USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 920 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: B 102 THR OG1 : rot 128:sc= 1.25 USER MOD Set 1.2: B 105 SER OG : rot 180:sc= 1.09 USER MOD Set 1.3: B 117 HIS : no HD1:sc= -0.0766 K(o=2.3,f=-0.013!) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0854 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.32) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 5 THR OG1 : rot -1:sc= 0.84 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.16 X(o=-1.2,f=-0.67) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 170:sc= -0.0549 USER MOD Single : A 28 SER OG : rot 180:sc= -0.212 USER MOD Single : B 31 MET CE :methyl 165:sc= -0.0563 (180deg=-0.393) USER MOD Single : B 34 SER OG : rot 180:sc= 0.00777 USER MOD Single : B 35 ASN : amide:sc= -0.0424 X(o=-0.042,f=0) USER MOD Single : B 38 GLN : amide:sc= -0.857 K(o=-0.86,f=-5.1!) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 HIS : no HD1:sc= -2! K(o=-2!,f=0.65) USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 TYR OH : rot 34:sc= -0.698 USER MOD Single : B 52 LYS NZ :NH3+ -167:sc= -0.0174 (180deg=-0.173) USER MOD Single : B 53 ASN : amide:sc= -0.0598 X(o=-0.06,f=-0.053) USER MOD Single : B 54 SER OG : rot -170:sc=-0.00757 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 66 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.012) USER MOD Single : B 68 ASN : amide:sc= -0.0182 K(o=-0.018,f=-2.3!) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 TYR OH : rot 180:sc= 0 USER MOD Single : B 71 THR OG1 : rot 180:sc= 0 USER MOD Single : B 73 LYS NZ :NH3+ -167:sc= -0.0135 (180deg=-0.162) USER MOD Single : B 76 LYS NZ :NH3+ -164:sc= -0.0501 (180deg=-0.269) USER MOD Single : B 81 TYR OH : rot 180:sc= 0.686 USER MOD Single : B 84 GLN : amide:sc= 0.52 K(o=0.52,f=-0.014) USER MOD Single : B 87 SER OG : rot 72:sc= -1.11 USER MOD Single : B 89 GLN : amide:sc= -3.37! C(o=-3.4!,f=-7.6!) USER MOD Single : B 90 GLN : amide:sc= -0.519 K(o=-0.52,f=0) USER MOD Single : B 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 93 HIS : no HE2:sc= 1.04 K(o=1,f=-5.5!) USER MOD Single : B 94 GLN : amide:sc= -0.0779 K(o=-0.078,f=-0.74) USER MOD Single : B 97 THR OG1 : rot -159:sc= 1.28 USER MOD Single : B 103 THR OG1 : rot 100:sc= 1.06 USER MOD Single : B 104 THR OG1 : rot 140:sc= -0.902 USER MOD Single : B 106 THR OG1 : rot -44:sc= 0.477 USER MOD Single : B 107 SER OG : rot 180:sc= 0 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 SER OG : rot 180:sc= 0.149 USER MOD Single : B 113 SER OG : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : B 115 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-0.76) USER MOD Single : B 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 118 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.011) USER MOD Single : B 119 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.092) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.741 17.278 11.329 1.00 0.00 N ATOM 2 CA GLY A 1 9.018 18.289 10.282 1.00 0.00 C ATOM 3 C GLY A 1 8.212 19.551 10.490 1.00 0.00 C ATOM 4 O GLY A 1 7.295 19.575 11.312 1.00 0.00 O ATOM 0 H1 GLY A 1 9.560 17.204 11.966 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.903 17.564 11.874 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.565 16.355 10.883 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.081 18.532 10.284 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.789 17.869 9.302 1.00 0.00 H new ATOM 10 N SER A 2 8.548 20.597 9.748 1.00 0.00 N ATOM 11 CA SER A 2 7.871 21.877 9.881 1.00 0.00 C ATOM 12 C SER A 2 6.484 21.820 9.252 1.00 0.00 C ATOM 13 O SER A 2 5.556 22.494 9.699 1.00 0.00 O ATOM 14 CB SER A 2 8.702 22.974 9.222 1.00 0.00 C ATOM 15 OG SER A 2 10.062 22.880 9.616 1.00 0.00 O ATOM 0 H SER A 2 9.288 20.583 9.046 1.00 0.00 H new ATOM 0 HA SER A 2 7.758 22.102 10.941 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.626 22.892 8.138 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.306 23.952 9.497 1.00 0.00 H new ATOM 0 HG SER A 2 10.578 23.591 9.182 1.00 0.00 H new ATOM 21 N GLN A 3 6.347 21.004 8.215 1.00 0.00 N ATOM 22 CA GLN A 3 5.067 20.838 7.547 1.00 0.00 C ATOM 23 C GLN A 3 4.125 20.017 8.413 1.00 0.00 C ATOM 24 O GLN A 3 4.551 19.103 9.121 1.00 0.00 O ATOM 25 CB GLN A 3 5.250 20.175 6.181 1.00 0.00 C ATOM 26 CG GLN A 3 6.078 21.000 5.211 1.00 0.00 C ATOM 27 CD GLN A 3 5.496 22.381 4.985 1.00 0.00 C ATOM 28 OE1 GLN A 3 5.828 23.331 5.695 1.00 0.00 O ATOM 29 NE2 GLN A 3 4.621 22.505 4.001 1.00 0.00 N ATOM 0 H GLN A 3 7.106 20.449 7.820 1.00 0.00 H new ATOM 0 HA GLN A 3 4.630 21.824 7.391 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.727 19.204 6.318 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.270 19.989 5.742 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.094 21.095 5.594 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.145 20.476 4.257 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.372 21.694 3.435 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.195 23.412 3.808 1.00 0.00 H new ATOM 38 N THR A 4 2.849 20.353 8.360 1.00 0.00 N ATOM 39 CA THR A 4 1.852 19.681 9.167 1.00 0.00 C ATOM 40 C THR A 4 0.541 19.579 8.395 1.00 0.00 C ATOM 41 O THR A 4 0.421 20.146 7.306 1.00 0.00 O ATOM 42 CB THR A 4 1.630 20.433 10.502 1.00 0.00 C ATOM 43 OG1 THR A 4 0.712 19.717 11.340 1.00 0.00 O ATOM 44 CG2 THR A 4 1.107 21.843 10.255 1.00 0.00 C ATOM 0 H THR A 4 2.479 21.092 7.762 1.00 0.00 H new ATOM 0 HA THR A 4 2.210 18.677 9.396 1.00 0.00 H new ATOM 0 HB THR A 4 2.594 20.501 11.007 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.586 20.206 12.180 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.960 22.349 11.209 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.829 22.399 9.657 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.158 21.791 9.722 1.00 0.00 H new ATOM 52 N THR A 5 -0.412 18.836 8.960 1.00 0.00 N ATOM 53 CA THR A 5 -1.755 18.648 8.394 1.00 0.00 C ATOM 54 C THR A 5 -1.719 18.035 6.993 1.00 0.00 C ATOM 55 O THR A 5 -0.646 17.768 6.443 1.00 0.00 O ATOM 56 CB THR A 5 -2.579 19.963 8.374 1.00 0.00 C ATOM 57 OG1 THR A 5 -1.975 20.941 7.518 1.00 0.00 O ATOM 58 CG2 THR A 5 -2.713 20.535 9.777 1.00 0.00 C ATOM 0 H THR A 5 -0.273 18.338 9.839 1.00 0.00 H new ATOM 0 HA THR A 5 -2.253 17.944 9.060 1.00 0.00 H new ATOM 0 HB THR A 5 -3.569 19.721 7.987 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.151 20.575 7.134 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.294 21.457 9.740 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.219 19.813 10.418 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.722 20.746 10.180 1.00 0.00 H new ATOM 66 N ALA A 6 -2.908 17.792 6.440 1.00 0.00 N ATOM 67 CA ALA A 6 -3.059 17.217 5.106 1.00 0.00 C ATOM 68 C ALA A 6 -2.336 15.878 4.990 1.00 0.00 C ATOM 69 O ALA A 6 -1.201 15.814 4.515 1.00 0.00 O ATOM 70 CB ALA A 6 -2.567 18.190 4.041 1.00 0.00 C ATOM 0 H ALA A 6 -3.793 17.989 6.906 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.121 17.034 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.688 17.742 3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.146 19.112 4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.514 18.413 4.211 1.00 0.00 H new ATOM 76 N PRO A 7 -2.983 14.789 5.432 1.00 0.00 N ATOM 77 CA PRO A 7 -2.403 13.446 5.374 1.00 0.00 C ATOM 78 C PRO A 7 -2.238 12.961 3.939 1.00 0.00 C ATOM 79 O PRO A 7 -3.149 12.372 3.364 1.00 0.00 O ATOM 80 CB PRO A 7 -3.419 12.566 6.118 1.00 0.00 C ATOM 81 CG PRO A 7 -4.318 13.514 6.836 1.00 0.00 C ATOM 82 CD PRO A 7 -4.329 14.774 6.022 1.00 0.00 C ATOM 0 HA PRO A 7 -1.406 13.418 5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.981 11.943 5.423 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.919 11.894 6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.323 13.102 6.931 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.956 13.706 7.846 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.106 14.756 5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.510 15.654 6.640 1.00 0.00 H new ATOM 90 N ASP A 8 -1.078 13.232 3.358 1.00 0.00 N ATOM 91 CA ASP A 8 -0.787 12.800 1.997 1.00 0.00 C ATOM 92 C ASP A 8 -0.449 11.316 1.978 1.00 0.00 C ATOM 93 O ASP A 8 -0.604 10.643 0.961 1.00 0.00 O ATOM 94 CB ASP A 8 0.361 13.624 1.396 1.00 0.00 C ATOM 95 CG ASP A 8 1.676 13.438 2.127 1.00 0.00 C ATOM 96 OD1 ASP A 8 2.527 12.662 1.651 1.00 0.00 O ATOM 97 OD2 ASP A 8 1.867 14.078 3.183 1.00 0.00 O ATOM 0 H ASP A 8 -0.322 13.749 3.807 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.675 12.964 1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.491 13.345 0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.090 14.680 1.413 1.00 0.00 H new ATOM 102 N ALA A 9 -0.008 10.811 3.119 1.00 0.00 N ATOM 103 CA ALA A 9 0.284 9.398 3.260 1.00 0.00 C ATOM 104 C ALA A 9 -0.927 8.658 3.813 1.00 0.00 C ATOM 105 O ALA A 9 -1.388 8.952 4.918 1.00 0.00 O ATOM 106 CB ALA A 9 1.487 9.189 4.162 1.00 0.00 C ATOM 0 H ALA A 9 0.155 11.362 3.962 1.00 0.00 H new ATOM 0 HA ALA A 9 0.518 8.996 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.691 8.122 4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.355 9.688 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.280 9.607 5.147 1.00 0.00 H new ATOM 112 N PRO A 10 -1.467 7.702 3.042 1.00 0.00 N ATOM 113 CA PRO A 10 -2.594 6.869 3.474 1.00 0.00 C ATOM 114 C PRO A 10 -2.273 6.105 4.755 1.00 0.00 C ATOM 115 O PRO A 10 -1.199 5.511 4.877 1.00 0.00 O ATOM 116 CB PRO A 10 -2.789 5.887 2.315 1.00 0.00 C ATOM 117 CG PRO A 10 -2.171 6.555 1.137 1.00 0.00 C ATOM 118 CD PRO A 10 -1.027 7.365 1.678 1.00 0.00 C ATOM 0 HA PRO A 10 -3.479 7.466 3.694 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.310 4.930 2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.846 5.683 2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.821 5.821 0.411 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.893 7.191 0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.098 6.795 1.684 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.849 8.259 1.080 1.00 0.00 H new ATOM 126 N PRO A 11 -3.178 6.150 5.745 1.00 0.00 N ATOM 127 CA PRO A 11 -3.039 5.387 6.992 1.00 0.00 C ATOM 128 C PRO A 11 -3.090 3.876 6.765 1.00 0.00 C ATOM 129 O PRO A 11 -3.145 3.411 5.626 1.00 0.00 O ATOM 130 CB PRO A 11 -4.236 5.839 7.839 1.00 0.00 C ATOM 131 CG PRO A 11 -4.698 7.111 7.213 1.00 0.00 C ATOM 132 CD PRO A 11 -4.390 6.980 5.751 1.00 0.00 C ATOM 0 HA PRO A 11 -2.075 5.572 7.465 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.027 5.089 7.836 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.947 5.994 8.879 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.765 7.263 7.376 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.184 7.969 7.646 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.207 6.506 5.207 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.218 7.951 5.286 1.00 0.00 H new ATOM 140 N ASP A 12 -3.081 3.122 7.860 1.00 0.00 N ATOM 141 CA ASP A 12 -3.057 1.660 7.803 1.00 0.00 C ATOM 142 C ASP A 12 -4.213 1.109 6.980 1.00 0.00 C ATOM 143 O ASP A 12 -5.381 1.359 7.289 1.00 0.00 O ATOM 144 CB ASP A 12 -3.119 1.056 9.210 1.00 0.00 C ATOM 145 CG ASP A 12 -1.907 1.392 10.048 1.00 0.00 C ATOM 146 OD1 ASP A 12 -0.916 0.631 10.001 1.00 0.00 O ATOM 147 OD2 ASP A 12 -1.937 2.417 10.763 1.00 0.00 O ATOM 0 H ASP A 12 -3.090 3.502 8.807 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.119 1.381 7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.015 1.416 9.715 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.211 -0.027 9.131 1.00 0.00 H new ATOM 152 N PRO A 13 -3.902 0.368 5.907 1.00 0.00 N ATOM 153 CA PRO A 13 -4.912 -0.323 5.110 1.00 0.00 C ATOM 154 C PRO A 13 -5.558 -1.457 5.898 1.00 0.00 C ATOM 155 O PRO A 13 -4.896 -2.136 6.688 1.00 0.00 O ATOM 156 CB PRO A 13 -4.130 -0.882 3.914 1.00 0.00 C ATOM 157 CG PRO A 13 -2.819 -0.171 3.931 1.00 0.00 C ATOM 158 CD PRO A 13 -2.550 0.162 5.368 1.00 0.00 C ATOM 0 HA PRO A 13 -5.725 0.341 4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.994 -1.960 4.003 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.661 -0.704 2.979 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.028 -0.800 3.521 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.856 0.732 3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.028 -0.646 5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.933 1.055 5.469 1.00 0.00 H new ATOM 166 N THR A 14 -6.845 -1.651 5.690 1.00 0.00 N ATOM 167 CA THR A 14 -7.584 -2.697 6.371 1.00 0.00 C ATOM 168 C THR A 14 -7.905 -3.824 5.399 1.00 0.00 C ATOM 169 O THR A 14 -8.331 -3.575 4.269 1.00 0.00 O ATOM 170 CB THR A 14 -8.891 -2.140 6.961 1.00 0.00 C ATOM 171 OG1 THR A 14 -8.617 -0.924 7.670 1.00 0.00 O ATOM 172 CG2 THR A 14 -9.541 -3.143 7.905 1.00 0.00 C ATOM 0 H THR A 14 -7.406 -1.092 5.048 1.00 0.00 H new ATOM 0 HA THR A 14 -6.967 -3.081 7.183 1.00 0.00 H new ATOM 0 HB THR A 14 -9.581 -1.946 6.140 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.450 -0.569 8.044 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.462 -2.721 8.306 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.768 -4.060 7.361 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.858 -3.367 8.724 1.00 0.00 H new ATOM 180 N VAL A 15 -7.690 -5.056 5.827 1.00 0.00 N ATOM 181 CA VAL A 15 -7.942 -6.202 4.976 1.00 0.00 C ATOM 182 C VAL A 15 -9.163 -6.980 5.445 1.00 0.00 C ATOM 183 O VAL A 15 -9.185 -7.506 6.558 1.00 0.00 O ATOM 184 CB VAL A 15 -6.722 -7.145 4.923 1.00 0.00 C ATOM 185 CG1 VAL A 15 -7.095 -8.466 4.271 1.00 0.00 C ATOM 186 CG2 VAL A 15 -5.570 -6.491 4.174 1.00 0.00 C ATOM 0 H VAL A 15 -7.342 -5.286 6.758 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.131 -5.816 3.974 