USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 384 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 33 ASN : amide:sc= -2.49 K(o=-6.4,f=-19!) USER MOD Set 1.2: A 37 ASN : amide:sc= -3.95! C(o=-6.4!,f=-11!) USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 58:sc= 0.127 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0.0474 K(o=0.047,f=-1.2) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -120:sc= 0.985 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -153:sc= -10.2! (180deg=-11.4!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -2.75! C(o=-2.8!,f=-1.5!) USER MOD Single : A 29 MET CE :methyl -125:sc= -3.16 (180deg=-6.86!) USER MOD Single : A 34 TYR OH : rot 150:sc= -3.71! USER MOD Single : A 35 ASN : amide:sc= -0.0663 K(o=-0.066,f=-1.7!) USER MOD Single : A 39 GLN : amide:sc= -0.495 K(o=-0.49,f=-2.5!) USER MOD Single : A 44 THR OG1 : rot -25:sc= 0.726 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.055 USER MOD Single : A 49 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.025) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0859 X(o=-0.086,f=-0.51) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.235 26.741 1.309 1.00 0.00 N ATOM 2 CA GLY A 1 0.202 25.848 0.813 1.00 0.00 C ATOM 3 C GLY A 1 0.495 25.413 -0.624 1.00 0.00 C ATOM 4 O GLY A 1 -0.098 25.933 -1.568 1.00 0.00 O ATOM 0 H1 GLY A 1 1.012 27.021 2.285 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.154 26.254 1.290 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.280 27.588 0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.136 24.970 1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.766 26.347 0.855 1.00 0.00 H new ATOM 8 N SER A 2 1.411 24.463 -0.745 1.00 0.00 N ATOM 9 CA SER A 2 1.792 23.952 -2.050 1.00 0.00 C ATOM 10 C SER A 2 2.762 22.779 -1.891 1.00 0.00 C ATOM 11 O SER A 2 3.959 22.982 -1.697 1.00 0.00 O ATOM 12 CB SER A 2 2.422 25.049 -2.909 1.00 0.00 C ATOM 13 OG SER A 2 1.568 25.449 -3.977 1.00 0.00 O ATOM 0 H SER A 2 1.900 24.034 0.040 1.00 0.00 H new ATOM 0 HA SER A 2 0.892 23.604 -2.556 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.649 25.913 -2.284 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.368 24.692 -3.316 1.00 0.00 H new ATOM 0 HG SER A 2 0.716 25.769 -3.613 1.00 0.00 H new ATOM 18 N SER A 3 2.209 21.579 -1.979 1.00 0.00 N ATOM 19 CA SER A 3 3.010 20.373 -1.848 1.00 0.00 C ATOM 20 C SER A 3 3.464 19.894 -3.228 1.00 0.00 C ATOM 21 O SER A 3 2.725 19.198 -3.922 1.00 0.00 O ATOM 22 CB SER A 3 2.229 19.268 -1.133 1.00 0.00 C ATOM 23 OG SER A 3 3.019 18.610 -0.147 1.00 0.00 O ATOM 0 H SER A 3 1.215 21.415 -2.140 1.00 0.00 H new ATOM 0 HA SER A 3 3.887 20.609 -1.246 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.344 19.696 -0.662 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.880 18.539 -1.864 1.00 0.00 H new ATOM 0 HG SER A 3 2.485 17.913 0.288 1.00 0.00 H new ATOM 28 N GLY A 4 4.679 20.286 -3.585 1.00 0.00 N ATOM 29 CA GLY A 4 5.241 19.904 -4.869 1.00 0.00 C ATOM 30 C GLY A 4 4.698 20.793 -5.990 1.00 0.00 C ATOM 31 O GLY A 4 3.501 20.774 -6.277 1.00 0.00 O ATOM 0 H GLY A 4 5.289 20.864 -3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.328 19.982 -4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.003 18.861 -5.079 1.00 0.00 H new ATOM 35 N SER A 5 5.603 21.548 -6.595 1.00 0.00 N ATOM 36 CA SER A 5 5.230 22.441 -7.678 1.00 0.00 C ATOM 37 C SER A 5 5.757 21.899 -9.008 1.00 0.00 C ATOM 38 O SER A 5 6.865 22.236 -9.423 1.00 0.00 O ATOM 39 CB SER A 5 5.759 23.856 -7.434 1.00 0.00 C ATOM 40 OG SER A 5 5.660 24.671 -8.598 1.00 0.00 O ATOM 0 H SER A 5 6.594 21.559 -6.355 1.00 0.00 H new ATOM 0 HA SER A 5 4.142 22.492 -7.719 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.199 24.317 -6.620 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.800 23.804 -7.115 1.00 0.00 H new ATOM 0 HG SER A 5 6.006 25.566 -8.401 1.00 0.00 H new ATOM 45 N SER A 6 4.940 21.069 -9.639 1.00 0.00 N ATOM 46 CA SER A 6 5.310 20.478 -10.913 1.00 0.00 C ATOM 47 C SER A 6 5.070 21.479 -12.044 1.00 0.00 C ATOM 48 O SER A 6 3.932 21.689 -12.461 1.00 0.00 O ATOM 49 CB SER A 6 4.527 19.189 -11.170 1.00 0.00 C ATOM 50 OG SER A 6 4.726 18.227 -10.137 1.00 0.00 O ATOM 0 H SER A 6 4.022 20.792 -9.291 1.00 0.00 H new ATOM 0 HA SER A 6 6.370 20.227 -10.878 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.465 19.420 -11.250 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.833 18.763 -12.125 1.00 0.00 H new ATOM 0 HG SER A 6 4.208 17.420 -10.338 1.00 0.00 H new ATOM 55 N GLY A 7 6.161 22.070 -12.509 1.00 0.00 N ATOM 56 CA GLY A 7 6.083 23.045 -13.584 1.00 0.00 C ATOM 57 C GLY A 7 6.739 22.509 -14.858 1.00 0.00 C ATOM 58 O GLY A 7 6.063 21.952 -15.723 1.00 0.00 O ATOM 0 H GLY A 7 7.103 21.893 -12.161 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.040 23.290 -13.783 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.574 23.969 -13.278 1.00 0.00 H new ATOM 62 N PRO A 8 8.083 22.701 -14.938 1.00 0.00 N ATOM 63 CA PRO A 8 8.838 22.244 -16.092 1.00 0.00 C ATOM 64 C PRO A 8 9.023 20.725 -16.059 1.00 0.00 C ATOM 65 O PRO A 8 8.592 20.024 -16.974 1.00 0.00 O ATOM 66 CB PRO A 8 10.153 23.004 -16.028 1.00 0.00 C ATOM 67 CG PRO A 8 10.276 23.505 -14.598 1.00 0.00 C ATOM 68 CD PRO A 8 8.916 23.357 -13.934 1.00 0.00 C ATOM 0 HA PRO A 8 8.326 22.439 -17.034 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.991 22.357 -16.289 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.159 23.834 -16.734 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.030 22.933 -14.057 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.596 24.547 -14.585 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.982 22.761 -13.024 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.506 24.326 -13.651 1.00 0.00 H new ATOM 73 N SER A 9 9.664 20.262 -14.997 1.00 0.00 N ATOM 74 CA SER A 9 9.911 18.839 -14.834 1.00 0.00 C ATOM 75 C SER A 9 8.597 18.063 -14.949 1.00 0.00 C ATOM 76 O SER A 9 7.529 18.598 -14.656 1.00 0.00 O ATOM 77 CB SER A 9 10.583 18.548 -13.490 1.00 0.00 C ATOM 78 OG SER A 9 11.975 18.850 -13.513 1.00 0.00 O ATOM 0 H SER A 9 10.020 20.846 -14.241 1.00 0.00 H new ATOM 0 HA SER A 9 10.587 18.516 -15.626 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.098 19.132 -12.708 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.444 17.497 -13.235 1.00 0.00 H new ATOM 0 HG SER A 9 12.367 18.652 -12.637 1.00 0.00 H new ATOM 83 N HIS A 10 8.720 16.815 -15.377 1.00 0.00 N ATOM 84 CA HIS A 10 7.556 15.961 -15.535 1.00 0.00 C ATOM 85 C HIS A 10 7.193 15.332 -14.188 1.00 0.00 C ATOM 86 O HIS A 10 8.050 15.185 -13.317 1.00 0.00 O ATOM 87 CB HIS A 10 7.790 14.919 -16.631 1.00 0.00 C ATOM 88 CG HIS A 10 9.053 14.111 -16.449 1.00 0.00 C ATOM 89 ND1 HIS A 10 10.295 14.559 -16.861 1.00 0.00 N ATOM 90 CD2 HIS A 10 9.251 12.881 -15.895 1.00 0.00 C ATOM 91 CE1 HIS A 10 11.194 13.631 -16.565 1.00 0.00 C ATOM 92 NE2 HIS A 10 10.545 12.592 -15.966 1.00 0.00 N ATOM 0 H HIS A 10 9.608 16.375 -15.619 1.00 0.00 H new ATOM 0 HA HIS A 10 6.704 16.559 -15.859 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.938 