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 5 HIS : no HE2:sc= 0.635 K(o=1.4,f=-0.29) USER MOD Set 1.2: A 98 GLN : amide:sc= 0.748 K(o=1.4,f=0.023) USER MOD Set 2.1: A 42 ASN : amide:sc= 0.0635 K(o=0.19,f=-2.8!) USER MOD Set 2.2: A 64 GLN : amide:sc= 0.123 K(o=0.19,f=-2.7) USER MOD Set 3.1: A 51 SER OG : rot 75:sc= 1.81 USER MOD Set 3.2: A 56 LYS NZ :NH3+ -170:sc= 0.773 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 167:sc= -0.092 (180deg=-0.209) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0798 USER MOD Single : A 2 GLN : amide:sc= 0.195 X(o=0.19,f=0) USER MOD Single : A 3 GLN : amide:sc= 0.175 X(o=0.17,f=-0.018) USER MOD Single : A 4 SER OG : rot 180:sc=-0.00813 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 79:sc= 0.019 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 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl -111:sc= 0 (180deg=-0.129) USER MOD Single : A 31 ASN : amide:sc= -4.52! C(o=-4.5!,f=-6.9!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 160:sc= -0.019 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 80 SER OG : rot 130:sc= 0.198 USER MOD Single : A 89 GLN : amide:sc= 1.14 K(o=1.1,f=-0.29) USER MOD Single : A 91 LYS NZ :NH3+ 173:sc= 0.625 (180deg=0.594) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 23.409 47.447 11.445 1.00 25.00 N ATOM 2 CA SER A 1 24.154 47.971 10.264 1.00 25.00 C ATOM 3 C SER A 1 23.449 47.745 8.946 1.00 25.00 C ATOM 4 O SER A 1 23.948 47.945 7.862 1.00 25.00 O ATOM 5 CB SER A 1 25.540 47.320 10.239 1.00 25.00 C ATOM 6 OG SER A 1 26.066 47.341 11.573 1.00 25.00 O ATOM 0 H1 SER A 1 24.037 47.436 12.274 1.00 25.00 H new ATOM 0 H2 SER A 1 22.590 48.059 11.638 1.00 25.00 H new ATOM 0 H3 SER A 1 23.080 46.481 11.247 1.00 25.00 H new ATOM 0 HA SER A 1 24.225 49.053 10.377 1.00 25.00 H new ATOM 0 HB2 SER A 1 25.473 46.296 9.872 1.00 25.00 H new ATOM 0 HB3 SER A 1 26.201 47.859 9.560 1.00 25.00 H new ATOM 0 HG SER A 1 26.954 46.927 11.581 1.00 25.00 H new ATOM 14 N GLN A 2 22.201 47.301 9.085 1.00 25.00 N ATOM 15 CA GLN A 2 21.316 46.999 7.963 1.00 25.00 C ATOM 16 C GLN A 2 19.979 47.671 8.249 1.00 25.00 C ATOM 17 O GLN A 2 19.672 47.955 9.403 1.00 25.00 O ATOM 18 CB GLN A 2 21.133 45.481 7.838 1.00 25.00 C ATOM 19 CG GLN A 2 20.613 45.016 6.479 1.00 25.00 C ATOM 20 CD GLN A 2 20.101 43.599 6.523 1.00 25.00 C ATOM 21 OE1 GLN A 2 20.759 42.703 7.016 1.00 25.00 O ATOM 22 NE2 GLN A 2 18.913 43.399 6.028 1.00 25.00 N ATOM 0 H GLN A 2 21.770 47.139 9.995 1.00 25.00 H new ATOM 0 HA GLN A 2 21.735 47.365 7.026 1.00 25.00 H new ATOM 0 HB2 GLN A 2 22.089 44.995 8.033 1.00 25.00 H new ATOM 0 HB3 GLN A 2 20.442 45.146 8.611 1.00 25.00 H new ATOM 0 HG2 GLN A 2 19.813 45.680 6.151 1.00 25.00 H new ATOM 0 HG3 GLN A 2 21.412 45.090 5.741 1.00 25.00 H new ATOM 0 HE21 GLN A 2 18.392 44.177 5.623 1.00 25.00 H new ATOM 0 HE22 GLN A 2 18.504 42.465 6.046 1.00 25.00 H new ATOM 31 N GLN A 3 19.197 47.938 7.209 1.00 25.00 N ATOM 32 CA GLN A 3 17.879 48.560 7.358 1.00 25.00 C ATOM 33 C GLN A 3 16.847 47.796 6.519 1.00 25.00 C ATOM 34 O GLN A 3 16.095 46.978 7.037 1.00 25.00 O ATOM 35 CB GLN A 3 17.939 50.035 6.923 1.00 25.00 C ATOM 36 CG GLN A 3 18.762 50.931 7.858 1.00 25.00 C ATOM 37 CD GLN A 3 18.065 51.191 9.179 1.00 25.00 C ATOM 38 OE1 GLN A 3 17.106 51.940 9.239 1.00 25.00 O ATOM 39 NE2 GLN A 3 18.538 50.580 10.229 1.00 25.00 N ATOM 0 H GLN A 3 19.453 47.732 6.243 1.00 25.00 H new ATOM 0 HA GLN A 3 17.580 48.520 8.405 1.00 25.00 H new ATOM 0 HB2 GLN A 3 18.362 50.090 5.920 1.00 25.00 H new ATOM 0 HB3 GLN A 3 16.924 50.427 6.863 1.00 25.00 H new ATOM 0 HG2 GLN A 3 19.728 50.462 8.047 1.00 25.00 H new ATOM 0 HG3 GLN A 3 18.960 51.882 7.363 1.00 25.00 H new ATOM 0 HE21 GLN A 3 19.343 49.960 10.139 1.00 25.00 H new ATOM 0 HE22 GLN A 3 18.103 50.722 11.141 1.00 25.00 H new ATOM 48 N SER A 4 16.841 48.042 5.218 1.00 25.00 N ATOM 49 CA SER A 4 15.920 47.355 4.312 1.00 25.00 C ATOM 50 C SER A 4 16.449 45.955 3.989 1.00 25.00 C ATOM 51 O SER A 4 17.604 45.636 4.290 1.00 25.00 O ATOM 52 CB SER A 4 15.751 48.166 3.024 1.00 25.00 C ATOM 53 OG SER A 4 14.674 47.669 2.248 1.00 25.00 O ATOM 0 H SER A 4 17.461 48.711 4.762 1.00 25.00 H new ATOM 0 HA SER A 4 14.949 47.260 4.798 1.00 25.00 H new ATOM 0 HB2 SER A 4 15.574 49.213 3.270 1.00 25.00 H new ATOM 0 HB3 SER A 4 16.672 48.127 2.442 1.00 25.00 H new ATOM 0 HG SER A 4 14.585 48.204 1.432 1.00 25.00 H new ATOM 59 N HIS A 5 15.610 45.137 3.369 1.00 25.00 N ATOM 60 CA HIS A 5 15.973 43.784 2.963 1.00 25.00 C ATOM 61 C HIS A 5 15.065 43.374 1.805 1.00 25.00 C ATOM 62 O HIS A 5 13.921 43.819 1.731 1.00 25.00 O ATOM 63 CB HIS A 5 15.796 42.805 4.132 1.00 25.00 C ATOM 64 CG HIS A 5 14.450 42.880 4.787 1.00 25.00 C ATOM 65 ND1 HIS A 5 14.147 43.705 5.843 1.00 25.00 N ATOM 66 CD2 HIS A 5 13.299 42.197 4.531 1.00 25.00 C ATOM 67 CE1 HIS A 5 12.877 43.501 6.178 1.00 25.00 C ATOM 68 NE2 HIS A 5 12.308 42.596 5.407 1.00 25.00 N ATOM 0 H HIS A 5 14.652 45.394 3.131 1.00 25.00 H new ATOM 0 HA HIS A 5 17.018 43.761 2.656 1.00 25.00 H new ATOM 0 HB2 HIS A 5 15.957 41.789 3.770 1.00 25.00 H new ATOM 0 HB3 HIS A 5 16.565 43.003 4.879 1.00 25.00 H new ATOM 0 HD1 HIS A 5 14.786 44.361 6.292 1.00 25.00 H new ATOM 0 HD2 HIS A 5 13.179 41.453 3.757 1.00 25.00 H new ATOM 0 HE1 HIS A 5 12.373 44.014 6.984 1.00 25.00 H new ATOM 76 N SER A 6 15.579 42.531 0.920 1.00 25.00 N ATOM 77 CA SER A 6 14.819 42.016 -0.221 1.00 25.00 C ATOM 78 C SER A 6 15.348 40.618 -0.502 1.00 25.00 C ATOM 79 O SER A 6 16.499 40.333 -0.177 1.00 25.00 O ATOM 80 CB SER A 6 15.045 42.891 -1.461 1.00 25.00 C ATOM 81 OG SER A 6 14.634 44.227 -1.232 1.00 25.00 O ATOM 0 H SER A 6 16.536 42.182 0.969 1.00 25.00 H new ATOM 0 HA SER A 6 13.752 42.013 0.004 1.00 25.00 H new ATOM 0 HB2 SER A 6 16.101 42.875 -1.732 1.00 25.00 H new ATOM 0 HB3 SER A 6 14.493 42.478 -2.305 1.00 25.00 H new ATOM 0 HG SER A 6 14.792 44.761 -2.039 1.00 25.00 H new ATOM 87 N SER A 7 14.538 39.762 -1.112 1.00 25.00 N ATOM 88 CA SER A 7 14.977 38.413 -1.476 1.00 25.00 C ATOM 89 C SER A 7 14.110 37.864 -2.615 1.00 25.00 C ATOM 90 O SER A 7 12.909 38.152 -2.668 1.00 25.00 O ATOM 91 CB SER A 7 14.852 37.482 -0.267 1.00 25.00 C ATOM 92 OG SER A 7 13.514 37.447 0.203 1.00 25.00 O ATOM 0 H SER A 7 13.573 39.974 -1.367 1.00 25.00 H new ATOM 0 HA SER A 7 16.017 38.463 -1.800 1.00 25.00 H new ATOM 0 HB2 SER A 7 15.173 36.477 -0.541 1.00 25.00 H new ATOM 0 HB3 SER A 7 15.514 37.822 0.530 1.00 25.00 H new ATOM 0 HG SER A 7 13.454 36.846 0.974 1.00 25.00 H new ATOM 98 N PRO A 8 14.690 37.057 -3.525 1.00 25.00 N ATOM 99 CA PRO A 8 13.891 36.422 -4.574 1.00 25.00 C ATOM 100 C PRO A 8 13.245 35.131 -4.062 1.00 25.00 C ATOM 101 O PRO A 8 13.350 34.801 -2.882 1.00 25.00 O ATOM 102 CB PRO A 8 14.942 36.125 -5.641 1.00 25.00 C ATOM 103 CG PRO A 8 16.132 35.751 -4.851 1.00 25.00 C ATOM 104 CD PRO A 8 16.105 36.650 -3.634 1.00 25.00 C ATOM 0 HA PRO A 8 13.065 37.036 -4.932 1.00 25.00 H new ATOM 0 HB2 PRO A 8 14.627 35.317 -6.301 1.00 25.00 H new ATOM 0 HB3 PRO A 8 15.134 36.994 -6.270 1.00 25.00 H new ATOM 0 HG2 PRO A 8 16.099 34.700 -4.564 1.00 25.00 H new ATOM 0 HG3 PRO A 8 17.047 35.895 -5.426 1.00 25.00 H new ATOM 0 HD2 PRO A 8 16.439 36.123 -2.740 1.00 25.00 H new ATOM 0 HD3 PRO A 8 16.760 37.512 -3.759 1.00 25.00 H new ATOM 112 N GLY A 9 12.618 34.380 -4.955 1.00 25.00 N ATOM 113 CA GLY A 9 12.027 33.096 -4.596 1.00 25.00 C ATOM 114 C GLY A 9 12.886 31.933 -5.036 1.00 25.00 C ATOM 115 O GLY A 9 12.378 30.861 -5.311 1.00 25.00 O ATOM 0 H GLY A 9 12.504 34.637 -5.936 1.00 25.00 H new ATOM 0 HA2 GLY A 9 11.884 33.052 -3.516 1.00 25.00 H new ATOM 0 HA3 GLY A 9 11.041 33.011 -5.052 1.00 25.00 H new ATOM 119 N GLU A 10 14.188 32.157 -5.114 1.00 25.00 N ATOM 120 CA GLU A 10 15.128 31.145 -5.616 1.00 25.00 C ATOM 121 C GLU A 10 15.581 30.168 -4.536 1.00 25.00 C ATOM 122 O GLU A 10 16.578 29.470 -4.673 1.00 25.00 O ATOM 123 CB GLU A 10 16.323 31.834 -6.280 1.00 25.00 C ATOM 124 CG GLU A 10 15.917 32.649 -7.507 1.00 25.00 C ATOM 125 CD GLU A 10 17.059 33.477 -8.064 1.00 25.00 C ATOM 126 OE1 GLU A 10 16.991 34.721 -7.942 1.00 25.00 O ATOM 127 OE2 GLU A 10 18.004 32.902 -8.637 1.00 25.00 O ATOM 0 H GLU A 10 14.628 33.034 -4.836 1.00 25.00 H new ATOM 0 HA GLU A 10 14.601 30.545 -6.358 1.00 25.00 H new ATOM 0 HB2 GLU A 10 16.809 32.489 -5.557 1.00 25.00 H new ATOM 0 HB3 GLU A 10 17.056 31.082 -6.573 1.00 25.00 H new ATOM 0 HG2 GLU A 10 15.551 31.975 -8.281 1.00 25.00 H new ATOM 0 HG3 GLU A 10 15.091 33.309 -7.243 1.00 25.00 H new ATOM 134 N ILE A 11 14.752 30.064 -3.511 1.00 25.00 N ATOM 135 CA ILE A 11 14.855 29.116 -2.430 1.00 25.00 C ATOM 136 C ILE A 11 14.429 27.704 -2.884 1.00 25.00 C ATOM 137 O ILE A 11 13.827 26.927 -2.135 1.00 25.00 O ATOM 138 CB ILE A 11 13.930 29.596 -1.265 1.00 25.00 C ATOM 139 CG1 ILE A 11 13.691 31.139 -1.326 1.00 25.00 C ATOM 140 CG2 ILE A 11 14.587 29.254 -0.017 1.00 25.00 C ATOM 141 CD1 ILE A 11 12.865 31.734 -0.158 1.00 25.00 C ATOM 0 H ILE A 11 13.944 30.678 -3.412 1.00 25.00 H new ATOM 0 HA ILE A 11 15.892 29.061 -2.100 1.00 25.00 H new ATOM 0 HB ILE A 11 12.957 29.111 -1.347 1.00 25.00 H new ATOM 0 HG12 ILE A 11 14.660 31.638 -1.354 1.00 25.00 H new ATOM 0 HG13 ILE A 11 13.185 31.374 -2.262 1.00 25.00 H new ATOM 0 HG21 ILE A 11 13.968 29.575 0.820 1.00 25.00 H new ATOM 0 HG22 ILE A 11 14.734 28.175 0.033 1.00 25.00 H new ATOM 0 HG23 ILE A 11 15.554 29.754 0.034 1.00 25.00 H new ATOM 0 HD11 ILE A 11 12.759 32.810 -0.298 1.00 25.00 H new ATOM 0 HD12 ILE A 11 11.878 31.271 -0.138 1.00 25.00 H new ATOM 0 HD13 ILE A 11 13.376 31.540 0.785 1.00 25.00 H new ATOM 153 N THR A 12 14.690 27.416 -4.144 1.00 25.00 N ATOM 154 CA THR A 12 14.274 26.180 -4.789 1.00 25.00 C ATOM 155 C THR A 12 15.480 25.360 -5.234 1.00 25.00 C ATOM 156 O THR A 12 16.629 25.745 -5.034 1.00 25.00 O ATOM 157 CB THR A 12 13.425 26.506 -6.040 1.00 25.00 C ATOM 158 OG1 THR A 12 14.180 27.341 -6.922 1.00 25.00 O ATOM 159 CG2 THR A 12 12.155 27.251 -5.657 1.00 25.00 C ATOM 0 H THR A 12 15.206 28.043 -4.761 1.00 25.00 H new ATOM 0 HA THR A 12 13.694 25.606 -4.067 1.00 25.00 H new ATOM 0 HB THR A 12 13.161 25.566 -6.524 1.00 25.00 H new ATOM 0 HG1 THR A 12 14.815 26.792 -7.428 1.00 25.00 H new ATOM 0 HG21 THR A 12 11.576 27.468 -6.555 1.00 25.00 H new ATOM 0 HG22 THR A 12 11.561 26.635 -4.982 1.00 25.00 H new ATOM 0 HG23 THR A 12 12.417 28.185 -5.159 1.00 25.00 H new ATOM 167 N SER A 13 15.211 24.239 -5.885 1.00 25.00 N ATOM 168 CA SER A 13 16.262 23.433 -6.489 1.00 25.00 C ATOM 169 C SER A 13 16.895 24.220 -7.637 1.00 25.00 C ATOM 170 O SER A 13 16.293 25.156 -8.153 1.00 25.00 O ATOM 171 CB SER A 13 15.668 22.136 -7.032 1.00 25.00 C ATOM 172 OG SER A 13 15.004 21.425 -5.999 1.00 25.00 O ATOM 0 H SER A 13 14.270 23.865 -6.009 1.00 25.00 H new ATOM 0 HA SER A 13 17.017 23.196 -5.740 1.00 25.00 H new ATOM 0 HB2 SER A 13 14.968 22.358 -7.837 1.00 25.00 H new ATOM 0 HB3 SER A 13 16.458 21.517 -7.458 1.00 25.00 H new ATOM 0 HG SER A 13 14.627 20.597 -6.362 1.00 25.00 H new ATOM 178 N SER A 14 18.085 23.794 -8.048 1.00 25.00 N ATOM 179 CA SER A 14 18.825 24.413 -9.160 1.00 25.00 C ATOM 180 C SER A 14 19.035 25.938 -9.039 1.00 25.00 C ATOM 181 O SER A 14 18.564 26.698 -9.874 1.00 25.00 O ATOM 182 CB SER A 14 18.123 24.096 -10.482 1.00 25.00 C ATOM 183 OG SER A 14 17.903 22.697 -10.593 1.00 25.00 O ATOM 0 H SER A 14 18.572 23.006 -7.622 1.00 25.00 H new ATOM 0 HA SER A 14 19.824 23.978 -9.123 1.00 25.00 H new ATOM 0 HB2 SER A 14 17.173 