USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 502 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 44 SER OG : rot -86:sc= 1.16 USER MOD Set 1.2: A 89 ASN : amide:sc= 0.717 K(o=1.9,f=-5.1!) USER MOD Set 2.1: A 20 THR OG1 : rot -142:sc= -1.31 USER MOD Set 2.2: A 34 GLN : amide:sc= -1.83 K(o=-3.1,f=-0.57!) USER MOD Set 3.1: A 15 ASN : amide:sc= -1.81 K(o=-4.9,f=-0.019) USER MOD Set 3.2: A 16 ASN : amide:sc= -3.11 K(o=-4.9,f=-0.019) USER MOD Single : A 2 MET CE :methyl 166:sc= -0.548 (180deg=-1.15) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 8 SER OG : rot 107:sc= 1.17 USER MOD Single : A 9 GLN : amide:sc= -4.06 K(o=-4.1,f=-9.7!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.757 K(o=0.76,f=-4.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -51:sc= 0.105 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -45:sc= 0.482 USER MOD Single : A 28 SER OG : rot 150:sc= -0.0947 USER MOD Single : A 30 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.18) USER MOD Single : A 35 ASN : amide:sc= -0.0454 X(o=-0.045,f=-0.51) USER MOD Single : A 37 GLN : amide:sc= -1.72 X(o=-1.7,f=-1.9!) USER MOD Single : A 43 TYR OH : rot -13:sc= 0.0873 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 83:sc= 1.13 USER MOD Single : A 57 ASN : amide:sc= -2.22 K(o=-2.2,f=-0.98!) USER MOD Single : A 59 SER OG : rot -24:sc= 0.468 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -4.37! C(o=-4.4!,f=-7.1!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot -42:sc= 0.0404! USER MOD Single : A 67 GLN : amide:sc= -1.31 X(o=-1.3,f=-0.85) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -69:sc= 0.242 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0754 USER MOD Single : A 81 ASN : amide:sc= 1.07 K(o=1.1,f=-0.82) USER MOD Single : A 83 ASN : amide:sc= -2.81 K(o=-2.8,f=-5.1!) USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= -1.78 (180deg=-2.16) USER MOD ----------------------------------------------------------------- ATOM 13 N MET A 2 3.212 6.092 -6.972 1.00 0.00 N ATOM 14 CA MET A 2 2.211 7.149 -7.111 1.00 0.00 C ATOM 15 C MET A 2 0.845 6.579 -7.484 1.00 0.00 C ATOM 16 O MET A 2 0.508 6.468 -8.663 1.00 0.00 O ATOM 17 CB MET A 2 2.650 8.166 -8.168 1.00 0.00 C ATOM 18 CG MET A 2 3.233 7.533 -9.422 1.00 0.00 C ATOM 19 SD MET A 2 4.869 8.171 -9.831 1.00 0.00 S ATOM 20 CE MET A 2 5.754 7.826 -8.312 1.00 0.00 C ATOM 0 HA MET A 2 2.123 7.646 -6.145 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.793 8.780 -8.446 1.00 0.00 H new ATOM 0 HB3 MET A 2 3.392 8.834 -7.730 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.293 6.453 -9.284 1.00 0.00 H new ATOM 0 HG3 MET A 2 2.559 7.710 -10.260 1.00 0.00 H new ATOM 0 HE1 MET A 2 6.825 7.929 -8.484 1.00 0.00 H new ATOM 0 HE2 MET A 2 5.441 8.530 -7.541 1.00 0.00 H new ATOM 0 HE3 MET A 2 5.535 6.809 -7.986 1.00 0.00 H new ATOM 30 N ALA A 3 0.059 6.228 -6.472 1.00 0.00 N ATOM 31 CA ALA A 3 -1.276 5.680 -6.694 1.00 0.00 C ATOM 32 C ALA A 3 -2.175 5.857 -5.473 1.00 0.00 C ATOM 33 O ALA A 3 -3.051 5.033 -5.215 1.00 0.00 O ATOM 34 CB ALA A 3 -1.181 4.212 -7.062 1.00 0.00 C ATOM 0 H ALA A 3 0.322 6.313 -5.490 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.727 6.234 -7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.182 3.812 -7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.593 4.103 -7.973 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.700 3.664 -6.252 1.00 0.00 H new ATOM 40 N CYS A 4 -1.959 6.933 -4.725 1.00 0.00 N ATOM 41 CA CYS A 4 -2.761 7.203 -3.535 1.00 0.00 C ATOM 42 C CYS A 4 -4.192 7.562 -3.917 1.00 0.00 C ATOM 43 O CYS A 4 -4.440 8.109 -4.991 1.00 0.00 O ATOM 44 CB CYS A 4 -2.143 8.336 -2.712 1.00 0.00 C ATOM 45 SG CYS A 4 -1.639 9.784 -3.695 1.00 0.00 S ATOM 0 H CYS A 4 -1.240 7.630 -4.919 1.00 0.00 H new ATOM 0 HA CYS A 4 -2.777 6.297 -2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -2.862 8.656 -1.957 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.273 7.951 -2.181 1.00 0.00 H new ATOM 50 N TRP A 5 -5.129 7.256 -3.029 1.00 0.00 N ATOM 51 CA TRP A 5 -6.536 7.553 -3.272 1.00 0.00 C ATOM 52 C TRP A 5 -6.852 9.002 -2.911 1.00 0.00 C ATOM 53 O TRP A 5 -7.823 9.578 -3.404 1.00 0.00 O ATOM 54 CB TRP A 5 -7.430 6.604 -2.468 1.00 0.00 C ATOM 55 CG TRP A 5 -7.009 6.466 -1.039 1.00 0.00 C ATOM 56 CD1 TRP A 5 -6.259 5.466 -0.500 1.00 0.00 C ATOM 57 CD2 TRP A 5 -7.314 7.359 0.030 1.00 0.00 C ATOM 58 NE1 TRP A 5 -6.072 5.685 0.844 1.00 0.00 N ATOM 59 CE2 TRP A 5 -6.713 6.846 1.194 1.00 0.00 C ATOM 60 CE3 TRP A 5 -8.035 8.545 0.111 1.00 0.00 C ATOM 61 CZ2 TRP A 5 -6.817 7.485 2.426 1.00 0.00 C ATOM 62 CZ3 TRP A 5 -8.140 9.181 1.330 1.00 0.00 C ATOM 63 CH2 TRP A 5 -7.532 8.650 2.476 1.00 0.00 C ATOM 0 H TRP A 5 -4.941 6.803 -2.135 1.00 0.00 H new ATOM 0 HA TRP A 5 -6.735 7.409 -4.334 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.458 6.966 -2.504 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -7.421 5.621 -2.939 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -5.867 4.622 -1.049 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.544 5.084 1.476 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -8.506 8.962 -0.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -6.350 7.076 3.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -8.699 10.102 1.403 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -7.630 9.171 3.417 1.00 0.00 H new ATOM 74 N ALA A 6 -6.024 9.590 -2.050 1.00 0.00 N ATOM 75 CA ALA A 6 -6.211 10.974 -1.629 1.00 0.00 C ATOM 76 C ALA A 6 -6.052 11.932 -2.806 1.00 0.00 C ATOM 77 O ALA A 6 -6.622 13.022 -2.811 1.00 0.00 O ATOM 78 CB ALA A 6 -5.228 11.328 -0.523 1.00 0.00 C ATOM 0 H ALA A 6 -5.217 9.128 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.226 11.076 -1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.380 12.364 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.390 10.672 0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.209 11.203 -0.888 1.00 0.00 H new ATOM 84 N GLN A 7 -5.276 11.519 -3.805 1.00 0.00 N ATOM 85 CA GLN A 7 -5.047 12.345 -4.987 1.00 0.00 C ATOM 86 C GLN A 7 -6.315 12.455 -5.829 1.00 0.00 C ATOM 87 O GLN A 7 -6.460 13.380 -6.629 1.00 0.00 O ATOM 88 CB GLN A 7 -3.904 11.773 -5.828 1.00 0.00 C ATOM 89 CG GLN A 7 -4.197 10.397 -6.401 1.00 0.00 C ATOM 90 CD GLN A 7 -4.360 10.414 -7.908 1.00 0.00 C ATOM 91 OE1 GLN A 7 -5.461 10.612 -8.423 1.00 0.00 O ATOM 92 NE2 GLN A 7 -3.262 10.207 -8.626 1.00 0.00 N ATOM 0 H GLN A 7 -4.796 10.619 -3.820 1.00 0.00 H new ATOM 0 HA GLN A 7 -4.770 13.344 -4.651 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.688 12.459 -6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.005 11.717 -5.214 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -3.388 9.717 -6.135 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.106 10.004 -5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.370 10.047 -8.159 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -3.311 10.208 -9.645 1.00 0.00 H new ATOM 101 N SER A 8 -7.236 11.513 -5.641 1.00 0.00 N ATOM 102 CA SER A 8 -8.491 11.517 -6.382 1.00 0.00 C ATOM 103 C SER A 8 -9.242 12.828 -6.164 1.00 0.00 C ATOM 104 O SER A 8 -10.031 13.251 -7.010 1.00 0.00 O ATOM 105 CB SER A 8 -9.366 10.338 -5.953 1.00 0.00 C ATOM 106 OG SER A 8 -8.585 9.172 -5.750 1.00 0.00 O ATOM 0 H SER A 8 -7.136 10.740 -4.983 1.00 0.00 H new ATOM 0 HA SER A 8 -8.260 11.420 -7.443 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.896 10.589 -5.034 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.122 10.146 -6.714 1.00 0.00 H new ATOM 0 HG SER A 8 -8.512 8.990 -4.790 1.00 0.00 H new ATOM 112 N GLN A 9 -8.988 13.470 -5.026 1.00 0.00 N ATOM 113 CA GLN A 9 -9.637 14.734 -4.701 1.00 0.00 C ATOM 114 C GLN A 9 -8.648 15.894 -4.779 1.00 0.00 C ATOM 115 O GLN A 9 -9.044 17.045 -4.969 1.00 0.00 O ATOM 116 CB GLN A 9 -10.262 14.671 -3.305 1.00 0.00 C ATOM 117 CG GLN A 9 -9.358 14.043 -2.259 1.00 0.00 C ATOM 118 CD GLN A 9 -9.471 12.532 -2.226 1.00 0.00 C ATOM 119 OE1 GLN A 9 -8.790 11.830 -2.973 1.00 0.00 O ATOM 120 NE2 GLN A 9 -10.337 12.024 -1.357 1.00 0.00 N ATOM 0 H GLN A 9 -8.338 13.135 -4.315 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.425 14.905 -5.435 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.523 15.681 -2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.191 14.103 -3.358 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.324 14.322 -2.462 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.610 