USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 775 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 51 SER OG : rot 73:sc= 1.5 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -172:sc= 0.447 (180deg=0) USER MOD Set 2.1: A 42 ASN : amide:sc= -2.58! C(o=-7.1!,f=-6.7!) USER MOD Set 2.2: A 64 GLN : amide:sc= -4.54! C(o=-7.1!,f=-8.2!) USER MOD Single : A 1 SER N :NH3+ -156:sc= 0.226 (180deg=-0.138) USER MOD Single : A 1 SER OG : rot 82:sc= 0.245 USER MOD Single : A 2 GLN : amide:sc=-0.00393 X(o=-0.0039,f=0) USER MOD Single : A 3 GLN : amide:sc= 0.389 X(o=0.39,f=-0.068) USER MOD Single : A 4 SER OG : rot 9:sc= 0.536 USER MOD Single : A 5 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.4!) USER MOD Single : A 6 SER OG : rot 59:sc= 0.193 USER MOD Single : A 7 SER OG : rot 180:sc= -0.211 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.698 K(o=0.7,f=-6.2!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl -161:sc= 0 (180deg=-0.178) USER MOD Single : A 31 ASN : amide:sc= -1.15 K(o=-1.2,f=-7.5!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc=-0.00215 USER MOD Single : A 65 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.75) USER MOD Single : A 66 GLN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 73 GLN : amide:sc= 0.181 X(o=0.18,f=-0.11) USER MOD Single : A 80 SER OG : rot 29:sc= 0.145 USER MOD Single : A 89 GLN : amide:sc= 0.541 K(o=0.54,f=-0.056) USER MOD Single : A 91 LYS NZ :NH3+ -102:sc= 0.774 (180deg=-0.837!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.623 23.352 -10.473 1.00 25.00 N ATOM 2 CA SER A 1 1.565 22.417 -10.999 1.00 25.00 C ATOM 3 C SER A 1 1.997 21.618 -12.207 1.00 25.00 C ATOM 4 O SER A 1 1.378 20.680 -12.653 1.00 25.00 O ATOM 5 CB SER A 1 0.392 23.297 -11.383 1.00 25.00 C ATOM 6 OG SER A 1 0.957 24.594 -11.380 1.00 25.00 O ATOM 0 H1 SER A 1 2.443 23.550 -9.468 1.00 25.00 H new ATOM 0 H2 SER A 1 3.559 22.911 -10.577 1.00 25.00 H new ATOM 0 H3 SER A 1 2.598 24.242 -11.011 1.00 25.00 H new ATOM 0 HA SER A 1 1.331 21.681 -10.229 1.00 25.00 H new ATOM 0 HB2 SER A 1 -0.008 23.033 -12.362 1.00 25.00 H new ATOM 0 HB3 SER A 1 -0.428 23.212 -10.670 1.00 25.00 H new ATOM 0 HG SER A 1 1.422 24.750 -12.228 1.00 25.00 H new ATOM 14 N GLN A 2 3.134 22.052 -12.754 1.00 25.00 N ATOM 15 CA GLN A 2 3.749 21.442 -13.927 1.00 25.00 C ATOM 16 C GLN A 2 5.194 21.112 -13.590 1.00 25.00 C ATOM 17 O GLN A 2 5.786 21.742 -12.716 1.00 25.00 O ATOM 18 CB GLN A 2 3.712 22.417 -15.111 1.00 25.00 C ATOM 19 CG GLN A 2 2.305 22.833 -15.534 1.00 25.00 C ATOM 20 CD GLN A 2 2.324 23.790 -16.704 1.00 25.00 C ATOM 21 OE1 GLN A 2 2.795 23.464 -17.779 1.00 25.00 O ATOM 22 NE2 GLN A 2 1.820 24.980 -16.498 1.00 25.00 N ATOM 0 H GLN A 2 3.658 22.847 -12.388 1.00 25.00 H new ATOM 0 HA GLN A 2 3.204 20.539 -14.202 1.00 25.00 H new ATOM 0 HB2 GLN A 2 4.280 23.310 -14.850 1.00 25.00 H new ATOM 0 HB3 GLN A 2 4.214 21.957 -15.962 1.00 25.00 H new ATOM 0 HG2 GLN A 2 1.730 21.946 -15.800 1.00 25.00 H new ATOM 0 HG3 GLN A 2 1.797 23.301 -14.691 1.00 25.00 H new ATOM 0 HE21 GLN A 2 1.434 25.219 -15.585 1.00 25.00 H new ATOM 0 HE22 GLN A 2 1.813 25.668 -17.251 1.00 25.00 H new ATOM 31 N GLN A 3 5.766 20.152 -14.301 1.00 25.00 N ATOM 32 CA GLN A 3 7.167 19.782 -14.129 1.00 25.00 C ATOM 33 C GLN A 3 7.709 19.447 -15.510 1.00 25.00 C ATOM 34 O GLN A 3 6.943 19.123 -16.416 1.00 25.00 O ATOM 35 CB GLN A 3 7.310 18.588 -13.170 1.00 25.00 C ATOM 36 CG GLN A 3 6.663 17.291 -13.660 1.00 25.00 C ATOM 37 CD GLN A 3 6.774 16.184 -12.637 1.00 25.00 C ATOM 38 OE1 GLN A 3 6.064 16.173 -11.647 1.00 25.00 O ATOM 39 NE2 GLN A 3 7.673 15.266 -12.863 1.00 25.00 N ATOM 0 H GLN A 3 5.276 19.608 -15.011 1.00 25.00 H new ATOM 0 HA GLN A 3 7.731 20.602 -13.685 1.00 25.00 H new ATOM 0 HB2 GLN A 3 8.370 18.405 -12.995 1.00 25.00 H new ATOM 0 HB3 GLN A 3 6.870 18.857 -12.209 1.00 25.00 H new ATOM 0 HG2 GLN A 3 5.612 17.472 -13.886 1.00 25.00 H new ATOM 0 HG3 GLN A 3 7.139 16.976 -14.589 1.00 25.00 H new ATOM 0 HE21 GLN A 3 8.248 15.311 -13.704 1.00 25.00 H new ATOM 0 HE22 GLN A 3 7.801 14.503 -12.198 1.00 25.00 H new ATOM 48 N SER A 4 9.015 19.565 -15.682 1.00 25.00 N ATOM 49 CA SER A 4 9.675 19.310 -16.960 1.00 25.00 C ATOM 50 C SER A 4 11.131 19.071 -16.612 1.00 25.00 C ATOM 51 O SER A 4 11.485 19.203 -15.454 1.00 25.00 O ATOM 52 CB SER A 4 9.552 20.521 -17.892 1.00 25.00 C ATOM 53 OG SER A 4 8.211 20.696 -18.315 1.00 25.00 O ATOM 0 H SER A 4 9.654 19.842 -14.937 1.00 25.00 H new ATOM 0 HA SER A 4 9.226 18.464 -17.481 1.00 25.00 H new ATOM 0 HB2 SER A 4 9.896 21.418 -17.377 1.00 25.00 H new ATOM 0 HB3 SER A 4 10.197 20.385 -18.760 1.00 25.00 H new ATOM 0 HG SER A 4 7.628 20.089 -17.813 1.00 25.00 H new ATOM 59 N HIS A 5 11.952 18.730 -17.602 1.00 25.00 N ATOM 60 CA HIS A 5 13.406 18.475 -17.440 1.00 25.00 C ATOM 61 C HIS A 5 13.768 17.202 -16.651 1.00 25.00 C ATOM 62 O HIS A 5 14.772 16.568 -16.944 1.00 25.00 O ATOM 63 CB HIS A 5 14.139 19.684 -16.811 1.00 25.00 C ATOM 64 CG HIS A 5 13.860 20.989 -17.496 1.00 25.00 C ATOM 65 ND1 HIS A 5 14.490 21.393 -18.676 1.00 25.00 N ATOM 66 CD2 HIS A 5 13.040 22.025 -17.174 1.00 25.00 C ATOM 67 CE1 HIS A 5 14.038 22.592 -19.015 1.00 25.00 C ATOM 68 NE2 HIS A 5 13.168 22.989 -18.125 1.00 25.00 N ATOM 0 H HIS A 5 11.632 18.617 -18.564 1.00 25.00 H new ATOM 0 HA HIS A 5 13.748 18.315 -18.463 1.00 25.00 H new ATOM 0 HB2 HIS A 5 13.850 19.766 -15.763 1.00 25.00 H new ATOM 0 HB3 HIS A 5 15.213 19.496 -16.832 1.00 25.00 H new ATOM 0 HD1 HIS A 5 15.185 20.853 -19.192 1.00 25.00 H new ATOM 0 HD2 HIS A 5 12.396 22.074 -16.309 1.00 25.00 H new ATOM 0 HE1 HIS A 5 14.341 23.152 -19.888 1.00 25.00 H new ATOM 76 N SER A 6 12.961 16.809 -15.679 1.00 25.00 N ATOM 77 CA SER A 6 13.243 15.622 -14.863 1.00 25.00 C ATOM 78 C SER A 6 12.945 14.291 -15.550 1.00 25.00 C ATOM 79 O SER A 6 12.032 13.567 -15.164 1.00 25.00 O ATOM 80 CB SER A 6 12.446 15.686 -13.576 1.00 25.00 C ATOM 81 OG SER A 6 11.061 15.841 -13.834 1.00 25.00 O ATOM 0 H SER A 6 12.099 17.293 -15.429 1.00 25.00 H new ATOM 0 HA SER A 6 14.317 15.646 -14.679 1.00 25.00 H new ATOM 0 HB2 SER A 6 12.611 14.776 -12.998 1.00 25.00 H new ATOM 0 HB3 SER A 6 12.800 16.518 -12.968 1.00 25.00 H new ATOM 0 HG SER A 6 10.745 15.093 -14.382 1.00 25.00 H new ATOM 87 N SER A 7 13.736 13.969 -16.558 1.00 25.00 N ATOM 88 CA SER A 7 13.651 12.665 -17.236 1.00 25.00 C ATOM 89 C SER A 7 14.991 12.193 -17.850 1.00 25.00 C ATOM 90 O SER A 7 15.492 11.144 -17.461 1.00 25.00 O ATOM 91 CB SER A 7 12.529 12.643 -18.293 1.00 25.00 C ATOM 92 OG SER A 7 11.329 13.196 -17.780 1.00 25.00 O ATOM 0 H SER A 7 14.452 14.589 -16.935 1.00 25.00 H new ATOM 0 HA SER A 7 13.404 11.950 -16.451 1.00 25.00 H new ATOM 0 HB2 SER A 7 12.844 13.204 -19.173 1.00 25.00 H new ATOM 0 HB3 SER A 7 12.351 11.617 -18.616 1.00 25.00 H new ATOM 0 HG SER A 7 10.635 13.171 -18.472 1.00 25.00 H new ATOM 98 N PRO A 8 15.606 12.955 -18.790 1.00 25.00 N ATOM 99 CA PRO A 8 16.865 12.416 -19.336 1.00 25.00 C ATOM 100 C PRO A 8 18.114 12.813 -18.542 1.00 25.00 C ATOM 101 O PRO A 8 19.216 12.876 -19.076 1.00 25.00 O ATOM 102 CB PRO A 8 16.904 13.054 -20.717 1.00 25.00 C ATOM 103 CG PRO A 8 16.375 14.404 -20.484 1.00 25.00 C ATOM 104 CD PRO A 8 15.273 14.237 -19.453 1.00 25.00 C ATOM 0 HA PRO A 8 16.879 11.326 -19.316 1.00 25.00 H new ATOM 0 HB2 PRO A 8 17.917 13.083 -21.118 1.00 25.00 H new ATOM 0 HB3 PRO A 8 16.294 12.502 -21.432 1.00 25.00 H new ATOM 0 HG2 PRO A 8 17.155 15.073 -20.120 1.00 25.00 H new ATOM 0 HG3 PRO A 8 15.987 14.838 -21.406 1.00 25.00 H new ATOM 0 HD2 PRO A 8 15.260 15.064 -18.743 1.00 25.00 H new ATOM 0 HD3 PRO A 8 14.289 14.203 -19.920 1.00 25.00 H new ATOM 112 N GLY A 9 17.909 13.192 -17.293 1.00 25.00 N ATOM 113 CA GLY A 9 18.972 13.758 -16.471 1.00 25.00 C ATOM 114 C GLY A 9 19.030 15.240 -16.626 1.00 25.00 C ATOM 115 O GLY A 9 19.130 15.940 -15.634 1.00 25.00 O ATOM 0 H GLY A 9 17.009 13.118 -16.819 1.00 25.00 H new ATOM 0 HA2 GLY A 9 18.803 13.504 -15.425 1.00 25.00 H new ATOM 0 HA3 GLY A 9 19.929 13.321 -16.755 1.00 25.00 H new ATOM 119 N GLU A 10 18.975 15.680 -17.880 1.00 25.00 N ATOM 120 CA GLU A 10 19.161 17.065 -18.259 1.00 25.00 C ATOM 121 C GLU A 10 20.447 17.532 -17.606 1.00 25.00 C ATOM 122 O GLU A 10 20.447 18.175 -16.557 1.00 25.00 O ATOM 123 CB GLU A 10 17.936 17.866 -17.870 1.00 25.00 C ATOM 124 CG GLU A 10 16.972 18.055 -19.022 1.00 25.00 C ATOM 125 CD GLU A 10 17.343 19.215 -19.917 1.00 25.00 C ATOM 126 OE1 GLU A 10 18.404 19.169 -20.563 1.00 25.00 O ATOM 127 OE2 GLU A 10 16.528 20.161 -20.009 1.00 25.00 O ATOM 0 H GLU A 10 18.796 15.065 -18.674 1.00 25.00 H new ATOM 0 HA GLU A 10 19.262 17.201 -19.336 1.00 25.00 H new ATOM 0 HB2 GLU A 10 17.423 17.362 -17.051 1.00 25.00 H new ATOM 0 HB3 GLU A 10 18.248 18.842 -17.499 1.00 25.00 H new ATOM 0 HG2 GLU A 10 16.940 17.141 -19.615 1.00 25.00 H new ATOM 0 HG3 GLU A 10 15.969 18.214 -18.627 1.00 25.00 H new ATOM 134 N ILE A 11 21.548 17.093 -18.215 1.00 25.00 N ATOM 135 CA ILE A 11 22.894 17.300 -17.784 1.00 25.00 C ATOM 136 C ILE A 11 23.310 18.774 -17.913 1.00 25.00 C ATOM 137 O ILE A 11 24.193 19.156 -18.674 1.00 25.00 O ATOM 138 CB ILE A 11 23.813 16.359 -18.632 1.00 25.00 C ATOM 139 CG1 ILE A 11 23.007 15.354 -19.513 1.00 25.00 C ATOM 140 CG2 ILE A 11 24.689 15.594 -17.693 1.00 25.00 C ATOM 141 CD1 ILE A 11 23.872 14.447 -20.412 1.00 25.00 C ATOM 0 H ILE A 11 21.500 16.550 -19.077 1.00 25.00 H new ATOM 0 HA ILE A 11 22.990 17.057 -16.726 1.00 25.00 H new ATOM 0 HB ILE A 11 24.394 16.982 -19.312 1.00 25.00 H new ATOM 0 HG12 ILE A 11 22.402 14.725 -18.861 1.00 25.00 H new ATOM 0 HG13 ILE A 11 22.318 15.916 -20.143 1.00 25.00 H new ATOM 0 HG21 ILE A 11 25.340 14.930 -18.262 1.00 25.00 H new ATOM 0 HG22 ILE A 11 25.297 16.289 -17.114 1.00 25.00 H new ATOM 0 HG23 ILE A 11 24.070 15.004 -17.017 1.00 25.00 H new ATOM 0 HD11 ILE A 11 23.227 13.783 -20.987 1.00 25.00 H new ATOM 0 HD12 ILE A 11 24.458 15.063 -21.094 1.00 25.00 H new ATOM 0 HD13 ILE A 11 24.543 13.853 -19.791 1.00 25.00 H new ATOM 153 N THR A 12 22.592 19.594 -17.178 1.00 25.00 N ATOM 154 CA THR A 12 22.791 21.044 -17.194 1.00 25.00 C ATOM 155 C THR A 12 24.099 21.436 -16.511 1.00 25.00 C ATOM 156 O THR A 12 24.634 20.699 -15.687 1.00 25.00 O ATOM 157 CB THR A 12 21.642 21.796 -16.472 1.00 25.00 C ATOM 158 OG1 THR A 12 21.540 21.338 -15.122 1.00 25.00 O ATOM 159 CG2 THR A 12 20.307 21.568 -17.159 1.00 25.00 C ATOM 0 H THR A 12 21.851 19.284 -16.549 1.00 25.00 H new ATOM 0 HA THR A 12 22.814 21.328 -18.246 1.00 25.00 H new ATOM 0 HB THR A 12 21.876 22.860 -16.502 1.00 25.00 H new ATOM 0 HG1 THR A 12 20.815 21.816 -14.668 1.00 25.00 H new ATOM 0 HG21 THR A 12 19.526 22.110 -16.626 1.00 25.00 H new ATOM 0 HG22 THR A 12 20.361 21.927 -18.187 1.00 25.00 H new ATOM 0 HG23 THR A 12 20.075 20.503 -17.158 1.00 25.00 H new ATOM 167 N SER A 13 24.560 22.645 -16.806 1.00 25.00 N ATOM 168 CA SER A 13 25.776 23.218 -16.209 1.00 25.00 C ATOM 169 C SER A 13 25.573 23.676 -14.768 1.00 25.00 C ATOM 170 O SER A 13 26.352 24.437 -14.232 1.00 25.00 O ATOM 171 CB SER A 13 26.176 24.439 -17.007 1.00 25.00 C ATOM 172 OG SER A 13 27.579 24.638 -16.987 1.00 25.00 O ATOM 0 H SER A 13 24.101 23.267 -17.472 1.00 25.00 H new ATOM 0 HA SER A 13 26.534 22.435 -16.221 1.00 25.00 H new ATOM 0 HB2 SER A 13 25.838 24.328 -18.037 1.00 25.00 H new ATOM 0 HB3 SER A 13 25.677 25.319 -16.601 1.00 25.00 H new ATOM 0 HG SER A 13 27.804 25.434 -17.513 1.00 25.00 H new ATOM 178 N SER A 14 24.475 23.241 -14.180 1.00 25.00 N ATOM 179 CA SER A 14 24.093 23.597 -12.807 1.00 25.00 C ATOM 180 C SER A 14 24.086 25.115 -12.526 1.00 25.00 C ATOM 181 O SER A 14 24.831 25.604 -11.660 1.00 25.00 