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 45 TYR OH : rot 61:sc= 0.131 USER MOD Set 1.2: B 68 ASN : amide:sc= 0.143 K(o=0.27,f=-2.7!) USER MOD Set 2.1: B 40 SER OG : rot 38:sc= 1.01 USER MOD Set 2.2: B 89 GLN : amide:sc= -0.515 K(o=0.5,f=-3!) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0872 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0837 X(o=-0.084,f=-0.07) USER MOD Single : A 21 THR OG1 : rot -80:sc= 1.3 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 MET CE :methyl 159:sc= -0.157 (180deg=-0.694) USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -0.0331 K(o=-0.033,f=-1.8!) USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 HIS : no HD1:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 44 LYS NZ :NH3+ -179:sc=-0.00162 (180deg=-0.00371) USER MOD Single : B 52 LYS NZ :NH3+ -145:sc= 1.02 (180deg=0.338) USER MOD Single : B 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 171:sc=-0.00316 (180deg=-0.0985) USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : B 69 SER OG : rot 180:sc= -0.0665 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 76 LYS NZ :NH3+ 170:sc=-0.00559 (180deg=-0.107) USER MOD Single : B 81 TYR OH : rot 30:sc= 1 USER MOD Single : B 84 GLN : amide:sc= -0.617 K(o=-0.62,f=-1.9!) USER MOD Single : B 87 SER OG : rot -110:sc= -1.67! USER MOD Single : B 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 91 TYR OH : rot 96:sc= -0.734! USER MOD Single : B 93 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-3.1!) USER MOD Single : B 94 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : B 97 THR OG1 : rot -145:sc= 1.2 USER MOD Single : B 102 THR OG1 : rot 56:sc= 0.583 USER MOD Single : B 103 THR OG1 : rot 98:sc= -0.0189 USER MOD Single : B 104 THR OG1 : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 180:sc= 0 USER MOD Single : B 106 THR OG1 : rot 150:sc= -0.78 USER MOD Single : B 107 SER OG : rot -28:sc= 0.0807 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 SER OG : rot 92:sc= 0.105 USER MOD Single : B 113 SER OG : rot 180:sc= 0.00163 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 115 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.36) USER MOD Single : B 116 HIS : no HD1:sc= -0.0051 X(o=-0.0051,f=0) USER MOD Single : B 117 HIS : no HD1:sc= -0.0711 X(o=-0.071,f=-0.18) USER MOD Single : B 118 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : B 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.217 13.604 20.865 1.00 0.00 N ATOM 2 CA GLY A 1 6.340 12.555 20.287 1.00 0.00 C ATOM 3 C GLY A 1 6.683 12.265 18.843 1.00 0.00 C ATOM 4 O GLY A 1 7.745 12.661 18.366 1.00 0.00 O ATOM 0 H1 GLY A 1 7.684 13.235 21.718 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.938 13.877 20.167 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.645 14.436 21.115 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.433 11.641 20.873 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.300 12.873 20.356 1.00 0.00 H new ATOM 10 N SER A 2 5.792 11.575 18.144 1.00 0.00 N ATOM 11 CA SER A 2 6.011 11.238 16.746 1.00 0.00 C ATOM 12 C SER A 2 5.719 12.442 15.853 1.00 0.00 C ATOM 13 O SER A 2 4.575 12.889 15.755 1.00 0.00 O ATOM 14 CB SER A 2 5.127 10.055 16.356 1.00 0.00 C ATOM 15 OG SER A 2 5.356 8.948 17.214 1.00 0.00 O ATOM 0 H SER A 2 4.908 11.237 18.525 1.00 0.00 H new ATOM 0 HA SER A 2 7.056 10.959 16.609 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.078 10.348 16.405 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.330 9.769 15.324 1.00 