14.444 -1.277 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.881 12.644 -0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.458 11.014 -1.289 1.00 0.00 H new ATOM 129 N GLY A 10 -7.359 15.590 -4.636 1.00 0.00 N ATOM 130 CA GLY A 10 -6.347 16.629 -4.701 1.00 0.00 C ATOM 131 C GLY A 10 -5.186 16.388 -3.755 1.00 0.00 C ATOM 132 O GLY A 10 -4.075 16.861 -3.994 1.00 0.00 O ATOM 0 H GLY A 10 -7.000 14.648 -4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.969 16.696 -5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.805 17.590 -4.467 1.00 0.00 H new ATOM 136 N TYR A 11 -5.439 15.653 -2.676 1.00 0.00 N ATOM 137 CA TYR A 11 -4.398 15.359 -1.695 1.00 0.00 C ATOM 138 C TYR A 11 -3.350 14.418 -2.279 1.00 0.00 C ATOM 139 O TYR A 11 -3.681 13.375 -2.839 1.00 0.00 O ATOM 140 CB TYR A 11 -5.007 14.740 -0.437 1.00 0.00 C ATOM 141 CG TYR A 11 -5.642 15.751 0.491 1.00 0.00 C ATOM 142 CD1 TYR A 11 -4.862 16.612 1.255 1.00 0.00 C ATOM 143 CD2 TYR A 11 -7.022 15.840 0.606 1.00 0.00 C ATOM 144 CE1 TYR A 11 -5.442 17.532 2.106 1.00 0.00 C ATOM 145 CE2 TYR A 11 -7.609 16.758 1.454 1.00 0.00 C ATOM 146 CZ TYR A 11 -6.816 17.601 2.202 1.00 0.00 C ATOM 147 OH TYR A 11 -7.397 18.517 3.049 1.00 0.00 O ATOM 0 H TYR A 11 -6.351 15.252 -2.459 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.913 16.298 -1.430 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.758 14.007 -0.731 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.230 14.200 0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.786 16.560 1.182 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.647 15.180 0.023 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.823 18.194 2.693 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.685 16.815 1.531 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.372 18.437 2.998 1.00 0.00 H new ATOM 157 N ASN A 12 -2.083 14.793 -2.142 1.00 0.00 N ATOM 158 CA ASN A 12 -0.989 13.980 -2.660 1.00 0.00 C ATOM 159 C ASN A 12 -0.679 12.820 -1.721 1.00 0.00 C ATOM 160 O ASN A 12 -1.093 12.818 -0.562 1.00 0.00 O ATOM 161 CB ASN A 12 0.262 14.838 -2.856 1.00 0.00 C ATOM 162 CG ASN A 12 0.615 15.636 -1.617 1.00 0.00 C ATOM 163 OD1 ASN A 12 -0.199 16.406 -1.106 1.00 0.00 O ATOM 164 ND2 ASN A 12 1.836 15.456 -1.125 1.00 0.00 N ATOM 0 H ASN A 12 -1.789 15.652 -1.678 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.298 13.572 -3.622 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.101 14.196 -3.123 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.104 15.520 -3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.131 15.966 -0.292 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.479 14.808 -1.580 1.00 0.00 H new ATOM 171 N CYS A 13 0.048 11.832 -2.231 1.00 0.00 N ATOM 172 CA CYS A 13 0.414 10.663 -1.443 1.00 0.00 C ATOM 173 C CYS A 13 1.363 11.045 -0.311 1.00 0.00 C ATOM 174 O CYS A 13 2.117 12.012 -0.420 1.00 0.00 O ATOM 175 CB CYS A 13 1.064 9.602 -2.332 1.00 0.00 C ATOM 176 SG CYS A 13 0.343 9.476 -4.004 1.00 0.00 S ATOM 0 H CYS A 13 0.396 11.819 -3.190 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.497 10.252 -1.008 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.127 9.824 -2.424 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.982 8.633 -1.840 1.00 0.00 H new ATOM 181 N CYS A 14 1.318 10.282 0.777 1.00 0.00 N ATOM 182 CA CYS A 14 2.170 10.547 1.930 1.00 0.00 C ATOM 183 C CYS A 14 3.383 9.620 1.945 1.00 0.00 C ATOM 184 O CYS A 14 3.251 8.412 2.131 1.00 0.00 O ATOM 185 CB CYS A 14 1.370 10.379 3.226 1.00 0.00 C ATOM 186 SG CYS A 14 1.490 11.788 4.378 1.00 0.00 S ATOM 0 H CYS A 14 0.701 9.477 0.884 1.00 0.00 H new ATOM 0 HA CYS A 14 2.527 11.574 1.856 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.322 10.221 2.973 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.714 9.479 3.736 1.00 0.00 H new ATOM 191 N ASN A 15 4.565 10.201 1.758 1.00 0.00 N ATOM 192 CA ASN A 15 5.810 9.443 1.760 1.00 0.00 C ATOM 193 C ASN A 15 5.864 8.508 2.968 1.00 0.00 C ATOM 194 O ASN A 15 5.875 8.962 4.110 1.00 0.00 O ATOM 195 CB ASN A 15 7.000 10.409 1.776 1.00 0.00 C ATOM 196 CG ASN A 15 8.336 9.700 1.862 1.00 0.00 C ATOM 197 OD1 ASN A 15 8.861 9.214 0.860 1.00 0.00 O ATOM 198 ND2 ASN A 15 8.894 9.639 3.066 1.00 0.00 N ATOM 0 H ASN A 15 4.685 11.202 1.602 1.00 0.00 H new ATOM 0 HA ASN A 15 5.858 8.835 0.857 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.977 11.021 0.874 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.899 11.087 2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.794 9.175 3.188 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.422 10.056 3.868 1.00 0.00 H new ATOM 205 N ASN A 16 5.879 7.205 2.705 1.00 0.00 N ATOM 206 CA ASN A 16 5.913 6.203 3.767 1.00 0.00 C ATOM 207 C ASN A 16 4.609 6.218 4.558 1.00 0.00 C ATOM 208 O ASN A 16 4.588 6.572 5.737 1.00 0.00 O ATOM 209 CB ASN A 16 7.100 6.440 4.708 1.00 0.00 C ATOM 210 CG ASN A 16 8.428 6.105 4.061 1.00 0.00 C ATOM 211 OD1 ASN A 16 9.162 5.236 4.532 1.00 0.00 O ATOM 212 ND2 ASN A 16 8.743 6.795 2.974 1.00 0.00 N ATOM 0 H ASN A 16 5.868 6.816 1.762 1.00 0.00 H new ATOM 0 HA ASN A 16 6.033 5.225 3.301 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.106 7.483 5.024 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.974 5.835 5.606 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.624 6.615 2.493 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.104 7.506 2.619 1.00 0.00 H new ATOM 219 N PRO A 17 3.496 5.826 3.914 1.00 0.00 N ATOM 220 CA PRO A 17 2.180 5.792 4.559 1.00 0.00 C ATOM 221 C PRO A 17 2.138 4.813 5.727 1.00 0.00 C ATOM 222 O PRO A 17 1.258 4.891 6.584 1.00 0.00 O ATOM 223 CB PRO A 17 1.236 5.336 3.441 1.00 0.00 C ATOM 224 CG PRO A 17 2.115 4.678 2.433 1.00 0.00 C ATOM 225 CD PRO A 17 3.436 5.385 2.511 1.00 0.00 C ATOM 0 HA PRO A 17 1.912 6.759 4.985 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.483 4.644 3.819 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.703 6.181 3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.228 3.615 2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.689 4.757 1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.264 4.721 2.261 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.484 6.228 1.821 1.00 0.00 H new ATOM 233 N SER A 18 3.101 3.897 5.760 1.00 0.00 N ATOM 234 CA SER A 18 3.180 2.906 6.829 1.00 0.00 C ATOM 235 C SER A 18 3.877 3.483 8.060 1.00 0.00 C ATOM 236 O SER A 18 4.049 2.795 9.065 1.00 0.00 O ATOM 237 CB SER A 18 3.933 1.667 6.345 1.00 0.00 C ATOM 238 OG SER A 18 3.371 0.484 6.888 1.00 0.00 O ATOM 0 H SER A 18 3.838 3.820 5.059 1.00 0.00 H new ATOM 0 HA SER A 18 2.163 2.627 7.105 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.903 1.621 5.256 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.982 1.740 6.632 1.00 0.00 H new ATOM 0 HG SER A 18 3.869 -0.294 6.562 1.00 0.00 H new ATOM 244 N SER A 19 4.276 4.750 7.974 1.00 0.00 N ATOM 245 CA SER A 19 4.953 5.415 9.076 1.00 0.00 C ATOM 246 C SER A 19 4.472 6.856 9.205 1.00 0.00 C ATOM 247 O SER A 19 5.206 7.729 9.668 1.00 0.00 O ATOM 248 CB SER A 19 6.467 5.386 8.856 1.00 0.00 C ATOM 249 OG SER A 19 7.165 5.624 10.065 1.00 0.00 O ATOM 0 H SER A 19 4.140 5.335 7.149 1.00 0.00 H new ATOM 0 HA SER A 19 4.718 4.885 9.999 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.759 4.418 8.449 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.744 6.139 8.119 1.00 0.00 H new ATOM 0 HG SER A 19 6.814 6.434 10.491 1.00 0.00 H new ATOM 255 N THR A 20 3.233 7.098 8.785 1.00 0.00 N ATOM 256 CA THR A 20 2.650 8.423 8.840 1.00 0.00 C ATOM 257 C THR A 20 1.675 8.540 10.010 1.00 0.00 C ATOM 258 O THR A 20 1.013 7.570 10.381 1.00 0.00 O ATOM 259 CB THR A 20 1.930 8.717 7.521 1.00 0.00 C ATOM 260 OG1 THR A 20 2.853 9.109 6.520 1.00 0.00 O ATOM 261 CG2 THR A 20 0.889 9.802 7.636 1.00 0.00 C ATOM 0 H THR A 20 2.614 6.384 8.401 1.00 0.00 H new ATOM 0 HA THR A 20 3.446 9.152 8.990 1.00 0.00 H new ATOM 0 HB THR A 20 1.431 7.786 7.253 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.459 9.819 5.971 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.418 9.959 6.665 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.133 9.505 8.362 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.363 10.727 7.963 1.00 0.00 H new ATOM 269 N LYS A 21 1.581 9.739 10.573 1.00 0.00 N ATOM 270 CA LYS A 21 0.675 9.992 11.685 1.00 0.00 C ATOM 271 C LYS A 21 -0.685 10.436 11.158 1.00 0.00 C ATOM 272 O LYS A 21 -0.802 11.487 10.530 1.00 0.00 O ATOM 273 CB LYS A 21 1.253 11.062 12.613 1.00 0.00 C ATOM 274 CG LYS A 21 0.439 11.271 13.881 1.00 0.00 C ATOM 275 CD LYS A 21 -0.588 12.377 13.705 1.00 0.00 C ATOM 276 CE LYS A 21 -1.031 12.943 15.045 1.00 0.00 C ATOM 277 NZ LYS A 21 -0.340 14.223 15.364 1.00 0.00 N ATOM 0 H LYS A 21 2.122 10.551 10.277 1.00 0.00 H new ATOM 0 HA LYS A 21 0.553 9.069 12.252 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.271 10.783 12.886 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.316 12.006 12.071 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.066 10.343 14.148 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.106 11.520 14.706 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.165 13.174 13.094 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.454 11.989 13.168 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.109 13.106 15.032 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.828 12.216 15.