USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 633 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 18 SER OG : rot -45:sc= -0.226 USER MOD Set 1.2: A 53 SER OG : rot -136:sc= 1.21 USER MOD Set 1.3: A 57 ASN : amide:sc= -6.8 K(o=-5.8,f=-9.1!) USER MOD Set 2.1: A 45 TYR OH : rot 102:sc= 0.493 USER MOD Set 2.2: A 47 GLN :FLIP amide:sc= -7.97! C(o=-8.9!,f=-7.5!) USER MOD Set 3.1: A 25 THR OG1 : rot 180:sc= -0.635 USER MOD Set 3.2: A 30 GLN : amide:sc= -4.24! C(o=-4.9!,f=-7.6!) USER MOD Set 4.1: A 20 THR OG1 : rot 65:sc= 0.514 USER MOD Set 4.2: A 34 GLN :FLIP amide:sc= -3.7 F(o=-5.1!,f=-3.2) USER MOD Set 5.1: A 15 ASN :FLIP amide:sc= -0.119 F(o=-3.2,f=-2.1) USER MOD Set 5.2: A 16 ASN :FLIP amide:sc= -1.93! C(o=-3.4!,f=-2.1!) USER MOD Set 6.1: A 1 ALA N :NH3+ 144:sc= 0.914 (180deg=-0.595) USER MOD Set 6.2: A 2 MET CE :methyl 169:sc= -7.13! (180deg=-7.49!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= -0.206 F(o=-1.1,f=-0.21) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0392 X(o=-0.039,f=-0.19) USER MOD Single : A 19 SER OG : rot -53:sc= 0.108 USER MOD Single : A 21 LYS NZ :NH3+ -140:sc= -1.15 (180deg=-3.69!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -173:sc= 0.0589 USER MOD Single : A 35 ASN : amide:sc= -0.988! C(o=-0.99!,f=-1.5!) USER MOD Single : A 37 GLN : amide:sc= -2.29 K(o=-2.3,f=-2.8!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -4.35 K(o=-4.4,f=-11!) USER MOD Single : A 49 GLN : amide:sc= -2.38! X(o=-2.4!,f=-2.6) USER MOD Single : A 51 ASN : amide:sc= -2.41! C(o=-2.4!,f=-5.8!) USER MOD Single : A 55 THR OG1 : rot 109:sc= 0.0286 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -2.01 F(o=-5!,f=-2) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -1.6 F(o=-3.3!,f=-1.6) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 109:sc= 0.584 USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.00864 USER MOD Single : A 81 ASN : amide:sc= -0.25 K(o=-0.25,f=-2!) USER MOD Single : A 83 ASN :FLIP amide:sc= -4.13! F(o=-4.7,f=-4.1!) USER MOD Single : A 88 LYS NZ :NH3+ 147:sc= -1.92 (180deg=-3.12!) USER MOD Single : A 89 ASN :FLIP amide:sc= -3.44! F(o=-5.8,f=-3.4!) USER MOD Single : A 90 SER OG : rot 59:sc= 0.18 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -1.51 K(o=-1.5,f=-3.1!) USER MOD Single : A 94 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.017) USER MOD Single : A 96 GLN : amide:sc= -0.0547 K(o=-0.055,f=-1.7!) USER MOD Single : A 97 ASN : amide:sc= -2.09 K(o=-2.1,f=-3.6!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.44) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.907 6.486 -8.538 1.00 0.00 N ATOM 2 CA ALA A 1 4.833 7.423 -7.387 1.00 0.00 C ATOM 3 C ALA A 1 3.528 8.211 -7.405 1.00 0.00 C ATOM 4 O ALA A 1 3.496 9.383 -7.030 1.00 0.00 O ATOM 5 CB ALA A 1 6.021 8.374 -7.408 1.00 0.00 C ATOM 0 H1 ALA A 1 5.888 6.430 -8.878 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.590 5.542 -8.238 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.294 6.829 -9.305 1.00 0.00 H new ATOM 0 HA ALA A 1 4.862 6.836 -6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.956 9.056 -6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.946 7.802 -7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.012 8.947 -8.335 1.00 0.00 H new ATOM 13 N MET A 2 2.451 7.563 -7.838 1.00 0.00 N ATOM 14 CA MET A 2 1.146 8.216 -7.900 1.00 0.00 C ATOM 15 C MET A 2 0.015 7.204 -8.036 1.00 0.00 C ATOM 16 O MET A 2 -0.407 6.872 -9.144 1.00 0.00 O ATOM 17 CB MET A 2 1.094 9.195 -9.074 1.00 0.00 C ATOM 18 CG MET A 2 1.660 8.623 -10.364 1.00 0.00 C ATOM 19 SD MET A 2 2.867 9.715 -11.139 1.00 0.00 S ATOM 20 CE MET A 2 4.027 9.923 -9.794 1.00 0.00 C ATOM 0 H MET A 2 2.454 6.592 -8.150 1.00 0.00 H new ATOM 0 HA MET A 2 1.011 8.758 -6.964 1.00 0.00 H new ATOM 0 HB2 MET A 2 0.060 9.495 -9.242 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.648 10.096 -8.811 1.00 0.00 H new ATOM 0 HG2 MET A 2 2.128 7.661 -10.155 1.00 0.00 H new ATOM 0 HG3 MET A 2 0.844 8.436 -11.062 1.00 0.00 H new ATOM 0 HE1 MET A 2 4.930 10.409 -10.164 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.576 10.539 -9.016 1.00 0.00 H new ATOM 0 HE3 MET A 2 4.283 8.948 -9.381 1.00 0.00 H new ATOM 30 N ALA A 3 -0.486 6.740 -6.901 1.00 0.00 N ATOM 31 CA ALA A 3 -1.591 5.784 -6.884 1.00 0.00 C ATOM 32 C ALA A 3 -2.332 5.830 -5.553 1.00 0.00 C ATOM 33 O ALA A 3 -2.864 4.821 -5.090 1.00 0.00 O ATOM 34 CB ALA A 3 -1.090 4.376 -7.169 1.00 0.00 C ATOM 0 H ALA A 3 -0.147 7.008 -5.977 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.291 6.065 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.929 3.681 -7.151 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.617 4.350 -8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.364 4.087 -6.409 1.00 0.00 H new ATOM 40 N CYS A 4 -2.364 7.010 -4.947 1.00 0.00 N ATOM 41 CA CYS A 4 -3.039 7.203 -3.672 1.00 0.00 C ATOM 42 C CYS A 4 -4.539 7.366 -3.875 1.00 0.00 C ATOM 43 O CYS A 4 -4.999 7.658 -4.978 1.00 0.00 O ATOM 44 CB CYS A 4 -2.481 8.441 -2.969 1.00 0.00 C ATOM 45 SG CYS A 4 -2.330 8.269 -1.163 1.00 0.00 S ATOM 0 H CYS A 4 -1.927 7.852 -5.322 1.00 0.00 H new ATOM 0 HA CYS A 4 -2.863 6.322 -3.055 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.499 8.669 -3.384 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -3.126 9.292 -3.189 1.00 0.00 H new ATOM 50 N TRP A 5 -5.296 7.194 -2.801 1.00 0.00 N ATOM 51 CA TRP A 5 -6.743 7.345 -2.860 1.00 0.00 C ATOM 52 C TRP A 5 -7.136 8.782 -2.516 1.00 0.00 C ATOM 53 O TRP A 5 -8.286 9.183 -2.695 1.00 0.00 O ATOM 54 CB TRP A 5 -7.425 6.365 -1.904 1.00 0.00 C ATOM 55 CG TRP A 5 -6.882 6.423 -0.511 1.00 0.00 C ATOM 56 CD1 TRP A 5 -6.047 5.527 0.081 1.00 0.00 C ATOM 57 CD2 TRP A 5 -7.139 7.435 0.460 1.00 0.00 C ATOM 58 NE1 TRP A 5 -5.763 5.920 1.366 1.00 0.00 N ATOM 59 CE2 TRP A 5 -6.426 7.093 1.623 1.00 0.00 C ATOM 60 CE3 TRP A 5 -7.905 8.596 0.455 1.00 0.00 C ATOM 61 CZ2 TRP A 5 -6.459 7.879 2.772 1.00 0.00 C ATOM 62 CZ3 TRP A 5 -7.940 9.377 1.593 1.00 0.00 C ATOM 63 CH2 TRP A 5 -7.220 9.016 2.738 1.00 0.00 C ATOM 0 H TRP A 5 -4.933 6.950 -1.879 1.00 0.00 H new ATOM 0 HA TRP A 5 -7.074 7.122 -3.874 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.494 6.577 -1.879 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -7.310 5.352 -2.290 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -5.663 4.635 -0.391 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.159 5.422 2.020 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -8.463 8.882 -0.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -5.905 7.602 3.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -8.532 10.280 1.600 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -7.266 9.648 3.613 1.00 0.00 H new ATOM 74 N ALA A 6 -6.164 9.555 -2.027 1.00 0.00 N ATOM 75 CA ALA A 6 -6.392 10.947 -1.665 1.00 0.00 C ATOM 76 C ALA A 6 -6.344 11.843 -2.900 1.00 0.00 C ATOM 77 O ALA A 6 -7.000 12.883 -2.950 1.00 0.00 O ATOM 78 CB ALA A 6 -5.359 11.399 -0.639 1.00 0.00 C ATOM 0 H ALA A 6 -5.208 9.234 -1.874 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.385 11.030 -1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.539 12.441 -0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.439 10.780 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.359 11.299 -1.061 1.00 0.00 H new ATOM 84 N GLN A 7 -5.562 11.431 -3.895 1.00 0.00 N ATOM 85 CA GLN A 7 -5.429 12.196 -5.131 1.00 0.00 C ATOM 86 C GLN A 7 -6.771 12.328 -5.844 1.00 0.00 C ATOM 87 O GLN A 7 -6.955 13.219 -6.673 1.00 0.00 O ATOM 88 CB GLN A 7 -4.403 11.539 -6.060 1.00 0.00 C ATOM 89 CG GLN A 7 -4.591 10.040 -6.216 1.00 0.00 C ATOM 90 CD GLN A 7 -4.840 9.628 -7.654 1.00 0.00 C ATOM 91 OE1 GLN A 7 -5.928 9.173 -8.002 1.00 0.00 O ATOM 92 NE2 GLN A 7 -3.825 9.786 -8.498 1.00 0.00 N ATOM 0 H GLN A 7 -5.012 10.573 -3.869 1.00 0.00 H new ATOM 0 HA GLN A 7 -5.082 13.195 -4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.463 12.008 -7.042 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.402 11.732 -5.675 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -3.705 9.526 -5.843 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.430 9.717 -5.599 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.940 10.168 -8.165 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -3.932 9.526 -9.478 1.00 0.00 H new ATOM 101 N SER A 8 -7.711 11.447 -5.512 1.00 0.00 N ATOM 102 CA SER A 8 -9.037 11.484 -6.120 1.00 0.00 C ATOM 103 C SER A 8 -9.653 12.873 -5.980 1.00 0.00 C ATOM 104 O SER A 8 -10.487 13.280 -6.789 1.00 0.00 O ATOM 105 CB SER A 8 -9.949 10.439 -5.474 1.00 0.00 C ATOM 106 OG SER A 8 -11.220 10.413 -6.100 1.00 0.00 O ATOM 0 H SER A 8 -7.580 10.702 -4.828 1.00 0.00 H new ATOM 0 HA SER A 8 -8.933 11.254 -7.180 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.486 9.455 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.067 10.661 -4.413 1.00 0.00 H new ATOM 0 HG SER A 8 -11.783 9.736 -5.670 1.00 0.00 H new ATOM 112 N GLN A 9 -9.228 13.598 -4.949 1.00 0.00 N ATOM 113 CA GLN A 9 -9.726 14.945 -4.698 1.00 0.00 C ATOM 114 C GLN A 9 -8.662 15.991 -5.029 1.00 0.00 C ATOM 115 O GLN A 9 -8.970 17.172 -5.189 1.00 0.00 O ATOM 116 CB GLN A 9 -10.160 15.085 -3.238 1.00 0.00 C ATOM 117 CG GLN A 9 -9.050 14.791 -2.242 1.00 0.00 C ATOM 118 CD GLN A 9 -9.341 15.349 -0.863 1.00 0.00 C ATOM 119 OE1 GLN A 9 -10.072 14.586 -0.058 1.00 0.00 O flip ATOM 120 NE2 GLN A 9 -8.914 16.453 -0.525 1.00 0.00 N flip ATOM 0 H GLN A 9 -8.537 13.273 -4.272 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.587 15.114 -5.344 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.526 16.098 -3.072 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.994 14.409 -3.049 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.907 13.713 -2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.115 15.213 -2.611 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.356 17.005 -1.176 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.118 16.815 0.406 1.00 0.00 H new ATOM 129 N GLY A 10 -7.411 15.549 -5.132 1.00 0.00 N ATOM 130 CA GLY A 10 -6.323 16.459 -5.446 1.00 0.00 C ATOM 131 C GLY A 10 -5.195 16.405 -4.428 1.00 0.00 C ATOM 132 O GLY A 10 -4.355 17.302 -4.383 1.00 0.00 O ATOM 0 H GLY A 10 -7.132 14.576 -5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.927 16.218 -6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.710 17.476 -5.498 1.00 0.00 H new ATOM 136 N TYR A 11 -5.177 15.356 -3.609 1.00 0.00 N ATOM 137 CA TYR A 11 -4.144 15.203 -2.590 1.00 0.00 