24.627 -10.535 1.00 25.00 H new ATOM 0 HB3 SER A 14 18.730 24.444 -11.318 1.00 25.00 H new ATOM 0 HG SER A 14 17.452 22.503 -11.441 1.00 25.00 H new ATOM 189 N PRO A 15 19.826 26.387 -8.038 1.00 25.00 N ATOM 190 CA PRO A 15 20.115 27.821 -7.852 1.00 25.00 C ATOM 191 C PRO A 15 21.049 28.433 -8.879 1.00 25.00 C ATOM 192 O PRO A 15 21.364 29.614 -8.832 1.00 25.00 O ATOM 193 CB PRO A 15 20.804 27.839 -6.503 1.00 25.00 C ATOM 194 CG PRO A 15 21.498 26.553 -6.425 1.00 25.00 C ATOM 195 CD PRO A 15 20.509 25.586 -7.000 1.00 25.00 C ATOM 0 HA PRO A 15 19.199 28.405 -7.944 1.00 25.00 H new ATOM 0 HB2 PRO A 15 21.503 28.672 -6.426 1.00 25.00 H new ATOM 0 HB3 PRO A 15 20.084 27.951 -5.692 1.00 25.00 H new ATOM 0 HG2 PRO A 15 22.427 26.563 -6.995 1.00 25.00 H new ATOM 0 HG3 PRO A 15 21.757 26.299 -5.397 1.00 25.00 H new ATOM 0 HD2 PRO A 15 21.000 24.710 -7.424 1.00 25.00 H new ATOM 0 HD3 PRO A 15 19.811 25.225 -6.244 1.00 25.00 H new ATOM 203 N GLN A 16 21.542 27.563 -9.742 1.00 25.00 N ATOM 204 CA GLN A 16 22.486 27.862 -10.837 1.00 25.00 C ATOM 205 C GLN A 16 23.905 28.181 -10.353 1.00 25.00 C ATOM 206 O GLN A 16 24.877 27.678 -10.907 1.00 25.00 O ATOM 207 CB GLN A 16 21.948 28.987 -11.728 1.00 25.00 C ATOM 208 CG GLN A 16 22.255 28.782 -13.190 1.00 25.00 C ATOM 209 CD GLN A 16 21.719 29.908 -14.051 1.00 25.00 C ATOM 210 OE1 GLN A 16 22.358 30.926 -14.225 1.00 25.00 O ATOM 211 NE2 GLN A 16 20.541 29.723 -14.590 1.00 25.00 N ATOM 0 H GLN A 16 21.290 26.575 -9.708 1.00 25.00 H new ATOM 0 HA GLN A 16 22.566 26.948 -11.425 1.00 25.00 H new ATOM 0 HB2 GLN A 16 20.869 29.062 -11.597 1.00 25.00 H new ATOM 0 HB3 GLN A 16 22.375 29.936 -11.403 1.00 25.00 H new ATOM 0 HG2 GLN A 16 23.334 28.705 -13.326 1.00 25.00 H new ATOM 0 HG3 GLN A 16 21.824 27.837 -13.521 1.00 25.00 H new ATOM 0 HE21 GLN A 16 20.034 28.854 -14.421 1.00 25.00 H new ATOM 0 HE22 GLN A 16 20.130 30.447 -15.179 1.00 25.00 H new ATOM 220 N GLY A 17 24.011 28.890 -9.238 1.00 25.00 N ATOM 221 CA GLY A 17 25.296 29.143 -8.602 1.00 25.00 C ATOM 222 C GLY A 17 25.925 27.893 -8.003 1.00 25.00 C ATOM 223 O GLY A 17 26.998 27.946 -7.420 1.00 25.00 O ATOM 0 H GLY A 17 23.215 29.303 -8.752 1.00 25.00 H new ATOM 0 HA2 GLY A 17 25.980 29.570 -9.336 1.00 25.00 H new ATOM 0 HA3 GLY A 17 25.165 29.888 -7.817 1.00 25.00 H new ATOM 227 N LEU A 18 25.271 26.755 -8.193 1.00 25.00 N ATOM 228 CA LEU A 18 25.818 25.457 -7.795 1.00 25.00 C ATOM 229 C LEU A 18 27.096 25.134 -8.586 1.00 25.00 C ATOM 230 O LEU A 18 27.955 24.408 -8.104 1.00 25.00 O ATOM 231 CB LEU A 18 24.759 24.366 -7.976 1.00 25.00 C ATOM 232 CG LEU A 18 24.396 23.991 -9.418 1.00 25.00 C ATOM 233 CD1 LEU A 18 25.175 22.756 -9.820 1.00 25.00 C ATOM 234 CD2 LEU A 18 22.904 23.744 -9.528 1.00 25.00 C ATOM 0 H LEU A 18 24.349 26.701 -8.626 1.00 25.00 H new ATOM 0 HA LEU A 18 26.091 25.499 -6.741 1.00 25.00 H new ATOM 0 HB2 LEU A 18 25.107 23.467 -7.468 1.00 25.00 H new ATOM 0 HB3 LEU A 18 23.849 24.687 -7.469 1.00 25.00 H new ATOM 0 HG LEU A 18 24.656 24.809 -10.090 1.00 25.00 H new ATOM 0 HD11 LEU A 18 24.922 22.484 -10.845 1.00 25.00 H new ATOM 0 HD12 LEU A 18 26.243 22.962 -9.753 1.00 25.00 H new ATOM 0 HD13 LEU A 18 24.921 21.933 -9.152 1.00 25.00 H new ATOM 0 HD21 LEU A 18 22.654 23.478 -10.555 1.00 25.00 H new ATOM 0 HD22 LEU A 18 22.620 22.929 -8.863 1.00 25.00 H new ATOM 0 HD23 LEU A 18 22.364 24.648 -9.245 1.00 25.00 H new ATOM 246 N ASP A 19 27.215 25.695 -9.786 1.00 25.00 N ATOM 247 CA ASP A 19 28.408 25.513 -10.621 1.00 25.00 C ATOM 248 C ASP A 19 29.376 26.667 -10.383 1.00 25.00 C ATOM 249 O ASP A 19 30.585 26.551 -10.549 1.00 25.00 O ATOM 250 CB ASP A 19 28.011 25.492 -12.096 1.00 25.00 C ATOM 251 CG ASP A 19 29.147 25.037 -12.998 1.00 25.00 C ATOM 252 OD1 ASP A 19 29.665 23.921 -12.779 1.00 25.00 O ATOM 253 OD2 ASP A 19 29.488 25.770 -13.950 1.00 25.00 O ATOM 0 H ASP A 19 26.497 26.284 -10.208 1.00 25.00 H new ATOM 0 HA ASP A 19 28.885 24.569 -10.359 1.00 25.00 H new ATOM 0 HB2 ASP A 19 27.157 24.828 -12.230 1.00 25.00 H new ATOM 0 HB3 ASP A 19 27.690 26.489 -12.397 1.00 25.00 H new ATOM 258 N ASN A 20 28.819 27.793 -9.963 1.00 25.00 N ATOM 259 CA ASN A 20 29.590 29.005 -9.712 1.00 25.00 C ATOM 260 C ASN A 20 29.585 29.411 -8.240 1.00 25.00 C ATOM 261 O ASN A 20 28.843 30.323 -7.846 1.00 25.00 O ATOM 262 CB ASN A 20 28.996 30.169 -10.503 1.00 25.00 C ATOM 263 CG ASN A 20 29.191 30.046 -11.983 1.00 25.00 C ATOM 264 OD1 ASN A 20 28.245 29.879 -12.722 1.00 25.00 O ATOM 265 ND2 ASN A 20 30.403 30.231 -12.430 1.00 25.00 N ATOM 0 H ASN A 20 27.820 27.894 -9.786 1.00 25.00 H new ATOM 0 HA ASN A 20 30.613 28.786 -10.017 1.00 25.00 H new ATOM 0 HB2 ASN A 20 27.929 30.236 -10.289 1.00 25.00 H new ATOM 0 HB3 ASN A 20 29.449 31.099 -10.161 1.00 25.00 H new ATOM 0 HD21 ASN A 20 30.581 30.239 -13.434 1.00 25.00 H new ATOM 0 HD22 ASN A 20 31.173 30.368 -11.775 1.00 25.00 H new ATOM 272 N PRO A 21 30.478 28.822 -7.424 1.00 25.00 N ATOM 273 CA PRO A 21 30.537 29.254 -6.022 1.00 25.00 C ATOM 274 C PRO A 21 30.861 30.730 -5.868 1.00 25.00 C ATOM 275 O PRO A 21 30.401 31.364 -4.939 1.00 25.00 O ATOM 276 CB PRO A 21 31.672 28.400 -5.439 1.00 25.00 C ATOM 277 CG PRO A 21 32.454 27.970 -6.607 1.00 25.00 C ATOM 278 CD PRO A 21 31.476 27.778 -7.699 1.00 25.00 C ATOM 0 HA PRO A 21 29.576 29.126 -5.523 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.283 28.975 -4.743 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.281 27.545 -4.888 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.198 28.719 -6.876 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.993 27.046 -6.398 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.934 27.904 -8.680 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.036 26.781 -7.678 1.00 25.00 H new ATOM 286 N ALA A 22 31.637 31.287 -6.788 1.00 25.00 N ATOM 287 CA ALA A 22 32.005 32.696 -6.717 1.00 25.00 C ATOM 288 C ALA A 22 30.777 33.603 -6.807 1.00 25.00 C ATOM 289 O ALA A 22 30.668 34.575 -6.062 1.00 25.00 O ATOM 290 CB ALA A 22 33.001 33.026 -7.832 1.00 25.00 C ATOM 0 H ALA A 22 32.023 30.788 -7.589 1.00 25.00 H new ATOM 0 HA ALA A 22 32.473 32.879 -5.750 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.274 34.080 -7.776 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.895 32.413 -7.715 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.545 32.820 -8.800 1.00 25.00 H new ATOM 296 N LEU A 23 29.863 33.275 -7.713 1.00 25.00 N ATOM 297 CA LEU A 23 28.664 34.084 -7.915 1.00 25.00 C ATOM 298 C LEU A 23 27.663 33.829 -6.798 1.00 25.00 C ATOM 299 O LEU A 23 27.014 34.748 -6.318 1.00 25.00 O ATOM 300 CB LEU A 23 27.997 33.757 -9.261 1.00 25.00 C ATOM 301 CG LEU A 23 28.842 33.872 -10.545 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.962 33.534 -11.750 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.466 35.236 -10.748 1.00 25.00 C ATOM 0 H LEU A 23 29.928 32.457 -8.319 1.00 25.00 H new ATOM 0 HA LEU A 23 28.967 35.131 -7.912 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.617 32.737 -9.204 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.134 34.413 -9.372 1.00 25.00 H new ATOM 0 HG LEU A 23 29.668 33.168 -10.442 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.551 33.612 -12.664 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.582 32.517 -11.649 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.125 34.231 -11.796 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.044 35.238 -11.672 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.681 35.990 -10.810 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.123 35.464 -9.908 1.00 25.00 H new ATOM 315 N LEU A 24 27.544 32.578 -6.374 1.00 25.00 N ATOM 316 CA LEU A 24 26.591 32.237 -5.322 1.00 25.00 C ATOM 317 C LEU A 24 27.000 32.874 -4.002 1.00 25.00 C ATOM 318 O LEU A 24 26.165 33.404 -3.290 1.00 25.00 O ATOM 319 CB LEU A 24 26.478 30.718 -5.170 1.00 25.00 C ATOM 320 CG LEU A 24 25.408 30.221 -4.179 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.047 30.892 -4.380 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.251 28.719 -4.307 1.00 25.00 C ATOM 0 H LEU A 24 28.085 31.792 -6.734 1.00 25.00 H new ATOM 0 HA LEU A 24 25.614 32.629 -5.606 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.267 30.289 -6.149 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.447 30.330 -4.854 1.00 25.00 H new ATOM 0 HG LEU A 24 25.755 30.488 -3.181 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.337 30.500 -3.652 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.149 31.969 -4.244 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.685 30.686 -5.387 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.494 28.371 -3.605 1.00 25.00 H new ATOM 0 HD22 LEU A 24 24.945 28.470 -5.323 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.201 28.234 -4.085 1.00 25.00 H new ATOM 334 N ARG A 25 28.294 32.875 -3.715 1.00 25.00 N ATOM 335 CA ARG A 25 28.836 33.534 -2.532 1.00 25.00 C ATOM 336 C ARG A 25 28.438 35.001 -2.547 1.00 25.00 C ATOM 337 O ARG A 25 28.010 35.539 -1.541 1.00 25.00 O ATOM 338 CB ARG A 25 30.368 33.366 -2.544 1.00 25.00 C ATOM 339 CG ARG A 25 31.152 34.068 -1.436 1.00 25.00 C ATOM 340 CD ARG A 25 31.562 35.494 -1.815 1.00 25.00 C ATOM 341 NE ARG A 25 32.377 35.571 -3.040 1.00 25.00 N ATOM 342 CZ ARG A 25 33.698 35.685 -3.080 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.443 35.722 -1.999 1.00 25.00 N ATOM 344 NH2 ARG A 25 34.282 35.770 -4.242 1.00 25.00 N ATOM 0 H ARG A 25 28.999 32.419 -4.295 1.00 25.00 H new ATOM 0 HA ARG A 25 28.439 33.089 -1.620 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.592 32.300 -2.495 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.741 33.726 -3.503 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.546 34.097 -0.530 1.00 25.00 H new ATOM 0 HG3 ARG A 25 32.045 33.487 -1.204 1.00 25.00 H new ATOM 0 HD2 ARG A 25 30.664 36.097 -1.948 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.121 35.933 -0.989 1.00 25.00 H new ATOM 0 HE ARG A 25 31.884 35.534 -3.932 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.009 35.662 -1.078 1.00 25.00 H new ATOM 0 HH12 ARG A 25 35.456 35.811 -2.080 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.724 35.748 -5.096 1.00 25.00 H new ATOM 0 HH22 ARG A 25 35.297 35.858 -4.298 1.00 25.00 H new ATOM 358 N ASP A 26 28.581 35.641 -3.693 1.00 25.00 N ATOM 359 CA ASP A 26 28.278 37.069 -3.815 1.00 25.00 C ATOM 360 C ASP A 26 26.784 37.349 -3.623 1.00 25.00 C ATOM 361 O ASP A 26 26.401 38.251 -2.880 1.00 25.00 O ATOM 362 CB ASP A 26 28.736 37.571 -5.184 1.00 25.00 C ATOM 363 CG ASP A 26 28.876 39.075 -5.229 1.00 25.00 C ATOM 364 OD1 ASP A 26 29.665 39.613 -4.422 1.00 25.00 O ATOM 365 OD2 ASP A 26 28.264 39.712 -6.110 1.00 25.00 O ATOM 0 H ASP A 26 28.904 35.202 -4.555 1.00 25.00 H new ATOM 0 HA ASP A 26 28.814 37.600 -3.028 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.692 37.112 -5.435 1.00 25.00 H new ATOM 0 HB3 ASP A 26 28.021 37.253 -5.943 1.00 25.00 H new ATOM 370 N MET A 27 25.944 36.530 -4.247 1.00 25.00 N ATOM 371 CA MET A 27 24.487 36.661 -4.125 1.00 25.00 C ATOM 372 C MET A 27 24.072 36.508 -2.679 1.00 25.00 C ATOM 373 O MET A 27 23.331 37.316 -2.140 1.00 25.00 O ATOM 374 CB MET A 27 23.798 35.570 -4.955 1.00 25.00 C ATOM 375 CG MET A 27 22.278 35.719 -5.088 1.00 25.00 C ATOM 376 SD MET A 27 21.284 35.282 -3.614 1.00 25.00 S ATOM 377 CE MET A 27 21.399 33.470 -3.576 1.00 25.00 C ATOM 0 H MET A 27 26.245 35.762 -4.847 1.00 25.00 H new ATOM 0 HA MET A 27 24.193 37.646 -4.488 