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.670 14.575 16.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.687 14.063 15.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.554 14.926 14.628 1.00 0.00 H new ATOM 291 N VAL A 22 -1.711 9.631 11.412 1.00 0.00 N ATOM 292 CA VAL A 22 -3.044 9.938 10.962 1.00 0.00 C ATOM 293 C VAL A 22 -3.785 10.747 12.012 1.00 0.00 C ATOM 294 O VAL A 22 -4.353 10.197 12.955 1.00 0.00 O ATOM 295 CB VAL A 22 -3.832 8.648 10.648 1.00 0.00 C ATOM 296 CG1 VAL A 22 -5.254 8.967 10.217 1.00 0.00 C ATOM 297 CG2 VAL A 22 -3.116 7.837 9.581 1.00 0.00 C ATOM 0 H VAL A 22 -1.633 8.757 11.932 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.961 10.527 10.048 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.885 8.052 11.559 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.786 8.040 10.002 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.766 9.502 11.017 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.232 9.588 9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.684 6.931 9.371 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.029 8.430 8.671 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.121 7.568 9.935 1.00 0.00 H new ATOM 307 N GLU A 23 -3.788 12.054 11.825 1.00 0.00 N ATOM 308 CA GLU A 23 -4.479 12.948 12.740 1.00 0.00 C ATOM 309 C GLU A 23 -5.907 13.164 12.263 1.00 0.00 C ATOM 310 O GLU A 23 -6.679 13.894 12.884 1.00 0.00 O ATOM 311 CB GLU A 23 -3.756 14.300 12.864 1.00 0.00 C ATOM 312 CG GLU A 23 -2.922 14.696 11.649 1.00 0.00 C ATOM 313 CD GLU A 23 -3.769 15.120 10.465 1.00 0.00 C ATOM 314 OE1 GLU A 23 -5.013 15.107 10.586 1.00 0.00 O ATOM 315 OE2 GLU A 23 -3.188 15.470 9.417 1.00 0.00 O ATOM 0 H GLU A 23 -3.320 12.521 11.048 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.486 12.484 13.726 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.498 15.077 13.046 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.106 14.269 13.738 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.255 15.513 11.923 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.293 13.855 11.357 1.00 0.00 H new ATOM 322 N TYR A 24 -6.248 12.524 11.148 1.00 0.00 N ATOM 323 CA TYR A 24 -7.590 12.654 10.582 1.00 0.00 C ATOM 324 C TYR A 24 -8.148 11.311 10.129 1.00 0.00 C ATOM 325 O TYR A 24 -7.403 10.425 9.717 1.00 0.00 O ATOM 326 CB TYR A 24 -7.582 13.630 9.407 1.00 0.00 C ATOM 327 CG TYR A 24 -8.952 14.172 9.060 1.00 0.00 C ATOM 328 CD1 TYR A 24 -9.300 15.481 9.367 1.00 0.00 C ATOM 329 CD2 TYR A 24 -9.896 13.375 8.422 1.00 0.00 C ATOM 330 CE1 TYR A 24 -10.550 15.980 9.051 1.00 0.00 C ATOM 331 CE2 TYR A 24 -11.148 13.866 8.102 1.00 0.00 C ATOM 332 CZ TYR A 24 -11.469 15.170 8.419 1.00 0.00 C ATOM 333 OH TYR A 24 -12.714 15.665 8.102 1.00 0.00 O ATOM 0 H TYR A 24 -5.621 11.915 10.622 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.236 13.039 11.371 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.920 14.463 9.642 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.166 13.129 8.533 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.582 16.120 9.861 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.647 12.354 8.172 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.805 17.000 9.298 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.870 13.233 7.607 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.241 14.967 7.659 1.00 0.00 H new ATOM 343 N THR A 25 -9.467 11.177 10.186 1.00 0.00 N ATOM 344 CA THR A 25 -10.130 9.951 9.761 1.00 0.00 C ATOM 345 C THR A 25 -11.626 10.178 9.584 1.00 0.00 C ATOM 346 O THR A 25 -12.262 10.860 10.388 1.00 0.00 O ATOM 347 CB THR A 25 -9.892 8.824 10.764 1.00 0.00 C ATOM 348 OG1 THR A 25 -8.553 8.835 11.227 1.00 0.00 O ATOM 349 CG2 THR A 25 -10.168 7.456 10.184 1.00 0.00 C ATOM 0 H THR A 25 -10.099 11.903 10.523 1.00 0.00 H new ATOM 0 HA THR A 25 -9.702 9.660 8.802 1.00 0.00 H new ATOM 0 HB THR A 25 -10.588 9.007 11.583 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.945 8.954 10.468 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.982 6.695 10.942 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.208 7.400 9.862 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.514 7.284 9.329 1.00 0.00 H new ATOM 357 N ASP A 26 -12.181 9.602 8.525 1.00 0.00 N ATOM 358 CA ASP A 26 -13.602 9.737 8.235 1.00 0.00 C ATOM 359 C ASP A 26 -14.064 8.623 7.297 1.00 0.00 C ATOM 360 O ASP A 26 -13.538 7.510 7.343 1.00 0.00 O ATOM 361 CB ASP A 26 -13.880 11.115 7.624 1.00 0.00 C ATOM 362 CG ASP A 26 -15.215 11.684 8.063 1.00 0.00 C ATOM 363 OD1 ASP A 26 -16.083 10.897 8.495 1.00 0.00 O ATOM 364 OD2 ASP A 26 -15.392 12.917 7.976 1.00 0.00 O ATOM 0 H ASP A 26 -11.666 9.035 7.851 1.00 0.00 H new ATOM 0 HA ASP A 26 -14.164 9.649 9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.084 11.803 7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.861 11.038 6.537 1.00 0.00 H new ATOM 369 N ALA A 27 -15.045 8.916 6.446 1.00 0.00 N ATOM 370 CA ALA A 27 -15.557 7.922 5.508 1.00 0.00 C ATOM 371 C ALA A 27 -14.719 7.870 4.233 1.00 0.00 C ATOM 372 O ALA A 27 -15.045 7.139 3.297 1.00 0.00 O ATOM 373 CB ALA A 27 -17.013 8.211 5.176 1.00 0.00 C ATOM 0 H ALA A 27 -15.498 9.828 6.387 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.490 6.945 5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.382 7.462 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.608 8.178 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.094 9.200 4.725 1.00 0.00 H new ATOM 379 N SER A 28 -13.634 8.637 4.204 1.00 0.00 N ATOM 380 CA SER A 28 -12.749 8.662 3.047 1.00 0.00 C ATOM 381 C SER A 28 -11.543 7.761 3.287 1.00 0.00 C ATOM 382 O SER A 28 -10.969 7.211 2.348 1.00 0.00 O ATOM 383 CB SER A 28 -12.287 10.090 2.763 1.00 0.00 C ATOM 384 OG SER A 28 -11.866 10.231 1.417 1.00 0.00 O ATOM 0 H SER A 28 -13.347 9.249 4.968 1.00 0.00 H new ATOM 0 HA SER A 28 -13.299 8.293 2.181 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.100 10.786 2.968 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.468 10.351 3.433 1.00 0.00 H new ATOM 0 HG SER A 28 -12.033 11.149 1.117 1.00 0.00 H new ATOM 390 N GLY A 29 -11.173 7.612 4.555 1.00 0.00 N ATOM 391 CA GLY A 29 -10.046 6.775 4.907 1.00 0.00 C ATOM 392 C GLY A 29 -9.224 7.356 6.042 1.00 0.00 C ATOM 393 O GLY A 29 -9.745 7.603 7.129 1.00 0.00 O ATOM 0 H GLY A 29 -11.637 8.059 5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.406 5.787 5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.409 6.642 4.032 1.00 0.00 H new ATOM 397 N GLN A 30 -7.936 7.570 5.791 1.00 0.00 N ATOM 398 CA GLN A 30 -7.043 8.121 6.804 1.00 0.00 C ATOM 399 C GLN A 30 -6.118 9.178 6.209 1.00 0.00 C ATOM 400 O GLN A 30 -5.557 8.990 5.130 1.00 0.00 O ATOM 401 CB GLN A 30 -6.210 7.004 7.435 1.00 0.00 C ATOM 402 CG GLN A 30 -7.043 5.847 7.962 1.00 0.00 C ATOM 403 CD GLN A 30 -6.221 4.851 8.755 1.00 0.00 C ATOM 404 OE1 GLN A 30 -5.900 3.766 8.270 1.00 0.00 O ATOM 405 NE2 GLN A 30 -5.877 5.214 9.985 1.00 0.00 N ATOM 0 H GLN A 30 -7.488 7.371 4.896 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.657 8.594 7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.505 6.626 6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.621 7.419 8.253 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.842 6.237 8.593 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.518 5.336 7.125 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.164 6.123 10.348 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.325 4.584 10.567 1.00 0.00 H new ATOM 414 N TRP A 31 -5.957 10.285 6.926 1.00 0.00 N ATOM 415 CA TRP A 31 -5.089 11.369 6.475 1.00 0.00 C ATOM 416 C TRP A 31 -4.100 11.753 7.567 1.00 0.00 C ATOM 417 O TRP A 31 -4.286 11.411 8.732 1.00 0.00 O ATOM 418 CB TRP A 31 -5.910 12.596 6.075 1.00 0.00 C ATOM 419 CG TRP A 31 -7.207 12.265 5.408 1.00 0.00 C ATOM 420 CD1 TRP A 31 -8.311 11.714 5.989 1.00 0.00 C ATOM 421 CD2 TRP A 31 -7.533 12.466 4.031 1.00 0.00 C ATOM 422 NE1 TRP A 31 -9.309 11.565 5.057 1.00 0.00 N ATOM 423 CE2 TRP A 31 -8.854 12.020 3.845 1.00 0.00 C ATOM 424 CE3 TRP A 31 -6.834 12.983 2.936 1.00 0.00 C ATOM 425 CZ2 TRP A 31 -9.490 12.078 2.606 1.00 0.00 C ATOM 426 CZ3 TRP A 31 -7.465 13.037 1.709 1.00 0.00 C ATOM 427 CH2 TRP A 31 -8.782 12.588 1.553 1.00 0.00 C ATOM 0 H TRP A 31 -6.415 10.456 7.821 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.540 11.013 5.603 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.112 13.192 6.965 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.315 13.216 5.404 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.389 11.436 7.030 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -10.236 11.179 5.236 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.819 13.334 3.