C ATOM 138 C TYR A 11 -3.162 14.095 -2.960 1.00 0.00 C ATOM 139 O TYR A 11 -3.564 12.987 -3.310 1.00 0.00 O ATOM 140 CB TYR A 11 -4.778 14.879 -1.239 1.00 0.00 C ATOM 141 CG TYR A 11 -5.322 16.079 -0.508 1.00 0.00 C ATOM 142 CD1 TYR A 11 -6.033 17.068 -1.175 1.00 0.00 C ATOM 143 CD2 TYR A 11 -5.125 16.219 0.856 1.00 0.00 C ATOM 144 CE1 TYR A 11 -6.533 18.163 -0.498 1.00 0.00 C ATOM 145 CE2 TYR A 11 -5.619 17.308 1.539 1.00 0.00 C ATOM 146 CZ TYR A 11 -6.323 18.278 0.860 1.00 0.00 C ATOM 147 OH TYR A 11 -6.818 19.368 1.539 1.00 0.00 O ATOM 0 H TYR A 11 -5.864 14.602 -3.631 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.601 16.146 -2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.586 14.164 -1.392 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.035 14.390 -0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.197 16.980 -2.239 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.574 15.461 1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.085 18.924 -1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.455 17.401 2.602 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.584 19.296 2.488 1.00 0.00 H new ATOM 157 N ASN A 12 -1.873 14.393 -2.857 1.00 0.00 N ATOM 158 CA ASN A 12 -0.841 13.409 -3.160 1.00 0.00 C ATOM 159 C ASN A 12 -0.667 12.465 -1.979 1.00 0.00 C ATOM 160 O ASN A 12 -1.156 12.743 -0.884 1.00 0.00 O ATOM 161 CB ASN A 12 0.488 14.098 -3.475 1.00 0.00 C ATOM 162 CG ASN A 12 0.318 15.326 -4.348 1.00 0.00 C ATOM 163 OD1 ASN A 12 -0.485 15.333 -5.280 1.00 0.00 O ATOM 164 ND2 ASN A 12 1.080 16.371 -4.048 1.00 0.00 N ATOM 0 H ASN A 12 -1.518 15.304 -2.567 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.151 12.840 -4.036 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.974 14.385 -2.542 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.150 13.391 -3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.013 17.226 -4.600 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.732 16.319 -3.265 1.00 0.00 H new ATOM 171 N CYS A 13 0.023 11.352 -2.193 1.00 0.00 N ATOM 172 CA CYS A 13 0.235 10.393 -1.120 1.00 0.00 C ATOM 173 C CYS A 13 1.348 10.851 -0.188 1.00 0.00 C ATOM 174 O CYS A 13 2.251 11.583 -0.591 1.00 0.00 O ATOM 175 CB CYS A 13 0.556 9.009 -1.680 1.00 0.00 C ATOM 176 SG CYS A 13 -0.407 7.674 -0.904 1.00 0.00 S ATOM 0 H CYS A 13 0.440 11.094 -3.088 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.690 10.330 -0.548 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.367 9.007 -2.753 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.618 8.807 -1.543 1.00 0.00 H new ATOM 181 N CYS A 14 1.270 10.414 1.062 1.00 0.00 N ATOM 182 CA CYS A 14 2.265 10.777 2.063 1.00 0.00 C ATOM 183 C CYS A 14 3.446 9.813 2.027 1.00 0.00 C ATOM 184 O CYS A 14 3.275 8.599 2.140 1.00 0.00 O ATOM 185 CB CYS A 14 1.628 10.783 3.457 1.00 0.00 C ATOM 186 SG CYS A 14 1.707 12.391 4.315 1.00 0.00 S ATOM 0 H CYS A 14 0.527 9.807 1.408 1.00 0.00 H new ATOM 0 HA CYS A 14 2.634 11.777 1.836 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.584 10.484 3.367 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.123 10.032 4.073 1.00 0.00 H new ATOM 191 N ASN A 15 4.645 10.364 1.867 1.00 0.00 N ATOM 192 CA ASN A 15 5.860 9.563 1.814 1.00 0.00 C ATOM 193 C ASN A 15 6.093 8.859 3.148 1.00 0.00 C ATOM 194 O ASN A 15 6.410 9.500 4.146 1.00 0.00 O ATOM 195 CB ASN A 15 7.051 10.454 1.457 1.00 0.00 C ATOM 196 CG ASN A 15 8.372 9.716 1.505 1.00 0.00 C ATOM 197 OD1 ASN A 15 9.211 10.081 2.464 1.00 0.00 O flip ATOM 198 ND2 ASN A 15 8.635 8.829 0.692 1.00 0.00 N flip ATOM 0 H ASN A 15 4.800 11.368 1.771 1.00 0.00 H new ATOM 0 HA ASN A 15 5.750 8.799 1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.905 10.864 0.458 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.087 11.298 2.146 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.958 8.581 -0.030 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.530 8.342 0.740 1.00 0.00 H new ATOM 205 N ASN A 16 5.920 7.535 3.144 1.00 0.00 N ATOM 206 CA ASN A 16 6.086 6.700 4.340 1.00 0.00 C ATOM 207 C ASN A 16 4.750 6.530 5.063 1.00 0.00 C ATOM 208 O ASN A 16 4.627 6.857 6.243 1.00 0.00 O ATOM 209 CB ASN A 16 7.123 7.278 5.313 1.00 0.00 C ATOM 210 CG ASN A 16 8.407 7.702 4.630 1.00 0.00 C ATOM 211 OD1 ASN A 16 8.816 8.942 4.869 1.00 0.00 O flip ATOM 212 ND2 ASN A 16 9.022 6.927 3.898 1.00 0.00 N flip ATOM 0 H ASN A 16 5.660 7.009 2.310 1.00 0.00 H new ATOM 0 HA ASN A 16 6.448 5.730 4.000 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.691 8.137 5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.353 6.533 6.075 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.669 5.983 3.744 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.885 7.229 3.446 1.00 0.00 H new ATOM 219 N PRO A 17 3.728 6.008 4.361 1.00 0.00 N ATOM 220 CA PRO A 17 2.399 5.795 4.946 1.00 0.00 C ATOM 221 C PRO A 17 2.397 4.687 5.995 1.00 0.00 C ATOM 222 O PRO A 17 1.484 4.596 6.813 1.00 0.00 O ATOM 223 CB PRO A 17 1.541 5.394 3.744 1.00 0.00 C ATOM 224 CG PRO A 17 2.506 4.819 2.767 1.00 0.00 C ATOM 225 CD PRO A 17 3.785 5.585 2.950 1.00 0.00 C ATOM 0 HA PRO A 17 2.038 6.681 5.468 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.781 4.665 4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.019 6.254 3.325 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.659 3.755 2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.134 4.918 1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.658 4.963 2.751 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.842 6.440 2.276 1.00 0.00 H new ATOM 233 N SER A 18 3.428 3.847 5.964 1.00 0.00 N ATOM 234 CA SER A 18 3.546 2.743 6.913 1.00 0.00 C ATOM 235 C SER A 18 3.940 3.239 8.304 1.00 0.00 C ATOM 236 O SER A 18 3.983 2.461 9.257 1.00 0.00 O ATOM 237 CB SER A 18 4.574 1.728 6.414 1.00 0.00 C ATOM 238 OG SER A 18 4.750 1.827 5.011 1.00 0.00 O ATOM 0 H SER A 18 4.193 3.909 5.293 1.00 0.00 H new ATOM 0 HA SER A 18 2.570 2.265 6.989 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.527 1.895 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.250 0.720 6.673 1.00 0.00 H new ATOM 0 HG SER A 18 3.875 1.894 4.575 1.00 0.00 H new ATOM 244 N SER A 19 4.229 4.533 8.418 1.00 0.00 N ATOM 245 CA SER A 19 4.620 5.117 9.695 1.00 0.00 C ATOM 246 C SER A 19 4.086 6.538 9.816 1.00 0.00 C ATOM 247 O SER A 19 4.715 7.399 10.433 1.00 0.00 O ATOM 248 CB SER A 19 6.143 5.122 9.832 1.00 0.00 C ATOM 249 OG SER A 19 6.533 5.282 11.185 1.00 0.00 O ATOM 0 H SER A 19 4.199 5.195 7.642 1.00 0.00 H new ATOM 0 HA SER A 19 4.194 4.511 10.495 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.549 4.189 9.441 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.563 5.929 9.231 1.00 0.00 H new ATOM 0 HG SER A 19 6.098 6.077 11.559 1.00 0.00 H new ATOM 255 N THR A 20 2.928 6.781 9.213 1.00 0.00 N ATOM 256 CA THR A 20 2.316 8.093 9.240 1.00 0.00 C ATOM 257 C THR A 20 1.188 8.153 10.266 1.00 0.00 C ATOM 258 O THR A 20 0.137 7.539 10.082 1.00 0.00 O ATOM 259 CB THR A 20 1.784 8.429 7.846 1.00 0.00 C ATOM 260 OG1 THR A 20 2.837 8.825 6.991 1.00 0.00 O ATOM 261 CG2 THR A 20 0.757 9.530 7.848 1.00 0.00 C ATOM 0 H THR A 20 2.396 6.079 8.698 1.00 0.00 H new ATOM 0 HA THR A 20 3.068 8.826 9.532 1.00 0.00 H new ATOM 0 HB THR A 20 1.309 7.514 7.491 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.442 8.068 6.845 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.422 9.717 6.828 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.094 9.232 8.460 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.198 10.439 8.258 1.00 0.00 H new ATOM 269 N LYS A 21 1.404 8.912 11.334 1.00 0.00 N ATOM 270 CA LYS A 21 0.392 9.065 12.368 1.00 0.00 C ATOM 271 C LYS A 21 -0.838 9.750 11.787 1.00 0.00 C ATOM 272 O LYS A 21 -0.797 10.933 11.450 1.00 0.00 O ATOM 273 CB LYS A 21 0.942 9.876 13.542 1.00 0.00 C ATOM 274 CG LYS A 21 0.010 9.916 14.742 1.00 0.00 C ATOM 275 CD LYS A 21 -0.818 11.191 14.763 1.00 0.00 C ATOM 276 CE LYS A 21 -1.454 11.419 16.124 1.00 0.00 C ATOM 277 NZ LYS A 21 -1.975 12.806 16.270 1.00 0.00 N ATOM 0 H LYS A 21 2.267 9.428 11.505 1.00 0.00 H new ATOM 0 HA LYS A 21 0.112 8.077 12.734 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.898 9.453 13.849 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.137 10.896 13.209 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.653 9.051 14.718 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.594 9.845 15.660 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.185 12.041 14.509 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.596 11.134 14.002 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.268 10.709 16.267 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.719 11.223 16.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.772 13.154 17.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.514 13.425 15.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.003 12.809 16.111 1.00 0.00 H new ATOM 291 N VAL A 22 -1.928 9.003 11.664 1.00 0.00 N ATOM 292 CA VAL A 22 -3.150 9.535 11.120 1.00 0.00 C ATOM 293 C VAL A 22 -3.956 10.218 12.208 1.00 0.00 C ATOM 294 O VAL A 22 -4.702 9.578 12.949 1.00 0.00 O ATOM 295 CB VAL A 22 -3.990 8.417 10.471 1.00 0.00 C ATOM 296 CG1 VAL A 22 -5.365 8.928 10.077 1.00 0.00 C ATOM 297 CG2 VAL A 22 -3.259 7.846 9.265 1.00 0.00 C ATOM 0 H VAL A 22 -1.980 8.022 11.938 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.892 10.267 10.354 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.129 7.621 11.203 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.937 8.120 9.622 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.887 9.287 10.964 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.259 9.744 9.363 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.861 7.057 8.814 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.091 8.637 8.534 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.301 7.435 9.582 1.00 0.00 H new ATOM 307 N GLU A 23 -3.807 11.528 12.282 1.00 0.00 N ATOM 308 CA GLU A 23 -4.526 12.321 13.261 1.00 0.00 C ATOM 309 C GLU A 23 -5.935 12.605 12.766 1.00 0.00 C ATOM 310 O GLU A 23 -6.752 13.181 13.485 1.00 0.00 O ATOM 311 CB GLU A 23 -3.792 13.640 13.518 1.00 0.00 C ATOM 312 CG GLU A 23 -3.242 14.292 12.256 1.00 0.00 C ATOM 313 CD GLU A 23 -3.443 15.795 12.240 1.00 0.00 C ATOM 314 OE1 GLU A 23 -4.606 16.237 12.127 1.00 0.00 O ATOM 315 OE2 GLU A 23 -2.438 16.529 12.342 1.00 0.00 O ATOM 0 H GLU A 23 -3.192 12.067 11.673 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.580 