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.400 -7.343 5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.221 -9.117 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.887 -8.945 4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.445 -8.284 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.720 -7.172 4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.882 -6.261 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.282 -5.570 4.682 1.00 0.00 H new ATOM 196 N ASP A 16 -10.175 -7.044 4.594 1.00 0.00 N ATOM 197 CA ASP A 16 -11.361 -7.841 4.873 1.00 0.00 C ATOM 198 C ASP A 16 -11.392 -9.058 3.959 1.00 0.00 C ATOM 199 O ASP A 16 -11.227 -8.936 2.744 1.00 0.00 O ATOM 200 CB ASP A 16 -12.630 -7.008 4.687 1.00 0.00 C ATOM 201 CG ASP A 16 -13.890 -7.816 4.922 1.00 0.00 C ATOM 202 OD1 ASP A 16 -14.047 -8.381 6.024 1.00 0.00 O ATOM 203 OD2 ASP A 16 -14.744 -7.874 4.014 1.00 0.00 O ATOM 0 H ASP A 16 -10.199 -6.552 3.701 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.321 -8.173 5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -12.610 -6.162 5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -12.648 -6.598 3.677 1.00 0.00 H new ATOM 208 N GLN A 17 -11.576 -10.231 4.541 1.00 0.00 N ATOM 209 CA GLN A 17 -11.580 -11.464 3.773 1.00 0.00 C ATOM 210 C GLN A 17 -12.980 -11.754 3.254 1.00 0.00 C ATOM 211 O GLN A 17 -13.896 -12.036 4.029 1.00 0.00 O ATOM 212 CB GLN A 17 -11.087 -12.654 4.609 1.00 0.00 C ATOM 213 CG GLN A 17 -9.703 -12.478 5.230 1.00 0.00 C ATOM 214 CD GLN A 17 -9.737 -11.753 6.562 1.00 0.00 C ATOM 215 OE1 GLN A 17 -9.901 -12.372 7.610 1.00 0.00 O ATOM 216 NE2 GLN A 17 -9.556 -10.445 6.539 1.00 0.00 N ATOM 0 H GLN A 17 -11.725 -10.355 5.542 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.896 -11.330 2.935 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.806 -12.840 5.407 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -11.075 -13.542 3.977 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.246 -13.458 5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.068 -11.925 4.538 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.423 -9.964 5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.549 -9.916 7.411 1.00 0.00 H new ATOM 225 N VAL A 18 -13.149 -11.665 1.944 1.00 0.00 N ATOM 226 CA VAL A 18 -14.430 -11.964 1.321 1.00 0.00 C ATOM 227 C VAL A 18 -14.464 -13.410 0.845 1.00 0.00 C ATOM 228 O VAL A 18 -15.532 -13.999 0.679 1.00 0.00 O ATOM 229 CB VAL A 18 -14.730 -11.018 0.140 1.00 0.00 C ATOM 230 CG1 VAL A 18 -14.955 -9.603 0.643 1.00 0.00 C ATOM 231 CG2 VAL A 18 -13.603 -11.048 -0.884 1.00 0.00 C ATOM 0 H VAL A 18 -12.416 -11.388 1.291 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.201 -11.812 2.077 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.640 -11.364 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -15.166 -8.946 -0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.800 -9.592 1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -14.061 -9.254 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.840 -10.372 -1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.673 -10.732 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.488 -12.061 -1.269 1.00 0.00 H new ATOM 241 N ASP A 19 -13.286 -13.972 0.631 1.00 0.00 N ATOM 242 CA ASP A 19 -13.149 -15.365 0.237 1.00 0.00 C ATOM 243 C ASP A 19 -11.990 -15.992 0.992 1.00 0.00 C ATOM 244 O ASP A 19 -11.389 -15.344 1.849 1.00 0.00 O ATOM 245 CB ASP A 19 -12.910 -15.499 -1.271 1.00 0.00 C ATOM 246 CG ASP A 19 -14.138 -15.194 -2.107 1.00 0.00 C ATOM 247 OD1 ASP A 19 -14.950 -16.115 -2.331 1.00 0.00 O ATOM 248 OD2 ASP A 19 -14.289 -14.039 -2.565 1.00 0.00 O ATOM 0 H ASP A 19 -12.399 -13.477 0.725 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.078 -15.881 0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -12.104 -14.826 -1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -12.574 -16.513 -1.489 1.00 0.00 H new ATOM 253 N ASP A 20 -11.669 -17.236 0.678 1.00 0.00 N ATOM 254 CA ASP A 20 -10.513 -17.884 1.281 1.00 0.00 C ATOM 255 C ASP A 20 -9.255 -17.433 0.564 1.00 0.00 C ATOM 256 O ASP A 20 -8.226 -17.170 1.185 1.00 0.00 O ATOM 257 CB ASP A 20 -10.619 -19.411 1.204 1.00 0.00 C ATOM 258 CG ASP A 20 -11.803 -19.967 1.965 1.00 0.00 C ATOM 259 OD1 ASP A 20 -11.705 -20.134 3.198 1.00 0.00 O ATOM 260 OD2 ASP A 20 -12.838 -20.257 1.329 1.00 0.00 O ATOM 0 H ASP A 20 -12.186 -17.814 0.016 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.475 -17.599 2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.694 -19.711 0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.703 -19.852 1.597 1.00 0.00 H new ATOM 265 N THR A 21 -9.358 -17.326 -0.752 1.00 0.00 N ATOM 266 CA THR A 21 -8.217 -16.993 -1.582 1.00 0.00 C ATOM 267 C THR A 21 -8.307 -15.578 -2.147 1.00 0.00 C ATOM 268 O THR A 21 -7.568 -15.224 -3.069 1.00 0.00 O ATOM 269 CB THR A 21 -8.078 -17.995 -2.743 1.00 0.00 C ATOM 270 OG1 THR A 21 -9.348 -18.184 -3.385 1.00 0.00 O ATOM 271 CG2 THR A 21 -7.549 -19.330 -2.250 1.00 0.00 C ATOM 0 H THR A 21 -10.227 -17.466 -1.268 1.00 0.00 H new ATOM 0 HA THR A 21 -7.338 -17.047 -0.940 1.00 0.00 H new ATOM 0 HB THR A 21 -7.366 -17.586 -3.460 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.250 -18.821 -4.123 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.460 -20.019 -3.090 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.570 -19.187 -1.793 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.237 -19.744 -1.512 1.00 0.00 H new ATOM 279 N SER A 22 -9.210 -14.769 -1.611 1.00 0.00 N ATOM 280 CA SER A 22 -9.375 -13.403 -2.093 1.00 0.00 C ATOM 281 C SER A 22 -9.785 -12.464 -0.964 1.00 0.00 C ATOM 282 O SER A 22 -10.663 -12.784 -0.157 1.00 0.00 O ATOM 283 CB SER A 22 -10.409 -13.354 -3.221 1.00 0.00 C ATOM 284 OG SER A 22 -10.098 -14.295 -4.236 1.00 0.00 O ATOM 0 H SER A 22 -9.835 -15.031 -0.849 1.00 0.00 H new ATOM 0 HA SER A 22 -8.413 -13.068 -2.480 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.401 -13.561 -2.819 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.441 -12.351 -3.647 1.00 0.00 H new ATOM 0 HG SER A 22 -10.849 -14.361 -4.862 1.00 0.00 H new ATOM 290 N ILE A 23 -9.141 -11.308 -0.914 1.00 0.00 N ATOM 291 CA ILE A 23 -9.419 -10.315 0.114 1.00 0.00 C ATOM 292 C ILE A 23 -9.787 -8.986 -0.516 1.00 0.00 C ATOM 293 O ILE A 23 -9.549 -8.765 -1.702 1.00 0.00 O ATOM 294 CB ILE A 23 -8.193 -10.066 1.014 1.00 0.00 C ATOM 295 CG1 ILE A 23 -7.067 -9.427 0.191 1.00 0.00 C ATOM 296 CG2 ILE A 23 -7.730 -11.367 1.646 1.00 0.00 C ATOM 297 CD1 ILE A 23 -6.021 -8.711 1.018 1.00 0.00 C ATOM 0 H ILE A 23 -8.417 -11.033 -1.578 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.243 -10.709 0.709 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.470 -9.381 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.579 -10.203 -0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.504 -8.719 -0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.863 -11.176 2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.535 -11.785 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.458 -12.075 0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.263 -8.289 0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.493 -7.911 1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.553 -9.417 1.704 1.00 0.00 H new ATOM 309 N VAL A 24 -10.359 -8.106 0.280 1.00 0.00 N ATOM 310 CA VAL A 24 -10.531 -6.729 -0.122 1.00 0.00 C ATOM 311 C VAL A 24 -9.667 -5.851 0.771 1.00 0.00 C ATOM 312 O VAL A 24 -9.972 -5.648 1.948 1.00 0.00 O ATOM 313 CB VAL A 24 -12.005 -6.272 -0.046 1.00 0.00 C ATOM 314 CG1 VAL A 24 -12.142 -4.820 -0.485 1.00 0.00 C ATOM 315 CG2 VAL A 24 -12.887 -7.170 -0.901 1.00 0.00 C ATOM 0 H VAL A 24 -10.713 -8.323 1.212 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.226 -6.637 -1.165 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.333 -6.350 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -13.188 -4.519 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.543 -4.185 0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.794 -4.716 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.922 -6.833 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.556 -7.124 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.816 -8.197 -0.543 1.00 0.00 H new ATOM 325 N VAL A 25 -8.570 -5.371 0.212 1.00 0.00 N ATOM 326 CA VAL A 25 -7.655 -4.509 0.935 1.00 0.00 C ATOM 327 C VAL A 25 -8.040 -3.052 0.695 1.00 0.00 C ATOM 328 O VAL A 25 -8.013 -2.563 -0.436 1.00 0.00 O ATOM 329 CB VAL A 25 -6.177 -4.787 0.533 1.00 0.00 C ATOM 330 CG1 VAL A 25 -6.018 -4.862 -0.973 1.00 0.00 C ATOM 331 CG2 VAL A 25 -5.230 -3.749 1.111 1.00 0.00 C ATOM 0 H VAL A 25 -8.291 -5.567 -0.749 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.732 -4.721 2.001 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.913 -5.756 0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.974 -5.057 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.640 -5.667 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.325 -3.916 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.209 -3.979 0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.504 -2.761 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.296 -3.762 2.199 1.00 0.00 H new ATOM 341 N ARG A 26 -8.448 -2.381 1.761 1.00 0.00 N ATOM 342 CA ARG A 26 -8.977 -1.031 1.658 1.00 0.00 C ATOM 343 C ARG A 26 -8.068 -0.035 2.357 1.00 0.00 C ATOM 344 O ARG A 26 -7.529 -0.318 3.425 1.00 0.00 O ATOM 345 CB ARG A 26 -10.375 -0.963 2.276 1.00 0.00 C ATOM 346 CG ARG A 26 -11.356 -1.966 1.690 1.00 0.00 C ATOM 347 CD ARG A 26 -12.739 -1.809 2.298 1.00 0.00 C ATOM 348 NE ARG A 26 -13.287 -0.474 2.063 1.00 0.00 N ATOM 349 CZ ARG A 26 -14.121 0.149 2.894 1.00 0.00 C ATOM 350 NH1 ARG A 26 -14.545 -0.455 3.996 1.00 0.00 N ATOM 351 NH2 ARG A 26 -14.544 1.373 2.606 1.00 0.00 N ATOM 0 H ARG A 26 -8.422 -2.752 2.711 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.032 -0.773 0.601 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.296 -1.132 3.350 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.773 0.042 2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.414 -1.832 0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.992 -2.978 1.866 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.409 -2.557 1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.688 -1.997 3.370 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.013 0.011 1.208 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.232 -1.402 4.211 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.184 0.027 4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.231 1.833 1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.183 1.854 3.239 1.00 0.00 H new ATOM 365 N TRP A 27 -7.908 1.126 1.754 1.00 0.00 N ATOM 366 CA TRP A 27 -7.114 2.192 2.334 1.00 0.00 C ATOM 367 C TRP A 27 -7.870 3.509 2.234 1.00 0.00 C ATOM 368 O TRP A 27 -8.477 3.811 1.207 1.00 0.00 O ATOM 369 CB TRP A 27 -5.749 2.289 1.638 1.00 0.00 C ATOM 370 CG TRP A 27 -5.833 2.295 0.140 1.00 0.00 C ATOM 371 CD1 TRP A 27 -6.045 3.375 -0.666 1.00 0.00 C ATOM 372 CD2 TRP A 27 -5.699 1.166 -0.730 1.00 0.00 C ATOM 373 NE1 TRP A 27 -6.064 2.984 -1.981 1.00 0.00 N ATOM 374 CE2 TRP A 27 -5.849 1.634 -2.048 1.00 0.00 C ATOM 375 CE3 TRP A 27 -5.468 -0.197 -0.523 1.00 0.00 C ATOM 376 CZ2 TRP A 27 -5.777 0.790 -3.152 1.00 0.00 C ATOM 377 CZ3 TRP A 27 -5.395 -1.034 -1.620 1.00 0.00 C ATOM 378 CH2 TRP A 27 -5.549 -0.538 -2.920 1.00 0.00 C ATOM 0 H TRP A 27 -8.323 1.357 0.851 1.00 0.00 H new ATOM 0 HA TRP A 27 -6.936 1.970 3.386 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.247 3.198 1.968 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -5.130 1.450 1.955 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.178 4.389 -0.320 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.214 3.600 -2.780 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.349 -0.589 0.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -5.897 1.170 -4.