O ATOM 182 CB SER A 14 25.011 22.885 -11.818 1.00 25.00 C ATOM 183 OG SER A 14 24.982 21.486 -12.045 1.00 25.00 O ATOM 0 H SER A 14 23.808 22.622 -14.640 1.00 25.00 H new ATOM 0 HA SER A 14 23.062 23.267 -12.681 1.00 25.00 H new ATOM 0 HB2 SER A 14 26.030 23.257 -11.923 1.00 25.00 H new ATOM 0 HB3 SER A 14 24.696 23.102 -10.797 1.00 25.00 H new ATOM 0 HG SER A 14 25.576 21.039 -11.406 1.00 25.00 H new ATOM 189 N PRO A 15 23.163 25.864 -13.180 1.00 25.00 N ATOM 190 CA PRO A 15 23.008 27.320 -12.992 1.00 25.00 C ATOM 191 C PRO A 15 22.480 27.712 -11.626 1.00 25.00 C ATOM 192 O PRO A 15 22.405 28.874 -11.262 1.00 25.00 O ATOM 193 CB PRO A 15 21.988 27.680 -14.050 1.00 25.00 C ATOM 194 CG PRO A 15 21.180 26.489 -14.209 1.00 25.00 C ATOM 195 CD PRO A 15 22.164 25.371 -14.151 1.00 25.00 C ATOM 0 HA PRO A 15 23.967 27.832 -13.070 1.00 25.00 H new ATOM 0 HB2 PRO A 15 21.381 28.531 -13.740 1.00 25.00 H new ATOM 0 HB3 PRO A 15 22.471 27.957 -14.987 1.00 25.00 H new ATOM 0 HG2 PRO A 15 20.434 26.405 -13.419 1.00 25.00 H new ATOM 0 HG3 PRO A 15 20.641 26.497 -15.156 1.00 25.00 H new ATOM 0 HD2 PRO A 15 21.701 24.442 -13.819 1.00 25.00 H new ATOM 0 HD3 PRO A 15 22.610 25.174 -15.126 1.00 25.00 H new ATOM 203 N GLN A 16 22.203 26.681 -10.857 1.00 25.00 N ATOM 204 CA GLN A 16 21.855 26.771 -9.433 1.00 25.00 C ATOM 205 C GLN A 16 22.992 27.389 -8.582 1.00 25.00 C ATOM 206 O GLN A 16 22.867 27.496 -7.366 1.00 25.00 O ATOM 207 CB GLN A 16 21.576 25.360 -8.899 1.00 25.00 C ATOM 208 CG GLN A 16 20.390 24.639 -9.541 1.00 25.00 C ATOM 209 CD GLN A 16 20.297 23.190 -9.083 1.00 25.00 C ATOM 210 OE1 GLN A 16 20.715 22.837 -7.980 1.00 25.00 O ATOM 211 NE2 GLN A 16 19.795 22.341 -9.939 1.00 25.00 N ATOM 0 H GLN A 16 22.211 25.722 -11.205 1.00 25.00 H new ATOM 0 HA GLN A 16 20.980 27.416 -9.353 1.00 25.00 H new ATOM 0 HB2 GLN A 16 22.470 24.752 -9.042 1.00 25.00 H new ATOM 0 HB3 GLN A 16 21.402 25.424 -7.825 1.00 25.00 H new ATOM 0 HG2 GLN A 16 19.467 25.161 -9.288 1.00 25.00 H new ATOM 0 HG3 GLN A 16 20.488 24.672 -10.626 1.00 25.00 H new ATOM 0 HE21 GLN A 16 19.458 22.669 -10.844 1.00 25.00 H new ATOM 0 HE22 GLN A 16 19.740 21.350 -9.702 1.00 25.00 H new ATOM 220 N GLY A 17 24.096 27.765 -9.216 1.00 25.00 N ATOM 221 CA GLY A 17 25.212 28.383 -8.515 1.00 25.00 C ATOM 222 C GLY A 17 26.208 27.363 -8.017 1.00 25.00 C ATOM 223 O GLY A 17 27.112 27.681 -7.254 1.00 25.00 O ATOM 0 H GLY A 17 24.241 27.651 -10.219 1.00 25.00 H new ATOM 0 HA2 GLY A 17 25.715 29.084 -9.182 1.00 25.00 H new ATOM 0 HA3 GLY A 17 24.834 28.961 -7.672 1.00 25.00 H new ATOM 227 N LEU A 18 26.042 26.121 -8.450 1.00 25.00 N ATOM 228 CA LEU A 18 26.928 25.046 -8.012 1.00 25.00 C ATOM 229 C LEU A 18 28.229 25.101 -8.791 1.00 25.00 C ATOM 230 O LEU A 18 29.306 24.894 -8.250 1.00 25.00 O ATOM 231 CB LEU A 18 26.269 23.682 -8.216 1.00 25.00 C ATOM 232 CG LEU A 18 24.903 23.493 -7.546 1.00 25.00 C ATOM 233 CD1 LEU A 18 24.365 22.097 -7.852 1.00 25.00 C ATOM 234 CD2 LEU A 18 24.964 23.703 -6.024 1.00 25.00 C ATOM 0 H LEU A 18 25.310 25.832 -9.098 1.00 25.00 H new ATOM 0 HA LEU A 18 27.131 25.181 -6.949 1.00 25.00 H new ATOM 0 HB2 LEU A 18 26.154 23.512 -9.286 1.00 25.00 H new ATOM 0 HB3 LEU A 18 26.945 22.913 -7.842 1.00 25.00 H new ATOM 0 HG LEU A 18 24.234 24.250 -7.954 1.00 25.00 H new ATOM 0 HD11 LEU A 18 23.394 21.968 -7.373 1.00 25.00 H new ATOM 0 HD12 LEU A 18 24.257 21.977 -8.930 1.00 25.00 H new ATOM 0 HD13 LEU A 18 25.059 21.348 -7.471 1.00 25.00 H new ATOM 0 HD21 LEU A 18 23.972 23.558 -5.597 1.00 25.00 H new ATOM 0 HD22 LEU A 18 25.657 22.985 -5.585 1.00 25.00 H new ATOM 0 HD23 LEU A 18 25.307 24.715 -5.810 1.00 25.00 H new ATOM 246 N ASP A 19 28.107 25.415 -10.068 1.00 25.00 N ATOM 247 CA ASP A 19 29.266 25.554 -10.946 1.00 25.00 C ATOM 248 C ASP A 19 29.920 26.908 -10.695 1.00 25.00 C ATOM 249 O ASP A 19 31.108 27.114 -10.921 1.00 25.00 O ATOM 250 CB ASP A 19 28.796 25.454 -12.390 1.00 25.00 C ATOM 251 CG ASP A 19 29.940 25.233 -13.367 1.00 25.00 C ATOM 252 OD1 ASP A 19 29.867 25.753 -14.500 1.00 25.00 O ATOM 253 OD2 ASP A 19 30.887 24.491 -13.021 1.00 25.00 O ATOM 0 H ASP A 19 27.212 25.581 -10.528 1.00 25.00 H new ATOM 0 HA ASP A 19 29.994 24.767 -10.748 1.00 25.00 H new ATOM 0 HB2 ASP A 19 28.084 24.634 -12.480 1.00 25.00 H new ATOM 0 HB3 ASP A 19 28.266 26.367 -12.659 1.00 25.00 H new ATOM 258 N ASN A 20 29.129 27.827 -10.154 1.00 25.00 N ATOM 259 CA ASN A 20 29.601 29.155 -9.812 1.00 25.00 C ATOM 260 C ASN A 20 29.484 29.472 -8.326 1.00 25.00 C ATOM 261 O ASN A 20 28.676 30.320 -7.920 1.00 25.00 O ATOM 262 CB ASN A 20 28.780 30.188 -10.576 1.00 25.00 C ATOM 263 CG ASN A 20 28.968 30.112 -12.059 1.00 25.00 C ATOM 264 OD1 ASN A 20 28.103 29.650 -12.767 1.00 25.00 O ATOM 265 ND2 ASN A 20 30.063 30.638 -12.538 1.00 25.00 N ATOM 0 H ASN A 20 28.144 27.669 -9.942 1.00 25.00 H new ATOM 0 HA ASN A 20 30.657 29.189 -10.079 1.00 25.00 H new ATOM 0 HB2 ASN A 20 27.724 30.048 -10.343 1.00 25.00 H new ATOM 0 HB3 ASN A 20 29.053 31.186 -10.232 1.00 25.00 H new ATOM 0 HD21 ASN A 20 30.215 30.671 -13.546 1.00 25.00 H new ATOM 0 HD22 ASN A 20 30.767 31.016 -11.904 1.00 25.00 H new ATOM 272 N PRO A 21 30.357 28.879 -7.501 1.00 25.00 N ATOM 273 CA PRO A 21 30.349 29.217 -6.076 1.00 25.00 C ATOM 274 C PRO A 21 30.676 30.680 -5.835 1.00 25.00 C ATOM 275 O PRO A 21 30.216 31.259 -4.874 1.00 25.00 O ATOM 276 CB PRO A 21 31.456 28.327 -5.508 1.00 25.00 C ATOM 277 CG PRO A 21 32.316 28.044 -6.659 1.00 25.00 C ATOM 278 CD PRO A 21 31.421 27.911 -7.809 1.00 25.00 C ATOM 0 HA PRO A 21 29.372 29.061 -5.618 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.006 28.833 -4.715 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.050 27.411 -5.080 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.035 28.848 -6.815 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.889 27.130 -6.503 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.926 28.148 -8.745 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.032 26.897 -7.905 1.00 25.00 H new ATOM 286 N ALA A 22 31.456 31.284 -6.720 1.00 25.00 N ATOM 287 CA ALA A 22 31.818 32.687 -6.578 1.00 25.00 C ATOM 288 C ALA A 22 30.574 33.578 -6.659 1.00 25.00 C ATOM 289 O ALA A 22 30.414 34.498 -5.856 1.00 25.00 O ATOM 290 CB ALA A 22 32.831 33.072 -7.658 1.00 25.00 C ATOM 0 H ALA A 22 31.850 30.826 -7.542 1.00 25.00 H new ATOM 0 HA ALA A 22 32.273 32.836 -5.599 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.099 34.123 -7.548 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.725 32.457 -7.554 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.392 32.911 -8.643 1.00 25.00 H new ATOM 296 N LEU A 23 29.701 33.286 -7.616 1.00 25.00 N ATOM 297 CA LEU A 23 28.480 34.072 -7.808 1.00 25.00 C ATOM 298 C LEU A 23 27.489 33.776 -6.700 1.00 25.00 C ATOM 299 O LEU A 23 26.846 34.674 -6.181 1.00 25.00 O ATOM 300 CB LEU A 23 27.806 33.752 -9.151 1.00 25.00 C ATOM 301 CG LEU A 23 28.597 33.996 -10.446 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.715 33.645 -11.644 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.079 35.428 -10.580 1.00 25.00 C ATOM 0 H LEU A 23 29.812 32.513 -8.272 1.00 25.00 H new ATOM 0 HA LEU A 23 28.769 35.123 -7.795 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.515 32.702 -9.134 1.00 25.00 H new ATOM 0 HB3 LEU A 23 26.888 34.337 -9.208 1.00 25.00 H new ATOM 0 HG LEU A 23 29.482 33.361 -10.412 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.270 33.816 -12.567 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.422 32.597 -11.585 1.00 25.00 H new ATOM 0 HD13 LEU A 23 26.823 34.272 -11.635 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.631 35.540 -11.513 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.222 36.102 -10.582 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.731 35.672 -9.741 1.00 25.00 H new ATOM 315 N LEU A 24 27.371 32.508 -6.332 1.00 25.00 N ATOM 316 CA LEU A 24 26.434 32.118 -5.286 1.00 25.00 C ATOM 317 C LEU A 24 26.842 32.750 -3.960 1.00 25.00 C ATOM 318 O LEU A 24 26.007 33.289 -3.249 1.00 25.00 O ATOM 319 CB LEU A 24 26.375 30.590 -5.167 1.00 25.00 C ATOM 320 CG LEU A 24 25.386 30.008 -4.140 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.017 30.695 -4.164 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.207 28.522 -4.399 1.00 25.00 C ATOM 0 H LEU A 24 27.905 31.739 -6.736 1.00 25.00 H new ATOM 0 HA LEU A 24 25.439 32.477 -5.548 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.125 30.183 -6.147 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.373 30.230 -4.918 1.00 25.00 H new ATOM 0 HG LEU A 24 25.813 30.184 -3.153 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.368 30.238 -3.417 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.138 31.755 -3.940 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.570 30.581 -5.152 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.507 28.108 -3.673 1.00 25.00 H new ATOM 0 HD22 LEU A 24 24.816 28.373 -5.406 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.169 28.018 -4.304 1.00 25.00 H new ATOM 334 N ARG A 25 28.133 32.742 -3.663 1.00 25.00 N ATOM 335 CA ARG A 25 28.659 33.389 -2.465 1.00 25.00 C ATOM 336 C ARG A 25 28.308 34.868 -2.497 1.00 25.00 C ATOM 337 O ARG A 25 27.881 35.420 -1.502 1.00 25.00 O ATOM 338 CB ARG A 25 30.181 33.197 -2.427 1.00 25.00 C ATOM 339 CG ARG A 25 30.934 33.968 -1.336 1.00 25.00 C ATOM 340 CD ARG A 25 32.279 34.465 -1.859 1.00 25.00 C ATOM 341 NE ARG A 25 32.088 35.359 -3.017 1.00 25.00 N ATOM 342 CZ ARG A 25 32.804 36.442 -3.295 1.00 25.00 C ATOM 343 NH1 ARG A 25 33.816 36.825 -2.557 1.00 25.00 N ATOM 344 NH2 ARG A 25 32.483 37.150 -4.337 1.00 25.00 N ATOM 0 H ARG A 25 28.843 32.291 -4.240 1.00 25.00 H new ATOM 0 HA ARG A 25 28.220 32.946 -1.571 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.389 32.134 -2.301 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.587 33.489 -3.395 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.333 34.814 -1.001 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.090 33.324 -0.470 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.810 34.994 -1.068 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.900 33.616 -2.146 1.00 25.00 H new ATOM 0 HE ARG A 25 31.336 35.123 -3.664 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.080 36.284 -1.733 1.00 25.00 H new ATOM 0 HH12 ARG A 25 34.340 37.664 -2.806 1.00 25.00 H new ATOM 0 HH21 ARG A 25 31.695 36.869 -4.921 1.00 25.00 H new ATOM 0 HH22 ARG A 25 33.019 37.986 -4.570 1.00 25.00 H new ATOM 358 N ASP A 26 28.484 35.507 -3.641 1.00 25.00 N ATOM 359 CA ASP A 26 28.218 36.941 -3.750 1.00 25.00 C ATOM 360 C ASP A 26 26.733 37.251 -3.539 1.00 25.00 C ATOM 361 O ASP A 26 26.378 38.149 -2.779 1.00 25.00 O ATOM 362 CB ASP A 26 28.677 37.447 -5.116 1.00 25.00 C ATOM 363 CG ASP A 26 29.090 38.899 -5.079 1.00 25.00 C ATOM 364 OD1 ASP A 26 28.296 39.772 -5.468 1.00 25.00 O ATOM 365 OD2 ASP A 26 30.246 39.156 -4.670 1.00 25.00 O ATOM 0 H ASP A 26 28.806 35.066 -4.502 1.00 25.00 H new ATOM 0 HA ASP A 26 28.777 37.454 -2.967 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.515 36.842 -5.463 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.871 37.319 -5.838 1.00 25.00 H new ATOM 370 N MET A 27 25.869 36.453 -4.152 1.00 25.00 N ATOM 371 CA MET A 27 24.422 36.617 -3.995 1.00 25.00 C ATOM 372 C MET A 27 24.020 36.415 -2.548 1.00 25.00 C ATOM 373 O MET A 27 23.214 37.158 -2.008 1.00 25.00 O ATOM 374 CB MET A 27 23.674 35.591 -4.849 1.00 25.00 C ATOM 375 CG MET A 27 22.158 35.776 -4.828 1.00 25.00 C ATOM 376 SD MET A 27 21.287 34.416 -5.631 1.00 25.00 S ATOM 377 CE MET A 27 21.258 33.172 -4.297 1.00 25.00 C ATOM 0 H MET A 27 26.141 35.684 -4.764 1.00 25.00 H new ATOM 0 HA MET A 27 24.164 37.627 -4.314 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.027 35.659 -5.878 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.915 34.589 -4.495 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.820 35.861 -3.795 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.902 36.712 -5.325 1.00 25.00 H new ATOM 0 HE1 MET A 27 21.069 32.187 -4.723 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.219 33.167 -3.783 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.469 33.418 -3.587 1.00 25.00 H new ATOM 387 N LEU A 28 24.575 35.390 -1.924 1.00 25.00 N ATOM 388 CA LEU A 28 24.253 35.065 -0.544 1.00 25.00 C ATOM 389 C LEU A 28 24.709 36.154 0.407 1.00 25.00 C ATOM 390 O LEU A 28 23.994 36.512 1.329 1.00 25.00 O ATOM 391 CB LEU A 28 24.914 33.767 -0.166 1.00 25.00 C ATOM 392 CG LEU A 28 24.078 32.552 -0.541 1.00 25.00 C ATOM 393 CD1 LEU A 28 24.980 31.378 -0.591 1.00 25.00 C ATOM 394 CD2 LEU A 28 22.971 32.341 0.474 1.00 25.00 C ATOM 0 H LEU A 28 25.256 34.764 -2.355 1.00 25.00 H new ATOM 0 HA LEU A 28 23.170 34.976 -0.464 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.884 33.701 -0.658 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.100 33.758 0.908 1.00 25.00 H new ATOM 0 HG LEU A 28 23.606 32.699 -1.513 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.407 30.490 -0.858 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.756 31.547 -1.337 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.441 31.232 0.386 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.381 31.469 0.193 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.407 32.182 1.460 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.328 33.221 0.499 1.00 25.00 H new ATOM 406 N LEU A 29 25.890 36.698 0.160 1.00 25.00 N ATOM 407 CA LEU A 29 26.426 37.782 0.992 1.00 25.00 C ATOM 408 C LEU A 29 25.508 38.994 0.910 1.00 25.00 C ATOM 409 O LEU A 29 25.283 39.691 1.898 1.00 25.00 O ATOM 410 CB LEU A 29 27.832 38.184 0.521 1.00 25.00 C ATOM 411 CG LEU A 29 28.995 37.273 0.946 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.230 37.574 0.096 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.326 37.442 2.428 1.00 25.00 C ATOM 0 H LEU A 29 26.500 36.413 -0.606 1.00 25.00 H new ATOM 0 HA LEU A 29 26.485 37.428 2.021 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.823 38.237 -0.568 1.00 25.00 H new ATOM 0 HB3 LEU A 29 28.038 39.190 0.887 1.00 25.00 H new ATOM 0 HG LEU A 29 28.688 36.239 0.788 1.00 25.00 H new ATOM 0 HD11 LEU A 29 31.050 36.925 0.403 1.00 25.00 H new ATOM 0 HD12 LEU A 29 30.001 37.397 -0.955 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.521 38.615 0.233 1.00 25.00 H new ATOM 0 HD21 LEU A 29 30.153 36.783 2.694 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.610 38.476 2.622 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.452 37.187 3.027 1.00 25.00 H new ATOM 425 N ALA A 30 24.975 39.228 -0.276 1.00 25.00 N ATOM 426 CA ALA A 30 24.085 40.357 -0.520 1.00 25.00 C ATOM 427 C ALA A 30 22.641 40.094 -0.059 1.00 25.00 C ATOM 428 O ALA A 30 21.830 41.020 -0.011 1.00 25.00 O ATOM 429 CB ALA A 30 24.100 40.694 -2.018 1.00 25.00 C ATOM 0 H ALA A 30 25.144 38.645 -1.096 1.00 25.00 H new ATOM 0 HA ALA A 30 24.454 41.197 0.069 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.436 41.538 -2.208 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.114 40.954 -2.322 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.760 39.830 -2.589 1.00 25.00 H new ATOM 435 N ASN A 31 22.300 38.844 0.231 1.00 25.00 N ATOM 436 CA ASN A 31 20.916 38.486 0.545 1.00 25.00 C ATOM 437 C ASN A 31 20.726 38.078 2.009 1.00 25.00 C ATOM 438 O ASN A 31 20.994 36.934 2.382 1.00 25.00 O ATOM 439 CB ASN A 31 20.463 37.346 -0.364 1.00 25.00 C ATOM 440 CG ASN A 31 18.973 37.191 -0.388 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.304 37.264 0.640 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.435 36.989 -1.557 1.00 25.00 N ATOM 0 H ASN A 31 22.956 38.063 0.256 1.00 25.00 H new ATOM 0 HA ASN A 31 20.309 39.375 0.376 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.823 37.528 -1.377 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.917 36.414 -0.027 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.424 36.885 -1.642 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.025 36.935 -2.387 1.00 25.00 H new ATOM 449 N PRO A 32 20.211 38.991 2.850 1.00 25.00 N ATOM 450 CA PRO A 32 20.081 38.636 4.269 1.00 25.00 C ATOM 451 C PRO A 32 19.092 37.503 4.573 1.00 25.00 C ATOM 452 O PRO A 32 19.231 36.814 5.576 1.00 25.00 O ATOM 453 CB PRO A 32 19.634 39.955 4.908 1.00 25.00 C ATOM 454 CG PRO A 32 18.936 40.675 3.808 1.00 25.00 C ATOM 455 CD PRO A 32 19.759 40.372 2.602 1.00 25.00 C ATOM 0 HA PRO A 32 21.017 38.234 4.657 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.970 39.782 5.755 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.485 40.526 5.281 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.910 40.326 3.690 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.888 41.747 4.000 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.175 40.447 1.685 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.598 41.060 2.502 1.00 25.00 H new ATOM 463 N HIS A 33 18.101 37.298 3.716 1.00 25.00 N ATOM 464 CA HIS A 33 17.137 36.218 3.921 1.00 25.00 C ATOM 465 C HIS A 33 17.741 34.864 3.558 1.00 25.00 C ATOM 466 O HIS A 33 17.553 33.869 4.256 1.00 25.00 O ATOM 467 CB HIS A 33 15.893 36.459 3.060 1.00 25.00 C ATOM 468 CG HIS A 33 14.825 35.429 3.250 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.846 35.495 4.211 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.587 34.262 2.585 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.080 34.414 4.099 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.485 33.627 3.124 1.00 25.00 N ATOM 0 H HIS A 33 17.941 37.858 2.879 1.00 25.00 H new ATOM 0 HA HIS A 33 16.864 36.208 4.976 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.484 37.442 3.294 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.186 36.477 2.010 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.174 33.889 1.759 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.229 34.207 4.731 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.074 32.741 2.830 1.00 25.00 H new ATOM 480 N GLU A 34 18.450 34.828 2.444 1.00 25.00 N ATOM 481 CA GLU A 34 18.987 33.577 1.914 1.00 25.00 C ATOM 482 C GLU A 34 20.167 33.139 2.767 1.00 25.00 C ATOM 483 O GLU A 34 20.304 31.981 3.115 1.00 25.00 O ATOM 484 CB GLU A 34 19.401 33.768 0.455 1.00 25.00 C ATOM 485 CG GLU A 34 18.411 33.207 -0.561 1.00 25.00 C ATOM 486 CD GLU A 34 18.404 31.678 -0.615 1.00 25.00 C ATOM 487 OE1 GLU A 34 19.373 31.043 -0.147 1.00 25.00 O ATOM 488 OE2 GLU A 34 17.411 31.114 -1.123 1.00 25.00 O ATOM 0 H GLU A 34 18.671 35.651 1.884 1.00 25.00 H new ATOM 0 HA GLU A 34 18.224 32.799 1.948 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.534 34.833 0.264 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.370 33.293 0.300 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.409 33.560 -0.316 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.654 33.598 -1.549 1.00 25.00 H new ATOM 495 N LEU A 35 20.971 34.091 3.201 1.00 25.00 N ATOM 496 CA LEU A 35 22.079 33.783 4.092 1.00 25.00 C ATOM 497 C LEU A 35 21.568 33.219 5.422 1.00 25.00 C ATOM 498 O LEU A 35 22.243 32.433 6.076 1.00 25.00 O ATOM 499 CB LEU A 35 22.968 34.998 4.241 1.00 25.00 C ATOM 500 CG LEU A 35 22.749 36.121 5.249 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.927 35.743 6.708 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.774 37.149 4.854 1.00 25.00 C ATOM 0 H LEU A 35 20.881 35.077 2.955 1.00 25.00 H new ATOM 0 HA LEU A 35 22.697 32.995 3.661 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.970 34.615 4.432 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.991 35.475 3.261 1.00 25.00 H new ATOM 0 HG LEU A 35 21.712 36.454 5.207 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.748 36.617 7.335 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.218 34.957 6.969 1.00 25.00 H new ATOM 0 HD13 LEU A 35 23.943 35.383 6.869 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.703 38.008 5.521 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.771 36.715 4.926 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.591 37.470 3.828 1.00 25.00 H new ATOM 514 N SER A 36 20.375 33.648 5.817 1.00 25.00 N ATOM 515 CA SER A 36 19.743 33.221 7.068 1.00 25.00 C ATOM 516 C SER A 36 19.205 31.798 6.957 1.00 25.00 C ATOM 517 O SER A 36 19.351 30.999 7.873 1.00 25.00 O ATOM 518 CB SER A 36 18.606 34.171 7.445 1.00 25.00 C ATOM 519 OG SER A 36 18.117 33.878 8.742 1.00 25.00 O ATOM 0 H SER A 36 19.812 34.306 5.278 1.00 25.00 H new ATOM 0 HA SER A 36 20.505 33.244 7.847 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.959 35.201 7.409 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.798 34.085 6.718 1.00 25.00 H new ATOM 0 HG SER A 36 17.391 34.497 8.966 1.00 25.00 H new ATOM 525 N LEU A 37 18.628 31.450 5.819 1.00 25.00 N ATOM 526 CA LEU A 37 18.164 30.080 5.624 1.00 25.00 C ATOM 527 C LEU A 37 19.346 29.193 5.528 1.00 25.00 C ATOM 528 O LEU A 37 19.321 28.059 5.942 1.00 25.00 O ATOM 529 CB LEU A 37 17.272 29.955 4.405 1.00 25.00 C ATOM 530 CG LEU A 37 17.687 29.969 2.929 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.357 28.697 2.470 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.413 30.190 2.110 1.00 25.00 C ATOM 0 H LEU A 37 18.470 32.078 5.031 1.00 25.00 H new ATOM 0 HA LEU A 37 17.553 29.782 6.476 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.734 29.017 4.541 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.542 30.758 4.503 1.00 25.00 H new ATOM 0 HG LEU A 37 18.424 30.760 2.791 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.620 28.784 1.416 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.260 28.529 3.057 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.675 27.857 2.605 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.661 30.207 1.049 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.710 29.380 2.305 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.959 31.140 2.392 1.00 25.00 H new ATOM 544 N LEU A 38 20.396 29.723 4.958 1.00 25.00 N ATOM 545 CA LEU A 38 21.599 28.969 4.773 1.00 25.00 C ATOM 546 C LEU A 38 22.236 28.559 6.084 1.00 25.00 C ATOM 547 O LEU A 38 22.627 27.423 6.241 1.00 25.00 O ATOM 548 CB LEU A 38 22.542 29.796 3.944 1.00 25.00 C ATOM 549 CG LEU A 38 23.802 29.030 3.521 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.435 27.911 2.585 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.819 29.939 2.882 1.00 25.00 C ATOM 0 H LEU A 38 20.438 30.682 4.613 1.00 25.00 H new ATOM 0 HA LEU A 38 21.359 28.038 4.260 1.00 25.00 H new ATOM 0 HB2 LEU A 38 22.021 30.147 3.053 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.835 30.680 4.511 1.00 25.00 H new ATOM 0 HG LEU A 38 24.257 28.612 4.419 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.336 27.373 2.290 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.751 27.226 3.087 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.951 28.322 1.699 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.697 29.359 2.596 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.386 30.403 1.996 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.111 30.714 3.591 1.00 25.00 H new ATOM 563 N LYS A 39 22.294 29.455 7.052 1.00 25.00 N ATOM 564 CA LYS A 39 22.811 29.076 8.380 1.00 25.00 C ATOM 565 C LYS A 39 21.884 28.117 9.114 1.00 25.00 C ATOM 566 O LYS A 39 22.347 27.341 9.937 1.00 25.00 O ATOM 567 CB LYS A 39 