE A 74 5.084 0.229 8.444 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.921 -1.808 6.514 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.396 -0.138 6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.572 -1.655 7.891 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.012 -1.733 9.579 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.289 -2.799 8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.003 -0.454 4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.674 0.624 6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.208 -1.072 5.942 1.00 0.00 H new ATOM 1101 N ASN A 75 3.401 -1.619 11.466 1.00 0.00 N ATOM 1102 CA ASN A 75 3.717 -1.510 12.885 1.00 0.00 C ATOM 1103 C ASN A 75 3.080 -0.263 13.491 1.00 0.00 C ATOM 1104 O ASN A 75 3.747 0.527 14.156 1.00 0.00 O ATOM 1105 CB ASN A 75 5.233 -1.472 13.090 1.00 0.00 C ATOM 1106 CG ASN A 75 5.825 -2.855 13.279 1.00 0.00 C ATOM 1107 OD1 ASN A 75 6.180 -3.244 14.392 1.00 0.00 O ATOM 1108 ND2 ASN A 75 5.936 -3.605 12.189 1.00 0.00 N ATOM 0 H ASN A 75 2.840 -2.435 11.220 1.00 0.00 H new ATOM 0 HA ASN A 75 3.310 -2.386 13.390 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.701 -0.994 12.230 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.464 -0.859 13.961 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.328 -4.544 12.254 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.629 -3.242 11.287 1.00 0.00 H new ATOM 1115 N GLY A 76 1.782 -0.094 13.255 1.00 0.00 N ATOM 1116 CA GLY A 76 1.075 1.057 13.784 1.00 0.00 C ATOM 1117 C GLY A 76 1.463 2.346 13.086 1.00 0.00 C ATOM 1118 O GLY A 76 1.032 3.429 13.482 1.00 0.00 O ATOM 0 H GLY A 76 1.208 -0.734 12.707 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.001 0.900 13.680 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.282 1.148 14.850 1.00 0.00 H new ATOM 1122 N VAL A 77 2.281 2.230 12.044 1.00 0.00 N ATOM 1123 CA VAL A 77 2.728 3.395 11.290 1.00 0.00 C ATOM 1124 C VAL A 77 2.017 3.484 9.944 1.00 0.00 C ATOM 1125 O VAL A 77 1.646 2.467 9.357 1.00 0.00 O ATOM 1126 CB VAL A 77 4.249 3.361 11.054 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.571 2.656 9.745 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.821 4.771 11.064 1.00 0.00 C ATOM 0 H VAL A 77 2.647 1.341 11.703 1.00 0.00 H new ATOM 0 HA VAL A 77 2.481 4.273 11.887 1.00 0.00 H new ATOM 0 HB VAL A 77 4.712 2.799 11.865 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.651 2.642 9.595 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.196 1.633 9.781 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.097 3.187 8.920 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.897 4.728 10.896 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.353 5.359 10.274 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.623 5.237 12.029 1.00 0.00 H new ATOM 1138 N THR A 78 1.831 4.708 9.459 1.00 0.00 N ATOM 1139 CA THR A 78 1.165 4.930 8.182 1.00 0.00 C ATOM 1140 C THR A 78 1.999 5.827 7.275 1.00 0.00 C ATOM 1141 O THR A 78 2.716 6.709 7.747 1.00 0.00 O ATOM 1142 CB THR A 78 -0.225 5.566 8.377 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.105 6.790 9.109 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.156 4.617 9.115 1.00 0.00 C ATOM 0 H THR A 78 2.132 5.560 9.932 1.00 0.00 H new ATOM 0 HA THR A 78 1.047 3.953 7.713 1.00 0.00 H new ATOM 0 HB THR A 78 -0.647 5.771 