14.240 -16.661 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.830 15.424 -17.596 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.485 12.249 -15.470 1.00 0.00 H new ATOM 0 HE1 HIS A 10 12.254 13.688 -16.763 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.982 11.734 -15.628 1.00 0.00 H new ATOM 99 N SER A 11 5.923 14.979 -14.059 1.00 0.00 N ATOM 100 CA SER A 11 5.436 14.370 -12.832 1.00 0.00 C ATOM 101 C SER A 11 4.859 12.985 -13.129 1.00 0.00 C ATOM 102 O SER A 11 3.660 12.846 -13.365 1.00 0.00 O ATOM 103 CB SER A 11 4.382 15.252 -12.159 1.00 0.00 C ATOM 104 OG SER A 11 4.049 14.784 -10.856 1.00 0.00 O ATOM 0 H SER A 11 5.216 15.103 -14.784 1.00 0.00 H new ATOM 0 HA SER A 11 6.276 14.267 -12.145 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.753 16.275 -12.093 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.484 15.278 -12.776 1.00 0.00 H new ATOM 0 HG SER A 11 3.375 15.374 -10.459 1.00 0.00 H new ATOM 109 N LEU A 12 5.739 11.995 -13.108 1.00 0.00 N ATOM 110 CA LEU A 12 5.331 10.625 -13.373 1.00 0.00 C ATOM 111 C LEU A 12 6.315 9.666 -12.700 1.00 0.00 C ATOM 112 O LEU A 12 7.240 9.169 -13.340 1.00 0.00 O ATOM 113 CB LEU A 12 5.177 10.393 -14.877 1.00 0.00 C ATOM 114 CG LEU A 12 4.113 9.376 -15.293 1.00 0.00 C ATOM 115 CD1 LEU A 12 3.792 9.497 -16.784 1.00 0.00 C ATOM 116 CD2 LEU A 12 4.532 7.956 -14.911 1.00 0.00 C ATOM 0 H LEU A 12 6.733 12.114 -12.912 1.00 0.00 H new ATOM 0 HA LEU A 12 4.349 10.430 -12.942 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.944 11.347 -15.350 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.138 10.067 -15.275 1.00 0.00 H new ATOM 0 HG LEU A 12 3.196 9.599 -14.747 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.033 8.763 -17.053 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.419 10.499 -16.996 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.695 9.315 -17.367 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.758 7.253 -15.218 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.468 7.706 -15.411 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.670 7.895 -13.831 1.00 0.00 H new ATOM 127 N GLN A 13 6.082 9.434 -11.416 1.00 0.00 N ATOM 128 CA GLN A 13 6.936 8.544 -10.650 1.00 0.00 C ATOM 129 C GLN A 13 6.172 7.275 -10.265 1.00 0.00 C ATOM 130 O GLN A 13 4.950 7.304 -10.116 1.00 0.00 O ATOM 131 CB GLN A 13 7.489 9.247 -9.408 1.00 0.00 C ATOM 132 CG GLN A 13 8.670 8.473 -8.819 1.00 0.00 C ATOM 133 CD GLN A 13 9.755 9.427 -8.317 1.00 0.00 C ATOM 134 OE1 GLN A 13 10.693 9.767 -9.019 1.00 0.00 O ATOM 135 NE2 GLN A 13 9.575 9.840 -7.065 1.00 0.00 N ATOM 0 H GLN A 13 5.314 9.847 -10.888 1.00 0.00 H new ATOM 0 HA GLN A 13 7.783 8.260 -11.275 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.805 10.257 -9.668 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.703 9.342 -8.659 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.325 7.845 -7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.087 7.808 -9.575 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.767 9.517 -6.532 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.245 10.480 -6.638 1.00 0.00 H new ATOM 142 N ALA A 14 6.921 6.194 -10.115 1.00 0.00 N ATOM 143 CA ALA A 14 6.329 4.917 -9.751 1.00 0.00 C ATOM 144 C ALA A 14 5.443 5.104 -8.518 1.00 0.00 C ATOM 145 O ALA A 14 5.656 6.024 -7.730 1.00 0.00 O ATOM 146 CB ALA A 14 7.437 3.887 -9.523 1.00 0.00 C ATOM 0 H ALA A 14 7.933 6.175 -10.239 1.00 0.00 H new ATOM 0 HA ALA A 14 5.698 4.543 -10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.993 2.930 -9.250 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.019 3.770 -10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.090 4.227 -8.719 1.00 0.00 H new ATOM 152 N PRO A 15 4.442 4.194 -8.386 1.00 0.00 N ATOM 153 CA PRO A 15 3.522 4.249 -7.263 1.00 0.00 C ATOM 154 C PRO A 15 4.193 3.749 -5.981 1.00 0.00 C ATOM 155 O PRO A 15 4.354 4.505 -5.025 1.00 0.00 O ATOM 156 CB PRO A 15 2.335 3.398 -7.683 1.00 0.00 C ATOM 157 CG PRO A 15 2.831 2.525 -8.823 1.00 0.00 C ATOM 158 CD PRO A 15 4.159 3.091 -9.301 1.00 0.00 C ATOM 0 HA PRO A 15 3.203 5.265 -7.030 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.977 2.790 -6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.501 4.022 -8.003 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.953 1.495 -8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.106 2.512 -9.637 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.946 2.337 -9.268 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.093 3.438 -10.332 1.00 0.00 H new ATOM 163 N GLU A 16 4.565 2.478 -6.003 1.00 0.00 N ATOM 164 CA GLU A 16 5.213 1.867 -4.856 1.00 0.00 C ATOM 165 C GLU A 16 6.325 2.777 -4.329 1.00 0.00 C ATOM 166 O GLU A 16 6.463 2.959 -3.120 1.00 0.00 O ATOM 167 CB GLU A 16 5.758 0.482 -5.206 1.00 0.00 C ATOM 168 CG GLU A 16 6.543 0.517 -6.519 1.00 0.00 C ATOM 169 CD GLU A 16 8.043 0.356 -6.266 1.00 0.00 C ATOM 170 OE1 GLU A 16 8.540 1.036 -5.343 1.00 0.00 O ATOM 171 OE2 GLU A 16 8.660 -0.445 -7.003 1.00 0.00 O ATOM 0 H GLU A 16 4.430 1.854 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 16 4.470 1.739 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.403 0.127 -4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.934 -0.226 -5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.194 -0.279 -7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.357 1.460 -7.033 1.00 0.00 H new ATOM 176 N VAL A 17 7.090 3.324 -5.262 1.00 0.00 N ATOM 177 CA VAL A 17 8.186 4.211 -4.906 1.00 0.00 C ATOM 178 C VAL A 17 7.645 5.374 -4.074 1.00 0.00 C ATOM 179 O VAL A 17 8.304 5.836 -3.144 1.00 0.00 O ATOM 180 CB VAL A 17 8.919 4.668 -6.169 1.00 0.00 C ATOM 181 CG1 VAL A 17 9.997 5.700 -5.833 1.00 0.00 C ATOM 182 CG2 VAL A 17 9.516 3.476 -6.919 1.00 0.00 C ATOM 0 H VAL A 17 6.973 3.171 -6.264 1.00 0.00 H new ATOM 0 HA VAL A 17 8.919 3.687 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 17 8.191 5.145 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.503 6.008 -6.748 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.535 6.568 -5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.722 5.259 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.031 3.829 -7.812 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.224 2.957 -6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.719 2.791 -7.207 1.00 0.00 H new ATOM 192 N ARG A 18 6.450 5.815 -4.438 1.00 0.00 N ATOM 193 CA ARG A 18 5.813 6.918 -3.736 1.00 0.00 C ATOM 194 C ARG A 18 5.382 6.476 -2.337 1.00 0.00 C ATOM 195 O ARG A 18 5.806 7.058 -1.341 1.00 0.00 O ATOM 196 CB ARG A 18 4.590 7.425 -4.503 1.00 0.00 C ATOM 197 CG ARG A 18 4.302 8.889 -4.167 1.00 0.00 C ATOM 198 CD ARG A 18 2.865 9.264 -4.538 1.00 0.00 C ATOM 199 NE ARG A 18 2.845 10.574 -5.226 1.00 0.00 N ATOM 200 CZ ARG A 18 1.771 11.372 -5.294 1.00 0.00 C ATOM 201 NH1 ARG A 18 0.622 10.997 -4.715 1.00 0.00 N ATOM 202 NH2 ARG A 18 1.846 12.543 -5.940 1.00 0.00 N ATOM 0 H ARG A 18 5.906 5.429 -5.210 1.00 0.00 H new ATOM 0 HA ARG A 18 6.539 7.727 -3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.759 