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.236 35.563 -5.953 1.00 25.00 H new ATOM 0 HB3 MET A 27 24.015 34.601 -4.505 1.00 25.00 H new ATOM 0 HG2 MET A 27 22.058 36.753 -5.354 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.946 35.098 -5.920 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.427 33.039 -3.814 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.133 33.137 -4.309 1.00 25.00 H new ATOM 0 HE3 MET A 27 21.706 33.146 -2.582 1.00 25.00 H new ATOM 387 N LEU A 28 24.563 35.449 -2.061 1.00 25.00 N ATOM 388 CA LEU A 28 24.226 35.127 -0.686 1.00 25.00 C ATOM 389 C LEU A 28 24.632 36.225 0.279 1.00 25.00 C ATOM 390 O LEU A 28 23.879 36.567 1.174 1.00 25.00 O ATOM 391 CB LEU A 28 24.910 33.848 -0.283 1.00 25.00 C ATOM 392 CG LEU A 28 24.181 32.576 -0.698 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.132 31.445 -0.568 1.00 25.00 C ATOM 394 CD2 LEU A 28 22.969 32.346 0.171 1.00 25.00 C ATOM 0 H LEU A 28 25.206 34.788 -2.498 1.00 25.00 H new ATOM 0 HA LEU A 28 23.143 35.018 -0.637 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.910 33.835 -0.717 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.032 33.843 0.800 1.00 25.00 H new ATOM 0 HG LEU A 28 23.833 32.664 -1.727 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.637 30.518 -0.859 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.992 31.616 -1.216 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.467 31.368 0.466 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.464 31.433 -0.143 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.280 32.249 1.211 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.286 33.190 0.074 1.00 25.00 H new ATOM 406 N LEU A 29 25.812 36.793 0.089 1.00 25.00 N ATOM 407 CA LEU A 29 26.279 37.871 0.968 1.00 25.00 C ATOM 408 C LEU A 29 25.379 39.091 0.844 1.00 25.00 C ATOM 409 O LEU A 29 25.121 39.789 1.822 1.00 25.00 O ATOM 410 CB LEU A 29 27.712 38.276 0.621 1.00 25.00 C ATOM 411 CG LEU A 29 28.817 37.315 1.082 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.116 37.703 0.407 1.00 25.00 C ATOM 413 CD2 LEU A 29 28.992 37.319 2.599 1.00 25.00 C ATOM 0 H LEU A 29 26.462 36.535 -0.654 1.00 25.00 H new ATOM 0 HA LEU A 29 26.248 37.496 1.991 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.784 38.388 -0.461 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.906 39.256 1.057 1.00 25.00 H new ATOM 0 HG LEU A 29 28.528 36.303 0.799 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.909 37.027 0.727 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.998 37.637 -0.675 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.378 38.725 0.682 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.785 36.624 2.876 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.257 38.322 2.932 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.060 37.014 3.074 1.00 25.00 H new ATOM 425 N ALA A 30 24.895 39.333 -0.361 1.00 25.00 N ATOM 426 CA ALA A 30 24.008 40.459 -0.623 1.00 25.00 C ATOM 427 C ALA A 30 22.566 40.166 -0.176 1.00 25.00 C ATOM 428 O ALA A 30 21.729 41.070 -0.140 1.00 25.00 O ATOM 429 CB ALA A 30 24.038 40.791 -2.122 1.00 25.00 C ATOM 0 H ALA A 30 25.101 38.762 -1.181 1.00 25.00 H new ATOM 0 HA ALA A 30 24.362 41.313 -0.045 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.375 41.633 -2.321 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.055 41.051 -2.417 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.705 39.924 -2.693 1.00 25.00 H new ATOM 435 N ASN A 31 22.264 38.906 0.116 1.00 25.00 N ATOM 436 CA ASN A 31 20.899 38.492 0.430 1.00 25.00 C ATOM 437 C ASN A 31 20.724 38.102 1.899 1.00 25.00 C ATOM 438 O ASN A 31 21.011 36.970 2.292 1.00 25.00 O ATOM 439 CB ASN A 31 20.531 37.314 -0.456 1.00 25.00 C ATOM 440 CG ASN A 31 19.065 37.056 -0.484 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.344 37.250 0.496 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.607 36.583 -1.597 1.00 25.00 N ATOM 0 H ASN A 31 22.948 38.150 0.142 1.00 25.00 H new ATOM 0 HA ASN A 31 20.242 39.342 0.246 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.883 37.503 -1.470 1.00 25.00 H new ATOM 0 HB3 ASN A 31 21.047 36.422 -0.101 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.616 36.357 -1.686 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.236 36.436 -2.386 1.00 25.00 H new ATOM 449 N PRO A 32 20.211 39.021 2.731 1.00 25.00 N ATOM 450 CA PRO A 32 20.137 38.704 4.162 1.00 25.00 C ATOM 451 C PRO A 32 19.191 37.560 4.538 1.00 25.00 C ATOM 452 O PRO A 32 19.406 36.886 5.537 1.00 25.00 O ATOM 453 CB PRO A 32 19.680 40.029 4.776 1.00 25.00 C ATOM 454 CG PRO A 32 18.930 40.698 3.674 1.00 25.00 C ATOM 455 CD PRO A 32 19.726 40.387 2.460 1.00 25.00 C ATOM 0 HA PRO A 32 21.095 38.333 4.525 1.00 25.00 H new ATOM 0 HB2 PRO A 32 19.047 39.867 5.649 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.528 40.630 5.104 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.913 40.315 3.593 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.854 41.773 3.837 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.119 40.429 1.556 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.549 41.089 2.324 1.00 25.00 H new ATOM 463 N HIS A 33 18.142 37.333 3.761 1.00 25.00 N ATOM 464 CA HIS A 33 17.210 36.248 4.063 1.00 25.00 C ATOM 465 C HIS A 33 17.804 34.898 3.682 1.00 25.00 C ATOM 466 O HIS A 33 17.677 33.917 4.409 1.00 25.00 O ATOM 467 CB HIS A 33 15.901 36.461 3.298 1.00 25.00 C ATOM 468 CG HIS A 33 14.868 35.411 3.572 1.00 25.00 C ATOM 469 ND1 HIS A 33 14.163 35.297 4.746 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.412 34.397 2.786 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.338 34.259 4.635 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.437 33.681 3.456 1.00 25.00 N ATOM 0 H HIS A 33 17.914 37.875 2.928 1.00 25.00 H new ATOM 0 HA HIS A 33 17.017 36.253 5.136 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.492 37.437 3.559 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.114 36.479 2.229 1.00 25.00 H new ATOM 0 HD2 HIS A 33 14.761 34.183 1.786 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.669 33.931 5.417 1.00 25.00 H new ATOM 0 HE2 HIS A 33 12.909 32.879 3.112 1.00 25.00 H new ATOM 480 N GLU A 34 18.444 34.851 2.526 1.00 25.00 N ATOM 481 CA GLU A 34 18.972 33.596 1.995 1.00 25.00 C ATOM 482 C GLU A 34 20.177 33.179 2.812 1.00 25.00 C ATOM 483 O GLU A 34 20.359 32.020 3.121 1.00 25.00 O ATOM 484 CB GLU A 34 19.363 33.771 0.533 1.00 25.00 C ATOM 485 CG GLU A 34 18.429 33.102 -0.470 1.00 25.00 C ATOM 486 CD GLU A 34 18.656 31.596 -0.577 1.00 25.00 C ATOM 487 OE1 GLU A 34 17.656 30.853 -0.615 1.00 25.00 O ATOM 488 OE2 GLU A 34 19.825 31.163 -0.654 1.00 25.00 O ATOM 0 H GLU A 34 18.613 35.664 1.934 1.00 25.00 H new ATOM 0 HA GLU A 34 18.207 32.823 2.058 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.407 34.837 0.310 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.368 33.374 0.391 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.396 33.289 -0.178 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.571 33.557 -1.450 1.00 25.00 H new ATOM 495 N LEU A 35 20.978 34.140 3.230 1.00 25.00 N ATOM 496 CA LEU A 35 22.130 33.834 4.060 1.00 25.00 C ATOM 497 C LEU A 35 21.684 33.299 5.426 1.00 25.00 C ATOM 498 O LEU A 35 22.383 32.507 6.055 1.00 25.00 O ATOM 499 CB LEU A 35 23.030 35.054 4.141 1.00 25.00 C ATOM 500 CG LEU A 35 22.866 36.195 5.144 1.00 25.00 C ATOM 501 CD1 LEU A 35 23.122 35.829 6.596 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.864 37.229 4.689 1.00 25.00 C ATOM 0 H LEU A 35 20.856 35.129 3.012 1.00 25.00 H new ATOM 0 HA LEU A 35 22.720 33.035 3.612 1.00 25.00 H new ATOM 0 HB2 LEU A 35 24.041 34.672 4.283 1.00 25.00 H new ATOM 0 HB3 LEU A 35 23.000 35.515 3.154 1.00 25.00 H new ATOM 0 HG LEU A 35 21.828 36.529 5.147 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.979 36.709 7.224 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.427 35.048 6.902 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.145 35.468 6.705 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.821 38.093 5.352 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.867 36.802 4.714 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.627 37.540 3.672 1.00 25.00 H new ATOM 514 N SER A 36 20.523 33.751 5.883 1.00 25.00 N ATOM 515 CA SER A 36 19.974 33.346 7.175 1.00 25.00 C ATOM 516 C SER A 36 19.366 31.950 7.136 1.00 25.00 C ATOM 517 O SER A 36 19.579 31.154 8.034 1.00 25.00 O ATOM 518 CB SER A 36 18.944 34.350 7.672 1.00 25.00 C ATOM 519 OG SER A 36 18.803 34.239 9.079 1.00 25.00 O ATOM 0 H SER A 36 19.935 34.408 5.371 1.00 25.00 H new ATOM 0 HA SER A 36 20.811 33.322 7.872 1.00 25.00 H new ATOM 0 HB2 SER A 36 19.252 35.362 7.407 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.985 34.171 7.186 1.00 25.00 H new ATOM 0 HG SER A 36 18.407 35.062 9.434 1.00 25.00 H new ATOM 525 N LEU A 37 18.646 31.621 6.077 1.00 25.00 N ATOM 526 CA LEU A 37 18.101 30.273 5.953 1.00 25.00 C ATOM 527 C LEU A 37 19.226 29.313 5.765 1.00 25.00 C ATOM 528 O LEU A 37 19.181 28.175 6.168 1.00 25.00 O ATOM 529 CB LEU A 37 17.110 30.204 4.818 1.00 25.00 C ATOM 530 CG LEU A 37 17.482 30.307 3.345 1.00 25.00 C ATOM 531 CD1 LEU A 37 17.859 28.976 2.751 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.285 30.905 2.621 1.00 25.00 C ATOM 0 H LEU A 37 18.427 32.250 5.305 1.00 25.00 H new ATOM 0 HA LEU A 37 17.562 30.005 6.862 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.585 29.256 4.932 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.383 30.995 5.003 1.00 25.00 H new ATOM 0 HG LEU A 37 18.364 30.938 3.236 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.115 29.106 1.700 1.00 25.00 H new ATOM 0 HD12 LEU A 37 18.717 28.569 3.286 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.018 28.288 2.837 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.511 30.996 1.559 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.419 30.257 2.754 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.067 31.891 3.031 1.00 25.00 H new ATOM 544 N LEU A 38 20.269 29.792 5.138 1.00 25.00 N ATOM 545 CA LEU A 38 21.422 28.977 4.912 1.00 25.00 C ATOM 546 C LEU A 38 22.138 28.591 6.198 1.00 25.00 C ATOM 547 O LEU A 38 22.497 27.440 6.367 1.00 25.00 O ATOM 548 CB LEU A 38 22.322 29.729 3.982 1.00 25.00 C ATOM 549 CG LEU A 38 23.528 28.927 3.484 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.085 27.740 2.655 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.466 29.799 2.688 1.00 25.00 C ATOM 0 H LEU A 38 20.339 30.743 4.777 1.00 25.00 H new ATOM 0 HA LEU A 38 21.115 28.029 4.470 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.741 30.060 3.122 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.681 30.625 4.488 1.00 25.00 H new ATOM 0 HG LEU A 38 24.062 28.556 4.359 1.00 25.00 H new ATOM 0 HD11 LEU A 38 23.960 27.188 2.314 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.457 27.087 3.261 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.518 28.090 1.792 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.314 29.205 2.346 1.00 25.00 H new ATOM 0 HD22 LEU A 38 23.939 30.208 1.826 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.824 30.615 3.315 1.00 25.00 H new ATOM 563 N LYS A 39 22.302 29.518 7.131 1.00 25.00 N ATOM 564 CA LYS A 39 22.881 29.155 8.444 1.00 25.00 C ATOM 565 C LYS A 39 21.941 28.266 9.249 1.00 25.00 C ATOM 566 O LYS A 39 22.400 27.427 10.011 1.00 25.00 O ATOM 567 CB LYS A 39 23.316 30.384 9.264 1.00 25.00 