7.393 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.992 7.189 9.227 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.131 5.088 9.241 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.269 3.698 8.540 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.737 4.384 10.094 1.00 0.00 H new ATOM 1152 N GLY A 79 1.900 5.597 5.969 1.00 0.00 N ATOM 1153 CA GLY A 79 2.651 6.394 5.017 1.00 0.00 C ATOM 1154 C GLY A 79 2.129 6.250 3.601 1.00 0.00 C ATOM 1155 O GLY A 79 0.964 5.907 3.393 1.00 0.00 O ATOM 0 H GLY A 79 1.313 4.873 5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.608 7.442 5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.699 6.097 5.046 1.00 0.00 H new ATOM 1159 N LEU A 80 2.990 6.515 2.625 1.00 0.00 N ATOM 1160 CA LEU A 80 2.608 6.415 1.220 1.00 0.00 C ATOM 1161 C LEU A 80 3.644 5.624 0.429 1.00 0.00 C ATOM 1162 O LEU A 80 4.849 5.816 0.598 1.00 0.00 O ATOM 1163 CB LEU A 80 2.445 7.811 0.615 1.00 0.00 C ATOM 1164 CG LEU A 80 1.165 8.559 0.989 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.261 10.020 0.576 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.046 7.899 0.347 1.00 0.00 C ATOM 0 H LEU A 80 3.957 6.801 2.780 1.00 0.00 H new ATOM 0 HA LEU A 80 1.656 5.888 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.298 8.418 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.486 7.722 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 80 1.045 8.516 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.341 10.537 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.105 10.487 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.406 10.084 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.948 8.445 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.066 7.910 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.125 6.868 0.693 1.00 0.00 H new ATOM 1178 N PHE A 81 3.168 4.734 -0.436 1.00 0.00 N ATOM 1179 CA PHE A 81 4.053 3.914 -1.254 1.00 0.00 C ATOM 1180 C PHE A 81 3.359 3.484 -2.543 1.00 0.00 C ATOM 1181 O PHE A 81 2.133 3.398 -2.619 1.00 0.00 O ATOM 1182 CB PHE A 81 4.510 2.681 -0.471 1.00 0.00 C ATOM 1183 CG PHE A 81 3.376 1.894 0.122 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.432 1.293 -0.693 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.256 1.757 1.496 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.387 0.568 -0.150 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.214 1.033 2.044 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.278 0.438 1.220 1.00 0.00 C ATOM 0 H PHE A 81 2.174 4.563 -0.588 1.00 0.00 H new ATOM 0 HA PHE A 81 4.925 4.514 -1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.085 2.033 -1.132 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.181 2.996 0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.513 1.391 -1.765 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.984 2.221 2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.657 0.104 -0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.131 0.932 3.116 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.463 -0.128 1.647 1.00 0.00 H new ATOM 1198 N PRO A 82 4.160 3.206 -3.582 1.00 0.00 N ATOM 1199 CA PRO A 82 3.645 2.780 -4.887 1.00 0.00 C ATOM 1200 C PRO A 82 3.050 1.377 -4.845 1.00 0.00 C ATOM 1201 O PRO A 82 3.519 0.515 -4.101 1.00 0.00 O ATOM 1202 CB PRO A 82 4.885 2.808 -5.784 1.00 0.00 C