USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 755 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 14 HIS : no HD1:sc= -5.05! C(o=-5!,f=-11!) USER MOD Set 1.2: A 16 SER OG : rot -126:sc= 0.0163 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.123 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.0942 K(o=-0.094,f=-1.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.089) USER MOD Single : A 24 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -3.38! C(o=-3.4!,f=-4.5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -62:sc= 0.597 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.275 K(o=-0.28,f=-1.9!) USER MOD Single : A 46 TYR OH : rot -110:sc= 0.226 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -2.99! K(o=-3!,f=-1.4) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -160:sc= -0.349 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -3.38! C(o=-3.4!,f=-7.5!) USER MOD Single : A 73 GLN : amide:sc= -0.251 K(o=-0.25,f=-2.8!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 82 THR OG1 : rot 33:sc= -5.31! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.7!) USER MOD Single : A 92 ASN : amide:sc= -2.99 K(o=-3,f=-0.52) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.625 5.302 -7.447 1.00 0.00 N ATOM 2 CA GLY A 1 -14.625 4.277 -8.477 1.00 0.00 C ATOM 3 C GLY A 1 -13.227 3.685 -8.662 1.00 0.00 C ATOM 4 O GLY A 1 -12.284 4.087 -7.983 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.290 5.036 -6.693 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.669 5.394 -7.049 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.917 6.210 -7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.326 3.487 -8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.971 4.703 -9.419 1.00 0.00 H new ATOM 8 N SER A 2 -13.138 2.738 -9.584 1.00 0.00 N ATOM 9 CA SER A 2 -11.871 2.085 -9.867 1.00 0.00 C ATOM 10 C SER A 2 -11.424 1.262 -8.657 1.00 0.00 C ATOM 11 O SER A 2 -11.430 1.755 -7.530 1.00 0.00 O ATOM 12 CB SER A 2 -10.796 3.109 -10.239 1.00 0.00 C ATOM 13 OG SER A 2 -10.542 3.131 -11.641 1.00 0.00 O ATOM 0 H SER A 2 -13.923 2.407 -10.145 1.00 0.00 H new ATOM 0 HA SER A 2 -12.012 1.419 -10.719 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.111 4.100 -9.912 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.874 2.876 -9.707 1.00 0.00 H new ATOM 0 HG SER A 2 -9.852 3.798 -11.838 1.00 0.00 H new ATOM 19 N SER A 3 -11.048 0.022 -8.932 1.00 0.00 N ATOM 20 CA SER A 3 -10.600 -0.875 -7.880 1.00 0.00 C ATOM 21 C SER A 3 -11.729 -1.106 -6.873 1.00 0.00 C ATOM 22 O SER A 3 -12.657 -0.304 -6.780 1.00 0.00 O ATOM 23 CB SER A 3 -9.363 -0.318 -7.171 1.00 0.00 C ATOM 24 OG SER A 3 -8.168 -0.574 -7.904 1.00 0.00 O ATOM 0 H SER A 3 -11.044 -0.383 -9.868 1.00 0.00 H new ATOM 0 HA SER A 3 -10.327 -1.827 -8.336 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.479 0.757 -7.030 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.282 -0.763 -6.179 1.00 0.00 H new ATOM 0 HG SER A 3 -7.401 -0.202 -7.420 1.00 0.00 H new ATOM 30 N GLY A 4 -11.612 -2.207 -6.145 1.00 0.00 N ATOM 31 CA GLY A 4 -12.611 -2.554 -5.149 1.00 0.00 C ATOM 32 C GLY A 4 -13.654 -3.512 -5.729 1.00 0.00 C ATOM 33 O GLY A 4 -14.827 -3.160 -5.846 1.00 0.00 O ATOM 0 H GLY A 4 -10.841 -2.870 -6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.127 -3.016 -4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.102 -1.649 -4.791 1.00 0.00 H new ATOM 37 N SER A 5 -13.189 -4.702 -6.077 1.00 0.00 N ATOM 38 CA SER A 5 -14.067 -5.713 -6.643 1.00 0.00 C ATOM 39 C SER A 5 -13.479 -7.106 -6.412 1.00 0.00 C ATOM 40 O SER A 5 -12.844 -7.671 -7.301 1.00 0.00 O ATOM 41 CB SER A 5 -14.293 -5.473 -8.137 1.00 0.00 C ATOM 42 OG SER A 5 -15.676 -5.350 -8.455 1.00 0.00 O ATOM 0 H SER A 5 -12.215 -4.990 -5.978 1.00 0.00 H new ATOM 0 HA SER A 5 -15.033 -5.646 -6.142 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.769 -4.567 -8.442 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.862 -6.297 -8.706 1.00 0.00 H new ATOM 0 HG SER A 5 -15.778 -5.196 -9.417 1.00 0.00 H new ATOM 48 N SER A 6 -13.711 -7.620 -5.213 1.00 0.00 N ATOM 49 CA SER A 6 -13.211 -8.936 -4.853 1.00 0.00 C ATOM 50 C SER A 6 -14.183 -9.619 -3.888 1.00 0.00 C ATOM 51 O SER A 6 -14.682 -8.990 -2.956 1.00 0.00 O ATOM 52 CB SER A 6 -11.818 -8.845 -4.228 1.00 0.00 C ATOM 53 OG SER A 6 -11.258 -10.132 -3.981 1.00 0.00 O ATOM 0 H SER A 6 -14.239 -7.149 -4.478 1.00 0.00 H new ATOM 0 HA SER A 6 -13.132 -9.532 -5.762 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.159 -8.284 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.876 -8.289 -3.292 1.00 0.00 H new ATOM 0 HG SER A 6 -10.368 -10.031 -3.583 1.00 0.00 H new ATOM 59 N GLY A 7 -14.422 -10.896 -4.145 1.00 0.00 N ATOM 60 CA GLY A 7 -15.325 -11.671 -3.311 1.00 0.00 C ATOM 61 C GLY A 7 -14.812 -13.101 -3.130 1.00 0.00 C ATOM 62 O GLY A 7 -15.020 -13.953 -3.993 1.00 0.00 O ATOM 0 H GLY A 7 -14.006 -11.414 -4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.428 -11.192 -2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.317 -11.691 -3.763 1.00 0.00 H new ATOM 66 N MET A 8 -14.153 -13.321 -2.002 1.00 0.00 N ATOM 67 CA MET A 8 -13.609 -14.634 -1.697 1.00 0.00 C ATOM 68 C MET A 8 -13.394 -14.802 -0.192 1.00 0.00 C ATOM 69 O MET A 8 -12.677 -14.017 0.428 1.00 0.00 O ATOM 70 CB MET A 8 -12.277 -14.817 -2.427 1.00 0.00 C ATOM 71 CG MET A 8 -12.288 -16.089 -3.277 1.00 0.00 C ATOM 72 SD MET A 8 -10.989 -16.018 -4.499 1.00 0.00 S ATOM 73 CE MET A 8 -9.877 -17.249 -3.841 1.00 0.00 C ATOM 0 H MET A 8 -13.983 -12.613 -1.288 1.00 0.00 H new ATOM 0 HA MET A 8 -14.322 -15.388 -2.029 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.085 -13.952 -3.062 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.465 -14.867 -1.702 1.00 0.00 H new ATOM 0 HG2 MET A 8 -12.152 -16.963 -2.640 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.255 -16.200 -3.768 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.004 -17.334 -4.488 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.560 -16.955 -2.840 1.00 0.00 H new ATOM 0 HE3 MET A 8 -10.387 -18.211 -3.792 1.00 0.00 H new ATOM 83 N ASP A 9 -14.028 -15.830 0.354 1.00 0.00 N ATOM 84 CA ASP A 9 -13.915 -16.110 1.775 1.00 0.00 C ATOM 85 C ASP A 9 -12.884 -17.220 1.990 1.00 0.00 C ATOM 86 O ASP A 9 -11.917 -17.039 2.729 1.00 0.00 O ATOM 87 CB ASP A 9 -15.250 -16.587 2.350 1.00 0.00 C ATOM 88 CG ASP A 9 -16.147 -15.479 2.904 1.00 0.00 C ATOM 89 OD1 ASP A 9 -16.435 -14.540 2.130 1.00 0.00 O ATOM 90 OD2 ASP A 9 -16.526 -15.595 4.090 1.00 0.00 O ATOM 0 H ASP A 9 -14.622 -16.479 -0.163 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.614 -15.191 2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.795 -17.119 1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.050 -17.304 3.146 1.00 0.00 H new ATOM 95 N MET A 10 -13.126 -18.345 1.333 1.00 0.00 N ATOM 96 CA MET A 10 -12.231 -19.484 1.443 1.00 0.00 C ATOM 97 C MET A 10 -12.156 -19.984 2.887 1.00 0.00 C ATOM 98 O MET A 10 -12.608 -19.304 3.808 1.00 0.00 O ATOM 99 CB MET A 10 -10.833 -19.083 0.968 1.00 0.00 C ATOM 100 CG MET A 10 -10.604 -19.509 -0.483 1.00 0.00 C ATOM 101 SD MET A 10 -9.427 -20.849 -0.547 1.00 0.00 S ATOM 102 CE MET A 10 -10.134 -21.820 -1.868 1.00 0.00 C ATOM 0 H MET A 10 -13.930 -18.492 0.722 1.00 0.00 H new ATOM 0 HA MET A 10 -12.619 -20.289 0.819 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.710 -18.004 1.058 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.081 -19.544 1.609 1.00 0.00 H new ATOM 0 HG2 MET A 10 -11.547 -19.820 -0.932 1.00 0.00 H new ATOM 0 HG3 MET A 10 -10.237 -18.664 -1.065 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.518 -22.703 -2.041 1.00 0.00 H new ATOM 0 HE2 MET A 10 -11.142 -22.129 -1.593 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.174 -21.222 -2.778 1.00 0.00 H new ATOM 112 N GLY A 11 -11.581 -21.168 3.041 1.00 0.00 N ATOM 113 CA GLY A 11 -11.441 -21.767 4.357 1.00 0.00 C ATOM 114 C GLY A 11 -10.212 -21.215 5.082 1.00 0.00 C ATOM 115 O GLY A 11 -10.218 -20.074 5.542 1.00 0.00 O ATOM 0 H GLY A 11 -11.207 -21.729 2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.336 -21.569 4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.355 -22.849 4.261 1.00 0.00 H new ATOM 119 N ASN A 12 -9.187 -22.051 5.163 1.00 0.00 N ATOM 120 CA ASN A 12 -7.954 -21.661 5.824 1.00 0.00 C ATOM 121 C ASN A 12 -7.473 -20.327 5.252 1.00 0.00 C ATOM 122 O ASN A 12 -7.208 -20.220 4.055 1.00 0.00 O ATOM 123 CB ASN A 12 -6.854 -22.699 5.594 1.00 0.00 C ATOM 124 CG ASN A 12 -6.978 -23.859 6.584 1.00 0.00 C ATOM 125 OD1 ASN A 12 -7.722 -24.805 6.382 1.00 0.00 O ATOM 126 ND2 ASN A 12 -6.209 -23.735 7.662 1.00 0.00 N ATOM 0 H ASN A 12 -9.186 -22.997 4.782 1.00 0.00 H new ATOM 0 HA ASN A 12 -8.155 -21.580 6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.915 -23.079 4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -5.877 -22.228 5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.219 -24.458 8.382 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.609 -22.917 7.769 1.00 0.00 H new ATOM 133 N GLN A 13 -7.373 -19.343 6.133 1.00 0.00 N ATOM 134 CA GLN A 13 -6.928 -18.019 5.730 1.00 0.00 C ATOM 135 C GLN A 13 -5.436 -18.040 5.395 1.00 0.00 C ATOM 136 O GLN A 13 -4.594 -17.999 6.291 1.00 0.00 O ATOM 137 CB GLN A 13 -7.232 -16.985 6.815 1.00 0.00 C ATOM 138 CG GLN A 13 -7.197 -15.565 6.245 1.00 0.00 C ATOM 139 CD GLN A 13 -8.272 -14.688 6.890 1.00 0.00 C ATOM 140 OE1 GLN A 13 -8.851 -15.021 7.911 1.00 0.00 O ATOM 141 NE2 GLN A 13 -8.506 -13.552 6.239 1.00 0.00 N ATOM 0 H GLN A 13 -7.592 -19.436 7.125 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.477 -17.729 4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.213 -17.183 7.247 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.505 -17.075 7.622 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.214 -15.125 6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.349 -15.599 5.166 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.985 -13.335 5.389 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.206 -12.898 6.589 1.00 0.00 H new ATOM 150 N HIS A 14 -5.153 -18.105 4.102 1.00 0.00 N ATOM 151 CA HIS A 14 -3.777 -18.132 3.637 1.00 0.00 C ATOM 152 C HIS A 14 -2.958 -17.086 4.396 1.00 0.00 C ATOM 153 O HIS A 14 -3.454 -16.000 4.693 1.00 0.00 O ATOM 154 CB HIS A 14 -3.712 -17.948 2.119 1.00 0.00 C ATOM 155 CG HIS A 14 -2.499 -18.577 1.476 1.00 0.00 C ATOM 156 ND1 HIS A 14 -1.344 -17.867 1.200 1.00 0.00 N ATOM 157 CD2 HIS A 14 -2.274 -19.856 1.059 1.00 0.00 C ATOM 158 CE1 HIS A 14 -0.470 -18.690 0.641 1.00 0.00 C ATOM 159 NE2 HIS A 14 -1.048 -19.923 0.554 1.00 0.00 N ATOM 0 H HIS A 14 -5.854 -18.140 3.362 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.339 -19.108 3.845 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.610 -18.375 1.673 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.719 -16.882 1.892 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.974 -20.675 1.128 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.525 -18.431 0.312 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.610 -20.758 0.165 1.00 0.00 H new ATOM 167 N PRO A 15 -1.685 -17.459 4.696 1.00 0.00 N ATOM 168 CA PRO A 15 -0.793 -16.566 5.415 1.00 0.00 C ATOM 169 C PRO A 15 -0.286 -15.446 4.503 1.00 0.00 C ATOM 170 O PRO A 15 0.114 -14.386 4.980 1.00 0.00 O ATOM 171 CB PRO A 15 0.322 -17.458 5.936 1.00 0.00 C ATOM 172 CG PRO A 15 0.262 -18.728 5.103 1.00 0.00 C ATOM 173 CD PRO A 15 -1.064 -18.737 4.360 1.00 0.00 C ATOM 0 HA PRO A 15 -1.288 -16.049 6.237 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.292 -16.970 5.836 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.184 -17.678 6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.094 -18.762 4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.348 -19.607 5.741 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.915 -18.834 3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.687 -19.575 4.672 1.00 0.00 H new ATOM 181 N SER A 16 -0.321 -15.721 3.207 1.00 0.00 N ATOM 182 CA SER A 16 0.130 -14.750 2.225 1.00 0.00 C ATOM 183 C SER A 16 -1.013 -13.797 1.868 1.00 0.00 C ATOM 184 O SER A 16 -0.781 -12.727 1.307 1.00 0.00 O ATOM 185 CB SER A 16 0.655 -15.444 0.966 1.00 0.00 C ATOM 186 OG SER A 16 1.712 -16.353 1.258 1.00 0.00 O ATOM 0 H SER A 16 -0.654 -16.602 2.815 1.00 0.00 H new ATOM 0 HA SER A 16 0.949 -14.178 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.161 -15.980 0.481 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.008 -14.693 0.259 1.00 0.00 H new ATOM 0 HG SER A 16 2.492 -16.137 0.705 1.00 0.00 H new ATOM 192 N ILE A 17 -2.221 -14.220 2.209 1.00 0.00 N ATOM 193 CA ILE A 17 -3.400 -13.417 1.932 1.00 0.00 C ATOM 194 C ILE A 17 -3.671 -12.490 3.119 1.00 0.00 C ATOM 195 O ILE A 17 -3.759 -11.275 2.954 1.00 0.00 O ATOM 196 CB ILE A 17 -4.586 -14.314 1.569 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.401 -14.932 0.182 1.00 0.00 C ATOM 198 CG2 ILE A 17 -5.906 -13.550 1.685 1.00 0.00 C ATOM 199 CD1 ILE A 17 -4.558 -13.876 -0.914 1.00 0.00 C ATOM 0 H ILE A 17 -2.409 -15.108 2.674 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.232 -12.782 1.062 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.625 -15.135 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.414 -15.390 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.132 -15.727 0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.733 -14.210 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.034 -13.198 2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.893 -12.696 1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.422 -14.342 -1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.554 -13.438 -0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.810 -13.095 -0.777 1.00 0.00 H new ATOM 211 N SER A 18 -3.796 -13.100 4.289 1.00 0.00 N ATOM 212 CA SER A 18 -4.055 -12.345 5.503 1.00 0.00 C ATOM 213 C SER A 18 -3.149 -11.113 5.556 1.00 0.00 C ATOM 214 O SER A 18 -3.551 -10.064 6.057 1.00 0.00 O ATOM 215 CB SER A 18 -3.845 -13.211 6.746 1.00 0.00 C ATOM 216 OG SER A 18 -3.943 -12.453 7.948 1.00 0.00 O ATOM 0 H SER A 18 -3.723 -14.109 4.422 1.00 0.00 H new ATOM 0 HA SER A 18 -5.096 -12.023 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.586 -14.010 6.760 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.865 -13.686 6.696 1.00 0.00 H new ATOM 0 HG SER A 18 -3.804 -13.042 8.719 1.00 0.00 H new ATOM 222 N ARG A 19 -1.944 -11.281 5.031 1.00 0.00 N ATOM 223 CA ARG A 19 -0.978 -10.195 5.012 1.00 0.00 C ATOM 224 C ARG A 19 -1.514 -9.022 4.190 1.00 0.00 C ATOM 225 O ARG A 19 -1.631 -7.907 4.696 1.00 0.00 O ATOM 226 CB ARG A 19 0.356 -10.655 4.422 1.00 0.00 C ATOM 227 CG ARG A 19 1.316 -9.476 4.252 1.00 0.00 C ATOM 228 CD ARG A 19 2.354 -9.448 5.377 1.00 0.00 C ATOM 229 NE ARG A 19 3.613 -10.076 4.920 1.00 0.00 N ATOM 230 CZ ARG A 19 3.961 -11.342 5.186 1.00 0.00 C ATOM 231 NH1 ARG A 19 3.146 -12.123 5.908 1.00 0.00 N ATOM 232 NH2 ARG A 19 5.123 -11.828 4.730 1.00 0.00 N ATOM 0 H ARG A 19 -1.615 -12.152 4.616 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.816 -9.877 6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.806 -11.404 5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.186 -11.132 3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.820 -9.549 3.289 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.754 -8.542 4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.542 -8.419 5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.971 -9.976 6.250 1.00 0.00 H new ATOM 0 HE ARG A 19 4.257 -9.509 4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.261 -11.754 6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.411 -13.087 6.111 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.743 -11.234 4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.387 -12.792 4.933 1.00 0.00 H new ATOM 246 N LEU A 20 -1.825 -9.313 2.935 1.00 0.00 N ATOM 247 CA LEU A 20 -2.346 -8.296 2.038 1.00 0.00 C ATOM 248 C LEU A 20 -3.604 -7.678 2.650 1.00 0.00 C ATOM 249 O LEU A 20 -3.996 -6.570 2.286 1.00 0.00 O ATOM 250 CB LEU A 20 -2.565 -8.876 0.639 1.00 0.00 C ATOM 251 CG LEU A 20 -1.300 -9.162 -0.173 1.00 0.00 C ATOM 252 CD1 LEU A 20 -1.510 -10.348 -1.116 1.00 0.00 C ATOM 253 CD2 LEU A 20 -0.835 -7.911 -0.921 1.00 0.00 C ATOM 0 H LEU A 20 -1.726 -10.239 2.518 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.622 -7.491 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.128 -9.804 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.187 -8.183 0.073 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.505 -9.438 0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.596 -10.530 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.760 -11.235 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.324 -10.125 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.066 -8.141 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.620 -7.581 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.619 -7.118 -0.205 1.00 0.00 H new ATOM 265 N GLN A 21 -4.203 -8.420 3.570 1.00 0.00 N ATOM 266 CA GLN A 21 -5.409 -7.959 4.237 1.00 0.00 C ATOM 267 C GLN A 21 -5.049 -7.095 5.447 1.00 0.00 C ATOM 268 O GLN A 21 -5.894 -6.373 5.972 1.00 0.00 O ATOM 269 CB GLN A 21 -6.293 -9.137 4.647 1.00 0.00 C ATOM 270 CG GLN A 21 -7.320 -9.458 3.560 1.00 0.00 C ATOM 271 CD GLN A 21 -8.652 -9.895 4.174 1.00 0.00 C ATOM 272 OE1 GLN A 21 -9.265 -9.190 4.958 1.00 0.00 O ATOM 273 NE2 GLN A 21 -9.063 -11.096 3.775 1.00 0.00 N ATOM 0 H GLN A 21 -3.875 -9.338 3.869 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.978 -7.348 3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.673 -10.013 4.836 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.807 -8.903 5.580 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.476 -8.581 2.932 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.937 -10.248 2.915 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.501 -11.634 3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.940 -11.478 4.128 1.00 0.00 H new ATOM 282 N GLU A 22 -3.792 -7.199 5.855 1.00 0.00 N ATOM 283 CA GLU A 22 -3.310 -6.436 6.994 1.00 0.00 C ATOM 284 C GLU A 22 -2.557 -5.192 6.519 1.00 0.00 C ATOM 285 O GLU A 22 -2.326 -4.267 7.297 1.00 0.00 O ATOM 286 CB GLU A 22 -2.428 -7.299 7.898 1.00 0.00 C ATOM 287 CG GLU A 22 -3.256 -8.367 8.615 1.00 0.00 C ATOM 288 CD GLU A 22 -3.407 -8.037 10.102 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.384 -8.138 10.812 1.00 0.00 O ATOM 290 OE2 GLU A 22 -4.542 -7.690 10.493 1.00 0.00 O ATOM 0 H GLU A 22 -3.093 -7.800 5.417 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.170 -6.114 7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.649 -7.776 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.927 -6.668 8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.241 -8.440 8.153 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.778 -9.340 8.501 1.00 0.00 H new ATOM 297 N ILE A 23 -2.196 -5.208 5.244 1.00 0.00 N ATOM 298 CA ILE A 23 -1.474 -4.092 4.657 1.00 0.00 C ATOM 299 C ILE A 23 -2.461 -3.179 3.928 1.00 0.00 C ATOM 300 O ILE A 23 -2.381 -1.957 4.040 1.00 0.00 O ATOM 301 CB ILE A 23 -0.335 -4.599 3.770 1.00 0.00 C ATOM 302 CG1 ILE A 23 0.819 -5.142 4.616 1.00 0.00 C ATOM 303 CG2 ILE A 23 0.129 -3.511 2.799 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.651 -6.152 3.824 1.00 0.00 C ATOM 0 H ILE A 23 -2.390 -5.976 4.601 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.000 -3.493 5.435 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.712 -5.427 3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.454 -4.319 4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.424 -5.616 5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.939 -3.897 2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.704 -3.213 2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.483 -2.647 3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.464 -6.522 4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.018 -6.986 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.064 -5.668 2.939 1.00 0.00 H new ATOM 316 N GLN A 24 -3.370 -3.807 3.196 1.00 0.00 N ATOM 317 CA GLN A 24 -4.372 -3.066 2.449 1.00 0.00 C ATOM 318 C GLN A 24 -5.197 -2.189 3.393 1.00 0.00 C ATOM 319 O GLN A 24 -5.488 -1.036 3.078 1.00 0.00 O ATOM 320 CB GLN A 24 -5.273 -4.012 1.652 1.00 0.00 C ATOM 321 CG GLN A 24 -4.657 -4.338 0.290 1.00 0.00 C ATOM 322 CD GLN A 24 -5.305 -5.582 -0.321 1.00 0.00 C ATOM 323 OE1 GLN A 24 -4.760 -6.674 -0.296 1.00 0.00 O ATOM 324 NE2 GLN A 24 -6.496 -5.358 -0.869 1.00 0.00 N ATOM 0 H GLN A 24 -3.433 -4.821 3.104 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.861 -2.418 1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.428 -4.933 2.215 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.253 -3.555 1.512 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.784 -3.490 -0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.585 -4.499 0.401 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.895 -4.419 -0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.010 -6.125 -1.303 1.00 0.00 H new ATOM 333 N ARG A 25 -5.551 -2.768 4.530 1.00 0.00 N ATOM 334 CA ARG A 25 -6.336 -2.054 5.522 1.00 0.00 C ATOM 335 C ARG A 25 -5.549 -0.858 6.062 1.00 0.00 C ATOM 336 O ARG A 25 -6.136 0.136 6.486 1.00 0.00 O ATOM 337 CB ARG A 25 -6.721 -2.970 6.685 1.00 0.00 C ATOM 338 CG ARG A 25 -5.477 -3.551 7.360 1.00 0.00 C ATOM 339 CD ARG A 25 -5.839 -4.245 8.674 1.00 0.00 C ATOM 340 NE ARG A 25 -4.608 -4.632 9.399 1.00 0.00 N ATOM 341 CZ ARG A 25 -4.566 -4.923 10.706 1.00 0.00 C ATOM 342 NH1 ARG A 25 -5.686 -4.873 11.440 1.00 0.00 N ATOM 343 NH2 ARG A 25 -3.404 -5.263 11.280 1.00 0.00 N ATOM 0 H ARG A 25 -5.308 -3.725 4.787 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.246 -1.704 5.034 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.307 -2.411 7.414 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.353 -3.780 6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.994 -4.262 6.690 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.758 -2.755 7.551 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.441 -3.579 9.292 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.445 -5.128 8.473 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.737 -4.680 8.870 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.571 -4.613 11.004 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.654 -5.095 12.435 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.551 -5.300 10.722 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.372 -5.484 12.275 1.00 0.00 H new ATOM 357 N GLU A 26 -4.231 -0.995 6.030 1.00 0.00 N ATOM 358 CA GLU A 26 -3.357 0.061 6.512 1.00 0.00 C ATOM 359 C GLU A 26 -3.359 1.238 5.534 1.00 0.00 C ATOM 360 O GLU A 26 -3.742 2.349 5.896 1.00 0.00 O ATOM 361 CB GLU A 26 -1.937 -0.463 6.737 1.00 0.00 C ATOM 362 CG GLU A 26 -1.848 -1.264 8.038 1.00 0.00 C ATOM 363 CD GLU A 26 -1.109 -0.473 9.119 1.00 0.00 C ATOM 364 OE1 GLU A 26 -1.733 0.464 