11.759 14.194 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.474 14.335 14.008 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.970 13.459 14.210 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.178 14.071 12.171 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.729 13.855 11.384 1.00 0.00 H new ATOM 322 N TYR A 24 -6.213 12.209 11.525 1.00 0.00 N ATOM 323 CA TYR A 24 -7.533 12.445 10.944 1.00 0.00 C ATOM 324 C TYR A 24 -8.058 11.232 10.182 1.00 0.00 C ATOM 325 O TYR A 24 -7.331 10.608 9.413 1.00 0.00 O ATOM 326 CB TYR A 24 -7.496 13.658 10.017 1.00 0.00 C ATOM 327 CG TYR A 24 -8.858 14.262 9.759 1.00 0.00 C ATOM 328 CD1 TYR A 24 -9.236 15.453 10.364 1.00 0.00 C ATOM 329 CD2 TYR A 24 -9.765 13.640 8.910 1.00 0.00 C ATOM 330 CE1 TYR A 24 -10.481 16.007 10.132 1.00 0.00 C ATOM 331 CE2 TYR A 24 -11.011 14.188 8.671 1.00 0.00 C ATOM 332 CZ TYR A 24 -11.364 15.371 9.286 1.00 0.00 C ATOM 333 OH TYR A 24 -12.604 15.920 9.051 1.00 0.00 O ATOM 0 H TYR A 24 -5.554 11.731 10.911 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.215 12.635 11.773 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.847 14.418 10.452 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.051 13.365 9.066 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.546 15.955 11.027 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.492 12.713 8.429 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.760 16.934 10.611 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.704 13.693 8.007 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.103 15.348 8.431 1.00 0.00 H new ATOM 343 N THR A 25 -9.335 10.925 10.376 1.00 0.00 N ATOM 344 CA THR A 25 -9.961 9.808 9.683 1.00 0.00 C ATOM 345 C THR A 25 -11.471 9.987 9.609 1.00 0.00 C ATOM 346 O THR A 25 -12.168 9.923 10.621 1.00 0.00 O ATOM 347 CB THR A 25 -9.632 8.483 10.366 1.00 0.00 C ATOM 348 OG1 THR A 25 -8.251 8.400 10.666 1.00 0.00 O ATOM 349 CG2 THR A 25 -9.996 7.283 9.518 1.00 0.00 C ATOM 0 H THR A 25 -9.955 11.433 11.006 1.00 0.00 H new ATOM 0 HA THR A 25 -9.560 9.789 8.670 1.00 0.00 H new ATOM 0 HB THR A 25 -10.228 8.464 11.279 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.062 7.544 11.104 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.740 6.368 10.053 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.066 7.295 9.311 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.444 7.320 8.579 1.00 0.00 H new ATOM 357 N ASP A 26 -11.968 10.204 8.399 1.00 0.00 N ATOM 358 CA ASP A 26 -13.395 10.386 8.175 1.00 0.00 C ATOM 359 C ASP A 26 -13.907 9.339 7.184 1.00 0.00 C ATOM 360 O ASP A 26 -13.347 8.247 7.090 1.00 0.00 O ATOM 361 CB ASP A 26 -13.669 11.807 7.667 1.00 0.00 C ATOM 362 CG ASP A 26 -13.059 12.065 6.303 1.00 0.00 C ATOM 363 OD1 ASP A 26 -11.821 11.958 6.178 1.00 0.00 O ATOM 364 OD2 ASP A 26 -13.820 12.373 5.362 1.00 0.00 O ATOM 0 H ASP A 26 -11.400 10.258 7.553 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.928 10.252 9.117 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -14.746 11.970 7.616 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.271 12.528 8.381 1.00 0.00 H new ATOM 369 N ALA A 27 -14.963 9.667 6.445 1.00 0.00 N ATOM 370 CA ALA A 27 -15.520 8.736 5.470 1.00 0.00 C ATOM 371 C ALA A 27 -14.706 8.723 4.177 1.00 0.00 C ATOM 372 O ALA A 27 -15.041 8.006 3.234 1.00 0.00 O ATOM 373 CB ALA A 27 -16.973 9.079 5.180 1.00 0.00 C ATOM 0 H ALA A 27 -15.447 10.563 6.502 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.472 7.736 5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.374 8.375 4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.552 9.017 6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.035 10.091 4.780 1.00 0.00 H new ATOM 379 N SER A 28 -13.631 9.506 4.141 1.00 0.00 N ATOM 380 CA SER A 28 -12.773 9.565 2.967 1.00 0.00 C ATOM 381 C SER A 28 -11.603 8.603 3.129 1.00 0.00 C ATOM 382 O SER A 28 -11.148 7.989 2.163 1.00 0.00 O ATOM 383 CB SER A 28 -12.258 10.990 2.754 1.00 0.00 C ATOM 384 OG SER A 28 -11.105 11.239 3.540 1.00 0.00 O ATOM 0 H SER A 28 -13.336 10.106 4.911 1.00 0.00 H new ATOM 0 HA SER A 28 -13.355 9.272 2.093 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.023 11.141 1.700 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.039 11.705 3.012 1.00 0.00 H new ATOM 0 HG SER A 28 -10.863 12.186 3.474 1.00 0.00 H new ATOM 390 N GLY A 29 -11.126 8.474 4.363 1.00 0.00 N ATOM 391 CA GLY A 29 -10.021 7.580 4.641 1.00 0.00 C ATOM 392 C GLY A 29 -9.118 8.089 5.751 1.00 0.00 C ATOM 393 O GLY A 29 -9.578 8.748 6.683 1.00 0.00 O ATOM 0 H GLY A 29 -11.487 8.974 5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.412 6.601 4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.433 7.444 3.734 1.00 0.00 H new ATOM 397 N GLN A 30 -7.830 7.769 5.653 1.00 0.00 N ATOM 398 CA GLN A 30 -6.853 8.180 6.656 1.00 0.00 C ATOM 399 C GLN A 30 -5.993 9.340 6.155 1.00 0.00 C ATOM 400 O GLN A 30 -5.598 9.374 4.991 1.00 0.00 O ATOM 401 CB GLN A 30 -5.961 6.996 7.025 1.00 0.00 C ATOM 402 CG GLN A 30 -6.623 6.005 7.968 1.00 0.00 C ATOM 403 CD GLN A 30 -5.732 5.624 9.134 1.00 0.00 C ATOM 404 OE1 GLN A 30 -5.947 6.064 10.264 1.00 0.00 O ATOM 405 NE2 GLN A 30 -4.725 4.800 8.866 1.00 0.00 N ATOM 0 H GLN A 30 -7.438 7.224 4.885 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.397 8.519 7.538 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.667 6.476 6.113 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.048 7.370 7.488 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.549 6.435 8.349 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.893 5.106 7.413 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.584 4.460 7.915 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.093 4.508 9.611 1.00 0.00 H new ATOM 414 N TRP A 31 -5.698 10.285 7.047 1.00 0.00 N ATOM 415 CA TRP A 31 -4.877 11.440 6.694 1.00 0.00 C ATOM 416 C TRP A 31 -3.821 11.714 7.762 1.00 0.00 C ATOM 417 O TRP A 31 -4.055 11.502 8.952 1.00 0.00 O ATOM 418 CB TRP A 31 -5.747 12.683 6.500 1.00 0.00 C ATOM 419 CG TRP A 31 -6.930 12.456 5.613 1.00 0.00 C ATOM 420 CD1 TRP A 31 -8.132 11.920 5.970 1.00 0.00 C ATOM 421 CD2 TRP A 31 -7.024 12.763 4.217 1.00 0.00 C ATOM 422 NE1 TRP A 31 -8.971 11.874 4.883 1.00 0.00 N ATOM 423 CE2 TRP A 31 -8.312 12.388 3.793 1.00 0.00 C ATOM 424 CE3 TRP A 31 -6.142 13.319 3.287 1.00 0.00 C ATOM 425 CZ2 TRP A 31 -8.738 12.553 2.476 1.00 0.00 C ATOM 426 CZ3 TRP A 31 -6.565 13.482 1.982 1.00 0.00 C ATOM 427 CH2 TRP A 31 -7.853 13.102 1.587 1.00 0.00 C ATOM 0 H TRP A 31 -6.015 10.273 8.016 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.371 11.208 5.757 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.095 13.028 7.474 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.136 13.481 6.079 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.387 11.581 6.963 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -9.926 11.517 4.885 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.147 13.616 3.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -9.730 12.258 2.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -5.891 13.910 1.255 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -8.155 13.245 0.560 1.00 0.00 H new ATOM 438 N GLY A 32 -2.663 12.194 7.322 1.00 0.00 N ATOM 439 CA GLY A 32 -1.580 12.502 8.237 1.00 0.00 C ATOM 440 C GLY A 32 -0.670 13.586 7.693 1.00 0.00 C ATOM 441 O GLY A 32 -0.596 13.791 6.482 1.00 0.00 O ATOM 0 H GLY A 32 -2.454 12.376 6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.993 12.821 9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.997 11.600 8.426 1.00 0.00 H new ATOM 445 N VAL A 33 0.020 14.288 8.586 1.00 0.00 N ATOM 446 CA VAL A 33 0.919 15.362 8.178 1.00 0.00 C ATOM 447 C VAL A 33 2.369 14.892 8.126 1.00 0.00 C ATOM 448 O VAL A 33 3.027 14.763 9.158 1.00 0.00 O ATOM 449 CB VAL A 33 0.825 16.570 9.130 1.00 0.00 C ATOM 450 CG1 VAL A 33 1.750 17.689 8.674 1.00 0.00 C ATOM 451 CG2 VAL A 33 -0.610 17.064 9.227 1.00 0.00 C ATOM 0 H VAL A 33 -0.026 14.134 9.593 1.00 0.00 H new ATOM 0 HA VAL A 33 0.603 15.663 7.179 1.00 0.00 H new ATOM 0 HB VAL A 33 1.144 16.249 10.122 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.668 18.532 9.360 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.779 17.329 8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.467 18.009 7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.656 17.917 9.904 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.959 17.365 8.239 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.245 16.264 9.608 1.00 0.00 H new ATOM 461 N GLN A 34 2.869 14.660 6.917 1.00 0.00 N ATOM 462 CA GLN A 34 4.250 14.231 6.736 1.00 0.00 C ATOM 463 C GLN A 34 5.023 15.259 5.928 1.00 0.00 C ATOM 464 O GLN A 34 4.624 15.613 4.818 1.00 0.00 O ATOM 465 CB GLN A 34 4.320 12.880 6.030 1.00 0.00 C ATOM 466 CG GLN A 34 5.571 12.090 6.369 1.00 0.00 C ATOM 467 CD GLN A 34 5.320 10.595 6.425 1.00 0.00 C ATOM 468 OE1 GLN A 34 4.475 10.101 5.527 1.00 0.00 O flip ATOM 469 NE2 GLN A 34 5.881 9.892 7.265 1.00 0.00 N flip ATOM 0 H GLN A 34 2.340 14.762 6.051 1.00 0.00 H new ATOM 0 HA GLN A 34 4.697 14.133 7.726 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.443 12.291 6.299 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.279 13.038 4.952 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.340 12.298 5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.959 12.426 7.331 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.523 10.314 7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.704 8.888 7.290 1.00 0.00 H new ATOM 478 N ASN A 35 6.134 15.731 6.478 1.00 0.00 N ATOM 479 CA ASN A 35 6.955 16.711 5.786 1.00 0.00 C ATOM 480 C ASN A 35 6.154 17.986 5.516 1.00 0.00 C ATOM 481 O ASN A 35 6.372 18.678 4.521 1.00 0.00 O ATOM 482 CB ASN A 35 7.475 16.094 4.481 1.00 0.00 C ATOM 483 CG ASN A 35 8.215 17.078 3.600 1.00 0.00 C ATOM 484 OD1 ASN A 35 8.900 17.979 4.086 1.00 0.00 O ATOM 485 ND2 ASN A 35 8.075 16.904 2.293 1.00 0.00 N ATOM 0 H ASN A 35 6.484 15.453 7.395 1.00 0.00 H new ATOM 0 HA ASN A 35 7.805 16.986 6.411 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.138 15.263 4.721 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.634 15.681 3.924 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.546 17.532 1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.496 16.142 1.939 1.00 0.00 H new ATOM 492 N GLY A 36 5.226 18.292 6.418 1.00 0.00 N ATOM 493 CA GLY A 36 4.407 19.480 6.273 1.00 0.00 C ATOM 494 C GLY A 36 3.473 