0.00 H new ATOM 0 HG SER A 2 4.778 8.203 16.947 1.00 0.00 H new ATOM 21 N GLN A 3 6.754 12.960 15.204 1.00 0.00 N ATOM 22 CA GLN A 3 6.621 14.141 14.359 1.00 0.00 C ATOM 23 C GLN A 3 6.061 13.775 12.987 1.00 0.00 C ATOM 24 O GLN A 3 6.750 13.886 11.969 1.00 0.00 O ATOM 25 CB GLN A 3 7.971 14.848 14.211 1.00 0.00 C ATOM 26 CG GLN A 3 8.540 15.355 15.527 1.00 0.00 C ATOM 27 CD GLN A 3 9.865 16.069 15.354 1.00 0.00 C ATOM 28 OE1 GLN A 3 9.912 17.282 15.154 1.00 0.00 O ATOM 29 NE2 GLN A 3 10.951 15.324 15.426 1.00 0.00 N ATOM 0 H GLN A 3 7.699 12.579 15.247 1.00 0.00 H new ATOM 0 HA GLN A 3 5.919 14.822 14.841 1.00 0.00 H new ATOM 0 HB2 GLN A 3 8.684 14.160 13.757 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.859 15.688 13.526 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.824 16.034 15.990 1.00 0.00 H new ATOM 0 HG3 GLN A 3 8.671 14.515 16.209 1.00 0.00 H new ATOM 0 HE21 GLN A 3 10.871 14.321 15.593 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.871 15.751 15.314 1.00 0.00 H new ATOM 38 N THR A 4 4.804 13.338 12.977 1.00 0.00 N ATOM 39 CA THR A 4 4.106 12.974 11.751 1.00 0.00 C ATOM 40 C THR A 4 4.842 11.850 11.022 1.00 0.00 C ATOM 41 O THR A 4 5.542 12.080 10.036 1.00 0.00 O ATOM 42 CB THR A 4 3.945 14.198 10.826 1.00 0.00 C ATOM 43 OG1 THR A 4 3.434 15.305 11.585 1.00 0.00 O ATOM 44 CG2 THR A 4 2.997 13.898 9.673 1.00 0.00 C ATOM 0 H THR A 4 4.242 13.227 13.821 1.00 0.00 H new ATOM 0 HA THR A 4 3.113 12.617 12.024 1.00 0.00 H new ATOM 0 HB THR A 4 4.923 14.444 10.411 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.333 16.084 10.999 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.904 14.780 9.039 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.390 13.068 9.085 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.017 13.631 10.068 1.00 0.00 H new ATOM 52 N THR A 5 4.694 10.636 11.535 1.00 0.00 N ATOM 53 CA THR A 5 5.349 9.472 10.960 1.00 0.00 C ATOM 54 C THR A 5 4.853 9.217 9.538 1.00 0.00 C ATOM 55 O THR A 5 5.636 8.908 8.637 1.00 0.00 O ATOM 56 CB THR A 5 5.098 8.233 11.834 1.00 0.00 C ATOM 57 OG1 THR A 5 5.403 8.548 13.200 1.00 0.00 O ATOM 58 CG2 THR A 5 5.951 7.060 11.377 1.00 0.00 C ATOM 0 H THR A 5 4.121 10.433 12.354 1.00 0.00 H new ATOM 0 HA THR A 5 6.420 9.669 10.922 1.00 0.00 H new ATOM 0 HB THR A 5 4.050 7.948 11.741 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.242 7.761 13.761 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.753 6.197 12.013 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.707 6.813 10.344 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.005 7.328 11.446 1.00 0.00 H new ATOM 66 N ALA A 6 3.552 9.372 9.345 1.00 0.00 N ATOM 67 CA ALA A 6 2.942 9.215 8.034 1.00 0.00 C ATOM 68 C ALA A 6 2.474 10.571 7.518 1.00 0.00 C ATOM 69 O ALA A 6 1.395 11.042 7.879 1.00 0.00 O ATOM 70 CB ALA A 6 1.777 8.241 8.114 1.00 0.00 C ATOM 0 H ALA A 6 2.893 9.609 10.087 1.00 0.00 H new ATOM 0 HA ALA A 6 3.679 8.812 7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.327 8.130 7.127 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.136 7.272 8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.032 8.622 8.812 1.00 0.00 H new ATOM 76 N PRO A 7 3.293 11.223 6.676 1.00 0.00 N ATOM 77 CA PRO A 7 2.991 12.554 6.144 1.00 0.00 C ATOM 78 C PRO A 7 1.733 12.558 5.280 1.00 0.00 C ATOM 79 O PRO A 7 0.679 13.029 5.706 1.00 0.00 O ATOM 80 CB PRO A 7 4.229 12.914 5.307 1.00 0.00 C ATOM 81 CG PRO A 7 5.292 11.969 5.754 1.00 0.00 C ATOM 82 CD PRO A 7 4.580 10.716 6.171 1.00 0.00 C ATOM 0 