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -10.506 11.732 2.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.934 13.432 0.856 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -9.249 12.646 0.581 1.00 0.00 H new ATOM 438 N GLY A 32 -3.052 12.468 7.180 1.00 0.00 N ATOM 439 CA GLY A 32 -2.045 12.891 8.127 1.00 0.00 C ATOM 440 C GLY A 32 -1.034 13.823 7.494 1.00 0.00 C ATOM 441 O GLY A 32 -0.837 13.799 6.280 1.00 0.00 O ATOM 0 H GLY A 32 -2.883 12.763 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.525 13.392 8.968 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.532 12.016 8.527 1.00 0.00 H new ATOM 445 N VAL A 33 -0.396 14.647 8.313 1.00 0.00 N ATOM 446 CA VAL A 33 0.595 15.589 7.814 1.00 0.00 C ATOM 447 C VAL A 33 2.010 15.106 8.112 1.00 0.00 C ATOM 448 O VAL A 33 2.512 15.260 9.225 1.00 0.00 O ATOM 449 CB VAL A 33 0.384 16.995 8.419 1.00 0.00 C ATOM 450 CG1 VAL A 33 0.177 16.906 9.923 1.00 0.00 C ATOM 451 CG2 VAL A 33 1.551 17.915 8.085 1.00 0.00 C ATOM 0 H VAL A 33 -0.546 14.682 9.321 1.00 0.00 H new ATOM 0 HA VAL A 33 0.466 15.652 6.733 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.515 17.422 7.975 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.030 17.906 10.330 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.701 16.296 10.134 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.054 16.452 10.385 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.376 18.898 8.523 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.472 17.496 8.490 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.641 18.011 7.003 1.00 0.00 H new ATOM 461 N GLN A 34 2.655 14.535 7.100 1.00 0.00 N ATOM 462 CA GLN A 34 4.017 14.043 7.241 1.00 0.00 C ATOM 463 C GLN A 34 4.978 14.946 6.480 1.00 0.00 C ATOM 464 O GLN A 34 4.733 15.289 5.325 1.00 0.00 O ATOM 465 CB GLN A 34 4.130 12.605 6.728 1.00 0.00 C ATOM 466 CG GLN A 34 5.494 11.979 6.973 1.00 0.00 C ATOM 467 CD GLN A 34 5.401 10.544 7.454 1.00 0.00 C ATOM 468 OE1 GLN A 34 5.335 10.281 8.655 1.00 0.00 O ATOM 469 NE2 GLN A 34 5.398 9.606 6.514 1.00 0.00 N ATOM 0 H GLN A 34 2.253 14.402 6.172 1.00 0.00 H new ATOM 0 HA GLN A 34 4.279 14.052 8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.367 11.994 7.211 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.920 12.592 5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.075 12.012 6.052 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.034 12.571 7.712 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.454 9.870 5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.339 8.622 6.776 1.00 0.00 H new ATOM 478 N ASN A 35 6.065 15.337 7.134 1.00 0.00 N ATOM 479 CA ASN A 35 7.050 16.210 6.510 1.00 0.00 C ATOM 480 C ASN A 35 6.425 17.557 6.162 1.00 0.00 C ATOM 481 O ASN A 35 6.815 18.202 5.189 1.00 0.00 O ATOM 482 CB ASN A 35 7.620 15.554 5.251 1.00 0.00 C ATOM 483 CG ASN A 35 8.713 14.552 5.561 1.00 0.00 C ATOM 484 OD1 ASN A 35 9.594 14.810 6.381 1.00 0.00 O ATOM 485 ND2 ASN A 35 8.659 13.401 4.903 1.00 0.00 N ATOM 0 H ASN A 35 6.286 15.065 8.092 1.00 0.00 H new ATOM 0 HA ASN A 35 7.862 16.375 7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.816 15.054 4.710 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.016 16.326 4.591 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.367 12.686 5.068 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.909 13.232 4.232 1.00 0.00 H new ATOM 492 N GLY A 36 5.446 17.972 6.962 1.00 0.00 N ATOM 493 CA GLY A 36 4.776 19.237 6.723 1.00 0.00 C ATOM 494 C GLY A 36 4.054 19.262 5.391 1.00 0.00 C ATOM 495 O GLY A 36 4.160 20.229 4.638 1.00 0.00 O ATOM 0 H GLY A 36 5.105 17.454 7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.062 19.425 7.525 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.508 20.044 6.753 1.00 0.00 H new ATOM 499 N GLN A 37 3.323 18.191 5.098 1.00 0.00 N ATOM 500 CA GLN A 37 2.586 18.090 3.843 1.00 0.00 C ATOM 501 C GLN A 37 1.373 17.175 3.990 1.00 0.00 C ATOM 502 O GLN A 37 1.492 16.047 4.470 1.00 0.00 O ATOM 503 CB GLN A 37 3.502 17.559 2.737 1.00 0.00 C ATOM 504 CG GLN A 37 4.653 18.492 2.396 1.00 0.00 C ATOM 505 CD GLN A 37 4.182 19.821 1.837 1.00 0.00 C ATOM 506 OE1 GLN A 37 4.607 20.884 2.290 1.00 0.00 O ATOM 507 NE2 GLN A 37 3.300 19.768 0.845 1.00 0.00 N ATOM 0 H GLN A 37 3.225 17.382 5.711 1.00 0.00 H new ATOM 0 HA GLN A 37 2.235 19.087 3.577 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.907 16.595 3.044 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.909 17.384 1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.249 18.670 3.291 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.305 18.007 1.670 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.974 18.865 0.500 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.949 20.630 0.428 1.00 0.00 H new ATOM 516 N TRP A 38 0.208 17.662 3.570 1.00 0.00 N ATOM 517 CA TRP A 38 -1.019 16.877 3.650 1.00 0.00 C ATOM 518 C TRP A 38 -0.956 15.694 2.694 1.00 0.00 C ATOM 519 O TRP A 38 -0.489 15.826 1.562 1.00 0.00 O ATOM 520 CB TRP A 38 -2.235 17.744 3.313 1.00 0.00 C ATOM 521 CG TRP A 38 -2.663 18.640 4.433 1.00 0.00 C ATOM 522 CD1 TRP A 38 -2.528 19.996 4.488 1.00 0.00 C ATOM 523 CD2 TRP A 38 -3.299 18.247 5.655 1.00 0.00 C ATOM 524 NE1 TRP A 38 -3.037 20.473 5.672 1.00 0.00 N ATOM 525 CE2 TRP A 38 -3.516 19.419 6.406 1.00 0.00 C ATOM 526 CE3 TRP A 38 -3.703 17.021 6.189 1.00 0.00 C ATOM 527 CZ2 TRP A 38 -4.121 19.398 7.660 1.00 0.00 C ATOM 528 CZ3 TRP A 38 -4.304 17.001 7.434 1.00 0.00 C ATOM 529 CH2 TRP A 38 -4.508 18.184 8.157 1.00 0.00 C ATOM 0 H TRP A 38 0.089 18.594 3.172 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.119 16.507 4.670 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -2.005 18.354 2.439 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.068 17.096 3.039 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.086 20.606 3.714 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.055 21.452 5.958 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.549 16.105 5.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.279 20.308 8.