ATOM 1203 CG PRO A 82 6.032 2.622 -4.851 1.00 0.00 C ATOM 1204 CD PRO A 82 5.630 3.286 -3.563 1.00 0.00 C ATOM 0 HA PRO A 82 2.836 3.422 -5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.851 2.016 -6.532 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.962 3.752 -6.323 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.241 1.564 -4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.940 3.070 -5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.049 2.772 -2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.976 4.319 -3.518 1.00 0.00 H new ATOM 1212 N SER A 83 2.016 1.153 -5.649 1.00 0.00 N ATOM 1213 CA SER A 83 1.354 -0.145 -5.701 1.00 0.00 C ATOM 1214 C SER A 83 2.162 -1.133 -6.538 1.00 0.00 C ATOM 1215 O SER A 83 1.691 -2.224 -6.856 1.00 0.00 O ATOM 1216 CB SER A 83 -0.054 -0.001 -6.281 1.00 0.00 C ATOM 1217 OG SER A 83 -0.015 0.555 -7.584 1.00 0.00 O ATOM 0 H SER A 83 1.618 1.854 -6.274 1.00 0.00 H new ATOM 0 HA SER A 83 1.282 -0.530 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.539 -0.977 -6.313 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.656 0.633 -5.630 1.00 0.00 H new ATOM 0 HG SER A 83 -0.880 0.420 -8.023 1.00 0.00 H new ATOM 1223 N ASN A 84 3.382 -0.741 -6.891 1.00 0.00 N ATOM 1224 CA ASN A 84 4.256 -1.591 -7.691 1.00 0.00 C ATOM 1225 C ASN A 84 5.384 -2.165 -6.839 1.00 0.00 C ATOM 1226 O ASN A 84 6.130 -3.037 -7.285 1.00 0.00 O ATOM 1227 CB ASN A 84 4.840 -0.798 -8.862 1.00 0.00 C ATOM 1228 CG ASN A 84 5.008 0.674 -8.538 1.00 0.00 C ATOM 1229 OD1 ASN A 84 4.036 1.429 -8.504 1.00 0.00 O ATOM 1230 ND2 ASN A 84 6.247 1.088 -8.297 1.00 0.00 N ATOM 0 H ASN A 84 3.788 0.159 -6.636 1.00 0.00 H new ATOM 0 HA ASN A 84 3.661 -2.417 -8.081 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.807 -1.219 -9.136 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.189 -0.904 -9.730 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.423 2.067 -8.073 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.022 0.427 -8.336 1.00 0.00 H new ATOM 1237 N TYR A 85 5.502 -1.671 -5.612 1.00 0.00 N ATOM 1238 CA TYR A 85 6.540 -2.134 -4.698 1.00 0.00 C ATOM 1239 C TYR A 85 5.979 -3.148 -3.706 1.00 0.00 C ATOM 1240 O TYR A 85 6.659 -3.553 -2.763 1.00 0.00 O ATOM 1241 CB TYR A 85 7.150 -0.950 -3.945 1.00 0.00 C ATOM 1242 CG TYR A 85 8.319 -0.314 -4.663 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.141 0.348 -5.871 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.602 -0.375 -4.131 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.207 0.930 -6.530 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.673 0.205 -4.783 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.470 0.856 -5.982 1.00 0.00 C ATOM 1248 OH TYR A 85 11.534 1.436 -6.635 1.00 0.00 O ATOM 0 H TYR A 85 4.892 -0.950 -5.227 1.00 0.00 H new ATOM 0 HA TYR A 85 7.317 -2.621 -5.287 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.379 -0.196 -3.784 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.478 -1.286 -2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.153 0.409 -6.302 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.764 -0.884 -3.192 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.052 1.440 -7.469 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.664 0.149 -4.356 1.00 0.00 H new ATOM 0 HH TYR A 85 12.353 1.295 -6.116 1.00 0.00 H new ATOM 1258 N VAL