HA PRO A 7 2.791 13.270 6.941 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.029 12.806 4.241 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.528 13.949 5.471 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.999 11.767 4.949 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.863 12.388 6.582 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.444 10.031 5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.131 10.175 6.940 1.00 0.00 H new ATOM 90 N ASP A 8 1.839 12.028 4.071 1.00 0.00 N ATOM 91 CA ASP A 8 0.696 11.961 3.170 1.00 0.00 C ATOM 92 C ASP A 8 0.310 10.514 2.915 1.00 0.00 C ATOM 93 O ASP A 8 -0.556 10.225 2.090 1.00 0.00 O ATOM 94 CB ASP A 8 0.997 12.674 1.851 1.00 0.00 C ATOM 95 CG ASP A 8 1.221 14.161 2.028 1.00 0.00 C ATOM 96 OD1 ASP A 8 2.361 14.625 1.818 1.00 0.00 O ATOM 97 OD2 ASP A 8 0.261 14.875 2.380 1.00 0.00 O ATOM 0 H ASP A 8 2.702 11.639 3.691 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.143 12.469 3.645 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.882 12.229 1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.169 12.515 1.160 1.00 0.00 H new ATOM 102 N ALA A 9 0.975 9.613 3.621 1.00 0.00 N ATOM 103 CA ALA A 9 0.720 8.186 3.495 1.00 0.00 C ATOM 104 C ALA A 9 -0.613 7.807 4.128 1.00 0.00 C ATOM 105 O ALA A 9 -0.913 8.225 5.249 1.00 0.00 O ATOM 106 CB ALA A 9 1.848 7.398 4.142 1.00 0.00 C ATOM 0 H ALA A 9 1.704 9.848 4.295 1.00 0.00 H new ATOM 0 HA ALA A 9 0.672 7.942 2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.649 6.331 4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.790 7.639 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.915 7.659 5.198 1.00 0.00 H new ATOM 112 N PRO A 10 -1.440 7.028 3.409 1.00 0.00 N ATOM 113 CA PRO A 10 -2.703 6.509 3.943 1.00 0.00 C ATOM 114 C PRO A 10 -2.480 5.736 5.243 1.00 0.00 C ATOM 115 O PRO A 10 -1.716 4.777 5.256 1.00 0.00 O ATOM 116 CB PRO A 10 -3.199 5.569 2.840 1.00 0.00 C ATOM 117 CG PRO A 10 -2.554 6.073 1.596 1.00 0.00 C ATOM 118 CD PRO A 10 -1.214 6.604 2.017 1.00 0.00 C ATOM 0 HA PRO A 10 -3.411 7.302 4.185 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.915 4.536 3.043 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.286 5.591 2.760 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.445 5.275 0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.156 6.854 1.132 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.439 5.840 1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.896 7.437 1.389 1.00 0.00 H new ATOM 126 N PRO A 11 -3.130 6.160 6.346 1.00 0.00 N ATOM 127 CA PRO A 11 -2.897 5.618 7.693 1.00 0.00 C ATOM 128 C PRO A 11 -2.769 4.093 7.741 1.00 0.00 C ATOM 129 O PRO A 11 -1.689 3.567 8.031 1.00 0.00 O ATOM 130 CB PRO A 11 -4.121 6.085 8.500 1.00 0.00 C ATOM 131 CG PRO A 11 -5.006 6.812 7.537 1.00 0.00 C ATOM 132 CD PRO A 11 -4.144 7.216 6.378 1.00 0.00 C ATOM 0 HA PRO A 11 -1.945 5.972 8.087 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.642 5.236 8.942 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.820 6.737 9.320 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.825 6.173 7.206 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.455 7.686 8.008 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.711 7.261 5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.699 8.200 6.528 1.00 0.00 H new ATOM 140 N ASP A 12 -3.852 3.380 7.451 1.00 0.00 N ATOM 141 CA ASP A 12 -3.833 1.923 7.527 1.00 0.00 C ATOM 142 C ASP A 12 -4.772 1.290 6.504 1.00 0.00 C ATOM 143 O ASP A 12 -5.962 