9.663 1.00 0.00 O ATOM 365 OE2 GLU A 26 0.063 -0.823 9.377 1.00 0.00 O ATOM 0 H GLU A 26 -3.748 -1.821 5.678 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.736 0.411 7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.640 -1.092 5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.238 0.373 6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.851 -1.513 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.332 -2.206 7.855 1.00 0.00 H new ATOM 372 N VAL A 27 -2.926 0.953 4.315 1.00 0.00 N ATOM 373 CA VAL A 27 -2.873 1.975 3.282 1.00 0.00 C ATOM 374 C VAL A 27 -4.247 2.635 3.152 1.00 0.00 C ATOM 375 O VAL A 27 -4.345 3.805 2.788 1.00 0.00 O ATOM 376 CB VAL A 27 -2.375 1.366 1.970 1.00 0.00 C ATOM 377 CG1 VAL A 27 -1.023 0.676 2.163 1.00 0.00 C ATOM 378 CG2 VAL A 27 -3.407 0.398 1.388 1.00 0.00 C ATOM 0 H VAL A 27 -2.609 0.030 4.019 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.163 2.756 3.553 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.237 2.178 1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.692 0.252 1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.290 1.404 2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.123 -0.120 2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.028 -0.021 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.592 -0.407 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.338 0.932 1.194 1.00 0.00 H new ATOM 388 N LYS A 28 -5.274 1.855 3.458 1.00 0.00 N ATOM 389 CA LYS A 28 -6.638 2.349 3.380 1.00 0.00 C ATOM 390 C LYS A 28 -6.917 3.256 4.580 1.00 0.00 C ATOM 391 O LYS A 28 -7.488 4.334 4.429 1.00 0.00 O ATOM 392 CB LYS A 28 -7.622 1.186 3.246 1.00 0.00 C ATOM 393 CG LYS A 28 -8.089 1.027 1.798 1.00 0.00 C ATOM 394 CD LYS A 28 -9.071 2.135 1.413 1.00 0.00 C ATOM 395 CE LYS A 28 -9.303 2.162 -0.099 1.00 0.00 C ATOM 396 NZ LYS A 28 -10.549 1.441 -0.444 1.00 0.00 N ATOM 0 H LYS A 28 -5.188 0.885 3.760 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.773 2.955 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.148 0.264 3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.483 1.357 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.228 1.051 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.564 0.054 1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.019 1.980 1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.684 3.099 1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.365 3.194 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.457 1.704 -0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.692 1.468 -1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.476 0.452 -0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.356 1.895 0.030 1.00 0.00 H new ATOM 410 N ALA A 29 -6.500 2.785 5.747 1.00 0.00 N ATOM 411 CA ALA A 29 -6.698 3.539 6.972 1.00 0.00 C ATOM 412 C ALA A 29 -5.836 4.803 6.933 1.00 0.00 C ATOM 413 O ALA A 29 -5.984 5.686 7.776 1.00 0.00 O ATOM 414 CB ALA A 29 -6.376 2.651 8.176 1.00 0.00 C ATOM 0 H ALA A 29 -6.026 1.890 5.869 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.738 3.852 7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.525 3.217 9.096 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.035 1.782 8.174 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.339 2.320 8.117 1.00 0.00 H new ATOM 420 N ILE A 30 -4.955 4.849 5.945 1.00 0.00 N ATOM 421 CA ILE A 30 -4.069 5.990 5.784 1.00 0.00 C ATOM 422 C ILE A 30 -4.299 6.619 4.409 1.00 0.00 C ATOM 423 O ILE A 30 -3.680 7.627 4.072 1.00 0.00 O ATOM 424 CB ILE A 30 -2.617 5.581 6.038 1.00 0.00 C ATOM 425 CG1 ILE A 30 -2.087 4.705 4.901 1.00 0.00 C ATOM 426 CG2 ILE A 30 -2.469 4.902 7.401 1.00 0.00 C ATOM 427 CD1 ILE A 30 -0.993 5.430 4.114 1.00 0.00 C ATOM 0 H ILE A 30 -4.835 4.114 5.247 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.295 6.755 6.527 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.007 6.484 6.060 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.691 3.775 5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.905 4.438 4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.427 4.621 7.556 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.780 5.591 8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.094 4.009 7.433 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.634 4.785 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.399 6.348 3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.166 5.674 4.781 1.00 0.00 H new ATOM 439 N GLU A 31 -5.192 5.998 3.651 1.00 0.00 N ATOM 440 CA GLU A 31 -5.511 6.485 2.320 1.00 0.00 C ATOM 441 C GLU A 31 -5.947 7.950 2.381 1.00 0.00 C ATOM 442 O GLU A 31 -5.515 8.764 1.566 1.00 0.00 O ATOM 443 CB GLU A 31 -6.589 5.620 1.664 1.00 0.00 C ATOM 444 CG GLU A 31 -7.285 6.376 0.531 1.00 0.00 C ATOM 445 CD GLU A 31 -8.446 5.560 -0.042 1.00 0.00 C ATOM 446 OE1 GLU A 31 -9.471 5.458 0.666 1.00 0.00 O ATOM 447 OE2 GLU A 31 -8.281 5.056 -1.174 1.00 0.00 O ATOM 0 H GLU A 31 -5.704 5.162 3.934 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.613 6.418 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.140 4.707 1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.324 5.320 2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.656 7.332 0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.567 6.597 -0.259 1.00 0.00 H new ATOM 454 N PRO A 32 -6.819 8.250 3.381 1.00 0.00 N ATOM 455 CA PRO A 32 -7.317 9.603 3.559 1.00 0.00 C ATOM 456 C PRO A 32 -6.247 10.505 4.176 1.00 0.00 C ATOM 457 O PRO A 32 -6.325 11.728 4.072 1.00 0.00 O ATOM 458 CB PRO A 32 -8.549 9.456 4.437 1.00 0.00 C ATOM 459 CG PRO A 32 -8.429 8.093 5.099 1.00 0.00 C ATOM 460 CD PRO A 32 -7.352 7.312 4.364 1.00 0.00 C ATOM 0 HA PRO A 32 -7.572 10.085 2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.594 10.250 5.183 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.461 9.523 3.844 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.170 8.201 6.152 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.381 7.563 5.057 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.575 6.970 5.047 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.765 6.426 3.882 1.00 0.00 H new ATOM 468 N GLN A 33 -5.271 9.866 4.805 1.00 0.00 N ATOM 469 CA GLN A 33 -4.186 10.596 5.438 1.00 0.00 C ATOM 470 C GLN A 33 -3.281 11.228 4.379 1.00 0.00 C ATOM 471 O GLN A 33 -2.531 12.157 4.672 1.00 0.00 O ATOM 472 CB GLN A 33 -3.385 9.685 6.371 1.00 0.00 C ATOM 473 CG GLN A 33 -4.187 9.348 7.630 1.00 0.00 C ATOM 474 CD GLN A 33 -3.561 8.169 8.379 1.00 0.00 C ATOM 475 OE1 GLN A 33 -4.238 7.271 8.852 1.00 0.00 O ATOM 476 NE2 GLN A 33 -2.235 8.222 8.460 1.00 0.00 N ATOM 0 H GLN A 33 -5.209 8.851 4.890 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.616 11.395 6.043 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.119 8.766 5.848 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.452 10.174 6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.227 10.219 8.284 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.214 9.106 7.357 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.729 9.003 8.042 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.723 7.482 8.940 1.00 0.00 H new ATOM 485 N VAL A 34 -3.381 10.698 3.169 1.00 0.00 N ATOM 486 CA VAL A 34 -2.581 11.198 2.064 1.00 0.00 C ATOM 487 C VAL A 34 -3.441 12.114 1.190 1.00 0.00 C ATOM 488 O VAL A 34 -3.002 13.192 0.794 1.00 0.00 O ATOM 489 CB VAL A 34 -1.973 10.029 1.286 1.00 0.00 C ATOM 490 CG1 VAL A 34 -1.252 10.522 0.030 1.00 0.00 C ATOM 491 CG2 VAL A 34 -1.031 9.212 2.173 1.00 0.00 C ATOM 0 H VAL A 34 -4.004 9.927 2.929 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.747 11.793 2.436 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.787 9.377 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.829 9.671 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.960 11.041 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.452 11.206 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.612 8.387 1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.224 9.851 2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.585 8.815 3.024 1.00 0.00 H new ATOM 501 N VAL A 35 -4.652 11.650 0.916 1.00 0.00 N ATOM 502 CA VAL A 35 -5.578 12.414 0.096 1.00 0.00 C ATOM 503 C VAL A 35 -5.903 13.734 0.798 1.00 0.00 C ATOM 504 O VAL A 35 -6.029 14.771 0.149 1.00 0.00 O ATOM 505 CB VAL A 35 -6.821 11.576 -0.207 1.00 0.00 C ATOM 506 CG1 VAL A 35 -7.809 12.356 -1.077 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.440 10.248 -0.866 1.00 0.00 C ATOM 0 H VAL A 35 -5.013 10.755 1.247 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.126 12.659 -0.865 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.313 11.351 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.684 11.738 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.117 13.262 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.331 12.625 -2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.342 9.671 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.914 10.443 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.792 9.682 -0.196 1.00 0.00 H new ATOM 517 N GLY A 36 -6.030 13.652 2.114 1.00 0.00 N ATOM 518 CA GLY A 36 -6.338 14.828 2.911 1.00 0.00 C ATOM 519 C GLY A 36 -5.086 15.361 3.609 1.00 0.00 C ATOM 520 O GLY A 36 -5.179 15.997 4.658 1.00 0.00 O ATOM 0 H GLY A 36 -5.925 12.790 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.761 15.604 2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.095 14.580 3.655 1.00 0.00 H new ATOM 524 N PHE A 37 -3.943 15.082 2.999 1.00 0.00 N ATOM 525 CA PHE A 37 -2.673 15.526 3.549 1.00 0.00 C ATOM 526 C PHE A 37 -2.423 17.001 3.230 1.00 0.00 C ATOM 527 O PHE A 37 -2.963 17.530 2.260 1.00 0.00 O ATOM 528 CB PHE A 37 -1.581 14.681 2.890 1.00 0.00 C ATOM 529 CG PHE A 37 -0.160 15.175 3.168 1.00 0.00 C ATOM 530 CD1 PHE A 37 0.242 15.406 4.447 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.702 15.384 2.137 1.00 0.00 C ATOM 532 CE1 PHE A 37 1.561 15.864 4.705 1.00 0.00 C ATOM 533 CE2 PHE A 37 2.021 15.842 2.395 1.00 0.00 C ATOM 534 CZ PHE A 37 2.422 16.072 3.674 1.00 0.00 C ATOM 0 H PHE A 37 -3.870 14.554 2.129 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.677 15.413 4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.672 13.652 3.239 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.746 14.668 1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.442 15.241 5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.383 15.201 1.121 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.880 16.047 5.720 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.705 16.008 1.576 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.425 16.420 3.871 1.00 0.00 H new ATOM 544 N SER A 38 -1.605 17.623 4.066 1.00 0.00 N ATOM 545 CA SER A 38 -1.277 19.027 3.885 1.00 0.00 C ATOM 546 C SER A 38 0.101 19.323 4.481 1.00 0.00 C ATOM 547 O SER A 38 0.235 19.483 5.693 1.00 0.00 O ATOM 548 CB SER A 38 -2.336 19.927 4.524 1.00 0.00 C ATOM 549 OG SER A 38 -3.066 20.668 3.549 1.00 0.00 O ATOM 0 H SER A 38 -1.160 17.181 4.870 1.00 0.00 H new ATOM 0 HA SER A 38 -1.257 19.239 2.816 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.026 19.317 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.855 20.616 5.218 1.00 0.00 H new ATOM 0 HG SER A 38 -3.733 21.229 3.997 1.00 0.00 H new ATOM 555 N GLY A 39 1.090 19.388 3.602 1.00 0.00 N ATOM 556 CA GLY A 39 2.452 19.662 4.026 1.00 0.00 C ATOM 557 C GLY A 39 3.450 19.332 2.914 1.00 0.00 C ATOM 558 O GLY A 39 3.251 