23.145 30.292 9.254 1.00 25.00 C ATOM 568 CG LYS A 39 22.100 31.393 9.256 1.00 25.00 C ATOM 569 CD LYS A 39 22.412 32.505 10.245 1.00 25.00 C ATOM 570 CE LYS A 39 23.590 33.356 9.766 1.00 25.00 C ATOM 571 NZ LYS A 39 23.855 34.501 10.699 1.00 25.00 N ATOM 0 H LYS A 39 22.001 30.428 6.962 1.00 25.00 H new ATOM 0 HA LYS A 39 23.745 28.548 8.190 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.294 29.953 10.279 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.092 30.713 8.917 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.024 31.816 8.254 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.127 30.963 9.496 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.533 33.136 10.376 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.643 32.075 11.219 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.482 32.734 9.689 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.381 33.740 8.767 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.659 35.058 10.346 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.012 35.107 10.753 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.078 34.133 11.646 1.00 25.00 H new ATOM 585 N GLU A 40 20.599 28.148 8.807 1.00 25.00 N ATOM 586 CA GLU A 40 19.653 27.220 9.425 1.00 25.00 C ATOM 587 C GLU A 40 19.739 25.837 8.762 1.00 25.00 C ATOM 588 O GLU A 40 19.905 24.825 9.432 1.00 25.00 O ATOM 589 CB GLU A 40 18.231 27.792 9.309 1.00 25.00 C ATOM 590 CG GLU A 40 17.172 27.063 10.152 1.00 25.00 C ATOM 591 CD GLU A 40 16.484 25.909 9.418 1.00 25.00 C ATOM 592 OE1 GLU A 40 16.179 26.052 8.207 1.00 25.00 O ATOM 593 OE2 GLU A 40 16.170 24.895 10.075 1.00 25.00 O ATOM 0 H GLU A 40 20.184 28.798 8.140 1.00 25.00 H new ATOM 0 HA GLU A 40 19.905 27.099 10.479 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.251 28.841 9.605 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.926 27.761 8.263 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.644 26.677 11.056 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.416 27.781 10.469 1.00 25.00 H new ATOM 600 N ARG A 41 19.641 25.805 7.439 1.00 25.00 N ATOM 601 CA ARG A 41 19.631 24.534 6.689 1.00 25.00 C ATOM 602 C ARG A 41 20.991 23.912 6.436 1.00 25.00 C ATOM 603 O ARG A 41 21.116 22.695 6.343 1.00 25.00 O ATOM 604 CB ARG A 41 18.962 24.752 5.334 1.00 25.00 C ATOM 605 CG ARG A 41 17.554 25.233 5.480 1.00 25.00 C ATOM 606 CD ARG A 41 16.858 25.373 4.158 1.00 25.00 C ATOM 607 NE ARG A 41 15.549 26.013 4.356 1.00 25.00 N ATOM 608 CZ ARG A 41 14.767 26.478 3.390 1.00 25.00 C ATOM 609 NH1 ARG A 41 15.094 26.405 2.122 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.632 27.034 3.711 1.00 25.00 N ATOM 0 H ARG A 41 19.567 26.638 6.855 1.00 25.00 H new ATOM 0 HA ARG A 41 19.086 23.839 7.328 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.536 25.478 4.758 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.971 23.819 4.770 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.998 24.537 6.108 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.553 26.195 5.992 1.00 25.00 H new ATOM 0 HD2 ARG A 41 17.466 25.968 3.477 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.729 24.393 3.698 1.00 25.00 H new ATOM 0 HE ARG A 41 15.215 26.107 5.315 1.00 25.00 H new ATOM 0 HH11 ARG A 41 15.979 25.978 1.847 1.00 25.00 H new ATOM 0 HH12 ARG A 41 14.464 26.775 1.411 1.00 25.00 H new ATOM 0 HH21 ARG A 41 13.358 27.106 4.691 1.00 25.00 H new ATOM 0 HH22 ARG A 41 13.018 27.397 2.982 1.00 25.00 H new ATOM 624 N ASN A 42 21.992 24.749 6.242 1.00 25.00 N ATOM 625 CA ASN A 42 23.345 24.289 5.909 1.00 25.00 C ATOM 626 C ASN A 42 24.440 25.040 6.668 1.00 25.00 C ATOM 627 O ASN A 42 25.246 25.762 6.059 1.00 25.00 O ATOM 628 CB ASN A 42 23.601 24.453 4.408 1.00 25.00 C ATOM 629 CG ASN A 42 24.641 23.501 3.897 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.245 22.760 4.651 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.854 23.505 2.615 1.00 25.00 N ATOM 0 H ASN A 42 21.901 25.763 6.308 1.00 25.00 H new ATOM 0 HA ASN A 42 23.390 23.241 6.204 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.670 24.295 3.864 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.919 25.476 4.206 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.546 22.874 2.211 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.329 24.140 2.013 1.00 25.00 H new ATOM 638 N PRO A 43 24.512 24.871 8.000 1.00 25.00 N ATOM 639 CA PRO A 43 25.556 25.628 8.705 1.00 25.00 C ATOM 640 C PRO A 43 27.015 25.498 8.203 1.00 25.00 C ATOM 641 O PRO A 43 27.727 26.502 8.209 1.00 25.00 O ATOM 642 CB PRO A 43 25.398 25.174 10.166 1.00 25.00 C ATOM 643 CG PRO A 43 24.609 23.905 10.107 1.00 25.00 C ATOM 644 CD PRO A 43 23.701 24.065 8.933 1.00 25.00 C ATOM 0 HA PRO A 43 25.402 26.693 8.531 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.369 25.011 10.633 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.882 25.930 10.758 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.262 23.040 9.985 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.042 23.750 11.025 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.425 23.103 8.501 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.774 24.571 9.204 1.00 25.00 H new ATOM 652 N PRO A 44 27.469 24.317 7.703 1.00 25.00 N ATOM 653 CA PRO A 44 28.855 24.410 7.215 1.00 25.00 C ATOM 654 C PRO A 44 29.071 25.266 5.946 1.00 25.00 C ATOM 655 O PRO A 44 30.135 25.859 5.786 1.00 25.00 O ATOM 656 CB PRO A 44 29.230 22.948 6.970 1.00 25.00 C ATOM 657 CG PRO A 44 27.962 22.297 6.642 1.00 25.00 C ATOM 658 CD PRO A 44 26.957 22.938 7.550 1.00 25.00 C ATOM 0 HA PRO A 44 29.478 24.931 7.942 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.948 22.853 6.155 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.689 22.502 7.853 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.700 22.446 5.594 1.00 25.00 H new ATOM 0 HG3 PRO A 44 28.015 21.221 6.808 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.957 22.926 7.116 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.895 22.423 8.509 1.00 25.00 H new ATOM 666 N LEU A 45 28.089 25.377 5.051 1.00 25.00 N ATOM 667 CA LEU A 45 28.260 26.273 3.899 1.00 25.00 C ATOM 668 C LEU A 45 28.092 27.694 4.391 1.00 25.00 C ATOM 669 O LEU A 45 28.734 28.624 3.915 1.00 25.00 O ATOM 670 CB LEU A 45 27.246 25.999 2.790 1.00 25.00 C ATOM 671 CG LEU A 45 27.495 26.759 1.467 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.898 26.502 0.890 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.454 26.340 0.439 1.00 25.00 C ATOM 0 H LEU A 45 27.199 24.881 5.092 1.00 25.00 H new ATOM 0 HA LEU A 45 29.250 26.106 3.474 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.241 24.929 2.580 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.252 26.256 3.157 1.00 25.00 H new ATOM 0 HG LEU A 45 27.419 27.823 1.689 1.00 25.00 H new ATOM 0 HD11 LEU A 45 29.017 27.060 -0.038 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.652 26.826 1.608 1.00 25.00 H new ATOM 0 HD13 LEU A 45 29.020 25.437 0.691 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.628 26.875 -0.494 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.529 25.267 0.262 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.458 26.577 0.812 1.00 25.00 H new ATOM 685 N ALA A 46 27.226 27.856 5.373 1.00 25.00 N ATOM 686 CA ALA A 46 27.009 29.171 5.943 1.00 25.00 C ATOM 687 C ALA A 46 28.273 29.742 6.577 1.00 25.00 C ATOM 688 O ALA A 46 28.611 30.871 6.297 1.00 25.00 O ATOM 689 CB ALA A 46 25.910 29.124 6.942 1.00 25.00 C ATOM 0 H ALA A 46 26.670 27.108 5.787 1.00 25.00 H new ATOM 0 HA ALA A 46 26.728 29.835 5.126 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.758 30.118 7.362 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.992 28.790 6.458 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.173 28.429 7.740 1.00 25.00 H new ATOM 695 N GLU A 47 28.969 28.988 7.422 1.00 25.00 N ATOM 696 CA GLU A 47 30.169 29.522 8.096 1.00 25.00 C ATOM 697 C GLU A 47 31.238 29.902 7.073 1.00 25.00 C ATOM 698 O GLU A 47 31.967 30.888 7.242 1.00 25.00 O ATOM 699 CB GLU A 47 30.733 28.540 9.130 1.00 25.00 C ATOM 700 CG GLU A 47 31.255 27.238 8.558 1.00 25.00 C ATOM 701 CD GLU A 47 32.043 26.451 9.576 1.00 25.00 C ATOM 702 OE1 GLU A 47 31.451 25.620 10.292 1.00 25.00 O ATOM 703 OE2 GLU A 47 33.276 26.683 9.661 1.00 25.00 O ATOM 0 H GLU A 47 28.737 28.023 7.660 1.00 25.00 H new ATOM 0 HA GLU A 47 29.865 30.420 8.635 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.541 29.031 9.672 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.953 28.313 9.857 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.418 26.636 8.203 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.886 27.448 7.694 1.00 25.00 H new ATOM 710 N ALA A 48 31.279 29.160 5.978 1.00 25.00 N ATOM 711 CA ALA A 48 32.137 29.451 4.871 1.00 25.00 C ATOM 712 C ALA A 48 31.846 30.822 4.284 1.00 25.00 C ATOM 713 O ALA A 48 32.759 31.607 4.021 1.00 25.00 O ATOM 714 CB ALA A 48 31.960 28.360 3.827 1.00 25.00 C ATOM 0 H ALA A 48 30.703 28.329 5.844 1.00 25.00 H new ATOM 0 HA ALA A 48 33.172 29.472 5.212 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.607 28.564 2.974 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.225 27.395 4.260 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.921 28.337 3.497 1.00 25.00 H new ATOM 720 N LEU A 49 30.569 31.119 4.129 1.00 25.00 N ATOM 721 CA LEU A 49 30.141 32.401 3.610 1.00 25.00 C ATOM 722 C LEU A 49 30.495 33.523 4.584 1.00 25.00 C ATOM 723 O LEU A 49 30.934 34.589 4.174 1.00 25.00 O ATOM 724 CB LEU A 49 28.622 32.381 3.419 1.00 25.00 C ATOM 725 CG LEU A 49 28.030 33.619 2.749 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.138 33.469 1.255 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.583 33.797 3.181 1.00 25.00 C ATOM 0 H LEU A 49 29.806 30.482 4.358 1.00 25.00 H new ATOM 0 HA LEU A 49 30.647 32.580 2.661 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.359 31.506 2.824 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.152 32.257 4.394 1.00 25.00 H new ATOM 0 HG LEU A 49 28.582 34.509 3.051 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.717 34.350 0.770 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.186 33.366 0.974 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.589 32.582 0.938 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.166 34.682 2.700 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.006 32.919 2.890 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.539 33.918 4.263 1.00 25.00 H new ATOM 739 N LEU A 50 30.302 33.273 5.877 1.00 25.00 N ATOM 740 CA LEU A 50 30.526 34.303 6.904 1.00 25.00 C ATOM 741 C LEU A 50 31.986 34.715 6.943 1.00 25.00 C ATOM 742 O LEU A 50 32.320 35.846 7.269 1.00 25.00 O ATOM 743 CB LEU A 50 30.155 33.801 8.311 1.00 25.00 C ATOM 744 CG LEU A 50 28.811 33.100 8.549 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.567 32.935 10.033 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.629 33.774 7.868 1.00 25.00 C ATOM 0 H LEU A 50 29.993 32.373 6.243 1.00 25.00 H new ATOM 0 HA LEU A 50 29.890 35.146 6.634 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.939 33.113 8.626 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.196 34.659 8.982 1.00 25.00 H new ATOM 0 HG LEU A 50 28.888 32.119 8.080 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.611 32.437 10.191 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.366 32.335 10.468 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.549 33.915 10.510 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.718 33.217 8.086 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.528 34.794 8.239 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.793 