7.320 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.722 6.814 -4.256 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.463 9.060 -3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.000 9.533 -4.703 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.436 8.498 -5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.248 9.306 -3.640 1.00 0.00 H new ATOM 0 HE ARG A 18 3.704 10.890 -5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.566 10.105 -4.223 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.196 11.604 -4.766 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.721 12.827 -6.380 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.028 13.150 -5.992 1.00 0.00 H new ATOM 213 N PHE A 19 4.544 5.451 -2.307 1.00 0.00 N ATOM 214 CA PHE A 19 4.049 4.925 -1.045 1.00 0.00 C ATOM 215 C PHE A 19 4.873 3.716 -0.595 1.00 0.00 C ATOM 216 O PHE A 19 4.320 2.728 -0.113 1.00 0.00 O ATOM 217 CB PHE A 19 2.604 4.483 -1.280 1.00 0.00 C ATOM 218 CG PHE A 19 1.797 5.438 -2.163 1.00 0.00 C ATOM 219 CD1 PHE A 19 1.504 6.690 -1.720 1.00 0.00 C ATOM 220 CD2 PHE A 19 1.374 5.034 -3.390 1.00 0.00 C ATOM 221 CE1 PHE A 19 0.755 7.575 -2.540 1.00 0.00 C ATOM 222 CE2 PHE A 19 0.625 5.920 -4.209 1.00 0.00 C ATOM 223 CZ PHE A 19 0.332 7.172 -3.768 1.00 0.00 C ATOM 0 H PHE A 19 4.195 4.970 -3.136 1.00 0.00 H new ATOM 0 HA PHE A 19 4.119 5.689 -0.270 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.607 3.495 -1.740 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.104 4.385 -0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.841 7.011 -0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.607 4.040 -3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.521 8.569 -2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.288 5.599 -5.183 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.236 7.846 -4.392 1.00 0.00 H new ATOM 232 N SER A 20 6.181 3.833 -0.769 1.00 0.00 N ATOM 233 CA SER A 20 7.086 2.763 -0.387 1.00 0.00 C ATOM 234 C SER A 20 7.216 2.705 1.136 1.00 0.00 C ATOM 235 O SER A 20 7.037 1.648 1.738 1.00 0.00 O ATOM 236 CB SER A 20 8.462 2.949 -1.031 1.00 0.00 C ATOM 237 OG SER A 20 8.781 4.324 -1.221 1.00 0.00 O ATOM 0 H SER A 20 6.636 4.653 -1.170 1.00 0.00 H new ATOM 0 HA SER A 20 6.671 1.821 -0.745 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.222 2.484 -0.403 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.485 2.435 -1.992 1.00 0.00 H new ATOM 0 HG SER A 20 8.920 4.499 -2.175 1.00 0.00 H new ATOM 242 N LYS A 21 7.526 3.856 1.715 1.00 0.00 N ATOM 243 CA LYS A 21 7.682 3.951 3.157 1.00 0.00 C ATOM 244 C LYS A 21 6.499 3.259 3.839 1.00 0.00 C ATOM 245 O LYS A 21 6.615 2.803 4.976 1.00 0.00 O ATOM 246 CB LYS A 21 7.872 5.408 3.581 1.00 0.00 C ATOM 247 CG LYS A 21 8.963 5.532 4.646 1.00 0.00 C ATOM 248 CD LYS A 21 8.422 6.203 5.909 1.00 0.00 C ATOM 249 CE LYS A 21 8.975 5.530 7.168 1.00 0.00 C ATOM 250 NZ LYS A 21 9.432 6.547 8.141 1.00 0.00 N ATOM 0 H LYS A 21 7.673 4.731 1.212 1.00 0.00 H new ATOM 0 HA LYS A 21 8.585 3.431 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.136 6.011 2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.933 5.803 3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.350 4.543 4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.798 6.111 4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.692 7.259 5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.333 6.153 5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.206 4.905 7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.804 4.874 6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.804 6.074 8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.181 7.127 7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.633 7.156 8.407 1.00 0.00 H new ATOM 260 N GLU A 22 5.390 3.204 3.117 1.00 0.00 N ATOM 261 CA GLU A 22 4.188 2.577 3.639 1.00 0.00 C ATOM 262 C GLU A 22 4.229 1.067 3.397 1.00 0.00 C ATOM 263 O GLU A 22 4.088 0.281 4.331 1.00 0.00 O ATOM 264 CB GLU A 22 2.934 3.197 3.021 1.00 0.00 C ATOM 265 CG GLU A 22 2.821 4.680 3.381 1.00 0.00 C ATOM 266 CD GLU A 22 3.378 5.560 2.259 1.00 0.00 C ATOM 267 OE1 GLU A 22 4.545 5.324 1.879 1.00 0.00 O ATOM 268 OE2 GLU A 22 2.624 6.449 1.809 1.00 0.00 O ATOM 0 H GLU A 22 5.298 3.583 2.175 1.00 0.00 H new ATOM 0 HA GLU A 22 4.148 2.752 4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.964 3.083 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.050 2.665 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.777 4.935 3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.364 4.876 4.306 1.00 0.00 H new ATOM 273 N MET A 23 4.424 0.707 2.136 1.00 0.00 N ATOM 274 CA MET A 23 4.485 -0.694 1.759 1.00 0.00 C ATOM 275 C MET A 23 5.370 -1.485 2.726 1.00 0.00 C ATOM 276 O MET A 23 5.145 -2.673 2.948 1.00 0.00 O ATOM 277 CB MET A 23 5.045 -0.817 0.340 1.00 0.00 C ATOM 278 CG MET A 23 4.007 -0.385 -0.698 1.00 0.00 C ATOM 279 SD MET A 23 2.571 -1.440 -0.600 1.00 0.00 S ATOM 280 CE MET A 23 3.003 -2.667 -1.822 1.00 0.00 C ATOM 0 H MET A 23 4.542 1.362 1.363 1.00 0.00 H new ATOM 0 HA MET A 23 3.476 -1.105 1.799 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.939 -0.201 0.243 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.346 -1.848 0.152 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.719 0.652 -0.527 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.438 -0.435 -1.698 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.094 -3.101 -2.239 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.581 -2.199 -2.619 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.598 -3.452 -1.355 1.00 0.00 H new ATOM 288 N GLU A 24 6.356 -0.791 3.276 1.00 0.00 N ATOM 289 CA GLU A 24 7.274 -1.413 4.215 1.00 0.00 C ATOM 290 C GLU A 24 6.627 -1.522 5.598 1.00 0.00 C ATOM 291 O GLU A 24 6.733 -2.555 6.257 1.00 0.00 O ATOM 292 CB GLU A 24 8.593 -0.640 4.285 1.00 0.00 C ATOM 293 CG GLU A 24 9.670 -1.315 3.434 1.00 0.00 C ATOM 294 CD GLU A 24 11.002 -1.378 4.184 1.00 0.00 C ATOM 295 OE1 GLU A 24 11.156 -2.319 4.992 1.00 0.00 O ATOM 296 OE2 GLU A 24 11.837 -0.482 3.932 1.00 0.00 O ATOM 0 H GLU A 24 6.539 0.195 3.089 1.00 0.00 H new ATOM 0 HA GLU A 24 7.499 -2.419 3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.438 0.382 3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.928 -0.579 5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.350 -2.323 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.799 -0.765 2.502 1.00 0.00 H new ATOM 301 N CYS A 25 5.972 -0.442 5.996 1.00 0.00 N ATOM 302 CA CYS A 25 5.309 -0.402 7.287 1.00 0.00 C ATOM 303 C CYS A 25 4.241 -1.498 7.313 1.00 0.00 C ATOM 304 O CYS A 25 4.067 -2.176 8.325 1.00 0.00 O ATOM 305 CB CYS A 25 4.715 0.978 7.577 1.00 0.00 C ATOM 306 SG CYS A 25 5.166 1.510 9.269 1.00 0.00 S ATOM 0 H CYS A 25 5.886 0.413 5.446 1.00 0.00 H new ATOM 0 HA CYS A 25 6.037 -0.585 8.077 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.082 1.702 6.849 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.630 0.945 7.474 1.00 0.00 H new ATOM 0 HG CYS A 25 4.659 2.684 9.505 1.00 0.00 H new