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.216 -2.089 -1.472 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.486 -1.218 -3.757 1.00 0.00 H new ATOM 389 N SER A 28 -7.860 4.278 3.306 1.00 0.00 N ATOM 390 CA SER A 28 -8.575 5.540 3.331 1.00 0.00 C ATOM 391 C SER A 28 -7.820 6.607 2.543 1.00 0.00 C ATOM 392 O SER A 28 -6.737 7.043 2.945 1.00 0.00 O ATOM 393 CB SER A 28 -8.781 5.986 4.777 1.00 0.00 C ATOM 394 OG SER A 28 -7.552 5.983 5.482 1.00 0.00 O ATOM 0 H SER A 28 -7.366 4.052 4.169 1.00 0.00 H new ATOM 0 HA SER A 28 -9.548 5.402 2.859 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.214 6.986 4.796 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.490 5.322 5.270 1.00 0.00 H new ATOM 0 HG SER A 28 -7.704 6.273 6.406 1.00 0.00 H new ATOM 400 N ARG A 29 -8.393 7.012 1.421 1.00 0.00 N ATOM 401 CA ARG A 29 -7.799 8.041 0.588 1.00 0.00 C ATOM 402 C ARG A 29 -8.186 9.422 1.094 1.00 0.00 C ATOM 403 O ARG A 29 -9.364 9.721 1.284 1.00 0.00 O ATOM 404 CB ARG A 29 -8.203 7.832 -0.877 1.00 0.00 C ATOM 405 CG ARG A 29 -8.261 9.085 -1.754 1.00 0.00 C ATOM 406 CD ARG A 29 -6.877 9.638 -2.063 1.00 0.00 C ATOM 407 NE ARG A 29 -6.846 10.370 -3.332 1.00 0.00 N ATOM 408 CZ ARG A 29 -6.560 11.668 -3.450 1.00 0.00 C ATOM 409 NH1 ARG A 29 -6.344 12.414 -2.375 1.00 0.00 N ATOM 410 NH2 ARG A 29 -6.509 12.226 -4.651 1.00 0.00 N ATOM 0 H ARG A 29 -9.274 6.640 1.066 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.713 7.968 0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.500 7.132 -1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.184 7.356 -0.896 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.772 8.849 -2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.852 9.851 -1.251 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.563 10.300 -1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.160 8.818 -2.100 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.058 9.851 -4.184 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.396 11.997 -1.446 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.126 13.405 -2.477 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.688 11.663 -5.483 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.291 13.218 -4.744 1.00 0.00 H new ATOM 424 N PRO A 30 -7.170 10.254 1.348 1.00 0.00 N ATOM 425 CA PRO A 30 -7.338 11.614 1.866 1.00 0.00 C ATOM 426 C PRO A 30 -8.239 12.469 0.982 1.00 0.00 C ATOM 427 O PRO A 30 -7.785 12.900 -0.095 1.00 0.00 O ATOM 428 CB PRO A 30 -5.913 12.182 1.882 1.00 0.00 C ATOM 429 CG PRO A 30 -5.114 11.270 1.012 1.00 0.00 C ATOM 430 CD PRO A 30 -5.754 9.921 1.141 1.00 0.00 C ATOM 431 OXT PRO A 30 -9.394 12.724 1.380 1.00 0.00 O ATOM 0 HA PRO A 30 -7.818 11.611 2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.893 13.204 1.503 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.512 12.210 2.895 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.123 11.610 -0.024 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.072 11.241 1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.607 9.316 0.246 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.344 9.357 1.979 1.00 0.00 H new TER 439 PRO A 30 ATOM 440 N MET B 31 -3.142 31.513 -6.882 1.00 0.00 N ATOM 441 CA MET B 31 -2.013 30.864 -6.175 1.00 0.00 C ATOM 442 C MET B 31 -2.320 30.711 -4.691 1.00 0.00 C ATOM 443 O MET B 31 -2.470 29.595 -4.192 1.00 0.00 O ATOM 444 CB MET B 31 -0.726 31.675 -6.361 1.00 0.00 C ATOM 445 CG MET B 31 0.466 31.128 -5.589 1.00 0.00 C ATOM 446 SD MET B 31 0.840 29.412 -5.997 1.00 0.00 S ATOM 447 CE MET B 31 1.213 29.543 -7.744 1.00 0.00 C ATOM 0 HA MET B 31 -1.871 29.872 -6.605 1.00 0.00 H new ATOM 0 HB2 MET B 31 -0.477 31.704 -7.422 1.00 0.00 H new ATOM 0 HB3 MET B 31 -0.908 32.703 -6.048 1.00 0.00 H new ATOM 0 HG2 MET B 31 1.341 31.744 -5.797 1.00 0.00 H new ATOM 0 HG3 MET B 31 0.267 31.207 -4.520 1.00 0.00 H new ATOM 0 HE1 MET B 31 1.714 28.634 -8.078 1.00 0.00 H new ATOM 0 HE2 MET B 31 0.288 29.675 -8.305 1.00 0.00 H new ATOM 0 HE3 MET B 31 1.865 30.400 -7.914 1.00 0.00 H new ATOM 459 N ARG B 32 -2.415 31.829 -3.986 1.00 0.00 N ATOM 460 CA ARG B 32 -2.672 31.803 -2.556 1.00 0.00 C ATOM 461 C ARG B 32 -3.936 32.598 -2.247 1.00 0.00 C ATOM 462 O ARG B 32 -3.962 33.823 -2.378 1.00 0.00 O ATOM 463 CB ARG B 32 -1.458 32.367 -1.797 1.00 0.00 C ATOM 464 CG ARG B 32 -1.458 32.100 -0.295 1.00 0.00 C ATOM 465 CD ARG B 32 -2.411 33.019 0.451 1.00 0.00 C ATOM 466 NE ARG B 32 -2.446 32.734 1.881 1.00 0.00 N ATOM 467 CZ ARG B 32 -3.409 33.151 2.698 1.00 0.00 C ATOM 468 NH1 ARG B 32 -4.421 33.869 2.224 1.00 0.00 N ATOM 469 NH2 ARG B 32 -3.358 32.861 3.992 1.00 0.00 N ATOM 0 H ARG B 32 -2.318 32.764 -4.382 1.00 0.00 H new ATOM 0 HA ARG B 32 -2.827 30.775 -2.229 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -0.550 31.943 -2.227 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -1.415 33.444 -1.960 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -1.738 31.063 -0.112 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -0.449 32.231 0.096 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -2.110 34.055 0.296 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -3.414 32.913 0.037 1.00 0.00 H new ATOM 0 HE ARG B 32 -1.686 32.182 2.278 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -4.461 34.102 1.232 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -5.159 34.188 2.852 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -2.579 32.317 4.362 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -4.098 33.182 4.616 1.00 0.00 H new ATOM 483 N GLY B 33 -4.983 31.891 -1.855 1.00 0.00 N ATOM 484 CA GLY B 33 -6.236 32.533 -1.516 1.00 0.00 C ATOM 485 C GLY B 33 -7.151 31.596 -0.763 1.00 0.00 C ATOM 486 O GLY B 33 -6.829 31.170 0.344 1.00 0.00 O ATOM 0 H GLY B 33 -4.988 30.875 -1.765 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -6.041 33.418 -0.910 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -6.730 32.873 -2.426 1.00 0.00 H new ATOM 490 N SER B 34 -8.278 31.257 -1.368 1.00 0.00 N ATOM 491 CA SER B 34 -9.207 30.313 -0.772 1.00 0.00 C ATOM 492 C SER B 34 -8.729 28.888 -1.019 1.00 0.00 C ATOM 493 O SER B 34 -8.971 27.983 -0.218 1.00 0.00 O ATOM 494 CB SER B 34 -10.602 30.518 -1.363 1.00 0.00 C ATOM 495 OG SER B 34 -10.555 30.508 -2.780 1.00 0.00 O ATOM 0 H SER B 34 -8.571 31.623 -2.274 1.00 0.00 H new ATOM 0 HA SER B 34 -9.253 30.483 0.304 1.00 0.00 H new ATOM 0 HB2 SER B 34 -11.270 29.732 -1.011 1.00 0.00 H new ATOM 0 HB3 SER B 34 -11.014 31.465 -1.015 1.00 0.00 H new ATOM 0 HG SER B 34 -11.458 30.639 -3.138 1.00 0.00 H new ATOM 501 N ASN B 35 -8.042 28.705 -2.137 1.00 0.00 N ATOM 502 CA ASN B 35 -7.491 27.411 -2.497 1.00 0.00 C ATOM 503 C ASN B 35 -6.177 27.176 -1.769 1.00 0.00 C ATOM 504 O ASN B 35 -5.155 27.787 -2.095 1.00 0.00 O ATOM 505 CB ASN B 35 -7.279 27.324 -4.013 1.00 0.00 C ATOM 506 CG ASN B 35 -6.625 26.023 -4.445 1.00 0.00 C ATOM 507 OD1 ASN B 35 -7.300 25.018 -4.675 1.00 0.00 O ATOM 508 ND2 ASN B 35 -5.306 26.033 -4.568 1.00 0.00 N ATOM 0 H ASN B 35 -7.853 29.444 -2.814 1.00 0.00 H new ATOM 0 HA ASN B 35 -8.199 26.638 -2.199 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -8.241 27.426 -4.516 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -6.660 28.161 -4.337 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -4.815 25.189 -4.862 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -4.782 26.885 -4.369 1.00 0.00 H new ATOM 515 N ALA B 36 -6.216 26.310 -0.770 1.00 0.00 N ATOM 516 CA ALA B 36 -5.023 25.931 -0.034 1.00 0.00 C ATOM 517 C ALA B 36 -4.546 24.560 -0.500 1.00 0.00 C ATOM 518 O ALA B 36 -5.113 23.535 -0.116 1.00 0.00 O ATOM 519 CB ALA B 36 -5.302 25.925 1.462 1.00 0.00 C ATOM 0 H ALA B 36 -7.069 25.853 -0.449 1.00 0.00 H new ATOM 0 HA ALA B 36 -4.237 26.661 -0.228 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -4.398 25.639 2.000 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -5.612 26.921 1.778 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -6.096 25.211 1.681 1.00 0.00 H new ATOM 525 N PRO B 37 -3.503 24.528 -1.343 1.00 0.00 N ATOM 526 CA PRO B 37 -3.002 23.289 -1.946 1.00 0.00 C ATOM 527 C PRO B 37 -2.570 22.262 -0.908 1.00 0.00 C ATOM 528 O PRO B 37 -1.662 22.502 -0.109 1.00 0.00 O ATOM 529 CB PRO B 37 -1.794 23.740 -2.772 1.00 0.00 C ATOM 530 CG PRO B 37 -2.001 25.196 -2.989 1.00 0.00 C ATOM 531 CD PRO B 37 -2.719 25.697 -1.770 1.00 0.00 C ATOM 0 HA PRO B 37 -3.777 22.796 -2.533 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -0.860 23.548 -2.243 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -1.740 23.203 -3.719 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -1.049 25.710 -3.120 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -2.588 25.377 -3.890 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -2.023 26.020 -0.996 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -3.358 26.549 -2.000 1.00 0.00 H new ATOM 539 N GLN B 38 -3.245 21.129 -0.905 1.00 0.00 N ATOM 540 CA GLN B 38 -2.873 20.028 -0.040 1.00 0.00 C ATOM 541 C GLN B 38 -2.090 19.005 -0.851 1.00 0.00 C ATOM 542 O GLN B 38 -2.459 18.692 -1.976 1.00 0.00 O ATOM 543 CB GLN B 38 -4.117 19.381 0.586 1.00 0.00 C ATOM 544 CG GLN B 38 -5.113 18.835 -0.428 1.00 0.00 C ATOM 545 CD GLN B 38 -6.272 18.111 0.226 1.00 0.00 C ATOM 546 OE1 GLN B 38 -6.212 16.905 0.463 1.00 0.00 O ATOM 547 NE2 GLN B 38 -7.335 18.837 0.519 1.00 0.00 N ATOM 0 H GLN B 38 -4.057 20.947 -1.495 1.00 0.00 H new ATOM 0 HA GLN B 38 -2.251 20.403 0.773 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.800 18.569 1.241 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -4.620 20.118 1.212 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -5.497 19.656 -1.033 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -4.599 18.153 -1.106 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -7.346 19.835 0.306 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -8.146 18.400 0.958 1.00 0.00 H new ATOM 556 N PRO B 39 -0.985 18.486 -0.301 1.00 0.00 N ATOM 557 CA PRO B 39 -0.134 17.520 -1.007 1.00 0.00 C ATOM 558 C PRO B 39 -0.827 16.178 -1.225 1.00 0.00 C ATOM 559 O PRO B 39 -0.346 15.341 -1.986 1.00 0.00 O ATOM 560 CB PRO B 39 1.073 17.355 -0.078 1.00 0.00 C ATOM 561 CG PRO B 39 0.574 17.742 1.270 1.00 0.00 C ATOM 562 CD PRO B 39 -0.465 18.804 1.041 1.00 0.00 C ATOM 0 HA PRO B 39 0.126 17.868 -2.006 1.00 0.00 H new ATOM 0 HB2 PRO B 39 1.439 16.328 -0.084 1.00 0.00 H new ATOM 0 HB3 PRO B 39 1.902 17.991 -0.390 1.00 0.00 H new ATOM 0 HG2 PRO B 39 0.146 16.884 1.788 1.00 0.00 H new ATOM 0 HG3 PRO B 39 1.386 18.119 1.893 1.00 0.00 H new ATOM 0 HD2 PRO B 39 -1.251 18.768 1.796 1.00 0.00 H new ATOM 0 HD3 PRO B 39 -0.033 19.804 1.078 1.00 0.00 H new ATOM 570 N SER B 40 -1.968 16.001 -0.565 1.00 0.00 N ATOM 571 CA SER B 40 -2.716 14.753 -0.608 1.00 0.00 C ATOM 572 C SER B 40 -3.453 14.580 -1.942 1.00 0.00 C ATOM 573 O SER B 40 -4.679 14.679 -2.003 1.00 0.00 O ATOM 574 CB SER B 40 -3.721 14.731 0.543 1.00 0.00 C ATOM 575 OG SER B 40 -3.128 15.198 1.748 1.00 0.00 O ATOM 0 H SER B 40 -2.399 16.721 0.015 1.00 0.00 H new ATOM 0 HA SER B 40 -2.011 13.928 -0.510 1.00 0.00 H new ATOM 0 HB2 SER B 40 -4.580 15.353 0.292 1.00 0.00 H new ATOM 0 HB3 SER B 40 -4.093 13.716 0.686 1.00 0.00 H new ATOM 0 HG SER B 40 -3.791 15.176 2.469 1.00 0.00 H new ATOM 581 N HIS B 41 -2.703 14.326 -3.004 1.00 0.00 N ATOM 582 CA HIS B 41 -3.287 14.071 -4.317 1.00 0.00 C ATOM 583 C HIS B 41 -2.645 12.842 -4.947 1.00 0.00 C ATOM 584 O HIS B 41 -1.684 12.951 -5.704 1.00 0.00 O ATOM 585 CB HIS B 41 -3.125 15.280 -5.250 1.00 0.00 C ATOM 586 CG HIS B 41 -4.057 16.417 -4.952 1.00 0.00 C ATOM 587 ND1 HIS B 41 -5.267 16.590 -5.589 1.00 0.00 N ATOM 588 CD2 HIS B 41 -3.946 17.447 -4.086 1.00 0.00 C ATOM 589 CE1 HIS B 41 -5.856 17.675 -5.126 1.00 0.00 C ATOM 590 NE2 HIS B 41 -5.076 18.216 -4.211 1.00 0.00 N ATOM 0 H HIS B 41 -1.684 14.290 -2.984 1.00 0.00 H new ATOM 0 HA HIS B 41 -4.353 13.893 -4.177 1.00 0.00 H new ATOM 0 HB2 HIS B 41 -2.098 15.640 -5.184 1.00 0.00 H new ATOM 0 HB3 HIS B 41 -3.284 14.955 -6.278 1.00 0.00 H new ATOM 0 HD2 HIS B 41 -3.119 17.632 -3.417 1.00 0.00 H new ATOM 0 HE1 HIS B 41 -6.816 18.056 -5.443 1.00 0.00 H new ATOM 0 HE2 HIS B 41 -5.279 19.065 -3.684 1.00 0.00 H new ATOM 599 N ILE B 42 -3.178 11.673 -4.616 1.00 0.00 N ATOM 600 CA ILE B 42 -2.648 10.411 -5.120 1.00 0.00 C ATOM 601 C ILE B 42 -3.075 10.193 -6.572 1.00 0.00 C ATOM 602 O ILE B 42 -4.229 10.429 -6.930 1.00 0.00 O ATOM 603 CB ILE B 42 -3.112 9.200 -4.263 1.00 0.00 C ATOM 604 CG1 ILE B 42 -2.538 9.253 -2.837 1.00 0.00 C ATOM 605 CG2 ILE B 42 -2.707 7.893 -4.928 1.00 0.00 C ATOM 606 CD1 ILE B 42 -3.146 10.317 -1.946 1.00 0.00 C ATOM 0 H ILE B 42 -3.982 11.572 -3.997 1.00 0.00 H new ATOM 0 HA ILE B 42 -1.562 10.476 -5.059 1.00 0.00 H new ATOM 0 HB ILE B 42 -4.198 9.253 -4.192 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.681 8.280 -2.367 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.463 9.422 -2.899 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -3.039 7.055 -4.315 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.169 7.828 -5.913 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.623 7.859 -5.032 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.679 10.278 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.980 11.300 -2.388 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -4.217 10.140 -1.847 1.00 0.00 H new ATOM 618 N SER B 43 -2.132 9.764 -7.401 1.00 0.00 N ATOM 619 CA SER B 43 -2.411 9.468 -8.797 1.00 0.00 C ATOM 620 C SER B 43 -2.635 7.968 -8.998 1.00 0.00 C ATOM 621 O SER B 43 -3.448 7.558 -9.827 1.00 0.00 O ATOM 622 CB SER B 43 -1.252 9.951 -9.671 1.00 0.00 C ATOM 623 OG SER B 43 -1.014 11.337 -9.476 1.00 0.00 O ATOM 0 H SER B 43 -1.161 9.613 -7.126 1.00 0.00 H new ATOM 0 HA SER B 43 -3.322 9.991 -9.089 1.00 0.00 H new ATOM 0 HB2 SER B 43 -0.351 9.386 -9.432 1.00 0.00 H new ATOM 0 HB3 SER B 43 -1.479 9.761 -10.720 1.00 0.00 H new ATOM 0 HG SER B 43 -0.268 11.624 -10.043 1.00 0.00 H new ATOM 629 N LYS B 44 -1.912 7.152 -8.233 1.00 0.00 N ATOM 630 CA LYS B 44 -2.043 5.702 -8.325 1.00 0.00 C ATOM 631 C LYS B 44 -1.441 5.027 -7.099 1.00 0.00 C ATOM 632 O LYS B 44 -0.528 5.563 -6.468 1.00 0.00 O ATOM 633 CB LYS B 44 -1.364 5.183 -9.599 1.00 0.00 C ATOM 634 CG LYS B 44 0.128 5.475 -9.668 1.00 0.00 C ATOM 635 CD LYS B 44 0.691 5.177 -11.046 1.00 0.00 C ATOM 636 CE LYS B 44 2.153 5.577 -11.146 1.00 0.00 C ATOM 637 NZ LYS B 44 2.691 5.378 -12.516 1.00 0.00 N ATOM 0 H LYS B 44 -1.231 7.471 -7.544 1.00 0.00 H new ATOM 0 HA LYS B 44 -3.105 5.459 -8.368 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -1.517 4.106 -9.667 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -1.852 5.629 -10.466 1.00 0.00 H new ATOM 0 HG2 LYS B 44 0.307 6.521 -9.419 1.00 0.00 H new ATOM 0 HG3 LYS B 44 0.652 4.876 -8.923 1.00 0.00 H new ATOM 0 HD2 LYS B 44 0.588 4.113 -11.261 1.00 0.00 H new ATOM 0 HD3 LYS B 44 0.114 5.712 -11.800 1.00 0.00 H new ATOM 0 HE2 LYS B 44 2.263 6.623 -10.862 1.00 0.00 H new ATOM 0 HE3 LYS B 44 2.739 4.991 -10.438 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 3.691 5.663 -12.541 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 2.610 4.375 -12.778 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 2.149 5.957 -13.189 1.00 0.00 H new ATOM 651 N TYR B 45 -1.968 3.860 -6.763 1.00 0.00 N ATOM 652 CA TYR B 45 -1.465 3.072 -5.649 1.00 0.00 C ATOM 653 C TYR B 45 -0.810 1.811 -6.182 1.00 0.00 C ATOM 654 O TYR B 45 -1.361 1.144 -7.056 1.00 0.00 O ATOM 655 CB TYR B 45 -2.592 2.663 -4.698 1.00 0.00 C ATOM 656 CG TYR