18.380 2.160 1.00 0.00 O ATOM 0 H GLY A 39 0.975 19.255 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.546 20.712 4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.685 19.075 4.914 1.00 0.00 H new ATOM 562 N LEU A 40 4.501 20.136 2.847 1.00 0.00 N ATOM 563 CA LEU A 40 5.529 19.941 1.840 1.00 0.00 C ATOM 564 C LEU A 40 5.941 18.467 1.816 1.00 0.00 C ATOM 565 O LEU A 40 5.527 17.690 2.674 1.00 0.00 O ATOM 566 CB LEU A 40 6.697 20.901 2.074 1.00 0.00 C ATOM 567 CG LEU A 40 6.553 22.294 1.458 1.00 0.00 C ATOM 568 CD1 LEU A 40 6.870 22.267 -0.039 1.00 0.00 C ATOM 569 CD2 LEU A 40 5.168 22.878 1.739 1.00 0.00 C ATOM 0 H LEU A 40 4.662 20.924 3.474 1.00 0.00 H new ATOM 0 HA LEU A 40 5.142 20.181 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.839 21.014 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.603 20.442 1.679 1.00 0.00 H new ATOM 0 HG LEU A 40 7.282 22.953 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.760 23.270 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.894 21.923 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.182 21.589 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.093 23.868 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.405 22.227 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.017 22.955 2.816 1.00 0.00 H new ATOM 581 N SER A 41 6.750 18.128 0.824 1.00 0.00 N ATOM 582 CA SER A 41 7.222 16.762 0.676 1.00 0.00 C ATOM 583 C SER A 41 8.526 16.572 1.454 1.00 0.00 C ATOM 584 O SER A 41 9.473 15.972 0.947 1.00 0.00 O ATOM 585 CB SER A 41 7.426 16.405 -0.797 1.00 0.00 C ATOM 586 OG SER A 41 6.190 16.170 -1.466 1.00 0.00 O ATOM 0 H SER A 41 7.091 18.776 0.114 1.00 0.00 H new ATOM 0 HA SER A 41 6.463 16.093 1.081 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.960 17.214 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.053 15.516 -0.871 1.00 0.00 H new ATOM 0 HG SER A 41 5.735 15.406 -1.054 1.00 0.00 H new ATOM 592 N ASP A 42 8.533 17.094 2.671 1.00 0.00 N ATOM 593 CA ASP A 42 9.705 16.989 3.524 1.00 0.00 C ATOM 594 C ASP A 42 9.459 17.764 4.820 1.00 0.00 C ATOM 595 O ASP A 42 10.238 18.646 5.178 1.00 0.00 O ATOM 596 CB ASP A 42 10.937 17.589 2.842 1.00 0.00 C ATOM 597 CG ASP A 42 12.264 16.912 3.193 1.00 0.00 C ATOM 598 OD1 ASP A 42 12.319 15.670 3.065 1.00 0.00 O ATOM 599 OD2 ASP A 42 13.193 17.653 3.582 1.00 0.00 O ATOM 0 H ASP A 42 7.746 17.591 3.087 1.00 0.00 H new ATOM 0 HA ASP A 42 9.882 15.933 3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.796 17.540 1.762 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.003 18.644 3.108 1.00 0.00 H new ATOM 604 N ASP A 43 8.372 17.405 5.488 1.00 0.00 N ATOM 605 CA ASP A 43 8.013 18.055 6.737 1.00 0.00 C ATOM 606 C ASP A 43 7.787 16.992 7.814 1.00 0.00 C ATOM 607 O ASP A 43 7.793 15.797 7.522 1.00 0.00 O ATOM 608 CB ASP A 43 6.720 18.859 6.588 1.00 0.00 C ATOM 609 CG ASP A 43 6.552 20.006 7.586 1.00 0.00 C ATOM 610 OD1 ASP A 43 7.520 20.786 7.722 1.00 0.00 O ATOM 611 OD2 ASP A 43 5.461 20.077 8.191 1.00 0.00 O ATOM 0 H ASP A 43 7.729 16.673 5.188 1.00 0.00 H new ATOM 0 HA ASP A 43 8.826 18.727 7.013 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.678 19.267 5.578 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.874 18.180 6.692 1.00 0.00 H new ATOM 616 N LYS A 44 7.594 17.466 9.036 1.00 0.00 N ATOM 617 CA LYS A 44 7.367 16.571 10.158 1.00 0.00 C ATOM 618 C LYS A 44 5.956 15.987 10.062 1.00 0.00 C ATOM 619 O LYS A 44 5.129 16.204 10.946 1.00 0.00 O ATOM 620 CB LYS A 44 7.647 17.287 11.480 1.00 0.00 C ATOM 621 CG LYS A 44 8.089 16.295 12.559 1.00 0.00 C ATOM 622 CD LYS A 44 9.571 15.947 12.409 1.00 0.00 C ATOM 623 CE LYS A 44 9.748 14.541 11.831 1.00 0.00 C ATOM 624 NZ LYS A 44 11.046 13.967 12.252 1.00 0.00 N ATOM 0 H LYS A 44 7.590 18.458 9.274 1.00 0.00 H new ATOM 0 HA LYS A 44 8.063 15.733 10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.422 18.039 11.333 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.751 17.813 11.810 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.910 16.722 13.546 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.490 15.387 12.491 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.055 16.675 11.758 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.063 16.010 13.380 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.934 13.899 12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.696 14.580 10.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.150 13.013 11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.820 14.572 11.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.081 13.912 13.290 1.00 0.00 H new ATOM 638 N ASN A 45 5.724 15.258 8.980 1.00 0.00 N ATOM 639 CA ASN A 45 4.427 14.641 8.757 1.00 0.00 C ATOM 640 C ASN A 45 4.475 13.814 7.471 1.00 0.00 C ATOM 641 O ASN A 45 4.038 12.664 7.451 1.00 0.00 O ATOM 642 CB ASN A 45 3.334 15.700 8.597 1.00 0.00 C ATOM 643 CG ASN A 45 2.094 15.335 9.415 1.00 0.00 C ATOM 644 OD1 ASN A 45 2.158 14.623 10.404 1.00 0.00 O ATOM 645 ND2 ASN A 45 0.965 15.862 8.950 1.00 0.00 N ATOM 0 H ASN A 45 6.412 15.081 8.248 1.00 0.00 H new ATOM 0 HA ASN A 45 4.199 14.014 9.619 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.713 16.670 8.918 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.065 15.795 7.545 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.082 15.679 9.427 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.982 16.450 8.116 1.00 0.00 H new ATOM 652 N TYR A 46 5.010 14.431 6.427 1.00 0.00 N ATOM 653 CA TYR A 46 5.121 13.766 5.141 1.00 0.00 C ATOM 654 C TYR A 46 5.932 12.474 5.259 1.00 0.00 C ATOM 655 O TYR A 46 5.502 11.422 4.789 1.00 0.00 O ATOM 656 CB TYR A 46 5.866 14.740 4.225 1.00 0.00 C ATOM 657 CG TYR A 46 6.208 14.163 2.850 1.00 0.00 C ATOM 658 CD1 TYR A 46 5.283 14.225 1.827 1.00 0.00 C ATOM 659 CD2 TYR A 46 7.440 13.582 2.632 1.00 0.00 C ATOM 660 CE1 TYR A 46 5.604 13.683 0.532 1.00 0.00 C ATOM 661 CE2 TYR A 46 7.761 13.040 1.337 1.00 0.00 C ATOM 662 CZ TYR A 46 6.828 13.117 0.351 1.00 0.00 C ATOM 663 OH TYR A 46 7.131 12.604 -0.872 1.00 0.00 O ATOM 0 H TYR A 46 5.371 15.385 6.446 1.00 0.00 H new ATOM 0 HA TYR A 46 4.134 13.504 4.759 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.258 15.634 4.091 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.788 15.052 4.716 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.319 14.680 1.998 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.164 13.534 3.432 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.890 13.725 -0.277 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.722 12.582 1.153 1.00 0.00 H new ATOM 0 HH TYR A 46 7.163 11.626 -0.818 1.00 0.00 H new ATOM 673 N LYS A 47 7.091 12.596 5.889 1.00 0.00 N ATOM 674 CA LYS A 47 7.966 11.451 6.076 1.00 0.00 C ATOM 675 C LYS A 47 7.151 10.274 6.615 1.00 0.00 C ATOM 676 O LYS A 47 7.177 9.184 6.047 1.00 0.00 O ATOM 677 CB LYS A 47 9.160 11.827 6.956 1.00 0.00 C ATOM 678 CG LYS A 47 10.006 12.917 6.295 1.00 0.00 C ATOM 679 CD LYS A 47 10.525 12.458 4.931 1.00 0.00 C ATOM 680 CE LYS A 47 12.023 12.734 4.792 1.00 0.00 C ATOM 681 NZ LYS A 47 12.639 11.782 3.841 1.00 0.00 N ATOM 0 H LYS A 47 7.445 13.471 6.277 1.00 0.00 H new ATOM 0 HA LYS A 47 8.389 11.136 5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.806 12.175 7.926 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.774 10.945 7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.410 13.822 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.846 13.172 6.941 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.335 11.392 4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.982 12.974 4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.180 13.756 4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.506 12.649 5.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.656 11.983 3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.505 10.810 4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.189 11.883 2.909 1.00 0.00 H new ATOM 695 N ARG A 48 6.446 10.535 7.706 1.00 0.00 N ATOM 696 CA ARG A 48 5.625 9.510 8.329 1.00 0.00 C ATOM 697 C ARG A 48 4.699 8.870 7.293 1.00 0.00 C ATOM 698 O ARG A 48 4.779 7.668 7.044 1.00 0.00 O ATOM 699 CB ARG A 48 4.781 10.095 9.463 1.00 0.00 C ATOM 700 CG ARG A 48 4.507 9.044 10.541 1.00 0.00 C ATOM 701 CD ARG A 48 4.376 9.694 11.920 1.00 0.00 C ATOM 702 NE ARG A 48 5.615 10.431 12.252 1.00 0.00 N ATOM 703 CZ ARG A 48 5.782 11.156 13.367 1.00 0.00 C ATOM 704 NH1 ARG A 48 4.790 11.245 14.264 1.00 0.00 N ATOM 705 NH2 ARG A 48 6.941 11.792 13.586 1.00 0.00 N ATOM 0 H ARG A 48 6.426 11.441 8.174 1.00 0.00 H new ATOM 0 HA ARG A 48 6.294 8.754 8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.298 10.947 9.904 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.837 10.467 9.064 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.592 8.503 10.302 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.315 8.313 10.555 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.524 10.374 11.931 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.184 8.931 12.674 1.00 0.00 H new ATOM 0 HE ARG A 48 6.391 10.385 11.591 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.908 10.761 14.098 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.918 11.797 15.112 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.697 11.725 12.904 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.068 12.344 14.435 1.00 0.00 H new ATOM 719 N LEU A 49 3.843 9.701 6.716 1.00 0.00 N ATOM 720 CA LEU A 49 2.904 9.230 5.713 1.00 0.00 C ATOM 721 C LEU A 49 3.632 8.309 4.731 1.00 0.00 C ATOM 722 O LEU A 49 3.329 7.120 4.650 1.00 0.00 O ATOM 723 CB LEU A 49 2.200 10.411 5.042 1.00 0.00 C ATOM 724 CG LEU A 49 1.320 11.272 5.950 1.00 0.00 C ATOM 725 CD1 LEU A 49 0.597 12.355 5.147 1.00 0.00 C ATOM 726 CD2 LEU A 49 0.346 10.405 6.750 1.00 0.00 C ATOM 0 H LEU A 49 3.780 10.698 6.924 1.00 0.00 H new ATOM 0 HA LEU A 49 2.114 8.640 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.958 11.051 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.583 10.027 4.230 1.00 0.00 H new ATOM 0 HG LEU A 49 1.964 11.780 6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.022 12.953 5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.331 12.998 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.034 11.887 4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.268 11.041 7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.295 9.851 6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.907 9.704 7.369 1.00 0.00 H new ATOM 738 N GLU A 50 4.577 8.894 4.010 1.00 0.00 N ATOM 739 CA GLU A 50 5.350 8.141 3.038 1.00 0.00 C ATOM 740 C GLU A 50 5.927 6.878 3.681 1.00 0.00 C ATOM 741 O GLU A 50 5.871 5.798 3.095 1.00 0.00 O ATOM 742 CB GLU A 50 6.459 9.004 2.432 1.00 0.00 C ATOM 743 CG GLU A 50 7.281 8.207 1.417 1.00 0.00 C ATOM 744 CD GLU A 50 7.948 9.137 0.401 1.00 0.00 C ATOM 745 OE1 GLU A 50 7.257 9.498 -0.577 1.00 0.00 O ATOM 746 OE2 GLU A 50 9.132 9.466 0.625 1.00 0.00 O ATOM 0 H GLU A 50 4.825 9.881 4.080 1.00 0.00 H new ATOM 0 HA GLU A 50 4.685 7.841 2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.022 9.876 1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.111 9.373 3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.042 7.625 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.636 7.498 0.898 1.00 0.00 H new ATOM 753 N ARG A 51 6.468 7.057 4.877 1.00 0.00 N ATOM 754 CA ARG A 51 7.055 5.945 5.606 1.00 0.00 C ATOM 755 C ARG A 51 6.059 4.787 5.699 1.00 0.00 C ATOM 756 O