33.795 6.791 1.00 25.00 H new ATOM 758 N SER A 51 32.854 33.766 6.629 1.00 25.00 N ATOM 759 CA SER A 51 34.278 33.997 6.636 1.00 25.00 C ATOM 760 C SER A 51 34.717 34.845 5.444 1.00 25.00 C ATOM 761 O SER A 51 35.775 35.459 5.466 1.00 25.00 O ATOM 762 CB SER A 51 34.975 32.662 6.566 1.00 25.00 C ATOM 763 OG SER A 51 34.583 31.815 7.639 1.00 25.00 O ATOM 0 H SER A 51 32.586 32.818 6.364 1.00 25.00 H new ATOM 0 HA SER A 51 34.538 34.535 7.548 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.745 32.179 5.616 1.00 25.00 H new ATOM 0 HB3 SER A 51 36.054 32.811 6.594 1.00 25.00 H new ATOM 0 HG SER A 51 33.667 31.500 7.489 1.00 25.00 H new ATOM 769 N GLY A 52 33.923 34.818 4.377 1.00 25.00 N ATOM 770 CA GLY A 52 34.242 35.561 3.165 1.00 25.00 C ATOM 771 C GLY A 52 35.196 34.809 2.255 1.00 25.00 C ATOM 772 O GLY A 52 35.397 35.182 1.097 1.00 25.00 O ATOM 0 H GLY A 52 33.053 34.288 4.329 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.322 35.777 2.622 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.684 36.520 3.436 1.00 25.00 H new ATOM 776 N ASP A 53 35.782 33.742 2.779 1.00 25.00 N ATOM 777 CA ASP A 53 36.743 32.935 2.032 1.00 25.00 C ATOM 778 C ASP A 53 36.058 32.153 0.919 1.00 25.00 C ATOM 779 O ASP A 53 35.302 31.212 1.180 1.00 25.00 O ATOM 780 CB ASP A 53 37.430 31.917 2.939 1.00 25.00 C ATOM 781 CG ASP A 53 38.509 31.166 2.223 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.973 31.647 1.169 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.833 30.049 2.662 1.00 25.00 O ATOM 0 H ASP A 53 35.608 33.411 3.728 1.00 25.00 H new ATOM 0 HA ASP A 53 37.472 33.631 1.617 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.856 32.429 3.802 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.690 31.213 3.320 1.00 25.00 H new ATOM 788 N LEU A 54 36.351 32.502 -0.324 1.00 25.00 N ATOM 789 CA LEU A 54 35.805 31.764 -1.452 1.00 25.00 C ATOM 790 C LEU A 54 36.324 30.331 -1.429 1.00 25.00 C ATOM 791 O LEU A 54 35.594 29.418 -1.747 1.00 25.00 O ATOM 792 CB LEU A 54 36.181 32.430 -2.775 1.00 25.00 C ATOM 793 CG LEU A 54 35.605 31.830 -4.079 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.495 30.737 -4.672 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.156 31.319 -3.958 1.00 25.00 C ATOM 0 H LEU A 54 36.957 33.283 -0.576 1.00 25.00 H new ATOM 0 HA LEU A 54 34.718 31.760 -1.367 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.872 33.474 -2.723 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.268 32.423 -2.856 1.00 25.00 H new ATOM 0 HG LEU A 54 35.587 32.677 -4.765 1.00 25.00 H new ATOM 0 HD11 LEU A 54 36.040 30.353 -5.585 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.476 31.152 -4.902 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.604 29.926 -3.952 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.831 30.915 -4.917 1.00 25.00 H new ATOM 0 HD22 LEU A 54 34.108 30.537 -3.200 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.502 32.143 -3.671 1.00 25.00 H new ATOM 807 N GLU A 55 37.572 30.122 -1.038 1.00 25.00 N ATOM 808 CA GLU A 55 38.125 28.763 -1.003 1.00 25.00 C ATOM 809 C GLU A 55 37.282 27.873 -0.122 1.00 25.00 C ATOM 810 O GLU A 55 36.823 26.823 -0.557 1.00 25.00 O ATOM 811 CB GLU A 55 39.535 28.745 -0.438 1.00 25.00 C ATOM 812 CG GLU A 55 40.585 29.162 -1.390 1.00 25.00 C ATOM 813 CD GLU A 55 41.063 27.998 -2.249 1.00 25.00 C ATOM 814 OE1 GLU A 55 41.624 27.023 -1.687 1.00 25.00 O ATOM 815 OE2 GLU A 55 40.826 28.025 -3.472 1.00 25.00 O ATOM 0 H GLU A 55 38.216 30.856 -0.744 1.00 25.00 H new ATOM 0 HA GLU A 55 38.133 28.404 -2.032 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.572 29.400 0.433 1.00 25.00 H new ATOM 0 HB3 GLU A 55 39.759 27.737 -0.089 1.00 25.00 H new ATOM 0 HG2 GLU A 55 40.200 29.954 -2.032 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.429 29.579 -0.841 1.00 25.00 H new ATOM 822 N LYS A 56 37.068 28.279 1.122 1.00 25.00 N ATOM 823 CA LYS A 56 36.269 27.454 2.030 1.00 25.00 C ATOM 824 C LYS A 56 34.834 27.362 1.531 1.00 25.00 C ATOM 825 O LYS A 56 34.261 26.289 1.562 1.00 25.00 O ATOM 826 CB LYS A 56 36.389 27.896 3.510 1.00 25.00 C ATOM 827 CG LYS A 56 35.501 28.920 4.011 1.00 25.00 C ATOM 828 CD LYS A 56 36.022 29.419 5.374 1.00 25.00 C ATOM 829 CE LYS A 56 35.382 28.659 6.551 1.00 25.00 C ATOM 830 NZ LYS A 56 35.871 29.105 7.900 1.00 25.00 N ATOM 0 H LYS A 56 37.423 29.148 1.521 1.00 25.00 H new ATOM 0 HA LYS A 56 36.678 26.444 2.021 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.252 27.010 4.130 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.411 28.241 3.668 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.445 29.748 3.304 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.491 28.523 4.117 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.105 29.302 5.413 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.813 30.484 5.474 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.300 28.785 6.507 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.584 27.594 6.436 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.503 28.464 8.632 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.911 29.088 7.915 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.538 30.072 8.088 1.00 25.00 H new ATOM 844 N PHE A 57 34.278 28.439 0.990 1.00 25.00 N ATOM 845 CA PHE A 57 32.930 28.375 0.425 1.00 25.00 C ATOM 846 C PHE A 57 32.833 27.357 -0.709 1.00 25.00 C ATOM 847 O PHE A 57 31.994 26.475 -0.664 1.00 25.00 O ATOM 848 CB PHE A 57 32.476 29.756 -0.046 1.00 25.00 C ATOM 849 CG PHE A 57 31.049 29.785 -0.519 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.003 30.033 0.391 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.735 29.547 -1.871 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.654 30.039 -0.042 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.388 29.545 -2.310 1.00 25.00 C ATOM 854 CZ PHE A 57 28.350 29.792 -1.397 1.00 25.00 C ATOM 0 H PHE A 57 34.727 29.353 0.929 1.00 25.00 H new ATOM 0 HA PHE A 57 32.261 28.040 1.218 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.595 30.468 0.771 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.126 30.088 -0.855 1.00 25.00 H new ATOM 0 HD1 PHE A 57 30.232 30.221 1.430 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.529 29.364 -2.580 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.860 30.232 0.664 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.159 29.353 -3.348 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.323 29.793 -1.731 1.00 25.00 H new ATOM 864 N SER A 58 33.704 27.458 -1.700 1.00 25.00 N ATOM 865 CA SER A 58 33.694 26.547 -2.840 1.00 25.00 C ATOM 866 C SER A 58 33.992 25.112 -2.435 1.00 25.00 C ATOM 867 O SER A 58 33.339 24.189 -2.885 1.00 25.00 O ATOM 868 CB SER A 58 34.740 27.003 -3.861 1.00 25.00 C ATOM 869 OG SER A 58 34.724 26.174 -5.007 1.00 25.00 O ATOM 0 H SER A 58 34.435 28.168 -1.740 1.00 25.00 H new ATOM 0 HA SER A 58 32.693 26.571 -3.270 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.544 28.035 -4.152 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.730 26.982 -3.406 1.00 25.00 H new ATOM 0 HG SER A 58 35.399 26.485 -5.645 1.00 25.00 H new ATOM 875 N ARG A 59 34.967 24.917 -1.568 1.00 25.00 N ATOM 876 CA ARG A 59 35.352 23.577 -1.139 1.00 25.00 C ATOM 877 C ARG A 59 34.208 22.867 -0.438 1.00 25.00 C ATOM 878 O ARG A 59 33.915 21.712 -0.714 1.00 25.00 O ATOM 879 CB ARG A 59 36.528 23.721 -0.195 1.00 25.00 C ATOM 880 CG ARG A 59 37.149 22.432 0.275 1.00 25.00 C ATOM 881 CD ARG A 59 38.072 22.736 1.440 1.00 25.00 C ATOM 882 NE ARG A 59 38.966 23.878 1.147 1.00 25.00 N ATOM 883 CZ ARG A 59 40.069 23.840 0.401 1.00 25.00 C ATOM 884 NH1 ARG A 59 40.521 22.735 -0.139 1.00 25.00 N ATOM 885 NH2 ARG A 59 40.713 24.949 0.185 1.00 25.00 N ATOM 0 H ARG A 59 35.511 25.668 -1.143 1.00 25.00 H new ATOM 0 HA ARG A 59 35.617 22.976 -2.009 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.297 24.314 -0.690 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.202 24.286 0.678 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.375 21.728 0.580 1.00 25.00 H new ATOM 0 HG3 ARG A 59 37.706 21.962 -0.536 1.00 25.00 H new ATOM 0 HD2 ARG A 59 37.478 22.957 2.327 1.00 25.00 H new ATOM 0 HD3 ARG A 59 38.671 21.855 1.669 1.00 25.00 H new ATOM 0 HE ARG A 59 38.714 24.779 1.554 1.00 25.00 H new ATOM 0 HH11 ARG A 59 40.023 21.856 0.005 1.00 25.00 H new ATOM 0 HH12 ARG A 59 41.370 22.753 -0.703 1.00 25.00 H new ATOM 0 HH21 ARG A 59 40.371 25.823 0.584 1.00 25.00 H new ATOM 0 HH22 ARG A 59 41.560 24.944 -0.383 1.00 25.00 H new ATOM 899 N VAL A 60 33.545 23.575 0.456 1.00 25.00 N ATOM 900 CA VAL A 60 32.420 23.022 1.186 1.00 25.00 C ATOM 901 C VAL A 60 31.252 22.816 0.221 1.00 25.00 C ATOM 902 O VAL A 60 30.508 21.838 0.327 1.00 25.00 O ATOM 903 CB VAL A 60 32.033 23.959 2.353 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.783 23.498 2.992 1.00 25.00 C ATOM 905 CG2 VAL A 60 33.156 23.990 3.404 1.00 25.00 C ATOM 0 H VAL A 60 33.768 24.541 0.696 1.00 25.00 H new ATOM 0 HA VAL A 60 32.690 22.057 1.615 1.00 25.00 H new ATOM 0 HB VAL A 60 31.883 24.961 1.951 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.525 24.169 3.812 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.978 23.496 2.257 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.923 22.489 3.379 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.872 24.653 4.221 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.318 22.985 3.793 1.00 25.00 H new ATOM 0 HG23 VAL A 60 34.075 24.354 2.944 1.00 25.00 H new ATOM 915 N LEU A 61 31.126 23.701 -0.757 1.00 25.00 N ATOM 916 CA LEU A 61 30.105 23.558 -1.785 1.00 25.00 C ATOM 917 C LEU A 61 30.288 22.233 -2.530 1.00 25.00 C ATOM 918 O LEU A 61 29.319 21.547 -2.787 1.00 25.00 O ATOM 919 CB LEU A 61 30.184 24.726 -2.773 1.00 25.00 C ATOM 920 CG LEU A 61 28.948 24.974 -3.639 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.128 26.074 -3.010 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.319 25.384 -5.055 1.00 25.00 C ATOM 0 H LEU A 61 31.718 24.525 -0.861 1.00 25.00 H new ATOM 0 HA LEU A 61 29.125 23.563 -1.307 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.394 25.635 -2.210 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.035 24.557 -3.433 1.00 25.00 H new ATOM 0 HG LEU A 61 28.382 24.044 -3.696 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.243 26.261 -3.618 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.823 25.773 -2.008 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.725 26.984 -2.949 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.411 25.550 -5.635 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.904 26.303 -5.026 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.908 24.593 -5.520 1.00 25.00 H new ATOM 934 N VAL A 62 31.526 21.854 -2.838 1.00 25.00 N ATOM 935 CA VAL A 62 31.798 20.565 -3.507 1.00 25.00 C ATOM 936 C VAL A 62 31.394 19.406 -2.608 1.00 25.00 C ATOM 937 O VAL A 62 30.759 18.451 -3.055 1.00 25.00 O ATOM 938 CB VAL A 62 33.313 20.383 -3.854 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.578 18.990 -4.469 1.00 25.00 C ATOM 940 CG2 VAL A 62 33.768 21.451 -4.824 1.00 25.00 C ATOM 0 H VAL A 62 32.358 22.410 -2.641 1.00 25.00 H new ATOM 0 HA VAL A 62 31.216 20.571 -4.429 1.00 25.00 H new ATOM 0 HB VAL A 62 33.876 20.473 -2.925 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.638 18.890 -4.701 1.00 25.00 H new ATOM 0 HG12 VAL A 62 33.288 18.217 -3.757 1.00 25.00 H new ATOM 0 HG13 VAL A 62 32.995 18.879 -5.383 1.00 25.00 H new ATOM 0 HG21 VAL A 62 34.824 21.308 -5.053 1.00 25.00 H new ATOM 0 HG22 VAL A 62 33.184 21.381 -5.742 1.00 25.00 H new ATOM 0 HG23 VAL A 62 33.624 