ATOM 311 N LEU A 26 3.555 -1.638 6.188 1.00 0.00 N ATOM 312 CA LEU A 26 2.510 -2.640 6.069 1.00 0.00 C ATOM 313 C LEU A 26 3.117 -4.030 6.267 1.00 0.00 C ATOM 314 O LEU A 26 2.723 -4.760 7.174 1.00 0.00 O ATOM 315 CB LEU A 26 1.762 -2.478 4.744 1.00 0.00 C ATOM 316 CG LEU A 26 0.826 -1.273 4.645 1.00 0.00 C ATOM 317 CD1 LEU A 26 0.846 -0.677 3.236 1.00 0.00 C ATOM 318 CD2 LEU A 26 -0.591 -1.641 5.092 1.00 0.00 C ATOM 0 H LEU A 26 3.703 -1.074 5.351 1.00 0.00 H new ATOM 0 HA LEU A 26 1.762 -2.505 6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.496 -2.409 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.179 -3.381 4.566 1.00 0.00 H new ATOM 0 HG LEU A 26 1.188 -0.502 5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.172 0.178 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.858 -0.354 2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.522 -1.430 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.236 -0.766 5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.978 -2.437 4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.569 -1.982 6.127 1.00 0.00 H new ATOM 329 N GLN A 27 4.068 -4.354 5.402 1.00 0.00 N ATOM 330 CA GLN A 27 4.733 -5.645 5.471 1.00 0.00 C ATOM 331 C GLN A 27 4.995 -6.030 6.927 1.00 0.00 C ATOM 332 O GLN A 27 4.737 -7.165 7.329 1.00 0.00 O ATOM 333 CB GLN A 27 6.034 -5.633 4.665 1.00 0.00 C ATOM 334 CG GLN A 27 6.046 -6.756 3.627 1.00 0.00 C ATOM 335 CD GLN A 27 6.910 -7.929 4.097 1.00 0.00 C ATOM 336 OE1 GLN A 27 8.036 -8.114 3.668 1.00 0.00 O ATOM 337 NE2 GLN A 27 6.322 -8.707 5.000 1.00 0.00 N ATOM 0 H GLN A 27 4.393 -3.746 4.651 1.00 0.00 H new ATOM 0 HA GLN A 27 4.076 -6.395 5.030 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.148 -4.671 4.166 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.884 -5.746 5.338 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.028 -7.100 3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.427 -6.376 2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.376 -8.495 5.317 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.817 -9.516 5.376 1.00 0.00 H new ATOM 344 N ALA A 28 5.501 -5.065 7.681 1.00 0.00 N ATOM 345 CA ALA A 28 5.799 -5.290 9.084 1.00 0.00 C ATOM 346 C ALA A 28 4.576 -5.902 9.770 1.00 0.00 C ATOM 347 O ALA A 28 4.689 -6.912 10.464 1.00 0.00 O ATOM 348 CB ALA A 28 6.231 -3.973 9.733 1.00 0.00 C ATOM 0 H ALA A 28 5.712 -4.125 7.346 1.00 0.00 H new ATOM 0 HA ALA A 28 6.625 -5.994 9.191 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.455 -4.143 10.786 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.120 -3.594 9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.426 -3.243 9.646 1.00 0.00 H new ATOM 354 N MET A 29 3.434 -5.267 9.551 1.00 0.00 N ATOM 355 CA MET A 29 2.192 -5.737 10.138 1.00 0.00 C ATOM 356 C MET A 29 1.895 -7.177 9.715 1.00 0.00 C ATOM 357 O MET A 29 1.333 -7.951 10.488 1.00 0.00 O ATOM 358 CB MET A 29 1.042 -4.828 9.698 1.00 0.00 C ATOM 359 CG MET A 29 1.182 -3.432 10.308 1.00 0.00 C ATOM 360 SD MET A 29 -0.402 -2.609 10.317 1.00 0.00 S ATOM 361 CE MET A 29 -0.182 -1.500 8.935 1.00 0.00 C ATOM 0 H MET A 29 3.343 -4.430 8.975 1.00 0.00 H new ATOM 0 HA MET A 29 2.293 -5.711 11.223 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.028 -4.754 8.611 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.091 -5.267 10.000 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.568 -3.507 11.325 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.902 -2.847 9.736 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.373 -0.476 9.256 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.840 -1.579 8.564 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.878 -1.767 8.140 1.00 0.00 H new ATOM 369 N GLY A 30 2.285 -7.492 8.490 1.00 0.00 N ATOM 370 CA GLY A 30 2.068 -8.825 7.954 1.00 0.00 C ATOM 371 C GLY A 30 1.487 -8.760 6.540 1.00 0.00 C ATOM 372 O GLY A 30 1.451 -9.767 5.833 1.00 0.00 O ATOM 0 H GLY A 30 2.751 -6.847 7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.010 -9.373 7.939 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.389 -9.376 8.605 1.00 0.00 H new ATOM 376 N PHE A 31 1.046 -7.567 6.171 1.00 0.00 N ATOM 377 CA PHE A 31 0.468 -7.358 4.853 1.00 0.00 C ATOM 378 C PHE A 31 1.533 -7.481 3.762 1.00 0.00 C ATOM 379 O PHE A 31 2.024 -6.473 3.253 1.00 0.00 O ATOM 380 CB PHE A 31 -0.104 -5.939 4.836 1.00 0.00 C ATOM 381 CG PHE A 31 -1.318 -5.747 5.746 1.00 0.00 C ATOM 382 CD1 PHE A 31 -2.438 -6.495 5.553 1.00 0.00 C ATOM 383 CD2 PHE A 31 -1.279 -4.827 6.748 1.00 0.00 C ATOM 384 CE1 PHE A 31 -3.566 -6.315 6.398 1.00 0.00 C ATOM 385 CE2 PHE A 31 -2.407 -4.648 7.592 1.00 0.00 C ATOM 386 CZ PHE A 31 -3.526 -5.396 7.399 1.00 0.00 C ATOM 0 H PHE A 31 1.077 -6.735 6.760 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.299 -8.108 4.659 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.677 -5.240 5.136 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.385 -5.684 3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.470 -7.225 4.758 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.390 -4.233 6.901 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.455 -6.908 6.245 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.376 -3.918 8.387 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.384 -5.260 8.041 1.00 0.00 H new ATOM 395 N VAL A 32 1.858 -8.722 3.433 1.00 0.00 N ATOM 396 CA VAL A 32 2.855 -8.988 2.410 1.00 0.00 C ATOM 397 C VAL A 32 2.243 -8.743 1.030 1.00 0.00 C ATOM 398 O VAL A 32 2.964 -8.572 0.048 1.00 0.00 O ATOM 399 CB VAL A 32 3.408 -10.405 2.575 1.00 0.00 C ATOM 400 CG1 VAL A 32 3.939 -10.625 3.993 1.00 0.00 C ATOM 401 CG2 VAL A 32 2.351 -11.452 2.217 1.00 0.00 C ATOM 0 H VAL A 32 1.449 -9.555 3.857 1.00 0.00 H new ATOM 0 HA VAL A 32 3.700 -8.308 2.515 1.00 0.00 H new ATOM 0 HB VAL A 32 4.242 -10.521 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.326 -11.640 4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.738 -9.912 4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.131 -10.480 4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.770 -12.450 2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.487 -11.336 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.041 -11.317 1.181 1.00 0.00 H new ATOM 411 N ASN A 33 0.919 -8.732 0.999 1.00 0.00 N ATOM 412 CA ASN A 33 0.201 -8.509 -0.244 1.00 0.00 C ATOM 413 C ASN A 33 0.613 -7.159 -0.832 1.00 0.00 C ATOM 414 O ASN A 33 0.033 -6.127 -0.493 1.00 0.00 O ATOM 415 CB ASN A 33 -1.312 -8.482 -0.011 1.00 0.00 C ATOM 416 CG ASN A 33 -1.666 -7.583 1.174 1.00 0.00 C ATOM 417 OD1 ASN A 33 -0.810 -7.066 1.874 1.00 0.00 O ATOM 418 ND2 ASN A 33 -2.974 -7.424 1.360 1.00 0.00 N ATOM 0 H ASN A 33 0.324 -8.874 1.815 1.00 0.00 H new ATOM 0 HA ASN A 33 0.446 -9.325 -0.924 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.816 -8.123 -0.908 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.674 -9.494 0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.313 -6.841 2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.637 -7.885 0.737 1.00 0.00 H new ATOM 424 N TYR A 34 1.611 -7.207 -1.703 1.00 0.00 N ATOM 425 CA TYR A 34 2.108 -5.999 -2.340 1.00 0.00 C ATOM 426 C TYR A 34 1.107 -5.473 -3.372 1.00 0.00 C ATOM 427 O TYR A 34 0.595 -4.364 -3.235 1.00 0.00 O ATOM 428 CB TYR A 34 3.398 -6.401 -3.057 1.00 0.00 C ATOM 429 CG TYR A 34 4.111 -5.239 -3.752 1.00 0.00 C ATOM 430 CD1 TYR A 34 4.887 -4.367 -3.017 1.00 0.00 C ATOM 431 CD2 TYR A 34 3.978 -5.064 -5.115 1.00 0.00 C ATOM 432 CE1 TYR A 34 5.558 -3.273 -3.671 1.00 0.00 C ATOM 433 CE2 TYR A 34 4.649 -3.972 -5.769 1.00 0.00 C ATOM 434 CZ TYR A 34 5.406 -3.130 -5.015 1.00 0.00 C ATOM 435 OH TYR A 34 6.040 -2.097 -5.633 1.00 0.00 O ATOM 0 H TYR A 34 2.089 -8.064 -1.982 1.00 0.00 H new ATOM 0 HA TYR A 34 2.268 -5.213 -1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.078 -6.851 -2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.167 -7.167 -3.797 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.991 -4.505 -1.951 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.370 -5.747 -5.690 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.168 -2.582 -3.107 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.554 -3.824 -6.835 1.00 0.00 H new ATOM 0 HH TYR A 34 6.258 -2.351 -6.554 1.00 0.00 H new ATOM 444 N ASN A 35 0.861 -6.295 -4.381 1.00 0.00 N ATOM 445 CA ASN A 35 -0.069 -5.927 -5.436 1.00 0.00 C ATOM 446 C ASN A 35 -1.340 -5.349 -4.810 1.00 0.00 C ATOM 447 O ASN A 35 -1.916 -4.397 -5.334 1.00 0.00 O ATOM 448 CB ASN A 35 -0.464 -7.145 -6.272 1.00 0.00 C ATOM 449 CG ASN A 35 -0.876 -6.730 -7.686 1.00 0.00 C ATOM 450 OD1 ASN A 35 -0.843 -5.567 -8.054 1.00 0.00 O ATOM 451 ND2 ASN A 35 -1.266 -7.742 -8.455 1.00 0.00 N ATOM 0 H ASN A 35 1.289 -7.214 -4.491 1.00 0.00 H new ATOM 0 HA ASN A 35 0.421 -5.194 -6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.372 -7.842 -6.323 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.288 -7.670 -5.789 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.561 -7.568 -9.416 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.270 -8.692 -8.084 1.00 0.00 H new ATOM 457 N ALA A 36 -1.740 -5.949 -3.699 1.00 0.00 N ATOM 458 CA ALA A 36 -2.933 -5.507 -2.998 1.00 0.00 C ATOM 459 C ALA A 36 -2.641 -4.181 -2.290 1.00 0.00 C ATOM 460 O ALA A 36 -3.240 -3.157 -2.614 1.00 0.00 O ATOM 461 CB ALA A 36 -3.387 -6.597 -2.026 1.00 0.00 C ATOM 0 H ALA A 36 -1.259 -6.738 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.749 -5.335 -3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.282 -6.265 -1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.609 -7.509 -2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.594 -6.794 -1.304 1.00 0.00 H new ATOM 467 N ASN A 37 -1.720 -4.245 -1.340 1.00 0.00 N ATOM 468 CA ASN A 37 -1.341 -3.062 -0.585 1.00 0.00 C ATOM 469 C ASN A 37 -1.162 -1.885 -1.545 1.00 0.00 C ATOM 470 O ASN A 37 -1.786 -0.839 -1.375 1.00 0.00 O ATOM 471 CB ASN A 37 -0.018 -3.279 0.150 1.00 0.00 C ATOM 472 CG ASN A 37 -0.188 -4.262 1.310 1.00 0.00 C ATOM 473 OD1 ASN A 37 -1.248 -4.384 1.903 1.00 0.00 O ATOM 474 ND2 ASN A 37 0.910 -4.953 1.599 1.00 0.00 N ATOM 0 H ASN A 37 -1.225 -5.097 -1.076 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.128 -2.859 0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.730 -3.658 -0.546 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.352 -2.326 0.528 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.899 -5.635 2.357 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.764 -4.801 1.062 1.00 0.00 H new ATOM 480 N LEU A 38 -0.306 -2.095 -2.535 1.00 0.00 N ATOM 481 CA LEU A 38 -0.036 -1.064 -3.523 1.00 0.00 C ATOM 482 C LEU A 38 -1.357 -0.434 -3.970 1.00 0.00 C ATOM 483 O LEU A 38 -1.567 0.766 -3.800 1.00 0.00 O ATOM 484 CB LEU A 38 0.796 -1.631 -4.674 1.00 0.00 C ATOM 485 CG LEU A 38 1.925 -0.734 -5.190 1.00 0.00 C ATOM 486 CD1 LEU A 38 2.618 -1.367 -6.398 1.00 0.00 C ATOM 487 CD2 LEU A 38 1.412 0.673 -5.496 1.00 0.00 C ATOM 0 H LEU A 38 0.210 -2.964 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 38 0.566 -0.267 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.229 -2.578 -4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.127 -1.854 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 38 2.673 -0.639 -4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.416 -0.710 -6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.040 -2.330 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.893 -1.512 -7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.234 1.289 -5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.634 0.619 -6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.002 1.116 -4.589 1.00 0.00 H new ATOM 498 N GLN A 39 -2.214 -1.273 -4.534 1.00 0.00 N ATOM 499 CA GLN A 39 -3.509 -0.814 -5.007 1.00 0.00 C ATOM 500 C GLN A 39 -4.212 0.001 -3.921 1.00 0.00 C ATOM 501 O GLN A 39 -4.647 1.126 -4.167 1.00 0.00 O ATOM 502 CB GLN A 39 -4.377 -1.990 -5.459 1.00 0.00 C ATOM 503 CG GLN A 39 -3.809 -2.638 -6.723 1.00 0.00 C ATOM 504 CD GLN A 39 -4.337 -4.063 -6.893 1.00 0.00 C ATOM 505 OE1 GLN A 39 -4.863 -4.672 -5.977 1.00 0.00 O ATOM 506 NE2 GLN A 39 -4.168 -4.560 -8.116 1.00 0.00 N ATOM 0 H GLN A 39 -2.037 -2.268 -4.674 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.350 -0.170 -5.872 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.436 -2.731 -4.661 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.393 -1.645 -5.649 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.077 -2.041 -7.594 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.720 -2.654 -6.670 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.719 -3.996 -8.838 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.487 -5.505 -8.331 1.00 0.00 H new ATOM 513 N ALA A 40 -4.302 -0.596 -2.742 1.00 0.00 N ATOM 514 CA ALA A 40 -4.946 0.060 -1.617 1.00 0.00 C ATOM 515 C ALA A 40 -4.338 1.452 -1.429 1.00 0.00 C ATOM 516 O ALA A 40 -5.057 2.450 -1.408 1.00 0.00 O ATOM 517 CB ALA A 40 -4.804 -0.811 -0.368 1.00 0.00 C ATOM 0 H ALA A 40 -3.939 -1.528 -2.541 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.012 0.187 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.287 -0.319 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.276 -1.778 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.747 -0.958 -0.145 1.00 0.00 H new ATOM 523 N LEU A 41 -3.020 1.474 -1.297 1.00 0.00 N ATOM 524 CA LEU A 41 -2.308 2.728 -1.111 1.00 0.00 C ATOM 525 C LEU A 41 -2.807 3.750 -2.134 1.00 0.00 C ATOM 526 O LEU A 41 -3.357 4.786 -1.764 1.00 0.00 O ATOM 527 CB LEU A 41 -0.796 2.497 -1.161 1.00 0.00 C ATOM 528 CG LEU A 41 -0.153 1.989 0.131 1.00 0.00 C ATOM 529 CD1 LEU A 41 1.193 1.318 -0.153 1.00 0.00 C ATOM 530 CD2 LEU A 41 -0.028 3.113 1.161 1.00 0.00 C ATOM 0 H LEU A 41 -2.426 0.645 -1.315 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.513 3.139 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.584 1.781 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.314 3.434 -1.439 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.806 1.230 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.629 0.966 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.044 