C ATOM 568 CG LYS A 39 22.300 31.508 9.327 1.00 25.00 C ATOM 569 CD LYS A 39 22.641 32.592 10.329 1.00 25.00 C ATOM 570 CE LYS A 39 23.734 33.507 9.805 1.00 25.00 C ATOM 571 NZ LYS A 39 23.926 34.668 10.730 1.00 25.00 N ATOM 0 H LYS A 39 22.055 30.502 7.023 1.00 25.00 H new ATOM 0 HA LYS A 39 23.783 28.583 8.228 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.542 30.062 10.281 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.241 30.775 8.841 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.209 31.957 8.338 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.325 31.089 9.578 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.749 33.178 10.551 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.964 32.136 11.265 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.667 32.952 9.708 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.472 33.866 8.810 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.676 35.286 10.360 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.038 35.205 10.801 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.197 34.320 11.672 1.00 25.00 H new ATOM 585 N GLU A 40 20.646 28.421 9.046 1.00 25.00 N ATOM 586 CA GLU A 40 19.649 27.595 9.726 1.00 25.00 C ATOM 587 C GLU A 40 19.648 26.159 9.163 1.00 25.00 C ATOM 588 O GLU A 40 19.789 25.177 9.897 1.00 25.00 O ATOM 589 CB GLU A 40 18.283 28.260 9.501 1.00 25.00 C ATOM 590 CG GLU A 40 17.062 27.485 9.993 1.00 25.00 C ATOM 591 CD GLU A 40 15.988 27.301 8.910 1.00 25.00 C ATOM 592 OE1 GLU A 40 15.195 26.349 9.039 1.00 25.00 O ATOM 593 OE2 GLU A 40 15.963 28.056 7.911 1.00 25.00 O ATOM 0 H GLU A 40 20.251 29.115 8.412 1.00 25.00 H new ATOM 0 HA GLU A 40 19.876 27.522 10.790 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.291 29.233 9.993 1.00 25.00 H new ATOM 0 HB3 GLU A 40 18.164 28.444 8.433 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.381 26.506 10.350 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.626 28.008 10.844 1.00 25.00 H new ATOM 600 N ARG A 41 19.513 26.040 7.850 1.00 25.00 N ATOM 601 CA ARG A 41 19.408 24.726 7.199 1.00 25.00 C ATOM 602 C ARG A 41 20.746 24.032 6.958 1.00 25.00 C ATOM 603 O ARG A 41 20.830 22.801 7.014 1.00 25.00 O ATOM 604 CB ARG A 41 18.693 24.887 5.849 1.00 25.00 C ATOM 605 CG ARG A 41 17.314 25.558 5.941 1.00 25.00 C ATOM 606 CD ARG A 41 16.247 24.657 6.548 1.00 25.00 C ATOM 607 NE ARG A 41 15.721 23.695 5.566 1.00 25.00 N ATOM 608 CZ ARG A 41 14.732 23.950 4.713 1.00 25.00 C ATOM 609 NH1 ARG A 41 14.117 25.107 4.678 1.00 25.00 N ATOM 610 NH2 ARG A 41 14.359 23.019 3.878 1.00 25.00 N ATOM 0 H ARG A 41 19.473 26.832 7.208 1.00 25.00 H new ATOM 0 HA ARG A 41 18.848 24.095 7.889 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.326 25.474 5.183 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.576 23.904 5.393 1.00 25.00 H new ATOM 0 HG2 ARG A 41 17.398 26.465 6.540 1.00 25.00 H new ATOM 0 HG3 ARG A 41 16.998 25.863 4.943 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.667 24.117 7.397 1.00 25.00 H new ATOM 0 HD3 ARG A 41 15.430 25.268 6.932 1.00 25.00 H new ATOM 0 HE ARG A 41 16.144 22.767 5.537 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.392 25.851 5.320 1.00 25.00 H new ATOM 0 HH12 ARG A 41 13.363 25.264 4.009 1.00 25.00 H new ATOM 0 HH21 ARG A 41 14.824 22.111 3.885 1.00 25.00 H new ATOM 0 HH22 ARG A 41 13.602 23.199 3.218 1.00 25.00 H new ATOM 624 N ASN A 42 21.775 24.801 6.637 1.00 25.00 N ATOM 625 CA ASN A 42 23.088 24.253 6.259 1.00 25.00 C ATOM 626 C ASN A 42 24.276 24.956 6.927 1.00 25.00 C ATOM 627 O ASN A 42 25.076 25.620 6.248 1.00 25.00 O ATOM 628 CB ASN A 42 23.266 24.364 4.739 1.00 25.00 C ATOM 629 CG ASN A 42 24.287 23.398 4.209 1.00 25.00 C ATOM 630 OD1 ASN A 42 24.902 22.658 4.952 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.452 23.379 2.920 1.00 25.00 N ATOM 0 H ASN A 42 21.734 25.820 6.628 1.00 25.00 H new ATOM 0 HA ASN A 42 23.089 23.218 6.601 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.309 24.182 4.250 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.565 25.381 4.484 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.116 22.728 2.500 1.00 25.00 H new ATOM 0 HD22 ASN A 42 23.918 24.015 2.328 1.00 25.00 H new ATOM 638 N PRO A 43 24.441 24.797 8.252 1.00 25.00 N ATOM 639 CA PRO A 43 25.569 25.507 8.873 1.00 25.00 C ATOM 640 C PRO A 43 26.992 25.303 8.289 1.00 25.00 C ATOM 641 O PRO A 43 27.742 26.274 8.236 1.00 25.00 O ATOM 642 CB PRO A 43 25.483 25.085 10.349 1.00 25.00 C ATOM 643 CG PRO A 43 24.635 23.855 10.366 1.00 25.00 C ATOM 644 CD PRO A 43 23.657 24.047 9.250 1.00 25.00 C ATOM 0 HA PRO A 43 25.456 26.574 8.679 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.473 24.884 10.758 1.00 25.00 H new ATOM 0 HB3 PRO A 43 25.041 25.874 10.957 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.236 22.958 10.215 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.125 23.739 11.323 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.304 23.095 8.854 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.778 24.603 9.574 1.00 25.00 H new ATOM 652 N PRO A 44 27.374 24.094 7.796 1.00 25.00 N ATOM 653 CA PRO A 44 28.745 24.106 7.253 1.00 25.00 C ATOM 654 C PRO A 44 28.945 24.926 5.961 1.00 25.00 C ATOM 655 O PRO A 44 30.014 25.494 5.747 1.00 25.00 O ATOM 656 CB PRO A 44 29.025 22.619 7.002 1.00 25.00 C ATOM 657 CG PRO A 44 27.707 22.044 6.723 1.00 25.00 C ATOM 658 CD PRO A 44 26.790 22.739 7.692 1.00 25.00 C ATOM 0 HA PRO A 44 29.425 24.597 7.949 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.706 22.479 6.162 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.488 22.149 7.870 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.405 22.222 5.691 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.703 20.965 6.875 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.764 22.770 7.325 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.768 22.235 8.658 1.00 25.00 H new ATOM 666 N LEU A 45 27.938 25.017 5.098 1.00 25.00 N ATOM 667 CA LEU A 45 28.074 25.863 3.906 1.00 25.00 C ATOM 668 C LEU A 45 27.939 27.311 4.330 1.00 25.00 C ATOM 669 O LEU A 45 28.584 28.205 3.784 1.00 25.00 O ATOM 670 CB LEU A 45 27.037 25.512 2.832 1.00 25.00 C ATOM 671 CG LEU A 45 27.078 26.335 1.521 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.449 26.339 0.834 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.051 25.768 0.545 1.00 25.00 C ATOM 0 H LEU A 45 27.044 24.535 5.191 1.00 25.00 H new ATOM 0 HA LEU A 45 29.053 25.691 3.459 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.158 24.460 2.575 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.045 25.622 3.270 1.00 25.00 H new ATOM 0 HG LEU A 45 26.855 27.366 1.797 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.398 26.936 -0.077 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.192 26.767 1.507 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.733 25.317 0.583 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.074 26.342 -0.381 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.289 24.726 0.332 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.056 25.830 0.986 1.00 25.00 H new ATOM 685 N ALA A 46 27.113 27.540 5.331 1.00 25.00 N ATOM 686 CA ALA A 46 26.921 28.884 5.830 1.00 25.00 C ATOM 687 C ALA A 46 28.181 29.467 6.460 1.00 25.00 C ATOM 688 O ALA A 46 28.524 30.586 6.153 1.00 25.00 O ATOM 689 CB ALA A 46 25.819 28.908 6.809 1.00 25.00 C ATOM 0 H ALA A 46 26.570 26.821 5.809 1.00 25.00 H new ATOM 0 HA ALA A 46 26.673 29.507 4.971 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.683 29.924 7.179 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.900 28.569 6.331 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.059 28.248 7.643 1.00 25.00 H new ATOM 695 N GLU A 47 28.860 28.737 7.338 1.00 25.00 N ATOM 696 CA GLU A 47 30.034 29.289 8.035 1.00 25.00 C ATOM 697 C GLU A 47 31.103 29.705 7.031 1.00 25.00 C ATOM 698 O GLU A 47 31.826 30.687 7.234 1.00 25.00 O ATOM 699 CB GLU A 47 30.613 28.307 9.067 1.00 25.00 C ATOM 700 CG GLU A 47 31.217 27.034 8.478 1.00 25.00 C ATOM 701 CD GLU A 47 31.909 26.170 9.519 1.00 25.00 C ATOM 702 OE1 GLU A 47 32.448 25.111 9.133 1.00 25.00 O ATOM 703 OE2 GLU A 47 31.996 26.587 10.692 1.00 25.00 O ATOM 0 H GLU A 47 28.629 27.775 7.587 1.00 25.00 H new ATOM 0 HA GLU A 47 29.700 30.170 8.583 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.380 28.822 9.645 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.823 28.028 9.764 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.430 26.454 7.997 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.934 27.303 7.702 1.00 25.00 H new ATOM 710 N ALA A 48 31.159 28.992 5.917 1.00 25.00 N ATOM 711 CA ALA A 48 32.046 29.327 4.845 1.00 25.00 C ATOM 712 C ALA A 48 31.733 30.700 4.270 1.00 25.00 C ATOM 713 O ALA A 48 32.628 31.516 4.054 1.00 25.00 O ATOM 714 CB ALA A 48 31.933 28.271 3.788 1.00 25.00 C ATOM 0 H ALA A 48 30.585 28.167 5.743 1.00 25.00 H new ATOM 0 HA ALA A 48 33.067 29.368 5.224 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.603 28.510 2.962 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.207 27.304 4.209 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.907 28.230 3.423 1.00 25.00 H new ATOM 720 N LEU A 49 30.455 30.955 4.062 1.00 25.00 N ATOM 721 CA LEU A 49 30.001 32.228 3.543 1.00 25.00 C ATOM 722 C LEU A 49 30.275 33.342 4.547 1.00 25.00 C ATOM 723 O LEU A 49 30.692 34.431 4.174 1.00 25.00 O ATOM 724 CB LEU A 49 28.492 32.159 3.293 1.00 25.00 C ATOM 725 CG LEU A 49 27.866 33.426 2.717 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.102 33.473 1.226 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.389 33.446 3.049 1.00 25.00 C ATOM 0 H LEU A 49 29.706 30.288 4.248 1.00 25.00 H new ATOM 0 HA LEU A 49 30.535 32.438 2.616 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.291 31.332 2.611 1.00 25.00 H new ATOM 0 HB3 LEU A 49 27.995 31.924 4.234 1.00 25.00 H new ATOM 0 HG LEU A 49 28.327 34.311 3.157 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.655 34.378 0.815 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.174 33.475 1.027 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.648 32.599 0.758 1.00 25.00 H new ATOM 0 HD21 LEU A 49 25.936 34.349 2.640 1.00 25.00 H new ATOM 0 HD22 LEU A 49 25.907 32.570 2.615 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.259 33.433 4.131 1.00 25.00 H new ATOM 739 N LEU A 50 30.033 33.062 5.825 1.00 25.00 N ATOM 740 CA LEU A 50 30.168 34.076 6.880 1.00 25.00 C ATOM 741 C LEU A 50 31.605 34.553 6.988 1.00 25.00 C ATOM 742 O LEU A 50 31.872 35.681 7.379 1.00 25.00 O ATOM 743 CB LEU A 50 29.745 33.528 8.255 1.00 25.00 C ATOM 744 CG LEU A 50 28.390 32.818 8.417 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.066 32.651 9.884 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.242 33.494 7.675 1.00 25.00 C ATOM 0 H LEU A 50 29.742 32.144 6.160 1.00 25.00 H new ATOM 0 HA LEU A 50 29.513 34.902 6.602 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.517 32.830 8.577 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.759 34.363 8.955 1.00 25.00 H new ATOM 0 HG LEU A 50 28.496 31.839 7.950 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.105 32.147 9.989 1.00 25.00 H new ATOM 0 HD12 LEU A 50 28.843 32.054 10.363 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.016 33.631 10.359 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.322 32.933 7.839 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.118 34.511 8.046 