ARG A 51 6.435 3.626 5.543 1.00 0.00 O ATOM 757 CB ARG A 51 7.468 6.368 7.017 1.00 0.00 C ATOM 758 CG ARG A 51 8.991 6.430 7.147 1.00 0.00 C ATOM 759 CD ARG A 51 9.446 7.815 7.613 1.00 0.00 C ATOM 760 NE ARG A 51 10.803 7.732 8.197 1.00 0.00 N ATOM 761 CZ ARG A 51 11.055 7.390 9.468 1.00 0.00 C ATOM 762 NH1 ARG A 51 10.043 7.097 10.295 1.00 0.00 N ATOM 763 NH2 ARG A 51 12.318 7.341 9.911 1.00 0.00 N ATOM 0 H ARG A 51 6.512 7.955 5.359 1.00 0.00 H new ATOM 0 HA ARG A 51 7.943 5.623 5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.040 7.343 7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.066 5.663 7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.330 5.674 7.856 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.451 6.196 6.187 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.445 8.509 6.773 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.747 8.207 8.351 1.00 0.00 H new ATOM 0 HE ARG A 51 11.597 7.949 7.594 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.081 7.134 9.957 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.234 6.837 11.263 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.088 7.564 9.281 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.509 7.081 10.878 1.00 0.00 H new ATOM 777 N ILE A 52 4.809 5.143 5.954 1.00 0.00 N ATOM 778 CA ILE A 52 3.756 4.148 6.070 1.00 0.00 C ATOM 779 C ILE A 52 3.633 3.386 4.749 1.00 0.00 C ATOM 780 O ILE A 52 3.798 2.167 4.714 1.00 0.00 O ATOM 781 CB ILE A 52 2.450 4.800 6.528 1.00 0.00 C ATOM 782 CG1 ILE A 52 2.650 5.571 7.835 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.330 3.764 6.640 1.00 0.00 C ATOM 784 CD1 ILE A 52 1.724 6.786 7.902 1.00 0.00 C ATOM 0 H ILE A 52 4.501 6.107 6.084 1.00 0.00 H new ATOM 0 HA ILE A 52 4.006 3.417 6.839 1.00 0.00 H new ATOM 0 HB ILE A 52 2.146 5.523 5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.455 4.914 8.682 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.688 5.895 7.915 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.413 4.254 6.967 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.166 3.299 5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.612 3.000 7.365 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.886 7.316 8.841 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.938 7.453 7.067 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.687 6.456 7.846 1.00 0.00 H new ATOM 796 N LEU A 53 3.344 4.135 3.695 1.00 0.00 N ATOM 797 CA LEU A 53 3.196 3.545 2.376 1.00 0.00 C ATOM 798 C LEU A 53 4.470 2.775 2.021 1.00 0.00 C ATOM 799 O LEU A 53 4.416 1.583 1.721 1.00 0.00 O ATOM 800 CB LEU A 53 2.819 4.615 1.350 1.00 0.00 C ATOM 801 CG LEU A 53 1.436 5.248 1.519 1.00 0.00 C ATOM 802 CD1 LEU A 53 1.238 6.402 0.534 1.00 0.00 C ATOM 803 CD2 LEU A 53 0.333 4.195 1.397 1.00 0.00 C ATOM 0 H LEU A 53 3.208 5.145 3.728 1.00 0.00 H new ATOM 0 HA LEU A 53 2.376 2.827 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.567 5.407 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.875 4.172 0.355 1.00 0.00 H new ATOM 0 HG LEU A 53 1.372 5.667 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.247 6.835 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.996 7.165 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.330 6.029 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.640 4.671 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.385 3.726 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.467 3.437 2.169 1.00 0.00 H new ATOM 815 N THR A 54 5.586 3.487 2.068 1.00 0.00 N ATOM 816 CA THR A 54 6.871 2.886 1.755 1.00 0.00 C ATOM 817 C THR A 54 7.098 1.637 2.610 1.00 0.00 C ATOM 818 O THR A 54 7.540 0.606 2.105 1.00 0.00 O ATOM 819 CB THR A 54 7.951 3.954 1.941 1.00 0.00 C ATOM 820 OG1 THR A 54 8.885 3.688 0.898 1.00 0.00 O ATOM 821 CG2 THR A 54 8.759 3.753 3.224 1.00 0.00 C ATOM 0 H THR A 54 5.627 4.475 2.318 1.00 0.00 H new ATOM 0 HA THR A 54 6.906 2.545 0.720 1.00 0.00 H new ATOM 0 HB THR A 54 7.487 4.940 1.955 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.619 4.336 0.943 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.511 4.538 3.307 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.092 3.797 4.085 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.251 2.781 3.196 1.00 0.00 H new ATOM 829 N LYS A 55 6.786 1.771 3.891 1.00 0.00 N ATOM 830 CA LYS A 55 6.950 0.667 4.821 1.00 0.00 C ATOM 831 C LYS A 55 5.999 -0.467 4.432 1.00 0.00 C ATOM 832 O LYS A 55 6.425 -1.608 4.262 1.00 0.00 O ATOM 833 CB LYS A 55 6.774 1.150 6.262 1.00 0.00 C ATOM 834 CG LYS A 55 6.861 -0.018 7.246 1.00 0.00 C ATOM 835 CD LYS A 55 8.292 -0.551 7.341 1.00 0.00 C ATOM 836 CE LYS A 55 8.551 -1.186 8.708 1.00 0.00 C ATOM 837 NZ LYS A 55 9.369 -0.285 9.551 1.00 0.00 N ATOM 0 H LYS A 55 6.420 2.628 4.307 1.00 0.00 H new ATOM 0 HA LYS A 55 7.963 0.268 4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.541 1.887 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.810 1.648 6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.524 0.306 8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.192 -0.817 6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.462 -1.288 6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.999 0.262 7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.603 -1.396 9.203 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.063 -2.140 8.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.536 -0.731 10.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.281 -0.105 9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.866 0.615 9.687 1.00 0.00 H new ATOM 851 N GLN A 56 4.729 -0.113 4.303 1.00 0.00 N ATOM 852 CA GLN A 56 3.714 -1.087 3.937 1.00 0.00 C ATOM 853 C GLN A 56 4.093 -1.782 2.628 1.00 0.00 C ATOM 854 O GLN A 56 4.060 -3.008 2.540 1.00 0.00 O ATOM 855 CB GLN A 56 2.337 -0.430 3.831 1.00 0.00 C ATOM 856 CG GLN A 56 1.796 -0.063 5.215 1.00 0.00 C ATOM 857 CD GLN A 56 1.782 -1.282 6.140 1.00 0.00 C ATOM 858 OE1 GLN A 56 2.666 -1.485 6.955 1.00 0.00 O ATOM 859 NE2 GLN A 56 0.732 -2.080 5.967 1.00 0.00 N ATOM 0 H GLN A 56 4.379 0.835 4.445 1.00 0.00 H new ATOM 0 HA GLN A 56 3.661 -1.840 4.723 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.404 0.466 3.214 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.644 -1.108 3.334 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.411 0.723 5.653 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.787 0.338 5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.027 -1.851 5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.631 -2.921 6.535 1.00 0.00 H new ATOM 868 N LEU A 57 4.444 -0.968 1.643 1.00 0.00 N ATOM 869 CA LEU A 57 4.828 -1.489 0.342 1.00 0.00 C ATOM 870 C LEU A 57 5.930 -2.535 0.522 1.00 0.00 C ATOM 871 O LEU A 57 5.802 -3.664 0.051 1.00 0.00 O ATOM 872 CB LEU A 57 5.212 -0.347 -0.600 1.00 0.00 C ATOM 873 CG LEU A 57 5.867 -0.758 -1.920 1.00 0.00 C ATOM 874 CD1 LEU A 57 7.335 -1.133 -1.711 1.00 0.00 C ATOM 875 CD2 LEU A 57 5.079 -1.882 -2.596 1.00 0.00 C ATOM 0 H LEU A 57 4.470 0.049 1.720 1.00 0.00 H new ATOM 0 HA LEU A 57 3.985 -1.992 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.314 0.228 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.893 0.320 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 57 5.847 0.100 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.776 -1.421 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.875 -0.277 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.401 -1.968 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.566 -2.155 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.045 -2.750 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.064 -1.542 -2.801 1.00 0.00 H new ATOM 887 N PHE A 58 6.988 -2.122 1.205 1.00 0.00 N ATOM 888 CA PHE A 58 8.111 -3.009 1.452 1.00 0.00 C ATOM 889 C PHE A 58 7.638 -4.347 2.024 1.00 0.00 C ATOM 890 O PHE A 58 8.301 -5.369 1.853 1.00 0.00 O ATOM 891 CB PHE A 58 9.009 -2.318 2.480 1.00 0.00 C ATOM 892 CG PHE A 58 10.501 -2.600 2.293 1.00 0.00 C ATOM 893 CD1 PHE A 58 10.976 -3.867 2.428 1.00 0.00 C ATOM 894 CD2 PHE A 58 11.352 -1.583 1.990 1.00 0.00 C ATOM 895 CE1 PHE A 58 12.361 -4.128 2.254 1.00 0.00 C ATOM 896 CE2 PHE A 58 12.737 -1.844 1.816 1.00 0.00 C ATOM 897 CZ PHE A 58 13.212 -3.111 1.952 1.00 0.00 C ATOM 0 H PHE A 58 7.091 -1.185 1.595 1.00 0.00 H new ATOM 0 HA PHE A 58 8.639 -3.209 0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.844 -1.242 2.426 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.712 -2.637 3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.300 -4.675 2.667 1.00 0.00 H new ATOM 0 HD2 PHE A 58 10.974 -0.577 1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.739 -5.134 2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.413 -1.037 1.576 1.00 0.00 H new ATOM 0 HZ PHE A 58 14.265 -3.310 1.820 1.00 0.00 H new ATOM 907 N GLU A 59 6.495 -4.297 2.693 1.00 0.00 N ATOM 908 CA GLU A 59 5.925 -5.493 3.291 1.00 0.00 C ATOM 909 C GLU A 59 5.202 -6.325 2.230 1.00 0.00 C ATOM 910 O GLU A 59 5.139 -7.549 2.332 1.00 0.00 O ATOM 911 CB GLU A 59 4.983 -5.134 4.442 1.00 0.00 C ATOM 912 CG GLU A 59 5.714 -5.185 5.785 1.00 0.00 C ATOM 913 CD GLU A 59 5.343 -6.449 6.563 1.00 0.00 C ATOM 914 OE1 GLU A 59 5.866 -7.520 6.187 1.00 0.00 O ATOM 915 OE2 GLU A 59 4.546 -6.316 7.516 1.00 0.00 O ATOM 0 H GLU A 59 5.948 -3.447 2.834 1.00 0.00 H new ATOM 0 HA GLU A 59 6.737 -6.092 3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.574 -4.136 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.140 -5.825 4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.791 -5.159 5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.461 -4.304 6.374 1.00 0.00 H new ATOM 922 N ILE A 60 4.676 -5.627 1.234 1.00 0.00 N ATOM 923 CA ILE A 60 3.960 -6.286 0.155 1.00 0.00 C ATOM 924 C ILE A 60 4.931 -7.171 -0.629 1.00 0.00 C ATOM 925 O ILE A 60 4.612 -8.314 -0.952 1.00 0.00 O ATOM 926 CB ILE A 60 3.229 -5.257 -0.710 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.340 -4.353 0.146 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.442 -5.941 -1.830 1.00 0.00 C ATOM 929 CD1 ILE A 60 1.709 -3.244 -0.700 1.00 0.00 C ATOM 0 H ILE A 60 4.731 -4.612 1.152 1.00 0.00 H new ATOM 0 HA ILE A 60 3.185 -6.939 0.555 1.00 0.00 H new ATOM 0 HB ILE A 60 3.975 -4.619 -1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.556 -4.947 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.930 -3.912 0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.932 -5.187 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.126 -6.506 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.706 -6.618 -1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.082 -2.616 -0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.495 -2.637 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.100 -3.689 -1.487 1.00 0.00 H new ATOM 941 N ASP A 61 6.096 -6.608 -0.914 1.00 0.00 N ATOM 942 CA ASP A 61 7.115 -7.332 -1.654 1.00 0.00 C ATOM 943 C ASP A 61 7.736 -8.399 -0.750 1.00 0.00 C ATOM 944 O ASP A 61 8.564 -9.190 -1.197 1.00 0.00 O ATOM 945 CB ASP A 61 8.233 -6.393 -2.114 1.00 0.00 C ATOM 946 CG ASP A 61 8.895 -6.776 -3.439 1.00 0.00 C ATOM 947 OD1 ASP A 61 9.112 -7.991 -3.635 1.00 0.00 O ATOM 948 OD2 ASP A 61 9.170 -5.845 -4.226 1.00 0.00 O ATOM 0 H ASP A 61 6.357 -5.659 -0.646 1.00 0.00 H new ATOM 0 HA ASP A 61 6.641 -7.784 -2.526 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.826 -5.386 -2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.999 -6.358 -1.339 1.00 0.00 H new ATOM 953 N SER A 