19.404 5.080 1.00 0.00 C ATOM 495 O GLY A 36 3.379 20.349 4.298 1.00 0.00 O ATOM 0 H GLY A 36 5.027 17.735 7.249 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.820 19.625 7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.053 20.352 6.169 1.00 0.00 H new ATOM 499 N GLN A 37 2.784 18.277 4.938 1.00 0.00 N ATOM 500 CA GLN A 37 1.856 18.086 3.829 1.00 0.00 C ATOM 501 C GLN A 37 0.716 17.150 4.221 1.00 0.00 C ATOM 502 O GLN A 37 0.948 16.029 4.672 1.00 0.00 O ATOM 503 CB GLN A 37 2.594 17.520 2.613 1.00 0.00 C ATOM 504 CG GLN A 37 3.660 18.451 2.056 1.00 0.00 C ATOM 505 CD GLN A 37 3.095 19.785 1.603 1.00 0.00 C ATOM 506 OE1 GLN A 37 3.657 20.840 1.895 1.00 0.00 O ATOM 507 NE2 GLN A 37 1.980 19.745 0.884 1.00 0.00 N ATOM 0 H GLN A 37 2.850 17.483 5.575 1.00 0.00 H new ATOM 0 HA GLN A 37 1.433 19.058 3.575 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.059 16.574 2.890 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.869 17.302 1.829 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.420 18.623 2.818 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.156 17.967 1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.547 18.848 0.664 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.557 20.611 0.551 1.00 0.00 H new ATOM 516 N TRP A 38 -0.516 17.616 4.039 1.00 0.00 N ATOM 517 CA TRP A 38 -1.690 16.826 4.362 1.00 0.00 C ATOM 518 C TRP A 38 -1.936 15.783 3.277 1.00 0.00 C ATOM 519 O TRP A 38 -2.608 16.055 2.281 1.00 0.00 O ATOM 520 CB TRP A 38 -2.889 17.757 4.492 1.00 0.00 C ATOM 521 CG TRP A 38 -4.009 17.233 5.336 1.00 0.00 C ATOM 522 CD1 TRP A 38 -5.330 17.437 5.102 1.00 0.00 C ATOM 523 CD2 TRP A 38 -3.927 16.449 6.539 1.00 0.00 C ATOM 524 NE1 TRP A 38 -6.087 16.822 6.065 1.00 0.00 N ATOM 525 CE2 TRP A 38 -5.251 16.208 6.961 1.00 0.00 C ATOM 526 CE3 TRP A 38 -2.877 15.920 7.299 1.00 0.00 C ATOM 527 CZ2 TRP A 38 -5.550 15.468 8.101 1.00 0.00 C ATOM 528 CZ3 TRP A 38 -3.178 15.186 8.432 1.00 0.00 C ATOM 529 CH2 TRP A 38 -4.503 14.966 8.822 1.00 0.00 C ATOM 0 H TRP A 38 -0.723 18.543 3.667 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.535 16.302 5.305 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -2.550 18.704 4.912 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.274 17.970 3.495 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.729 18.004 4.274 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -7.106 16.821 6.108 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.850 16.082 7.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.572 15.297 8.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.375 14.775 9.026 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.703 14.387 9.712 1.00 0.00 H new ATOM 540 N CYS A 39 -1.374 14.596 3.468 1.00 0.00 N ATOM 541 CA CYS A 39 -1.516 13.517 2.494 1.00 0.00 C ATOM 542 C CYS A 39 -2.274 12.332 3.084 1.00 0.00 C ATOM 543 O CYS A 39 -2.481 12.250 4.295 1.00 0.00 O ATOM 544 CB CYS A 39 -0.141 13.049 1.991 1.00 0.00 C ATOM 545 SG CYS A 39 1.290 13.759 2.872 1.00 0.00 S ATOM 0 H CYS A 39 -0.816 14.355 4.287 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.088 13.913 1.655 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.093 11.963 2.069 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.055 13.296 0.933 1.00 0.00 H new ATOM 550 N GLY A 40 -2.675 11.410 2.214 1.00 0.00 N ATOM 551 CA GLY A 40 -3.397 10.231 2.654 1.00 0.00 C ATOM 552 C GLY A 40 -2.462 9.090 2.998 1.00 0.00 C ATOM 553 O GLY A 40 -1.302 9.086 2.585 1.00 0.00 O ATOM 0 H GLY A 40 -2.512 11.459 1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.001 10.480 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.084 9.913 1.870 1.00 0.00 H new ATOM 557 N ILE A 41 -2.960 8.124 3.761 1.00 0.00 N ATOM 558 CA ILE A 41 -2.149 6.981 4.162 1.00 0.00 C ATOM 559 C ILE A 41 -2.444 5.756 3.296 1.00 0.00 C ATOM 560 O ILE A 41 -3.392 5.015 3.552 1.00 0.00 O ATOM 561 CB ILE A 41 -2.372 6.643 5.656 1.00 0.00 C ATOM 562 CG1 ILE A 41 -1.528 7.566 6.533 1.00 0.00 C ATOM 563 CG2 ILE A 41 -2.041 5.188 5.954 1.00 0.00 C ATOM 564 CD1 ILE A 41 -2.004 8.998 6.525 1.00 0.00 C ATOM 0 H ILE A 41 -3.917 8.109 4.113 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.104 7.256 4.017 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.427 6.797 5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.539 7.193 7.557 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.493 7.533 6.193 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.209 4.986 7.012 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.680 4.539 5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.997 4.995 5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.361 9.599 7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.967 9.388 5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.029 9.043 6.893 1.00 0.00 H new ATOM 576 N ASP A 42 -1.612 5.546 2.278 1.00 0.00 N ATOM 577 CA ASP A 42 -1.764 4.405 1.382 1.00 0.00 C ATOM 578 C ASP A 42 -0.502 3.554 1.395 1.00 0.00 C ATOM 579 O ASP A 42 0.465 3.849 0.691 1.00 0.00 O ATOM 580 CB ASP A 42 -2.065 4.867 -0.047 1.00 0.00 C ATOM 581 CG ASP A 42 -3.280 4.177 -0.635 1.00 0.00 C ATOM 582 OD1 ASP A 42 -3.700 3.138 -0.080 1.00 0.00 O ATOM 583 OD2 ASP A 42 -3.811 4.673 -1.649 1.00 0.00 O ATOM 0 H ASP A 42 -0.824 6.154 2.054 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.604 3.807 1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.226 5.945 -0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.199 4.672 -0.679 1.00 0.00 H new ATOM 588 N TYR A 43 -0.515 2.502 2.203 1.00 0.00 N ATOM 589 CA TYR A 43 0.634 1.609 2.312 1.00 0.00 C ATOM 590 C TYR A 43 1.021 1.032 0.951 1.00 0.00 C ATOM 591 O TYR A 43 2.147 0.571 0.763 1.00 0.00 O ATOM 592 CB TYR A 43 0.334 0.475 3.295 1.00 0.00 C ATOM 593 CG TYR A 43 -0.365 0.932 4.559 1.00 0.00 C ATOM 594 CD1 TYR A 43 -1.335 0.141 5.163 1.00 0.00 C ATOM 595 CD2 TYR A 43 -0.056 2.153 5.147 1.00 0.00 C ATOM 596 CE1 TYR A 43 -1.978 0.553 6.315 1.00 0.00 C ATOM 597 CE2 TYR A 43 -0.693 2.571 6.300 1.00 0.00 C ATOM 598 CZ TYR A 43 -1.653 1.769 6.879 1.00 0.00 C ATOM 599 OH TYR A 43 -2.290 2.181 8.027 1.00 0.00 O ATOM 0 H TYR A 43 -1.307 2.245 2.792 1.00 0.00 H new ATOM 0 HA TYR A 43 1.476 2.193 2.684 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.286 -0.271 2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.269 -0.016 3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.591 -0.812 4.725 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.694 2.785 4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.730 -0.073 6.771 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.440 3.522 6.745 1.00 0.00 H new ATOM 0 HH TYR A 43 -1.946 3.058 8.295 1.00 0.00 H new ATOM 609 N SER A 44 0.085 1.057 0.005 1.00 0.00 N ATOM 610 CA SER A 44 0.338 0.532 -1.333 1.00 0.00 C ATOM 611 C SER A 44 0.124 1.597 -2.396 1.00 0.00 C ATOM 612 O SER A 44 -0.553 1.360 -3.398 1.00 0.00 O ATOM 613 CB SER A 44 -0.563 -0.671 -1.618 1.00 0.00 C ATOM 614 OG SER A 44 -1.151 -1.167 -0.428 1.00 0.00 O ATOM 0 H SER A 44 -0.853 1.434 0.140 1.00 0.00 H new ATOM 0 HA SER A 44 1.380 0.216 -1.369 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.345 -0.384 -2.320 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.019 -1.460 -2.095 1.00 0.00 H new ATOM 0 HG SER A 44 -1.723 -1.934 -0.641 1.00 0.00 H new ATOM 620 N TYR A 45 0.720 2.763 -2.196 1.00 0.00 N ATOM 621 CA TYR A 45 0.601 3.828 -3.161 1.00 0.00 C ATOM 622 C TYR A 45 1.725 3.687 -4.177 1.00 0.00 C ATOM 623 O TYR A 45 2.901 3.728 -3.822 1.00 0.00 O ATOM 624 CB TYR A 45 0.623 5.192 -2.459 1.00 0.00 C ATOM 625 CG TYR A 45 1.890 5.974 -2.672 1.00 0.00 C ATOM 626 CD1 TYR A 45 2.758 6.223 -1.622 1.00 0.00 C ATOM 627 CD2 TYR A 45 2.223 6.448 -3.929 1.00 0.00 C ATOM 628 CE1 TYR A 45 3.925 6.925 -1.820 1.00 0.00 C ATOM 629 CE2 TYR A 45 3.383 7.149 -4.138 1.00 0.00 C ATOM 630 CZ TYR A 45 4.238 7.387 -3.082 1.00 0.00 C ATOM 631 OH TYR A 45 5.403 8.090 -3.286 1.00 0.00 O ATOM 0 H TYR A 45 1.286 2.988 -1.378 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.353 3.762 -3.685 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.220 5.784 -2.814 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.478 5.040 -1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.516 5.861 -0.634 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.558 6.263 -4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.592 7.113 -0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.626 7.513 -5.125 1.00 0.00 H new ATOM 0 HH TYR A 45 6.074 7.501 -3.691 1.00 0.00 H new ATOM 641 N GLY A 46 1.334 3.486 -5.428 1.00 0.00 N ATOM 642 CA GLY A 46 2.269 3.294 -6.528 1.00 0.00 C ATOM 643 C GLY A 46 3.675 3.804 -6.271 1.00 0.00 C ATOM 644 O GLY A 46 4.057 4.861 -6.765 1.00 0.00 O ATOM 0 H GLY A 46 0.354 3.451 -5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.321 2.230 -6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.874 3.793 -7.413 1.00 0.00 H new ATOM 648 N GLN A 47 4.445 3.039 -5.506 1.00 0.00 N ATOM 649 CA GLN A 47 5.818 3.408 -5.191 1.00 0.00 C ATOM 650 C GLN A 47 6.804 2.475 -5.891 1.00 0.00 C ATOM 651 O GLN A 47 6.405 1.494 -6.518 1.00 0.00 O ATOM 652 CB GLN A 47 6.036 3.378 -3.681 1.00 0.00 C ATOM 653 CG GLN A 47 5.425 4.572 -2.972 1.00 0.00 C ATOM 654 CD GLN A 47 6.473 5.511 -2.403 1.00 0.00 C ATOM 655 OE1 GLN A 47 7.258 6.123 -3.281 1.00 0.00 O flip ATOM 656 NE2 GLN A 47 6.573 5.683 -1.188 1.00 0.00 N flip ATOM 0 H GLN A 47 4.140 2.158 -5.092 1.00 0.00 H new ATOM 0 HA GLN A 47 5.995 4.421 -5.552 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.606 2.462 -3.275 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.106 3.347 -3.474 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.792 5.120 -3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.781 4.221 -2.166 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.947 5.191 -0.550 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.281 6.318 -0.819 1.00 0.00 H new ATOM 665 N ASN A 48 8.091 2.793 -5.790 1.00 0.00 N ATOM 666 CA ASN A 48 9.129 1.987 -6.424 1.00 0.00 C ATOM 667 C ASN A 48 9.581 0.843 -5.520 1.00 0.00 C ATOM 668 O ASN A 48 9.297 0.830 -4.322 1.00 0.00 O ATOM 669 CB ASN A 48 10.327 2.861 -6.796 1.00 0.00 C ATOM 670 CG ASN A 48 10.987 3.488 -5.583 1.00 0.00 C ATOM 671 OD1 ASN A 48 11.194 2.829 -4.564 1.00 0.00 O ATOM 672 ND2 ASN A 48 11.322 4.770 -5.688 1.00 0.00 N ATOM 0 H ASN A 48 8.440 3.602 -5.276 1.00 0.00 H new ATOM 0 HA ASN A 48 8.703 1.554 -7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.059 