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.464 33.522 6.608 1.00 25.00 H new ATOM 758 N SER A 51 32.530 33.670 6.648 1.00 25.00 N ATOM 759 CA SER A 51 33.943 33.977 6.696 1.00 25.00 C ATOM 760 C SER A 51 34.378 34.851 5.518 1.00 25.00 C ATOM 761 O SER A 51 35.413 35.500 5.573 1.00 25.00 O ATOM 762 CB SER A 51 34.709 32.682 6.641 1.00 25.00 C ATOM 763 OG SER A 51 34.337 31.814 7.703 1.00 25.00 O ATOM 0 H SER A 51 32.319 32.723 6.332 1.00 25.00 H new ATOM 0 HA SER A 51 34.144 34.526 7.616 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.526 32.190 5.686 1.00 25.00 H new ATOM 0 HB3 SER A 51 35.778 32.887 6.694 1.00 25.00 H new ATOM 0 HG SER A 51 33.461 31.419 7.511 1.00 25.00 H new ATOM 769 N GLY A 52 33.614 34.808 4.431 1.00 25.00 N ATOM 770 CA GLY A 52 33.929 35.582 3.238 1.00 25.00 C ATOM 771 C GLY A 52 34.871 34.854 2.297 1.00 25.00 C ATOM 772 O GLY A 52 34.930 35.152 1.099 1.00 25.00 O ATOM 0 H GLY A 52 32.769 34.242 4.353 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.006 35.818 2.709 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.379 36.530 3.534 1.00 25.00 H new ATOM 776 N ASP A 53 35.598 33.888 2.842 1.00 25.00 N ATOM 777 CA ASP A 53 36.561 33.096 2.080 1.00 25.00 C ATOM 778 C ASP A 53 35.892 32.321 0.953 1.00 25.00 C ATOM 779 O ASP A 53 35.078 31.422 1.190 1.00 25.00 O ATOM 780 CB ASP A 53 37.248 32.073 2.976 1.00 25.00 C ATOM 781 CG ASP A 53 38.344 31.339 2.262 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.693 30.235 2.711 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.795 31.813 1.199 1.00 25.00 O ATOM 0 H ASP A 53 35.538 33.629 3.827 1.00 25.00 H new ATOM 0 HA ASP A 53 37.280 33.805 1.670 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.660 32.577 3.850 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.510 31.357 3.339 1.00 25.00 H new ATOM 788 N LEU A 54 36.274 32.624 -0.278 1.00 25.00 N ATOM 789 CA LEU A 54 35.751 31.891 -1.415 1.00 25.00 C ATOM 790 C LEU A 54 36.262 30.465 -1.378 1.00 25.00 C ATOM 791 O LEU A 54 35.542 29.554 -1.723 1.00 25.00 O ATOM 792 CB LEU A 54 36.180 32.545 -2.734 1.00 25.00 C ATOM 793 CG LEU A 54 35.603 31.969 -4.049 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.459 30.840 -4.632 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.136 31.517 -3.933 1.00 25.00 C ATOM 0 H LEU A 54 36.936 33.364 -0.512 1.00 25.00 H new ATOM 0 HA LEU A 54 34.663 31.901 -1.357 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.913 33.601 -2.686 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.267 32.493 -2.795 1.00 25.00 H new ATOM 0 HG LEU A 54 35.630 32.808 -4.744 1.00 25.00 H new ATOM 0 HD11 LEU A 54 36.004 30.477 -5.553 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.460 31.215 -4.845 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.523 30.024 -3.913 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.799 31.125 -4.893 1.00 25.00 H new ATOM 0 HD22 LEU A 54 34.054 30.739 -3.174 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.515 32.367 -3.650 1.00 25.00 H new ATOM 807 N GLU A 55 37.502 30.268 -0.971 1.00 25.00 N ATOM 808 CA GLU A 55 38.093 28.935 -1.007 1.00 25.00 C ATOM 809 C GLU A 55 37.303 27.982 -0.139 1.00 25.00 C ATOM 810 O GLU A 55 36.886 26.919 -0.592 1.00 25.00 O ATOM 811 CB GLU A 55 39.536 28.963 -0.522 1.00 25.00 C ATOM 812 CG GLU A 55 40.438 29.847 -1.334 1.00 25.00 C ATOM 813 CD GLU A 55 40.808 29.220 -2.675 1.00 25.00 C ATOM 814 OE1 GLU A 55 41.934 28.700 -2.802 1.00 25.00 O ATOM 815 OE2 GLU A 55 39.952 29.225 -3.594 1.00 25.00 O ATOM 0 H GLU A 55 38.116 31.001 -0.615 1.00 25.00 H new ATOM 0 HA GLU A 55 38.070 28.594 -2.042 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.553 29.299 0.515 1.00 25.00 H new ATOM 0 HB3 GLU A 55 39.932 27.948 -0.535 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.946 30.804 -1.506 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.347 30.053 -0.768 1.00 25.00 H new ATOM 822 N LYS A 56 37.055 28.370 1.103 1.00 25.00 N ATOM 823 CA LYS A 56 36.287 27.516 1.998 1.00 25.00 C ATOM 824 C LYS A 56 34.868 27.377 1.480 1.00 25.00 C ATOM 825 O LYS A 56 34.340 26.280 1.521 1.00 25.00 O ATOM 826 CB LYS A 56 36.367 27.974 3.473 1.00 25.00 C ATOM 827 CG LYS A 56 35.440 28.990 3.926 1.00 25.00 C ATOM 828 CD LYS A 56 35.929 29.576 5.261 1.00 25.00 C ATOM 829 CE LYS A 56 35.430 28.786 6.481 1.00 25.00 C ATOM 830 NZ LYS A 56 35.931 29.368 7.770 1.00 25.00 N ATOM 0 H LYS A 56 37.367 29.252 1.509 1.00 25.00 H new ATOM 0 HA LYS A 56 36.735 26.522 2.001 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.231 27.095 4.102 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.377 28.341 3.653 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.357 29.780 3.179 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.446 28.561 4.048 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.019 29.593 5.267 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.594 30.610 5.342 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.340 28.777 6.486 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.757 27.749 6.400 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.716 28.716 8.552 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.959 29.510 7.710 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.465 30.281 7.943 1.00 25.00 H new ATOM 844 N PHE A 57 34.283 28.436 0.924 1.00 25.00 N ATOM 845 CA PHE A 57 32.937 28.353 0.346 1.00 25.00 C ATOM 846 C PHE A 57 32.868 27.374 -0.823 1.00 25.00 C ATOM 847 O PHE A 57 32.046 26.480 -0.818 1.00 25.00 O ATOM 848 CB PHE A 57 32.448 29.743 -0.078 1.00 25.00 C ATOM 849 CG PHE A 57 31.019 29.759 -0.546 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.714 29.661 -1.916 1.00 25.00 C ATOM 851 CD2 PHE A 57 29.967 29.865 0.382 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.370 29.664 -2.359 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.618 29.870 -0.052 1.00 25.00 C ATOM 854 CZ PHE A 57 28.324 29.767 -1.427 1.00 25.00 C ATOM 0 H PHE A 57 34.714 29.358 0.860 1.00 25.00 H new ATOM 0 HA PHE A 57 32.275 27.968 1.122 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.554 30.429 0.762 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.088 30.116 -0.877 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.514 29.583 -2.637 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.190 29.943 1.436 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.149 29.587 -3.413 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.818 29.952 0.668 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.298 29.767 -1.763 1.00 25.00 H new ATOM 864 N SER A 58 33.760 27.507 -1.792 1.00 25.00 N ATOM 865 CA SER A 58 33.830 26.597 -2.933 1.00 25.00 C ATOM 866 C SER A 58 34.109 25.164 -2.490 1.00 25.00 C ATOM 867 O SER A 58 33.535 24.207 -3.018 1.00 25.00 O ATOM 868 CB SER A 58 34.956 27.055 -3.865 1.00 25.00 C ATOM 869 OG SER A 58 35.027 26.246 -5.023 1.00 25.00 O ATOM 0 H SER A 58 34.459 28.250 -1.813 1.00 25.00 H new ATOM 0 HA SER A 58 32.868 26.616 -3.445 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.792 28.093 -4.154 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.907 27.018 -3.334 1.00 25.00 H new ATOM 0 HG SER A 58 35.753 26.563 -5.599 1.00 25.00 H new ATOM 875 N ARG A 59 34.978 25.015 -1.502 1.00 25.00 N ATOM 876 CA ARG A 59 35.369 23.692 -1.017 1.00 25.00 C ATOM 877 C ARG A 59 34.174 23.008 -0.404 1.00 25.00 C ATOM 878 O ARG A 59 33.879 21.868 -0.719 1.00 25.00 O ATOM 879 CB ARG A 59 36.506 23.810 0.014 1.00 25.00 C ATOM 880 CG ARG A 59 36.945 22.475 0.636 1.00 25.00 C ATOM 881 CD ARG A 59 36.335 22.278 2.032 1.00 25.00 C ATOM 882 NE ARG A 59 36.622 20.943 2.580 1.00 25.00 N ATOM 883 CZ ARG A 59 37.575 20.644 3.453 1.00 25.00 C ATOM 884 NH1 ARG A 59 38.405 21.540 3.934 1.00 25.00 N ATOM 885 NH2 ARG A 59 37.685 19.410 3.844 1.00 25.00 N ATOM 0 H ARG A 59 35.428 25.792 -1.018 1.00 25.00 H new ATOM 0 HA ARG A 59 35.731 23.098 -1.856 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.368 24.273 -0.466 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.187 24.481 0.812 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.644 21.653 -0.013 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.032 22.444 0.705 1.00 25.00 H new ATOM 0 HD2 ARG A 59 36.726 23.038 2.708 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.256 22.423 1.979 1.00 25.00 H new ATOM 0 HE ARG A 59 36.033 20.175 2.258 1.00 25.00 H new ATOM 0 HH11 ARG A 59 38.332 22.513 3.638 1.00 25.00 H new ATOM 0 HH12 ARG A 59 39.123 21.263 4.604 1.00 25.00 H new ATOM 0 HH21 ARG A 59 37.048 18.701 3.480 1.00 25.00 H new ATOM 0 HH22 ARG A 59 38.408 19.150 4.515 1.00 25.00 H new ATOM 899 N VAL A 60 33.475 23.692 0.480 1.00 25.00 N ATOM 900 CA VAL A 60 32.344 23.075 1.146 1.00 25.00 C ATOM 901 C VAL A 60 31.203 22.904 0.139 1.00 25.00 C ATOM 902 O VAL A 60 30.436 21.963 0.239 1.00 25.00 O ATOM 903 CB VAL A 60 31.938 23.832 2.443 1.00 25.00 C ATOM 904 CG1 VAL A 60 31.389 25.163 2.149 1.00 25.00 C ATOM 905 CG2 VAL A 60 30.952 23.001 3.268 1.00 25.00 C ATOM 0 H VAL A 60 33.664 24.657 0.751 1.00 25.00 H new ATOM 0 HA VAL A 60 32.625 22.082 1.497 1.00 25.00 H new ATOM 0 HB VAL A 60 32.842 23.980 3.034 1.00 25.00 H new ATOM 0 HG11 VAL A 60 31.118 25.659 3.081 1.00 25.00 H new ATOM 0 HG12 VAL A 60 32.138 25.758 1.626 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.504 25.061 1.521 1.00 25.00 H new ATOM 0 HG21 VAL A 60 30.681 23.549 4.171 1.00 25.00 H new ATOM 0 HG22 VAL A 60 30.056 22.808 2.678 1.00 25.00 H new ATOM 0 HG23 VAL A 60 31.416 22.054 3.544 1.00 25.00 H new ATOM 915 N LEU A 61 31.115 23.777 -0.858 1.00 25.00 N ATOM 916 CA LEU A 61 30.084 23.659 -1.889 1.00 25.00 C ATOM 917 C LEU A 61 30.201 22.326 -2.627 1.00 25.00 C ATOM 918 O LEU A 61 29.203 21.636 -2.830 1.00 25.00 O ATOM 919 CB LEU A 61 30.199 24.812 -2.896 1.00 25.00 C ATOM 920 CG LEU A 61 28.957 25.060 -3.761 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.137 26.165 -3.128 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.314 25.481 -5.172 1.00 25.00 C ATOM 0 H LEU A 61 31.742 24.573 -0.977 1.00 25.00 H new ATOM 0 HA LEU A 61 29.113 23.705 -1.397 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.428 25.727 -2.350 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.045 24.613 -3.554 1.00 25.00 H new ATOM 0 HG LEU A 61 28.400 24.125 -3.817 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.250 26.352 -3.733 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.835 25.865 -2.125 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.735 27.074 -3.070 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.401 25.645 -5.745 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.893 26.404 -5.141 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.905 24.698 -5.647 1.00 25.00 H new ATOM 934 N VAL A 62 31.413 21.942 -3.011 1.00 25.00 N ATOM 935 CA VAL A 62 31.604 20.670 -3.713 1.00 25.00 C ATOM 936 C VAL A 62 31.516 19.497 -2.733 1.00 25.00 C ATOM 937 O VAL A 62 30.969 18.452 -3.063 1.00 25.00 O ATOM 938 CB VAL A 62 32.929 20.650 -4.552 1.00 25.00 C ATOM 939 CG1 VAL A 62 34.190 20.716 -3.683 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.976 19.411 -5.439 1.00 25.00 C ATOM 0 H VAL A 62 32.266 22.479 -2.854 1.00 25.00 H new ATOM 0 HA VAL A 62 30.794 20.560 -4.434 1.00 25.00 H new ATOM 0 HB VAL A 62 32.919 21.548 -5.169 1.00 25.00 H new ATOM 0 HG11 VAL A 62 35.073 20.699 -4.322 1.00 25.00 H new ATOM 0 HG12 VAL A 62 34.182 21.637 -3.100 1.00 25.00 H new ATOM 0 HG13 VAL A 62 34.213 