62 7.311 -8.385 0.505 1.00 0.00 N ATOM 954 CA SER A 62 7.814 -9.341 1.476 1.00 0.00 C ATOM 955 C SER A 62 7.021 -10.646 1.385 1.00 0.00 C ATOM 956 O SER A 62 7.596 -11.714 1.177 1.00 0.00 O ATOM 957 CB SER A 62 7.743 -8.775 2.895 1.00 0.00 C ATOM 958 OG SER A 62 9.031 -8.681 3.498 1.00 0.00 O ATOM 0 H SER A 62 6.624 -7.726 0.871 1.00 0.00 H new ATOM 0 HA SER A 62 8.860 -9.542 1.246 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.282 -7.788 2.869 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.102 -9.410 3.507 1.00 0.00 H new ATOM 0 HG SER A 62 8.943 -8.314 4.402 1.00 0.00 H new ATOM 964 N VAL A 63 5.712 -10.518 1.544 1.00 0.00 N ATOM 965 CA VAL A 63 4.834 -11.674 1.483 1.00 0.00 C ATOM 966 C VAL A 63 5.019 -12.379 0.137 1.00 0.00 C ATOM 967 O VAL A 63 4.969 -11.742 -0.913 1.00 0.00 O ATOM 968 CB VAL A 63 3.387 -11.247 1.739 1.00 0.00 C ATOM 969 CG1 VAL A 63 2.730 -10.739 0.454 1.00 0.00 C ATOM 970 CG2 VAL A 63 2.578 -12.390 2.354 1.00 0.00 C ATOM 0 H VAL A 63 5.238 -9.631 1.715 1.00 0.00 H new ATOM 0 HA VAL A 63 5.091 -12.390 2.264 1.00 0.00 H new ATOM 0 HB VAL A 63 3.402 -10.425 2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.702 -10.442 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.286 -9.881 0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.733 -11.532 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.554 -12.059 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.575 -13.241 1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.028 -12.685 3.302 1.00 0.00 H new ATOM 980 N ASP A 64 5.230 -13.685 0.214 1.00 0.00 N ATOM 981 CA ASP A 64 5.424 -14.483 -0.984 1.00 0.00 C ATOM 982 C ASP A 64 4.060 -14.883 -1.551 1.00 0.00 C ATOM 983 O ASP A 64 3.026 -14.591 -0.953 1.00 0.00 O ATOM 984 CB ASP A 64 6.200 -15.764 -0.674 1.00 0.00 C ATOM 985 CG ASP A 64 6.790 -16.475 -1.893 1.00 0.00 C ATOM 986 OD1 ASP A 64 7.147 -15.756 -2.851 1.00 0.00 O ATOM 987 OD2 ASP A 64 6.870 -17.722 -1.840 1.00 0.00 O ATOM 0 H ASP A 64 5.271 -14.210 1.088 1.00 0.00 H new ATOM 0 HA ASP A 64 5.988 -13.884 -1.700 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.010 -15.522 0.014 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.537 -16.456 -0.155 1.00 0.00 H new ATOM 992 N THR A 65 4.103 -15.544 -2.699 1.00 0.00 N ATOM 993 CA THR A 65 2.883 -15.987 -3.353 1.00 0.00 C ATOM 994 C THR A 65 2.992 -17.462 -3.742 1.00 0.00 C ATOM 995 O THR A 65 2.056 -18.233 -3.535 1.00 0.00 O ATOM 996 CB THR A 65 2.623 -15.062 -4.544 1.00 0.00 C ATOM 997 OG1 THR A 65 3.486 -15.559 -5.564 1.00 0.00 O ATOM 998 CG2 THR A 65 3.120 -13.636 -4.298 1.00 0.00 C ATOM 0 H THR A 65 4.963 -15.783 -3.193 1.00 0.00 H new ATOM 0 HA THR A 65 2.028 -15.923 -2.680 1.00 0.00 H new ATOM 0 HB THR A 65 1.555 -15.042 -4.761 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.628 -14.864 -6.240 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.911 -13.022 -5.174 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.610 -13.217 -3.431 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.194 -13.652 -4.114 1.00 0.00 H new ATOM 1006 N GLU A 66 4.142 -17.812 -4.299 1.00 0.00 N ATOM 1007 CA GLU A 66 4.386 -19.181 -4.718 1.00 0.00 C ATOM 1008 C GLU A 66 3.702 -19.455 -6.059 1.00 0.00 C ATOM 1009 O GLU A 66 3.056 -20.487 -6.231 1.00 0.00 O ATOM 1010 CB GLU A 66 3.917 -20.173 -3.652 1.00 0.00 C ATOM 1011 CG GLU A 66 4.986 -21.234 -3.382 1.00 0.00 C ATOM 1012 CD GLU A 66 4.347 -22.574 -3.010 1.00 0.00 C ATOM 1013 OE1 GLU A 66 3.358 -22.539 -2.246 1.00 0.00 O ATOM 1014 OE2 GLU A 66 4.862 -23.602 -3.499 1.00 0.00 O ATOM 0 H GLU A 66 4.916 -17.170 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 66 5.460 -19.315 -4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.688 -19.640 -2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.996 -20.655 -3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.612 -21.358 -4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.638 -20.901 -2.574 1.00 0.00 H new ATOM 1021 N GLY A 67 3.869 -18.512 -6.975 1.00 0.00 N ATOM 1022 CA GLY A 67 3.276 -18.639 -8.296 1.00 0.00 C ATOM 1023 C GLY A 67 1.893 -19.288 -8.216 1.00 0.00 C ATOM 1024 O GLY A 67 1.684 -20.378 -8.747 1.00 0.00 O ATOM 0 H GLY A 67 4.406 -17.657 -6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.194 -17.655 -8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.926 -19.237 -8.934 1.00 0.00 H new ATOM 1028 N LYS A 68 0.985 -18.592 -7.549 1.00 0.00 N ATOM 1029 CA LYS A 68 -0.372 -19.087 -7.394 1.00 0.00 C ATOM 1030 C LYS A 68 -1.331 -18.192 -8.182 1.00 0.00 C ATOM 1031 O LYS A 68 -2.338 -18.666 -8.706 1.00 0.00 O ATOM 1032 CB LYS A 68 -0.729 -19.215 -5.911 1.00 0.00 C ATOM 1033 CG LYS A 68 0.094 -20.318 -5.243 1.00 0.00 C ATOM 1034 CD LYS A 68 -0.420 -20.606 -3.831 1.00 0.00 C ATOM 1035 CE LYS A 68 0.390 -21.724 -3.170 1.00 0.00 C ATOM 1036 NZ LYS A 68 -0.334 -23.011 -3.259 1.00 0.00 N ATOM 0 H LYS A 68 1.162 -17.689 -7.109 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.460 -20.091 -7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.549 -18.266 -5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.791 -19.435 -5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.047 -21.226 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.141 -20.019 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.359 -19.701 -3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.471 -20.890 -3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.362 -21.813 -3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.577 -21.477 -2.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.230 -23.758 -2.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.251 -22.928 -2.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.490 -23.253 -4.258 1.00 0.00 H new ATOM 1050 N GLY A 69 -0.984 -16.915 -8.240 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.802 -15.949 -8.955 1.00 0.00 C ATOM 1052 C GLY A 69 -2.701 -15.172 -7.992 1.00 0.00 C ATOM 1053 O GLY A 69 -2.549 -13.962 -7.834 1.00 0.00 O ATOM 0 H GLY A 69 -0.148 -16.526 -7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.160 -15.256 -9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.415 -16.463 -9.695 1.00 0.00 H new ATOM 1057 N ASP A 70 -3.619 -15.900 -7.372 1.00 0.00 N ATOM 1058 CA ASP A 70 -4.543 -15.294 -6.429 1.00 0.00 C ATOM 1059 C ASP A 70 -3.798 -14.259 -5.585 1.00 0.00 C ATOM 1060 O ASP A 70 -4.229 -13.111 -5.480 1.00 0.00 O ATOM 1061 CB ASP A 70 -5.130 -16.343 -5.482 1.00 0.00 C ATOM 1062 CG ASP A 70 -5.807 -17.529 -6.170 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -6.824 -17.284 -6.854 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -5.293 -18.656 -5.996 1.00 0.00 O ATOM 0 H ASP A 70 -3.742 -16.904 -7.505 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.349 -14.830 -6.997 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.332 -16.720 -4.843 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.857 -15.857 -4.831 1.00 0.00 H new ATOM 1069 N ILE A 71 -2.692 -14.701 -5.004 1.00 0.00 N ATOM 1070 CA ILE A 71 -1.883 -13.826 -4.173 1.00 0.00 C ATOM 1071 C ILE A 71 -1.096 -12.864 -5.066 1.00 0.00 C ATOM 1072 O ILE A 71 -1.194 -11.648 -4.911 1.00 0.00 O ATOM 1073 CB ILE A 71 -1.002 -14.648 -3.229 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -1.851 -15.565 -2.346 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -0.089 -13.741 -2.402 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -1.027 -16.746 -1.829 1.00 0.00 C ATOM 0 H ILE A 71 -2.337 -15.653 -5.092 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.519 -13.217 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.359 -15.288 -3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.249 -14.998 -1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.705 -15.934 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.526 -14.350 -1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.554 -13.167 -3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.696 -13.059 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.654 -17.382 -1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.651 -17.324 -2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.188 -16.374 -1.241 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.335 -13.446 -5.981 1.00 0.00 N ATOM 1089 CA GLN A 72 0.468 -12.656 -6.899 1.00 0.00 C ATOM 1090 C GLN A 72 -0.336 -11.458 -7.411 1.00 0.00 C ATOM 1091 O GLN A 72 0.101 -10.315 -7.289 1.00 0.00 O ATOM 1092 CB GLN A 72 0.976 -13.512 -8.060 1.00 0.00 C ATOM 1093 CG GLN A 72 2.492 -13.378 -8.218 1.00 0.00 C ATOM 1094 CD GLN A 72 2.845 -12.604 -9.490 1.00 0.00 C ATOM 1095 OE1 GLN A 72 2.315 -11.540 -9.767 1.00 0.00 O ATOM 1096 NE2 GLN A 72 3.765 -13.196 -10.245 1.00 0.00 N ATOM 0 H GLN A 72 -0.257 -14.455 -6.106 1.00 0.00 H new ATOM 0 HA GLN A 72 1.338 -12.282 -6.360 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.716 -14.556 -7.888 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.482 -13.209 -8.983 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.908 -12.867 -7.350 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.946 -14.368 -8.253 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.168 -14.087 -9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.068 -12.760 -11.116 1.00 0.00 H new ATOM 1105 N GLN A 73 -1.496 -11.762 -7.973 1.00 0.00 N ATOM 1106 CA GLN A 73 -2.365 -10.726 -8.504 1.00 0.00 C ATOM 1107 C GLN A 73 -2.631 -9.660 -7.439 1.00 0.00 C ATOM 1108 O GLN A 73 -2.641 -8.467 -7.739 1.00 0.00 O ATOM 1109 CB GLN A 73 -3.675 -11.321 -9.024 1.00 0.00 C ATOM 1110 CG GLN A 73 -3.862 -11.018 -10.512 1.00 0.00 C ATOM 1111 CD GLN A 73 -4.416 -12.237 -11.253 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -4.610 -13.302 -10.692 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -4.657 -12.021 -12.543 1.00 0.00 N ATOM 0 H GLN A 73 -1.855 -12.712 -8.072 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.861 -10.253 -9.346 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.677 -12.399 -8.866 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.513 -10.914 -8.458 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.542 -10.174 -10.633 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.908 -10.724 -10.950 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.472 -11.104 -12.950 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.027 -12.772 -13.125 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.841 -10.128 -6.218 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.107 -9.230 -5.107 1.00 0.00 C ATOM 1124 C ALA A 74 -1.853 -8.403 -4.814 1.00 0.00 C ATOM 1125 O ALA A 74 -1.847 -7.189 -5.008 1.00 0.00 O ATOM 1126 CB ALA A 74 -3.568 -10.040 -3.894 1.00 0.00 C ATOM 0 H ALA A 74 -2.832 -11.118 -5.973 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.909 -8.536 -5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.767 -9.366 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.478 -10.586 -4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.788 -10.746 -3.610 1.00 0.00 H new ATOM 1132 N ARG A 75 -0.822 -9.095 -4.352 1.00 0.00 N ATOM 1133 CA ARG A 75 0.435 -8.440 -4.030 1.00 0.00 C ATOM 1134 C ARG A 75 0.748 -7.356 -5.063 1.00 0.00 C ATOM 1135 O ARG A 75 0.912 -6.188 -4.712 1.00 0.00 O ATOM 1136 CB ARG A 75 1.586 -9.447 -3.992 1.00 0.00 C ATOM 1137 CG ARG A 75 2.732 -8.936 -3.116 1.00 0.00 C ATOM 1138 CD ARG A 75 3.652 -10.083 -2.693 1.00 0.00 C ATOM 1139 NE ARG A 75 5.017 -9.857 -3.221 1.00 0.00 N ATOM 1140 CZ ARG A 75 5.383 -10.101 -4.486 1.00 0.00 C ATOM 1141 NH1 