A 86 4.733 -3.555 -3.926 1.00 0.00 N ATOM 1259 CA VAL A 86 4.079 -4.523 -3.053 1.00 0.00 C ATOM 1260 C VAL A 86 3.426 -5.638 -3.861 1.00 0.00 C ATOM 1261 O VAL A 86 3.048 -5.443 -5.017 1.00 0.00 O ATOM 1262 CB VAL A 86 3.012 -3.851 -2.170 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.631 -2.742 -1.332 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.875 -3.312 -3.025 1.00 0.00 C ATOM 0 H VAL A 86 4.156 -3.229 -4.701 1.00 0.00 H new ATOM 0 HA VAL A 86 4.854 -4.947 -2.414 1.00 0.00 H new ATOM 0 HB VAL A 86 2.603 -4.600 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.861 -2.279 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.407 -3.160 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.069 -1.991 -1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.130 -2.840 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.266 -2.577 -3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.413 -4.132 -3.575 1.00 0.00 H new ATOM 1274 N LYS A 87 3.296 -6.809 -3.246 1.00 0.00 N ATOM 1275 CA LYS A 87 2.686 -7.957 -3.907 1.00 0.00 C ATOM 1276 C LYS A 87 1.655 -8.622 -3.000 1.00 0.00 C ATOM 1277 O LYS A 87 1.945 -8.948 -1.850 1.00 0.00 O ATOM 1278 CB LYS A 87 3.760 -8.971 -4.305 1.00 0.00 C ATOM 1279 CG LYS A 87 3.383 -9.814 -5.511 1.00 0.00 C ATOM 1280 CD LYS A 87 2.413 -10.921 -5.136 1.00 0.00 C ATOM 1281 CE LYS A 87 3.105 -12.030 -4.359 1.00 0.00 C ATOM 1282 NZ LYS A 87 3.077 -11.781 -2.891 1.00 0.00 N ATOM 0 H LYS A 87 3.605 -6.988 -2.291 1.00 0.00 H new ATOM 0 HA LYS A 87 2.179 -7.602 -4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.688 -8.440 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.957 -9.630 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.934 -9.178 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.282 -10.249 -5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.602 -10.508 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.964 -11.334 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.620 -12.982 -4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.139 -12.116 -4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.026 -11.504 -2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.403 -11.017 -2.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.782 -12.648 -2.397 1.00 0.00 H new ATOM 1296 N MET A 88 0.451 -8.821 -3.527 1.00 0.00 N ATOM 1297 CA MET A 88 -0.621 -9.450 -2.766 1.00 0.00 C ATOM 1298 C MET A 88 -0.150 -10.760 -2.143 1.00 0.00 C ATOM 1299 O MET A 88 0.145 -11.725 -2.850 1.00 0.00 O ATOM 1300 CB MET A 88 -1.832 -9.705 -3.665 1.00 0.00 C ATOM 1301 CG MET A 88 -2.671 -8.463 -3.923 1.00 0.00 C ATOM 1302 SD MET A 88 -3.884 -8.162 -2.623 1.00 0.00 S ATOM 1303 CE MET A 88 -4.823 -6.817 -3.342 1.00 0.00 C ATOM 0 H MET A 88 0.194 -8.556 -4.478 1.00 0.00 H new ATOM 0 HA MET A 88 -0.910 -8.771 -1.964 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.488 -10.106 -4.619 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.460 -10.469 -3.206 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.014 -7.597 -4.009 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.186 -8.569 -4.878 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.860 -6.881 -3.013 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.399 -5.865 -3.022 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.783 -6.885 -4.429 1.00 0.00 H new