22.434 -4.376 1.00 25.00 H new ATOM 950 N GLU A 63 31.747 19.494 -1.338 1.00 25.00 N ATOM 951 CA GLU A 63 31.408 18.441 -0.374 1.00 25.00 C ATOM 952 C GLU A 63 29.890 18.229 -0.345 1.00 25.00 C ATOM 953 O GLU A 63 29.395 17.101 -0.421 1.00 25.00 O ATOM 954 CB GLU A 63 31.928 18.814 1.023 1.00 25.00 C ATOM 955 CG GLU A 63 33.448 18.769 1.154 1.00 25.00 C ATOM 956 CD GLU A 63 33.998 17.357 1.050 1.00 25.00 C ATOM 957 OE1 GLU A 63 34.319 16.919 -0.077 1.00 25.00 O ATOM 958 OE2 GLU A 63 34.099 16.681 2.092 1.00 25.00 O ATOM 0 H GLU A 63 32.267 20.278 -0.943 1.00 25.00 H new ATOM 0 HA GLU A 63 31.885 17.510 -0.681 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.582 19.817 1.272 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.491 18.135 1.755 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.895 19.388 0.376 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.740 19.200 2.112 1.00 25.00 H new ATOM 965 N GLN A 64 29.142 19.320 -0.312 1.00 25.00 N ATOM 966 CA GLN A 64 27.690 19.247 -0.357 1.00 25.00 C ATOM 967 C GLN A 64 27.162 18.824 -1.712 1.00 25.00 C ATOM 968 O GLN A 64 26.157 18.141 -1.781 1.00 25.00 O ATOM 969 CB GLN A 64 27.118 20.596 0.005 1.00 25.00 C ATOM 970 CG GLN A 64 27.258 20.853 1.477 1.00 25.00 C ATOM 971 CD GLN A 64 27.588 22.258 1.809 1.00 25.00 C ATOM 972 OE1 GLN A 64 27.575 23.137 0.972 1.00 25.00 O ATOM 973 NE2 GLN A 64 27.825 22.493 3.059 1.00 25.00 N ATOM 0 H GLN A 64 29.516 20.267 -0.254 1.00 25.00 H new ATOM 0 HA GLN A 64 27.380 18.485 0.358 1.00 25.00 H new ATOM 0 HB2 GLN A 64 27.631 21.377 -0.556 1.00 25.00 H new ATOM 0 HB3 GLN A 64 26.066 20.639 -0.278 1.00 25.00 H new ATOM 0 HG2 GLN A 64 26.327 20.581 1.974 1.00 25.00 H new ATOM 0 HG3 GLN A 64 28.035 20.202 1.878 1.00 25.00 H new ATOM 0 HE21 GLN A 64 27.827 21.726 3.731 1.00 25.00 H new ATOM 0 HE22 GLN A 64 28.010 23.446 3.373 1.00 25.00 H new ATOM 982 N GLN A 65 27.835 19.202 -2.787 1.00 25.00 N ATOM 983 CA GLN A 65 27.412 18.783 -4.130 1.00 25.00 C ATOM 984 C GLN A 65 27.486 17.269 -4.266 1.00 25.00 C ATOM 985 O GLN A 65 26.606 16.656 -4.868 1.00 25.00 O ATOM 986 CB GLN A 65 28.277 19.409 -5.220 1.00 25.00 C ATOM 987 CG GLN A 65 27.864 20.808 -5.607 1.00 25.00 C ATOM 988 CD GLN A 65 28.726 21.352 -6.713 1.00 25.00 C ATOM 989 OE1 GLN A 65 28.674 20.878 -7.832 1.00 25.00 O ATOM 990 NE2 GLN A 65 29.509 22.347 -6.412 1.00 25.00 N ATOM 0 H GLN A 65 28.668 19.791 -2.766 1.00 25.00 H new ATOM 0 HA GLN A 65 26.384 19.124 -4.256 1.00 25.00 H new ATOM 0 HB2 GLN A 65 29.313 19.428 -4.881 1.00 25.00 H new ATOM 0 HB3 GLN A 65 28.243 18.774 -6.105 1.00 25.00 H new ATOM 0 HG2 GLN A 65 26.821 20.806 -5.925 1.00 25.00 H new ATOM 0 HG3 GLN A 65 27.931 21.462 -4.737 1.00 25.00 H new ATOM 0 HE21 GLN A 65 29.523 22.716 -5.461 1.00 25.00 H new ATOM 0 HE22 GLN A 65 30.109 22.758 -7.127 1.00 25.00 H new ATOM 999 N GLN A 66 28.504 16.657 -3.677 1.00 25.00 N ATOM 1000 CA GLN A 66 28.635 15.203 -3.730 1.00 25.00 C ATOM 1001 C GLN A 66 27.435 14.552 -3.050 1.00 25.00 C ATOM 1002 O GLN A 66 26.926 13.529 -3.504 1.00 25.00 O ATOM 1003 CB GLN A 66 29.905 14.739 -3.022 1.00 25.00 C ATOM 1004 CG GLN A 66 31.193 15.093 -3.735 1.00 25.00 C ATOM 1005 CD GLN A 66 32.391 14.591 -2.971 1.00 25.00 C ATOM 1006 OE1 GLN A 66 32.592 13.391 -2.841 1.00 25.00 O ATOM 1007 NE2 GLN A 66 33.160 15.492 -2.433 1.00 25.00 N ATOM 0 H GLN A 66 29.244 17.135 -3.163 1.00 25.00 H new ATOM 0 HA GLN A 66 28.684 14.910 -4.779 1.00 25.00 H new ATOM 0 HB2 GLN A 66 29.927 15.174 -2.023 1.00 25.00 H new ATOM 0 HB3 GLN A 66 29.860 13.657 -2.897 1.00 25.00 H new ATOM 0 HG2 GLN A 66 31.189 14.661 -4.736 1.00 25.00 H new ATOM 0 HG3 GLN A 66 31.261 16.174 -3.855 1.00 25.00 H new ATOM 0 HE21 GLN A 66 32.956 16.482 -2.567 1.00 25.00 H new ATOM 0 HE22 GLN A 66 33.967 15.208 -1.878 1.00 25.00 H new ATOM 1016 N ASP A 67 26.985 15.147 -1.955 1.00 25.00 N ATOM 1017 CA ASP A 67 25.852 14.604 -1.211 1.00 25.00 C ATOM 1018 C ASP A 67 24.517 14.940 -1.893 1.00 25.00 C ATOM 1019 O ASP A 67 23.585 14.135 -1.909 1.00 25.00 O ATOM 1020 CB ASP A 67 25.872 15.135 0.226 1.00 25.00 C ATOM 1021 CG ASP A 67 25.098 14.245 1.182 1.00 25.00 C ATOM 1022 OD1 ASP A 67 24.464 14.770 2.115 1.00 25.00 O ATOM 1023 OD2 ASP A 67 25.090 13.006 0.983 1.00 25.00 O ATOM 0 H ASP A 67 27.382 16.000 -1.562 1.00 25.00 H new ATOM 0 HA ASP A 67 25.945 13.518 -1.193 1.00 25.00 H new ATOM 0 HB2 ASP A 67 26.904 15.217 0.566 1.00 25.00 H new ATOM 0 HB3 ASP A 67 25.449 16.139 0.245 1.00 25.00 H new ATOM 1028 N ARG A 68 24.452 16.107 -2.516 1.00 25.00 N ATOM 1029 CA ARG A 68 23.268 16.544 -3.264 1.00 25.00 C ATOM 1030 C ARG A 68 23.024 15.635 -4.446 1.00 25.00 C ATOM 1031 O ARG A 68 21.892 15.270 -4.711 1.00 25.00 O ATOM 1032 CB ARG A 68 23.474 17.971 -3.789 1.00 25.00 C ATOM 1033 CG ARG A 68 22.967 19.069 -2.872 1.00 25.00 C ATOM 1034 CD ARG A 68 21.540 19.493 -3.241 1.00 25.00 C ATOM 1035 NE ARG A 68 21.484 20.906 -3.665 1.00 25.00 N ATOM 1036 CZ ARG A 68 21.332 21.340 -4.916 1.00 25.00 C ATOM 1037 NH1 ARG A 68 21.209 20.547 -5.945 1.00 25.00 N ATOM 1038 NH2 ARG A 68 21.290 22.623 -5.138 1.00 25.00 N ATOM 0 H ARG A 68 25.216 16.783 -2.521 1.00 25.00 H new ATOM 0 HA ARG A 68 22.412 16.511 -2.590 1.00 25.00 H new ATOM 0 HB2 ARG A 68 24.538 18.128 -3.965 1.00 25.00 H new ATOM 0 HB3 ARG A 68 22.974 18.063 -4.753 1.00 25.00 H new ATOM 0 HG2 ARG A 68 22.989 18.721 -1.839 1.00 25.00 H new ATOM 0 HG3 ARG A 68 23.631 19.931 -2.932 1.00 25.00 H new ATOM 0 HD2 ARG A 68 21.167 18.857 -4.044 1.00 25.00 H new ATOM 0 HD3 ARG A 68 20.883 19.343 -2.384 1.00 25.00 H new ATOM 0 HE ARG A 68 21.569 21.613 -2.935 1.00 25.00 H new ATOM 0 HH11 ARG A 68 21.227 19.536 -5.814 1.00 25.00 H new ATOM 0 HH12 ARG A 68 21.095 20.939 -6.880 1.00 25.00 H new ATOM 0 HH21 ARG A 68 21.373 23.278 -4.361 1.00 25.00 H new ATOM 0 HH22 ARG A 68 21.174 22.972 -6.089 1.00 25.00 H new ATOM 1052 N ALA A 69 24.088 15.210 -5.108 1.00 25.00 N ATOM 1053 CA ALA A 69 23.973 14.304 -6.250 1.00 25.00 C ATOM 1054 C ALA A 69 23.229 13.019 -5.860 1.00 25.00 C ATOM 1055 O ALA A 69 22.524 12.425 -6.675 1.00 25.00 O ATOM 1056 CB ALA A 69 25.369 13.973 -6.792 1.00 25.00 C ATOM 0 H ALA A 69 25.045 15.476 -4.877 1.00 25.00 H new ATOM 0 HA ALA A 69 23.396 14.800 -7.030 1.00 25.00 H new ATOM 0 HB1 ALA A 69 25.278 13.298 -7.643 1.00 25.00 H new ATOM 0 HB2 ALA A 69 25.863 14.891 -7.109 1.00 25.00 H new ATOM 0 HB3 ALA A 69 25.959 13.494 -6.010 1.00 25.00 H new ATOM 1062 N ARG A 70 23.366 12.613 -4.606 1.00 25.00 N ATOM 1063 CA ARG A 70 22.700 11.409 -4.096 1.00 25.00 C ATOM 1064 C ARG A 70 21.206 11.660 -3.879 1.00 25.00 C ATOM 1065 O ARG A 70 20.399 10.765 -4.055 1.00 25.00 O ATOM 1066 CB ARG A 70 23.370 10.961 -2.787 1.00 25.00 C ATOM 1067 CG ARG A 70 24.881 10.745 -2.937 1.00 25.00 C ATOM 1068 CD ARG A 70 25.612 10.757 -1.597 1.00 25.00 C ATOM 1069 NE ARG A 70 27.071 10.880 -1.801 1.00 25.00 N ATOM 1070 CZ ARG A 70 27.944 11.347 -0.911 1.00 25.00 C ATOM 1071 NH1 ARG A 70 27.592 11.765 0.277 1.00 25.00 N ATOM 1072 NH2 ARG A 70 29.206 11.404 -1.235 1.00 25.00 N ATOM 0 H ARG A 70 23.935 13.100 -3.914 1.00 25.00 H new ATOM 0 HA ARG A 70 22.799 10.615 -4.836 1.00 25.00 H new ATOM 0 HB2 ARG A 70 23.189 11.711 -2.017 1.00 25.00 H new ATOM 0 HB3 ARG A 70 22.907 10.035 -2.446 1.00 25.00 H new ATOM 0 HG2 ARG A 70 25.060 9.793 -3.436 1.00 25.00 H new ATOM 0 HG3 ARG A 70 25.294 11.524 -3.579 1.00 25.00 H new ATOM 0 HD2 ARG A 70 25.253 11.587 -0.988 1.00 25.00 H new ATOM 0 HD3 ARG A 70 25.392 9.841 -1.048 1.00 25.00 H new ATOM 0 HE ARG A 70 27.441 10.581 -2.703 1.00 25.00 H new ATOM 0 HH11 ARG A 70 26.611 11.742 0.556 1.00 25.00 H new ATOM 0 HH12 ARG A 70 28.298 12.114 0.925 1.00 25.00 H new ATOM 0 HH21 ARG A 70 29.510 11.094 -2.158 1.00 25.00 H new ATOM 0 HH22 ARG A 70 29.889 11.759 -0.566 1.00 25.00 H new ATOM 1086 N ARG A 71 20.840 12.891 -3.540 1.00 25.00 N ATOM 1087 CA ARG A 71 19.419 13.264 -3.377 1.00 25.00 C ATOM 1088 C ARG A 71 18.781 13.403 -4.740 1.00 25.00 C ATOM 1089 O ARG A 71 17.604 13.132 -4.938 1.00 25.00 O ATOM 1090 CB ARG A 71 19.271 14.623 -2.670 1.00 25.00 C ATOM 1091 CG ARG A 71 20.015 14.768 -1.354 1.00 25.00 C ATOM 1092 CD ARG A 71 19.650 13.668 -0.384 1.00 25.00 C ATOM 1093 NE ARG A 71 20.154 13.959 0.967 1.00 25.00 N ATOM 1094 CZ ARG A 71 21.387 13.707 1.395 1.00 25.00 C ATOM 1095 NH1 ARG A 71 22.280 13.132 0.639 1.00 25.00 N ATOM 1096 NH2 ARG A 71 21.729 14.054 2.600 1.00 25.00 N ATOM 0 H ARG A 71 21.497 13.653 -3.371 1.00 25.00 H new ATOM 0 HA ARG A 71 18.942 12.486 -2.782 1.00 25.00 H new ATOM 0 HB2 ARG A 71 19.616 15.404 -3.348 1.00 25.00 H new ATOM 0 HB3 ARG A 71 18.211 14.803 -2.488 1.00 25.00 H new ATOM 0 HG2 ARG A 71 21.089 14.749 -1.539 1.00 25.00 H new ATOM 0 HG3 ARG A 71 19.785 15.736 -0.910 1.00 25.00 H new ATOM 0 HD2 ARG A 71 18.567 13.552 -0.353 1.00 25.00 H new ATOM 0 HD3 ARG A 71 20.062 12.721 -0.732 1.00 25.00 H new ATOM 0 HE ARG A 71 19.506 14.388 1.628 1.00 25.00 H new ATOM 0 HH11 ARG A 71 22.042 12.860 -0.315 1.00 25.00 H new ATOM 0 HH12 ARG A 71 23.217 12.954 1.001 1.00 25.00 H new ATOM 0 HH21 ARG A 71 21.053 14.516 3.209 1.00 25.00 H new ATOM 0 HH22 ARG A 71 22.673 13.865 2.937 1.00 25.00 H new ATOM 1110 N GLU A 72 19.585 13.870 -5.672 1.00 25.00 N ATOM 1111 CA GLU A 72 19.141 14.163 -7.028 1.00 25.00 C ATOM 1112 C GLU A 72 18.698 12.915 -7.764 1.00 25.00 C ATOM 1113 O GLU A 72 17.818 12.967 -8.620 1.00 25.00 O ATOM 1114 CB GLU A 72 20.242 14.877 -7.786 1.00 25.00 C ATOM 1115 CG GLU A 72 20.012 16.370 -7.887 1.00 25.00 C ATOM 1116 CD GLU A 72 20.068 17.102 -6.535 1.00 25.00 C ATOM 1117 OE1 GLU A 72 21.095 17.750 -6.264 1.00 25.00 O ATOM 1118 OE2 GLU A 72 19.055 17.113 -5.789 1.00 25.00 O ATOM 0 H GLU A 72 20.574 14.060 -5.513 1.00 25.00 H new ATOM 0 HA GLU A 72 18.270 14.815 -6.963 1.00 25.00 H new ATOM 0 HB2 GLU A 72 21.196 14.694 -7.291 1.00 25.00 H new ATOM 0 HB3 GLU A 72 20.318 14.457 -8.789 1.00 25.00 H new ATOM 0 HG2 GLU A 72 20.761 16.799 -8.553 1.00 25.00 H new ATOM 0 HG3 GLU A 72 19.039 16.548 -8.345 1.00 25.00 H new ATOM 1125 N GLN A 73 19.281 11.786 -7.396 1.00 25.00 N ATOM 1126 CA GLN A 73 18.850 10.493 -7.937 1.00 25.00 C ATOM 1127 C GLN A 73 17.347 10.308 -7.725 1.00 25.00 C ATOM 1128 O GLN A 73 16.648 9.811 -8.597 1.00 25.00 O ATOM 1129 CB GLN A 73 19.583 9.332 -7.253 1.00 25.00 C ATOM 1130 CG GLN A 73 21.096 9.386 -7.367 1.00 25.00 C ATOM 1131 CD GLN A 73 21.567 9.480 -8.798 1.00 25.00 C ATOM 1132 OE1 GLN A 73 21.256 8.635 -9.623 1.00 25.00 O ATOM 1133 NE2 GLN A 73 22.311 10.513 -9.102 1.00 25.00 N ATOM 0 H GLN A 73 20.051 11.731 -6.729 1.00 25.00 H new ATOM 0 HA GLN A 73 19.086 10.489 -9.001 1.00 25.00 H new ATOM 0 HB2 GLN A 73 19.311 9.319 -6.197 1.00 25.00 H new ATOM 0 HB3 GLN A 73 19.232 8.394 -7.684 1.00 25.00 H new ATOM 0 HG2 GLN A 73 21.468 10.245 -6.809 1.00 25.00 H new ATOM 0 HG3 GLN A 73 21.524 8.496 -6.905 1.00 25.00 H new ATOM 0 HE21 GLN A 73 22.550 11.198 -8.385 1.00 25.00 H new ATOM 0 HE22 GLN A 73 22.652 10.633 -10.056 1.00 25.00 H new ATOM 1142 N GLU A 74 16.848 10.718 -6.570 1.00 25.00 N ATOM 1143 CA GLU A 74 15.420 10.613 -6.285 1.00 25.00 C ATOM 1144 C GLU A 74 14.612 11.677 -7.033 1.00 25.00 C ATOM 1145 O GLU A 74 13.473 11.441 -7.415 1.00 25.00 O ATOM 1146 CB GLU A 74 15.159 10.711 -4.781 1.00 25.00 C ATOM 1147 CG GLU A 74 16.051 9.794 -3.929 1.00 25.00 C ATOM 1148 CD GLU A 74 16.105 8.355 -4.446 1.00 25.00 C ATOM 1149 OE1 GLU A 74 15.050 7.782 -4.811 1.00 25.00 O ATOM 1150 OE2 GLU A 74 17.225 7.801 -4.513 1.00 25.00 O ATOM 0 H GLU A 74 17.403 11.124 -5.817 1.00 25.00 H new ATOM 0 HA GLU A 74 15.091 9.635 -6.637 1.00 25.00 H new ATOM 0 HB2 GLU A 74 15.309 11.743 -4.463 1.00 25.00 H new ATOM 0 HB3 GLU