ARG A 75 4.488 -10.578 -5.363 1.00 0.00 N ATOM 1142 NH2 ARG A 75 6.643 -9.866 -4.876 1.00 0.00 N ATOM 0 H ARG A 75 -0.831 -10.102 -4.193 1.00 0.00 H new ATOM 0 HA ARG A 75 0.331 -7.987 -3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.227 -10.401 -3.607 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.949 -9.628 -5.004 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.306 -8.187 -3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.327 -8.445 -2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.681 -10.155 -1.606 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.261 -11.030 -3.065 1.00 0.00 H new ATOM 0 HE ARG A 75 5.723 -9.493 -2.581 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.528 -10.755 -5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.767 -10.764 -6.326 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.324 -9.501 -4.209 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.922 -10.052 -5.839 1.00 0.00 H new ATOM 1156 N LYS A 76 0.822 -7.781 -6.316 1.00 0.00 N ATOM 1157 CA LYS A 76 1.112 -6.860 -7.402 1.00 0.00 C ATOM 1158 C LYS A 76 0.063 -5.747 -7.416 1.00 0.00 C ATOM 1159 O LYS A 76 0.396 -4.578 -7.603 1.00 0.00 O ATOM 1160 CB LYS A 76 1.226 -7.615 -8.728 1.00 0.00 C ATOM 1161 CG LYS A 76 -0.156 -7.886 -9.325 1.00 0.00 C ATOM 1162 CD LYS A 76 -0.041 -8.416 -10.756 1.00 0.00 C ATOM 1163 CE LYS A 76 0.754 -9.723 -10.793 1.00 0.00 C ATOM 1164 NZ LYS A 76 0.546 -10.419 -12.083 1.00 0.00 N ATOM 0 H LYS A 76 0.686 -8.750 -6.603 1.00 0.00 H new ATOM 0 HA LYS A 76 2.080 -6.383 -7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.822 -7.034 -9.431 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.749 -8.558 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.687 -8.610 -8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.745 -6.969 -9.319 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.037 -8.580 -11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.446 -7.672 -11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.815 -9.515 -10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.444 -10.368 -9.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.092 -11.304 -12.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.464 -10.635 -12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.864 -9.808 -12.862 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.183 -6.150 -7.217 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.284 -5.201 -7.205 1.00 0.00 C ATOM 1180 C ARG A 77 -2.110 -4.202 -6.059 1.00 0.00 C ATOM 1181 O ARG A 77 -2.286 -2.999 -6.247 1.00 0.00 O ATOM 1182 CB ARG A 77 -3.627 -5.917 -7.049 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.157 -6.390 -8.404 1.00 0.00 C ATOM 1184 CD ARG A 77 -4.830 -5.242 -9.159 1.00 0.00 C ATOM 1185 NE ARG A 77 -5.145 -5.663 -10.543 1.00 0.00 N ATOM 1186 CZ ARG A 77 -5.390 -4.813 -11.549 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -5.358 -3.491 -11.333 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -5.667 -5.285 -12.773 1.00 0.00 N ATOM 0 H ARG A 77 -1.455 -7.121 -7.063 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.276 -4.672 -8.158 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.513 -6.771 -6.381 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.350 -5.245 -6.586 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.337 -6.791 -9.000 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.870 -7.201 -8.257 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.743 -4.943 -8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.174 -4.372 -9.175 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.178 -6.663 -10.743 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.147 -3.131 -10.402 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.545 -2.844 -12.099 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.691 -6.291 -12.938 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.854 -4.638 -13.539 1.00 0.00 H new ATOM 1202 N ALA A 78 -1.767 -4.737 -4.896 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.568 -3.907 -3.720 1.00 0.00 C ATOM 1204 C ALA A 78 -0.416 -2.934 -3.978 1.00 0.00 C ATOM 1205 O ALA A 78 -0.492 -1.764 -3.603 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.317 -4.799 -2.503 1.00 0.00 C ATOM 0 H ALA A 78 -1.622 -5.735 -4.743 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.459 -3.315 -3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.168 -4.177 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.176 -5.451 -2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.428 -5.406 -2.674 1.00 0.00 H new ATOM 1212 N ALA A 79 0.623 -3.452 -4.615 1.00 0.00 N ATOM 1213 CA ALA A 79 1.789 -2.643 -4.927 1.00 0.00 C ATOM 1214 C ALA A 79 1.353 -1.416 -5.730 1.00 0.00 C ATOM 1215 O ALA A 79 1.898 -0.327 -5.553 1.00 0.00 O ATOM 1216 CB ALA A 79 2.816 -3.494 -5.675 1.00 0.00 C ATOM 0 H ALA A 79 0.682 -4.422 -4.924 1.00 0.00 H new ATOM 0 HA ALA A 79 2.264 -2.287 -4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.691 -2.887 -5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.115 -4.336 -5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.375 -3.867 -6.600 1.00 0.00 H new ATOM 1222 N GLN A 80 0.374 -1.632 -6.597 1.00 0.00 N ATOM 1223 CA GLN A 80 -0.141 -0.558 -7.428 1.00 0.00 C ATOM 1224 C GLN A 80 -0.984 0.405 -6.589 1.00 0.00 C ATOM 1225 O GLN A 80 -0.943 1.616 -6.797 1.00 0.00 O ATOM 1226 CB GLN A 80 -0.949 -1.112 -8.603 1.00 0.00 C ATOM 1227 CG GLN A 80 -0.052 -1.894 -9.565 1.00 0.00 C ATOM 1228 CD GLN A 80 -0.862 -2.458 -10.734 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -2.081 -2.493 -10.718 1.00 0.00 O ATOM 1230 NE2 GLN A 80 -0.118 -2.897 -11.745 1.00 0.00 N ATOM 0 H GLN A 80 -0.076 -2.536 -6.742 1.00 0.00 H new ATOM 0 HA GLN A 80 0.705 -0.007 -7.839 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.741 -1.761 -8.230 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -1.432 -0.293 -9.135 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.735 -1.243 -9.944 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.438 -2.708 -9.031 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.899 -2.838 -11.693 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.564 -3.293 -12.572 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.730 -0.171 -5.657 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.582 0.620 -4.785 1.00 0.00 C ATOM 1241 C GLU A 81 -1.730 1.493 -3.861 1.00 0.00 C ATOM 1242 O GLU A 81 -1.851 2.717 -3.872 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.524 -0.275 -3.979 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.029 0.446 -2.727 1.00 0.00 C ATOM 1245 CD GLU A 81 -5.511 0.153 -2.486 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.919 -0.991 -2.780 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -6.203 1.081 -2.012 1.00 0.00 O ATOM 0 H GLU A 81 -1.762 -1.176 -5.487 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.197 1.273 -5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.370 -0.570 -4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.005 -1.190 -3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.447 0.130 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.880 1.520 -2.837 1.00 0.00 H new ATOM 1254 N THR A 82 -0.888 0.829 -3.082 1.00 0.00 N ATOM 1255 CA THR A 82 -0.017 1.529 -2.154 1.00 0.00 C ATOM 1256 C THR A 82 0.818 2.577 -2.892 1.00 0.00 C ATOM 1257 O THR A 82 0.982 3.697 -2.410 1.00 0.00 O ATOM 1258 CB THR A 82 0.828 0.485 -1.421 1.00 0.00 C ATOM 1259 OG1 THR A 82 0.007 0.077 -0.330 1.00 0.00 O ATOM 1260 CG2 THR A 82 2.061 1.095 -0.751 1.00 0.00 C ATOM 0 H THR A 82 -0.791 -0.186 -3.075 1.00 0.00 H new ATOM 0 HA THR A 82 -0.593 2.082 -1.412 1.00 0.00 H new ATOM 0 HB THR A 82 1.141 -0.287 -2.124 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.935 0.112 -0.598 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.625 0.312 -0.245 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.690 1.565 -1.506 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.747 1.843 -0.023 1.00 0.00 H new ATOM 1268 N GLU A 83 1.323 2.176 -4.049 1.00 0.00 N ATOM 1269 CA GLU A 83 2.137 3.067 -4.859 1.00 0.00 C ATOM 1270 C GLU A 83 1.292 4.231 -5.380 1.00 0.00 C ATOM 1271 O GLU A 83 1.827 5.277 -5.744 1.00 0.00 O ATOM 1272 CB GLU A 83 2.797 2.309 -6.013 1.00 0.00 C ATOM 1273 CG GLU A 83 3.875 1.355 -5.496 1.00 0.00 C ATOM 1274 CD GLU A 83 5.160 2.113 -5.155 1.00 0.00 C ATOM 1275 OE1 GLU A 83 5.553 2.964 -5.981 1.00 0.00 O ATOM 1276 OE2 GLU A 83 5.720 1.823 -4.075 1.00 0.00 O ATOM 0 H GLU A 83 1.185 1.246 -4.445 1.00 0.00 H new ATOM 0 HA GLU A 83 2.931 3.472 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.042 1.747 -6.563 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.239 3.018 -6.713 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.510 0.834 -4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.085 0.596 -6.249 1.00 0.00 H new ATOM 1283 N ARG A 84 -0.015 4.010 -5.399 1.00 0.00 N ATOM 1284 CA ARG A 84 -0.939 5.028 -5.869 1.00 0.00 C ATOM 1285 C ARG A 84 -0.989 6.196 -4.883 1.00 0.00 C ATOM 1286 O ARG A 84 -0.865 7.354 -5.279 1.00 0.00 O ATOM 1287 CB ARG A 84 -2.347 4.455 -6.043 1.00 0.00 C ATOM 1288 CG ARG A 84 -3.094 5.170 -7.171 1.00 0.00 C ATOM 1289 CD ARG A 84 -4.180 4.271 -7.766 1.00 0.00 C ATOM 1290 NE ARG A 84 -5.517 4.742 -7.340 1.00 0.00 N ATOM 1291 CZ ARG A 84 -6.064 4.470 -6.148 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -5.393 3.729 -5.256 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -7.283 4.939 -5.848 1.00 0.00 N ATOM 0 H ARG A 84 -0.455 3.141 -5.097 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.580 5.380 -6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.285 3.389 -6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.903 4.558 -5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.544 6.087 -6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.390 5.461 -7.951 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.113 4.277 -8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.028 3.241 -7.443 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.055 5.309 -7.995 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.465 3.372 -5.485 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.810 3.522 -4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.794 5.503 -6.527 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.700 4.732 -4.940 1.00 0.00 H new ATOM 1307 N LEU A 85 -1.173 5.852 -3.616 1.00 0.00 N ATOM 1308 CA LEU A 85 -1.241 6.857 -2.570 1.00 0.00 C ATOM 1309 C LEU A 85 0.059 7.663 -2.557 1.00 0.00 C ATOM 1310 O LEU A 85 0.033 8.892 -2.585 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.577 6.209 -1.225 1.00 0.00 C ATOM 1312 CG LEU A 85 -3.065 6.060 -0.905 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -3.317 4.833 -0.027 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -3.622 7.339 -0.277 1.00 0.00 C ATOM 0 H LEU A 85 -1.277 4.891 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.050 7.560 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.119 5.220 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.113 6.799 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.601 5.901 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.383 4.750 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.981 3.937 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.767 4.936 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.682 7.206 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.086 7.554 