ATOM 1313 N THR A 89 -0.082 -10.789 -0.816 1.00 0.00 N ATOM 1314 CA THR A 89 0.355 -11.980 -0.099 1.00 0.00 C ATOM 1315 C THR A 89 -0.534 -13.175 -0.425 1.00 0.00 C ATOM 1316 O THR A 89 -0.045 -14.283 -0.651 1.00 0.00 O ATOM 1317 CB THR A 89 0.350 -11.752 1.424 1.00 0.00 C ATOM 1318 OG1 THR A 89 -0.962 -11.380 1.860 1.00 0.00 O ATOM 1319 CG2 THR A 89 1.346 -10.670 1.813 1.00 0.00 C ATOM 0 H THR A 89 -0.324 -10.001 -0.216 1.00 0.00 H new ATOM 0 HA THR A 89 1.374 -12.189 -0.425 1.00 0.00 H new ATOM 0 HB THR A 89 0.642 -12.683 1.909 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.162 -10.470 1.556 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.324 -10.527 2.893 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.348 -10.971 1.507 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.080 -9.736 1.318 1.00 0.00 H new ATOM 1327 N THR A 90 -1.843 -12.944 -0.449 1.00 0.00 N ATOM 1328 CA THR A 90 -2.800 -14.002 -0.748 1.00 0.00 C ATOM 1329 C THR A 90 -2.793 -15.072 0.337 1.00 0.00 C ATOM 1330 O THR A 90 -2.888 -16.265 0.046 1.00 0.00 O ATOM 1331 CB THR A 90 -2.502 -14.662 -2.107 1.00 0.00 C ATOM 1332 OG1 THR A 90 -2.209 -13.659 -3.086 1.00 0.00 O ATOM 1333 CG2 THR A 90 -3.682 -15.501 -2.572 1.00 0.00 C ATOM 0 H THR A 90 -2.265 -12.034 -0.265 1.00 0.00 H new ATOM 0 HA THR A 90 -3.784 -13.536 -0.788 1.00 0.00 H new ATOM 0 HB THR A 90 -1.637 -15.315 -1.986 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.288 -13.346 -2.968 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.448 -15.957 -3.534 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.884 -16.283 -1.840 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.562 -14.866 -2.676 1.00 0.00 H new ATOM 1341 N ASP A 91 -2.679 -14.640 1.588 1.00 0.00 N ATOM 1342 CA ASP A 91 -2.661 -15.562 2.717 1.00 0.00 C ATOM 1343 C ASP A 91 -3.793 -15.249 3.692 1.00 0.00 C ATOM 1344 O ASP A 91 -3.595 -14.549 4.684 1.00 0.00 O ATOM 1345 CB ASP A 91 -1.315 -15.491 3.440 1.00 0.00 C ATOM 1346 CG ASP A 91 -0.260 -16.360 2.784 1.00 0.00 C ATOM 1347 OD1 ASP A 91 0.369 -15.896 1.809 1.00 0.00 O ATOM 1348 OD2 ASP A 91 -0.062 -17.503 3.246 1.00 0.00 O ATOM 0 H ASP A 91 -2.598 -13.656 1.846 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.805 -16.572 2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.970 -14.457 3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.445 -15.803 4.476 1.00 0.00 H new ATOM 1353 N SER A 92 -4.979 -15.773 3.401 1.00 0.00 N ATOM 1354 CA SER A 92 -6.144 -15.546 4.249 1.00 0.00 C ATOM 1355 C SER A 92 -6.170 -16.535 5.411 1.00 0.00 C ATOM 1356 O SER A 92 -6.381 -17.732 5.218 1.00 0.00 O ATOM 1357 CB SER A 92 -7.430 -15.670 3.430 1.00 0.00 C ATOM 1358 OG SER A 92 -7.712 -14.466 2.739 1.00 0.00 O ATOM 0 H SER A 92 -5.159 -16.358 2.585 1.00 0.00 H new ATOM 0 HA SER A 92 -6.077 -14.536 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.333 -16.488 2.717 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.262 -15.918 4.089 1.00 0.00 H new ATOM 0 HG SER A 92 -8.538 -14.571 2.222 1.00 0.00 H new ATOM 1364 N SER A 93 -5.954 -16.024 6.619 1.00 0.00 N ATOM 1365 CA SER A 93 -5.949 -16.861 7.813 1.00 0.00 C ATOM 1366 C SER A 93 -7.363 -17.032 8.362 1.00 0.00 C ATOM 1367 O SER A 93 -8.091 -16.058 8.549 1.00 0.00 O ATOM 1368 CB SER A 93 -5.044 -16.251 8.886 1.00 0.00 C ATOM 1369 OG SER A 93 -3.683 -16.310 8.497 1.00 