2.258 -7.333 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.001 3.648 -7.476 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.770 5.246 -4.905 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.132 5.278 -6.552 1.00 0.00 H new ATOM 679 N GLN A 49 10.291 -0.115 -6.111 1.00 0.00 N ATOM 680 CA GLN A 49 10.796 -1.272 -5.378 1.00 0.00 C ATOM 681 C GLN A 49 12.180 -1.011 -4.816 1.00 0.00 C ATOM 682 O GLN A 49 13.028 -1.905 -4.797 1.00 0.00 O ATOM 683 CB GLN A 49 10.854 -2.493 -6.282 1.00 0.00 C ATOM 684 CG GLN A 49 9.557 -3.252 -6.307 1.00 0.00 C ATOM 685 CD GLN A 49 9.000 -3.435 -7.706 1.00 0.00 C ATOM 686 OE1 GLN A 49 7.818 -3.190 -7.952 1.00 0.00 O ATOM 687 NE2 GLN A 49 9.849 -3.866 -8.631 1.00 0.00 N ATOM 0 H GLN A 49 10.531 -0.112 -7.102 1.00 0.00 H new ATOM 0 HA GLN A 49 10.108 -1.456 -4.553 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.108 -2.180 -7.295 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.652 -3.154 -5.944 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.707 -4.231 -5.852 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.823 -2.726 -5.697 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.820 -4.057 -8.383 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.530 -4.007 -9.590 1.00 0.00 H new ATOM 696 N GLY A 50 12.422 0.206 -4.374 1.00 0.00 N ATOM 697 CA GLY A 50 13.718 0.521 -3.846 1.00 0.00 C ATOM 698 C GLY A 50 13.793 0.325 -2.352 1.00 0.00 C ATOM 699 O GLY A 50 14.851 -0.022 -1.831 1.00 0.00 O ATOM 0 H GLY A 50 11.750 0.973 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.467 -0.106 -4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.964 1.555 -4.087 1.00 0.00 H new ATOM 703 N ASN A 51 12.655 0.534 -1.676 1.00 0.00 N ATOM 704 CA ASN A 51 12.538 0.374 -0.217 1.00 0.00 C ATOM 705 C ASN A 51 11.785 1.543 0.418 1.00 0.00 C ATOM 706 O ASN A 51 12.149 2.011 1.497 1.00 0.00 O ATOM 707 CB ASN A 51 13.905 0.229 0.458 1.00 0.00 C ATOM 708 CG ASN A 51 14.744 1.490 0.365 1.00 0.00 C ATOM 709 OD1 ASN A 51 14.287 2.519 -0.134 1.00 0.00 O ATOM 710 ND2 ASN A 51 15.980 1.416 0.846 1.00 0.00 N ATOM 0 H ASN A 51 11.785 0.820 -2.126 1.00 0.00 H new ATOM 0 HA ASN A 51 11.973 -0.544 -0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.761 -0.030 1.507 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.447 -0.597 -0.003 1.00 0.00 H new ATOM 0 HD21 ASN A 51 16.591 2.232 0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 51 16.318 0.543 1.251 1.00 0.00 H new ATOM 717 N GLU A 52 10.729 2.006 -0.243 1.00 0.00 N ATOM 718 CA GLU A 52 9.933 3.110 0.282 1.00 0.00 C ATOM 719 C GLU A 52 9.095 2.641 1.466 1.00 0.00 C ATOM 720 O GLU A 52 8.925 3.360 2.450 1.00 0.00 O ATOM 721 CB GLU A 52 9.029 3.686 -0.812 1.00 0.00 C ATOM 722 CG GLU A 52 9.575 4.956 -1.444 1.00 0.00 C ATOM 723 CD GLU A 52 10.059 4.739 -2.864 1.00 0.00 C ATOM 724 OE1 GLU A 52 9.215 4.482 -3.747 1.00 0.00 O ATOM 725 OE2 GLU A 52 11.284 4.828 -3.092 1.00 0.00 O ATOM 0 H GLU A 52 10.406 1.637 -1.137 1.00 0.00 H new ATOM 0 HA GLU A 52 10.610 3.894 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.888 2.935 -1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.047 3.894 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.799 5.721 -1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.398 5.335 -0.837 1.00 0.00 H new ATOM 732 N SER A 53 8.582 1.421 1.360 1.00 0.00 N ATOM 733 CA SER A 53 7.766 0.827 2.412 1.00 0.00 C ATOM 734 C SER A 53 7.734 -0.688 2.255 1.00 0.00 C ATOM 735 O SER A 53 7.986 -1.207 1.168 1.00 0.00 O ATOM 736 CB SER A 53 6.345 1.391 2.370 1.00 0.00 C ATOM 737 OG SER A 53 6.240 2.568 3.152 1.00 0.00 O ATOM 0 H SER A 53 8.719 0.819 0.548 1.00 0.00 H new ATOM 0 HA SER A 53 8.208 1.074 3.377 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.068 1.610 1.339 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.642 0.643 2.737 1.00 0.00 H new ATOM 0 HG SER A 53 5.421 2.532 3.688 1.00 0.00 H new ATOM 743 N CYS A 54 7.426 -1.402 3.334 1.00 0.00 N ATOM 744 CA CYS A 54 7.372 -2.859 3.273 1.00 0.00 C ATOM 745 C CYS A 54 5.938 -3.368 3.332 1.00 0.00 C ATOM 746 O CYS A 54 5.029 -2.656 3.755 1.00 0.00 O ATOM 747 CB CYS A 54 8.211 -3.504 4.386 1.00 0.00 C ATOM 748 SG CYS A 54 8.334 -2.542 5.933 1.00 0.00 S ATOM 0 H CYS A 54 7.213 -1.003 4.248 1.00 0.00 H new ATOM 0 HA CYS A 54 7.799 -3.150 2.313 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.786 -4.480 4.618 1.00 0.00 H new ATOM 0 HB3 CYS A 54 9.217 -3.677 4.005 1.00 0.00 H new ATOM 753 N THR A 55 5.750 -4.610 2.899 1.00 0.00 N ATOM 754 CA THR A 55 4.436 -5.232 2.893 1.00 0.00 C ATOM 755 C THR A 55 4.100 -5.750 4.283 1.00 0.00 C ATOM 756 O THR A 55 4.993 -6.078 5.064 1.00 0.00 O ATOM 757 CB THR A 55 4.406 -6.377 1.869 1.00 0.00 C ATOM 758 OG1 THR A 55 4.351 -5.863 0.551 1.00 0.00 O ATOM 759 CG2 THR A 55 3.241 -7.335 2.034 1.00 0.00 C ATOM 0 H THR A 55 6.498 -5.207 2.546 1.00 0.00 H new ATOM 0 HA THR A 55 3.689 -4.491 2.610 1.00 0.00 H new ATOM 0 HB THR A 55 5.325 -6.934 2.051 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.210 -6.014 0.105 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.297 -8.111 1.271 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.284 -7.793 3.022 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.303 -6.789 1.928 1.00 0.00 H new ATOM 767 N GLY A 56 2.815 -5.823 4.588 1.00 0.00 N ATOM 768 CA GLY A 56 2.402 -6.308 5.885 1.00 0.00 C ATOM 769 C GLY A 56 2.367 -5.216 6.933 1.00 0.00 C ATOM 770 O GLY A 56 2.073 -5.478 8.097 1.00 0.00 O ATOM 0 H GLY A 56 2.054 -5.556 3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.413 -6.758 5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.084 -7.095 6.208 1.00 0.00 H new ATOM 774 N ASN A 57 2.661 -3.985 6.521 1.00 0.00 N ATOM 775 CA ASN A 57 2.658 -2.853 7.439 1.00 0.00 C ATOM 776 C ASN A 57 1.237 -2.355 7.695 1.00 0.00 C ATOM 777 O ASN A 57 1.037 -1.374 8.412 1.00 0.00 O ATOM 778 CB ASN A 57 3.510 -1.715 6.874 1.00 0.00 C ATOM 779 CG ASN A 57 2.999 -1.227 5.533 1.00 0.00 C ATOM 780 OD1 ASN A 57 1.830 -1.415 5.196 1.00 0.00 O ATOM 781 ND2 ASN A 57 3.874 -0.598 4.759 1.00 0.00 N ATOM 0 H ASN A 57 2.904 -3.748 5.559 1.00 0.00 H new ATOM 0 HA ASN A 57 3.081 -3.187 8.386 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.519 -0.885 7.581 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.540 -2.054 6.767 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.587 -0.248 3.845 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.833 -0.464 5.078 1.00 0.00 H new ATOM 788 N GLY A 58 0.251 -3.037 7.115 1.00 0.00 N ATOM 789 CA GLY A 58 -1.128 -2.645 7.308 1.00 0.00 C ATOM 790 C GLY A 58 -1.718 -3.229 8.575 1.00 0.00 C ATOM 791 O GLY A 58 -2.793 -2.818 9.012 1.00 0.00 O ATOM 0 H GLY A 58 0.386 -3.852 6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.193 -1.558 7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.719 -2.969 6.451 1.00 0.00 H new ATOM 795 N SER A 59 -1.015 -4.190 9.171 1.00 0.00 N ATOM 796 CA SER A 59 -1.487 -4.823 10.394 1.00 0.00 C ATOM 797 C SER A 59 -0.350 -5.512 11.149 1.00 0.00 C ATOM 798 O SER A 59 -0.283 -5.445 12.377 1.00 0.00 O ATOM 799 CB SER A 59 -2.587 -5.837 10.076 1.00 0.00 C ATOM 800 OG SER A 59 -2.865 -6.658 11.197 1.00 0.00 O ATOM 0 H SER A 59 -0.122 -4.544 8.827 1.00 0.00 H new ATOM 0 HA SER A 59 -1.890 -4.039 11.035 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.493 -5.312 9.773 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.281 -6.458 9.234 1.00 0.00 H new ATOM 0 HG SER A 59 -3.573 -7.296 10.968 1.00 0.00 H new ATOM 806 N TYR A 60 0.534 -6.182 10.416 1.00 0.00 N ATOM 807 CA TYR A 60 1.655 -6.892 11.031 1.00 0.00 C ATOM 808 C TYR A 60 2.973 -6.145 10.823 1.00 0.00 C ATOM 809 O TYR A 60 3.009 -5.089 10.194 1.00 0.00 O ATOM 810 CB TYR A 60 1.770 -8.316 10.468 1.00 0.00 C ATOM 811 CG TYR A 60 0.574 -8.766 9.656 1.00 0.00 C ATOM 812 CD1 TYR A 60 -0.424 -9.544 10.226 1.00 0.00 C ATOM 813 CD2 TYR A 60 0.450 -8.414 8.319 1.00 0.00 C ATOM 814 CE1 TYR A 60 -1.515 -9.959 9.485 1.00 0.00 C ATOM 815 CE2 TYR A 60 -0.638 -8.823 7.572 1.00 0.00 C ATOM 816 CZ TYR A 60 -1.618 -9.595 8.159 1.00 0.00 C ATOM 817 OH TYR A 60 -2.702 -10.005 7.419 1.00 0.00 O ATOM 0 H TYR A 60 0.498 -6.249 9.399 1.00 0.00 H new ATOM 0 HA TYR A 60 1.457 -6.946 12.102 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.661 -8.376 9.843 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.914 -9.010 11.296 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.347 -9.830 11.265 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.216 -7.811 7.855 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.283 -10.565 9.943 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.720 -8.539 6.533 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.622 -9.662 6.504 1.00 0.00 H new ATOM 827 N PRO A 61 4.079 -6.686 11.364 1.00 0.00 N ATOM 828 CA PRO A 61 5.404 -6.084 11.252 1.00 0.00 C ATOM 829 C PRO A 61 6.200 -6.637 10.074 1.00 0.00 C ATOM 830 O PRO A 61 6.060 -7.807 9.723 1.00 0.00 O ATOM 831 CB PRO A 61 6.044 -6.531 12.558 1.00 0.00 C ATOM 832 CG PRO A 61 5.525 -7.919 12.747 1.00 0.00 C ATOM 833 CD PRO A 61 4.133 -7.934 12.153 1.00 0.00 C ATOM 0 HA PRO A 61 5.369 -5.007 11.088 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.132 -6.515 12.497 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.761 -5.881 13.386 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.168 -8.646 12.251 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.500 -8.185 13.804 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.974 -8.812 11.527 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.367 -7.952 12.928 1.00 0.00 H new ATOM 841 N CYS A 62 7.054 -5.808 9.485 1.00 0.00 N ATOM 842 CA CYS A 62 7.883 -6.247 8.369 1.00 0.00 C ATOM 843 C CYS A 62 8.918 -7.251 8.878 1.00 0.00 C ATOM 844 O CYS A 62 8.929 -7.574 10.067 1.00 0.00 O ATOM 845 CB CYS A 62 8.548 -5.041 7.696 1.00 0.00 C ATOM 846 SG CYS A 62 7.378 -3.692 7.310 1.00 0.00 S ATOM 0 H CYS A 62 7.190 -4.835 9.759 1.00 0.00 H new ATOM 0 HA CYS A 62 7.265 -6.739 7.618 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.332 -4.657 8.348 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.031 -5.368 6.775 1.00 0.00 H new ATOM 851 N CYS A 63 9.774 -7.765 7.997 1.00 0.00 N ATOM 852 CA CYS A 63 10.772 -8.748 8.417 1.00 0.00 C ATOM 853 C CYS A 63 12.191 -8.235 8.209 1.00 0.00 C ATOM 854 O CYS A 63 12.934 -8.047 9.171 1.00 0.00 O ATOM 855 CB CYS A 63 10.604 -10.083 7.677 1.00 0.00 C ATOM 856 SG CYS A 63 9.993 -9.945 5.976 