0.473 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.867 2.037 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.432 2.724 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.591 3.912 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.018 3.504 1.395 1.00 0.00 H new ATOM 541 N ILE A 42 -2.599 3.423 -3.402 1.00 0.00 N ATOM 542 CA ILE A 42 -3.022 4.298 -4.481 1.00 0.00 C ATOM 543 C ILE A 42 -4.482 4.700 -4.264 1.00 0.00 C ATOM 544 O ILE A 42 -4.863 5.838 -4.533 1.00 0.00 O ATOM 545 CB ILE A 42 -2.759 3.642 -5.837 1.00 0.00 C ATOM 546 CG1 ILE A 42 -1.257 3.488 -6.091 1.00 0.00 C ATOM 547 CG2 ILE A 42 -3.453 4.413 -6.963 1.00 0.00 C ATOM 548 CD1 ILE A 42 -0.983 2.360 -7.088 1.00 0.00 C ATOM 0 H ILE A 42 -2.142 2.563 -3.705 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.435 5.217 -4.479 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.187 2.640 -5.819 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.851 4.424 -6.475 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.745 3.280 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.250 3.926 -7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.528 4.428 -6.785 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.076 5.435 -6.990 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.091 2.271 -7.251 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.368 1.421 -6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.476 2.583 -8.034 1.00 0.00 H new ATOM 559 N ALA A 43 -5.260 3.743 -3.780 1.00 0.00 N ATOM 560 CA ALA A 43 -6.670 3.982 -3.524 1.00 0.00 C ATOM 561 C ALA A 43 -6.813 5.111 -2.502 1.00 0.00 C ATOM 562 O ALA A 43 -7.777 5.875 -2.546 1.00 0.00 O ATOM 563 CB ALA A 43 -7.331 2.685 -3.056 1.00 0.00 C ATOM 0 H ALA A 43 -4.940 2.800 -3.558 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.178 4.296 -4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.389 2.864 -2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.227 1.924 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.849 2.341 -2.141 1.00 0.00 H new ATOM 569 N THR A 44 -5.842 5.181 -1.604 1.00 0.00 N ATOM 570 CA THR A 44 -5.848 6.204 -0.572 1.00 0.00 C ATOM 571 C THR A 44 -4.746 7.233 -0.835 1.00 0.00 C ATOM 572 O THR A 44 -4.366 7.984 0.063 1.00 0.00 O ATOM 573 CB THR A 44 -5.719 5.508 0.784 1.00 0.00 C ATOM 574 OG1 THR A 44 -4.367 5.059 0.818 1.00 0.00 O ATOM 575 CG2 THR A 44 -6.542 4.221 0.863 1.00 0.00 C ATOM 0 H THR A 44 -5.045 4.545 -1.569 1.00 0.00 H new ATOM 0 HA THR A 44 -6.782 6.766 -0.577 1.00 0.00 H new ATOM 0 HB THR A 44 -6.036 6.190 1.573 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.040 4.937 -0.098 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.415 3.767 1.846 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.595 4.452 0.704 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.203 3.525 0.096 1.00 0.00 H new ATOM 583 N ASP A 45 -4.264 7.234 -2.068 1.00 0.00 N ATOM 584 CA ASP A 45 -3.213 8.159 -2.460 1.00 0.00 C ATOM 585 C ASP A 45 -2.170 8.241 -1.344 1.00 0.00 C ATOM 586 O ASP A 45 -1.769 9.333 -0.943 1.00 0.00 O ATOM 587 CB ASP A 45 -3.773 9.564 -2.689 1.00 0.00 C ATOM 588 CG ASP A 45 -2.933 10.454 -3.607 1.00 0.00 C ATOM 589 OD1 ASP A 45 -2.984 10.212 -4.833 1.00 0.00 O ATOM 590 OD2 ASP A 45 -2.257 11.354 -3.063 1.00 0.00 O ATOM 0 H ASP A 45 -4.581 6.609 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.769 7.793 -3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.774 9.475 -3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.877 10.059 -1.724 1.00 0.00 H new ATOM 594 N GLY A 46 -1.760 7.072 -0.873 1.00 0.00 N ATOM 595 CA GLY A 46 -0.772 6.998 0.189 1.00 0.00 C ATOM 596 C GLY A 46 -1.410 7.275 1.551 1.00 0.00 C ATOM 597 O GLY A 46 -1.309 8.384 2.074 1.00 0.00 O ATOM 0 H GLY A 46 -2.095 6.168 -1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.311 6.010 0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.023 7.720 0.002 1.00 0.00 H new ATOM 601 N ASP A 47 -2.051 6.247 2.089 1.00 0.00 N ATOM 602 CA ASP A 47 -2.705 6.365 3.380 1.00 0.00 C ATOM 603 C ASP A 47 -2.763 4.989 4.046 1.00 0.00 C ATOM 604 O ASP A 47 -3.619 4.171 3.714 1.00 0.00 O ATOM 605 CB ASP A 47 -4.138 6.877 3.227 1.00 0.00 C ATOM 606 CG ASP A 47 -4.491 8.082 4.100 1.00 0.00 C ATOM 607 OD1 ASP A 47 -3.679 8.390 4.998 1.00 0.00 O ATOM 608 OD2 ASP A 47 -5.565 8.671 3.848 1.00 0.00 O ATOM 0 H ASP A 47 -2.131 5.328 1.653 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.133 7.069 3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.303 7.143 2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.825 6.064 3.461 1.00 0.00 H new ATOM 612 N THR A 48 -1.839 4.776 4.972 1.00 0.00 N ATOM 613 CA THR A 48 -1.775 3.513 5.687 1.00 0.00 C ATOM 614 C THR A 48 -3.108 3.221 6.379 1.00 0.00 C ATOM 615 O THR A 48 -3.747 2.208 6.101 1.00 0.00 O ATOM 616 CB THR A 48 -0.590 3.577 6.654 1.00 0.00 C ATOM 617 OG1 THR A 48 -0.731 4.844 7.291 1.00 0.00 O ATOM 618 CG2 THR A 48 0.753 3.671 5.928 1.00 0.00 C ATOM 0 H THR A 48 -1.129 5.457 5.243 1.00 0.00 H new ATOM 0 HA THR A 48 -1.612 2.680 5.003 1.00 0.00 H new ATOM 0 HB THR A 48 -0.595 2.695 7.294 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.004 4.968 7.937 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.560 3.714 6.660 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.885 2.795 5.293 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.772 4.571 5.314 1.00 0.00 H new ATOM 626 N ASN A 49 -3.489 4.128 7.266 1.00 0.00 N ATOM 627 CA ASN A 49 -4.735 3.982 7.999 1.00 0.00 C ATOM 628 C ASN A 49 -5.830 3.506 7.044 1.00 0.00 C ATOM 629 O ASN A 49 -6.341 2.396 7.183 1.00 0.00 O ATOM 630 CB ASN A 49 -5.179 5.317 8.601 1.00 0.00 C ATOM 631 CG ASN A 49 -4.179 5.805 9.651 1.00 0.00 C ATOM 632 OD1 ASN A 49 -4.237 5.448 10.816 1.00 0.00 O ATOM 633 ND2 ASN A 49 -3.260 6.641 9.174 1.00 0.00 N ATOM 0 H ASN A 49 -2.956 4.967 7.494 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.573 3.261 8.801 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.275 6.062 7.811 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.163 5.206 9.055 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.547 7.024 9.795 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.268 6.899 8.187 1.00 0.00 H new ATOM 639 N ALA A 50 -6.160 4.369 6.095 1.00 0.00 N ATOM 640 CA ALA A 50 -7.185 4.050 5.116 1.00 0.00 C ATOM 641 C ALA A 50 -6.884 2.687 4.492 1.00 0.00 C ATOM 642 O ALA A 50 -7.738 1.802 4.481 1.00 0.00 O ATOM 643 CB ALA A 50 -7.259 5.166 4.071 1.00 0.00 C ATOM 0 H ALA A 50 -5.735 5.290 5.983 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.163 3.985 5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.028 4.926 3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.506 6.108 4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.296 5.260 3.570 1.00 0.00 H new ATOM 649 N ALA A 51 -5.664 2.559 3.989 1.00 0.00 N ATOM 650 CA ALA A 51 -5.239 1.317 3.365 1.00 0.00 C ATOM 651 C ALA A 51 -5.630 0.140 4.261 1.00 0.00 C ATOM 652 O ALA A 51 -6.314 -0.781 3.818 1.00 0.00 O ATOM 653 CB ALA A 51 -3.733 1.370 3.099 1.00 0.00 C