A 74 14.115 10.466 -4.587 1.00 25.00 H new ATOM 0 HG2 GLU A 74 17.061 10.202 -3.904 1.00 25.00 H new ATOM 0 HG3 GLU A 74 15.683 9.791 -2.903 1.00 25.00 H new ATOM 1157 N ARG A 75 15.204 12.843 -7.268 1.00 25.00 N ATOM 1158 CA ARG A 75 14.502 13.916 -7.992 1.00 25.00 C ATOM 1159 C ARG A 75 14.173 13.529 -9.413 1.00 25.00 C ATOM 1160 O ARG A 75 13.093 13.814 -9.887 1.00 25.00 O ATOM 1161 CB ARG A 75 15.328 15.196 -8.076 1.00 25.00 C ATOM 1162 CG ARG A 75 15.472 15.958 -6.796 1.00 25.00 C ATOM 1163 CD ARG A 75 16.059 17.317 -7.130 1.00 25.00 C ATOM 1164 NE ARG A 75 16.386 18.093 -5.931 1.00 25.00 N ATOM 1165 CZ ARG A 75 15.572 18.941 -5.315 1.00 25.00 C ATOM 1166 NH1 ARG A 75 14.343 19.164 -5.724 1.00 25.00 N ATOM 1167 NH2 ARG A 75 16.005 19.580 -4.265 1.00 25.00 N ATOM 0 H ARG A 75 16.153 13.075 -6.976 1.00 25.00 H new ATOM 0 HA ARG A 75 13.591 14.082 -7.417 1.00 25.00 H new ATOM 0 HB2 ARG A 75 16.323 14.942 -8.440 1.00 25.00 H new ATOM 0 HB3 ARG A 75 14.874 15.852 -8.819 1.00 25.00 H new ATOM 0 HG2 ARG A 75 14.504 16.069 -6.307 1.00 25.00 H new ATOM 0 HG3 ARG A 75 16.120 15.422 -6.103 1.00 25.00 H new ATOM 0 HD2 ARG A 75 16.959 17.184 -7.730 1.00 25.00 H new ATOM 0 HD3 ARG A 75 15.350 17.877 -7.740 1.00 25.00 H new ATOM 0 HE ARG A 75 17.319 17.971 -5.536 1.00 25.00 H new ATOM 0 HH11 ARG A 75 13.982 18.677 -6.544 1.00 25.00 H new ATOM 0 HH12 ARG A 75 13.750 19.824 -5.221 1.00 25.00 H new ATOM 0 HH21 ARG A 75 16.956 19.424 -3.929 1.00 25.00 H new ATOM 0 HH22 ARG A 75 15.393 20.236 -3.779 1.00 25.00 H new ATOM 1181 N ILE A 76 15.100 12.899 -10.116 1.00 25.00 N ATOM 1182 CA ILE A 76 14.847 12.548 -11.515 1.00 25.00 C ATOM 1183 C ILE A 76 13.800 11.432 -11.615 1.00 25.00 C ATOM 1184 O ILE A 76 13.178 11.255 -12.653 1.00 25.00 O ATOM 1185 CB ILE A 76 16.158 12.169 -12.267 1.00 25.00 C ATOM 1186 CG1 ILE A 76 16.817 10.922 -11.645 1.00 25.00 C ATOM 1187 CG2 ILE A 76 17.138 13.375 -12.235 1.00 25.00 C ATOM 1188 CD1 ILE A 76 17.999 10.362 -12.441 1.00 25.00 C ATOM 0 H ILE A 76 16.014 12.623 -9.758 1.00 25.00 H new ATOM 0 HA ILE A 76 14.446 13.433 -12.008 1.00 25.00 H new ATOM 0 HB ILE A 76 15.911 11.929 -13.301 1.00 25.00 H new ATOM 0 HG12 ILE A 76 17.158 11.170 -10.640 1.00 25.00 H new ATOM 0 HG13 ILE A 76 16.063 10.142 -11.542 1.00 25.00 H new ATOM 0 HG21 ILE A 76 18.056 13.112 -12.761 1.00 25.00 H new ATOM 0 HG22 ILE A 76 16.675 14.233 -12.721 1.00 25.00 H new ATOM 0 HG23 ILE A 76 17.372 13.627 -11.200 1.00 25.00 H new ATOM 0 HD11 ILE A 76 18.400 9.487 -11.930 1.00 25.00 H new ATOM 0 HD12 ILE A 76 17.664 10.078 -13.438 1.00 25.00 H new ATOM 0 HD13 ILE A 76 18.776 11.122 -12.522 1.00 25.00 H new ATOM 1200 N ARG A 77 13.587 10.714 -10.518 1.00 25.00 N ATOM 1201 CA ARG A 77 12.534 9.691 -10.441 1.00 25.00 C ATOM 1202 C ARG A 77 11.176 10.311 -10.111 1.00 25.00 C ATOM 1203 O ARG A 77 10.144 9.680 -10.306 1.00 25.00 O ATOM 1204 CB ARG A 77 12.893 8.653 -9.373 1.00 25.00 C ATOM 1205 CG ARG A 77 14.162 7.879 -9.695 1.00 25.00 C ATOM 1206 CD ARG A 77 14.677 7.126 -8.484 1.00 25.00 C ATOM 1207 NE ARG A 77 16.024 6.596 -8.743 1.00 25.00 N ATOM 1208 CZ ARG A 77 16.822 6.056 -7.831 1.00 25.00 C ATOM 1209 NH1 ARG A 77 16.473 5.929 -6.582 1.00 25.00 N ATOM 1210 NH2 ARG A 77 18.006 5.643 -8.188 1.00 25.00 N ATOM 0 H ARG A 77 14.130 10.818 -9.661 1.00 25.00 H new ATOM 0 HA ARG A 77 12.463 9.210 -11.417 1.00 25.00 H new ATOM 0 HB2 ARG A 77 13.015 9.155 -8.413 1.00 25.00 H new ATOM 0 HB3 ARG A 77 12.065 7.952 -9.263 1.00 25.00 H new ATOM 0 HG2 ARG A 77 13.965 7.176 -10.505 1.00 25.00 H new ATOM 0 HG3 ARG A 77 14.929 8.567 -10.050 1.00 25.00 H new ATOM 0 HD2 ARG A 77 14.700 7.789 -7.619 1.00 25.00 H new ATOM 0 HD3 ARG A 77 13.998 6.308 -8.241 1.00 25.00 H new ATOM 0 HE ARG A 77 16.373 6.648 -9.700 1.00 25.00 H new ATOM 0 HH11 ARG A 77 15.556 6.251 -6.274 1.00 25.00 H new ATOM 0 HH12 ARG A 77 17.117 5.508 -5.913 1.00 25.00 H new ATOM 0 HH21 ARG A 77 18.308 5.737 -9.158 1.00 25.00 H new ATOM 0 HH22 ARG A 77 18.630 5.226 -7.498 1.00 25.00 H new ATOM 1224 N LEU A 78 11.193 11.524 -9.576 1.00 25.00 N ATOM 1225 CA LEU A 78 9.988 12.219 -9.143 1.00 25.00 C ATOM 1226 C LEU A 78 9.775 13.500 -9.945 1.00 25.00 C ATOM 1227 O LEU A 78 9.104 13.488 -10.974 1.00 25.00 O ATOM 1228 CB LEU A 78 10.124 12.550 -7.656 1.00 25.00 C ATOM 1229 CG LEU A 78 9.670 11.458 -6.684 1.00 25.00 C ATOM 1230 CD1 LEU A 78 10.108 11.843 -5.274 1.00 25.00 C ATOM 1231 CD2 LEU A 78 8.147 11.297 -6.736 1.00 25.00 C ATOM 0 H LEU A 78 12.050 12.058 -9.429 1.00 25.00 H new ATOM 0 HA LEU A 78 9.124 11.575 -9.309 1.00 25.00 H new ATOM 0 HB2 LEU A 78 11.169 12.782 -7.449 1.00 25.00 H new ATOM 0 HB3 LEU A 78 9.550 13.454 -7.451 1.00 25.00 H new ATOM 0 HG LEU A 78 10.123 10.508 -6.966 1.00 25.00 H new ATOM 0 HD11 LEU A 78 9.790 11.073 -4.571 1.00 25.00 H new ATOM 0 HD12 LEU A 78 11.193 11.937 -5.243 1.00 25.00 H new ATOM 0 HD13 LEU A 78 9.653 12.795 -4.999 1.00 25.00 H new ATOM 0 HD21 LEU A 78 7.840 10.517 -6.039 1.00 25.00 H new ATOM 0 HD22 LEU A 78 7.672 12.238 -6.459 1.00 25.00 H new ATOM 0 HD23 LEU A 78 7.845 11.021 -7.746 1.00 25.00 H new ATOM 1243 N PHE A 79 10.345 14.603 -9.479 1.00 25.00 N ATOM 1244 CA PHE A 79 10.249 15.868 -10.165 1.00 25.00 C ATOM 1245 C PHE A 79 11.456 16.758 -9.914 1.00 25.00 C ATOM 1246 O PHE A 79 12.138 16.666 -8.887 1.00 25.00 O ATOM 1247 CB PHE A 79 8.996 16.621 -9.721 1.00 25.00 C ATOM 1248 CG PHE A 79 8.940 16.905 -8.242 1.00 25.00 C ATOM 1249 CD1 PHE A 79 8.314 16.000 -7.365 1.00 25.00 C ATOM 1250 CD2 PHE A 79 9.495 18.091 -7.718 1.00 25.00 C ATOM 1251 CE1 PHE A 79 8.247 16.264 -5.975 1.00 25.00 C ATOM 1252 CE2 PHE A 79 9.435 18.367 -6.329 1.00 25.00 C ATOM 1253 CZ PHE A 79 8.810 17.451 -5.458 1.00 25.00 C ATOM 0 H PHE A 79 10.885 14.638 -8.614 1.00 25.00 H new ATOM 0 HA PHE A 79 10.203 15.638 -11.230 1.00 25.00 H new ATOM 0 HB2 PHE A 79 8.941 17.565 -10.264 1.00 25.00 H new ATOM 0 HB3 PHE A 79 8.117 16.040 -10.002 1.00 25.00 H new ATOM 0 HD1 PHE A 79 7.879 15.092 -7.757 1.00 25.00 H new ATOM 0 HD2 PHE A 79 9.971 18.797 -8.383 1.00 25.00 H new ATOM 0 HE1 PHE A 79 7.767 15.559 -5.312 1.00 25.00 H new ATOM 0 HE2 PHE A 79 9.867 19.277 -5.939 1.00 25.00 H new ATOM 0 HZ PHE A 79 8.762 17.657 -4.399 1.00 25.00 H new ATOM 1263 N SER A 80 11.647 17.676 -10.842 1.00 25.00 N ATOM 1264 CA SER A 80 12.618 18.750 -10.749 1.00 25.00 C ATOM 1265 C SER A 80 12.033 19.740 -11.737 1.00 25.00 C ATOM 1266 O SER A 80 11.238 19.337 -12.589 1.00 25.00 O ATOM 1267 CB SER A 80 14.017 18.295 -11.180 1.00 25.00 C ATOM 1268 OG SER A 80 14.916 19.386 -11.191 1.00 25.00 O ATOM 0 H SER A 80 11.113 17.695 -11.711 1.00 25.00 H new ATOM 0 HA SER A 80 12.762 19.138 -9.741 1.00 25.00 H new ATOM 0 HB2 SER A 80 14.380 17.525 -10.499 1.00 25.00 H new ATOM 0 HB3 SER A 80 13.969 17.847 -12.172 1.00 25.00 H new ATOM 0 HG SER A 80 14.633 20.050 -10.528 1.00 25.00 H new ATOM 1274 N ALA A 81 12.379 21.009 -11.620 1.00 25.00 N ATOM 1275 CA ALA A 81 11.887 22.032 -12.547 1.00 25.00 C ATOM 1276 C ALA A 81 12.934 23.131 -12.705 1.00 25.00 C ATOM 1277 O ALA A 81 12.640 24.248 -13.124 1.00 25.00 O ATOM 1278 CB ALA A 81 10.558 22.615 -12.033 1.00 25.00 C ATOM 0 H ALA A 81 13.000 21.364 -10.893 1.00 25.00 H new ATOM 0 HA ALA A 81 11.708 21.579 -13.522 1.00 25.00 H new ATOM 0 HB1 ALA A 81 10.201 23.374 -12.729 1.00 25.00 H new ATOM 0 HB2 ALA A 81 9.818 21.819 -11.953 1.00 25.00 H new ATOM 0 HB3 ALA A 81 10.713 23.065 -11.053 1.00 25.00 H new ATOM 1284 N ASP A 82 14.145 22.792 -12.312 1.00 25.00 N ATOM 1285 CA ASP A 82 15.260 23.734 -12.276 1.00 25.00 C ATOM 1286 C ASP A 82 15.646 24.224 -13.683 1.00 25.00 C ATOM 1287 O ASP A 82 15.454 23.507 -14.676 1.00 25.00 O ATOM 1288 CB ASP A 82 16.458 23.063 -11.597 1.00 25.00 C ATOM 1289 CG ASP A 82 16.218 22.809 -10.112 1.00 25.00 C ATOM 1290 OD1 ASP A 82 16.910 23.440 -9.288 1.00 25.00 O ATOM 1291 OD2 ASP A 82 15.330 21.988 -9.768 1.00 25.00 O ATOM 0 H ASP A 82 14.391 21.851 -12.005 1.00 25.00 H new ATOM 0 HA ASP A 82 14.951 24.611 -11.708 1.00 25.00 H new ATOM 0 HB2 ASP A 82 16.671 22.117 -12.095 1.00 25.00 H new ATOM 0 HB3 ASP A 82 17.340 23.692 -11.717 1.00 25.00 H new ATOM 1296 N PRO A 83 16.169 25.463 -13.791 1.00 25.00 N ATOM 1297 CA PRO A 83 16.518 25.995 -15.113 1.00 25.00 C ATOM 1298 C PRO A 83 17.823 25.437 -15.680 1.00 25.00 C ATOM 1299 O PRO A 83 18.574 24.748 -14.997 1.00 25.00 O ATOM 1300 CB PRO A 83 16.650 27.495 -14.840 1.00 25.00 C ATOM 1301 CG PRO A 83 17.185 27.553 -13.466 1.00 25.00 C ATOM 1302 CD PRO A 83 16.452 26.455 -12.731 1.00 25.00 C ATOM 0 HA PRO A 83 15.774 25.728 -15.863 1.00 25.00 H new ATOM 0 HB2 PRO A 83 17.322 27.974 -15.552 1.00 25.00 H new ATOM 0 HB3 PRO A 83 15.688 28.003 -14.917 1.00 25.00 H new ATOM 0 HG2 PRO A 83 18.263 27.390 -13.452 1.00 25.00 H new ATOM 0 HG3 PRO A 83 17.004 28.526 -13.010 1.00 25.00 H new ATOM 0 HD2 PRO A 83 17.061 26.029 -11.934 1.00 25.00 H new ATOM 0 HD3 PRO A 83 15.535 26.823 -12.270 1.00 25.00 H new ATOM 1310 N PHE A 84 18.091 25.784 -16.932 1.00 25.00 N ATOM 1311 CA PHE A 84 19.298 25.361 -17.647 1.00 25.00 C ATOM 1312 C PHE A 84 20.082 26.598 -18.092 1.00 25.00 C ATOM 1313 O PHE A 84 20.970 26.507 -18.925 1.00 25.00 O ATOM 1314 CB PHE A 84 18.884 24.526 -18.867 1.00 25.00 C ATOM 1315 CG PHE A 84 17.861 25.208 -19.744 1.00 25.00 C ATOM 1316 CD1 PHE A 84 18.264 26.063 -20.785 1.00 25.00 C ATOM 1317 CD2 PHE A 84 16.483 25.007 -19.523 1.00 25.00 C ATOM 1318 CE1 PHE A 84 17.309 26.723 -21.595 1.00 25.00 C ATOM 1319 CE2 PHE A 84 15.515 25.664 -20.328 1.00 25.00 C ATOM 1320 CZ PHE A 84 15.932 26.523 -21.366 1.00 25.00 C ATOM 0 H PHE A 84 17.473 26.373 -17.490 1.00 25.00 H new ATOM 0 HA PHE A 84 19.931 24.758 -16.996 1.00 25.00 H new ATOM 0 HB2 PHE A 84 19.770 24.302 -19.462 1.00 25.00 H new ATOM 0 HB3 PHE A 84 18.480 23.573 -18.525 1.00 25.00 H new ATOM 0 HD1 PHE A 84 19.317 26.218 -20.969 1.00 25.00 H new ATOM 0 HD2 PHE A 84 16.160 24.346 -18.732 1.00 25.00 H new ATOM 0 HE1 PHE A 84 17.635 27.380 -22.388 1.00 25.00 H new ATOM 0 HE2 PHE A 84 14.462 25.506 -20.146 1.00 25.00 H new ATOM 0 HZ PHE A 84 15.201 27.025 -21.982 1.00 25.00 H new ATOM 1330 N ASP A 85 19.686 27.732 -17.512 1.00 25.00 N ATOM 1331 CA ASP A 85 20.126 29.090 -17.860 1.00 25.00 C ATOM 1332 C ASP A 85 19.503 29.505 -19.193 1.00 25.00 C ATOM 1333 O ASP A 85 19.607 28.821 -20.199 1.00 25.00 O ATOM 1334 CB ASP A 85 21.645 29.266 -17.835 1.00 25.00 C ATOM 1335 CG ASP A 85 22.059 30.731 -17.790 1.00 25.00 C ATOM 1336 OD1 ASP A 85 21.252 31.608 -18.187 1.00 25.00 O ATOM 1337 OD2 ASP A 85 23.178 31.009 -17.336 1.00 25.00 O ATOM 0 H ASP A 85 19.013 27.731 -16.745 1.00 25.00 H new ATOM 0 HA ASP A 85 19.767 29.765 -17.083 1.00 25.00 H new ATOM 0 HB2 ASP A 85 22.054 28.749 -16.967 1.00 25.00 H new ATOM 0 HB3 ASP A 85 22.077 28.796 -18.719 1.00 25.00 H new ATOM 1342 N LEU A 86 18.738 30.582 -19.135 1.00 25.00 N ATOM 1343 CA LEU A 86 17.975 31.052 -20.279 1.00 25.00 C ATOM 1344 C LEU A 86 18.890 31.644 -21.346 1.00 25.00 C ATOM 1345 O LEU A 86 18.745 31.333 -22.523 1.00 25.00 O ATOM 1346 CB LEU A 86 16.921 32.082 -19.832 1.00 25.00 C ATOM 1347 CG LEU A 86 17.351 33.156 -18.807 1.00 25.00 C ATOM 1348 CD1 LEU A 86 17.413 34.542 -19.451 1.00 25.00 C ATOM 1349 CD2 LEU A 86 16.373 33.183 -17.633 1.00 25.00 C ATOM 0 H LEU A 86 18.628 31.153 -18.297 1.00 25.00 H new ATOM 0 HA LEU A 86 17.462 30.197 -20.719 1.00 25.00 H new ATOM 0 HB2 LEU A 86 16.556 32.595 -20.722 1.00 25.00 H new ATOM 0 HB3 LEU A 86 16.077 31.536 -19.411 1.00 25.00 H new ATOM 0 HG LEU A 86 18.347 32.896 -18.448 1.00 25.00 H new ATOM 0 HD11 LEU A 86 17.718 35.276 -18.705 1.00 25.00 H new ATOM 0 HD12 LEU A 86 18.135 34.532 -20.267 1.00 25.00 H new ATOM 0 HD13 