0.00 O ATOM 0 H SER A 93 -5.780 -15.035 6.797 1.00 0.00 H new ATOM 0 HA SER A 93 -5.563 -17.842 7.537 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.331 -15.214 9.062 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.180 -16.784 9.827 1.00 0.00 H new ATOM 0 HG SER A 93 -3.125 -15.913 9.198 1.00 0.00 H new ATOM 1375 N GLY A 94 -7.744 -18.280 8.619 1.00 0.00 N ATOM 1376 CA GLY A 94 -9.068 -18.558 9.144 1.00 0.00 C ATOM 1377 C GLY A 94 -9.040 -18.961 10.605 1.00 0.00 C ATOM 1378 O GLY A 94 -9.108 -18.123 11.504 1.00 0.00 O ATOM 0 H GLY A 94 -7.159 -19.103 8.473 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.695 -17.674 9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.527 -19.355 8.559 1.00 0.00 H new ATOM 1382 N PRO A 95 -8.939 -20.275 10.858 1.00 0.00 N ATOM 1383 CA PRO A 95 -8.901 -20.817 12.219 1.00 0.00 C ATOM 1384 C PRO A 95 -7.602 -20.478 12.943 1.00 0.00 C ATOM 1385 O PRO A 95 -6.515 -20.835 12.488 1.00 0.00 O ATOM 1386 CB PRO A 95 -9.013 -22.329 12.002 1.00 0.00 C ATOM 1387 CG PRO A 95 -8.483 -22.554 10.628 1.00 0.00 C ATOM 1388 CD PRO A 95 -8.853 -21.331 9.836 1.00 0.00 C ATOM 0 HA PRO A 95 -9.691 -20.402 12.845 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -8.435 -22.879 12.744 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.046 -22.666 12.088 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -7.402 -22.696 10.645 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -8.915 -23.451 10.185 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.102 -21.099 9.081 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.800 -21.462 9.313 1.00 0.00 H new ATOM 1396 N SER A 96 -7.722 -19.787 14.072 1.00 0.00 N ATOM 1397 CA SER A 96 -6.556 -19.397 14.857 1.00 0.00 C ATOM 1398 C SER A 96 -5.956 -20.602 15.574 1.00 0.00 C ATOM 1399 O SER A 96 -6.552 -21.679 15.608 1.00 0.00 O ATOM 1400 CB SER A 96 -6.938 -18.321 15.875 1.00 0.00 C ATOM 1401 OG SER A 96 -7.979 -18.769 16.725 1.00 0.00 O ATOM 0 H SER A 96 -8.614 -19.486 14.464 1.00 0.00 H new ATOM 0 HA SER A 96 -5.808 -18.993 14.175 1.00 0.00 H new ATOM 0 HB2 SER A 96 -6.066 -18.055 16.472 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.254 -17.418 15.353 1.00 0.00 H new ATOM 0 HG SER A 96 -8.203 -18.064 17.367 1.00 0.00 H new ATOM 1407 N SER A 97 -4.772 -20.412 16.147 1.00 0.00 N ATOM 1408 CA SER A 97 -4.088 -21.484 16.862 1.00 0.00 C ATOM 1409 C SER A 97 -4.880 -21.906 18.096 1.00 0.00 C ATOM 1410 O SER A 97 -5.287 -21.071 18.901 1.00 0.00 O ATOM 1411 CB SER A 97 -2.683 -21.037 17.271 1.00 0.00 C ATOM 1412 OG SER A 97 -2.734 -20.118 18.348 1.00 0.00 O ATOM 0 H SER A 97 -4.266 -19.526 16.130 1.00 0.00 H new ATOM 0 HA SER A 97 -4.008 -22.341 16.193 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.091 -21.906 17.558 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.182 -20.577 16.419 1.00 0.00 H new ATOM 0 HG SER A 97 -1.824 -19.849 18.592 1.00 0.00 H new ATOM 1418 N GLY A 98 -5.094 -23.211 18.236 1.00 0.00 N ATOM 1419 CA GLY A 98 -5.836 -23.723 19.373 1.00 0.00 C ATOM 1420 C GLY A 98 -7.336 -23.614 19.183 1.00 0.00 C ATOM 1421 O GLY A 98 -8.020 -24.622 19.003 1.00 0.00 O ATOM 0 H GLY A 98 -4.767 -23.922 17.582 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.569 -24.767 19.537 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.546 -23.175 20.269 1.00 0.00 H new TER 1425 GLY A 98