19.860 -3.009 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.901 19.411 -6.015 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.936 18.517 -4.817 1.00 25.00 H new ATOM 0 HG23 VAL A 62 32.125 19.418 -6.120 1.00 25.00 H new ATOM 950 N GLU A 63 31.979 19.682 -1.507 1.00 25.00 N ATOM 951 CA GLU A 63 31.870 18.635 -0.479 1.00 25.00 C ATOM 952 C GLU A 63 30.402 18.317 -0.193 1.00 25.00 C ATOM 953 O GLU A 63 30.032 17.164 -0.054 1.00 25.00 O ATOM 954 CB GLU A 63 32.554 19.067 0.819 1.00 25.00 C ATOM 955 CG GLU A 63 34.069 19.148 0.715 1.00 25.00 C ATOM 956 CD GLU A 63 34.769 17.979 1.371 1.00 25.00 C ATOM 957 OE1 GLU A 63 35.575 18.231 2.302 1.00 25.00 O ATOM 958 OE2 GLU A 63 34.557 16.826 0.951 1.00 25.00 O ATOM 0 H GLU A 63 32.433 20.539 -1.191 1.00 25.00 H new ATOM 0 HA GLU A 63 32.368 17.744 -0.861 1.00 25.00 H new ATOM 0 HB2 GLU A 63 32.167 20.041 1.116 1.00 25.00 H new ATOM 0 HB3 GLU A 63 32.290 18.364 1.609 1.00 25.00 H new ATOM 0 HG2 GLU A 63 34.354 19.192 -0.336 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.410 20.075 1.177 1.00 25.00 H new ATOM 965 N GLN A 64 29.556 19.337 -0.176 1.00 25.00 N ATOM 966 CA GLN A 64 28.117 19.151 0.026 1.00 25.00 C ATOM 967 C GLN A 64 27.500 18.354 -1.118 1.00 25.00 C ATOM 968 O GLN A 64 26.539 17.619 -0.922 1.00 25.00 O ATOM 969 CB GLN A 64 27.425 20.513 0.115 1.00 25.00 C ATOM 970 CG GLN A 64 27.571 21.189 1.474 1.00 25.00 C ATOM 971 CD GLN A 64 26.616 20.623 2.495 1.00 25.00 C ATOM 972 OE1 GLN A 64 25.411 20.603 2.275 1.00 25.00 O ATOM 973 NE2 GLN A 64 27.134 20.177 3.608 1.00 25.00 N ATOM 0 H GLN A 64 29.839 20.309 -0.300 1.00 25.00 H new ATOM 0 HA GLN A 64 27.977 18.598 0.955 1.00 25.00 H new ATOM 0 HB2 GLN A 64 27.835 21.169 -0.653 1.00 25.00 H new ATOM 0 HB3 GLN A 64 26.365 20.387 -0.106 1.00 25.00 H new ATOM 0 HG2 GLN A 64 28.594 21.069 1.830 1.00 25.00 H new ATOM 0 HG3 GLN A 64 27.394 22.259 1.367 1.00 25.00 H new ATOM 0 HE21 GLN A 64 28.143 20.212 3.751 1.00 25.00 H new ATOM 0 HE22 GLN A 64 26.529 19.793 4.334 1.00 25.00 H new ATOM 982 N GLN A 65 28.046 18.492 -2.313 1.00 25.00 N ATOM 983 CA GLN A 65 27.542 17.732 -3.457 1.00 25.00 C ATOM 984 C GLN A 65 28.054 16.287 -3.401 1.00 25.00 C ATOM 985 O GLN A 65 27.321 15.350 -3.716 1.00 25.00 O ATOM 986 CB GLN A 65 27.929 18.415 -4.770 1.00 25.00 C ATOM 987 CG GLN A 65 27.233 19.770 -4.937 1.00 25.00 C ATOM 988 CD GLN A 65 27.559 20.445 -6.249 1.00 25.00 C ATOM 989 OE1 GLN A 65 27.197 19.963 -7.306 1.00 25.00 O ATOM 990 NE2 GLN A 65 28.210 21.576 -6.180 1.00 25.00 N ATOM 0 H GLN A 65 28.828 19.113 -2.522 1.00 25.00 H new ATOM 0 HA GLN A 65 26.453 17.704 -3.410 1.00 25.00 H new ATOM 0 HB2 GLN A 65 29.009 18.556 -4.801 1.00 25.00 H new ATOM 0 HB3 GLN A 65 27.668 17.767 -5.607 1.00 25.00 H new ATOM 0 HG2 GLN A 65 26.154 19.629 -4.866 1.00 25.00 H new ATOM 0 HG3 GLN A 65 27.524 20.425 -4.116 1.00 25.00 H new ATOM 0 HE21 GLN A 65 28.495 21.946 -5.273 1.00 25.00 H new ATOM 0 HE22 GLN A 65 28.433 22.089 -7.033 1.00 25.00 H new ATOM 999 N GLN A 66 29.279 16.098 -2.932 1.00 25.00 N ATOM 1000 CA GLN A 66 29.835 14.755 -2.746 1.00 25.00 C ATOM 1001 C GLN A 66 29.101 14.025 -1.625 1.00 25.00 C ATOM 1002 O GLN A 66 28.864 12.826 -1.711 1.00 25.00 O ATOM 1003 CB GLN A 66 31.320 14.829 -2.399 1.00 25.00 C ATOM 1004 CG GLN A 66 32.202 15.299 -3.546 1.00 25.00 C ATOM 1005 CD GLN A 66 33.664 15.292 -3.169 1.00 25.00 C ATOM 1006 OE1 GLN A 66 34.339 14.286 -3.298 1.00 25.00 O ATOM 1007 NE2 GLN A 66 34.151 16.405 -2.686 1.00 25.00 N ATOM 0 H GLN A 66 29.911 16.855 -2.672 1.00 25.00 H new ATOM 0 HA GLN A 66 29.709 14.210 -3.682 1.00 25.00 H new ATOM 0 HB2 GLN A 66 31.452 15.504 -1.553 1.00 25.00 H new ATOM 0 HB3 GLN A 66 31.656 13.844 -2.076 1.00 25.00 H new ATOM 0 HG2 GLN A 66 32.047 14.655 -4.411 1.00 25.00 H new ATOM 0 HG3 GLN A 66 31.908 16.306 -3.842 1.00 25.00 H new ATOM 0 HE21 GLN A 66 33.553 17.226 -2.594 1.00 25.00 H new ATOM 0 HE22 GLN A 66 35.129 16.452 -2.401 1.00 25.00 H new ATOM 1016 N ASP A 67 28.723 14.747 -0.582 1.00 25.00 N ATOM 1017 CA ASP A 67 27.979 14.165 0.538 1.00 25.00 C ATOM 1018 C ASP A 67 26.671 13.565 0.073 1.00 25.00 C ATOM 1019 O ASP A 67 26.281 12.483 0.494 1.00 25.00 O ATOM 1020 CB ASP A 67 27.647 15.225 1.573 1.00 25.00 C ATOM 1021 CG ASP A 67 26.914 14.642 2.757 1.00 25.00 C ATOM 1022 OD1 ASP A 67 27.517 13.815 3.468 1.00 25.00 O ATOM 1023 OD2 ASP A 67 25.710 14.942 2.923 1.00 25.00 O ATOM 0 H ASP A 67 28.918 15.743 -0.482 1.00 25.00 H new ATOM 0 HA ASP A 67 28.616 13.393 0.969 1.00 25.00 H new ATOM 0 HB2 ASP A 67 28.566 15.701 1.913 1.00 25.00 H new ATOM 0 HB3 ASP A 67 27.036 16.002 1.114 1.00 25.00 H new ATOM 1028 N ARG A 68 26.013 14.252 -0.845 1.00 25.00 N ATOM 1029 CA ARG A 68 24.745 13.766 -1.393 1.00 25.00 C ATOM 1030 C ARG A 68 24.945 12.441 -2.108 1.00 25.00 C ATOM 1031 O ARG A 68 24.087 11.583 -2.056 1.00 25.00 O ATOM 1032 CB ARG A 68 24.134 14.803 -2.331 1.00 25.00 C ATOM 1033 CG ARG A 68 23.674 16.046 -1.589 1.00 25.00 C ATOM 1034 CD ARG A 68 23.561 17.244 -2.508 1.00 25.00 C ATOM 1035 NE ARG A 68 23.464 18.478 -1.711 1.00 25.00 N ATOM 1036 CZ ARG A 68 22.343 19.127 -1.417 1.00 25.00 C ATOM 1037 NH1 ARG A 68 21.167 18.735 -1.846 1.00 25.00 N ATOM 1038 NH2 ARG A 68 22.409 20.192 -0.668 1.00 25.00 N ATOM 0 H ARG A 68 26.328 15.143 -1.229 1.00 25.00 H new ATOM 0 HA ARG A 68 24.052 13.605 -0.567 1.00 25.00 H new ATOM 0 HB2 ARG A 68 24.867 15.084 -3.087 1.00 25.00 H new ATOM 0 HB3 ARG A 68 23.287 14.361 -2.857 1.00 25.00 H new ATOM 0 HG2 ARG A 68 22.708 15.854 -1.123 1.00 25.00 H new ATOM 0 HG3 ARG A 68 24.376 16.270 -0.786 1.00 25.00 H new ATOM 0 HD2 ARG A 68 24.429 17.292 -3.165 1.00 25.00 H new ATOM 0 HD3 ARG A 68 22.683 17.143 -3.146 1.00 25.00 H new ATOM 0 HE ARG A 68 24.335 18.869 -1.353 1.00 25.00 H new ATOM 0 HH11 ARG A 68 21.089 17.902 -2.429 1.00 25.00 H new ATOM 0 HH12 ARG A 68 20.331 19.263 -1.596 1.00 25.00 H new ATOM 0 HH21 ARG A 68 23.311 20.514 -0.318 1.00 25.00 H new ATOM 0 HH22 ARG A 68 21.558 20.703 -0.432 1.00 25.00 H new ATOM 1052 N ALA A 69 26.100 12.240 -2.721 1.00 25.00 N ATOM 1053 CA ALA A 69 26.401 10.953 -3.337 1.00 25.00 C ATOM 1054 C ALA A 69 26.691 9.899 -2.252 1.00 25.00 C ATOM 1055 O ALA A 69 26.260 8.753 -2.353 1.00 25.00 O ATOM 1056 CB ALA A 69 27.602 11.097 -4.291 1.00 25.00 C ATOM 0 H ALA A 69 26.837 12.940 -2.806 1.00 25.00 H new ATOM 0 HA ALA A 69 25.537 10.622 -3.913 1.00 25.00 H new ATOM 0 HB1 ALA A 69 27.822 10.132 -4.748 1.00 25.00 H new ATOM 0 HB2 ALA A 69 27.363 11.821 -5.070 1.00 25.00 H new ATOM 0 HB3 ALA A 69 28.472 11.440 -3.731 1.00 25.00 H new ATOM 1062 N ARG A 70 27.432 10.286 -1.223 1.00 25.00 N ATOM 1063 CA ARG A 70 27.837 9.362 -0.148 1.00 25.00 C ATOM 1064 C ARG A 70 26.683 8.859 0.690 1.00 25.00 C ATOM 1065 O ARG A 70 26.585 7.669 0.962 1.00 25.00 O ATOM 1066 CB ARG A 70 28.816 10.055 0.790 1.00 25.00 C ATOM 1067 CG ARG A 70 30.151 10.307 0.154 1.00 25.00 C ATOM 1068 CD ARG A 70 31.004 11.232 1.021 1.00 25.00 C ATOM 1069 NE ARG A 70 31.220 10.674 2.368 1.00 25.00 N ATOM 1070 CZ ARG A 70 31.863 11.283 3.358 1.00 25.00 C ATOM 1071 NH1 ARG A 70 32.404 12.469 3.218 1.00 25.00 N ATOM 1072 NH2 ARG A 70 31.962 10.684 4.512 1.00 25.00 N ATOM 0 H ARG A 70 27.772 11.240 -1.101 1.00 25.00 H new ATOM 0 HA ARG A 70 28.288 8.507 -0.651 1.00 25.00 H new ATOM 0 HB2 ARG A 70 28.390 11.003 1.117 1.00 25.00 H new ATOM 0 HB3 ARG A 70 28.953 9.443 1.682 1.00 25.00 H new ATOM 0 HG2 ARG A 70 30.671 9.361 0.004 1.00 25.00 H new ATOM 0 HG3 ARG A 70 30.011 10.753 -0.831 1.00 25.00 H new ATOM 0 HD2 ARG A 70 31.967 11.398 0.538 1.00 25.00 H new ATOM 0 HD3 ARG A 70 30.517 12.204 1.104 1.00 25.00 H new ATOM 0 HE ARG A 70 30.845 9.744 2.555 1.00 25.00 H new ATOM 0 HH11 ARG A 70 32.339 12.957 2.325 1.00 25.00 H new ATOM 0 HH12 ARG A 70 32.890 12.904 4.002 1.00 25.00 H new ATOM 0 HH21 ARG A 70 31.549 9.761 4.645 1.00 25.00 H new ATOM 0 HH22 ARG A 70 32.453 11.139 5.282 1.00 25.00 H new ATOM 1086 N ARG A 71 25.809 9.761 1.096 1.00 25.00 N ATOM 1087 CA ARG A 71 24.673 9.391 1.934 1.00 25.00 C ATOM 1088 C ARG A 71 23.737 8.469 1.183 1.00 25.00 C ATOM 1089 O ARG A 71 23.028 7.668 1.761 1.00 25.00 O ATOM 1090 CB ARG A 71 23.937 10.636 2.404 1.00 25.00 C ATOM 1091 CG ARG A 71 23.138 11.362 1.326 1.00 25.00 C ATOM 1092 CD ARG A 71 22.581 12.678 1.843 1.00 25.00 C ATOM 1093 NE ARG A 71 21.866 12.506 3.119 1.00 25.00 N ATOM 1094 CZ ARG A 71 20.654 11.981 3.264 1.00 25.00 C ATOM 1095 NH1 ARG A 71 19.942 11.533 2.252 1.00 25.00 N ATOM 1096 NH2 ARG A 71 20.151 11.894 4.464 1.00 25.00 N ATOM 0 H ARG A 71 25.859 10.753 0.863 1.00 25.00 H new ATOM 0 HA ARG A 71 25.045 8.859 2.809 1.00 25.00 H new ATOM 0 HB2 ARG A 71 23.259 10.356 3.210 1.00 25.00 H new ATOM 0 HB3 ARG A 71 24.663 11.331 2.826 1.00 25.00 H new ATOM 0 HG2 ARG A 71 23.776 11.549 0.462 1.00 25.00 H new ATOM 0 HG3 ARG A 71 22.320 10.727 0.987 1.00 25.00 H new ATOM 0 HD2 ARG A 71 23.395 13.390 1.976 1.00 25.00 H new ATOM 0 HD3 ARG A 71 21.904 13.103 1.102 1.00 25.00 H new ATOM 0 HE ARG A 71 22.343 12.817 3.965 1.00 25.00 H new ATOM 0 HH11 ARG A 71 20.316 11.580 1.304 1.00 25.00 H new ATOM 0 HH12 ARG A 71 19.016 11.138 2.415 1.00 25.00 H new ATOM 0 HH21 ARG A 71 20.686 12.225 5.267 1.00 25.00 H new ATOM 0 HH22 ARG A 71 19.222 11.495 4.600 1.00 25.00 H new ATOM 1110 N GLU A 72 23.740 8.573 -0.128 1.00 25.00 N ATOM 1111 CA GLU A 72 22.911 7.672 -0.918 1.00 25.00 C ATOM 1112 C GLU A 72 23.541 6.284 -1.007 1.00 25.00 C ATOM 1113 O GLU A 72 22.836 5.286 -0.989 1.00 25.00 O ATOM 1114 CB GLU A 72 22.609 8.251 -2.297 1.00 25.00 C ATOM 1115 CG GLU A 72 21.646 9.447 -2.225 1.00 25.00 C ATOM 1116 CD GLU A 72 20.360 9.121 -1.478 1.00 25.00 C ATOM 1117 OE1 GLU A 72 19.715 8.105 -1.805 1.00 25.00 O ATOM 1118 OE2 GLU A 72 20.000 9.864 -0.528 1.00 25.00 O ATOM 0 H GLU A 72 24.287 9.248 -0.662 1.00 25.00 H new ATOM 0 HA GLU A 72 21.955 7.564 -0.406 1.00 25.00 H new ATOM 0 HB2 GLU A 72 23.540 8.564 -2.770 1.00 25.00 H new ATOM 0 HB3 GLU A 72 22.176 7.475 -2.928 1.00 25.00 H new ATOM 0 HG2 GLU A 72 22.146 10.282 -1.733 1.00 25.00 H new ATOM 0 HG3 GLU A 72 21.402 9.773 -3.236 1.00 25.00 H new ATOM 1125 N GLN A 73 24.866 6.209 -1.038 1.00 25.00 N ATOM 1126 CA GLN A 73 25.563 4.914 -1.077 1.00 25.00 C ATOM 1127 C GLN A 73 25.232 4.057 0.147 1.00 25.00 C ATOM 1128 O GLN A 73 25.069 2.845 0.035 1.00 25.00 O ATOM 1129 CB GLN A 73 27.079 5.115 -1.152 1.00 25.00 C ATOM 1130 CG GLN A 73 27.561 5.678 -2.479 1.00 25.00 C ATOM 1131 CD GLN A 73 28.930 6.315 -2.371 1.00 25.00 C ATOM 1132 OE1 GLN A 73 29.783 5.866 -1.624 1.00 25.00 O ATOM 1133 NE2 GLN A 73 29.141 7.373 -3.111 1.00 25.00 N ATOM 0 H GLN A 73 25.483 7.021 -1.037 1.00 25.00 H new ATOM 0 HA GLN A 73 25.218 4.395 -1.971 1.00 25.00 H new ATOM 0 HB2 GLN A 73 27.387 5.787 -0.350 1.00 25.00 H new ATOM 0 HB3 GLN A 73 27.572 4.159 -0.974 1.00 25.00 H new ATOM 0 HG2 GLN A 73 27.592 4.879 -3.220 1.00 25.00 H new ATOM 0 HG3 GLN A 73 26.846 6.418 -2.838 1.00 25.00 H new ATOM 0 HE21 GLN A 73 28.405 7.721 -3.725 1.00 25.00 H new ATOM 0 HE22 GLN A 73 30.042 7.850 -3.074 1.00 25.00 H new ATOM 1142 N GLU A 74 25.122 4.670 1.314 1.00 25.00 N ATOM 1143 CA GLU A 74 24.770 3.917 2.520 1.00 25.00 C ATOM 1144 C GLU A 74 23.286 3.542 2.524 1.00 25.00 C ATOM 1145 O GLU A 74 22.916 2.462 2.983 1.00 25.00 O ATOM 1146 CB GLU A 74 25.161 4.687 3.788 1.00 25.00 C ATOM 1147 CG GLU A 74 24.612 6.086 3.867 1.00 25.00 C ATOM 1148 CD GLU A 74 25.162 6.872 5.035 1.00 25.00 C ATOM 1149 OE1 GLU A 74 26.367 6.728 5.337 1.00 25.00 