LEU A 86 16.430 34.807 -19.840 1.00 25.00 H new ATOM 0 HD21 LEU A 86 16.685 33.943 -16.917 1.00 25.00 H new ATOM 0 HD22 LEU A 86 15.373 33.417 -17.998 1.00 25.00 H new ATOM 0 HD23 LEU A 86 16.362 32.208 -17.146 1.00 25.00 H new ATOM 1361 N GLU A 87 19.796 32.526 -20.947 1.00 25.00 N ATOM 1362 CA GLU A 87 20.762 33.087 -21.884 1.00 25.00 C ATOM 1363 C GLU A 87 21.982 32.179 -22.024 1.00 25.00 C ATOM 1364 O GLU A 87 22.427 31.905 -23.140 1.00 25.00 O ATOM 1365 CB GLU A 87 21.139 34.529 -21.504 1.00 25.00 C ATOM 1366 CG GLU A 87 21.780 34.737 -20.137 1.00 25.00 C ATOM 1367 CD GLU A 87 21.960 36.214 -19.834 1.00 25.00 C ATOM 1368 OE1 GLU A 87 23.027 36.768 -20.178 1.00 25.00 O ATOM 1369 OE2 GLU A 87 21.011 36.836 -19.304 1.00 25.00 O ATOM 0 H GLU A 87 19.883 32.867 -19.990 1.00 25.00 H new ATOM 0 HA GLU A 87 20.293 33.138 -22.866 1.00 25.00 H new ATOM 0 HB2 GLU A 87 21.823 34.911 -22.261 1.00 25.00 H new ATOM 0 HB3 GLU A 87 20.237 35.139 -21.552 1.00 25.00 H new ATOM 0 HG2 GLU A 87 21.159 34.278 -19.368 1.00 25.00 H new ATOM 0 HG3 GLU A 87 22.748 34.236 -20.106 1.00 25.00 H new ATOM 1376 N ALA A 88 22.507 31.729 -20.886 1.00 25.00 N ATOM 1377 CA ALA A 88 23.718 30.902 -20.817 1.00 25.00 C ATOM 1378 C ALA A 88 24.882 31.543 -21.609 1.00 25.00 C ATOM 1379 O ALA A 88 25.501 30.915 -22.470 1.00 25.00 O ATOM 1380 CB ALA A 88 23.404 29.478 -21.297 1.00 25.00 C ATOM 0 H ALA A 88 22.101 31.929 -19.972 1.00 25.00 H new ATOM 0 HA ALA A 88 24.048 30.842 -19.780 1.00 25.00 H new ATOM 0 HB1 ALA A 88 24.306 28.869 -21.244 1.00 25.00 H new ATOM 0 HB2 ALA A 88 22.633 29.042 -20.662 1.00 25.00 H new ATOM 0 HB3 ALA A 88 23.049 29.511 -22.327 1.00 25.00 H new ATOM 1386 N GLN A 89 25.135 32.813 -21.315 1.00 25.00 N ATOM 1387 CA GLN A 89 26.147 33.618 -22.012 1.00 25.00 C ATOM 1388 C GLN A 89 27.228 34.172 -21.079 1.00 25.00 C ATOM 1389 O GLN A 89 27.126 34.075 -19.858 1.00 25.00 O ATOM 1390 CB GLN A 89 25.464 34.820 -22.692 1.00 25.00 C ATOM 1391 CG GLN A 89 24.478 34.463 -23.784 1.00 25.00 C ATOM 1392 CD GLN A 89 25.104 33.631 -24.883 1.00 25.00 C ATOM 1393 OE1 GLN A 89 26.069 34.044 -25.518 1.00 25.00 O ATOM 1394 NE2 GLN A 89 24.563 32.469 -25.117 1.00 25.00 N ATOM 0 H GLN A 89 24.643 33.323 -20.581 1.00 25.00 H new ATOM 0 HA GLN A 89 26.625 32.953 -22.731 1.00 25.00 H new ATOM 0 HB2 GLN A 89 24.945 35.402 -21.931 1.00 25.00 H new ATOM 0 HB3 GLN A 89 26.234 35.464 -23.115 1.00 25.00 H new ATOM 0 HG2 GLN A 89 23.642 33.915 -23.349 1.00 25.00 H new ATOM 0 HG3 GLN A 89 24.070 35.378 -24.213 1.00 25.00 H new ATOM 0 HE21 GLN A 89 23.761 32.160 -24.568 1.00 25.00 H new ATOM 0 HE22 GLN A 89 24.941 31.868 -25.849 1.00 25.00 H new ATOM 1403 N ALA A 90 28.207 34.832 -21.698 1.00 25.00 N ATOM 1404 CA ALA A 90 29.283 35.571 -21.023 1.00 25.00 C ATOM 1405 C ALA A 90 30.230 34.707 -20.171 1.00 25.00 C ATOM 1406 O ALA A 90 30.226 33.482 -20.247 1.00 25.00 O ATOM 1407 CB ALA A 90 28.683 36.733 -20.192 1.00 25.00 C ATOM 0 H ALA A 90 28.279 34.870 -22.715 1.00 25.00 H new ATOM 0 HA ALA A 90 29.917 35.966 -21.816 1.00 25.00 H new ATOM 0 HB1 ALA A 90 29.486 37.277 -19.694 1.00 25.00 H new ATOM 0 HB2 ALA A 90 28.141 37.410 -20.852 1.00 25.00 H new ATOM 0 HB3 ALA A 90 27.999 36.331 -19.444 1.00 25.00 H new ATOM 1413 N LYS A 91 31.102 35.380 -19.428 1.00 25.00 N ATOM 1414 CA LYS A 91 32.125 34.733 -18.609 1.00 25.00 C ATOM 1415 C LYS A 91 32.485 35.734 -17.520 1.00 25.00 C ATOM 1416 O LYS A 91 32.269 36.932 -17.681 1.00 25.00 O ATOM 1417 CB LYS A 91 33.357 34.406 -19.477 1.00 25.00 C ATOM 1418 CG LYS A 91 34.169 33.147 -19.076 1.00 25.00 C ATOM 1419 CD LYS A 91 35.122 33.440 -17.922 1.00 25.00 C ATOM 1420 CE LYS A 91 36.471 32.760 -18.053 1.00 25.00 C ATOM 1421 NZ LYS A 91 37.475 33.530 -17.222 1.00 25.00 N ATOM 0 H LYS A 91 31.120 36.398 -19.376 1.00 25.00 H new ATOM 0 HA LYS A 91 31.771 33.796 -18.179 1.00 25.00 H new ATOM 0 HB2 LYS A 91 33.026 34.285 -20.508 1.00 25.00 H new ATOM 0 HB3 LYS A 91 34.027 35.265 -19.457 1.00 25.00 H new ATOM 0 HG2 LYS A 91 33.485 32.348 -18.790 1.00 25.00 H new ATOM 0 HG3 LYS A 91 34.736 32.790 -19.936 1.00 25.00 H new ATOM 0 HD2 LYS A 91 35.274 34.517 -17.853 1.00 25.00 H new ATOM 0 HD3 LYS A 91 34.656 33.124 -16.989 1.00 25.00 H new ATOM 0 HE2 LYS A 91 36.410 31.726 -17.713 1.00 25.00 H new ATOM 0 HE3 LYS A 91 36.783 32.734 -19.097 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 38.056 34.127 -17.845 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 36.972 34.130 -16.538 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 38.088 32.863 -16.712 1.00 25.00 H new ATOM 1435 N ILE A 92 33.052 35.237 -16.436 1.00 25.00 N ATOM 1436 CA ILE A 92 33.528 36.052 -15.333 1.00 25.00 C ATOM 1437 C ILE A 92 34.997 36.311 -15.616 1.00 25.00 C ATOM 1438 O ILE A 92 35.834 35.413 -15.501 1.00 25.00 O ATOM 1439 CB ILE A 92 33.404 35.319 -13.960 1.00 25.00 C ATOM 1440 CG1 ILE A 92 31.950 34.869 -13.711 1.00 25.00 C ATOM 1441 CG2 ILE A 92 33.893 36.246 -12.808 1.00 25.00 C ATOM 1442 CD1 ILE A 92 31.809 33.846 -12.577 1.00 25.00 C ATOM 0 H ILE A 92 33.197 34.237 -16.295 1.00 25.00 H new ATOM 0 HA ILE A 92 32.934 36.963 -15.262 1.00 25.00 H new ATOM 0 HB ILE A 92 34.035 34.431 -13.985 1.00 25.00 H new ATOM 0 HG12 ILE A 92 31.343 35.744 -13.477 1.00 25.00 H new ATOM 0 HG13 ILE A 92 31.549 34.439 -14.629 1.00 25.00 H new ATOM 0 HG21 ILE A 92 33.801 35.723 -11.856 1.00 25.00 H new ATOM 0 HG22 ILE A 92 34.936 36.515 -12.975 1.00 25.00 H new ATOM 0 HG23 ILE A 92 33.284 37.150 -12.785 1.00 25.00 H new ATOM 0 HD11 ILE A 92 30.760 33.576 -12.459 1.00 25.00 H new ATOM 0 HD12 ILE A 92 32.388 32.955 -12.817 1.00 25.00 H new ATOM 0 HD13 ILE A 92 32.179 34.280 -11.648 1.00 25.00 H new ATOM 1454 N GLU A 93 35.288 37.524 -16.031 1.00 25.00 N ATOM 1455 CA GLU A 93 36.649 37.960 -16.317 1.00 25.00 C ATOM 1456 C GLU A 93 36.968 39.135 -15.403 1.00 25.00 C ATOM 1457 O GLU A 93 36.094 39.962 -15.132 1.00 25.00 O ATOM 1458 CB GLU A 93 36.770 38.428 -17.771 1.00 25.00 C ATOM 1459 CG GLU A 93 36.352 37.411 -18.836 1.00 25.00 C ATOM 1460 CD GLU A 93 37.298 36.220 -18.976 1.00 25.00 C ATOM 1461 OE1 GLU A 93 38.289 36.107 -18.226 1.00 25.00 O ATOM 1462 OE2 GLU A 93 37.003 35.346 -19.816 1.00 25.00 O ATOM 0 H GLU A 93 34.585 38.247 -16.183 1.00 25.00 H new ATOM 0 HA GLU A 93 37.337 37.130 -16.155 1.00 25.00 H new ATOM 0 HB2 GLU A 93 36.164 39.326 -17.895 1.00 25.00 H new ATOM 0 HB3 GLU A 93 37.805 38.714 -17.956 1.00 25.00 H new ATOM 0 HG2 GLU A 93 35.355 37.041 -18.597 1.00 25.00 H new ATOM 0 HG3 GLU A 93 36.281 37.919 -19.798 1.00 25.00 H new ATOM 1469 N GLU A 94 38.208 39.230 -14.950 1.00 25.00 N ATOM 1470 CA GLU A 94 38.624 40.326 -14.084 1.00 25.00 C ATOM 1471 C GLU A 94 40.025 40.835 -14.426 1.00 25.00 C ATOM 1472 O GLU A 94 40.858 40.108 -14.962 1.00 25.00 O ATOM 1473 CB GLU A 94 38.548 39.888 -12.614 1.00 25.00 C ATOM 1474 CG GLU A 94 39.597 38.860 -12.159 1.00 25.00 C ATOM 1475 CD GLU A 94 39.350 37.466 -12.724 1.00 25.00 C ATOM 1476 OE1 GLU A 94 40.230 36.951 -13.445 1.00 25.00 O ATOM 1477 OE2 GLU A 94 38.287 36.879 -12.428 1.00 25.00 O ATOM 0 H GLU A 94 38.947 38.561 -15.167 1.00 25.00 H new ATOM 0 HA GLU A 94 37.938 41.157 -14.248 1.00 25.00 H new ATOM 0 HB2 GLU A 94 38.642 40.774 -11.987 1.00 25.00 H new ATOM 0 HB3 GLU A 94 37.558 39.471 -12.431 1.00 25.00 H new ATOM 0 HG2 GLU A 94 40.587 39.200 -12.465 1.00 25.00 H new ATOM 0 HG3 GLU A 94 39.599 38.809 -11.070 1.00 25.00 H new ATOM 1484 N ASP A 95 40.280 42.097 -14.111 1.00 25.00 N ATOM 1485 CA ASP A 95 41.583 42.713 -14.369 1.00 25.00 C ATOM 1486 C ASP A 95 42.069 43.460 -13.133 1.00 25.00 C ATOM 1487 O ASP A 95 41.933 44.674 -13.022 1.00 25.00 O ATOM 1488 CB ASP A 95 41.513 43.662 -15.569 1.00 25.00 C ATOM 1489 CG ASP A 95 42.885 44.156 -15.987 1.00 25.00 C ATOM 1490 OD1 ASP A 95 43.042 45.343 -16.318 1.00 25.00 O ATOM 1491 OD2 ASP A 95 43.833 43.336 -15.950 1.00 25.00 O ATOM 0 H ASP A 95 39.601 42.721 -13.674 1.00 25.00 H new ATOM 0 HA ASP A 95 42.293 41.920 -14.604 1.00 25.00 H new ATOM 0 HB2 ASP A 95 41.041 43.151 -16.408 1.00 25.00 H new ATOM 0 HB3 ASP A 95 40.882 44.515 -15.320 1.00 25.00 H new ATOM 1496 N ILE A 96 42.618 42.723 -12.178 1.00 25.00 N ATOM 1497 CA ILE A 96 43.081 43.304 -10.909 1.00 25.00 C ATOM 1498 C ILE A 96 44.482 43.938 -11.092 1.00 25.00 C ATOM 1499 O ILE A 96 45.403 43.731 -10.301 1.00 25.00 O ATOM 1500 CB ILE A 96 43.087 42.231 -9.751 1.00 25.00 C ATOM 1501 CG1 ILE A 96 41.843 41.308 -9.829 1.00 25.00 C ATOM 1502 CG2 ILE A 96 43.125 42.920 -8.346 1.00 25.00 C ATOM 1503 CD1 ILE A 96 40.457 42.013 -9.692 1.00 25.00 C ATOM 0 H ILE A 96 42.758 41.715 -12.251 1.00 25.00 H new ATOM 0 HA ILE A 96 42.382 44.088 -10.617 1.00 25.00 H new ATOM 0 HB ILE A 96 43.985 41.628 -9.882 1.00 25.00 H new ATOM 0 HG12 ILE A 96 41.867 40.780 -10.782 1.00 25.00 H new ATOM 0 HG13 ILE A 96 41.924 40.555 -9.045 1.00 25.00 H new ATOM 0 HG21 ILE A 96 43.128 42.158 -7.567 1.00 25.00 H new ATOM 0 HG22 ILE A 96 44.026 43.528 -8.263 1.00 25.00 H new ATOM 0 HG23 ILE A 96 42.247 43.555 -8.228 1.00 25.00 H new ATOM 0 HD11 ILE A 96 39.662 41.270 -9.762 1.00 25.00 H new ATOM 0 HD12 ILE A 96 40.399 42.517 -8.727 1.00 25.00 H new ATOM 0 HD13 ILE A 96 40.340 42.745 -10.491 1.00 25.00 H new ATOM 1515 N ARG A 97 44.642 44.711 -12.157 1.00 25.00 N ATOM 1516 CA ARG A 97 45.913 45.378 -12.467 1.00 25.00 C ATOM 1517 C ARG A 97 45.889 46.795 -11.879 1.00 25.00 C ATOM 1518 O ARG A 97 46.106 47.791 -12.559 1.00 25.00 O ATOM 1519 CB ARG A 97 46.126 45.369 -13.994 1.00 25.00 C ATOM 1520 CG ARG A 97 47.378 44.598 -14.445 1.00 25.00 C ATOM 1521 CD ARG A 97 47.314 43.094 -14.115 1.00 25.00 C ATOM 1522 NE ARG A 97 46.155 42.438 -14.740 1.00 25.00 N ATOM 1523 CZ ARG A 97 45.851 41.149 -14.657 1.00 25.00 C ATOM 1524 NH1 ARG A 97 46.591 40.291 -13.997 1.00 25.00 N ATOM 1525 NH2 ARG A 97 44.775 40.725 -15.250 1.00 25.00 N ATOM 0 H ARG A 97 43.901 44.897 -12.833 1.00 25.00 H new ATOM 0 HA ARG A 97 46.756 44.852 -12.018 1.00 25.00 H new ATOM 0 HB2 ARG A 97 45.250 44.930 -14.470 1.00 25.00 H new ATOM 0 HB3 ARG A 97 46.198 46.398 -14.347 1.00 25.00 H new ATOM 0 HG2 ARG A 97 47.506 44.723 -15.520 1.00 25.00 H new ATOM 0 HG3 ARG A 97 48.256 45.032 -13.967 1.00 25.00 H new ATOM 0 HD2 ARG A 97 48.230 42.610 -14.454 1.00 25.00 H new ATOM 0 HD3 ARG A 97 47.265 42.962 -13.034 1.00 25.00 H new ATOM 0 HE ARG A 97 45.528 43.028 -15.287 1.00 25.00 H new ATOM 0 HH11 ARG A 97 47.437 40.606 -13.522 1.00 25.00 H new ATOM 0 HH12 ARG A 97 46.321 39.308 -13.958 1.00 25.00 H new ATOM 0 HH21 ARG A 97 44.185 41.379 -15.765 1.00 25.00 H new ATOM 0 HH22 ARG A 97 44.520 39.739 -15.200 1.00 25.00 H new ATOM 1539 N GLN A 98 45.604 46.831 -10.566 1.00 25.00 N ATOM 1540 CA GLN A 98 45.418 48.051 -9.736 1.00 25.00 C ATOM 1541 C GLN A 98 44.077 48.739 -10.022 1.00 25.00 C ATOM 1542 O GLN A 98 43.191 48.833 -9.206 1.00 25.00 O ATOM 1543 CB GLN A 98 46.618 49.040 -9.787 1.00 25.00 C ATOM 1544 CG GLN A 98 46.436 50.197 -8.785 1.00 25.00 C ATOM 1545 CD GLN A 98 47.546 51.204 -8.931 1.00 25.00 C ATOM 1546 OE1 GLN A 98 48.449 51.328 -8.145 1.00 25.00 O ATOM 1547 NE2 GLN A 98 47.487 51.981 -10.003 1.00 25.00 N ATOM 1548 OXT GLN A 98 43.939 49.222 -11.215 1.00 25.00 O ATOM 0 H GLN A 98 45.490 45.976 -10.022 1.00 25.00 H new ATOM 0 HA GLN A 98 45.389 47.701 -8.704 1.00 25.00 H new ATOM 0 HB2 GLN A 98 47.542 48.506 -9.564 1.00 25.00 H new ATOM 0 HB3 GLN A 98 46.718 49.442 -10.795 1.00 25.00 H new ATOM 0 HG2 GLN A 98 45.474 50.682 -8.952 1.00 25.00 H new ATOM 0 HG3 GLN A 98 46.424 49.806 -7.768 1.00 25.00 H new ATOM 0 HE21 GLN A 98 46.721 51.875 -10.668 1.00 25.00 H new ATOM 0 HE22 GLN A 98 48.207 52.685 -10.163 1.00 25.00 H new TER 1558 GLN A 98