1.00 0.00 S ATOM 0 H CYS A 63 9.798 -7.524 7.006 1.00 0.00 H new ATOM 0 HA CYS A 63 10.608 -8.912 9.482 1.00 0.00 H new ATOM 0 HB2 CYS A 63 11.566 -10.596 7.661 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.917 -10.711 8.244 1.00 0.00 H new ATOM 861 N ASN A 64 12.545 -8.035 6.934 1.00 0.00 N ATOM 862 CA ASN A 64 13.873 -7.557 6.507 1.00 0.00 C ATOM 863 C ASN A 64 14.547 -8.576 5.589 1.00 0.00 C ATOM 864 O ASN A 64 15.774 -8.657 5.531 1.00 0.00 O ATOM 865 CB ASN A 64 14.799 -7.231 7.694 1.00 0.00 C ATOM 866 CG ASN A 64 15.466 -8.452 8.319 1.00 0.00 C ATOM 867 OD1 ASN A 64 14.849 -9.624 8.185 1.00 0.00 O flip ATOM 868 ND2 ASN A 64 16.533 -8.340 8.920 1.00 0.00 N flip ATOM 0 H ASN A 64 11.909 -8.202 6.154 1.00 0.00 H new ATOM 0 HA ASN A 64 13.704 -6.629 5.960 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.572 -6.540 7.358 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.221 -6.714 8.460 1.00 0.00 H new ATOM 0 HD21 ASN A 64 16.978 -7.426 9.003 1.00 0.00 H new ATOM 0 HD22 ASN A 64 16.973 -9.161 9.335 1.00 0.00 H new ATOM 875 N THR A 65 13.736 -9.350 4.873 1.00 0.00 N ATOM 876 CA THR A 65 14.253 -10.362 3.961 1.00 0.00 C ATOM 877 C THR A 65 13.469 -10.365 2.654 1.00 0.00 C ATOM 878 O THR A 65 12.267 -10.094 2.641 1.00 0.00 O ATOM 879 CB THR A 65 14.177 -11.743 4.615 1.00 0.00 C ATOM 880 OG1 THR A 65 14.826 -12.714 3.813 1.00 0.00 O ATOM 881 CG2 THR A 65 12.758 -12.218 4.853 1.00 0.00 C ATOM 0 H THR A 65 12.718 -9.295 4.908 1.00 0.00 H new ATOM 0 HA THR A 65 15.293 -10.124 3.739 1.00 0.00 H new ATOM 0 HB THR A 65 14.672 -11.632 5.580 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.768 -13.590 4.249 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.777 -13.203 5.319 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.245 -11.516 5.510 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.230 -12.277 3.901 1.00 0.00 H new ATOM 889 N CYS A 66 14.149 -10.684 1.557 1.00 0.00 N ATOM 890 CA CYS A 66 13.500 -10.733 0.252 1.00 0.00 C ATOM 891 C CYS A 66 13.100 -12.164 -0.088 1.00 0.00 C ATOM 892 O CYS A 66 13.112 -12.568 -1.251 1.00 0.00 O ATOM 893 CB CYS A 66 14.422 -10.170 -0.833 1.00 0.00 C ATOM 894 SG CYS A 66 15.070 -8.507 -0.471 1.00 0.00 S ATOM 0 H CYS A 66 15.143 -10.911 1.545 1.00 0.00 H new ATOM 0 HA CYS A 66 12.601 -10.118 0.294 1.00 0.00 H new ATOM 0 HB2 CYS A 66 15.261 -10.852 -0.972 1.00 0.00 H new ATOM 0 HB3 CYS A 66 13.877 -10.138 -1.777 1.00 0.00 H new ATOM 899 N GLN A 67 12.743 -12.922 0.942 1.00 0.00 N ATOM 900 CA GLN A 67 12.330 -14.308 0.779 1.00 0.00 C ATOM 901 C GLN A 67 10.867 -14.460 1.187 1.00 0.00 C ATOM 902 O GLN A 67 10.556 -14.687 2.354 1.00 0.00 O ATOM 903 CB GLN A 67 13.250 -15.223 1.609 1.00 0.00 C ATOM 904 CG GLN A 67 12.583 -16.469 2.184 1.00 0.00 C ATOM 905 CD GLN A 67 12.422 -16.401 3.694 1.00 0.00 C ATOM 906 OE1 GLN A 67 12.145 -15.207 4.213 1.00 0.00 O flip ATOM 907 NE2 GLN A 67 12.544 -17.411 4.386 1.00 0.00 N flip ATOM 0 H GLN A 67 12.732 -12.594 1.908 1.00 0.00 H new ATOM 0 HA GLN A 67 12.418 -14.603 -0.267 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.086 -15.535 0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.667 -14.642 2.431 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.604 -16.598 1.723 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.175 -17.346 1.924 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.757 -18.307 3.947 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.432 -17.352 5.398 1.00 0.00 H new ATOM 916 N ALA A 68 9.976 -14.322 0.215 1.00 0.00 N ATOM 917 CA ALA A 68 8.549 -14.431 0.462 1.00 0.00 C ATOM 918 C ALA A 68 8.079 -15.867 0.329 1.00 0.00 C ATOM 919 O ALA A 68 7.701 -16.319 -0.751 1.00 0.00 O ATOM 920 CB ALA A 68 7.779 -13.535 -0.485 1.00 0.00 C ATOM 0 H ALA A 68 10.221 -14.133 -0.757 1.00 0.00 H new ATOM 0 HA ALA A 68 8.359 -14.107 1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.711 -13.628 -0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.086 -12.500 -0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.984 -13.831 -1.514 1.00 0.00 H new ATOM 926 N THR A 69 8.111 -16.570 1.442 1.00 0.00 N ATOM 927 CA THR A 69 7.695 -17.966 1.483 1.00 0.00 C ATOM 928 C THR A 69 6.236 -18.119 1.055 1.00 0.00 C ATOM 929 O THR A 69 5.823 -19.193 0.620 1.00 0.00 O ATOM 930 CB THR A 69 7.897 -18.539 2.890 1.00 0.00 C ATOM 931 OG1 THR A 69 6.961 -19.570 3.161 1.00 0.00 O ATOM 932 CG2 THR A 69 7.767 -17.499 3.978 1.00 0.00 C ATOM 0 H THR A 69 8.423 -16.198 2.339 1.00 0.00 H new ATOM 0 HA THR A 69 8.314 -18.524 0.780 1.00 0.00 H new ATOM 0 HB THR A 69 8.915 -18.928 2.898 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.112 -19.920 4.064 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.921 -17.968 4.950 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.515 -16.721 3.828 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.771 -17.057 3.942 1.00 0.00 H new ATOM 940 N TYR A 70 5.455 -17.045 1.177 1.00 0.00 N ATOM 941 CA TYR A 70 4.050 -17.092 0.795 1.00 0.00 C ATOM 942 C TYR A 70 3.557 -15.721 0.347 1.00 0.00 C ATOM 943 O TYR A 70 3.903 -14.704 0.940 1.00 0.00 O ATOM 944 CB TYR A 70 3.203 -17.623 1.964 1.00 0.00 C ATOM 945 CG TYR A 70 2.582 -16.551 2.840 1.00 0.00 C ATOM 946 CD1 TYR A 70 3.033 -16.339 4.137 1.00 0.00 C ATOM 947 CD2 TYR A 70 1.537 -15.762 2.372 1.00 0.00 C ATOM 948 CE1 TYR A 70 2.460 -15.371 4.942 1.00 0.00 C ATOM 949 CE2 TYR A 70 0.963 -14.792 3.169 1.00 0.00 C ATOM 950 CZ TYR A 70 1.426 -14.601 4.453 1.00 0.00 C ATOM 951 OH TYR A 70 0.854 -13.637 5.252 1.00 0.00 O ATOM 0 H TYR A 70 5.770 -16.143 1.534 1.00 0.00 H new ATOM 0 HA TYR A 70 3.945 -17.772 -0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.407 -18.250 1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.829 -18.263 2.586 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.844 -16.939 4.523 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.168 -15.911 1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.821 -15.219 5.949 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.155 -14.185 2.788 1.00 0.00 H new ATOM 0 HH TYR A 70 1.109 -12.749 4.927 1.00 0.00 H new ATOM 961 N THR A 71 2.731 -15.707 -0.692 1.00 0.00 N ATOM 962 CA THR A 71 2.174 -14.464 -1.211 1.00 0.00 C ATOM 963 C THR A 71 0.655 -14.491 -1.130 1.00 0.00 C ATOM 964 O THR A 71 0.025 -15.513 -1.403 1.00 0.00 O ATOM 965 CB THR A 71 2.618 -14.233 -2.656 1.00 0.00 C ATOM 966 OG1 THR A 71 4.027 -14.117 -2.735 1.00 0.00 O ATOM 967 CG2 THR A 71 2.019 -12.985 -3.272 1.00 0.00 C ATOM 0 H THR A 71 2.432 -16.544 -1.192 1.00 0.00 H new ATOM 0 HA THR A 71 2.546 -13.642 -0.599 1.00 0.00 H new ATOM 0 HB THR A 71 2.262 -15.101 -3.211 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.291 -13.971 -3.667 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.374 -12.879 -4.297 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.932 -13.064 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.320 -12.113 -2.692 1.00 0.00 H new ATOM 975 N ASP A 72 0.070 -13.363 -0.750 1.00 0.00 N ATOM 976 CA ASP A 72 -1.376 -13.260 -0.631 1.00 0.00 C ATOM 977 C ASP A 72 -1.917 -12.140 -1.510 1.00 0.00 C ATOM 978 O ASP A 72 -1.215 -11.623 -2.380 1.00 0.00 O ATOM 979 CB ASP A 72 -1.774 -13.026 0.829 1.00 0.00 C ATOM 980 CG ASP A 72 -2.859 -13.979 1.292 1.00 0.00 C ATOM 981 OD1 ASP A 72 -3.871 -13.502 1.845 1.00 0.00 O ATOM 982 OD2 ASP A 72 -2.694 -15.203 1.101 1.00 0.00 O ATOM 0 H ASP A 72 0.575 -12.507 -0.519 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.812 -14.200 -0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.896 -13.142 1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.121 -11.999 0.948 1.00 0.00 H new ATOM 987 N GLY A 73 -3.172 -11.771 -1.279 1.00 0.00 N ATOM 988 CA GLY A 73 -3.792 -10.718 -2.057 1.00 0.00 C ATOM 989 C GLY A 73 -3.259 -9.334 -1.724 1.00 0.00 C ATOM 990 O GLY A 73 -3.731 -8.340 -2.276 1.00 0.00 O ATOM 0 H GLY A 73 -3.771 -12.184 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.633 -10.916 -3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.869 -10.736 -1.888 1.00 0.00 H new ATOM 994 N ASP A 74 -2.276 -9.256 -0.827 1.00 0.00 N ATOM 995 CA ASP A 74 -1.700 -7.971 -0.449 1.00 0.00 C ATOM 996 C ASP A 74 -0.211 -7.916 -0.782 1.00 0.00 C ATOM 997 O ASP A 74 0.480 -6.966 -0.415 1.00 0.00 O ATOM 998 CB ASP A 74 -1.916 -7.711 1.043 1.00 0.00 C ATOM 999 CG ASP A 74 -3.056 -6.746 1.302 1.00 0.00 C ATOM 1000 OD1 ASP A 74 -3.920 -7.061 2.148 1.00 0.00 O ATOM 1001 OD2 ASP A 74 -3.086 -5.675 0.659 1.00 0.00 O ATOM 0 H ASP A 74 -1.867 -10.061 -0.354 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.205 -7.194 -1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.121 -8.655 1.548 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.999 -7.311 1.476 1.00 0.00 H new ATOM 1006 N GLY A 75 0.280 -8.940 -1.477 1.00 0.00 N ATOM 1007 CA GLY A 75 1.681 -8.984 -1.841 1.00 0.00 C ATOM 1008 C GLY A 75 2.354 -10.253 -1.367 1.00 0.00 C ATOM 1009 O GLY A 75 1.694 -11.271 -1.154 1.00 0.00 O ATOM 0 H GLY A 75 -0.270 -9.739 -1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.776 -8.907 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.193 -8.122 -1.414 1.00 0.00 H new ATOM 1013 N ASP A 76 3.666 -10.193 -1.194 1.00 0.00 N ATOM 1014 CA ASP A 76 4.426 -11.350 -0.734 1.00 0.00 C ATOM 1015 C ASP A 76 4.566 -11.320 0.785 1.00 0.00 C ATOM 1016 O ASP A 76 4.355 -10.283 1.414 1.00 0.00 O ATOM 1017 CB ASP A 76 5.806 -11.397 -1.405 1.00 0.00 C ATOM 1018 CG ASP A 76 5.914 -10.484 -2.613 1.00 0.00 C ATOM 1019 OD1 ASP A 76 5.777 -9.254 -2.442 1.00 0.00 O ATOM 1020 OD2 ASP A 76 6.136 -10.999 -3.729 1.00 0.00 O ATOM 0 H ASP A 76 4.227 -9.358 -1.364 1.00 0.00 H new ATOM 0 HA ASP A 76 3.884 -12.253 -1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.567 -11.117 -0.677 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.019 -12.421 -1.711 1.00 0.00 H new ATOM 1025 N TRP A 77 4.900 -12.464 1.374 1.00 0.00 N ATOM 1026 CA TRP A 77 5.038 -12.559 2.824 1.00 0.00 C ATOM 1027 C TRP A 77 6.095 -13.578 3.233 1.00 0.00 C ATOM 1028 O TRP A 77 6.348 -14.553 2.523 1.00 0.00 O ATOM 1029 CB TRP A 77 3.693 -12.935 3.446 1.00 0.00 C ATOM 1030 CG TRP A 77 2.566 -12.054 3.000 1.00 0.00 C ATOM 1031 CD1 TRP A 77 1.835 -12.170 1.851 1.00 0.00 C ATOM 1032 CD2 TRP A 77 2.043 -10.919 3.696 1.00 0.00 C ATOM 1033 NE1 TRP A 77 0.890 -11.176 1.792 1.00 0.00 N ATOM 1034 CE2 TRP A 77 0.998 -10.396 2.912 1.00 0.00 C ATOM 1035 CE3 TRP A 77 2.354 -10.293 4.905 1.00 0.00 C ATOM 1036 CZ2 TRP A 77 0.266 -9.280 3.297 1.00 0.00 C ATOM 1037 CZ3 TRP A 77 1.625 -9.184 5.287 1.00 0.00 C ATOM 1038 CH2 TRP A 77 0.591 -8.688 4.485 1.00 0.00 C ATOM 0 H TRP A 77 5.079 -13.334 0.873 1.00 0.00 H new ATOM 0 HA TRP A 77 5.360 -11.584 3.189 1.00 0.00 H new ATOM 0 HB2 TRP A 77 3.459 -13.969 3.191 1.00 0.00 H new ATOM 0 HB3 TRP A 77 3.776 -12.885 4.532 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.980 -12.932 1.100 1.00 0.00 H new ATOM 0 HE1 TRP A 77 0.217 -11.041 1.037 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.150 -10.669 5.