O ATOM 1150 OE2 GLU A 74 24.406 7.678 5.611 1.00 25.00 O ATOM 0 H GLU A 74 25.267 5.669 1.458 1.00 25.00 H new ATOM 0 HA GLU A 74 25.341 2.989 2.513 1.00 25.00 H new ATOM 0 HB2 GLU A 74 24.818 4.127 4.658 1.00 25.00 H new ATOM 0 HB3 GLU A 74 26.248 4.734 3.848 1.00 25.00 H new ATOM 0 HG2 GLU A 74 24.842 6.613 2.941 1.00 25.00 H new ATOM 0 HG3 GLU A 74 23.526 6.040 3.946 1.00 25.00 H new ATOM 1157 N ARG A 75 22.437 4.380 1.946 1.00 25.00 N ATOM 1158 CA ARG A 75 21.010 4.056 1.864 1.00 25.00 C ATOM 1159 C ARG A 75 20.762 2.871 0.946 1.00 25.00 C ATOM 1160 O ARG A 75 19.961 2.003 1.269 1.00 25.00 O ATOM 1161 CB ARG A 75 20.204 5.257 1.372 1.00 25.00 C ATOM 1162 CG ARG A 75 20.053 6.355 2.414 1.00 25.00 C ATOM 1163 CD ARG A 75 19.248 7.514 1.857 1.00 25.00 C ATOM 1164 NE ARG A 75 17.810 7.190 1.838 1.00 25.00 N ATOM 1165 CZ ARG A 75 16.980 7.400 0.822 1.00 25.00 C ATOM 1166 NH1 ARG A 75 17.352 7.942 -0.306 1.00 25.00 N ATOM 1167 NH2 ARG A 75 15.730 7.051 0.951 1.00 25.00 N ATOM 0 H ARG A 75 22.699 5.275 1.532 1.00 25.00 H new ATOM 0 HA ARG A 75 20.683 3.793 2.870 1.00 25.00 H new ATOM 0 HB2 ARG A 75 20.687 5.671 0.487 1.00 25.00 H new ATOM 0 HB3 ARG A 75 19.214 4.919 1.066 1.00 25.00 H new ATOM 0 HG2 ARG A 75 19.561 5.957 3.301 1.00 25.00 H new ATOM 0 HG3 ARG A 75 21.037 6.705 2.726 1.00 25.00 H new ATOM 0 HD2 ARG A 75 19.417 8.404 2.462 1.00 25.00 H new ATOM 0 HD3 ARG A 75 19.587 7.746 0.847 1.00 25.00 H new ATOM 0 HE ARG A 75 17.418 6.767 2.679 1.00 25.00 H new ATOM 0 HH11 ARG A 75 18.322 8.227 -0.439 1.00 25.00 H new ATOM 0 HH12 ARG A 75 16.672 8.080 -1.054 1.00 25.00 H new ATOM 0 HH21 ARG A 75 15.406 6.626 1.820 1.00 25.00 H new ATOM 0 HH22 ARG A 75 15.076 7.203 0.183 1.00 25.00 H new ATOM 1181 N ILE A 76 21.430 2.827 -0.198 1.00 25.00 N ATOM 1182 CA ILE A 76 21.211 1.731 -1.148 1.00 25.00 C ATOM 1183 C ILE A 76 21.897 0.434 -0.719 1.00 25.00 C ATOM 1184 O ILE A 76 21.508 -0.639 -1.170 1.00 25.00 O ATOM 1185 CB ILE A 76 21.647 2.101 -2.600 1.00 25.00 C ATOM 1186 CG1 ILE A 76 23.176 2.288 -2.692 1.00 25.00 C ATOM 1187 CG2 ILE A 76 20.886 3.370 -3.059 1.00 25.00 C ATOM 1188 CD1 ILE A 76 23.707 2.549 -4.103 1.00 25.00 C ATOM 0 H ILE A 76 22.117 3.521 -0.493 1.00 25.00 H new ATOM 0 HA ILE A 76 20.134 1.564 -1.145 1.00 25.00 H new ATOM 0 HB ILE A 76 21.390 1.281 -3.270 1.00 25.00 H new ATOM 0 HG12 ILE A 76 23.465 3.120 -2.050 1.00 25.00 H new ATOM 0 HG13 ILE A 76 23.661 1.396 -2.296 1.00 25.00 H new ATOM 0 HG21 ILE A 76 21.190 3.630 -4.073 1.00 25.00 H new ATOM 0 HG22 ILE A 76 19.813 3.178 -3.039 1.00 25.00 H new ATOM 0 HG23 ILE A 76 21.119 4.197 -2.388 1.00 25.00 H new ATOM 0 HD11 ILE A 76 24.790 2.667 -4.068 1.00 25.00 H new ATOM 0 HD12 ILE A 76 23.454 1.708 -4.748 1.00 25.00 H new ATOM 0 HD13 ILE A 76 23.255 3.458 -4.499 1.00 25.00 H new ATOM 1200 N ARG A 77 22.897 0.510 0.155 1.00 25.00 N ATOM 1201 CA ARG A 77 23.547 -0.721 0.632 1.00 25.00 C ATOM 1202 C ARG A 77 22.698 -1.352 1.719 1.00 25.00 C ATOM 1203 O ARG A 77 22.699 -2.561 1.879 1.00 25.00 O ATOM 1204 CB ARG A 77 24.990 -0.483 1.125 1.00 25.00 C ATOM 1205 CG ARG A 77 25.158 -0.079 2.605 1.00 25.00 C ATOM 1206 CD ARG A 77 26.623 -0.098 3.038 1.00 25.00 C ATOM 1207 NE ARG A 77 27.340 1.147 2.704 1.00 25.00 N ATOM 1208 CZ ARG A 77 27.665 2.103 3.572 1.00 25.00 C ATOM 1209 NH1 ARG A 77 27.355 2.048 4.843 1.00 25.00 N ATOM 1210 NH2 ARG A 77 28.321 3.148 3.144 1.00 25.00 N ATOM 0 H ARG A 77 23.270 1.377 0.541 1.00 25.00 H new ATOM 0 HA ARG A 77 23.626 -1.404 -0.214 1.00 25.00 H new ATOM 0 HB2 ARG A 77 25.563 -1.394 0.954 1.00 25.00 H new ATOM 0 HB3 ARG A 77 25.437 0.295 0.507 1.00 25.00 H new ATOM 0 HG2 ARG A 77 24.747 0.919 2.758 1.00 25.00 H new ATOM 0 HG3 ARG A 77 24.585 -0.759 3.234 1.00 25.00 H new ATOM 0 HD2 ARG A 77 26.676 -0.263 4.114 1.00 25.00 H new ATOM 0 HD3 ARG A 77 27.126 -0.939 2.561 1.00 25.00 H new ATOM 0 HE ARG A 77 27.608 1.287 1.730 1.00 25.00 H new ATOM 0 HH11 ARG A 77 26.841 1.246 5.208 1.00 25.00 H new ATOM 0 HH12 ARG A 77 27.627 2.807 5.468 1.00 25.00 H new ATOM 0 HH21 ARG A 77 28.576 3.222 2.159 1.00 25.00 H new ATOM 0 HH22 ARG A 77 28.578 3.890 3.795 1.00 25.00 H new ATOM 1224 N LEU A 78 21.979 -0.495 2.436 1.00 25.00 N ATOM 1225 CA LEU A 78 21.092 -0.825 3.557 1.00 25.00 C ATOM 1226 C LEU A 78 21.789 -1.447 4.778 1.00 25.00 C ATOM 1227 O LEU A 78 21.639 -0.941 5.888 1.00 25.00 O ATOM 1228 CB LEU A 78 19.936 -1.678 3.035 1.00 25.00 C ATOM 1229 CG LEU A 78 18.759 -2.026 3.972 1.00 25.00 C ATOM 1230 CD1 LEU A 78 17.562 -2.427 3.110 1.00 25.00 C ATOM 1231 CD2 LEU A 78 19.069 -3.172 4.952 1.00 25.00 C ATOM 0 H LEU A 78 21.997 0.506 2.243 1.00 25.00 H new ATOM 0 HA LEU A 78 20.708 0.115 3.954 1.00 25.00 H new ATOM 0 HB2 LEU A 78 19.521 -1.167 2.166 1.00 25.00 H new ATOM 0 HB3 LEU A 78 20.359 -2.618 2.680 1.00 25.00 H new ATOM 0 HG LEU A 78 18.555 -1.142 4.576 1.00 25.00 H new ATOM 0 HD11 LEU A 78 16.718 -2.677 3.753 1.00 25.00 H new ATOM 0 HD12 LEU A 78 17.288 -1.597 2.459 1.00 25.00 H new ATOM 0 HD13 LEU A 78 17.825 -3.293 2.503 1.00 25.00 H new ATOM 0 HD21 LEU A 78 18.197 -3.361 5.578 1.00 25.00 H new ATOM 0 HD22 LEU A 78 19.316 -4.074 4.391 1.00 25.00 H new ATOM 0 HD23 LEU A 78 19.914 -2.894 5.582 1.00 25.00 H new ATOM 1243 N PHE A 79 22.560 -2.510 4.602 1.00 25.00 N ATOM 1244 CA PHE A 79 23.286 -3.103 5.719 1.00 25.00 C ATOM 1245 C PHE A 79 24.467 -2.229 6.095 1.00 25.00 C ATOM 1246 O PHE A 79 25.434 -2.103 5.350 1.00 25.00 O ATOM 1247 CB PHE A 79 23.798 -4.511 5.404 1.00 25.00 C ATOM 1248 CG PHE A 79 23.951 -4.796 3.929 1.00 25.00 C ATOM 1249 CD1 PHE A 79 22.937 -5.477 3.229 1.00 25.00 C ATOM 1250 CD2 PHE A 79 25.111 -4.398 3.237 1.00 25.00 C ATOM 1251 CE1 PHE A 79 23.077 -5.762 1.846 1.00 25.00 C ATOM 1252 CE2 PHE A 79 25.263 -4.674 1.855 1.00 25.00 C ATOM 1253 CZ PHE A 79 24.243 -5.358 1.160 1.00 25.00 C ATOM 0 H PHE A 79 22.699 -2.977 3.706 1.00 25.00 H new ATOM 0 HA PHE A 79 22.582 -3.175 6.548 1.00 25.00 H new ATOM 0 HB2 PHE A 79 24.762 -4.653 5.892 1.00 25.00 H new ATOM 0 HB3 PHE A 79 23.112 -5.240 5.835 1.00 25.00 H new ATOM 0 HD1 PHE A 79 22.043 -5.786 3.750 1.00 25.00 H new ATOM 0 HD2 PHE A 79 25.895 -3.876 3.766 1.00 25.00 H new ATOM 0 HE1 PHE A 79 22.294 -6.287 1.319 1.00 25.00 H new ATOM 0 HE2 PHE A 79 26.157 -4.362 1.335 1.00 25.00 H new ATOM 0 HZ PHE A 79 24.354 -5.572 0.107 1.00 25.00 H new ATOM 1263 N SER A 80 24.394 -1.652 7.276 1.00 25.00 N ATOM 1264 CA SER A 80 25.476 -0.862 7.819 1.00 25.00 C ATOM 1265 C SER A 80 25.512 -1.211 9.291 1.00 25.00 C ATOM 1266 O SER A 80 24.466 -1.441 9.895 1.00 25.00 O ATOM 1267 CB SER A 80 25.205 0.628 7.615 1.00 25.00 C ATOM 1268 OG SER A 80 24.982 0.906 6.240 1.00 25.00 O ATOM 0 H SER A 80 23.580 -1.719 7.887 1.00 25.00 H new ATOM 0 HA SER A 80 26.427 -1.071 7.330 1.00 25.00 H new ATOM 0 HB2 SER A 80 24.336 0.930 8.199 1.00 25.00 H new ATOM 0 HB3 SER A 80 26.051 1.211 7.978 1.00 25.00 H new ATOM 0 HG SER A 80 24.159 1.429 6.141 1.00 25.00 H new ATOM 1274 N ALA A 81 26.704 -1.289 9.849 1.00 25.00 N ATOM 1275 CA ALA A 81 26.890 -1.600 11.272 1.00 25.00 C ATOM 1276 C ALA A 81 27.525 -0.380 11.932 1.00 25.00 C ATOM 1277 O ALA A 81 28.082 -0.443 13.025 1.00 25.00 O ATOM 1278 CB ALA A 81 27.778 -2.841 11.431 1.00 25.00 C ATOM 0 H ALA A 81 27.575 -1.141 9.339 1.00 25.00 H new ATOM 0 HA ALA A 81 25.935 -1.823 11.748 1.00 25.00 H new ATOM 0 HB1 ALA A 81 27.909 -3.062 12.490 1.00 25.00 H new ATOM 0 HB2 ALA A 81 27.306 -3.691 10.939 1.00 25.00 H new ATOM 0 HB3 ALA A 81 28.751 -2.653 10.977 1.00 25.00 H new ATOM 1284 N ASP A 82 27.449 0.712 11.200 1.00 25.00 N ATOM 1285 CA ASP A 82 28.082 1.970 11.551 1.00 25.00 C ATOM 1286 C ASP A 82 26.976 3.006 11.733 1.00 25.00 C ATOM 1287 O ASP A 82 25.918 2.895 11.107 1.00 25.00 O ATOM 1288 CB ASP A 82 29.009 2.392 10.400 1.00 25.00 C ATOM 1289 CG ASP A 82 29.277 1.250 9.415 1.00 25.00 C ATOM 1290 OD1 ASP A 82 30.246 0.491 9.621 1.00 25.00 O ATOM 1291 OD2 ASP A 82 28.482 1.078 8.453 1.00 25.00 O ATOM 0 H ASP A 82 26.932 0.752 10.321 1.00 25.00 H new ATOM 0 HA ASP A 82 28.667 1.879 12.466 1.00 25.00 H new ATOM 0 HB2 ASP A 82 28.562 3.231 9.866 1.00 25.00 H new ATOM 0 HB3 ASP A 82 29.956 2.744 10.810 1.00 25.00 H new ATOM 1296 N PRO A 83 27.194 4.024 12.585 1.00 25.00 N ATOM 1297 CA PRO A 83 26.140 5.038 12.685 1.00 25.00 C ATOM 1298 C PRO A 83 26.136 5.938 11.453 1.00 25.00 C ATOM 1299 O PRO A 83 27.136 6.043 10.749 1.00 25.00 O ATOM 1300 CB PRO A 83 26.538 5.818 13.937 1.00 25.00 C ATOM 1301 CG PRO A 83 28.008 5.765 13.922 1.00 25.00 C ATOM 1302 CD PRO A 83 28.341 4.360 13.449 1.00 25.00 C ATOM 0 HA PRO A 83 25.136 4.618 12.743 1.00 25.00 H new ATOM 0 HB2 PRO A 83 26.173 6.845 13.903 1.00 25.00 H new ATOM 0 HB3 PRO A 83 26.129 5.364 14.840 1.00 25.00 H new ATOM 0 HG2 PRO A 83 28.424 6.517 13.252 1.00 25.00 H new ATOM 0 HG3 PRO A 83 28.421 5.957 14.912 1.00 25.00 H new ATOM 0 HD2 PRO A 83 29.282 4.331 12.900 1.00 25.00 H new ATOM 0 HD3 PRO A 83 28.436 3.665 14.283 1.00 25.00 H new ATOM 1310 N PHE A 84 25.017 6.605 11.212 1.00 25.00 N ATOM 1311 CA PHE A 84 24.879 7.468 10.033 1.00 25.00 C ATOM 1312 C PHE A 84 25.032 8.929 10.393 1.00 25.00 C ATOM 1313 O PHE A 84 24.814 9.823 9.585 1.00 25.00 O ATOM 1314 CB PHE A 84 23.519 7.244 9.368 1.00 25.00 C ATOM 1315 CG PHE A 84 23.234 5.804 9.043 1.00 25.00 C ATOM 1316 CD1 PHE A 84 22.336 5.057 9.831 1.00 25.00 C ATOM 1317 CD2 PHE A 84 23.850 5.185 7.941 1.00 25.00 C ATOM 1318 CE1 PHE A 84 22.054 3.702 9.522 1.00 25.00 C ATOM 1319 CE2 PHE A 84 23.569 3.837 7.614 1.00 25.00 C ATOM 1320 CZ PHE A 84 22.667 3.095 8.408 1.00 25.00 C ATOM 0 H PHE A 84 24.191 6.570 11.810 1.00 25.00 H new ATOM 0 HA PHE A 84 25.675 7.202 9.337 1.00 25.00 H new ATOM 0 HB2 PHE A 84 22.736 7.620 10.027 1.00 25.00 H new ATOM 0 HB3 PHE A 84 23.472 7.830 8.450 1.00 25.00 H new ATOM 0 HD1 PHE A 84 21.857 5.522 10.680 1.00 25.00 H new ATOM 0 HD2 PHE A 84 24.547 5.746 7.336 1.00 25.00 H new ATOM 0 HE1 PHE A 84 21.371 3.137 10.139 1.00 25.00 H new ATOM 0 HE2 PHE A 84 24.043 3.377 6.760 1.00 25.00 H new ATOM 0 HZ PHE A 84 22.448 2.066 8.162 1.00 25.00 H new ATOM 1330 N ASP A 85 25.398 9.149 11.638 1.00 25.00 N ATOM 1331 CA ASP A 85 25.587 10.484 12.183 1.00 25.00 C ATOM 1332 C ASP A 85 26.445 10.372 13.438 1.00 25.00 C ATOM 1333 O ASP A 85 26.007 9.858 14.464 1.00 25.00 O ATOM 1334 CB ASP A 85 24.249 11.139 12.520 1.00 25.00 C ATOM 1335 CG ASP A 85 24.393 12.619 12.775 1.00 25.00 C ATOM 1336 OD1 ASP A 85 23.372 13.333 12.783 1.00 25.00 O ATOM 1337 OD2 ASP A 85 25.545 13.077 12.958 1.00 25.00 O ATOM 0 H ASP A 85 25.575 8.402 12.309 1.00 25.00 H new ATOM 0 HA ASP A 85 26.080 11.110 11.439 1.00 25.00 H new ATOM 0 HB2 ASP A 85 23.550 10.979 11.699 1.00 25.00 H new ATOM 0 HB3 ASP A 85 23.822 10.659 13.401 1.00 25.00 H new ATOM 1342 N LEU A 86 27.697 10.778 13.316 1.00 25.00 N ATOM 1343 CA LEU A 86 28.638 10.737 14.432 1.00 25.00 C ATOM 1344 C LEU A 86 28.413 11.865 15.448 1.00 25.00 C ATOM 1345 O LEU A 86 28.671 11.690 16.634 1.00 25.00 O ATOM 1346 CB LEU A 86 30.082 10.758 13.903 1.00 25.00 C ATOM 1347 CG LEU A 86 30.442 11.849 12.876 1.00 25.00 C ATOM 1348 CD1 LEU A 86 31.177 13.021 13.533 1.00 25.00 C ATOM 1349 CD2 LEU A 86 31.321 11.252 11.777 1.00 25.00 C ATOM 0 H LEU A 86 28.092 11.143 12.449 1.00 25.00 H new ATOM 0 HA LEU A 86 28.460 9.804 14.968 1.00 25.00 H new ATOM 0 HB2 LEU A 86 30.752 10.863 14.756 1.00 25.00 H new ATOM 0 HB3 LEU A 86 30.290 9.788 13.452 1.00 25.00 H new ATOM 0 HG LEU A 86 29.512 12.226 12.450 1.00 25.00 H new ATOM 0 HD11 LEU A 86 