1.614 6.457 1.00 0.00 O ATOM 144 CB ASP A 12 -4.222 1.461 8.932 1.00 0.00 C ATOM 145 CG ASP A 12 -4.292 -0.048 9.051 1.00 0.00 C ATOM 146 OD1 ASP A 12 -3.225 -0.690 9.147 1.00 0.00 O ATOM 147 OD2 ASP A 12 -5.415 -0.601 9.074 1.00 0.00 O ATOM 0 H ASP A 12 -4.745 3.781 7.164 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.817 1.599 7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.498 1.845 9.650 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.190 1.888 9.196 1.00 0.00 H new ATOM 152 N PRO A 13 -4.241 0.395 5.653 1.00 0.00 N ATOM 153 CA PRO A 13 -5.047 -0.413 4.741 1.00 0.00 C ATOM 154 C PRO A 13 -5.659 -1.614 5.455 1.00 0.00 C ATOM 155 O PRO A 13 -4.957 -2.377 6.124 1.00 0.00 O ATOM 156 CB PRO A 13 -4.044 -0.879 3.671 1.00 0.00 C ATOM 157 CG PRO A 13 -2.741 -0.229 4.017 1.00 0.00 C ATOM 158 CD PRO A 13 -2.816 0.114 5.477 1.00 0.00 C ATOM 0 HA PRO A 13 -5.885 0.148 4.326 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.950 -1.965 3.670 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.373 -0.587 2.674 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.906 -0.901 3.818 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.581 0.666 3.415 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.482 -0.710 6.107 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.197 0.976 5.726 1.00 0.00 H new ATOM 166 N THR A 14 -6.961 -1.776 5.312 1.00 0.00 N ATOM 167 CA THR A 14 -7.678 -2.847 5.976 1.00 0.00 C ATOM 168 C THR A 14 -7.938 -4.000 5.011 1.00 0.00 C ATOM 169 O THR A 14 -8.262 -3.783 3.845 1.00 0.00 O ATOM 170 CB THR A 14 -9.021 -2.336 6.526 1.00 0.00 C ATOM 171 OG1 THR A 14 -8.829 -1.076 7.185 1.00 0.00 O ATOM 172 CG2 THR A 14 -9.621 -3.332 7.504 1.00 0.00 C ATOM 0 H THR A 14 -7.548 -1.173 4.736 1.00 0.00 H new ATOM 0 HA THR A 14 -7.060 -3.202 6.801 1.00 0.00 H new ATOM 0 HB THR A 14 -9.708 -2.213 5.689 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.687 -0.754 7.532 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.570 -2.948 7.879 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.789 -4.283 6.998 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.935 -3.481 8.338 1.00 0.00 H new ATOM 180 N VAL A 15 -7.783 -5.222 5.498 1.00 0.00 N ATOM 181 CA VAL A 15 -8.049 -6.401 4.691 1.00 0.00 C ATOM 182 C VAL A 15 -9.326 -7.090 5.157 1.00 0.00 C ATOM 183 O VAL A 15 -9.381 -7.640 6.260 1.00 0.00 O ATOM 184 CB VAL A 15 -6.878 -7.405 4.745 1.00 0.00 C ATOM 185 CG1 VAL A 15 -7.247 -8.696 4.033 1.00 0.00 C ATOM 186 CG2 VAL A 15 -5.622 -6.799 4.136 1.00 0.00 C ATOM 0 H VAL A 15 -7.474 -5.422 6.449 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.168 -6.066 3.661 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.674 -7.636 5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.409 -9.391 4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.117 -9.142 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.481 -8.482 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.809 -7.523 4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.813 -6.536 3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.344 -5.903 4.692 1.00 0.00 H new ATOM 196 N ASP A 16 -10.348 -7.049 4.320 1.00 0.00 N ATOM 197 CA ASP A 16 -11.620 -7.685 4.633 1.00 0.00 C ATOM 198 C ASP A 16 -11.920 -8.791 3.638 1.00 0.00 C ATOM 199 O ASP A 16 -11.390 -8.789 2.527 1.00 0.00 O ATOM 200 CB ASP A 16 -12.766 -6.670 4.618 1.00 0.00 C ATOM 201 CG ASP A 16 -12.766 -5.760 5.827 1.00 0.00 C ATOM 202 OD1 ASP A 16 -13.263 -6.179 6.895 1.00 0.00 O ATOM 203 OD2 