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.532 -8.894 2.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.857 -8.692 6.220 1.00 0.00 H new ATOM 0 HH2 TRP A 77 0.038 -7.819 4.812 1.00 0.00 H new ATOM 1049 N ALA A 78 6.702 -13.341 4.392 1.00 0.00 N ATOM 1050 CA ALA A 78 7.728 -14.226 4.921 1.00 0.00 C ATOM 1051 C ALA A 78 7.651 -14.314 6.441 1.00 0.00 C ATOM 1052 O ALA A 78 7.313 -13.340 7.114 1.00 0.00 O ATOM 1053 CB ALA A 78 9.106 -13.752 4.495 1.00 0.00 C ATOM 0 H ALA A 78 6.497 -12.537 4.985 1.00 0.00 H new ATOM 0 HA ALA A 78 7.553 -15.222 4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.863 -14.424 4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.169 -13.747 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 78 9.277 -12.744 4.873 1.00 0.00 H new ATOM 1059 N PHE A 79 7.976 -15.486 6.976 1.00 0.00 N ATOM 1060 CA PHE A 79 7.954 -15.699 8.417 1.00 0.00 C ATOM 1061 C PHE A 79 9.335 -15.444 9.012 1.00 0.00 C ATOM 1062 O PHE A 79 10.255 -16.242 8.831 1.00 0.00 O ATOM 1063 CB PHE A 79 7.500 -17.125 8.740 1.00 0.00 C ATOM 1064 CG PHE A 79 7.133 -17.327 10.182 1.00 0.00 C ATOM 1065 CD1 PHE A 79 7.660 -18.388 10.901 1.00 0.00 C ATOM 1066 CD2 PHE A 79 6.264 -16.456 10.819 1.00 0.00 C ATOM 1067 CE1 PHE A 79 7.327 -18.576 12.229 1.00 0.00 C ATOM 1068 CE2 PHE A 79 5.927 -16.640 12.146 1.00 0.00 C ATOM 1069 CZ PHE A 79 6.458 -17.701 12.853 1.00 0.00 C ATOM 0 H PHE A 79 8.258 -16.302 6.433 1.00 0.00 H new ATOM 0 HA PHE A 79 7.246 -14.997 8.858 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.641 -17.374 8.117 1.00 0.00 H new ATOM 0 HB3 PHE A 79 8.297 -17.820 8.476 1.00 0.00 H new ATOM 0 HD1 PHE A 79 8.339 -19.076 10.418 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.845 -15.624 10.272 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.746 -19.406 12.779 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.248 -15.954 12.631 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.195 -17.846 13.890 1.00 0.00 H new ATOM 1079 N GLU A 80 9.475 -14.326 9.715 1.00 0.00 N ATOM 1080 CA GLU A 80 10.750 -13.967 10.326 1.00 0.00 C ATOM 1081 C GLU A 80 10.548 -13.423 11.736 1.00 0.00 C ATOM 1082 O GLU A 80 9.507 -12.845 12.046 1.00 0.00 O ATOM 1083 CB GLU A 80 11.471 -12.929 9.462 1.00 0.00 C ATOM 1084 CG GLU A 80 12.805 -12.480 10.033 1.00 0.00 C ATOM 1085 CD GLU A 80 13.763 -13.634 10.253 1.00 0.00 C ATOM 1086 OE1 GLU A 80 14.646 -13.514 11.128 1.00 0.00 O ATOM 1087 OE2 GLU A 80 13.630 -14.658 9.550 1.00 0.00 O ATOM 0 H GLU A 80 8.724 -13.654 9.876 1.00 0.00 H new ATOM 0 HA GLU A 80 11.361 -14.867 10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.633 -13.346 8.468 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.826 -12.059 9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.261 -11.758 9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.637 -11.967 10.980 1.00 0.00 H new ATOM 1094 N ASN A 81 11.553 -13.613 12.587 1.00 0.00 N ATOM 1095 CA ASN A 81 11.489 -13.144 13.967 1.00 0.00 C ATOM 1096 C ASN A 81 10.212 -13.624 14.650 1.00 0.00 C ATOM 1097 O ASN A 81 9.700 -12.972 15.560 1.00 0.00 O ATOM 1098 CB ASN A 81 11.563 -11.616 14.010 1.00 0.00 C ATOM 1099 CG ASN A 81 12.966 -11.113 14.291 1.00 0.00 C ATOM 1100 OD1 ASN A 81 13.783 -11.818 14.885 1.00 0.00 O ATOM 1101 ND2 ASN A 81 13.253 -9.889 13.865 1.00 0.00 N ATOM 0 H ASN A 81 12.422 -14.089 12.344 1.00 0.00 H new ATOM 0 HA ASN A 81 12.341 -13.559 14.505 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.219 -11.211 13.058 1.00 0.00 H new ATOM 0 HB3 ASN A 81 10.886 -11.244 14.779 1.00 0.00 H new ATOM 0 HD21 ASN A 81 14.181 -9.498 14.026 1.00 0.00 H new ATOM 0 HD22 ASN A 81 12.545 -9.340 13.377 1.00 0.00 H new ATOM 1108 N GLY A 82 9.701 -14.766 14.200 1.00 0.00 N ATOM 1109 CA GLY A 82 8.488 -15.311 14.777 1.00 0.00 C ATOM 1110 C GLY A 82 7.290 -14.407 14.563 1.00 0.00 C ATOM 1111 O GLY A 82 6.355 -14.403 15.366 1.00 0.00 O ATOM 0 H GLY A 82 10.106 -15.322 13.447 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.286 -16.287 14.337 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.636 -15.467 15.846 1.00 0.00 H new ATOM 1115 N ASN A 83 7.317 -13.637 13.480 1.00 0.00 N ATOM 1116 CA ASN A 83 6.223 -12.726 13.166 1.00 0.00 C ATOM 1117 C ASN A 83 5.898 -12.760 11.678 1.00 0.00 C ATOM 1118 O ASN A 83 6.795 -12.775 10.835 1.00 0.00 O ATOM 1119 CB ASN A 83 6.582 -11.300 13.588 1.00 0.00 C ATOM 1120 CG ASN A 83 7.886 -10.824 12.978 1.00 0.00 C ATOM 1121 OD1 ASN A 83 8.814 -10.394 13.825 1.00 0.00 O flip ATOM 1122 ND2 ASN A 83 8.058 -10.842 11.759 1.00 0.00 N flip ATOM 0 H ASN A 83 8.083 -13.626 12.807 1.00 0.00 H new ATOM 0 HA ASN A 83 5.342 -13.051 13.720 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.779 -10.624 13.293 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.655 -11.254 14.675 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.318 -11.181 11.144 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.941 -10.518 11.364 1.00 0.00 H new ATOM 1129 N TRP A 84 4.608 -12.772 11.361 1.00 0.00 N ATOM 1130 CA TRP A 84 4.164 -12.803 9.973 1.00 0.00 C ATOM 1131 C TRP A 84 4.474 -11.482 9.277 1.00 0.00 C ATOM 1132 O TRP A 84 3.730 -10.510 9.410 1.00 0.00 O ATOM 1133 CB TRP A 84 2.664 -13.093 9.901 1.00 0.00 C ATOM 1134 CG TRP A 84 2.339 -14.555 9.949 1.00 0.00 C ATOM 1135 CD1 TRP A 84 1.424 -15.165 10.758 1.00 0.00 C ATOM 1136 CD2 TRP A 84 2.929 -15.592 9.156 1.00 0.00 C ATOM 1137 NE1 TRP A 84 1.408 -16.517 10.516 1.00 0.00 N ATOM 1138 CE2 TRP A 84 2.323 -16.804 9.537 1.00 0.00 C ATOM 1139 CE3 TRP A 84 3.910 -15.612 8.160 1.00 0.00 C ATOM 1140 CZ2 TRP A 84 2.666 -18.023 8.956 1.00 0.00 C ATOM 1141 CZ3 TRP A 84 4.250 -16.823 7.585 1.00 0.00 C ATOM 1142 CH2 TRP A 84 3.629 -18.013 7.985 1.00 0.00 C ATOM 0 H TRP A 84 3.852 -12.761 12.046 1.00 0.00 H new ATOM 0 HA TRP A 84 4.704 -13.600 9.461 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.164 -12.590 10.728 1.00 0.00 H new ATOM 0 HB3 TRP A 84 2.263 -12.669 8.980 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.803 -14.659 11.482 1.00 0.00 H new ATOM 0 HE1 TRP A 84 0.812 -17.197 10.988 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.393 -14.699 7.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 2.189 -18.942 9.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.007 -16.852 6.815 1.00 0.00 H new ATOM 0 HH2 TRP A 84 3.917 -18.943 7.517 1.00 0.00 H new ATOM 1153 N CYS A 85 5.578 -11.452 8.539 1.00 0.00 N ATOM 1154 CA CYS A 85 5.988 -10.246 7.828 1.00 0.00 C ATOM 1155 C CYS A 85 5.476 -10.223 6.396 1.00 0.00 C ATOM 1156 O CYS A 85 5.273 -11.262 5.767 1.00 0.00 O ATOM 1157 CB CYS A 85 7.516 -10.134 7.757 1.00 0.00 C ATOM 1158 SG CYS A 85 8.107 -9.282 6.244 1.00 0.00 S ATOM 0 H CYS A 85 6.205 -12.248 8.417 1.00 0.00 H new ATOM 0 HA CYS A 85 5.562 -9.415 8.391 1.00 0.00 H new ATOM 0 HB2 CYS A 85 7.876 -9.595 8.634 1.00 0.00 H new ATOM 0 HB3 CYS A 85 7.950 -11.133 7.797 1.00 0.00 H new ATOM 1163 N GLY A 86 5.388 -9.013 5.865 1.00 0.00 N ATOM 1164 CA GLY A 86 5.037 -8.819 4.481 1.00 0.00 C ATOM 1165 C GLY A 86 6.291 -8.374 3.749 1.00 0.00 C ATOM 1166 O GLY A 86 6.863 -7.335 4.078 1.00 0.00 O ATOM 0 H GLY A 86 5.558 -8.150 6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.650 -9.743 4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.252 -8.069 4.386 1.00 0.00 H new ATOM 1170 N ILE A 87 6.767 -9.182 2.813 1.00 0.00 N ATOM 1171 CA ILE A 87 8.013 -8.878 2.112 1.00 0.00 C ATOM 1172 C ILE A 87 8.056 -7.438 1.600 1.00 0.00 C ATOM 1173 O ILE A 87 7.155 -6.981 0.897 1.00 0.00 O ATOM 1174 CB ILE A 87 8.256 -9.875 0.948 1.00 0.00 C ATOM 1175 CG1 ILE A 87 9.486 -10.739 1.234 1.00 0.00 C ATOM 1176 CG2 ILE A 87 8.415 -9.160 -0.389 1.00 0.00 C ATOM 1177 CD1 ILE A 87 9.517 -11.306 2.635 1.00 0.00 C ATOM 0 H ILE A 87 6.315 -10.048 2.520 1.00 0.00 H new ATOM 0 HA ILE A 87 8.816 -8.988 2.840 1.00 0.00 H new ATOM 0 HB ILE A 87 7.376 -10.515 0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.517 -11.560 0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 87 10.384 -10.142 1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.583 -9.894 -1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.510 -8.593 -0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 87 9.266 -8.480 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.417 -11.907 2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.518 -10.490 3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.638 -11.930 2.794 1.00 0.00 H new ATOM 1189 N LYS A 88 9.127 -6.738 1.975 1.00 0.00 N ATOM 1190 CA LYS A 88 9.335 -5.341 1.586 1.00 0.00 C ATOM 1191 C LYS A 88 8.933 -5.094 0.137 1.00 0.00 C ATOM 1192 O LYS A 88 9.013 -5.989 -0.705 1.00 0.00 O ATOM 1193 CB LYS A 88 10.802 -4.925 1.780 1.00 0.00 C ATOM 1194 CG LYS A 88 11.530 -5.653 2.903 1.00 0.00 C ATOM 1195 CD LYS A 88 10.752 -5.607 4.210 1.00 0.00 C ATOM 1196 CE LYS A 88 11.193 -4.445 5.088 1.00 0.00 C ATOM 1197 NZ LYS A 88 12.589 -4.610 5.578 1.00 0.00 N ATOM 0 H LYS A 88 9.873 -7.121 2.555 1.00 0.00 H new ATOM 0 HA LYS A 88 8.699 -4.737 2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.340 -5.095 0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.838 -3.854 1.977 1.00 0.00 H new ATOM 0 HG2 LYS A 88 11.694 -6.691 2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.512 -5.204 3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.687 -5.518 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.891 -6.544 4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.115 -3.515 4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.518 -4.359 5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.040 -3.677 5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.578 -5.075 6.