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.621 16.059 7.856 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.981 18.136 9.127 1.00 0.00 H new ATOM 540 N CYS A 39 -1.424 14.539 3.148 1.00 0.00 N ATOM 541 CA CYS A 39 -1.413 13.341 2.319 1.00 0.00 C ATOM 542 C CYS A 39 -2.109 12.178 3.016 1.00 0.00 C ATOM 543 O CYS A 39 -1.927 11.956 4.212 1.00 0.00 O ATOM 544 CB CYS A 39 0.025 12.947 1.963 1.00 0.00 C ATOM 545 SG CYS A 39 1.276 13.431 3.201 1.00 0.00 S ATOM 0 H CYS A 39 -1.814 14.406 4.081 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.959 13.569 1.404 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.068 11.867 1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.285 13.400 1.007 1.00 0.00 H new ATOM 550 N GLY A 40 -2.906 11.433 2.254 1.00 0.00 N ATOM 551 CA GLY A 40 -3.614 10.297 2.811 1.00 0.00 C ATOM 552 C GLY A 40 -2.681 9.153 3.150 1.00 0.00 C ATOM 553 O GLY A 40 -1.557 9.094 2.653 1.00 0.00 O ATOM 0 H GLY A 40 -3.073 11.597 1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.147 10.608 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.364 9.953 2.099 1.00 0.00 H new ATOM 557 N ILE A 41 -3.141 8.243 4.002 1.00 0.00 N ATOM 558 CA ILE A 41 -2.330 7.103 4.405 1.00 0.00 C ATOM 559 C ILE A 41 -2.719 5.847 3.632 1.00 0.00 C ATOM 560 O ILE A 41 -3.665 5.147 3.994 1.00 0.00 O ATOM 561 CB ILE A 41 -2.443 6.849 5.928 1.00 0.00 C ATOM 562 CG1 ILE A 41 -1.525 7.808 6.679 1.00 0.00 C ATOM 563 CG2 ILE A 41 -2.110 5.407 6.282 1.00 0.00 C ATOM 564 CD1 ILE A 41 -1.944 9.251 6.543 1.00 0.00 C ATOM 0 H ILE A 41 -4.069 8.273 4.425 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.293 7.343 4.170 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.476 7.028 6.227 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.511 7.537 7.735 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.507 7.694 6.307 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.200 5.267 7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.801 4.738 5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.090 5.182 5.971 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.253 9.885 7.099 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.931 9.536 5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.951 9.377 6.941 1.00 0.00 H new ATOM 576 N ASP A 42 -1.970 5.564 2.572 1.00 0.00 N ATOM 577 CA ASP A 42 -2.217 4.388 1.750 1.00 0.00 C ATOM 578 C ASP A 42 -0.995 3.484 1.743 1.00 0.00 C ATOM 579 O ASP A 42 -0.091 3.656 0.929 1.00 0.00 O ATOM 580 CB ASP A 42 -2.565 4.792 0.316 1.00 0.00 C ATOM 581 CG ASP A 42 -3.688 3.954 -0.260 1.00 0.00 C ATOM 582 OD1 ASP A 42 -3.734 3.790 -1.498 1.00 0.00 O ATOM 583 OD2 ASP A 42 -4.524 3.461 0.527 1.00 0.00 O ATOM 0 H ASP A 42 -1.184 6.136 2.262 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.062 3.848 2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.852 5.843 0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.680 4.691 -0.313 1.00 0.00 H new ATOM 588 N TYR A 43 -0.968 2.518 2.652 1.00 0.00 N ATOM 589 CA TYR A 43 0.155 1.590 2.740 1.00 0.00 C ATOM 590 C TYR A 43 0.508 1.029 1.362 1.00 0.00 C ATOM 591 O TYR A 43 1.648 0.636 1.115 1.00 0.00 O ATOM 592 CB TYR A 43 -0.164 0.459 3.719 1.00 0.00 C ATOM 593 CG TYR A 43 -0.574 0.942 5.099 1.00 0.00 C ATOM 594 CD1 TYR A 43 -1.161 0.073 6.011 1.00 0.00 C ATOM 595 CD2 TYR A 43 -0.372 2.263 5.491 1.00 0.00 C ATOM 596 CE1 TYR A 43 -1.535 0.505 7.270 1.00 0.00 C ATOM 597 CE2 TYR A 43 -0.744 2.701 6.749 1.00 0.00 C ATOM 598 CZ TYR A 43 -1.325 1.819 7.633 1.00 0.00 C ATOM 599 OH TYR A 43 -1.697 2.249 8.886 1.00 0.00 O ATOM 0 H TYR A 43 -1.707 2.356 3.337 1.00 0.00 H new ATOM 0 HA TYR A 43 1.022 2.136 3.113 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.966 -0.152 3.305 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.711 -0.184 3.814 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.328 -0.957 5.732 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.083 2.958 4.801 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.990 -0.184 7.967 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.580 3.729 7.037 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.270 1.574 9.307 1.00 0.00 H new ATOM 609 N SER A 44 -0.475 1.015 0.462 1.00 0.00 N ATOM 610 CA SER A 44 -0.266 0.526 -0.895 1.00 0.00 C ATOM 611 C SER A 44 -0.410 1.659 -1.900 1.00 0.00 C ATOM 612 O SER A 44 -1.129 1.530 -2.892 1.00 0.00 O ATOM 613 CB SER A 44 -1.266 -0.574 -1.241 1.00 0.00 C ATOM 614 OG SER A 44 -0.954 -1.785 -0.575 1.00 0.00 O ATOM 0 H SER A 44 -1.424 1.338 0.651 1.00 0.00 H new ATOM 0 HA SER A 44 0.744 0.119 -0.944 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.271 -0.254 -0.965 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.268 -0.740 -2.318 1.00 0.00 H new ATOM 0 HG SER A 44 -0.303 -2.291 -1.104 1.00 0.00 H new ATOM 620 N TYR A 45 0.266 2.771 -1.646 1.00 0.00 N ATOM 621 CA TYR A 45 0.186 3.903 -2.542 1.00 0.00 C ATOM 622 C TYR A 45 1.312 3.856 -3.571 1.00 0.00 C ATOM 623 O TYR A 45 2.492 3.915 -3.224 1.00 0.00 O ATOM 624 CB TYR A 45 0.245 5.218 -1.751 1.00 0.00 C ATOM 625 CG TYR A 45 1.495 6.008 -2.028 1.00 0.00 C ATOM 626 CD1 TYR A 45 2.573 5.969 -1.160 1.00 0.00 C ATOM 627 CD2 TYR A 45 1.610 6.753 -3.188 1.00 0.00 C ATOM 628 CE1 TYR A 45 3.733 6.655 -1.442 1.00 0.00 C ATOM 629 CE2 TYR A 45 2.759 7.446 -3.478 1.00 0.00 C ATOM 630 CZ TYR A 45 3.826 7.394 -2.604 1.00 0.00 C ATOM 631 OH TYR A 45 4.982 8.081 -2.891 1.00 0.00 O ATOM 0 H TYR A 45 0.868 2.908 -0.834 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.767 3.854 -3.069 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.626 5.825 -1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.188 4.999 -0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.503 5.393 -0.249 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.780 6.790 -3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.567 6.615 -0.757 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.828 8.029 -4.385 1.00 0.00 H new ATOM 0 HH TYR A 45 4.881 8.548 -3.746 1.00 0.00 H new ATOM 743 N CYS A 54 4.055 -5.809 2.199 1.00 0.00 N ATOM 744 CA CYS A 54 2.851 -6.571 2.513 1.00 0.00 C ATOM 745 C CYS A 54 2.172 -6.035 3.770 1.00 0.00 C ATOM 746 O CYS A 54 2.665 -5.105 4.407 1.00 0.00 O ATOM 747 CB CYS A 54 3.184 -8.055 2.689 1.00 0.00 C ATOM 748 SG CYS A 54 4.624 -8.384 3.759 1.00 0.00 S ATOM 0 HA CYS A 54 2.160 -6.460 1.677 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.314 -8.563 3.105 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.369 -8.492 1.708 1.00 0.00 H new ATOM 753 N THR A 55 1.040 -6.635 4.124 1.00 0.00 N ATOM 754 CA THR A 55 0.293 -6.236 5.302 1.00 0.00 C ATOM 755 C THR A 55 0.759 -7.038 6.503 1.00 0.00 C ATOM 756 O THR A 55 1.145 -8.200 6.371 1.00 0.00 O ATOM 757 CB THR A 55 -1.207 -6.431 5.077 1.00 0.00 C ATOM 758 OG1 THR A 55 -1.628 -5.767 3.899 1.00 0.00 O ATOM 759 CG2 THR A 55 -2.057 -5.918 6.220 1.00 0.00 C ATOM 0 H THR A 55 0.621 -7.406 3.604 1.00 0.00 H new ATOM 0 HA THR A 55 0.474 -5.178 5.492 1.00 0.00 H new ATOM 0 HB THR A 55 -1.348 -7.509 4.996 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.451 -6.337 3.121 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.110 -6.088 5.995 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.792 -6.446 7.136 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.882 -4.850 6.353 1.00 0.00 H new ATOM 767 N GLY A 56 0.739 -6.417 7.668 1.00 0.00 N ATOM 768 CA GLY A 56 1.183 -7.096 8.864 1.00 0.00 C ATOM 769 C GLY A 56 2.589 -6.688 9.254 1.00 0.00 C ATOM 770 O GLY A 56 3.181 -7.257 10.169 1.00 0.00 O ATOM 0 H GLY A 56 0.424 -5.457 7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.500 -6.873 9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.148 -8.174 8.704 1.00 0.00 H new ATOM 774 N ASN A 57 3.127 -5.689 8.565 1.00 0.00 N ATOM 775 CA ASN A 57 4.472 -5.211 8.862 1.00 0.00 C ATOM 776 C ASN A 57 4.473 -4.311 10.098 1.00 0.00 C ATOM 777 O ASN A 57 5.495 -3.720 10.444 1.00 0.00 O ATOM 778 CB ASN A 57 5.040 -4.445 7.669 1.00 0.00 C ATOM 779 CG ASN A 57 4.994 -5.248 6.386 1.00 0.00 C ATOM 780 OD1 ASN A 57 4.919 -6.476 6.411 1.00 0.00 O ATOM 781 ND2 ASN A 57 5.039 -4.556 5.255 1.00 0.00 N ATOM 0 H ASN A 57 2.658 -5.198 7.804 1.00 0.00 H new ATOM 0 HA ASN A 57 5.099 -6.080 9.063 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.479 -3.520 7.535 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.072 -4.164 7.880 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.012 -5.042 4.358 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.101 -3.538 5.282 1.00 0.00 H new ATOM 788 N GLY A 58 3.325 -4.221 10.769 1.00 0.00 N ATOM 789 CA GLY A 58 3.223 -3.407 11.962 1.00 0.00 C ATOM 790 C GLY A 58 2.345 -4.049 13.019 1.00 0.00 C ATOM 791 O GLY A 58 1.855 -3.371 13.921 1.00 0.00 O ATOM 0 H GLY A 58 2.464 -4.700 10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.219 -3.239 12.372 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.818 -2.430 11.700 1.00 0.00 H new ATOM 795 N SER A 59 2.140 -5.361 12.904 1.00 0.00 N ATOM 796 CA SER A 59 1.308 -6.086 13.860 1.00 0.00 C ATOM 797 C SER A 59 1.599 -7.587 13.837 1.00 0.00 C ATOM 798 O SER A 59 2.090 -8.147 14.817 1.00 0.00 O ATOM 799 CB SER A 59 -0.172 -5.841 13.561 1.00 0.00 C ATOM 800 OG SER A 59 -0.453 -4.455 13.477 1.00 0.00 O ATOM 0 H SER A 59 2.536 -5.939 12.163 1.00 0.00 H new ATOM 0 HA SER A 59 1.547 -5.712 14.856 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.442 -6.327 12.624 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.784 -6.292 