31.415 13.771 12.778 1.00 25.00 H new ATOM 0 HD12 LEU A 86 30.541 13.466 14.299 1.00 25.00 H new ATOM 0 HD13 LEU A 86 32.099 12.662 13.990 1.00 25.00 H new ATOM 0 HD21 LEU A 86 31.574 12.026 11.052 1.00 25.00 H new ATOM 0 HD22 LEU A 86 32.235 10.855 12.218 1.00 25.00 H new ATOM 0 HD23 LEU A 86 30.781 10.448 11.276 1.00 25.00 H new ATOM 1361 N GLU A 87 28.005 13.036 14.973 1.00 25.00 N ATOM 1362 CA GLU A 87 27.800 14.198 15.847 1.00 25.00 C ATOM 1363 C GLU A 87 26.416 14.187 16.490 1.00 25.00 C ATOM 1364 O GLU A 87 26.264 14.515 17.666 1.00 25.00 O ATOM 1365 CB GLU A 87 28.057 15.503 15.078 1.00 25.00 C ATOM 1366 CG GLU A 87 27.262 15.692 13.785 1.00 25.00 C ATOM 1367 CD GLU A 87 27.709 16.921 13.011 1.00 25.00 C ATOM 1368 OE1 GLU A 87 26.871 17.822 12.778 1.00 25.00 O ATOM 1369 OE2 GLU A 87 28.903 17.001 12.648 1.00 25.00 O ATOM 0 H GLU A 87 27.808 13.212 13.988 1.00 25.00 H new ATOM 0 HA GLU A 87 28.523 14.137 16.660 1.00 25.00 H new ATOM 0 HB2 GLU A 87 27.838 16.340 15.741 1.00 25.00 H new ATOM 0 HB3 GLU A 87 29.119 15.556 14.838 1.00 25.00 H new ATOM 0 HG2 GLU A 87 27.376 14.808 13.158 1.00 25.00 H new ATOM 0 HG3 GLU A 87 26.202 15.780 14.022 1.00 25.00 H new ATOM 1376 N ALA A 88 25.431 13.788 15.697 1.00 25.00 N ATOM 1377 CA ALA A 88 24.033 13.648 16.115 1.00 25.00 C ATOM 1378 C ALA A 88 23.466 14.896 16.820 1.00 25.00 C ATOM 1379 O ALA A 88 22.673 14.791 17.763 1.00 25.00 O ATOM 1380 CB ALA A 88 23.877 12.392 16.988 1.00 25.00 C ATOM 0 H ALA A 88 25.581 13.545 14.718 1.00 25.00 H new ATOM 0 HA ALA A 88 23.439 13.540 15.208 1.00 25.00 H new ATOM 0 HB1 ALA A 88 22.837 12.291 17.297 1.00 25.00 H new ATOM 0 HB2 ALA A 88 24.173 11.512 16.416 1.00 25.00 H new ATOM 0 HB3 ALA A 88 24.511 12.481 17.870 1.00 25.00 H new ATOM 1386 N GLN A 89 23.868 16.074 16.360 1.00 25.00 N ATOM 1387 CA GLN A 89 23.398 17.325 16.956 1.00 25.00 C ATOM 1388 C GLN A 89 22.100 17.814 16.302 1.00 25.00 C ATOM 1389 O GLN A 89 21.821 17.533 15.136 1.00 25.00 O ATOM 1390 CB GLN A 89 24.483 18.411 16.886 1.00 25.00 C ATOM 1391 CG GLN A 89 24.795 18.945 15.486 1.00 25.00 C ATOM 1392 CD GLN A 89 25.854 20.033 15.518 1.00 25.00 C ATOM 1393 OE1 GLN A 89 25.823 20.921 16.360 1.00 25.00 O ATOM 1394 NE2 GLN A 89 26.793 19.966 14.618 1.00 25.00 N ATOM 0 H GLN A 89 24.515 16.193 15.580 1.00 25.00 H new ATOM 0 HA GLN A 89 23.182 17.121 18.005 1.00 25.00 H new ATOM 0 HB2 GLN A 89 24.176 19.247 17.514 1.00 25.00 H new ATOM 0 HB3 GLN A 89 25.401 18.010 17.315 1.00 25.00 H new ATOM 0 HG2 GLN A 89 25.135 18.126 14.852 1.00 25.00 H new ATOM 0 HG3 GLN A 89 23.884 19.339 15.036 1.00 25.00 H new ATOM 0 HE21 GLN A 89 26.788 19.212 13.931 1.00 25.00 H new ATOM 0 HE22 GLN A 89 27.533 20.667 14.600 1.00 25.00 H new ATOM 1403 N ALA A 90 21.303 18.538 17.075 1.00 25.00 N ATOM 1404 CA ALA A 90 20.026 19.066 16.603 1.00 25.00 C ATOM 1405 C ALA A 90 20.217 20.420 15.902 1.00 25.00 C ATOM 1406 O ALA A 90 21.271 21.045 16.009 1.00 25.00 O ATOM 1407 CB ALA A 90 19.062 19.216 17.796 1.00 25.00 C ATOM 0 H ALA A 90 21.520 18.776 18.043 1.00 25.00 H new ATOM 0 HA ALA A 90 19.604 18.369 15.879 1.00 25.00 H new ATOM 0 HB1 ALA A 90 18.108 19.610 17.446 1.00 25.00 H new ATOM 0 HB2 ALA A 90 18.904 18.243 18.261 1.00 25.00 H new ATOM 0 HB3 ALA A 90 19.491 19.901 18.527 1.00 25.00 H new ATOM 1413 N LYS A 91 19.162 20.885 15.244 1.00 25.00 N ATOM 1414 CA LYS A 91 19.129 22.199 14.603 1.00 25.00 C ATOM 1415 C LYS A 91 17.848 22.863 15.076 1.00 25.00 C ATOM 1416 O LYS A 91 17.024 22.203 15.699 1.00 25.00 O ATOM 1417 CB LYS A 91 19.114 22.057 13.079 1.00 25.00 C ATOM 1418 CG LYS A 91 20.409 21.508 12.507 1.00 25.00 C ATOM 1419 CD LYS A 91 20.345 21.444 10.993 1.00 25.00 C ATOM 1420 CE LYS A 91 21.624 20.846 10.433 1.00 25.00 C ATOM 1421 NZ LYS A 91 21.548 20.720 8.941 1.00 25.00 N ATOM 0 H LYS A 91 18.296 20.357 15.138 1.00 25.00 H new ATOM 0 HA LYS A 91 20.010 22.786 14.864 1.00 25.00 H new ATOM 0 HB2 LYS A 91 18.293 21.401 12.792 1.00 25.00 H new ATOM 0 HB3 LYS A 91 18.914 23.032 12.634 1.00 25.00 H new ATOM 0 HG2 LYS A 91 21.243 22.139 12.814 1.00 25.00 H new ATOM 0 HG3 LYS A 91 20.597 20.513 12.910 1.00 25.00 H new ATOM 0 HD2 LYS A 91 19.490 20.843 10.684 1.00 25.00 H new ATOM 0 HD3 LYS A 91 20.195 22.444 10.587 1.00 25.00 H new ATOM 0 HE2 LYS A 91 22.473 21.473 10.706 1.00 25.00 H new ATOM 0 HE3 LYS A 91 21.796 19.865 10.876 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 22.473 20.422 8.570 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 20.829 20.012 8.689 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 21.290 21.639 8.528 1.00 25.00 H new ATOM 1435 N ILE A 92 17.691 24.145 14.779 1.00 25.00 N ATOM 1436 CA ILE A 92 16.500 24.903 15.143 1.00 25.00 C ATOM 1437 C ILE A 92 16.101 25.643 13.876 1.00 25.00 C ATOM 1438 O ILE A 92 16.920 26.345 13.285 1.00 25.00 O ATOM 1439 CB ILE A 92 16.783 25.933 16.287 1.00 25.00 C ATOM 1440 CG1 ILE A 92 17.287 25.204 17.554 1.00 25.00 C ATOM 1441 CG2 ILE A 92 15.500 26.753 16.608 1.00 25.00 C ATOM 1442 CD1 ILE A 92 17.814 26.134 18.663 1.00 25.00 C ATOM 0 H ILE A 92 18.389 24.693 14.276 1.00 25.00 H new ATOM 0 HA ILE A 92 15.720 24.240 15.517 1.00 25.00 H new ATOM 0 HB ILE A 92 17.559 26.621 15.950 1.00 25.00 H new ATOM 0 HG12 ILE A 92 16.473 24.603 17.959 1.00 25.00 H new ATOM 0 HG13 ILE A 92 18.081 24.514 17.268 1.00 25.00 H new ATOM 0 HG21 ILE A 92 15.713 27.465 17.405 1.00 25.00 H new ATOM 0 HG22 ILE A 92 15.180 27.292 15.716 1.00 25.00 H new ATOM 0 HG23 ILE A 92 14.707 26.077 16.927 1.00 25.00 H new ATOM 0 HD11 ILE A 92 18.146 25.536 19.512 1.00 25.00 H new ATOM 0 HD12 ILE A 92 18.651 26.718 18.281 1.00 25.00 H new ATOM 0 HD13 ILE A 92 17.018 26.807 18.982 1.00 25.00 H new ATOM 1454 N GLU A 93 14.873 25.433 13.445 1.00 25.00 N ATOM 1455 CA GLU A 93 14.340 26.060 12.234 1.00 25.00 C ATOM 1456 C GLU A 93 13.662 27.401 12.547 1.00 25.00 C ATOM 1457 O GLU A 93 13.260 27.655 13.685 1.00 25.00 O ATOM 1458 CB GLU A 93 13.350 25.114 11.531 1.00 25.00 C ATOM 1459 CG GLU A 93 12.259 24.518 12.430 1.00 25.00 C ATOM 1460 CD GLU A 93 12.736 23.273 13.172 1.00 25.00 C ATOM 1461 OE1 GLU A 93 12.771 22.183 12.559 1.00 25.00 O ATOM 1462 OE2 GLU A 93 13.109 23.395 14.364 1.00 25.00 O ATOM 0 H GLU A 93 14.208 24.822 13.920 1.00 25.00 H new ATOM 0 HA GLU A 93 15.179 26.257 11.566 1.00 25.00 H new ATOM 0 HB2 GLU A 93 12.870 25.657 10.717 1.00 25.00 H new ATOM 0 HB3 GLU A 93 13.913 24.296 11.080 1.00 25.00 H new ATOM 0 HG2 GLU A 93 11.937 25.268 13.153 1.00 25.00 H new ATOM 0 HG3 GLU A 93 11.389 24.266 11.823 1.00 25.00 H new ATOM 1469 N GLU A 94 13.527 28.250 11.534 1.00 25.00 N ATOM 1470 CA GLU A 94 12.886 29.563 11.684 1.00 25.00 C ATOM 1471 C GLU A 94 12.038 29.898 10.456 1.00 25.00 C ATOM 1472 O GLU A 94 12.321 29.436 9.356 1.00 25.00 O ATOM 1473 CB GLU A 94 13.937 30.678 11.811 1.00 25.00 C ATOM 1474 CG GLU A 94 14.693 30.731 13.129 1.00 25.00 C ATOM 1475 CD GLU A 94 15.455 32.049 13.285 1.00 25.00 C ATOM 1476 OE1 GLU A 94 15.200 32.771 14.278 1.00 25.00 O ATOM 1477 OE2 GLU A 94 16.270 32.392 12.397 1.00 25.00 O ATOM 0 H GLU A 94 13.855 28.054 10.588 1.00 25.00 H new ATOM 0 HA GLU A 94 12.269 29.508 12.581 1.00 25.00 H new ATOM 0 HB2 GLU A 94 14.660 30.562 11.004 1.00 25.00 H new ATOM 0 HB3 GLU A 94 13.441 31.637 11.660 1.00 25.00 H new ATOM 0 HG2 GLU A 94 13.993 30.614 13.956 1.00 25.00 H new ATOM 0 HG3 GLU A 94 15.392 29.897 13.183 1.00 25.00 H new ATOM 1484 N ASP A 95 11.075 30.796 10.630 1.00 25.00 N ATOM 1485 CA ASP A 95 10.345 31.386 9.499 1.00 25.00 C ATOM 1486 C ASP A 95 10.363 32.905 9.661 1.00 25.00 C ATOM 1487 O ASP A 95 9.368 33.543 9.993 1.00 25.00 O ATOM 1488 CB ASP A 95 8.907 30.874 9.387 1.00 25.00 C ATOM 1489 CG ASP A 95 8.215 31.369 8.111 1.00 25.00 C ATOM 1490 OD1 ASP A 95 7.030 31.029 7.899 1.00 25.00 O ATOM 1491 OD2 ASP A 95 8.870 32.082 7.305 1.00 25.00 O ATOM 0 H ASP A 95 10.776 31.136 11.544 1.00 25.00 H new ATOM 0 HA ASP A 95 10.841 31.089 8.575 1.00 25.00 H new ATOM 0 HB2 ASP A 95 8.909 29.784 9.398 1.00 25.00 H new ATOM 0 HB3 ASP A 95 8.338 31.200 10.257 1.00 25.00 H new ATOM 1496 N ILE A 96 11.534 33.480 9.447 1.00 25.00 N ATOM 1497 CA ILE A 96 11.730 34.926 9.567 1.00 25.00 C ATOM 1498 C ILE A 96 11.480 35.605 8.214 1.00 25.00 C ATOM 1499 O ILE A 96 12.159 36.570 7.835 1.00 25.00 O ATOM 1500 CB ILE A 96 13.158 35.249 10.091 1.00 25.00 C ATOM 1501 CG1 ILE A 96 14.219 34.538 9.223 1.00 25.00 C ATOM 1502 CG2 ILE A 96 13.284 34.818 11.573 1.00 25.00 C ATOM 1503 CD1 ILE A 96 15.622 35.066 9.416 1.00 25.00 C ATOM 0 H ILE A 96 12.376 32.966 9.186 1.00 25.00 H new ATOM 0 HA ILE A 96 11.013 35.315 10.290 1.00 25.00 H new ATOM 0 HB ILE A 96 13.328 36.324 10.025 1.00 25.00 H new ATOM 0 HG12 ILE A 96 14.207 33.473 9.453 1.00 25.00 H new ATOM 0 HG13 ILE A 96 13.944 34.641 8.173 1.00 25.00 H new ATOM 0 HG21 ILE A 96 14.287 35.047 11.934 1.00 25.00 H new ATOM 0 HG22 ILE A 96 12.550 35.357 12.172 1.00 25.00 H new ATOM 0 HG23 ILE A 96 13.104 33.746 11.657 1.00 25.00 H new ATOM 0 HD11 ILE A 96 16.309 34.517 8.773 1.00 25.00 H new ATOM 0 HD12 ILE A 96 15.651 36.125 9.158 1.00 25.00 H new ATOM 0 HD13 ILE A 96 15.919 34.938 10.457 1.00 25.00 H new ATOM 1515 N ARG A 97 10.511 35.097 7.468 1.00 25.00 N ATOM 1516 CA ARG A 97 10.202 35.628 6.137 1.00 25.00 C ATOM 1517 C ARG A 97 9.286 36.857 6.225 1.00 25.00 C ATOM 1518 O ARG A 97 8.165 36.885 5.721 1.00 25.00 O ATOM 1519 CB ARG A 97 9.577 34.518 5.288 1.00 25.00 C ATOM 1520 CG ARG A 97 9.637 34.780 3.799 1.00 25.00 C ATOM 1521 CD ARG A 97 9.146 33.570 3.029 1.00 25.00 C ATOM 1522 NE ARG A 97 9.333 33.756 1.581 1.00 25.00 N ATOM 1523 CZ ARG A 97 8.484 34.378 0.769 1.00 25.00 C ATOM 1524 NH1 ARG A 97 7.356 34.895 1.195 1.00 25.00 N ATOM 1525 NH2 ARG A 97 8.783 34.489 -0.495 1.00 25.00 N ATOM 0 H ARG A 97 9.921 34.317 7.757 1.00 25.00 H new ATOM 0 HA ARG A 97 11.124 35.961 5.660 1.00 25.00 H new ATOM 0 HB2 ARG A 97 10.087 33.579 5.503 1.00 25.00 H new ATOM 0 HB3 ARG A 97 8.536 34.390 5.583 1.00 25.00 H new ATOM 0 HG2 ARG A 97 9.027 35.649 3.551 1.00 25.00 H new ATOM 0 HG3 ARG A 97 10.660 35.015 3.506 1.00 25.00 H new ATOM 0 HD2 ARG A 97 9.685 32.682 3.358 1.00 25.00 H new ATOM 0 HD3 ARG A 97 8.091 33.401 3.244 1.00 25.00 H new ATOM 0 HE ARG A 97 10.184 33.376 1.166 1.00 25.00 H new ATOM 0 HH11 ARG A 97 7.104 34.827 2.181 1.00 25.00 H new ATOM 0 HH12 ARG A 97 6.731 35.365 0.540 1.00 25.00 H new ATOM 0 HH21 ARG A 97 9.658 34.101 -0.848 1.00 25.00 H new ATOM 0 HH22 ARG A 97 8.142 34.963 -1.131 1.00 25.00 H new ATOM 1539 N GLN A 98 9.809 37.898 6.880 1.00 25.00 N ATOM 1540 CA GLN A 98 9.165 39.215 7.095 1.00 25.00 C ATOM 1541 C GLN A 98 7.906 39.169 7.973 1.00 25.00 C ATOM 1542 O GLN A 98 7.779 39.857 8.962 1.00 25.00 O ATOM 1543 CB GLN A 98 8.922 39.975 5.766 1.00 25.00 C ATOM 1544 CG GLN A 98 8.685 41.474 6.027 1.00 25.00 C ATOM 1545 CD GLN A 98 8.430 42.205 4.735 1.00 25.00 C ATOM 1546 OE1 GLN A 98 7.371 42.207 4.160 1.00 25.00 O ATOM 1547 NE2 GLN A 98 9.458 42.862 4.225 1.00 25.00 N ATOM 1548 OXT GLN A 98 6.959 38.377 7.553 1.00 25.00 O ATOM 0 H GLN A 98 10.738 37.852 7.298 1.00 25.00 H new ATOM 0 HA GLN A 98 9.891 39.789 7.672 1.00 25.00 H new ATOM 0 HB2 GLN A 98 9.781 39.848 5.107 1.00 25.00 H new ATOM 0 HB3 GLN A 98 8.060 39.550 5.252 1.00 25.00 H new ATOM 0 HG2 GLN A 98 7.835 41.602 6.697 1.00 25.00 H new ATOM 0 HG3 GLN A 98 9.553 41.903 6.528 1.00 25.00 H new ATOM 0 HE21 GLN A 98 10.355 42.861 4.710 1.00 25.00 H new ATOM 0 HE22 GLN A 98 9.354 43.369 3.346 1.00 25.00 H new TER 1558 GLN A 98