B 45 -3.536 3.780 -4.320 1.00 0.00 C ATOM 657 CD1 TYR B 45 -4.688 4.005 -5.057 1.00 0.00 C ATOM 658 CD2 TYR B 45 -3.284 4.594 -3.224 1.00 0.00 C ATOM 659 CE1 TYR B 45 -5.564 5.010 -4.716 1.00 0.00 C ATOM 660 CE2 TYR B 45 -4.159 5.605 -2.877 1.00 0.00 C ATOM 661 CZ TYR B 45 -5.298 5.808 -3.628 1.00 0.00 C ATOM 662 OH TYR B 45 -6.178 6.806 -3.291 1.00 0.00 O ATOM 0 H TYR B 45 -2.754 3.433 -7.253 1.00 0.00 H new ATOM 0 HA TYR B 45 -0.748 3.685 -5.103 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -3.167 1.861 -5.161 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -2.151 2.255 -3.788 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -4.902 3.382 -5.913 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.393 4.435 -2.635 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -6.457 5.172 -5.301 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -3.953 6.233 -2.023 1.00 0.00 H new ATOM 0 HH TYR B 45 -7.092 6.522 -3.504 1.00 0.00 H new ATOM 672 N ILE B 46 0.358 1.490 -5.671 1.00 0.00 N ATOM 673 CA ILE B 46 1.032 0.263 -6.047 1.00 0.00 C ATOM 674 C ILE B 46 0.976 -0.720 -4.885 1.00 0.00 C ATOM 675 O ILE B 46 1.598 -0.509 -3.843 1.00 0.00 O ATOM 676 CB ILE B 46 2.501 0.506 -6.489 1.00 0.00 C ATOM 677 CG1 ILE B 46 2.558 1.224 -7.848 1.00 0.00 C ATOM 678 CG2 ILE B 46 3.272 -0.806 -6.561 1.00 0.00 C ATOM 679 CD1 ILE B 46 2.139 2.680 -7.810 1.00 0.00 C ATOM 0 H ILE B 46 0.863 2.061 -4.993 1.00 0.00 H new ATOM 0 HA ILE B 46 0.513 -0.155 -6.910 1.00 0.00 H new ATOM 0 HB ILE B 46 2.968 1.145 -5.739 1.00 0.00 H new ATOM 0 HG12 ILE B 46 3.575 1.162 -8.234 1.00 0.00 H new ATOM 0 HG13 ILE B 46 1.917 0.693 -8.552 1.00 0.00 H new ATOM 0 HG21 ILE B 46 4.298 -0.609 -6.873 1.00 0.00 H new ATOM 0 HG22 ILE B 46 3.276 -1.280 -5.580 1.00 0.00 H new ATOM 0 HG23 ILE B 46 2.795 -1.469 -7.282 1.00 0.00 H new ATOM 0 HD11 ILE B 46 2.210 3.105 -8.811 1.00 0.00 H new ATOM 0 HD12 ILE B 46 1.110 2.754 -7.457 1.00 0.00 H new ATOM 0 HD13 ILE B 46 2.795 3.230 -7.135 1.00 0.00 H new ATOM 691 N LEU B 47 0.192 -1.771 -5.067 1.00 0.00 N ATOM 692 CA LEU B 47 -0.002 -2.785 -4.044 1.00 0.00 C ATOM 693 C LEU B 47 0.942 -3.946 -4.325 1.00 0.00 C ATOM 694 O LEU B 47 0.850 -4.592 -5.370 1.00 0.00 O ATOM 695 CB LEU B 47 -1.471 -3.263 -4.068 1.00 0.00 C ATOM 696 CG LEU B 47 -2.045 -3.895 -2.780 1.00 0.00 C ATOM 697 CD1 LEU B 47 -1.244 -5.102 -2.329 1.00 0.00 C ATOM 698 CD2 LEU B 47 -2.133 -2.869 -1.665 1.00 0.00 C ATOM 0 H LEU B 47 -0.327 -1.945 -5.928 1.00 0.00 H new ATOM 0 HA LEU B 47 0.213 -2.376 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -2.097 -2.410 -4.330 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.573 -3.991 -4.872 1.00 0.00 H new ATOM 0 HG LEU B 47 -3.051 -4.241 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU B 47 -1.685 -5.512 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU B 47 -1.256 -5.860 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -0.215 -4.802 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -2.540 -3.339 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.138 -2.479 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -2.784 -2.051 -1.974 1.00 0.00 H new ATOM 710 N ARG B 48 1.868 -4.187 -3.414 1.00 0.00 N ATOM 711 CA ARG B 48 2.802 -5.291 -3.560 1.00 0.00 C ATOM 712 C ARG B 48 2.727 -6.205 -2.352 1.00 0.00 C ATOM 713 O ARG B 48 2.839 -5.746 -1.212 1.00 0.00 O ATOM 714 CB ARG B 48 4.230 -4.773 -3.743 1.00 0.00 C ATOM 715 CG ARG B 48 4.384 -3.838 -4.930 1.00 0.00 C ATOM 716 CD ARG B 48 5.835 -3.453 -5.165 1.00 0.00 C ATOM 717 NE ARG B 48 6.443 -2.837 -3.989 1.00 0.00 N ATOM 718 CZ ARG B 48 7.698 -2.381 -3.956 1.00 0.00 C ATOM 719 NH1 ARG B 48 8.470 -2.484 -5.031 1.00 0.00 N ATOM 720 NH2 ARG B 48 8.177 -1.812 -2.856 1.00 0.00 N ATOM 0 H ARG B 48 1.994 -3.634 -2.566 1.00 0.00 H new ATOM 0 HA ARG B 48 2.526 -5.858 -4.449 1.00 0.00 H new ATOM 0 HB2 ARG B 48 4.539 -4.252 -2.837 1.00 0.00 H new ATOM 0 HB3 ARG B 48 4.903 -5.621 -3.868 1.00 0.00 H new ATOM 0 HG2 ARG B 48 3.987 -4.318 -5.824 1.00 0.00 H new ATOM 0 HG3 ARG B 48 3.792 -2.938 -4.762 1.00 0.00 H new ATOM 0 HD2 ARG B 48 6.404 -4.341 -5.442 1.00 0.00 H new ATOM 0 HD3 ARG B 48 5.893 -2.762 -6.006 1.00 0.00 H new ATOM 0 HE ARG B 48 5.877 -2.750 -3.145 1.00 0.00 H new ATOM 0 HH11 ARG B 48 8.105 -2.911 -5.882 1.00 0.00 H new ATOM 0 HH12 ARG B 48 9.428 -2.136 -5.006 1.00 0.00 H new ATOM 0 HH21 ARG B 48 7.586 -1.721 -2.030 1.00 0.00 H new ATOM 0 HH22 ARG B 48 9.136 -1.466 -2.837 1.00 0.00 H new ATOM 734 N TRP B 49 2.527 -7.490 -2.600 1.00 0.00 N ATOM 735 CA TRP B 49 2.418 -8.460 -1.526 1.00 0.00 C ATOM 736 C TRP B 49 3.359 -9.635 -1.754 1.00 0.00 C ATOM 737 O TRP B 49 3.579 -10.063 -2.890 1.00 0.00 O ATOM 738 CB TRP B 49 0.969 -8.948 -1.373 1.00 0.00 C ATOM 739 CG TRP B 49 0.413 -9.681 -2.565 1.00 0.00 C ATOM 740 CD1 TRP B 49 0.282 -11.033 -2.709 1.00 0.00 C ATOM 741 CD2 TRP B 49 -0.101 -9.101 -3.772 1.00 0.00 C ATOM 742 NE1 TRP B 49 -0.285 -11.327 -3.926 1.00 0.00 N ATOM 743 CE2 TRP B 49 -0.526 -10.157 -4.597 1.00 0.00 C ATOM 744 CE3 TRP B 49 -0.242 -7.792 -4.233 1.00 0.00 C ATOM 745 CZ2 TRP B 49 -1.086 -9.943 -5.854 1.00 0.00 C ATOM 746 CZ3 TRP B 49 -0.795 -7.578 -5.479 1.00 0.00 C ATOM 747 CH2 TRP B 49 -1.212 -8.649 -6.278 1.00 0.00 C ATOM 0 H TRP B 49 2.437 -7.884 -3.537 1.00 0.00 H new ATOM 0 HA TRP B 49 2.711 -7.966 -0.599 1.00 0.00 H new ATOM 0 HB2 TRP B 49 0.913 -9.604 -0.504 1.00 0.00 H new ATOM 0 HB3 TRP B 49 0.332 -8.088 -1.165 1.00 0.00 H new ATOM 0 HD1 TRP B 49 0.581 -11.765 -1.973 1.00 0.00 H new ATOM 0 HE1 TRP B 49 -0.493 -12.263 -4.273 1.00 0.00 H new ATOM 0 HE3 TRP B 49 0.077 -6.959 -3.624 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 -1.409 -10.768 -6.471 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 -0.908 -6.568 -5.844 1.00 0.00 H new ATOM 0 HH2 TRP B 49 -1.642 -8.449 -7.249 1.00 0.00 H new ATOM 758 N ARG B 50 3.929 -10.134 -0.670 1.00 0.00 N ATOM 759 CA ARG B 50 4.830 -11.274 -0.732 1.00 0.00 C ATOM 760 C ARG B 50 4.476 -12.280 0.352 1.00 0.00 C ATOM 761 O ARG B 50 4.306 -11.908 1.515 1.00 0.00 O ATOM 762 CB ARG B 50 6.282 -10.826 -0.548 1.00 0.00 C ATOM 763 CG ARG B 50 7.288 -11.953 -0.738 1.00 0.00 C ATOM 764 CD ARG B 50 8.692 -11.545 -0.318 1.00 0.00 C ATOM 765 NE ARG B 50 8.780 -11.279 1.120 1.00 0.00 N ATOM 766 CZ ARG B 50 9.580 -11.943 1.958 1.00 0.00 C ATOM 767 NH1 ARG B 50 10.344 -12.936 1.518 1.00 0.00 N ATOM 768 NH2 ARG B 50 9.607 -11.616 3.241 1.00 0.00 N ATOM 0 H ARG B 50 3.783 -9.765 0.270 1.00 0.00 H new ATOM 0 HA ARG B 50 4.722 -11.738 -1.712 1.00 0.00 H new ATOM 0 HB2 ARG B 50 6.502 -10.029 -1.258 1.00 0.00 H new ATOM 0 HB3 ARG B 50 6.402 -10.406 0.451 1.00 0.00 H new ATOM 0 HG2 ARG B 50 6.974 -12.820 -0.157 1.00 0.00 H new ATOM 0 HG3 ARG B 50 7.297 -12.257 -1.785 1.00 0.00 H new ATOM 0 HD2 ARG B 50 9.394 -12.335 -0.584 1.00 0.00 H new ATOM 0 HD3 ARG B 50 8.991 -10.654 -0.870 1.00 0.00 H new ATOM 0 HE ARG B 50 8.193 -10.539 1.506 1.00 0.00 H new ATOM 0 HH11 ARG B 50 10.323 -13.197 0.532 1.00 0.00 H new ATOM 0 HH12 ARG B 50 10.952 -13.437 2.166 1.00 0.00 H new ATOM 0 HH21 ARG B 50 9.018 -10.859 3.587 1.00 0.00 H new ATOM 0 HH22 ARG B 50 10.217 -12.121 3.883 1.00 0.00 H new ATOM 782 N PRO B 51 4.339 -13.563 -0.011 1.00 0.00 N ATOM 783 CA PRO B 51 4.128 -14.630 0.963 1.00 0.00 C ATOM 784 C PRO B 51 5.365 -14.829 1.832 1.00 0.00 C ATOM 785 O PRO B 51 6.478 -14.935 1.321 1.00 0.00 O ATOM 786 CB PRO B 51 3.876 -15.880 0.107 1.00 0.00 C ATOM 787 CG PRO B 51 3.651 -15.384 -1.283 1.00 0.00 C ATOM 788 CD PRO B 51 4.377 -14.075 -1.388 1.00 0.00 C ATOM 0 HA PRO B 51 3.306 -14.408 1.643 1.00 0.00 H new ATOM 0 HB2 PRO B 51 4.728 -16.559 0.147 1.00 0.00 H new ATOM 0 HB3 PRO B 51 3.010 -16.434 0.469 1.00 0.00 H new ATOM 0 HG2 PRO B 51 4.028 -16.097 -2.016 1.00 0.00 H new ATOM 0 HG3 PRO B 51 2.587 -15.255 -1.482 1.00 0.00 H new ATOM 0 HD2 PRO B 51 5.400 -14.208 -1.741 1.00 0.00 H new ATOM 0 HD3 PRO B 51 3.885 -13.396 -2.085 1.00 0.00 H new ATOM 796 N LYS B 52 5.163 -14.871 3.144 1.00 0.00 N ATOM 797 CA LYS B 52 6.259 -15.060 4.095 1.00 0.00 C ATOM 798 C LYS B 52 6.911 -16.422 3.918 1.00 0.00 C ATOM 799 O LYS B 52 8.069 -16.625 4.284 1.00 0.00 O ATOM 800 CB LYS B 52 5.746 -14.922 5.527 1.00 0.00 C ATOM 801 CG LYS B 52 5.466 -13.487 5.943 1.00 0.00 C ATOM 802 CD LYS B 52 6.744 -12.661 6.018 1.00 0.00 C ATOM 803 CE LYS B 52 7.642 -13.098 7.168 1.00 0.00 C ATOM 804 NZ LYS B 52 7.024 -12.828 8.493 1.00 0.00 N ATOM 0 H LYS B 52 4.245 -14.776 3.578 1.00 0.00 H new ATOM 0 HA LYS B 52 7.006 -14.290 3.900 1.00 0.00 H new ATOM 0 HB2 LYS B 52 4.832 -15.506 5.633 1.00 0.00 H new ATOM 0 HB3 LYS B 52 6.480 -15.351 6.209 1.00 0.00 H new ATOM 0 HG2 LYS B 52 4.779 -13.030 5.231 1.00 0.00 H new ATOM 0 HG3 LYS B 52 4.971 -13.480 6.914 1.00 0.00 H new ATOM 0 HD2 LYS B 52 7.289 -12.751 5.078 1.00 0.00 H new ATOM 0 HD3 LYS B 52 6.488 -11.608 6.138 1.00 0.00 H new ATOM 0 HE2 LYS B 52 7.854 -14.163 7.077 1.00 0.00 H new ATOM 0 HE3 LYS B 52 8.597 -12.576 7.101 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 7.742 -12.931 9.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 6.645 -11.859 8.509 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 6.252 -13.504 8.660 1.00 0.00 H new ATOM 818 N ASN B 53 6.153 -17.350 3.362 1.00 0.00 N ATOM 819 CA ASN B 53 6.645 -18.692 3.092 1.00 0.00 C ATOM 820 C ASN B 53 7.520 -18.699 1.837 1.00 0.00 C ATOM 821 O ASN B 53 8.301 -19.627 1.610 1.00 0.00 O ATOM 822 CB ASN B 53 5.453 -19.646 2.943 1.00 0.00 C ATOM 823 CG ASN B 53 5.845 -21.031 2.463 1.00 0.00 C ATOM 824 OD1 ASN B 53 6.220 -21.898 3.253 1.00 0.00 O ATOM 825 ND2 ASN B 53 5.725 -21.258 1.167 1.00 0.00 N ATOM 0 H ASN B 53 5.183 -17.197 3.085 1.00 0.00 H new ATOM 0 HA ASN B 53 7.263 -19.029 3.924 1.00 0.00 H new ATOM 0 HB2 ASN B 53 4.945 -19.733 3.903 1.00 0.00 H new ATOM 0 HB3 ASN B 53 4.738 -19.215 2.242 1.00 0.00 H new ATOM 0 HD21 ASN B 53 5.946 -22.179 0.788 1.00 0.00 H new ATOM 0 HD22 ASN B 53 5.411 -20.513 0.546 1.00 0.00 H new ATOM 832 N SER B 54 7.407 -17.647 1.043 1.00 0.00 N ATOM 833 CA SER B 54 8.164 -17.532 -0.192 1.00 0.00 C ATOM 834 C SER B 54 9.359 -16.599 -0.002 1.00 0.00 C ATOM 835 O SER B 54 9.356 -15.743 0.885 1.00 0.00 O ATOM 836 CB SER B 54 7.252 -17.018 -1.305 1.00 0.00 C ATOM 837 OG SER B 54 6.146 -17.887 -1.495 1.00 0.00 O ATOM 0 H SER B 54 6.793 -16.855 1.234 1.00 0.00 H new ATOM 0 HA SER B 54 8.544 -18.515 -0.470 1.00 0.00 H new ATOM 0 HB2 SER B 54 6.896 -16.018 -1.056 1.00 0.00 H new ATOM 0 HB3 SER B 54 7.817 -16.933 -2.233 1.00 0.00 H new ATOM 0 HG SER B 54 5.664 -17.630 -2.308 1.00 0.00 H new ATOM 843 N VAL B 55 10.380 -16.769 -0.830 1.00 0.00 N ATOM 844 CA VAL B 55 11.599 -15.976 -0.719 1.00 0.00 C ATOM 845 C VAL B 55 11.925 -15.291 -2.041 1.00 0.00 C ATOM 846 O VAL B 55 13.051 -14.834 -2.261 1.00 0.00 O ATOM 847 CB VAL B 55 12.803 -16.844 -0.286 1.00 0.00 C ATOM 848 CG1 VAL B 55 12.612 -17.356 1.133 1.00 0.00 C ATOM 849 CG2 VAL B 55 13.006 -18.005 -1.251 1.00 0.00 C ATOM 0 H VAL B 55 10.389 -17.451 -1.589 1.00 0.00 H new ATOM 0 HA VAL B 55 11.418 -15.220 0.046 1.00 0.00 H new ATOM 0 HB VAL B 55 13.697 -16.221 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL B 55 13.470 -17.965 1.419 1.00 0.00 H new ATOM 0 HG12 VAL B 55 12.523 -16.511 1.816 1.00 0.00 H new ATOM 0 HG13 VAL B 55 11.706 -17.960 1.183 1.00 0.00 H new ATOM 0 HG21 VAL B 55 13.858 -18.602 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL B 55 12.111 -18.627 -1.265 1.00 0.00 H new ATOM 0 HG23 VAL B 55 13.194 -17.617 -2.252 1.00 0.00 H new ATOM 859 N GLY B 56 10.931 -15.213 -2.909 1.00 0.00 N ATOM 860 CA GLY B 56 11.138 -14.647 -4.222 1.00 0.00 C ATOM 861 C GLY B 56 10.795 -13.173 -4.289 1.00 0.00 C ATOM 862 O GLY B 56 11.318 -12.364 -3.518 1.00 0.00 O ATOM 0 H GLY B 56 9.980 -15.533 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY B 56 12.179 -14.786 -4.512 1.00 0.00 H new ATOM 0 HA3 GLY B 56 10.530 -15.190 -4.946 1.00 0.00 H new ATOM 866 N ARG B 57 9.912 -12.826 -5.211 1.00 0.00 N ATOM 867 CA ARG B 57 9.559 -11.437 -5.461 1.00 0.00 C ATOM 868 C ARG B 57 8.195 -11.094 -4.885 1.00 0.00 C ATOM 869 O ARG B 57 7.442 -11.972 -4.460 1.00 0.00 O ATOM 870 CB ARG B 57 9.556 -11.166 -6.959 1.00 0.00 C ATOM 871 CG ARG B 57 10.927 -11.283 -7.587 1.00 0.00 C ATOM 872 CD ARG B 57 10.867 -11.043 -9.078 1.00 0.00 C ATOM 873 NE ARG B 57 10.414 -9.692 -9.404 1.00 0.00 N ATOM 874 CZ ARG B 57 10.110 -9.284 -10.635 1.00 0.00 C ATOM 875 NH1 ARG B 57 10.224 -10.117 -11.663 1.00 0.00 N ATOM 876 NH2 ARG B 57 9.702 -8.040 -10.837 1.00 0.00 N ATOM 0 H ARG B 57 9.422 -13.495 -5.805 1.00 0.00 H new ATOM 0 HA ARG B 57 10.304 -10.812 -4.969 1.00 0.00 H new ATOM 0 HB2 ARG B 57 8.879 -11.866 -7.447 1.00 0.00 H new ATOM 0 HB3 ARG B 57 9.164 -10.165 -7.140 1.00 0.00 H new ATOM 0 HG2 ARG B 57 11.603 -10.563 -7.127 1.00 0.00 H new ATOM 0 HG3 ARG B 57 11.336 -12.274 -7.392 1.00 0.00 H new ATOM 0 HD2 ARG B 57 11.854 -11.207 -9.510 1.00 0.00 H new ATOM 0 HD3 ARG B 57 10.194 -11.769 -9.534 1.00 0.00 H new ATOM 0 HE ARG B 57 10.325 -9.020 -8.642 1.00 0.00 H new ATOM 0 HH11 ARG B 57 10.545 -11.073 -11.511 1.00 0.00 H new ATOM 0 HH12 ARG B 57 9.990 -9.801 -12.604 1.00 0.00 H new ATOM 0 HH21 ARG B 57 9.621 -7.396 -10.050 1.00 0.00 H new ATOM 0 HH22 ARG B 57 9.469 -7.726 -11.779 1.00 0.00 H new ATOM 890 N TRP B 58 7.895 -9.805 -4.872 1.00 0.00 N ATOM 891 CA TRP B 58 6.589 -9.318 -4.455 1.00 0.00 C ATOM 892 C TRP B 58 5.686 -9.207 -5.673 1.00 0.00 C ATOM 893 O TRP B 58 6.120 -8.729 -6.723 1.00 0.00 O ATOM 894 CB TRP B 58 6.705 -7.939 -3.796 1.00 0.00 C ATOM 895 CG TRP B 58 7.563 -7.902 -2.567 1.00 0.00 C ATOM 896 CD1 TRP B 58 8.890 -8.210 -2.479 1.00 0.00 C ATOM 897 CD2 TRP B 58 7.157 -7.505 -1.254 1.00 0.00 C ATOM 898 NE1 TRP B 58 9.329 -8.044 -1.191 1.00 0.00 N ATOM 899 CE2 TRP B 58 8.285 -7.611 -0.419 1.00 0.00 C ATOM 900 CE3 TRP B 58 5.948 -7.076 -0.703 1.00 0.00 C ATOM 901 CZ2 TRP B 58 8.238 -7.300 0.937 1.00 0.00 C ATOM 902 CZ3 TRP B 58 5.903 -6.769 0.644 1.00 0.00 C ATOM 903 CH2 TRP B 58 7.043 -6.881 1.450 1.00 0.00 C ATOM 0 H TRP B 58 8.546 -9.070 -5.149 1.00 0.00 H new ATOM 0 HA TRP B 58 6.172 -10.019 -3.732 1.00 0.00 H new ATOM 0 HB2 TRP B 58 7.108 -7.236 -4.525 1.00 0.00 H new ATOM 0 HB3 TRP B 58 5.706 -7.591 -3.535 1.00 0.00 H new ATOM 0 HD1 TRP B 58 9.505 -8.537 -3.304 1.00 0.00 H new ATOM 0 HE1 TRP B 58 10.279 -8.215 -0.862 1.00 0.00 H new ATOM 0 HE3 TRP B 58 5.065 -6.986 -1.318 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 9.115 -7.387 1.561 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 4.973 -6.437 1.082 1.00 0.00 H new ATOM 0 HH2 TRP B 58 6.976 -6.631 2.499 1.00 0.00 H new ATOM 914 N LYS B 59 4.446 -9.643 -5.539 1.00 0.00 N ATOM 915 CA LYS B 59 3.492 -9.549 -6.633 1.00 0.00 C ATOM 916 C LYS B 59 2.904 -8.145 -6.661 1.00 0.00 C ATOM 917 O LYS B 59 2.646 -7.559 -5.610 1.00 0.00 O ATOM 918 CB LYS B 59 2.405 -10.615 -6.481 1.00 0.00 C ATOM 919 CG LYS B 59 2.973 -12.010 -6.260 1.00 0.00 C ATOM 920 CD LYS B 59 1.898 -13.085 -6.259 1.00 0.00 C ATOM 921 CE LYS B 59 1.299 -13.284 -7.643 1.00 0.00 C ATOM 922 NZ LYS B 59 0.437 -14.494 -7.708 1.00 0.00 N ATOM 0 H LYS B 59 4.076 -10.064 -4.687 1.00 0.00 H new ATOM 0 HA LYS B 59 3.995 -9.732 -7.583 1.00 0.00 H new ATOM 0 HB2 LYS B 59 1.761 -10.353 -5.642 1.00 0.00 H new ATOM 0 HB3 LYS B 59 1.780 -10.620 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS B 59 3.701 -12.230 -7.041 1.00 0.00 H new ATOM 0 HG3 LYS B 59 3.507 -12.035 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS B 59 2.324 -14.025 -5.908 1.00 0.00 H new ATOM 0 HD3 LYS B 59 1.110 -12.811 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS B 59 0.713 -12.406 -7.914 1.00 0.00 H new ATOM 0 HE3 LYS B 59 2.101 -13.370 -8.376 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 0.049 -14.593 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 1.002 -15.336 -7.475 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -0.343 -14.401 -7.027 1.00 0.00 H new ATOM 936 N GLU B 60 2.708 -7.603 -7.855 1.00 0.00 N ATOM 937 CA GLU B 60 2.417 -6.183 -8.002 1.00 0.00 C ATOM 938 C GLU B 60 1.067 -5.930 -8.668 1.00 0.00 C ATOM 939 O GLU B 60 0.744 -6.523 -9.699 1.00 0.00 O ATOM 940 CB GLU B 60 3.516 -5.525 -8.834 1.00 0.00 C ATOM 941 CG GLU B 60 4.917 -5.744 -8.289 1.00 0.00 C ATOM 942 CD GLU B 60 5.985 -5.349 -9.281 1.00 0.00 C ATOM 943 OE1 GLU B 60 6.064 -4.154 -9.631 1.00 0.00 O ATOM 944 OE2 GLU B 60 6.756 -6.231 -9.718 1.00 0.00 O ATOM 0 H GLU B 60 2.745 -8.122 -8.732 1.00 0.00 H new ATOM 0 HA GLU B 60 2.377 -5.753 -7.001 1.00 0.00 H new ATOM 0 HB2 GLU B 60 3.468 -5.912 -9.852 1.00 0.00 H new ATOM 0 HB3 GLU B 60 3.323 -4.454 -8.891 1.00 0.00 H new ATOM 0 HG2 GLU B 60 5.043 -5.166 -7.373 1.00 0.00 H new ATOM 0 HG3 GLU B 60 5.041 -6.794 -8.023 1.00 0.00 H new ATOM 951 N ALA B 61 0.291 -5.033 -8.075 1.00 0.00 N ATOM 952 CA ALA B 61 -0.951 -4.564 -8.670 1.00 0.00 C ATOM 953 C ALA B 61 -1.025 -3.043 -8.590 1.00 0.00 C ATOM 954 O ALA B 61 -0.757 -2.461 -7.540 1.00 0.00 O ATOM 955 CB ALA B 61 -2.148 -5.193 -7.972 1.00 0.00 C ATOM 0 H ALA B 61 0.505 -4.612 -7.171 1.00 0.00 H new ATOM 0 HA ALA B 61 -0.972 -4.862 -9.718 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.068 -4.831 -8.430 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -2.097 -6.278 -8.069 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.137 -4.922 -6.916 1.00 0.00 H new ATOM 961 N THR B 62 -1.367 -2.400 -9.696 1.00 0.00 N ATOM 962 CA THR B 62 -1.460 -0.949 -9.730 1.00 0.00 C ATOM 963 C THR B 62 -2.922 -0.503 -9.730 1.00 0.00 C ATOM 964 O THR B 62 -3.702 -0.890 -10.604 1.00 0.00 O ATOM 965 CB THR B 62 -0.738 -0.376 -10.965 1.00 0.00 C ATOM 966 OG1 THR B 62 0.588 -0.917 -11.040 1.00 0.00 O ATOM 967 CG2 THR B 62 -0.660 1.142 -10.896 1.00 0.00 C ATOM 0 H THR B 62 -1.584 -2.859 -10.580 1.00 0.00 H new ATOM 0 HA THR B 62 -0.972 -0.564 -8.834 1.00 0.00 H new ATOM 0 HB THR B 62 -1.305 -0.654 -11.853 1.00 0.00 H new ATOM 0 HG1 THR B 62 1.046 -0.553 -11.827 1.00 0.00 H new ATOM 0 HG21 THR B 62 -0.146 1.520 -11.779 1.00 0.00 H new ATOM 0 HG22 THR B 62 -1.667 1.557 -10.857 1.00 0.00 H new ATOM 0 HG23 THR B 62 -0.111 1.438 -10.002 1.00 0.00 H new ATOM 975 N ILE B 63 -3.285 0.299 -8.743 1.00 0.00 N ATOM 976 CA ILE B 63 -4.656 0.759 -8.576 1.00 0.00 C ATOM 977 C ILE B 63 -4.749 2.256 -8.874 1.00 0.00 C ATOM 978 O ILE B 63 -3.903 3.027 -8.428 1.00 0.00 O ATOM 979 CB ILE B 63 -5.169 0.503 -7.133 1.00 0.00 C ATOM 980 CG1 ILE B 63 -5.043 -0.975 -6.746 1.00 0.00 C ATOM 981 CG2 ILE B 63 -6.616 0.951 -6.988 1.00 0.00 C ATOM 982 CD1 ILE B 63 -3.681 -1.364 -6.213 1.00 0.00 C ATOM 0 H ILE B 63 -2.640 0.650 -8.035 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.277 0.198 -9.274 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.545 1.089 -6.458 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.795 -1.207 -5.992 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.267 -1.588 -7.619 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -6.955 0.762 -5.969 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.690 2.017 -7.204 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.241 0.395 -7.687 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.677 -2.425 -5.963 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.924 -1.167 -6.972 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.460 -0.780 -5.319 1.00 0.00 H new ATOM 994 N PRO B 64 -5.758 2.682 -9.655 1.00 0.00 N ATOM 995 CA PRO B 64 -6.006 4.104 -9.923 1.00 0.00 C ATOM 996 C PRO B 64 -6.200 4.901 -8.636 1.00 0.00 C ATOM 997 O PRO B 64 -6.871 4.442 -7.710 1.00 0.00 O ATOM 998 CB PRO B 64 -7.301 4.099 -10.746 1.00 0.00 C ATOM 999 CG PRO B 64 -7.367 2.739 -11.346 1.00 0.00 C ATOM 1000 CD PRO B 64 -6.722 1.813 -10.354 1.00 0.00 C ATOM 0 HA PRO B 64 -5.167 4.574 -10.435 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -8.169 4.296 -10.118 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -7.283 4.870 -11.516 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -8.400 2.447 -11.537 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -6.845 2.710 -12.303 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -7.453 1.388 -9.666 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -6.226 0.977 -10.848 1.00 0.00 H new ATOM 1008 N GLY B 65 -5.621 6.103 -8.594 1.00 0.00 N ATOM 1009 CA GLY B 65 -5.721 6.958 -7.416 1.00 0.00 C ATOM 1010 C GLY B 65 -7.145 7.396 -7.136 1.00 0.00 C ATOM 1011 O GLY B 65 -7.438 7.991 -6.098 1.00 0.00 O ATOM 0 H GLY B 65 -5.080 6.503 -9.361 1.00 0.00 H new ATOM 0 HA2 GLY B 65 -5.331 6.424 -6.549 1.00 0.00 H new ATOM 0 HA3 GLY B 65 -5.094 7.839 -7.556 1.00 0.00 H new ATOM 1015 N HIS B 66 -8.022 7.114 -8.084 1.00 0.00 N ATOM 1016 CA HIS B 66 -9.445 7.361 -7.936 1.00 0.00 C ATOM 1017 C HIS B 66 -10.094 6.317 -7.016 1.00 0.00 C ATOM 1018 O HIS B 66 -11.181 6.537 -6.485 1.00 0.00 O ATOM 1019 CB HIS B 66 -10.094 7.353 -9.327 1.00 0.00 C ATOM 1020 CG HIS B 66 -11.588 7.305 -9.322 1.00 0.00 C ATOM 1021 ND1 HIS B 66 -12.385 8.389 -9.024 1.00 0.00 N ATOM 1022 CD2 HIS B 66 -12.427 6.280 -9.585 1.00 0.00 C ATOM 1023 CE1 HIS B 66 -13.653 8.031 -9.100 1.00 0.00 C ATOM 1024 NE2 HIS B 66 -13.705 6.756 -9.439 1.00 0.00 N ATOM 0 H HIS B 66 -7.765 6.705 -8.982 1.00 0.00 H new ATOM 0 HA HIS B 66 -9.598 8.335 -7.470 1.00 0.00 H new ATOM 0 HB2 HIS B 66 -9.775 8.245 -9.866 1.00 0.00 H new ATOM 0 HB3 HIS B 66 -9.719 6.493 -9.882 1.00 0.00 H new ATOM 0 HD2 HIS B 66 -12.145 5.274 -9.859 1.00 0.00 H new ATOM 0 HE1 HIS B 66 -14.503 8.672 -8.916 1.00 0.00 H new ATOM 0 HE2 HIS B 66 -14.558 6.213 -9.571 1.00 0.00 H new ATOM 1033 N LEU B 67 -9.425 5.189 -6.825 1.00 0.00 N ATOM 1034 CA LEU B 67 -9.970 4.114 -6.002 1.00 0.00 C ATOM 1035 C LEU B 67 -9.395 4.169 -4.591 1.00 0.00 C ATOM 1036 O LEU B 67 -8.530 4.994 -4.296 1.00 0.00 O ATOM 1037 CB LEU B 67 -9.675 2.747 -6.631 1.00 0.00 C ATOM 1038 CG LEU B 67 -10.206 2.547 -8.054 1.00 0.00 C ATOM 1039 CD1 LEU B 67 -10.041 1.102 -8.488 1.00 0.00 C ATOM 1040 CD2 LEU B 67 -11.663 2.969 -8.152 1.00 0.00 C ATOM 0 H LEU B 67 -8.508 4.993 -7.226 1.00 0.00 H new ATOM 0 HA LEU B 67 -11.050 4.250 -5.946 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -8.596 2.596 -6.640 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -10.099 1.973 -5.991 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.623 3.178 -8.725 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -10.424 0.980 -9.501 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -8.985 0.833 -8.465 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -10.595 0.453 -7.810 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -12.018 2.818 -9.172 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -12.262 2.370 -7.467 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -11.755 4.023 -7.888 1.00 0.00 H new ATOM 1052 N ASN B 68 -9.887 3.298 -3.720 1.00 0.00 N ATOM 1053 CA ASN B 68 -9.402 3.234 -2.345 1.00 0.00 C ATOM 1054 C ASN B 68 -9.461 1.803 -1.813 1.00 0.00 C ATOM 1055 O ASN B 68 -9.431 1.575 -0.602 1.00 0.00 O ATOM 1056 CB ASN B 68 -10.208 4.175 -1.437 1.00 0.00 C ATOM 1057 CG ASN B 68 -11.642 3.721 -1.207 1.00 0.00 C ATOM 1058 OD1 ASN B 68 -12.257 3.074 -2.056 1.00 0.00 O ATOM 1059 ND2 ASN B 68 -12.188 4.062 -0.050 1.00 0.00 N ATOM 0 H ASN B 68 -10.622 2.625 -3.940 1.00 0.00 H new ATOM 0 HA ASN B 68 -8.362 3.559 -2.342 1.00 0.00 H new ATOM 0 HB2 ASN B 68 -9.703 4.258 -0.474 1.00 0.00 H new ATOM 0 HB3 ASN B 68 -10.218 5.172 -1.878 1.00 0.00 H new ATOM 0 HD21 ASN B 68 -13.148 3.788 0.161 1.00 0.00 H new ATOM 0 HD22 ASN B 68 -11.649 4.598 0.630 1.00 0.00 H new ATOM 1066 N SER B 69 -9.539 0.841 -2.723 1.00 0.00 N ATOM 1067 CA SER B 69 -9.590 -0.563 -2.343 1.00 0.00 C ATOM 1068 C SER B 69 -9.293 -1.459 -3.538 1.00 0.00 C ATOM 1069 O SER B 69 -9.505 -1.064 -4.686 1.00 0.00 O ATOM 1070 CB SER B 69 -10.963 -0.900 -1.757 1.00 0.00 C ATOM 1071 OG SER B 69 -12.007 -0.484 -2.624 1.00 0.00 O ATOM 0 H SER B 69 -9.568 1.008 -3.729 1.00 0.00 H new ATOM 0 HA SER B 69 -8.827 -0.741 -1.585 1.00 0.00 H new ATOM 0 HB2 SER B 69 -11.035 -1.974 -1.586 1.00 0.00 H new ATOM 0 HB3 SER B 69 -11.077 -0.415 -0.788 1.00 0.00 H new ATOM 0 HG SER B 69 -12.873 -0.713 -2.226 1.00 0.00 H new ATOM 1077 N TYR B 70 -8.790 -2.653 -3.264 1.00 0.00 N ATOM 1078 CA TYR B 70 -8.527 -3.634 -4.306 1.00 0.00 C ATOM 1079 C TYR B 70 -8.840 -5.039 -3.799 1.00 0.00 C ATOM 1080 O TYR B 70 -8.624 -5.346 -2.627 1.00 0.00 O ATOM 1081 CB TYR B 70 -7.067 -3.547 -4.773 1.00 0.00 C ATOM 1082 CG TYR B 70 -6.712 -4.540 -5.860 1.00 0.00 C ATOM 1083 CD1 TYR B 70 -7.204 -4.397 -7.152 1.00 0.00 C ATOM 1084 CD2 TYR B 70 -5.888 -5.624 -5.590 1.00 0.00 C ATOM 1085 CE1 TYR B 70 -6.886 -5.309 -8.142 1.00 0.00 C ATOM 1086 CE2 TYR B 70 -5.563 -6.538 -6.574 1.00 0.00 C ATOM 1087 CZ TYR B 70 -6.066 -6.377 -7.847 1.00 0.00 C ATOM 1088 OH TYR B 70 -5.749 -7.291 -8.829 1.00 0.00 O ATOM 0 H TYR B 70 -8.554 -2.967 -2.323 1.00 0.00 H new ATOM 0 HA TYR B 70 -9.173 -3.417 -5.157 1.00 0.00 H new ATOM 0 HB2 TYR B 70 -6.872 -2.538 -5.137 1.00 0.00 H new ATOM 0 HB3 TYR B 70 -6.411 -3.709 -3.917 1.00 0.00 H new ATOM 0 HD1 TYR B 70 -7.845 -3.560 -7.387 1.00 0.00 H new ATOM 0 HD2 TYR B 70 -5.494 -5.755 -4.593 1.00 0.00 H new ATOM 0 HE1 TYR B 70 -7.278 -5.185 -9.141 1.00 0.00 H new ATOM 0 HE2 TYR B 70 -4.918 -7.374 -6.347 1.00 0.00 H new ATOM 0 HH TYR B 70 -5.161 -7.981 -8.456 1.00 0.00 H new ATOM 1098 N THR B 71 -9.370 -5.876 -4.673 1.00 0.00 N ATOM 1099 CA THR B 71 -9.658 -7.254 -4.325 1.00 0.00 C ATOM 1100 C THR B 71 -8.536 -8.166 -4.808 1.00 0.00 C ATOM 1101 O THR B 71 -8.461 -8.499 -5.992 1.00 0.00 O ATOM 1102 CB THR B 71 -10.996 -7.705 -4.938 1.00 0.00 C ATOM 1103 OG1 THR B 71 -12.005 -6.728 -4.652 1.00 0.00 O ATOM 1104 CG2 THR B 71 -11.427 -9.056 -4.388 1.00 0.00 C ATOM 0 H THR B 71 -9.610 -5.623 -5.632 1.00 0.00 H new ATOM 0 HA THR B 71 -9.732 -7.321 -3.240 1.00 0.00 H new ATOM 0 HB THR B 71 -10.863 -7.802 -6.016 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.857 -7.013 -5.043 1.00 0.00 H new ATOM 0 HG21 THR B 71 -12.375 -9.347 -4.840 1.00 0.00 H new ATOM 0 HG22 THR B 71 -10.669 -9.803 -4.622 1.00 0.00 H new ATOM 0 HG23 THR B 71 -11.546 -8.987 -3.307 1.00 0.00 H new ATOM 1112 N ILE B 72 -7.653 -8.550 -3.897 1.00 0.00 N ATOM 1113 CA ILE B 72 -6.527 -9.404 -4.245 1.00 0.00 C ATOM 1114 C ILE B 72 -6.981 -10.854 -4.355 1.00 0.00 C ATOM 1115 O ILE B 72 -7.296 -11.495 -3.351 1.00 0.00 O ATOM 1116 CB ILE B 72 -5.382 -9.312 -3.213 1.00 0.00 C ATOM 1117 CG1 ILE B 72 -4.969 -7.854 -2.989 1.00 0.00 C ATOM 1118 CG2 ILE B 72 -4.188 -10.136 -3.677 1.00 0.00 C ATOM 1119 CD1 ILE B 72 -3.869 -7.681 -1.961 1.00 0.00 C ATOM 0 H ILE B 72 -7.695 -8.284 -2.913 1.00 0.00 H new ATOM 0 HA ILE B 72 -6.148 -9.053 -5.205 1.00 0.00 H new ATOM 0 HB ILE B 72 -5.740 -9.715 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE B 72 -4.637 -7.430 -3.937 1.00 0.00 H new ATOM 0 HG13 ILE B 72 -5.842 -7.283 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE B 72 -3.387 -10.063 -2.941 1.00 0.00 H new ATOM 0 HG22 ILE B 72 -4.486 -11.179 -3.787 1.00 0.00 H new ATOM 0 HG23 ILE B 72 -3.835 -9.757 -4.636 1.00 0.00 H new ATOM 0 HD11 ILE B 72 -3.631 -6.622 -1.857 1.00 0.00 H new ATOM 0 HD12 ILE B 72 -4.203 -8.073 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE B 72 -2.980 -8.223 -2.285 1.00 0.00 H new ATOM 1131 N LYS B 73 -7.039 -11.354 -5.578 1.00 0.00 N ATOM 1132 CA LYS B 73 -7.427 -12.732 -5.822 1.00 0.00 C ATOM 1133 C LYS B 73 -6.189 -13.586 -6.067 1.00 0.00 C ATOM 1134 O LYS B 73 -5.405 -13.307 -6.974 1.00 0.00 O ATOM 1135 CB LYS B 73 -8.367 -12.812 -7.028 1.00 0.00 C ATOM 1136 CG LYS B 73 -9.667 -12.044 -6.844 1.00 0.00 C ATOM 1137 CD LYS B 73 -10.509 -12.075 -8.108 1.00 0.00 C ATOM 1138 CE LYS B 73 -11.835 -11.351 -7.919 1.00 0.00 C ATOM 1139 NZ LYS B 73 -12.706 -12.035 -6.926 1.00 0.00 N ATOM 0 H LYS B 73 -6.821 -10.823 -6.421 1.00 0.00 H new ATOM 0 HA LYS B 73 -7.951 -13.110 -4.944 1.00 0.00 H new ATOM 0 HB2 LYS B 73 -7.849 -12.427 -7.907 1.00 0.00 H new ATOM 0 HB3 LYS B 73 -8.599 -13.858 -7.228 1.00 0.00 H new ATOM 0 HG2 LYS B 73 -10.232 -12.474 -6.017 1.00 0.00 H new ATOM 0 HG3 LYS B 73 -9.447 -11.011 -6.576 1.00 0.00 H new ATOM 0 HD2 LYS B 73 -9.955 -11.613 -8.925 1.00 0.00 H new ATOM 0 HD3 LYS B 73 -10.697 -13.110 -8.395 1.00 0.00 H new ATOM 0 HE2 LYS B 73 -11.646 -10.328 -7.592 1.00 0.00 H new ATOM 0 HE3 LYS B 73 -12.354 -11.290 -8.875 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 -13.670 -11.649 -6.985 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 -12.729 -13.055 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 -12.329 -11.880 -5.969 1.00 0.00 H new ATOM 1153 N GLY B 74 -6.007 -14.611 -5.251 1.00 0.00 N ATOM 1154 CA GLY B 74 -4.860 -15.482 -5.403 1.00 0.00 C ATOM 1155 C GLY B 74 -4.016 -15.549 -4.149 1.00 0.00 C ATOM 1156 O GLY B 74 -2.794 -15.693 -4.219 1.00 0.00 O ATOM 0 H GLY B 74 -6.634 -14.857 -4.485 1.00 0.00 H new ATOM 0 HA2 GLY B 74 -5.200 -16.484 -5.662 1.00 0.00 H new ATOM 0 HA3 GLY B 74 -4.247 -15.129 -6.232 1.00 0.00 H new ATOM 1160 N LEU B 75 -4.659 -15.424 -3.000 1.00 0.00 N ATOM 1161 CA LEU B 75 -3.966 -15.544 -1.730 1.00 0.00 C ATOM 1162 C LEU B 75 -4.259 -16.901 -1.100 1.00 0.00 C ATOM 1163 O LEU B 75 -5.409 -17.252 -0.869 1.00 0.00 O ATOM 1164 CB LEU B 75 -4.374 -14.412 -0.780 1.00 0.00 C ATOM 1165 CG LEU B 75 -4.006 -12.997 -1.249 1.00 0.00 C ATOM 1166 CD1 LEU B 75 -4.393 -11.972 -0.199 1.00 0.00 C ATOM 1167 CD2 LEU B 75 -2.521 -12.903 -1.558 1.00 0.00 C ATOM 0 H LEU B 75 -5.659 -15.240 -2.921 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.894 -15.465 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -5.452 -14.458 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -3.908 -14.588 0.190 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.561 -12.785 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -4.125 -10.975 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.468 -12.019 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -3.865 -12.186 0.730 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -2.281 -11.892 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -1.947 -13.137 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -2.268 -13.612 -2.346 1.00 0.00 H new ATOM 1179 N LYS B 76 -3.206 -17.659 -0.841 1.00 0.00 N ATOM 1180 CA LYS B 76 -3.330 -18.992 -0.261 1.00 0.00 C ATOM 1181 C LYS B 76 -3.764 -18.920 1.201 1.00 0.00 C ATOM 1182 O LYS B 76 -3.195 -18.155 1.981 1.00 0.00 O ATOM 1183 CB LYS B 76 -1.991 -19.720 -0.347 1.00 0.00 C ATOM 1184 CG LYS B 76 -1.422 -19.799 -1.748 1.00 0.00 C ATOM 1185 CD LYS B 76 -0.049 -20.442 -1.743 1.00 0.00 C ATOM 1186 CE LYS B 76 0.513 -20.566 -3.146 1.00 0.00 C ATOM 1187 NZ LYS B 76 -0.341 -21.421 -4.010 1.00 0.00 N ATOM 0 H LYS B 76 -2.245 -17.372 -1.025 1.00 0.00 H new ATOM 0 HA LYS B 76 -4.089 -19.534 -0.825 1.00 0.00 H new ATOM 0 HB2 LYS B 76 -1.272 -19.215 0.298 1.00 0.00 H new ATOM 0 HB3 LYS B 76 -2.113 -20.731 0.042 1.00 0.00 H new ATOM 0 HG2 LYS B 76 -2.094 -20.374 -2.385 1.00 0.00 H new ATOM 0 HG3 LYS B 76 -1.357 -18.798 -2.175 1.00 0.00 H new ATOM 0 HD2 LYS B 76 0.629 -19.849 -1.130 1.00 0.00 H new ATOM 0 HD3 LYS B 76 -0.111 -21.430 -1.286 1.00 0.00 H new ATOM 0 HE2 LYS B 76 0.602 -19.575 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS B 76 1.518 -20.986 -3.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 0.194 -21.704 -4.856 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 -0.629 -22.270 -3.482 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 -1.187 -20.889 -4.298 1.00 0.00 H new ATOM 1201 N PRO B 77 -4.777 -19.713 1.588 1.00 0.00 N ATOM 1202 CA PRO B 77 -5.217 -19.814 2.981 1.00 0.00 C ATOM 1203 C PRO B 77 -4.177 -20.515 3.852 1.00 0.00 C ATOM 1204 O PRO B 77 -3.656 -21.570 3.488 1.00 0.00 O ATOM 1205 CB PRO B 77 -6.500 -20.653 2.908 1.00 0.00 C ATOM 1206 CG PRO B 77 -6.875 -20.680 1.464 1.00 0.00 C ATOM 1207 CD PRO B 77 -5.589 -20.561 0.706 1.00 0.00 C ATOM 0 HA PRO B 77 -5.370 -18.833 3.430 1.00 0.00 H new ATOM 0 HB2 PRO B 77 -6.333 -21.660 3.289 1.00 0.00 H new ATOM 0 HB3 PRO B 77 -7.293 -20.211 3.512 1.00 0.00 H new ATOM 0 HG2 PRO B 77 -7.393 -21.605 1.212 1.00 0.00 H new ATOM 0 HG3 PRO B 77 -7.550 -19.860 1.220 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -5.125 -21.533 0.538 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -5.736 -20.105 -0.273 1.00 0.00 H new ATOM 1215 N GLY B 78 -3.871 -19.925 4.997 1.00 0.00 N ATOM 1216 CA GLY B 78 -2.901 -20.510 5.901 1.00 0.00 C ATOM 1217 C GLY B 78 -1.508 -19.961 5.679 1.00 0.00 C ATOM 1218 O GLY B 78 -0.531 -20.485 6.216 1.00 0.00 O ATOM 0 H GLY B 78 -4.279 -19.047 5.318 1.00 0.00 H new ATOM 0 HA2 GLY B 78 -3.205 -20.319 6.930 1.00 0.00 H new ATOM 0 HA3 GLY B 78 -2.889 -21.592 5.768 1.00 0.00 H new ATOM 1222 N VAL B 79 -1.420 -18.906 4.886 1.00 0.00 N ATOM 1223 CA VAL B 79 -0.145 -18.285 4.570 1.00 0.00 C ATOM 1224 C VAL B 79 -0.139 -16.829 5.035 1.00 0.00 C ATOM 1225 O VAL B 79 -1.148 -16.133 4.929 1.00 0.00 O ATOM 1226 CB VAL B 79 0.144 -18.346 3.050 1.00 0.00 C ATOM 1227 CG1 VAL B 79 1.491 -17.735 2.714 1.00 0.00 C ATOM 1228 CG2 VAL B 79 0.095 -19.778 2.549 1.00 0.00 C ATOM 0 H VAL B 79 -2.224 -18.459 4.446 1.00 0.00 H new ATOM 0 HA VAL B 79 0.636 -18.837 5.093 1.00 0.00 H new ATOM 0 HB VAL B 79 -0.632 -17.765 2.551 1.00 0.00 H new ATOM 0 HG11 VAL B 79 1.660 -17.795 1.639 1.00 0.00 H new ATOM 0 HG12 VAL B 79 1.505 -16.690 3.025 1.00 0.00 H new ATOM 0 HG13 VAL B 79 2.278 -18.279 3.236 1.00 0.00 H new ATOM 0 HG21 VAL B 79 0.301 -19.796 1.479 1.00 0.00 H new ATOM 0 HG22 VAL B 79 0.843 -20.373 3.073 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -0.895 -20.195 2.735 1.00 0.00 H new ATOM 1238 N VAL B 80 0.991 -16.387 5.568 1.00 0.00 N ATOM 1239 CA VAL B 80 1.144 -15.003 5.999 1.00 0.00 C ATOM 1240 C VAL B 80 1.779 -14.182 4.883 1.00 0.00 C ATOM 1241 O VAL B 80 2.670 -14.664 4.182 1.00 0.00 O ATOM 1242 CB VAL B 80 2.013 -14.898 7.273 1.00 0.00 C ATOM 1243 CG1 VAL B 80 2.060 -13.466 7.784 1.00 0.00 C ATOM 1244 CG2 VAL B 80 1.497 -15.836 8.353 1.00 0.00 C ATOM 0 H VAL B 80 1.817 -16.967 5.713 1.00 0.00 H new ATOM 0 HA VAL B 80 0.152 -14.614 6.230 1.00 0.00 H new ATOM 0 HB VAL B 80 3.029 -15.197 7.014 1.00 0.00 H new ATOM 0 HG11 VAL B 80 2.678 -13.420 8.681 1.00 0.00 H new ATOM 0 HG12 VAL B 80 2.486 -12.820 7.016 1.00 0.00 H new ATOM 0 HG13 VAL B 80 1.050 -13.131 8.021 1.00 0.00 H new ATOM 0 HG21 VAL B 80 2.122 -15.747 9.241 1.00 0.00 H new ATOM 0 HG22 VAL B 80 0.470 -15.572 8.604 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.529 -16.863 7.989 1.00 0.00 H new ATOM 1254 N TYR B 81 1.316 -12.953 4.705 1.00 0.00 N ATOM 1255 CA TYR B 81 1.806 -12.104 3.627 1.00 0.00 C ATOM 1256 C TYR B 81 2.272 -10.755 4.149 1.00 0.00 C ATOM 1257 O TYR B 81 1.780 -10.263 5.169 1.00 0.00 O ATOM 1258 CB TYR B 81 0.711 -11.877 2.581 1.00 0.00 C ATOM 1259 CG TYR B 81 0.292 -13.126 1.844 1.00 0.00 C ATOM 1260 CD1 TYR B 81 -0.532 -14.064 2.446 1.00 0.00 C ATOM 1261 CD2 TYR B 81 0.719 -13.364 0.546 1.00 0.00 C ATOM 1262 CE1 TYR B 81 -0.916 -15.204 1.780 1.00 0.00 C ATOM 1263 CE2 TYR B 81 0.337 -14.504 -0.129 1.00 0.00 C ATOM 1264 CZ TYR B 81 -0.478 -15.421 0.495 1.00 0.00 C ATOM 1265 OH TYR B 81 -0.864 -16.558 -0.166 1.00 0.00 O ATOM 0 H TYR B 81 0.602 -12.521 5.292 1.00 0.00 H new ATOM 0 HA TYR B 81 2.652 -12.619 3.172 1.00 0.00 H new ATOM 0 HB2 TYR B 81 -0.162 -11.448 3.073 1.00 0.00 H new ATOM 0 HB3 TYR B 81 1.062 -11.142 1.857 1.00 0.00 H new ATOM 0 HD1 TYR B 81 -0.878 -13.897 3.455 1.00 0.00 H new ATOM 0 HD2 TYR B 81 1.360 -12.646 0.057 1.00 0.00 H new ATOM 0 HE1 TYR B 81 -1.558 -15.925 2.264 1.00 0.00 H new ATOM 0 HE2 TYR B 81 0.675 -14.676 -1.140 1.00 0.00 H new ATOM 0 HH TYR B 81 -0.472 -16.563 -1.064 1.00 0.00 H new ATOM 1275 N GLU B 82 3.229 -10.172 3.448 1.00 0.00 N ATOM 1276 CA GLU B 82 3.643 -8.802 3.695 1.00 0.00 C ATOM 1277 C GLU B 82 3.061 -7.912 2.609 1.00 0.00 C ATOM 1278 O GLU B 82 3.056 -8.291 1.439 1.00 0.00 O ATOM 1279 CB GLU B 82 5.165 -8.677 3.684 1.00 0.00 C ATOM 1280 CG GLU B 82 5.867 -9.562 4.693 1.00 0.00 C ATOM 1281 CD GLU B 82 7.359 -9.313 4.737 1.00 0.00 C ATOM 1282 OE1 GLU B 82 7.854 -8.841 5.783 1.00 0.00 O ATOM 1283 OE2 GLU B 82 8.045 -9.582 3.730 1.00 0.00 O ATOM 0 H GLU B 82 3.739 -10.633 2.694 1.00 0.00 H new ATOM 0 HA GLU B 82 3.281 -8.498 4.677 1.00 0.00 H new ATOM 0 HB2 GLU B 82 5.531 -8.920 2.687 1.00 0.00 H new ATOM 0 HB3 GLU B 82 5.435 -7.639 3.878 1.00 0.00 H new ATOM 0 HG2 GLU B 82 5.443 -9.389 5.682 1.00 0.00 H new ATOM 0 HG3 GLU B 82 5.683 -10.608 4.446 1.00 0.00 H new ATOM 1290 N GLY B 83 2.568 -6.746 2.989 1.00 0.00 N ATOM 1291 CA GLY B 83 1.961 -5.863 2.019 1.00 0.00 C ATOM 1292 C GLY B 83 2.533 -4.462 2.060 1.00 0.00 C ATOM 1293 O GLY B 83 2.818 -3.924 3.133 1.00 0.00 O ATOM 0 H GLY B 83 2.577 -6.396 3.947 1.00 0.00 H new ATOM 0 HA2 GLY B 83 2.100 -6.278 1.021 1.00 0.00 H new ATOM 0 HA3 GLY B 83 0.887 -5.817 2.199 1.00 0.00 H new ATOM 1297 N GLN B 84 2.709 -3.877 0.886 1.00 0.00 N ATOM 1298 CA GLN B 84 3.172 -2.502 0.766 1.00 0.00 C ATOM 1299 C GLN B 84 2.205 -1.694 -0.088 1.00 0.00 C ATOM 1300 O GLN B 84 1.965 -2.033 -1.247 1.00 0.00 O ATOM 1301 CB GLN B 84 4.562 -2.445 0.127 1.00 0.00 C ATOM 1302 CG GLN B 84 5.658 -3.105 0.943 1.00 0.00 C ATOM 1303 CD GLN B 84 7.009 -3.014 0.260 1.00 0.00 C ATOM 1304 OE1 GLN B 84 7.761 -2.062 0.464 1.00 0.00 O ATOM 1305 NE2 GLN B 84 7.319 -3.998 -0.569 1.00 0.00 N ATOM 0 H GLN B 84 2.536 -4.338 -0.007 1.00 0.00 H new ATOM 0 HA GLN B 84 3.223 -2.080 1.770 1.00 0.00 H new ATOM 0 HB2 GLN B 84 4.518 -2.923 -0.852 1.00 0.00 H new ATOM 0 HB3 GLN B 84 4.829 -1.401 -0.039 1.00 0.00 H new ATOM 0 HG2 GLN B 84 5.715 -2.632 1.923 1.00 0.00 H new ATOM 0 HG3 GLN B 84 5.406 -4.152 1.109 1.00 0.00 H new ATOM 0 HE21 GLN B 84 6.667 -4.770 -0.711 1.00 0.00 H new ATOM 0 HE22 GLN B 84 8.209 -3.984 -1.066 1.00 0.00 H new ATOM 1314 N LEU B 85 1.644 -0.642 0.489 1.00 0.00 N ATOM 1315 CA LEU B 85 0.799 0.275 -0.260 1.00 0.00 C ATOM 1316 C LEU B 85 1.613 1.515 -0.613 1.00 0.00 C ATOM 1317 O LEU B 85 1.879 2.361 0.240 1.00 0.00 O ATOM 1318 CB LEU B 85 -0.450 0.643 0.565 1.00 0.00 C ATOM 1319 CG LEU B 85 -1.582 1.372 -0.186 1.00 0.00 C ATOM 1320 CD1 LEU B 85 -1.235 2.827 -0.449 1.00 0.00 C ATOM 1321 CD2 LEU B 85 -1.898 0.666 -1.496 1.00 0.00 C ATOM 0 H LEU B 85 1.759 -0.402 1.474 1.00 0.00 H new ATOM 0 HA LEU B 85 0.457 -0.199 -1.180 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -0.859 -0.273 0.992 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -0.135 1.270 1.399 1.00 0.00 H new ATOM 0 HG LEU B 85 -2.464 1.347 0.453 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -2.057 3.307 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -1.068 3.338 0.499 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -0.331 2.882 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -2.699 1.196 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -1.009 0.653 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -2.213 -0.357 -1.291 1.00 0.00 H new ATOM 1333 N ILE B 86 2.034 1.598 -1.864 1.00 0.00 N ATOM 1334 CA ILE B 86 2.849 2.714 -2.324 1.00 0.00 C ATOM 1335 C ILE B 86 2.006 3.692 -3.125 1.00 0.00 C ATOM 1336 O ILE B 86 1.587 3.393 -4.240 1.00 0.00 O ATOM 1337 CB ILE B 86 4.010 2.232 -3.212 1.00 0.00 C ATOM 1338 CG1 ILE B 86 4.690 1.022 -2.574 1.00 0.00 C ATOM 1339 CG2 ILE B 86 5.016 3.362 -3.429 1.00 0.00 C ATOM 1340 CD1 ILE B 86 5.372 0.123 -3.575 1.00 0.00 C ATOM 0 H ILE B 86 1.825 0.905 -2.582 1.00 0.00 H new ATOM 0 HA ILE B 86 3.254 3.204 -1.438 1.00 0.00 H new ATOM 0 HB ILE B 86 3.613 1.936 -4.183 1.00 0.00 H new ATOM 0 HG12 ILE B 86 5.425 1.368 -1.848 1.00 0.00 H new ATOM 0 HG13 ILE B 86 3.947 0.444 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE B 86 5.832 3.007 -4.059 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.520 4.202 -3.916 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.414 3.684 -2.467 1.00 0.00 H new ATOM 0 HD11 ILE B 86 5.834 -0.716 -3.055 1.00 0.00 H new ATOM 0 HD12 ILE B 86 4.637 -0.252 -4.287 1.00 0.00 H new ATOM 0 HD13 ILE B 86 6.138 0.687 -4.107 1.00 0.00 H new ATOM 1352 N SER B 87 1.749 4.850 -2.555 1.00 0.00 N ATOM 1353 CA SER B 87 0.971 5.865 -3.238 1.00 0.00 C ATOM 1354 C SER B 87 1.878 6.812 -4.010 1.00 0.00 C ATOM 1355 O SER B 87 2.764 7.446 -3.433 1.00 0.00 O ATOM 1356 CB SER B 87 0.134 6.647 -2.231 1.00 0.00 C ATOM 1357 OG SER B 87 -0.696 5.775 -1.491 1.00 0.00 O ATOM 0 H SER B 87 2.066 5.113 -1.622 1.00 0.00 H new ATOM 0 HA SER B 87 0.307 5.371 -3.947 1.00 0.00 H new ATOM 0 HB2 SER B 87 0.789 7.196 -1.554 1.00 0.00 H new ATOM 0 HB3 SER B 87 -0.477 7.384 -2.752 1.00 0.00 H new ATOM 0 HG SER B 87 -0.149 5.255 -0.865 1.00 0.00 H new ATOM 1363 N ILE B 88 1.673 6.878 -5.318 1.00 0.00 N ATOM 1364 CA ILE B 88 2.376 7.838 -6.154 1.00 0.00 C ATOM 1365 C ILE B 88 1.511 9.077 -6.300 1.00 0.00 C ATOM 1366 O ILE B 88 0.458 9.032 -6.940 1.00 0.00 O ATOM 1367 CB ILE B 88 2.689 7.273 -7.557 1.00 0.00 C ATOM 1368 CG1 ILE B 88 3.395 5.917 -7.453 1.00 0.00 C ATOM 1369 CG2 ILE B 88 3.540 8.260 -8.353 1.00 0.00 C ATOM 1370 CD1 ILE B 88 4.717 5.959 -6.719 1.00 0.00 C ATOM 0 H ILE B 88 1.023 6.276 -5.823 1.00 0.00 H new ATOM 0 HA ILE B 88 3.326 8.072 -5.674 1.00 0.00 H new ATOM 0 HB ILE B 88 1.746 7.126 -8.083 1.00 0.00 H new ATOM 0 HG12 ILE B 88 2.734 5.214 -6.947 1.00 0.00 H new ATOM 0 HG13 ILE B 88 3.563 5.530 -8.458 1.00 0.00 H new ATOM 0 HG21 ILE B 88 3.751 7.846 -9.339 1.00 0.00 H new ATOM 0 HG22 ILE B 88 3.000 9.200 -8.463 1.00 0.00 H new ATOM 0 HG23 ILE B 88 4.477 8.439 -7.826 1.00 0.00 H new ATOM 0 HD11 ILE B 88 5.149 4.959 -6.691 1.00 0.00 H new ATOM 0 HD12 ILE B 88 5.399 6.635 -7.236 1.00 0.00 H new ATOM 0 HD13 ILE B 88 4.557 6.314 -5.701 1.00 0.00 H new ATOM 1382 N GLN B 89 1.932 10.165 -5.686 1.00 0.00 N ATOM 1383 CA GLN B 89 1.127 11.371 -5.670 1.00 0.00 C ATOM 1384 C GLN B 89 1.535 12.346 -6.764 1.00 0.00 C ATOM 1385 O GLN B 89 2.632 12.242 -7.311 1.00 0.00 O ATOM 1386 CB GLN B 89 1.210 12.042 -4.302 1.00 0.00 C ATOM 1387 CG GLN B 89 0.634 11.187 -3.190 1.00 0.00 C ATOM 1388 CD GLN B 89 0.661 11.877 -1.850 1.00 0.00 C ATOM 1389 OE1 GLN B 89 -0.274 12.591 -1.497 1.00 0.00 O ATOM 1390 NE2 GLN B 89 1.724 11.659 -1.093 1.00 0.00 N ATOM 0 H GLN B 89 2.822 10.239 -5.194 1.00 0.00 H new ATOM 0 HA GLN B 89 0.095 11.078 -5.865 1.00 0.00 H new ATOM 0 HB2 GLN B 89 2.252 12.269 -4.077 1.00 0.00 H new ATOM 0 HB3 GLN B 89 0.677 12.992 -4.336 1.00 0.00 H new ATOM 0 HG2 GLN B 89 -0.394 10.922 -3.437 1.00 0.00 H new ATOM 0 HG3 GLN B 89 1.196 10.255 -3.125 1.00 0.00 H new ATOM 0 HE21 GLN B 89 2.476 11.058 -1.430 1.00 0.00 H new ATOM 0 HE22 GLN B 89 1.792 12.092 -0.172 1.00 0.00 H new ATOM 1399 N GLN B 90 0.646 13.284 -7.067 1.00 0.00 N ATOM 1400 CA GLN B 90 0.853 14.262 -8.133 1.00 0.00 C ATOM 1401 C GLN B 90 2.238 14.904 -8.058 1.00 0.00 C ATOM 1402 O GLN B 90 2.942 15.012 -9.060 1.00 0.00 O ATOM 1403 CB GLN B 90 -0.216 15.352 -8.040 1.00 0.00 C ATOM 1404 CG GLN B 90 -0.071 16.441 -9.089 1.00 0.00 C ATOM 1405 CD GLN B 90 -0.943 17.652 -8.816 1.00 0.00 C ATOM 1406 OE1 GLN B 90 -0.592 18.772 -9.180 1.00 0.00 O ATOM 1407 NE2 GLN B 90 -2.082 17.440 -8.178 1.00 0.00 N ATOM 0 H GLN B 90 -0.244 13.390 -6.579 1.00 0.00 H new ATOM 0 HA GLN B 90 0.779 13.736 -9.085 1.00 0.00 H new ATOM 0 HB2 GLN B 90 -1.200 14.893 -8.139 1.00 0.00 H new ATOM 0 HB3 GLN B 90 -0.174 15.806 -7.050 1.00 0.00 H new ATOM 0 HG2 GLN B 90 0.972 16.755 -9.136 1.00 0.00 H new ATOM 0 HG3 GLN B 90 -0.325 16.031 -10.067 1.00 0.00 H new ATOM 0 HE21 GLN B 90 -2.338 16.495 -7.892 1.00 0.00 H new ATOM 0 HE22 GLN B 90 -2.704 18.222 -7.972 1.00 0.00 H new ATOM 1416 N TYR B 91 2.634 15.293 -6.857 1.00 0.00 N ATOM 1417 CA TYR B 91 3.868 16.042 -6.661 1.00 0.00 C ATOM 1418 C TYR B 91 5.093 15.124 -6.645 1.00 0.00 C ATOM 1419 O TYR B 91 6.199 15.560 -6.332 1.00 0.00 O ATOM 1420 CB TYR B 91 3.784 16.838 -5.355 1.00 0.00 C ATOM 1421 CG TYR B 91 2.573 17.746 -5.268 1.00 0.00 C ATOM 1422 CD1 TYR B 91 2.635 19.066 -5.697 1.00 0.00 C ATOM 1423 CD2 TYR B 91 1.367 17.282 -4.752 1.00 0.00 C ATOM 1424 CE1 TYR B 91 1.533 19.897 -5.613 1.00 0.00 C ATOM 1425 CE2 TYR B 91 0.262 18.105 -4.669 1.00 0.00 C ATOM 1426 CZ TYR B 91 0.350 19.411 -5.098 1.00 0.00 C ATOM 1427 OH TYR B 91 -0.750 20.232 -5.004 1.00 0.00 O ATOM 0 H TYR B 91 2.117 15.102 -5.999 1.00 0.00 H new ATOM 0 HA TYR B 91 3.985 16.727 -7.501 1.00 0.00 H new ATOM 0 HB2 TYR B 91 3.765 16.142 -4.517 1.00 0.00 H new ATOM 0 HB3 TYR B 91 4.686 17.440 -5.249 1.00 0.00 H new ATOM 0 HD1 TYR B 91 3.559 19.449 -6.103 1.00 0.00 H new ATOM 0 HD2 TYR B 91 1.294 16.260 -4.410 1.00 0.00 H new ATOM 0 HE1 TYR B 91 1.599 20.921 -5.949 1.00 0.00 H new ATOM 0 HE2 TYR B 91 -0.667 17.727 -4.270 1.00 0.00 H new ATOM 0 HH TYR B 91 -1.500 19.731 -4.620 1.00 0.00 H new ATOM 1437 N GLY B 92 4.892 13.853 -6.978 1.00 0.00 N ATOM 1438 CA GLY B 92 5.993 12.907 -7.021 1.00 0.00 C ATOM 1439 C GLY B 92 6.275 12.284 -5.670 1.00 0.00 C ATOM 1440 O GLY B 92 7.216 11.504 -5.518 1.00 0.00 O ATOM 0 H GLY B 92 3.982 13.460 -7.220 1.00 0.00 H new ATOM 0 HA2 GLY B 92 5.764 12.120 -7.740 1.00 0.00 H new ATOM 0 HA3 GLY B 92 6.890 13.414 -7.378 1.00 0.00 H new ATOM 1444 N HIS B 93 5.455 12.629 -4.687 1.00 0.00 N ATOM 1445 CA HIS B 93 5.595 12.089 -3.340 1.00 0.00 C ATOM 1446 C HIS B 93 5.199 10.617 -3.329 1.00 0.00 C ATOM 1447 O HIS B 93 4.069 10.277 -3.679 1.00 0.00 O ATOM 1448 CB HIS B 93 4.701 12.869 -2.368 1.00 0.00 C ATOM 1449 CG HIS B 93 5.421 13.434 -1.180 1.00 0.00 C ATOM 1450 ND1 HIS B 93 5.559 12.763 0.013 1.00 0.00 N ATOM 1451 CD2 HIS B 93 6.021 14.633 -1.001 1.00 0.00 C ATOM 1452 CE1 HIS B 93 6.208 13.523 0.871 1.00 0.00 C ATOM 1453 NE2 HIS B 93 6.502 14.664 0.281 1.00 0.00 N ATOM 0 H HIS B 93 4.681 13.284 -4.797 1.00 0.00 H new ATOM 0 HA HIS B 93 6.635 12.185 -3.027 1.00 0.00 H new ATOM 0 HB2 HIS B 93 4.223 13.685 -2.909 1.00 0.00 H new ATOM 0 HB3 HIS B 93 3.907 12.211 -2.017 1.00 0.00 H new ATOM 0 HD1 HIS B 93 5.212 11.823 0.204 1.00 0.00 H new ATOM 0 HD2 HIS B 93 6.105 15.421 -1.734 1.00 0.00 H new ATOM 0 HE1 HIS B 93 6.457 13.256 1.887 1.00 0.00 H new ATOM 1462 N GLN B 94 6.126 9.749 -2.950 1.00 0.00 N ATOM 1463 CA GLN B 94 5.830 8.327 -2.852 1.00 0.00 C ATOM 1464 C GLN B 94 5.678 7.933 -1.396 1.00 0.00 C ATOM 1465 O GLN B 94 6.614 8.064 -0.610 1.00 0.00 O ATOM 1466 CB GLN B 94 6.941 7.489 -3.487 1.00 0.00 C ATOM 1467 CG GLN B 94 7.170 7.778 -4.959 1.00 0.00 C ATOM 1468 CD GLN B 94 8.303 6.958 -5.542 1.00 0.00 C ATOM 1469 OE1 GLN B 94 9.244 6.586 -4.839 1.00 0.00 O ATOM 1470 NE2 GLN B 94 8.229 6.677 -6.833 1.00 0.00 N ATOM 0 H GLN B 94 7.084 10.002 -2.707 1.00 0.00 H new ATOM 0 HA GLN B 94 4.900 8.137 -3.388 1.00 0.00 H new ATOM 0 HB2 GLN B 94 7.870 7.665 -2.944 1.00 0.00 H new ATOM 0 HB3 GLN B 94 6.698 6.433 -3.368 1.00 0.00 H new ATOM 0 HG2 GLN B 94 6.254 7.572 -5.513 1.00 0.00 H new ATOM 0 HG3 GLN B 94 7.389 8.838 -5.088 1.00 0.00 H new ATOM 0 HE21 GLN B 94 7.433 7.003 -7.381 1.00 0.00 H new ATOM 0 HE22 GLN B 94 8.968 6.134 -7.280 1.00 0.00 H new ATOM 1479 N GLU B 95 4.510 7.433 -1.045 1.00 0.00 N ATOM 1480 CA GLU B 95 4.237 7.053 0.328 1.00 0.00 C ATOM 1481 C GLU B 95 4.034 5.555 0.431 1.00 0.00 C ATOM 1482 O GLU B 95 3.086 5.012 -0.134 1.00 0.00 O ATOM 1483 CB GLU B 95 3.004 7.789 0.851 1.00 0.00 C ATOM 1484 CG GLU B 95 3.145 9.300 0.811 1.00 0.00 C ATOM 1485 CD GLU B 95 4.422 9.773 1.469 1.00 0.00 C ATOM 1486 OE1 GLU B 95 4.559 9.616 2.701 1.00 0.00 O ATOM 1487 OE2 GLU B 95 5.300 10.305 0.761 1.00 0.00 O ATOM 0 H GLU B 95 3.735 7.280 -1.690 1.00 0.00 H new ATOM 0 HA GLU B 95 5.095 7.332 0.939 1.00 0.00 H new ATOM 0 HB2 GLU B 95 2.137 7.496 0.260 1.00 0.00 H new ATOM 0 HB3 GLU B 95 2.811 7.476 1.877 1.00 0.00 H new ATOM 0 HG2 GLU B 95 3.126 9.638 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU B 95 2.290 9.756 1.311 1.00 0.00 H new ATOM 1494 N VAL B 96 4.936 4.889 1.133 1.00 0.00 N ATOM 1495 CA VAL B 96 4.834 3.453 1.317 1.00 0.00 C ATOM 1496 C VAL B 96 4.271 3.143 2.693 1.00 0.00 C ATOM 1497 O VAL B 96 4.958 3.289 3.705 1.00 0.00 O ATOM 1498 CB VAL B 96 6.204 2.757 1.163 1.00 0.00 C ATOM 1499 CG1 VAL B 96 6.048 1.240 1.198 1.00 0.00 C ATOM 1500 CG2 VAL B 96 6.889 3.204 -0.120 1.00 0.00 C ATOM 0 H VAL B 96 5.744 5.319 1.583 1.00 0.00 H new ATOM 0 HA VAL B 96 4.167 3.072 0.544 1.00 0.00 H new ATOM 0 HB VAL B 96 6.833 3.049 2.004 1.00 0.00 H new ATOM 0 HG11 VAL B 96 7.026 0.771 1.088 1.00 0.00 H new ATOM 0 HG12 VAL B 96 5.607 0.941 2.149 1.00 0.00 H new ATOM 0 HG13 VAL B 96 5.399 0.922 0.382 1.00 0.00 H new ATOM 0 HG21 VAL B 96 7.853 2.703 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL B 96 6.264 2.947 -0.975 1.00 0.00 H new ATOM 0 HG23 VAL B 96 7.042 4.283 -0.094 1.00 0.00 H new ATOM 1510 N THR B 97 3.026 2.725 2.727 1.00 0.00 N ATOM 1511 CA THR B 97 2.395 2.328 3.965 1.00 0.00 C ATOM 1512 C THR B 97 2.355 0.809 4.048 1.00 0.00 C ATOM 1513 O THR B 97 1.662 0.151 3.271 1.00 0.00 O ATOM 1514 CB THR B 97 0.971 2.903 4.072 1.00 0.00 C ATOM 1515 OG1 THR B 97 1.009 4.324 3.865 1.00 0.00 O ATOM 1516 CG2 THR B 97 0.365 2.607 5.435 1.00 0.00 C ATOM 0 H THR B 97 2.427 2.651 1.905 1.00 0.00 H new ATOM 0 HA THR B 97 2.979 2.725 4.796 1.00 0.00 H new ATOM 0 HB THR B 97 0.352 2.432 3.308 1.00 0.00 H new ATOM 0 HG1 THR B 97 0.207 4.733 4.252 1.00 0.00 H new ATOM 0 HG21 THR B 97 -0.641 3.024 5.484 1.00 0.00 H new ATOM 0 HG22 THR B 97 0.319 1.529 5.586 1.00 0.00 H new ATOM 0 HG23 THR B 97 0.982 3.056 6.213 1.00 0.00 H new ATOM 1524 N ARG B 98 3.127 0.252 4.966 1.00 0.00 N ATOM 1525 CA ARG B 98 3.231 -1.190 5.077 1.00 0.00 C ATOM 1526 C ARG B 98 2.103 -1.763 5.914 1.00 0.00 C ATOM 1527 O ARG B 98 1.595 -1.117 6.837 1.00 0.00 O ATOM 1528 CB ARG B 98 4.576 -1.609 5.670 1.00 0.00 C ATOM 1529 CG ARG B 98 5.757 -1.369 4.749 1.00 0.00 C ATOM 1530 CD ARG B 98 6.994 -2.095 5.253 1.00 0.00 C ATOM 1531 NE ARG B 98 8.093 -2.046 4.292 1.00 0.00 N ATOM 1532 CZ ARG B 98 8.982 -3.027 4.126 1.00 0.00 C ATOM 1533 NH1 ARG B 98 8.901 -4.138 4.850 1.00 0.00 N ATOM 1534 NH2 ARG B 98 9.952 -2.902 3.230 1.00 0.00 N ATOM 0 H ARG B 98 3.687 0.774 5.640 1.00 0.00 H new ATOM 0 HA ARG B 98 3.155 -1.591 4.066 1.00 0.00 H new ATOM 0 HB2 ARG B 98 4.737 -1.064 6.600 1.00 0.00 H new ATOM 0 HB3 ARG B 98 4.536 -2.668 5.924 1.00 0.00 H new ATOM 0 HG2 ARG B 98 5.514 -1.711 3.743 1.00 0.00 H new ATOM 0 HG3 ARG B 98 5.960 -0.300 4.682 1.00 0.00 H new ATOM 0 HD2 ARG B 98 7.316 -1.649 6.194 1.00 0.00 H new ATOM 0 HD3 ARG B 98 6.743 -3.135 5.462 1.00 0.00 H new ATOM 0 HE ARG B 98 8.186 -1.212 3.713 1.00 0.00 H new ATOM 0 HH11 ARG B 98 8.156 -4.245 5.538 1.00 0.00 H new ATOM 0 HH12 ARG B 98 9.584 -4.884 4.718 1.00 0.00 H new ATOM 0 HH21 ARG B 98 10.019 -2.055 2.666 1.00 0.00 H new ATOM 0 HH22 ARG B 98 10.631 -3.653 3.105 1.00 0.00 H new ATOM 1548 N PHE B 99 1.711 -2.976 5.568 1.00 0.00 N ATOM 1549 CA PHE B 99 0.714 -3.709 6.318 1.00 0.00 C ATOM 1550 C PHE B 99 1.042 -5.194 6.280 1.00 0.00 C ATOM 1551 O PHE B 99 1.915 -5.628 5.522 1.00 0.00 O ATOM 1552 CB PHE B 99 -0.697 -3.445 5.768 1.00 0.00 C ATOM 1553 CG PHE B 99 -0.904 -3.837 4.329 1.00 0.00 C ATOM 1554 CD1 PHE B 99 -1.418 -5.082 4.003 1.00 0.00 C ATOM 1555 CD2 PHE B 99 -0.601 -2.953 3.305 1.00 0.00 C ATOM 1556 CE1 PHE B 99 -1.626 -5.438 2.684 1.00 0.00 C ATOM 1557 CE2 PHE B 99 -0.804 -3.305 1.984 1.00 0.00 C ATOM 1558 CZ PHE B 99 -1.316 -4.549 1.674 1.00 0.00 C ATOM 0 H PHE B 99 2.076 -3.478 4.759 1.00 0.00 H new ATOM 0 HA PHE B 99 0.729 -3.367 7.353 1.00 0.00 H new ATOM 0 HB2 PHE B 99 -1.417 -3.985 6.383 1.00 0.00 H new ATOM 0 HB3 PHE B 99 -0.919 -2.383 5.875 1.00 0.00 H new ATOM 0 HD1 PHE B 99 -1.659 -5.782 4.789 1.00 0.00 H new ATOM 0 HD2 PHE B 99 -0.202 -1.978 3.542 1.00 0.00 H new ATOM 0 HE1 PHE B 99 -2.030 -6.410 2.444 1.00 0.00 H new ATOM 0 HE2 PHE B 99 -0.562 -2.608 1.195 1.00 0.00 H new ATOM 0 HZ PHE B 99 -1.474 -4.827 0.642 1.00 0.00 H new ATOM 1568 N ASP B 100 0.364 -5.961 7.109 1.00 0.00 N ATOM 1569 CA ASP B 100 0.557 -7.402 7.147 1.00 0.00 C ATOM 1570 C ASP B 100 -0.768 -8.089 6.897 1.00 0.00 C ATOM 1571 O ASP B 100 -1.822 -7.552 7.237 1.00 0.00 O ATOM 1572 CB ASP B 100 1.120 -7.853 8.498 1.00 0.00 C ATOM 1573 CG ASP B 100 2.500 -7.295 8.780 1.00 0.00 C ATOM 1574 OD1 ASP B 100 3.491 -7.851 8.259 1.00 0.00 O ATOM 1575 OD2 ASP B 100 2.604 -6.308 9.536 1.00 0.00 O ATOM 0 H ASP B 100 -0.330 -5.611 7.770 1.00 0.00 H new ATOM 0 HA ASP B 100 1.275 -7.674 6.373 1.00 0.00 H new ATOM 0 HB2 ASP B 100 0.440 -7.543 9.291 1.00 0.00 H new ATOM 0 HB3 ASP B 100 1.162 -8.942 8.523 1.00 0.00 H new ATOM 1580 N PHE B 101 -0.725 -9.270 6.310 1.00 0.00 N ATOM 1581 CA PHE B 101 -1.941 -10.018 6.066 1.00 0.00 C ATOM 1582 C PHE B 101 -1.821 -11.435 6.597 1.00 0.00 C ATOM 1583 O PHE B 101 -0.807 -12.107 6.408 1.00 0.00 O ATOM 1584 CB PHE B 101 -2.289 -10.040 4.574 1.00 0.00 C ATOM 1585 CG PHE B 101 -3.378 -11.021 4.236 1.00 0.00 C ATOM 1586 CD1 PHE B 101 -4.659 -10.854 4.737 1.00 0.00 C ATOM 1587 CD2 PHE B 101 -3.116 -12.120 3.435 1.00 0.00 C ATOM 1588 CE1 PHE B 101 -5.656 -11.763 4.444 1.00 0.00 C ATOM 1589 CE2 PHE B 101 -4.110 -13.031 3.136 1.00 0.00 C ATOM 1590 CZ PHE B 101 -5.381 -12.853 3.643 1.00 0.00 C ATOM 0 H PHE B 101 0.131 -9.728 5.996 1.00 0.00 H new ATOM 0 HA PHE B 101 -2.748 -9.514 6.598 1.00 0.00 H new ATOM 0 HB2 PHE B 101 -2.599 -9.042 4.265 1.00 0.00 H new ATOM 0 HB3 PHE B 101 -1.395 -10.288 4.002 1.00 0.00 H new ATOM 0 HD1 PHE B 101 -4.880 -10.003 5.364 1.00 0.00 H new ATOM 0 HD2 PHE B 101 -2.122 -12.266 3.039 1.00 0.00 H new ATOM 0 HE1 PHE B 101 -6.650 -11.621 4.841 1.00 0.00 H new ATOM 0 HE2 PHE B 101 -3.893 -13.881 2.506 1.00 0.00 H new ATOM 0 HZ PHE B 101 -6.159 -13.566 3.413 1.00 0.00 H new ATOM 1600 N THR B 102 -2.876 -11.866 7.264 1.00 0.00 N ATOM 1601 CA THR B 102 -2.986 -13.215 7.774 1.00 0.00 C ATOM 1602 C THR B 102 -4.369 -13.762 7.447 1.00 0.00 C ATOM 1603 O THR B 102 -5.360 -13.032 7.510 1.00 0.00 O ATOM 1604 CB THR B 102 -2.754 -13.236 9.296 1.00 0.00 C ATOM 1605 OG1 THR B 102 -3.369 -12.084 9.893 1.00 0.00 O ATOM 1606 CG2 THR B 102 -1.267 -13.249 9.616 1.00 0.00 C ATOM 0 H THR B 102 -3.687 -11.282 7.467 1.00 0.00 H new ATOM 0 HA THR B 102 -2.226 -13.839 7.304 1.00 0.00 H new ATOM 0 HB THR B 102 -3.202 -14.143 9.703 1.00 0.00 H new ATOM 0 HG1 THR B 102 -3.944 -12.367 10.634 1.00 0.00 H new ATOM 0 HG21 THR B 102 -1.128 -13.264 10.697 1.00 0.00 H new ATOM 0 HG22 THR B 102 -0.808 -14.136 9.179 1.00 0.00 H new ATOM 0 HG23 THR B 102 -0.798 -12.357 9.202 1.00 0.00 H new ATOM 1614 N THR B 103 -4.434 -15.030 7.078 1.00 0.00 N ATOM 1615 CA THR B 103 -5.691 -15.641 6.680 1.00 0.00 C ATOM 1616 C THR B 103 -6.520 -16.031 7.899 1.00 0.00 C ATOM 1617 O THR B 103 -7.686 -16.411 7.780 1.00 0.00 O ATOM 1618 CB THR B 103 -5.433 -16.871 5.799 1.00 0.00 C ATOM 1619 OG1 THR B 103 -4.520 -17.756 6.458 1.00 0.00 O ATOM 1620 CG2 THR B 103 -4.859 -16.449 4.454 1.00 0.00 C ATOM 0 H THR B 103 -3.630 -15.657 7.046 1.00 0.00 H new ATOM 0 HA THR B 103 -6.255 -14.907 6.105 1.00 0.00 H new ATOM 0 HB THR B 103 -6.379 -17.386 5.631 1.00 0.00 H new ATOM 0 HG1 THR B 103 -5.019 -18.487 6.879 1.00 0.00 H new ATOM 0 HG21 THR B 103 -4.682 -17.333 3.841 1.00 0.00 H new ATOM 0 HG22 THR B 103 -5.565 -15.791 3.947 1.00 0.00 H new ATOM 0 HG23 THR B 