14.342 1.00 0.00 H new ATOM 0 HG SER A 59 0.217 -3.954 13.987 1.00 0.00 H new ATOM 806 N TYR A 60 1.282 -8.237 12.719 1.00 0.00 N ATOM 807 CA TYR A 60 1.500 -9.678 12.581 1.00 0.00 C ATOM 808 C TYR A 60 2.162 -10.011 11.244 1.00 0.00 C ATOM 809 O TYR A 60 2.108 -9.225 10.306 1.00 0.00 O ATOM 810 CB TYR A 60 0.176 -10.450 12.711 1.00 0.00 C ATOM 811 CG TYR A 60 -1.034 -9.579 12.990 1.00 0.00 C ATOM 812 CD1 TYR A 60 -1.416 -8.577 12.105 1.00 0.00 C ATOM 813 CD2 TYR A 60 -1.797 -9.765 14.137 1.00 0.00 C ATOM 814 CE1 TYR A 60 -2.520 -7.786 12.355 1.00 0.00 C ATOM 815 CE2 TYR A 60 -2.904 -8.978 14.393 1.00 0.00 C ATOM 816 CZ TYR A 60 -3.260 -7.990 13.500 1.00 0.00 C ATOM 817 OH TYR A 60 -4.361 -7.204 13.753 1.00 0.00 O ATOM 0 H TYR A 60 0.874 -7.791 11.897 1.00 0.00 H new ATOM 0 HA TYR A 60 2.167 -9.984 13.386 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.003 -11.007 11.790 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.274 -11.182 13.513 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.839 -8.414 11.206 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.520 -10.537 14.840 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.802 -7.012 11.657 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.487 -9.136 15.288 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.771 -7.478 14.600 1.00 0.00 H new ATOM 827 N PRO A 61 2.789 -11.196 11.139 1.00 0.00 N ATOM 828 CA PRO A 61 3.461 -11.635 9.909 1.00 0.00 C ATOM 829 C PRO A 61 2.568 -11.511 8.678 1.00 0.00 C ATOM 830 O PRO A 61 1.346 -11.441 8.790 1.00 0.00 O ATOM 831 CB PRO A 61 3.796 -13.111 10.182 1.00 0.00 C ATOM 832 CG PRO A 61 3.028 -13.476 11.410 1.00 0.00 C ATOM 833 CD PRO A 61 2.888 -12.207 12.197 1.00 0.00 C ATOM 0 HA PRO A 61 4.334 -11.021 9.689 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.510 -13.740 9.339 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.867 -13.249 10.334 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.051 -13.886 11.153 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.552 -14.238 11.987 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.003 -12.218 12.834 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.746 -12.034 12.847 1.00 0.00 H new ATOM 841 N CYS A 62 3.190 -11.491 7.500 1.00 0.00 N ATOM 842 CA CYS A 62 2.451 -11.380 6.247 1.00 0.00 C ATOM 843 C CYS A 62 1.948 -12.751 5.801 1.00 0.00 C ATOM 844 O CYS A 62 2.546 -13.776 6.126 1.00 0.00 O ATOM 845 CB CYS A 62 3.330 -10.755 5.163 1.00 0.00 C ATOM 846 SG CYS A 62 3.802 -9.026 5.501 1.00 0.00 S ATOM 0 H CYS A 62 4.202 -11.550 7.389 1.00 0.00 H new ATOM 0 HA CYS A 62 1.589 -10.732 6.410 1.00 0.00 H new ATOM 0 HB2 CYS A 62 4.234 -11.353 5.052 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.801 -10.798 4.211 1.00 0.00 H new ATOM 851 N CYS A 63 0.835 -12.765 5.072 1.00 0.00 N ATOM 852 CA CYS A 63 0.246 -14.016 4.605 1.00 0.00 C ATOM 853 C CYS A 63 1.027 -14.613 3.441 1.00 0.00 C ATOM 854 O CYS A 63 1.780 -15.567 3.622 1.00 0.00 O ATOM 855 CB CYS A 63 -1.210 -13.796 4.183 1.00 0.00 C ATOM 856 SG CYS A 63 -2.355 -13.451 5.557 1.00 0.00 S ATOM 0 H CYS A 63 0.325 -11.927 4.793 1.00 0.00 H new ATOM 0 HA CYS A 63 0.286 -14.720 5.436 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.249 -12.965 3.478 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.558 -14.682 3.651 1.00 0.00 H new ATOM 861 N ASN A 64 0.805 -14.047 2.249 1.00 0.00 N ATOM 862 CA ASN A 64 1.430 -14.486 0.988 1.00 0.00 C ATOM 863 C ASN A 64 0.349 -14.897 -0.012 1.00 0.00 C ATOM 864 O ASN A 64 0.643 -15.215 -1.165 1.00 0.00 O ATOM 865 CB ASN A 64 2.432 -15.642 1.183 1.00 0.00 C ATOM 866 CG ASN A 64 1.768 -16.991 1.424 1.00 0.00 C ATOM 867 OD1 ASN A 64 0.813 -17.362 0.742 1.00 0.00 O ATOM 868 ND2 ASN A 64 2.279 -17.735 2.397 1.00 0.00 N ATOM 0 H ASN A 64 0.174 -13.255 2.128 1.00 0.00 H new ATOM 0 HA ASN A 64 1.996 -13.638 0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 64 3.069 -15.712 0.301 1.00 0.00 H new ATOM 0 HB3 ASN A 64 3.081 -15.410 2.027 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.879 -18.651 2.602 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.071 -17.391 2.939 1.00 0.00 H new ATOM 875 N THR A 65 -0.904 -14.892 0.444 1.00 0.00 N ATOM 876 CA THR A 65 -2.035 -15.264 -0.394 1.00 0.00 C ATOM 877 C THR A 65 -2.897 -14.049 -0.714 1.00 0.00 C ATOM 878 O THR A 65 -3.121 -13.200 0.148 1.00 0.00 O ATOM 879 CB THR A 65 -2.888 -16.312 0.327 1.00 0.00 C ATOM 880 OG1 THR A 65 -3.889 -16.824 -0.536 1.00 0.00 O ATOM 881 CG2 THR A 65 -3.581 -15.771 1.568 1.00 0.00 C ATOM 0 H THR A 65 -1.158 -14.632 1.397 1.00 0.00 H new ATOM 0 HA THR A 65 -1.649 -15.675 -1.327 1.00 0.00 H new ATOM 0 HB THR A 65 -2.191 -17.094 0.631 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.422 -17.493 -0.058 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.169 -16.564 2.031 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.833 -15.413 2.275 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.239 -14.948 1.288 1.00 0.00 H new ATOM 889 N CYS A 66 -3.407 -13.978 -1.939 1.00 0.00 N ATOM 890 CA CYS A 66 -4.270 -12.870 -2.320 1.00 0.00 C ATOM 891 C CYS A 66 -5.710 -13.203 -1.942 1.00 0.00 C ATOM 892 O CYS A 66 -6.606 -13.245 -2.785 1.00 0.00 O ATOM 893 CB CYS A 66 -4.159 -12.547 -3.817 1.00 0.00 C ATOM 894 SG CYS A 66 -5.402 -11.350 -4.407 1.00 0.00 S ATOM 0 H CYS A 66 -3.240 -14.665 -2.674 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.947 -11.979 -1.781 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.163 -12.153 -4.021 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.259 -13.471 -4.387 1.00 0.00 H new ATOM 0 HG CYS A 66 -6.557 -11.628 -3.879 1.00 0.00 H new ATOM 899 N GLN A 67 -5.912 -13.437 -0.655 1.00 0.00 N ATOM 900 CA GLN A 67 -7.223 -13.765 -0.122 1.00 0.00 C ATOM 901 C GLN A 67 -7.363 -13.144 1.260 1.00 0.00 C ATOM 902 O GLN A 67 -6.992 -13.746 2.263 1.00 0.00 O ATOM 903 CB GLN A 67 -7.401 -15.289 -0.064 1.00 0.00 C ATOM 904 CG GLN A 67 -8.483 -15.767 0.898 1.00 0.00 C ATOM 905 CD GLN A 67 -7.932 -16.638 2.012 1.00 0.00 C ATOM 906 OE1 GLN A 67 -8.556 -17.620 2.412 1.00 0.00 O ATOM 907 NE2 GLN A 67 -6.756 -16.282 2.521 1.00 0.00 N ATOM 0 H GLN A 67 -5.173 -13.405 0.047 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.001 -13.363 -0.771 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.637 -15.652 -1.064 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.452 -15.741 0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.985 -14.903 1.333 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.236 -16.327 0.343 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.272 -15.460 2.160 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.338 -16.831 3.272 1.00 0.00 H new ATOM 916 N ALA A 68 -7.888 -11.928 1.298 1.00 0.00 N ATOM 917 CA ALA A 68 -8.064 -11.213 2.546 1.00 0.00 C ATOM 918 C ALA A 68 -9.462 -11.410 3.096 1.00 0.00 C ATOM 919 O ALA A 68 -10.383 -10.653 2.792 1.00 0.00 O ATOM 920 CB ALA A 68 -7.769 -9.740 2.357 1.00 0.00 C ATOM 0 H ALA A 68 -8.200 -11.417 0.472 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.359 -11.619 3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.906 -9.217 3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.740 -9.615 2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.448 -9.326 1.612 1.00 0.00 H new ATOM 926 N THR A 69 -9.602 -12.439 3.903 1.00 0.00 N ATOM 927 CA THR A 69 -10.882 -12.769 4.514 1.00 0.00 C ATOM 928 C THR A 69 -11.401 -11.614 5.372 1.00 0.00 C ATOM 929 O THR A 69 -12.593 -11.547 5.671 1.00 0.00 O ATOM 930 CB THR A 69 -10.749 -14.036 5.364 1.00 0.00 C ATOM 931 OG1 THR A 69 -11.696 -14.045 6.420 1.00 0.00 O ATOM 932 CG2 THR A 69 -9.376 -14.193 5.976 1.00 0.00 C ATOM 0 H THR A 69 -8.841 -13.070 4.156 1.00 0.00 H new ATOM 0 HA THR A 69 -11.601 -12.946 3.714 1.00 0.00 H new ATOM 0 HB THR A 69 -10.927 -14.864 4.678 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.591 -14.865 6.947 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.343 -15.109 6.567 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.629 -14.245 5.184 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.164 -13.339 6.619 1.00 0.00 H new ATOM 940 N TYR A 70 -10.511 -10.704 5.768 1.00 0.00 N ATOM 941 CA TYR A 70 -10.915 -9.569 6.586 1.00 0.00 C ATOM 942 C TYR A 70 -9.990 -8.376 6.370 1.00 0.00 C ATOM 943 O TYR A 70 -8.782 -8.535 6.209 1.00 0.00 O ATOM 944 CB TYR A 70 -10.952 -9.968 8.069 1.00 0.00 C ATOM 945 CG TYR A 70 -9.674 -9.690 8.837 1.00 0.00 C ATOM 946 CD1 TYR A 70 -9.303 -8.390 9.157 1.00 0.00 C ATOM 947 CD2 TYR A 70 -8.847 -10.727 9.249 1.00 0.00 C ATOM 948 CE1 TYR A 70 -8.144 -8.130 9.863 1.00 0.00 C ATOM 949 CE2 TYR A 70 -7.686 -10.477 9.956 1.00 0.00 C ATOM 950 CZ TYR A 70 -7.340 -9.177 10.260 1.00 0.00 C ATOM 951 OH TYR A 70 -6.184 -8.923 10.965 1.00 0.00 O ATOM 0 H TYR A 70 -9.518 -10.732 5.537 1.00 0.00 H new ATOM 0 HA TYR A 70 -11.918 -9.270 6.281 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.772 -9.437 8.553 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.176 -11.032 8.138 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.932 -7.568 8.848 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.116 -11.746 9.013 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.870 -7.113 10.102 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.054 -11.295 10.269 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.532 -8.486 10.378 1.00 0.00 H new ATOM 961 N THR A 71 -10.568 -7.182 6.382 1.00 0.00 N ATOM 962 CA THR A 71 -9.800 -5.957 6.203 1.00 0.00 C ATOM 963 C THR A 71 -10.019 -5.021 7.383 1.00 0.00 C ATOM 964 O THR A 71 -11.141 -4.858 7.861 1.00 0.00 O ATOM 965 CB THR A 71 -10.192 -5.257 4.902 1.00 0.00 C ATOM 966 OG1 THR A 71 -9.909 -6.081 3.785 1.00 0.00 O ATOM 967 CG2 THR A 71 -9.476 -3.938 4.695 1.00 0.00 C ATOM 0 H THR A 71 -11.569 -7.036 6.514 1.00 0.00 H new ATOM 0 HA THR A 71 -8.744 -6.221 6.149 1.00 0.00 H new ATOM 0 HB THR A 71 -11.261 -5.062 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.168 -5.617 2.962 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.799 -3.493 3.754 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.713 -3.262 5.517 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.400 -4.109 4.665 1.00 0.00 H new ATOM 975 N ASP A 72 -8.940 -4.407 7.847 1.00 0.00 N ATOM 976 CA ASP A 72 -9.014 -3.487 8.970 1.00 0.00 C ATOM 977 C ASP A 72 -8.493 -2.111 8.578 1.00 0.00 C ATOM 978 O ASP A 72 -8.315 -1.818 7.395 1.00 0.00 O ATOM 979 CB ASP A 72 -8.221 -4.033 10.160 1.00 0.00 C ATOM 980 CG ASP A 72 -8.933 -3.811 11.480 1.00 0.00 C ATOM 981 OD1 ASP A 72 -10.181 -3.854 11.497 1.00 0.00 O ATOM 982 OD2 ASP A 72 -8.241 -3.594 12.498 1.00 0.00 O ATOM 0 H ASP A 72 -8.003 -4.530 7.462 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.060 -3.388 9.260 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.048 -5.100 10.019 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.243 -3.553 10.193 1.00 0.00 H new ATOM 987 N GLY A 73 -8.252 -1.270 9.576 1.00 0.00 N ATOM 988 CA GLY A 73 -7.755 0.066 9.316 1.00 0.00 C ATOM 989 C GLY A 73 -6.306 0.086 8.858 1.00 0.00 C ATOM 990 O GLY A 73 -5.732 1.158 8.669 1.00 0.00 O ATOM 0 H GLY A 73 -8.392 -1.490 10.562 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.377 0.536 8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.852 0.665 10.221 1.00 0.00 H new ATOM 994 N ASP A 74 -5.706 -1.090 8.673 1.00 0.00 N ATOM 995 CA ASP A 74 -4.319 -1.167 8.231 1.00 0.00 C ATOM 996 C ASP A 74 -4.198 -1.927 6.911 1.00 0.00 C ATOM 997 O ASP A 74 -3.094 -2.246 6.470 1.00 0.00 O ATOM 998 CB ASP A 74 -3.457 -1.839 9.302 1.00 0.00 C ATOM 999 CG ASP A 74 -2.897 -0.845 10.300 1.00 0.00 C ATOM 1000 OD1 ASP A 74 -1.811 -1.112 10.857 1.00 0.00 O ATOM 1001 OD2 ASP A 74 -3.544 0.199 10.526 1.00 0.00 O ATOM 0 H ASP A 74 -6.156 -1.993 8.821 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.963 -0.149 8.071 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.053 -2.583 9.830 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.635 -2.371 8.822 1.00 0.00 H new ATOM 1006 N GLY A 75 -5.336 -2.213 6.283 1.00 0.00 N ATOM 1007 CA GLY A 75 -5.323 -2.930 5.022 1.00 0.00 C ATOM 1008 C GLY A 75 -6.120 -4.216 5.081 1.00 0.00 C ATOM 1009 O GLY A 75 -6.975 -4.386 5.952 1.00 0.00 O ATOM 0 H GLY A 75 -6.264 -1.961 6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.729 -2.290 4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.293 -3.156 4.746 1.00 0.00 H new ATOM 1013 N ASP A 76 -5.839 -5.124 4.156 1.00 0.00 N ATOM 1014 CA ASP A 76 -6.535 -6.406 4.107 1.00 0.00 C ATOM 1015 C ASP A 76 -5.807 -7.433 4.971 1.00 0.00 C ATOM 1016 O ASP A 76 -4.677 -7.200 5.401 1.00 0.00 O ATOM 1017 CB ASP A 76 -6.652 -6.907 2.662 1.00 0.00 C ATOM 1018 CG ASP A 76 -6.444 -5.812 1.631 1.00 0.00 C ATOM 1019 OD1 ASP A 76 -7.048 -4.729 1.785 1.00 0.00 O ATOM 1020 OD2 ASP A 76 -5.678 -6.038 0.671 1.00 0.00 O ATOM 0 H ASP A 76 -5.135 -4.998 3.429 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.542 -6.267 4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.918 -7.696 2.497 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.637 -7.352 2.517 1.00 0.00 H new ATOM 1025 N TRP A 77 -6.461 -8.561 5.243 1.00 0.00 N ATOM 1026 CA TRP A 77 -5.862 -9.597 6.081 1.00 0.00 C ATOM 1027 C TRP A 77 -6.462 -10.972 5.816 1.00 0.00 C ATOM 1028 O TRP A 77 -7.622 -11.096 5.425 1.00 0.00 O ATOM 1029 CB TRP A 77 -6.038 -9.243 7.558 1.00 0.00 C ATOM 1030 CG TRP A 77 -5.597 -7.852 7.899 1.00 0.00 C ATOM 1031 CD1 TRP A 77 -6.343 -6.710 7.820 1.00 0.00 C ATOM 1032 CD2 TRP A 77 -4.305 -7.456 8.371 1.00 0.00 C ATOM 1033 NE1 TRP A 77 -5.593 -5.630 8.214 1.00 0.00 N ATOM 1034 CE2 TRP A 77 -4.340 -6.062 8.558 1.00 0.00 C ATOM 1035 CE3 TRP A 77 -3.123 -8.143 8.655 1.00 0.00 C ATOM 1036 CZ2 TRP A 77 -3.239 -5.345 9.014 1.00 0.00 C ATOM 1037 CZ3 TRP A 77 -2.030 -7.431 9.108 1.00 0.00 C ATOM 1038 CH2 TRP A 77 -2.095 -6.044 9.285 1.00 0.00 C ATOM 0 H TRP A 77 -7.396 -8.779 4.899 1.00 0.00 H new ATOM 0 HA TRP A 77 -4.802 -9.641 5.829 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.088 -9.359 7.828 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -5.473 -9.953 8.163 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -7.372 -6.664 7.495 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -5.916 -4.663 8.245 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -3.065 -9.213 8.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -3.286 -4.275 9.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -1.110 -7.953 9.329 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -1.224 -5.515 9.643 1.00 0.00 H new ATOM 1049 N ALA A 78 -5.654 -12.003 6.052 1.00 0.00 N ATOM 1050 CA ALA A 78 -6.086 -13.379 5.861 1.00 0.00 C ATOM 1051 C ALA A 78 -5.590 -14.270 6.994 1.00 0.00 C ATOM 1052 O ALA A 78 -4.743 -13.864 7.790 1.00 0.00 O ATOM 1053 CB ALA A 78 -5.606 -13.910 4.524 1.00 0.00 C ATOM 0 H ALA A 78 -4.692 -11.907 6.377 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.176 -13.392 5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.940 -14.940 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.016 -13.297 3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.517 -13.874 4.488 1.00 0.00 H new ATOM 1059 N PHE A 79 -6.122 -15.484 7.062 1.00 0.00 N ATOM 1060 CA PHE A 79 -5.732 -16.430 8.099 1.00 0.00 C ATOM 1061 C PHE A 79 -5.002 -17.627 7.499 1.00 0.00 C ATOM 1062 O PHE A 79 -5.614 -18.488 6.866 1.00 0.00 O ATOM 1063 CB PHE A 79 -6.963 -16.907 8.873 1.00 0.00 C ATOM 1064 CG PHE A 79 -6.629 -17.658 10.130 1.00 0.00 C ATOM 1065 CD1 PHE A 79 -5.941 -17.037 11.161 1.00 0.00 C ATOM 1066 CD2 PHE A 79 -7.003 -18.983 10.282 1.00 0.00 C ATOM 1067 CE1 PHE A 79 -5.633 -17.725 12.318 1.00 0.00 C ATOM 1068 CE2 PHE A 79 -6.697 -19.676 11.437 1.00 0.00 C ATOM 1069 CZ PHE A 79 -6.011 -19.046 12.457 1.00 0.00 C ATOM 0 H PHE A 79 -6.824 -15.836 6.412 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.055 -15.919 8.783 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.578 -16.044 9.128 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.563 -17.547 8.226 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.643 -16.004 11.058 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.540 -19.480 9.488 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.097 -17.230 13.114 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.994 -20.709 11.542 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.771 -19.585 13.361 1.00 0.00 H new ATOM 1079 N GLU A 80 -3.691 -17.677 7.708 1.00 0.00 N ATOM 1080 CA GLU A 80 -2.877 -18.772 7.193 1.00 0.00 C ATOM 1081 C GLU A 80 -1.895 -19.256 8.254 1.00 0.00 C ATOM 1082 O GLU A 80 -1.481 -18.492 9.125 1.00 0.00 O ATOM 1083 CB GLU A 80 -2.127 -18.334 5.931 1.00 0.00 C ATOM 1084 CG GLU A 80 -0.865 -17.527 6.204 1.00 0.00 C ATOM 1085 CD GLU A 80 0.401 -18.310 5.915 1.00 0.00 C ATOM 1086 OE1 GLU A 80 0.394 -19.126 4.970 1.00 