ATOM 0 H ALA A 51 -4.957 3.294 4.001 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.737 1.180 2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.413 0.439 2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.510 2.205 2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.202 1.504 4.041 1.00 0.00 H new ATOM 659 N ILE A 52 -5.181 0.210 5.505 1.00 0.00 N ATOM 660 CA ILE A 52 -5.475 -0.838 6.468 1.00 0.00 C ATOM 661 C ILE A 52 -6.990 -1.044 6.543 1.00 0.00 C ATOM 662 O ILE A 52 -7.496 -2.100 6.164 1.00 0.00 O ATOM 663 CB ILE A 52 -4.830 -0.522 7.819 1.00 0.00 C ATOM 664 CG1 ILE A 52 -3.305 -0.560 7.720 1.00 0.00 C ATOM 665 CG2 ILE A 52 -5.358 -1.458 8.909 1.00 0.00 C ATOM 666 CD1 ILE A 52 -2.686 0.707 8.314 1.00 0.00 C ATOM 0 H ILE A 52 -4.615 0.977 5.869 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.039 -1.784 6.147 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.108 0.493 8.103 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.924 -1.436 8.245 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.007 -0.660 6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.884 -1.213 9.860 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.438 -1.338 9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.129 -2.490 8.645 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.600 0.655 8.231 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.050 1.579 7.771 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.966 0.791 9.364 1.00 0.00 H new ATOM 677 N TYR A 53 -7.671 -0.019 7.032 1.00 0.00 N ATOM 678 CA TYR A 53 -9.117 -0.074 7.161 1.00 0.00 C ATOM 679 C TYR A 53 -9.746 -0.812 5.977 1.00 0.00 C ATOM 680 O TYR A 53 -10.599 -1.678 6.162 1.00 0.00 O ATOM 681 CB TYR A 53 -9.597 1.378 7.154 1.00 0.00 C ATOM 682 CG TYR A 53 -10.273 1.817 8.455 1.00 0.00 C ATOM 683 CD1 TYR A 53 -11.469 1.245 8.837 1.00 0.00 C ATOM 684 CD2 TYR A 53 -9.686 2.784 9.246 1.00 0.00 C ATOM 685 CE1 TYR A 53 -12.105 1.658 10.062 1.00 0.00 C ATOM 686 CE2 TYR A 53 -10.322 3.196 10.470 1.00 0.00 C ATOM 687 CZ TYR A 53 -11.500 2.613 10.818 1.00 0.00 C ATOM 688 OH TYR A 53 -12.101 3.002 11.974 1.00 0.00 O ATOM 0 H TYR A 53 -7.248 0.855 7.344 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.401 -0.604 8.070 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.745 2.030 6.961 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.296 1.515 6.329 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.928 0.488 8.218 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.750 3.231 8.947 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.041 1.219 10.373 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.873 3.951 11.098 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.556 3.689 12.411 1.00 0.00 H new ATOM 697 N LYS A 54 -9.299 -0.441 4.786 1.00 0.00 N ATOM 698 CA LYS A 54 -9.807 -1.057 3.571 1.00 0.00 C ATOM 699 C LYS A 54 -9.436 -2.541 3.564 1.00 0.00 C ATOM 700 O LYS A 54 -10.313 -3.404 3.583 1.00 0.00 O ATOM 701 CB LYS A 54 -9.317 -0.294 2.339 1.00 0.00 C ATOM 702 CG LYS A 54 -10.144 0.973 2.114 1.00 0.00 C ATOM 703 CD LYS A 54 -9.934 1.521 0.700 1.00 0.00 C ATOM 704 CE LYS A 54 -10.124 3.038 0.666 1.00 0.00 C ATOM 705 NZ LYS A 54 -11.550 3.377 0.458 1.00 0.00 N ATOM 0 H LYS A 54 -8.591 0.278 4.636 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.895 -1.000 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.267 -0.030 2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.381 -0.935 1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.200 0.755 2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.863 1.730 2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.932 1.269 0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.637 1.047 0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.773 3.476 1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.521 3.468 -0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.662 4.411 0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.874 2.976 -0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.117 2.983 1.235 1.00 0.00 H new ATOM 715 N LEU A 55 -8.135 -2.793 3.535 1.00 0.00 N ATOM 716 CA LEU A 55 -7.638 -4.158 3.525 1.00 0.00 C ATOM 717 C LEU A 55 -8.425 -4.992 4.538 1.00 0.00 C ATOM 718 O LEU A 55 -9.096 -5.954 4.168 1.00 0.00 O ATOM 719 CB LEU A 55 -6.125 -4.179 3.754 1.00 0.00 C ATOM 720 CG LEU A 55 -5.277 -3.472 2.695 1.00 0.00 C ATOM 721 CD1 LEU A 55 -3.858 -3.220 3.210 1.00 0.00 C ATOM 722 CD2 LEU A 55 -5.279 -4.253 1.380 1.00 0.00 C ATOM 0 H LEU A 55 -7.411 -2.075 3.518 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.796 -4.613 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.918 -3.722 4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.801 -5.218 3.816 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.724 -2.499 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.275 -2.716 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.900 -2.593 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.387 -4.171 3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.669 -3.729 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.869 -5.249 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.300 -4.339 1.009 1.00 0.00 H new ATOM 733 N LYS A 56 -8.318 -4.591 5.796 1.00 0.00 N ATOM 734 CA LYS A 56 -9.010 -5.288 6.866 1.00 0.00 C ATOM 735 C LYS A 56 -10.429 -5.634 6.407 1.00 0.00 C ATOM 736 O LYS A 56 -10.792 -6.807 6.332 1.00 0.00 O ATOM 737 CB LYS A 56 -8.964 -4.471 8.158 1.00 0.00 C ATOM 738 CG LYS A 56 -7.579 -4.543 8.803 1.00 0.00 C ATOM 739 CD LYS A 56 -7.655 -5.174 10.195 1.00 0.00 C ATOM 740 CE LYS A 56 -7.597 -4.103 11.286 1.00 0.00 C ATOM 741 NZ LYS A 56 -8.826 -3.278 11.267 1.00 0.00 N ATOM 0 H LYS A 56 -7.762 -3.791 6.098 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.508 -6.228 7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.216 -3.432 7.945 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.714 -4.844 8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.909 -5.127 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.155 -3.541 8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.579 -5.745 10.290 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.832 -5.876 10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.484 -4.575 12.262 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.723 -3.469 11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.771 -2.556 12.