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.126 -5.194 4.906 1.00 0.00 H new ATOM 1211 N ASN A 89 8.520 -3.863 -0.149 1.00 0.00 N ATOM 1212 CA ASN A 89 8.126 -3.485 -1.498 1.00 0.00 C ATOM 1213 C ASN A 89 9.341 -3.482 -2.424 1.00 0.00 C ATOM 1214 O ASN A 89 9.204 -3.422 -3.643 1.00 0.00 O ATOM 1215 CB ASN A 89 7.444 -2.108 -1.492 1.00 0.00 C ATOM 1216 CG ASN A 89 8.426 -0.952 -1.569 1.00 0.00 C ATOM 1217 OD1 ASN A 89 9.553 -1.079 -0.879 1.00 0.00 O flip ATOM 1218 ND2 ASN A 89 8.172 0.046 -2.245 1.00 0.00 N flip ATOM 0 H ASN A 89 8.450 -3.111 0.537 1.00 0.00 H new ATOM 0 HA ASN A 89 7.411 -4.218 -1.871 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.755 -2.048 -2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.848 -2.009 -0.585 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.294 0.103 -2.760 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.840 0.815 -2.290 1.00 0.00 H new ATOM 1225 N SER A 90 10.530 -3.549 -1.833 1.00 0.00 N ATOM 1226 CA SER A 90 11.770 -3.559 -2.595 1.00 0.00 C ATOM 1227 C SER A 90 12.162 -4.984 -2.965 1.00 0.00 C ATOM 1228 O SER A 90 12.846 -5.217 -3.962 1.00 0.00 O ATOM 1229 CB SER A 90 12.883 -2.909 -1.777 1.00 0.00 C ATOM 1230 OG SER A 90 14.158 -3.196 -2.327 1.00 0.00 O ATOM 0 H SER A 90 10.659 -3.597 -0.822 1.00 0.00 H new ATOM 0 HA SER A 90 11.619 -2.993 -3.514 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.732 -1.830 -1.746 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.839 -3.267 -0.748 1.00 0.00 H new ATOM 0 HG SER A 90 14.197 -2.870 -3.251 1.00 0.00 H new ATOM 1236 N CYS A 91 11.720 -5.931 -2.148 1.00 0.00 N ATOM 1237 CA CYS A 91 12.012 -7.339 -2.369 1.00 0.00 C ATOM 1238 C CYS A 91 10.936 -7.984 -3.233 1.00 0.00 C ATOM 1239 O CYS A 91 10.270 -8.931 -2.814 1.00 0.00 O ATOM 1240 CB CYS A 91 12.109 -8.070 -1.030 1.00 0.00 C ATOM 1241 SG CYS A 91 13.423 -7.448 0.070 1.00 0.00 S ATOM 0 H CYS A 91 11.154 -5.746 -1.320 1.00 0.00 H new ATOM 0 HA CYS A 91 12.966 -7.414 -2.890 1.00 0.00 H new ATOM 0 HB2 CYS A 91 11.152 -7.989 -0.515 1.00 0.00 H new ATOM 0 HB3 CYS A 91 12.281 -9.130 -1.219 1.00 0.00 H new ATOM 1246 N LYS A 92 10.769 -7.464 -4.442 1.00 0.00 N ATOM 1247 CA LYS A 92 9.775 -7.988 -5.366 1.00 0.00 C ATOM 1248 C LYS A 92 10.440 -8.445 -6.655 1.00 0.00 C ATOM 1249 O LYS A 92 10.231 -9.568 -7.112 1.00 0.00 O ATOM 1250 CB LYS A 92 8.715 -6.926 -5.665 1.00 0.00 C ATOM 1251 CG LYS A 92 8.030 -6.382 -4.419 1.00 0.00 C ATOM 1252 CD LYS A 92 7.218 -5.130 -4.721 1.00 0.00 C ATOM 1253 CE LYS A 92 6.200 -5.373 -5.823 1.00 0.00 C ATOM 1254 NZ LYS A 92 4.865 -4.808 -5.481 1.00 0.00 N ATOM 0 H LYS A 92 11.310 -6.679 -4.805 1.00 0.00 H new ATOM 0 HA LYS A 92 9.288 -8.846 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.181 -6.101 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.961 -7.353 -6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.376 -7.147 -4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.780 -6.155 -3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.705 -4.802 -3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.889 -4.323 -5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.556 -4.926 -6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.106 -6.444 -6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.200 -4.995 -6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.513 -5.252 -4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.949 -3.782 -5.337 1.00 0.00 H new ATOM 1268 N GLN A 93 11.247 -7.567 -7.230 1.00 0.00 N ATOM 1269 CA GLN A 93 11.952 -7.877 -8.466 1.00 0.00 C ATOM 1270 C GLN A 93 13.148 -6.947 -8.669 1.00 0.00 C ATOM 1271 O GLN A 93 14.277 -7.287 -8.314 1.00 0.00 O ATOM 1272 CB GLN A 93 10.998 -7.799 -9.662 1.00 0.00 C ATOM 1273 CG GLN A 93 9.884 -6.772 -9.507 1.00 0.00 C ATOM 1274 CD GLN A 93 8.514 -7.411 -9.377 1.00 0.00 C ATOM 1275 OE1 GLN A 93 7.726 -7.046 -8.506 1.00 0.00 O ATOM 1276 NE2 GLN A 93 8.224 -8.371 -10.248 1.00 0.00 N ATOM 0 H GLN A 93 11.431 -6.634 -6.861 1.00 0.00 H new ATOM 0 HA GLN A 93 12.331 -8.896 -8.390 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.574 -7.562 -10.557 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.552 -8.781 -9.821 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.080 -6.159 -8.627 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.889 -6.104 -10.368 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.908 -8.642 -10.954 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.317 -8.837 -10.210 1.00 0.00 H new ATOM 1285 N GLN A 94 12.894 -5.775 -9.243 1.00 0.00 N ATOM 1286 CA GLN A 94 13.946 -4.797 -9.494 1.00 0.00 C ATOM 1287 C GLN A 94 13.422 -3.379 -9.287 1.00 0.00 C ATOM 1288 O GLN A 94 12.214 -3.150 -9.313 1.00 0.00 O ATOM 1289 CB GLN A 94 14.478 -4.953 -10.921 1.00 0.00 C ATOM 1290 CG GLN A 94 15.391 -6.155 -11.102 1.00 0.00 C ATOM 1291 CD GLN A 94 15.067 -6.953 -12.349 1.00 0.00 C ATOM 1292 OE1 GLN A 94 15.079 -8.184 -12.334 1.00 0.00 O ATOM 1293 NE2 GLN A 94 14.774 -6.254 -13.440 1.00 0.00 N ATOM 0 H GLN A 94 11.965 -5.479 -9.544 1.00 0.00 H new ATOM 0 HA GLN A 94 14.757 -4.974 -8.788 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.635 -5.041 -11.606 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.021 -4.050 -11.198 1.00 0.00 H new ATOM 0 HG2 GLN A 94 16.426 -5.816 -11.151 1.00 0.00 H new ATOM 0 HG3 GLN A 94 15.309 -6.803 -10.229 1.00 0.00 H new ATOM 0 HE21 GLN A 94 14.776 -5.234 -13.408 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.547 -6.737 -14.309 1.00 0.00 H new ATOM 1302 N PRO A 95 14.324 -2.403 -9.081 1.00 0.00 N ATOM 1303 CA PRO A 95 13.940 -1.005 -8.873 1.00 0.00 C ATOM 1304 C PRO A 95 13.001 -0.499 -9.962 1.00 0.00 C ATOM 1305 O PRO A 95 13.444 0.032 -10.981 1.00 0.00 O ATOM 1306 CB PRO A 95 15.274 -0.242 -8.912 1.00 0.00 C ATOM 1307 CG PRO A 95 16.282 -1.218 -9.426 1.00 0.00 C ATOM 1308 CD PRO A 95 15.781 -2.578 -9.037 1.00 0.00 C ATOM 0 HA PRO A 95 13.395 -0.871 -7.938 1.00 0.00 H new ATOM 0 HB2 PRO A 95 15.207 0.631 -9.562 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.548 0.119 -7.921 1.00 0.00 H new ATOM 0 HG2 PRO A 95 16.387 -1.136 -10.508 1.00 0.00 H new ATOM 0 HG3 PRO A 95 17.265 -1.027 -8.995 1.00 0.00 H new ATOM 0 HD2 PRO A 95 16.119 -3.349 -9.730 1.00 0.00 H new ATOM 0 HD3 PRO A 95 16.125 -2.869 -8.045 1.00 0.00 H new ATOM 1316 N GLN A 96 11.702 -0.670 -9.740 1.00 0.00 N ATOM 1317 CA GLN A 96 10.695 -0.235 -10.701 1.00 0.00 C ATOM 1318 C GLN A 96 10.693 1.283 -10.839 1.00 0.00 C ATOM 1319 O GLN A 96 10.146 1.993 -9.994 1.00 0.00 O ATOM 1320 CB GLN A 96 9.310 -0.729 -10.277 1.00 0.00 C ATOM 1321 CG GLN A 96 8.846 -1.961 -11.035 1.00 0.00 C ATOM 1322 CD GLN A 96 8.196 -1.618 -12.361 1.00 0.00 C ATOM 1323 OE1 GLN A 96 8.042 -0.446 -12.706 1.00 0.00 O ATOM 1324 NE2 GLN A 96 7.810 -2.643 -13.113 1.00 0.00 N ATOM 0 H GLN A 96 11.321 -1.108 -8.901 1.00 0.00 H new ATOM 0 HA GLN A 96 10.943 -0.665 -11.671 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.324 -0.953 -9.210 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.586 0.073 -10.425 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.698 -2.617 -11.211 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.138 -2.516 -10.420 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.957 -3.598 -12.788 1.00 0.00 H new ATOM 0 HE22 GLN A 96 7.366 -2.475 -14.016 1.00 0.00 H new ATOM 1333 N ASN A 97 11.309 1.775 -11.909 1.00 0.00 N ATOM 1334 CA ASN A 97 11.380 3.210 -12.160 1.00 0.00 C ATOM 1335 C ASN A 97 12.075 3.495 -13.487 1.00 0.00 C ATOM 1336 O ASN A 97 13.226 3.109 -13.691 1.00 0.00 O ATOM 1337 CB ASN A 97 12.119 3.914 -11.021 1.00 0.00 C ATOM 1338 CG ASN A 97 13.402 3.203 -10.633 1.00 0.00 C ATOM 1339 OD1 ASN A 97 13.958 2.432 -11.416 1.00 0.00 O ATOM 1340 ND2 ASN A 97 13.876 3.456 -9.420 1.00 0.00 N ATOM 0 H ASN A 97 11.767 1.201 -12.617 1.00 0.00 H new ATOM 0 HA ASN A 97 10.362 3.595 -12.213 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.350 4.936 -11.320 1.00 0.00 H new ATOM 0 HB3 ASN A 97 11.465 3.976 -10.151 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.734 3.004 -9.103 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.382 4.102 -8.804 1.00 0.00 H new ATOM 1347 N ASN A 98 11.370 4.174 -14.385 1.00 0.00 N ATOM 1348 CA ASN A 98 11.920 4.511 -15.693 1.00 0.00 C ATOM 1349 C ASN A 98 13.018 5.563 -15.567 1.00 0.00 C ATOM 1350 O ASN A 98 12.815 6.617 -14.964 1.00 0.00 O ATOM 1351 CB ASN A 98 10.813 5.016 -16.620 1.00 0.00 C ATOM 1352 CG ASN A 98 10.843 4.341 -17.978 1.00 0.00 C ATOM 1353 OD1 ASN A 98 9.879 3.689 -18.381 1.00 0.00 O ATOM 1354 ND2 ASN A 98 11.953 4.493 -18.691 1.00 0.00 N ATOM 0 H ASN A 98 10.416 4.502 -14.231 1.00 0.00 H new ATOM 0 HA ASN A 98 12.356 3.608 -16.120 1.00 0.00 H new ATOM 0 HB2 ASN A 98 9.844 4.842 -16.152 1.00 0.00 H new ATOM 0 HB3 ASN A 98 10.915 6.093 -16.750 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.031 4.061 -19.612 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.728 5.042 -18.318 1.00 0.00 H new ATOM 1361 N ASN A 99 14.180 5.270 -16.140 1.00 0.00 N ATOM 1362 CA ASN A 99 15.309 6.192 -16.092 1.00 0.00 C ATOM 1363 C ASN A 99 14.962 7.514 -16.766 1.00 0.00 C ATOM 1364 O ASN A 99 14.029 7.588 -17.567 1.00 0.00 O ATOM 1365 CB ASN A 99 16.533 5.567 -16.767 1.00 0.00 C ATOM 1366 CG ASN A 99 17.792 6.384 -16.551 1.00 0.00 C ATOM 1367 OD1 ASN A 99 18.382 6.899 -17.501 1.00 0.00 O ATOM 1368 ND2 ASN A 99 18.210 6.507 -15.297 1.00 0.00 N ATOM 0 H ASN A 99 14.365 4.402 -16.643 1.00 0.00 H new ATOM 0 HA ASN A 99 15.540 6.390 -15.045 1.00 0.00 H new ATOM 0 HB2 ASN A 99 16.685 4.560 -16.377 1.00 0.00 H new ATOM 0 HB3 ASN A 99 16.345 5.470 -17.836 1.00 0.00 H new ATOM 0 HD21 ASN A 99 19.051 7.045 -15.090 1.00 0.00 H new ATOM 0 HD22 ASN A 99 17.690 6.063 -14.540 1.00 0.00 H new ATOM 1375 N GLN A 100 15.718 8.558 -16.437 1.00 0.00 N ATOM 1376 CA GLN A 100 15.490 9.878 -17.012 1.00 0.00 C ATOM 1377 C GLN A 100 15.675 9.853 -18.526 1.00 0.00 C ATOM 1378 O GLN A 100 15.167 10.773 -19.199 1.00 0.00 O ATOM 1379 CB GLN A 100 16.440 10.899 -16.387 1.00 0.00 C ATOM 1380 CG GLN A 100 17.908 10.530 -16.529 1.00 0.00 C ATOM 1381 CD GLN A 100 18.833 11.694 -16.227 1.00 0.00 C ATOM 1382 OE1 GLN A 100 19.116 11.993 -15.067 1.00 0.00 O ATOM 1383 NE2 GLN A 100 19.310 12.357 -17.274 1.00 0.00 N ATOM 1384 OXT GLN A 100 16.328 8.912 -19.025 1.00 0.00 O ATOM 0 H GLN A 100 16.493 8.514 -15.775 1.00 0.00 H new ATOM 0 HA GLN A 100 14.462 10.168 -16.796 1.00 0.00 H new ATOM 0 HB2 GLN A 100 16.272 11.871 -16.851 1.00 0.00 H new ATOM 0 HB3 GLN A 100 16.201 11.005 -15.329 1.00 0.00 H new ATOM 0 HG2 GLN A 100 18.138 9.704 -15.856 1.00 0.00 H new ATOM 0 HG3 GLN A 100 18.094 10.177 -17.543 1.00 0.00 H new ATOM 0 HE21 GLN A 100 19.049 12.074 -18.219 1.00 0.00 H new ATOM 0 HE22 GLN A 100 19.938 13.149 -17.134 1.00 0.00 H new TER 1393 GLN A 100