0.00 O ATOM 1087 OE2 GLU A 80 1.403 -18.106 6.635 1.00 0.00 O ATOM 0 H GLU A 80 -3.170 -16.973 8.230 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.538 -19.599 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.861 -19.220 5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.798 -17.740 5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.877 -16.624 5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.861 -17.208 7.246 1.00 0.00 H new ATOM 1094 N ASN A 81 -1.530 -20.531 8.180 1.00 0.00 N ATOM 1095 CA ASN A 81 -0.601 -21.114 9.140 1.00 0.00 C ATOM 1096 C ASN A 81 -1.104 -20.924 10.568 1.00 0.00 C ATOM 1097 O ASN A 81 -0.323 -20.940 11.520 1.00 0.00 O ATOM 1098 CB ASN A 81 0.785 -20.484 8.986 1.00 0.00 C ATOM 1099 CG ASN A 81 1.662 -21.246 8.012 1.00 0.00 C ATOM 1100 OD1 ASN A 81 1.736 -22.474 8.055 1.00 0.00 O ATOM 1101 ND2 ASN A 81 2.333 -20.519 7.126 1.00 0.00 N ATOM 0 H ASN A 81 -1.863 -21.179 7.466 1.00 0.00 H new ATOM 0 HA ASN A 81 -0.531 -22.183 8.938 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.677 -19.455 8.645 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.274 -20.447 9.959 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.939 -20.977 6.445 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.242 -19.503 7.126 1.00 0.00 H new ATOM 1108 N GLY A 82 -2.414 -20.742 10.711 1.00 0.00 N ATOM 1109 CA GLY A 82 -2.998 -20.549 12.024 1.00 0.00 C ATOM 1110 C GLY A 82 -2.568 -19.247 12.669 1.00 0.00 C ATOM 1111 O GLY A 82 -2.329 -19.195 13.876 1.00 0.00 O ATOM 0 H GLY A 82 -3.081 -20.725 9.939 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.085 -20.567 11.940 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.714 -21.381 12.669 1.00 0.00 H new ATOM 1115 N ASN A 83 -2.466 -18.190 11.866 1.00 0.00 N ATOM 1116 CA ASN A 83 -2.058 -16.886 12.377 1.00 0.00 C ATOM 1117 C ASN A 83 -2.719 -15.755 11.595 1.00 0.00 C ATOM 1118 O ASN A 83 -2.946 -15.869 10.391 1.00 0.00 O ATOM 1119 CB ASN A 83 -0.536 -16.743 12.312 1.00 0.00 C ATOM 1120 CG ASN A 83 0.020 -17.094 10.946 1.00 0.00 C ATOM 1121 OD1 ASN A 83 0.619 -18.153 10.760 1.00 0.00 O ATOM 1122 ND2 ASN A 83 -0.176 -16.203 9.980 1.00 0.00 N ATOM 0 H ASN A 83 -2.659 -18.211 10.865 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.381 -16.818 13.416 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -0.259 -15.719 12.562 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.081 -17.388 13.063 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.176 -16.384 9.040 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.678 -15.338 10.179 1.00 0.00 H new ATOM 1129 N TRP A 84 -3.022 -14.662 12.289 1.00 0.00 N ATOM 1130 CA TRP A 84 -3.651 -13.506 11.663 1.00 0.00 C ATOM 1131 C TRP A 84 -2.622 -12.676 10.906 1.00 0.00 C ATOM 1132 O TRP A 84 -2.106 -11.683 11.418 1.00 0.00 O ATOM 1133 CB TRP A 84 -4.348 -12.642 12.715 1.00 0.00 C ATOM 1134 CG TRP A 84 -5.627 -13.235 13.220 1.00 0.00 C ATOM 1135 CD1 TRP A 84 -5.959 -13.486 14.520 1.00 0.00 C ATOM 1136 CD2 TRP A 84 -6.746 -13.656 12.431 1.00 0.00 C ATOM 1137 NE1 TRP A 84 -7.217 -14.036 14.589 1.00 0.00 N ATOM 1138 CE2 TRP A 84 -7.721 -14.150 13.320 1.00 0.00 C ATOM 1139 CE3 TRP A 84 -7.021 -13.662 11.060 1.00 0.00 C ATOM 1140 CZ2 TRP A 84 -8.947 -14.645 12.881 1.00 0.00 C ATOM 1141 CZ3 TRP A 84 -8.237 -14.153 10.626 1.00 0.00 C ATOM 1142 CH2 TRP A 84 -9.187 -14.638 11.534 1.00 0.00 C ATOM 0 H TRP A 84 -2.841 -14.554 13.287 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.395 -13.868 10.954 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -3.671 -12.489 13.555 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -4.555 -11.660 12.289 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -5.326 -13.282 15.371 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.697 -14.314 15.445 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -6.295 -13.289 10.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -9.681 -15.021 13.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.459 -14.163 9.569 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -10.129 -15.014 11.163 1.00 0.00 H new ATOM 1153 N CYS A 85 -2.331 -13.096 9.682 1.00 0.00 N ATOM 1154 CA CYS A 85 -1.364 -12.404 8.840 1.00 0.00 C ATOM 1155 C CYS A 85 -2.064 -11.398 7.931 1.00 0.00 C ATOM 1156 O CYS A 85 -3.293 -11.324 7.910 1.00 0.00 O ATOM 1157 CB CYS A 85 -0.586 -13.416 8.002 1.00 0.00 C ATOM 1158 SG CYS A 85 -1.644 -14.578 7.086 1.00 0.00 S ATOM 0 H CYS A 85 -2.753 -13.917 9.248 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.670 -11.862 9.482 1.00 0.00 H new ATOM 0 HB2 CYS A 85 0.045 -12.879 7.294 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.078 -13.982 8.656 1.00 0.00 H new ATOM 1163 N GLY A 86 -1.282 -10.621 7.184 1.00 0.00 N ATOM 1164 CA GLY A 86 -1.860 -9.633 6.293 1.00 0.00 C ATOM 1165 C GLY A 86 -1.630 -9.956 4.830 1.00 0.00 C ATOM 1166 O GLY A 86 -0.746 -10.742 4.491 1.00 0.00 O ATOM 0 H GLY A 86 -0.263 -10.659 7.181 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.931 -9.563 6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.433 -8.655 6.516 1.00 0.00 H new ATOM 1170 N ILE A 87 -2.429 -9.344 3.962 1.00 0.00 N ATOM 1171 CA ILE A 87 -2.315 -9.564 2.525 1.00 0.00 C ATOM 1172 C ILE A 87 -1.169 -8.741 1.944 1.00 0.00 C ATOM 1173 O ILE A 87 -0.981 -7.577 2.301 1.00 0.00 O ATOM 1174 CB ILE A 87 -3.650 -9.224 1.804 1.00 0.00 C ATOM 1175 CG1 ILE A 87 -4.374 -10.500 1.355 1.00 0.00 C ATOM 1176 CG2 ILE A 87 -3.431 -8.304 0.606 1.00 0.00 C ATOM 1177 CD1 ILE A 87 -4.269 -11.658 2.322 1.00 0.00 C ATOM 0 H ILE A 87 -3.164 -8.690 4.230 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.099 -10.620 2.361 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.274 -8.697 2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.428 -10.268 1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.970 -10.811 0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.389 -8.091 0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.977 -7.371 0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.770 -8.791 -0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.810 -12.516 1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -3.221 -11.922 2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.701 -11.371 3.281 1.00 0.00 H new ATOM 1189 N LYS A 88 -0.406 -9.356 1.051 1.00 0.00 N ATOM 1190 CA LYS A 88 0.723 -8.688 0.421 1.00 0.00 C ATOM 1191 C LYS A 88 0.255 -7.737 -0.672 1.00 0.00 C ATOM 1192 O LYS A 88 -0.891 -7.800 -1.118 1.00 0.00 O ATOM 1193 CB LYS A 88 1.693 -9.714 -0.174 1.00 0.00 C ATOM 1194 CG LYS A 88 1.910 -10.941 0.698 1.00 0.00 C ATOM 1195 CD LYS A 88 3.278 -10.923 1.359 1.00 0.00 C ATOM 1196 CE LYS A 88 3.863 -12.321 1.477 1.00 0.00 C ATOM 1197 NZ LYS A 88 4.155 -12.917 0.143 1.00 0.00 N ATOM 0 H LYS A 88 -0.549 -10.319 0.746 1.00 0.00 H new ATOM 0 HA LYS A 88 1.237 -8.112 1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.316 -10.034 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.654 -9.231 -0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.136 -10.985 1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.810 -11.841 0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.954 -10.293 0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.197 -10.477 2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.780 -12.282 2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.165 -12.962 2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.240 -13.949 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.382 -12.691 -0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.047 -12.527 -0.224 1.00 0.00 H new ATOM 1211 N ASN A 89 1.158 -6.867 -1.109 1.00 0.00 N ATOM 1212 CA ASN A 89 0.855 -5.909 -2.165 1.00 0.00 C ATOM 1213 C ASN A 89 0.443 -6.624 -3.450 1.00 0.00 C ATOM 1214 O ASN A 89 -0.064 -6.002 -4.374 1.00 0.00 O ATOM 1215 CB ASN A 89 2.069 -5.017 -2.425 1.00 0.00 C ATOM 1216 CG ASN A 89 1.967 -3.680 -1.718 1.00 0.00 C ATOM 1217 OD1 ASN A 89 0.892 -3.287 -1.264 1.00 0.00 O ATOM 1218 ND2 ASN A 89 3.086 -2.973 -1.621 1.00 0.00 N ATOM 0 H ASN A 89 2.109 -6.806 -0.747 1.00 0.00 H new ATOM 0 HA ASN A 89 0.019 -5.291 -1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.972 -5.531 -2.095 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.171 -4.851 -3.497 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.077 -2.065 -1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.955 -3.337 -2.012 1.00 0.00 H new