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.918 -2.813 10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.654 -3.885 11.433 1.00 0.00 H new ATOM 751 N SER A 57 -11.192 -4.592 6.115 1.00 0.00 N ATOM 752 CA SER A 57 -12.563 -4.770 5.666 1.00 0.00 C ATOM 753 C SER A 57 -12.645 -5.944 4.689 1.00 0.00 C ATOM 754 O SER A 57 -13.383 -6.900 4.922 1.00 0.00 O ATOM 755 CB SER A 57 -13.099 -3.495 5.011 1.00 0.00 C ATOM 756 OG SER A 57 -14.008 -2.800 5.861 1.00 0.00 O ATOM 0 H SER A 57 -10.887 -3.621 6.180 1.00 0.00 H new ATOM 0 HA SER A 57 -13.182 -4.986 6.536 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.266 -2.839 4.758 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.599 -3.750 4.077 1.00 0.00 H new ATOM 0 HG SER A 57 -14.326 -1.991 5.408 1.00 0.00 H new ATOM 761 N SER A 58 -11.877 -5.833 3.615 1.00 0.00 N ATOM 762 CA SER A 58 -11.853 -6.874 2.601 1.00 0.00 C ATOM 763 C SER A 58 -11.318 -8.176 3.200 1.00 0.00 C ATOM 764 O SER A 58 -10.579 -8.153 4.184 1.00 0.00 O ATOM 765 CB SER A 58 -11.005 -6.453 1.400 1.00 0.00 C ATOM 766 OG SER A 58 -11.756 -6.450 0.190 1.00 0.00 O ATOM 0 H SER A 58 -11.267 -5.038 3.425 1.00 0.00 H new ATOM 0 HA SER A 58 -12.873 -7.035 2.252 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.597 -5.458 1.576 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.158 -7.131 1.299 1.00 0.00 H new ATOM 0 HG SER A 58 -11.179 -6.174 -0.552 1.00 0.00 H new ATOM 771 N GLN A 59 -11.710 -9.280 2.582 1.00 0.00 N ATOM 772 CA GLN A 59 -11.278 -10.589 3.041 1.00 0.00 C ATOM 773 C GLN A 59 -10.048 -11.048 2.257 1.00 0.00 C ATOM 774 O GLN A 59 -9.830 -10.614 1.127 1.00 0.00 O ATOM 775 CB GLN A 59 -12.413 -11.611 2.929 1.00 0.00 C ATOM 776 CG GLN A 59 -12.505 -12.467 4.194 1.00 0.00 C ATOM 777 CD GLN A 59 -13.922 -12.439 4.771 1.00 0.00 C ATOM 778 OE1 GLN A 59 -14.910 -12.365 4.059 1.00 0.00 O ATOM 779 NE2 GLN A 59 -13.966 -12.501 6.099 1.00 0.00 N ATOM 0 H GLN A 59 -12.323 -9.295 1.767 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.005 -10.511 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.358 -11.094 2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -12.246 -12.252 2.063 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -12.222 -13.494 3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.798 -12.100 4.938 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -13.101 -12.562 6.636 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -14.865 -12.488 6.581 1.00 0.00 H new ATOM 786 N GLY A 60 -9.275 -11.919 2.887 1.00 0.00 N ATOM 787 CA GLY A 60 -8.071 -12.441 2.264 1.00 0.00 C ATOM 788 C GLY A 60 -7.825 -13.895 2.675 1.00 0.00 C ATOM 789 O GLY A 60 -7.601 -14.180 3.850 1.00 0.00 O ATOM 0 H GLY A 60 -9.459 -12.277 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.161 -12.376 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.215 -11.829 2.549 1.00 0.00 H new ATOM 793 N PHE A 61 -7.876 -14.773 1.685 1.00 0.00 N ATOM 794 CA PHE A 61 -7.662 -16.189 1.930 1.00 0.00 C ATOM 795 C PHE A 61 -6.210 -16.464 2.326 1.00 0.00 C ATOM 796 O PHE A 61 -5.339 -16.578 1.466 1.00 0.00 O ATOM 797 CB PHE A 61 -7.968 -16.920 0.621 1.00 0.00 C ATOM 798 CG PHE A 61 -8.136 -18.432 0.777 1.00 0.00 C ATOM 799 CD1 PHE A 61 -7.088 -19.194 1.190 1.00 0.00 C ATOM 800 CD2 PHE A 61 -9.334 -19.016 0.504 1.00 0.00 C ATOM 801 CE1 PHE A 61 -7.244 -20.598 1.335 1.00 0.00 C ATOM 802 CE2 PHE A 61 -9.490 -20.419 0.649 1.00 0.00 C ATOM 803 CZ PHE A 61 -8.442 -21.181 1.062 1.00 0.00 C ATOM 0 H PHE A 61 -8.062 -14.532 0.712 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.303 -16.527 2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -8.880 -16.506 0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.164 -16.726 -0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.137 -18.731 1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -10.167 -18.411 0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.411 -21.203 1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -10.441 -20.882 0.431 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.561 -22.249 1.173 1.00 0.00 H new ATOM 812 N SER A 62 -5.996 -16.562 3.630 1.00 0.00 N ATOM 813 CA SER A 62 -4.665 -16.821 4.152 1.00 0.00 C ATOM 814 C SER A 62 -4.758 -17.343 5.587 1.00 0.00 C ATOM 815 O SER A 62 -5.530 -16.825 6.391 1.00 0.00 O ATOM 816 CB SER A 62 -3.798 -15.561 4.100 1.00 0.00 C ATOM 817 OG SER A 62 -2.565 -15.789 3.423 1.00 0.00 O ATOM 0 H SER A 62 -6.722 -16.467 4.340 1.00 0.00 H new ATOM 0 HA SER A 62 -4.194 -17.579 3.527 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.346 -14.764 3.597 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.596 -15.218 5.115 1.00 0.00 H new ATOM 0 HG SER A 62 -2.041 -14.961 3.410 1.00 0.00 H new ATOM 822 N GLY A 63 -3.958 -18.362 5.865 1.00 0.00 N ATOM 823 CA GLY A 63 -3.940 -18.960 7.190 1.00 0.00 C ATOM 824 C GLY A 63 -3.729 -17.896 8.269 1.00 0.00 C ATOM 825 O GLY A 63 -3.201 -16.821 7.990 1.00 0.00 O ATOM 0 H GLY A 63 -3.318 -18.789 5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.879 -19.484 7.369 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.145 -19.703 7.247 1.00 0.00 H new ATOM 829 N PRO A 64 -4.166 -18.241 9.509 1.00 0.00 N ATOM 830 CA PRO A 64 -4.029 -17.328 10.631 1.00 0.00 C ATOM 831 C PRO A 64 -2.581 -17.270 11.119 1.00 0.00 C ATOM 832 O PRO A 64 -2.016 -18.286 11.520 1.00 0.00 O ATOM 833 CB PRO A 64 -4.990 -17.855 11.685 1.00 0.00 C ATOM 834 CG PRO A 64 -5.281 -19.297 11.301 1.00 0.00 C ATOM 835 CD PRO A 64 -4.797 -19.506 9.875 1.00 0.00 C ATOM 0 HA PRO A 64 -4.271 -16.299 10.367 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.548 -17.797 12.680 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.906 -17.265 11.708 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.775 -19.983 11.980 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.348 -19.504 11.376 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.090 -20.333 9.814 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.625 -19.744 9.207 1.00 0.00 H new ATOM 840 N SER A 65 -2.020 -16.070 11.068 1.00 0.00 N ATOM 841 CA SER A 65 -0.648 -15.867 11.499 1.00 0.00 C ATOM 842 C SER A 65 -0.414 -14.388 11.815 1.00 0.00 C ATOM 843 O SER A 65 -0.064 -13.608 10.931 1.00 0.00 O ATOM 844 CB SER A 65 0.340 -16.345 10.435 1.00 0.00 C ATOM 845 OG SER A 65 1.294 -17.262 10.965 1.00 0.00 O ATOM 0 H SER A 65 -2.491 -15.229 10.735 1.00 0.00 H new ATOM 0 HA SER A 65 -0.481 -16.456 12.401 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.206 -16.821 9.621 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.860 -15.486 10.011 1.00 0.00 H new ATOM 0 HG SER A 65 1.906 -17.545 10.254 1.00 0.00 H new ATOM 850 N SER A 66 -0.615 -14.047 13.080 1.00 0.00 N ATOM 851 CA SER A 66 -0.429 -12.676 13.524 1.00 0.00 C ATOM 852 C SER A 66 0.832 -12.571 14.386 1.00 0.00 C ATOM 853 O SER A 66 1.062 -13.408 15.258 1.00 0.00 O ATOM 854 CB SER A 66 -1.648 -12.181 14.304 1.00 0.00 C ATOM 855 OG SER A 66 -2.851 -12.305 13.550 1.00 0.00 O ATOM 0 H SER A 66 -0.905 -14.697 13.811 1.00 0.00 H new ATOM 0 HA SER A 66 -0.313 -12.044 12.644 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.741 -12.748 15.230 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.501 -11.138 14.583 1.00 0.00 H new ATOM 0 HG SER A 66 -3.606 -11.980 14.083 1.00 0.00 H new ATOM 860 N GLY A 67 1.612 -11.536 14.112 1.00 0.00 N ATOM 861 CA GLY A 67 2.842 -11.311 14.852 1.00 0.00 C ATOM 862 C GLY A 67 3.840 -10.500 14.022 1.00 0.00 C ATOM 863 O GLY A 67 3.849 -10.589 12.795 1.00 0.00 O ATOM 0 H GLY A 67 1.416 -10.844 13.388 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.621 -10.783 15.780 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.285 -12.268 15.127 1.00 0.00 H new TER 867 GLY A 67