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.496 8.170 -0.971 1.00 0.00 H new ATOM 1326 N LEU A 86 1.167 6.937 -2.514 1.00 0.00 N ATOM 1327 CA LEU A 86 2.476 7.569 -2.497 1.00 0.00 C ATOM 1328 C LEU A 86 2.503 8.703 -3.524 1.00 0.00 C ATOM 1329 O LEU A 86 3.063 9.767 -3.265 1.00 0.00 O ATOM 1330 CB LEU A 86 3.577 6.527 -2.702 1.00 0.00 C ATOM 1331 CG LEU A 86 4.423 6.195 -1.472 1.00 0.00 C ATOM 1332 CD1 LEU A 86 4.917 4.747 -1.520 1.00 0.00 C ATOM 1333 CD2 LEU A 86 5.576 7.189 -1.315 1.00 0.00 C ATOM 0 H LEU A 86 1.185 5.917 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 86 2.671 8.016 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.116 5.607 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.241 6.880 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 86 3.792 6.291 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.516 4.537 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.062 4.072 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.525 4.600 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.162 6.930 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.213 7.149 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.175 8.196 -1.202 1.00 0.00 H new ATOM 1345 N LYS A 87 1.891 8.437 -4.669 1.00 0.00 N ATOM 1346 CA LYS A 87 1.838 9.421 -5.736 1.00 0.00 C ATOM 1347 C LYS A 87 1.018 10.627 -5.272 1.00 0.00 C ATOM 1348 O LYS A 87 1.413 11.771 -5.489 1.00 0.00 O ATOM 1349 CB LYS A 87 1.320 8.785 -7.027 1.00 0.00 C ATOM 1350 CG LYS A 87 2.344 7.807 -7.606 1.00 0.00 C ATOM 1351 CD LYS A 87 2.691 8.170 -9.052 1.00 0.00 C ATOM 1352 CE LYS A 87 3.449 7.030 -9.735 1.00 0.00 C ATOM 1353 NZ LYS A 87 3.523 7.259 -11.196 1.00 0.00 N ATOM 0 H LYS A 87 1.427 7.553 -4.881 1.00 0.00 H new ATOM 0 HA LYS A 87 2.839 9.786 -5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.384 8.262 -6.829 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.102 9.564 -7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.248 7.819 -6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.946 6.793 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.778 8.388 -9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.297 9.076 -9.068 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.455 6.955 -9.321 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.950 6.082 -9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.041 6.476 -11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.561 7.308 -11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.019 8.154 -11.382 1.00 0.00 H new ATOM 1367 N GLU A 88 -0.108 10.328 -4.641 1.00 0.00 N ATOM 1368 CA GLU A 88 -0.987 11.373 -4.144 1.00 0.00 C ATOM 1369 C GLU A 88 -0.246 12.255 -3.137 1.00 0.00 C ATOM 1370 O GLU A 88 -0.315 13.481 -3.211 1.00 0.00 O ATOM 1371 CB GLU A 88 -2.252 10.777 -3.525 1.00 0.00 C ATOM 1372 CG GLU A 88 -3.451 10.940 -4.461 1.00 0.00 C ATOM 1373 CD GLU A 88 -3.935 12.391 -4.484 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -3.204 13.225 -5.061 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -5.026 12.634 -3.924 1.00 0.00 O ATOM 0 H GLU A 88 -0.432 9.377 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.293 11.995 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.093 9.720 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.460 11.266 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.175 10.629 -5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.262 10.288 -4.136 1.00 0.00 H new ATOM 1382 N LEU A 89 0.444 11.597 -2.218 1.00 0.00 N ATOM 1383 CA LEU A 89 1.197 12.306 -1.197 1.00 0.00 C ATOM 1384 C LEU A 89 1.988 13.442 -1.848 1.00 0.00 C ATOM 1385 O LEU A 89 1.748 14.614 -1.564 1.00 0.00 O ATOM 1386 CB LEU A 89 2.064 11.332 -0.397 1.00 0.00 C ATOM 1387 CG LEU A 89 2.762 11.911 0.835 1.00 0.00 C ATOM 1388 CD1 LEU A 89 1.772 12.106 1.985 1.00 0.00 C ATOM 1389 CD2 LEU A 89 3.955 11.046 1.247 1.00 0.00 C ATOM 0 H LEU A 89 0.498 10.580 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 89 0.521 12.762 -0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.439 10.498 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.825 10.923 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 89 3.152 12.895 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.294 12.519 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.985 12.793 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.331 11.146 2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.433 11.480 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.610 10.039 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.673 11.002 0.428 1.00 0.00 H new ATOM 1401 N GLU A 90 2.916 13.054 -2.711 1.00 0.00 N ATOM 1402 CA GLU A 90 3.744 14.025 -3.406 1.00 0.00 C ATOM 1403 C GLU A 90 2.911 15.245 -3.803 1.00 0.00 C ATOM 1404 O GLU A 90 3.192 16.361 -3.368 1.00 0.00 O ATOM 1405 CB GLU A 90 4.416 13.398 -4.629 1.00 0.00 C ATOM 1406 CG GLU A 90 5.672 12.622 -4.227 1.00 0.00 C ATOM 1407 CD GLU A 90 6.924 13.488 -4.383 1.00 0.00 C ATOM 1408 OE1 GLU A 90 6.849 14.671 -3.988 1.00 0.00 O ATOM 1409 OE2 GLU A 90 7.928 12.946 -4.894 1.00 0.00 O ATOM 0 H GLU A 90 3.113 12.081 -2.945 1.00 0.00 H new ATOM 0 HA GLU A 90 4.532 14.353 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.716 12.729 -5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.679 14.178 -5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.583 12.288 -3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.765 11.728 -4.844 1.00 0.00 H new ATOM 1416 N GLN A 91 1.903 14.992 -4.625 1.00 0.00 N ATOM 1417 CA GLN A 91 1.028 16.056 -5.086 1.00 0.00 C ATOM 1418 C GLN A 91 0.358 16.745 -3.895 1.00 0.00 C ATOM 1419 O GLN A 91 0.596 17.925 -3.642 1.00 0.00 O ATOM 1420 CB GLN A 91 -0.016 15.520 -6.068 1.00 0.00 C ATOM 1421 CG GLN A 91 0.520 15.536 -7.500 1.00 0.00 C ATOM 1422 CD GLN A 91 -0.625 15.574 -8.514 1.00 0.00 C ATOM 1423 OE1 GLN A 91 -1.717 16.044 -8.238 1.00 0.00 O ATOM 1424 NE2 GLN A 91 -0.316 15.056 -9.699 1.00 0.00 N ATOM 0 H GLN A 91 1.673 14.065 -4.984 1.00 0.00 H new ATOM 0 HA GLN A 91 1.632 16.793 -5.615 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.293 14.503 -5.791 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.921 16.124 -6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.164 16.404 -7.641 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.134 14.652 -7.672 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.618 14.679 -9.863 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -1.012 15.035 -10.444 1.00 0.00 H new ATOM 1433 N ASN A 92 -0.466 15.979 -3.195 1.00 0.00 N ATOM 1434 CA ASN A 92 -1.172 16.501 -2.038 1.00 0.00 C ATOM 1435 C ASN A 92 -0.234 17.411 -1.242 1.00 0.00 C ATOM 1436 O ASN A 92 -0.633 18.489 -0.803 1.00 0.00 O ATOM 1437 CB ASN A 92 -1.629 15.370 -1.115 1.00 0.00 C ATOM 1438 CG ASN A 92 -3.145 15.181 -1.189 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -3.916 15.881 -0.553 1.00 0.00 O ATOM 1440 ND2 ASN A 92 -3.529 14.197 -1.998 1.00 0.00 N ATOM 0 H ASN A 92 -0.660 15.000 -3.407 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.044 17.050 -2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.129 14.443 -1.395 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.336 15.592 -0.089 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.521 13.991 -2.115 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.831 13.649 -2.501 1.00 0.00 H new ATOM 1447 N ALA A 93 0.995 16.943 -1.079 1.00 0.00 N ATOM 1448 CA ALA A 93 1.993 17.701 -0.343 1.00 0.00 C ATOM 1449 C ALA A 93 1.862 19.184 -0.694 1.00 0.00 C ATOM 1450 O ALA A 93 1.320 19.965 0.087 1.00 0.00 O ATOM 1451 CB ALA A 93 3.385 17.149 -0.654 1.00 0.00 C ATOM 0 H ALA A 93 1.322 16.049 -1.444 1.00 0.00 H new ATOM 0 HA ALA A 93 1.835 17.601 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.134 17.717 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.435 16.101 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.580 17.235 -1.723 1.00 0.00 H new ATOM 1457 N SER A 94 2.366 19.528 -1.870 1.00 0.00 N ATOM 1458 CA SER A 94 2.312 20.904 -2.334 1.00 0.00 C ATOM 1459 C SER A 94 3.017 21.028 -3.687 1.00 0.00 C ATOM 1460 O SER A 94 2.598 21.809 -4.539 1.00 0.00 O ATOM 1461 CB SER A 94 2.946 21.854 -1.316 1.00 0.00 C ATOM 1462 OG SER A 94 2.265 23.104 -1.257 1.00 0.00 O ATOM 0 H SER A 94 2.814 18.878 -2.516 1.00 0.00 H new ATOM 0 HA SER A 94 1.265 21.185 -2.450 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.936 21.389 -0.330 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.991 22.022 -1.578 1.00 0.00 H new ATOM 0 HG SER A 94 2.699 23.682 -0.595 1.00 0.00 H new ATOM 1468 N GLY A 95 4.075 20.245 -3.841 1.00 0.00 N ATOM 1469 CA GLY A 95 4.841 20.258 -5.075 1.00 0.00 C ATOM 1470 C GLY A 95 4.552 19.010 -5.913 1.00 0.00 C ATOM 1471 O GLY A 95 4.047 18.015 -5.396 1.00 0.00 O ATOM 0 H GLY A 95 4.419 19.598 -3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.596 21.151 -5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.905 20.308 -4.846 1.00 0.00 H new ATOM 1475 N PRO A 96 4.895 19.107 -7.225 1.00 0.00 N ATOM 1476 CA PRO A 96 4.678 17.999 -8.139 1.00 0.00 C ATOM 1477 C PRO A 96 5.711 16.893 -7.916 1.00 0.00 C ATOM 1478 O PRO A 96 6.728 17.112 -7.259 1.00 0.00 O ATOM 1479 CB PRO A 96 4.756 18.613 -9.528 1.00 0.00 C ATOM 1480 CG PRO A 96 5.471 19.943 -9.356 1.00 0.00 C ATOM 1481 CD PRO A 96 5.496 20.270 -7.871 1.00 0.00 C ATOM 0 HA PRO A 96 3.715 17.511 -7.987 1.00 0.00 H new ATOM 0 HB2 PRO A 96 5.300 17.963 -10.213 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.761 18.756 -9.948 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.485 19.885 -9.751 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.957 20.728 -9.911 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.514 20.436 -7.519 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.932 21.178 -7.656 1.00 0.00 H new ATOM 1489 N SER A 97 5.415 15.729 -8.474 1.00 0.00 N ATOM 1490 CA SER A 97 6.306 14.588 -8.344 1.00 0.00 C ATOM 1491 C SER A 97 7.351 14.610 -9.461 1.00 0.00 C ATOM 1492 O SER A 97 7.070 15.063 -10.570 1.00 0.00 O ATOM 1493 CB SER A 97 5.524 13.273 -8.374 1.00 0.00 C ATOM 1494 OG SER A 97 6.371 12.154 -8.623 1.00 0.00 O ATOM 0 H SER A 97 4.570 15.551 -9.018 1.00 0.00 H new ATOM 0 HA SER A 97 6.812 14.657 -7.381 1.00 0.00 H new ATOM 0 HB2 SER A 97 5.011 13.135 -7.422 1.00 0.00 H new ATOM 0 HB3 SER A 97 4.756 13.325 -9.146 1.00 0.00 H new ATOM 0 HG SER A 97 5.835 11.334 -8.633 1.00 0.00 H new ATOM 1500 N SER A 98 8.534 14.115 -9.131 1.00 0.00 N ATOM 1501 CA SER A 98 9.623 14.072 -10.092 1.00 0.00 C ATOM 1502 C SER A 98 10.424 12.781 -9.918 1.00 0.00 C ATOM 1503 O SER A 98 10.381 12.157 -8.859 1.00 0.00 O ATOM 1504 CB SER A 98 10.538 15.289 -9.943 1.00 0.00 C ATOM 1505 OG SER A 98 10.673 16.009 -11.165 1.00 0.00 O ATOM 0 H SER A 98 8.763 13.740 -8.211 1.00 0.00 H new ATOM 0 HA SER A 98 9.195 14.094 -11.094 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.138 15.951 -9.175 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.521 14.964 -9.604 1.00 0.00 H new ATOM 0 HG SER A 98 11.263 16.779 -11.027 1.00 0.00 H new ATOM 1511 N GLY A 99 11.137 12.417 -10.974 1.00 0.00 N ATOM 1512 CA GLY A 99 11.947 11.211 -10.952 1.00 0.00 C ATOM 1513 C GLY A 99 12.933 11.191 -12.122 1.00 0.00 C ATOM 1514 O GLY A 99 13.583 10.177 -12.373 1.00 0.00 O ATOM 0 H GLY A 99 11.170 12.937 -11.851 1.00 0.00 H new ATOM 0 HA2 GLY A 99 12.493 11.153 -10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 99 11.301 10.334 -11.001 1.00 0.00 H new TER 1518 GLY A 99