103 -3.919 -15.920 4.609 1.00 0.00 H new ATOM 1628 N THR B 104 -5.890 -15.952 9.063 1.00 0.00 N ATOM 1629 CA THR B 104 -6.575 -16.127 10.329 1.00 0.00 C ATOM 1630 C THR B 104 -5.703 -15.607 11.470 1.00 0.00 C ATOM 1631 O THR B 104 -4.505 -15.895 11.539 1.00 0.00 O ATOM 1632 CB THR B 104 -6.973 -17.601 10.582 1.00 0.00 C ATOM 1633 OG1 THR B 104 -7.667 -17.717 11.833 1.00 0.00 O ATOM 1634 CG2 THR B 104 -5.758 -18.517 10.582 1.00 0.00 C ATOM 0 H THR B 104 -4.891 -15.765 9.153 1.00 0.00 H new ATOM 0 HA THR B 104 -7.499 -15.550 10.285 1.00 0.00 H new ATOM 0 HB THR B 104 -7.630 -17.911 9.769 1.00 0.00 H new ATOM 0 HG1 THR B 104 -8.411 -18.347 11.737 1.00 0.00 H new ATOM 0 HG21 THR B 104 -6.076 -19.544 10.763 1.00 0.00 H new ATOM 0 HG22 THR B 104 -5.257 -18.457 9.616 1.00 0.00 H new ATOM 0 HG23 THR B 104 -5.069 -18.207 11.368 1.00 0.00 H new ATOM 1642 N SER B 105 -6.301 -14.800 12.332 1.00 0.00 N ATOM 1643 CA SER B 105 -5.606 -14.267 13.494 1.00 0.00 C ATOM 1644 C SER B 105 -6.379 -14.584 14.766 1.00 0.00 C ATOM 1645 O SER B 105 -6.162 -13.975 15.812 1.00 0.00 O ATOM 1646 CB SER B 105 -5.417 -12.755 13.346 1.00 0.00 C ATOM 1647 OG SER B 105 -4.592 -12.460 12.232 1.00 0.00 O ATOM 0 H SER B 105 -7.272 -14.498 12.248 1.00 0.00 H new ATOM 0 HA SER B 105 -4.625 -14.737 13.562 1.00 0.00 H new ATOM 0 HB2 SER B 105 -6.387 -12.272 13.225 1.00 0.00 H new ATOM 0 HB3 SER B 105 -4.970 -12.349 14.253 1.00 0.00 H new ATOM 0 HG SER B 105 -4.484 -11.489 12.153 1.00 0.00 H new ATOM 1653 N THR B 106 -7.278 -15.552 14.668 1.00 0.00 N ATOM 1654 CA THR B 106 -8.101 -15.936 15.798 1.00 0.00 C ATOM 1655 C THR B 106 -8.330 -17.450 15.796 1.00 0.00 C ATOM 1656 O THR B 106 -9.225 -17.965 16.471 1.00 0.00 O ATOM 1657 CB THR B 106 -9.448 -15.177 15.773 1.00 0.00 C ATOM 1658 OG1 THR B 106 -10.171 -15.384 16.993 1.00 0.00 O ATOM 1659 CG2 THR B 106 -10.299 -15.614 14.589 1.00 0.00 C ATOM 0 H THR B 106 -7.454 -16.084 13.816 1.00 0.00 H new ATOM 0 HA THR B 106 -7.579 -15.667 16.716 1.00 0.00 H new ATOM 0 HB THR B 106 -9.226 -14.115 15.670 1.00 0.00 H new ATOM 0 HG1 THR B 106 -10.125 -16.330 17.244 1.00 0.00 H new ATOM 0 HG21 THR B 106 -11.241 -15.065 14.595 1.00 0.00 H new ATOM 0 HG22 THR B 106 -9.765 -15.408 13.661 1.00 0.00 H new ATOM 0 HG23 THR B 106 -10.502 -16.683 14.661 1.00 0.00 H new ATOM 1667 N SER B 107 -7.500 -18.158 15.037 1.00 0.00 N ATOM 1668 CA SER B 107 -7.588 -19.607 14.950 1.00 0.00 C ATOM 1669 C SER B 107 -7.130 -20.225 16.264 1.00 0.00 C ATOM 1670 O SER B 107 -7.824 -21.054 16.853 1.00 0.00 O ATOM 1671 CB SER B 107 -6.730 -20.119 13.787 1.00 0.00 C ATOM 1672 OG SER B 107 -6.875 -21.518 13.609 1.00 0.00 O ATOM 0 H SER B 107 -6.757 -17.748 14.472 1.00 0.00 H new ATOM 0 HA SER B 107 -8.623 -19.895 14.765 1.00 0.00 H new ATOM 0 HB2 SER B 107 -7.014 -19.603 12.870 1.00 0.00 H new ATOM 0 HB3 SER B 107 -5.683 -19.882 13.975 1.00 0.00 H new ATOM 0 HG SER B 107 -6.317 -21.812 12.859 1.00 0.00 H new ATOM 1678 N THR B 108 -5.962 -19.800 16.721 1.00 0.00 N ATOM 1679 CA THR B 108 -5.433 -20.243 17.996 1.00 0.00 C ATOM 1680 C THR B 108 -5.438 -19.083 18.988 1.00 0.00 C ATOM 1681 O THR B 108 -4.628 -18.162 18.881 1.00 0.00 O ATOM 1682 CB THR B 108 -3.999 -20.784 17.843 1.00 0.00 C ATOM 1683 OG1 THR B 108 -3.956 -21.747 16.781 1.00 0.00 O ATOM 1684 CG2 THR B 108 -3.520 -21.430 19.136 1.00 0.00 C ATOM 0 H THR B 108 -5.361 -19.144 16.222 1.00 0.00 H new ATOM 0 HA THR B 108 -6.067 -21.048 18.367 1.00 0.00 H new ATOM 0 HB THR B 108 -3.340 -19.948 17.609 1.00 0.00 H new ATOM 0 HG1 THR B 108 -3.042 -22.088 16.685 1.00 0.00 H new ATOM 0 HG21 THR B 108 -2.505 -21.804 19.002 1.00 0.00 H new ATOM 0 HG22 THR B 108 -3.532 -20.692 19.938 1.00 0.00 H new ATOM 0 HG23 THR B 108 -4.180 -22.258 19.396 1.00 0.00 H new ATOM 1692 N PRO B 109 -6.372 -19.101 19.953 1.00 0.00 N ATOM 1693 CA PRO B 109 -6.520 -18.025 20.937 1.00 0.00 C ATOM 1694 C PRO B 109 -5.440 -18.060 22.019 1.00 0.00 C ATOM 1695 O PRO B 109 -5.728 -18.270 23.200 1.00 0.00 O ATOM 1696 CB PRO B 109 -7.900 -18.289 21.540 1.00 0.00 C ATOM 1697 CG PRO B 109 -8.104 -19.757 21.399 1.00 0.00 C ATOM 1698 CD PRO B 109 -7.367 -20.174 20.153 1.00 0.00 C ATOM 0 HA PRO B 109 -6.419 -17.040 20.481 1.00 0.00 H new ATOM 0 HB2 PRO B 109 -7.940 -17.983 22.585 1.00 0.00 H new ATOM 0 HB3 PRO B 109 -8.674 -17.730 21.015 1.00 0.00 H new ATOM 0 HG2 PRO B 109 -7.722 -20.287 22.271 1.00 0.00 H new ATOM 0 HG3 PRO B 109 -9.165 -19.995 21.320 1.00 0.00 H new ATOM 0 HD2 PRO B 109 -6.888 -21.145 20.278 1.00 0.00 H new ATOM 0 HD3 PRO B 109 -8.040 -20.259 19.300 1.00 0.00 H new ATOM 1706 N GLY B 110 -4.195 -17.860 21.607 1.00 0.00 N ATOM 1707 CA GLY B 110 -3.099 -17.807 22.553 1.00 0.00 C ATOM 1708 C GLY B 110 -3.060 -16.486 23.289 1.00 0.00 C ATOM 1709 O GLY B 110 -2.640 -16.416 24.443 1.00 0.00 O ATOM 0 H GLY B 110 -3.925 -17.733 20.632 1.00 0.00 H new ATOM 0 HA2 GLY B 110 -3.198 -18.621 23.271 1.00 0.00 H new ATOM 0 HA3 GLY B 110 -2.156 -17.959 22.027 1.00 0.00 H new ATOM 1713 N SER B 111 -3.506 -15.437 22.616 1.00 0.00 N ATOM 1714 CA SER B 111 -3.572 -14.113 23.209 1.00 0.00 C ATOM 1715 C SER B 111 -4.729 -13.331 22.604 1.00 0.00 C ATOM 1716 O SER B 111 -5.090 -13.533 21.443 1.00 0.00 O ATOM 1717 CB SER B 111 -2.255 -13.363 22.988 1.00 0.00 C ATOM 1718 OG SER B 111 -2.296 -12.069 23.570 1.00 0.00 O ATOM 0 H SER B 111 -3.830 -15.480 21.650 1.00 0.00 H new ATOM 0 HA SER B 111 -3.736 -14.217 24.282 1.00 0.00 H new ATOM 0 HB2 SER B 111 -1.432 -13.933 23.420 1.00 0.00 H new ATOM 0 HB3 SER B 111 -2.057 -13.278 21.920 1.00 0.00 H new ATOM 0 HG SER B 111 -1.442 -11.613 23.415 1.00 0.00 H new ATOM 1724 N ARG B 112 -5.316 -12.451 23.402 1.00 0.00 N ATOM 1725 CA ARG B 112 -6.416 -11.617 22.944 1.00 0.00 C ATOM 1726 C ARG B 112 -5.883 -10.344 22.302 1.00 0.00 C ATOM 1727 O ARG B 112 -6.648 -9.526 21.789 1.00 0.00 O ATOM 1728 CB ARG B 112 -7.345 -11.269 24.105 1.00 0.00 C ATOM 1729 CG ARG B 112 -8.054 -12.472 24.703 1.00 0.00 C ATOM 1730 CD ARG B 112 -8.836 -12.084 25.946 1.00 0.00 C ATOM 1731 NE ARG B 112 -7.961 -11.557 26.993 1.00 0.00 N ATOM 1732 CZ ARG B 112 -8.261 -10.511 27.762 1.00 0.00 C ATOM 1733 NH1 ARG B 112 -9.423 -9.882 27.621 1.00 0.00 N ATOM 1734 NH2 ARG B 112 -7.395 -10.092 28.675 1.00 0.00 N ATOM 0 H ARG B 112 -5.047 -12.296 24.374 1.00 0.00 H new ATOM 0 HA ARG B 112 -6.983 -12.176 22.200 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -6.767 -10.774 24.885 1.00 0.00 H new ATOM 0 HB3 ARG B 112 -8.091 -10.554 23.759 1.00 0.00 H new ATOM 0 HG2 ARG B 112 -8.730 -12.904 23.965 1.00 0.00 H new ATOM 0 HG3 ARG B 112 -7.323 -13.241 24.955 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -9.584 -11.335 25.686 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -9.373 -12.954 26.324 1.00 0.00 H new ATOM 0 HE ARG B 112 -7.064 -12.019 27.144 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -10.093 -10.199 26.920 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -9.645 -9.082 28.214 1.00 0.00 H new ATOM 0 HH21 ARG B 112 -6.501 -10.570 28.788 1.00 0.00 H new ATOM 0 HH22 ARG B 112 -7.623 -9.291 29.265 1.00 0.00 H new ATOM 1748 N SER B 113 -4.567 -10.186 22.337 1.00 0.00 N ATOM 1749 CA SER B 113 -3.920 -9.039 21.727 1.00 0.00 C ATOM 1750 C SER B 113 -3.868 -9.207 20.212 1.00 0.00 C ATOM 1751 O SER B 113 -3.770 -10.330 19.711 1.00 0.00 O ATOM 1752 CB SER B 113 -2.508 -8.880 22.287 1.00 0.00 C ATOM 1753 OG SER B 113 -2.527 -8.799 23.704 1.00 0.00 O ATOM 0 H SER B 113 -3.927 -10.842 22.784 1.00 0.00 H new ATOM 0 HA SER B 113 -4.497 -8.144 21.959 1.00 0.00 H new ATOM 0 HB2 SER B 113 -1.893 -9.724 21.976 1.00 0.00 H new ATOM 0 HB3 SER B 113 -2.049 -7.982 21.874 1.00 0.00 H new ATOM 0 HG SER B 113 -1.611 -8.699 24.038 1.00 0.00 H new ATOM 1759 N HIS B 114 -3.949 -8.090 19.494 1.00 0.00 N ATOM 1760 CA HIS B 114 -3.892 -8.090 18.034 1.00 0.00 C ATOM 1761 C HIS B 114 -5.009 -8.940 17.438 1.00 0.00 C ATOM 1762 O HIS B 114 -4.764 -9.843 16.635 1.00 0.00 O ATOM 1763 CB HIS B 114 -2.521 -8.571 17.534 1.00 0.00 C ATOM 1764 CG HIS B 114 -1.413 -7.581 17.751 1.00 0.00 C ATOM 1765 ND1 HIS B 114 -0.824 -6.874 16.725 1.00 0.00 N ATOM 1766 CD2 HIS B 114 -0.780 -7.186 18.883 1.00 0.00 C ATOM 1767 CE1 HIS B 114 0.120 -6.092 17.213 1.00 0.00 C ATOM 1768 NE2 HIS B 114 0.168 -6.262 18.518 1.00 0.00 N ATOM 0 H HIS B 114 -4.056 -7.163 19.905 1.00 0.00 H new ATOM 0 HA HIS B 114 -4.035 -7.062 17.700 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -2.267 -9.503 18.040 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -2.591 -8.795 16.470 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -0.983 -7.533 19.885 1.00 0.00 H new ATOM 0 HE1 HIS B 114 0.747 -5.425 16.639 1.00 0.00 H new ATOM 0 HE2 HIS B 114 0.806 -5.785 19.155 1.00 0.00 H new ATOM 1777 N HIS B 115 -6.236 -8.648 17.845 1.00 0.00 N ATOM 1778 CA HIS B 115 -7.410 -9.298 17.274 1.00 0.00 C ATOM 1779 C HIS B 115 -8.176 -8.319 16.400 1.00 0.00 C ATOM 1780 O HIS B 115 -9.352 -8.521 16.103 1.00 0.00 O ATOM 1781 CB HIS B 115 -8.331 -9.851 18.365 1.00 0.00 C ATOM 1782 CG HIS B 115 -7.991 -11.244 18.793 1.00 0.00 C ATOM 1783 ND1 HIS B 115 -8.428 -11.796 19.978 1.00 0.00 N ATOM 1784 CD2 HIS B 115 -7.274 -12.211 18.174 1.00 0.00 C ATOM 1785 CE1 HIS B 115 -7.995 -13.038 20.068 1.00 0.00 C ATOM 1786 NE2 HIS B 115 -7.294 -13.314 18.986 1.00 0.00 N ATOM 0 H HIS B 115 -6.446 -7.963 18.571 1.00 0.00 H new ATOM 0 HA HIS B 115 -7.065 -10.135 16.667 1.00 0.00 H new ATOM 0 HB2 HIS B 115 -8.287 -9.193 19.233 1.00 0.00 H new ATOM 0 HB3 HIS B 115 -9.359 -9.833 18.003 1.00 0.00 H new ATOM 0 HD2 HIS B 115 -6.778 -12.128 17.218 1.00 0.00 H new ATOM 0 HE1 HIS B 115 -8.183 -13.714 20.889 1.00 0.00 H new ATOM 0 HE2 HIS B 115 -6.840 -14.205 18.786 1.00 0.00 H new ATOM 1795 N HIS B 116 -7.494 -7.253 15.999 1.00 0.00 N ATOM 1796 CA HIS B 116 -8.075 -6.244 15.124 1.00 0.00 C ATOM 1797 C HIS B 116 -8.434 -6.865 13.781 1.00 0.00 C ATOM 1798 O HIS B 116 -9.437 -6.511 13.162 1.00 0.00 O ATOM 1799 CB HIS B 116 -7.089 -5.085 14.924 1.00 0.00 C ATOM 1800 CG HIS B 116 -7.602 -3.996 14.030 1.00 0.00 C ATOM 1801 ND1 HIS B 116 -7.179 -3.828 12.729 1.00 0.00 N ATOM 1802 CD2 HIS B 116 -8.506 -3.014 14.258 1.00 0.00 C ATOM 1803 CE1 HIS B 116 -7.797 -2.791 12.198 1.00 0.00 C ATOM 1804 NE2 HIS B 116 -8.608 -2.281 13.102 1.00 0.00 N ATOM 0 H HIS B 116 -6.529 -7.065 16.269 1.00 0.00 H new ATOM 0 HA HIS B 116 -8.982 -5.855 15.587 1.00 0.00 H new ATOM 0 HB2 HIS B 116 -6.844 -4.658 15.896 1.00 0.00 H new ATOM 0 HB3 HIS B 116 -6.162 -5.478 14.506 1.00 0.00 H new ATOM 0 HD2 HIS B 116 -9.046 -2.840 15.177 1.00 0.00 H new ATOM 0 HE1 HIS B 116 -7.661 -2.422 11.192 1.00 0.00 H new ATOM 0 HE2 HIS B 116 -9.214 -1.472 12.965 1.00 0.00 H new ATOM 1813 N HIS B 117 -7.600 -7.791 13.345 1.00 0.00 N ATOM 1814 CA HIS B 117 -7.820 -8.502 12.101 1.00 0.00 C ATOM 1815 C HIS B 117 -8.724 -9.706 12.341 1.00 0.00 C ATOM 1816 O HIS B 117 -8.269 -10.743 12.826 1.00 0.00 O ATOM 1817 CB HIS B 117 -6.477 -8.939 11.513 1.00 0.00 C ATOM 1818 CG HIS B 117 -6.580 -9.602 10.175 1.00 0.00 C ATOM 1819 ND1 HIS B 117 -6.402 -8.931 8.986 1.00 0.00 N ATOM 1820 CD2 HIS B 117 -6.827 -10.890 9.844 1.00 0.00 C ATOM 1821 CE1 HIS B 117 -6.538 -9.776 7.984 1.00 0.00 C ATOM 1822 NE2 HIS B 117 -6.795 -10.974 8.475 1.00 0.00 N ATOM 0 H HIS B 117 -6.754 -8.070 13.842 1.00 0.00 H new ATOM 0 HA HIS B 117 -8.313 -7.841 11.388 1.00 0.00 H new ATOM 0 HB2 HIS B 117 -5.830 -8.066 11.425 1.00 0.00 H new ATOM 0 HB3 HIS B 117 -5.994 -9.624 12.209 1.00 0.00 H new ATOM 0 HD2 HIS B 117 -7.015 -11.702 10.531 1.00 0.00 H new ATOM 0 HE1 HIS B 117 -6.453 -9.529 6.936 1.00 0.00 H new ATOM 0 HE2 HIS B 117 -6.945 -11.821 7.928 1.00 0.00 H new ATOM 1831 N HIS B 118 -10.004 -9.540 12.005 1.00 0.00 N ATOM 1832 CA HIS B 118 -11.012 -10.589 12.157 1.00 0.00 C ATOM 1833 C HIS B 118 -11.256 -10.904 13.633 1.00 0.00 C ATOM 1834 O HIS B 118 -10.583 -11.751 14.226 1.00 0.00 O ATOM 1835 CB HIS B 118 -10.603 -11.858 11.391 1.00 0.00 C ATOM 1836 CG HIS B 118 -11.686 -12.892 11.295 1.00 0.00 C ATOM 1837 ND1 HIS B 118 -12.306 -13.225 10.110 1.00 0.00 N ATOM 1838 CD2 HIS B 118 -12.252 -13.679 12.242 1.00 0.00 C ATOM 1839 CE1 HIS B 118 -13.202 -14.167 10.333 1.00 0.00 C ATOM 1840 NE2 HIS B 118 -13.188 -14.461 11.616 1.00 0.00 N ATOM 0 H HIS B 118 -10.372 -8.671 11.618 1.00 0.00 H new ATOM 0 HA HIS B 118 -11.945 -10.221 11.731 1.00 0.00 H new ATOM 0 HB2 HIS B 118 -10.293 -11.578 10.384 1.00 0.00 H new ATOM 0 HB3 HIS B 118 -9.735 -12.301 11.880 1.00 0.00 H new ATOM 0 HD2 HIS B 118 -12.011 -13.688 13.295 1.00 0.00 H new ATOM 0 HE1 HIS B 118 -13.840 -14.621 9.589 1.00 0.00 H new ATOM 0 HE2 HIS B 118 -13.778 -15.158 12.071 1.00 0.00 H new ATOM 1849 N HIS B 119 -12.228 -10.215 14.212 1.00 0.00 N ATOM 1850 CA HIS B 119 -12.602 -10.428 15.605 1.00 0.00 C ATOM 1851 C HIS B 119 -13.424 -11.705 15.741 1.00 0.00 C ATOM 1852 O HIS B 119 -12.876 -12.733 16.189 1.00 0.00 O ATOM 1853 CB HIS B 119 -13.404 -9.237 16.140 1.00 0.00 C ATOM 1854 CG HIS B 119 -12.618 -7.965 16.255 1.00 0.00 C ATOM 1855 ND1 HIS B 119 -12.466 -7.075 15.215 1.00 0.00 N ATOM 1856 CD2 HIS B 119 -11.946 -7.428 17.303 1.00 0.00 C ATOM 1857 CE1 HIS B 119 -11.738 -6.051 15.613 1.00 0.00 C ATOM 1858 NE2 HIS B 119 -11.409 -6.238 16.876 1.00 0.00 N ATOM 1859 OXT HIS B 119 -14.617 -11.681 15.379 1.00 0.00 O ATOM 0 H HIS B 119 -12.776 -9.499 13.736 1.00 0.00 H new ATOM 0 HA HIS B 119 -11.688 -10.525 16.191 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -14.258 -9.065 15.484 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -13.803 -9.494 17.121 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -11.851 -7.856 18.290 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -11.458 -5.202 15.007 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -10.848 -5.603 17.443 1.00 0.00 H new TER 1868 HIS B 119