ASP A 16 -12.300 -4.611 5.709 1.00 0.00 O ATOM 0 H ASP A 16 -10.323 -6.580 3.414 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.537 -8.107 5.635 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -12.696 -6.064 3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -13.716 -7.203 4.571 1.00 0.00 H new ATOM 208 N GLN A 17 -12.767 -9.728 4.056 1.00 0.00 N ATOM 209 CA GLN A 17 -13.240 -10.811 3.194 1.00 0.00 C ATOM 210 C GLN A 17 -12.084 -11.639 2.642 1.00 0.00 C ATOM 211 O GLN A 17 -11.572 -11.362 1.558 1.00 0.00 O ATOM 212 CB GLN A 17 -14.079 -10.253 2.042 1.00 0.00 C ATOM 213 CG GLN A 17 -15.305 -9.472 2.490 1.00 0.00 C ATOM 214 CD GLN A 17 -16.272 -10.315 3.298 1.00 0.00 C ATOM 215 OE1 GLN A 17 -17.157 -10.967 2.744 1.00 0.00 O ATOM 216 NE2 GLN A 17 -16.127 -10.291 4.614 1.00 0.00 N ATOM 0 H GLN A 17 -13.146 -9.759 5.003 1.00 0.00 H new ATOM 0 HA GLN A 17 -13.861 -11.466 3.806 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.452 -9.605 1.430 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -14.399 -11.079 1.406 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.988 -8.617 3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -15.819 -9.076 1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -15.380 -9.738 5.035 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -16.762 -10.826 5.207 1.00 0.00 H new ATOM 225 N VAL A 18 -11.684 -12.660 3.388 1.00 0.00 N ATOM 226 CA VAL A 18 -10.597 -13.532 2.963 1.00 0.00 C ATOM 227 C VAL A 18 -11.077 -14.496 1.877 1.00 0.00 C ATOM 228 O VAL A 18 -10.284 -14.998 1.075 1.00 0.00 O ATOM 229 CB VAL A 18 -9.999 -14.318 4.159 1.00 0.00 C ATOM 230 CG1 VAL A 18 -11.038 -15.234 4.789 1.00 0.00 C ATOM 231 CG2 VAL A 18 -8.769 -15.111 3.736 1.00 0.00 C ATOM 0 H VAL A 18 -12.095 -12.905 4.289 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.809 -12.902 2.551 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.691 -13.590 4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.590 -15.772 5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.877 -14.639 5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.392 -15.948 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.372 -15.652 4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.044 -15.821 2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.010 -14.429 3.354 1.00 0.00 H new ATOM 241 N ASP A 19 -12.396 -14.727 1.859 1.00 0.00 N ATOM 242 CA ASP A 19 -13.038 -15.582 0.860 1.00 0.00 C ATOM 243 C ASP A 19 -12.335 -16.940 0.805 1.00 0.00 C ATOM 244 O ASP A 19 -11.927 -17.473 1.841 1.00 0.00 O ATOM 245 CB ASP A 19 -13.026 -14.885 -0.511 1.00 0.00 C ATOM 246 CG ASP A 19 -13.980 -15.515 -1.511 1.00 0.00 C ATOM 247 OD1 ASP A 19 -15.199 -15.286 -1.404 1.00 0.00 O ATOM 248 OD2 ASP A 19 -13.509 -16.235 -2.417 1.00 0.00 O ATOM 0 H ASP A 19 -13.045 -14.326 2.536 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.077 -15.754 1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.288 -13.835 -0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -12.015 -14.912 -0.916 1.00 0.00 H new ATOM 253 N ASP A 20 -12.219 -17.513 -0.383 1.00 0.00 N ATOM 254 CA ASP A 20 -11.482 -18.752 -0.559 1.00 0.00 C ATOM 255 C ASP A 20 -9.993 -18.470 -0.690 1.00 0.00 C ATOM 256 O ASP A 20 -9.182 -19.010 0.063 1.00 0.00 O ATOM 257 CB ASP A 20 -11.984 -19.499 -1.797 1.00 0.00 C ATOM 258 CG ASP A 20 -11.112 -20.688 -2.148 1.00 0.00 C ATOM 259 OD1 ASP A 20 -10.330 -20.590 -3.119 1.00 0.00 O ATOM 260 OD2 ASP A 20 -11.201 -21.724 -1.457 1.00 0.00 O ATOM 0 H ASP A 20 -12.627 -17.138 -1.240 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.645 -19.377 0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.005 -19.839 -1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.016 -18.813 -2.644 1.00 0.00 H new ATOM 265 N THR A 21 -9.645 -17.610 -1.639 1.00 0.00 N ATOM 266 CA THR A 21 -8.252 -17.266 -1.896 1.00 0.00 C ATOM 267 C THR A 21 -8.116 -15.843 -2.445 1.00 0.00 C ATOM 268 O THR A 21 -7.237 -15.564 -3.264 1.00 0.00 O ATOM 269 CB THR A 21 -7.612 -18.264 -2.889 1.00 0.00 C ATOM 270 OG1 THR A 21 -8.576 -18.663 -3.879 1.00 0.00 O ATOM 271 CG2 THR A 21 -7.076 -19.498 -2.174 1.00 0.00 C ATOM 0 H THR A 21 -10.313 -17.135 -2.247 1.00 0.00 H new ATOM 0 HA THR A 21 -7.728 -17.322 -0.942 1.00 0.00 H new ATOM 0 HB THR A 21 -6.776 -17.759 -3.372 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.167 -19.348 -3.503 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.634 -20.177 -2.903 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.318 -19.199 -1.450 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.892 -20.002 -1.657 1.00 0.00 H new ATOM 279 N SER A 22 -8.979 -14.941 -1.994 1.00 0.00 N ATOM 280 CA SER A 22 -8.958 -13.565 -2.476 1.00 0.00 C ATOM 281 C SER A 22 -9.458 -12.606 -1.403 1.00 0.00 C ATOM 282 O SER A 22 -10.458 -12.876 -0.744 1.00 0.00 O ATOM 283 CB SER A 22 -9.809 -13.436 -3.741 1.00 0.00 C ATOM 284 OG SER A 22 -11.113 -13.951 -3.533 1.00 0.00 O ATOM 0 H SER A 22 -9.699 -15.136 -1.298 1.00 0.00 H new ATOM 0 HA SER A 22 -7.928 -13.301 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.871 -12.389 -4.036 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.330 -13.970 -4.561 1.00 0.00 H new ATOM 0 HG SER A 22 -11.637 -13.855 -4.355 1.00 0.00 H new ATOM 290 N ILE A 23 -8.778 -11.479 -1.251 1.00 0.00 N ATOM 291 CA ILE A 23 -9.109 -10.529 -0.197 1.00 0.00 C ATOM 292 C ILE A 23 -9.567 -9.200 -0.775 1.00 0.00 C ATOM 293 O ILE A 23 -9.302 -8.890 -1.939 1.00 0.00 O ATOM 294 CB ILE A 23 -7.901 -10.240 0.715 1.00 0.00 C ATOM 295 CG1 ILE A 23 -6.828 -9.470 -0.066 1.00 0.00 C ATOM 296 CG2 ILE A 23 -7.334 -11.537 1.270 1.00 0.00 C ATOM 297 CD1 ILE A 23 -5.836 -8.727 0.802 1.00 0.00 C ATOM 0 H ILE A 23 -7.995 -11.200 -1.842 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.910 -10.991 0.380 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.230 -9.626 1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.284 -10.171 -0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.319 -8.757 -0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.481 -11.316 1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.101 -12.051 1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.012 -12.175 0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.114 -8.211 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.365 -7.999 1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.314 -9.435 1.445 1.00 0.00 H new ATOM 309 N VAL A 24 -10.245 -8.419 0.048 1.00 0.00 N ATOM 310 CA VAL A 24 -10.571 -7.050 -0.294 1.00 0.00 C ATOM 311 C VAL A 24 -9.731 -6.112 0.565 1.00 0.00 C ATOM 312 O VAL A 24 -9.983 -5.956 1.760 1.00 0.00 O ATOM 313 CB VAL A 24 -12.068 -6.744 -0.074 1.00 0.00 C ATOM 314 CG1 VAL A 24 -12.404 -5.337 -0.541 1.00 0.00 C ATOM 315 CG2 VAL A 24 -12.932 -7.768 -0.793 1.00 0.00 C ATOM 0 H VAL A 24 -10.582 -8.715 0.964 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.354 -6.902 -1.352 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.277 -6.806 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -13.464 -5.142 -0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.811 -4.616 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.178 -5.243 -1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.984 -7.537 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.718 -7.739 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.714 -8.764 -0.407 1.00 0.00 H new ATOM 325 N VAL A 25 -8.723 -5.510 -0.044 1.00 0.00 N ATOM 326 CA VAL A 25 -7.838 -4.601 0.666 1.00 0.00 C ATOM 327 C VAL A 25 -8.250 -3.155 0.399 1.00 0.00 C ATOM 328 O VAL A 25 -8.249 -2.689 -0.743 1.00 0.00 O ATOM 329 CB VAL A 25 -6.349 -4.844 0.293 1.00 0.00 C ATOM 330 CG1 VAL A 25 -6.158 -4.930 -1.211 1.00 0.00 C ATOM 331 CG2 VAL A 25 -5.446 -3.773 0.885 1.00 0.00 C ATOM 0 H VAL A 25 -8.497 -5.635 -1.031 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.932 -4.796 1.734 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.064 -5.804 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.105 -5.100 -1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.751 -5.755 -1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.481 -3.997 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.412 -3.973 0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.742 -2.796 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.536 -3.781 1.971 1.00 0.00 H new ATOM 341 N ARG A 26 -8.646 -2.470 1.461 1.00 0.00 N ATOM 342 CA ARG A 26 -9.151 -1.109 1.359 1.00 0.00 C ATOM 343 C ARG A 26 -8.267 -0.156 2.152 1.00 0.00 C ATOM 344 O ARG A 26 -8.040 -0.362 3.343 1.00 0.00 O ATOM 345 CB ARG A 26 -10.583 -1.041 1.890 1.00 0.00 C ATOM 346 CG ARG A 26 -11.539 -2.017 1.221 1.00 0.00 C ATOM 347 CD ARG A 26 -12.915 -1.970 1.864 1.00 0.00 C ATOM 348 NE ARG A 26 -13.531 -0.654 1.725 1.00 0.00 N ATOM 349 CZ ARG A 26 -14.364 -0.115 2.612 1.00 0.00 C ATOM 350 NH1 ARG A 26 -14.687 -0.769 3.719 1.00 0.00 N ATOM 351 NH2 ARG A 26 -14.868 1.091 2.391 1.00 0.00 N ATOM 0 H ARG A 26 -8.627 -2.839 2.412 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.141 -0.813 0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.572 -1.237 2.962 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.962 -0.028 1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.622 -1.779 0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.137 -3.028 1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.557 -2.722 1.406 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.832 -2.223 2.921 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.308 -0.110 0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.296 -1.694 3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.326 -0.347 4.392 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.617 1.601 1.544 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.507 1.509 3.068 1.00 0.00 H new ATOM 365 N TRP A 27 -7.774 0.880 1.500 1.00 0.00 N ATOM 366 CA TRP A 27 -6.898 1.837 2.158 1.00 0.00 C ATOM 367 C TRP A 27 -7.612 3.160 2.404 1.00 0.00 C ATOM 368 O TRP A 27 -8.227 3.730 1.505 1.00 0.00 O ATOM 369 CB TRP A 27 -5.614 2.049 1.345 1.00 0.00 C ATOM 370 CG TRP A 27 -5.842 2.212 -0.129 1.00 0.00 C ATOM 371 CD1 TRP A 27 -6.084 3.375 -0.803 1.00 0.00 C ATOM 372 CD2 TRP A 27 -5.835 1.173 -1.114 1.00 0.00 C ATOM 373 NE1 TRP A 27 -6.238 3.118 -2.143 1.00 0.00 N ATOM 374 CE2 TRP A 27 -6.087 1.776 -2.359 1.00 0.00 C ATOM 375 CE3 TRP A 27 -5.642 -0.210 -1.062 1.00 0.00 C ATOM 376 CZ2 TRP A 27 -6.150 1.043 -3.541 1.00 0.00 C ATOM 377 CZ3 TRP A 27 -5.706 -0.935 -2.237 1.00 0.00 C ATOM 378 CH2 TRP A 27 -5.957 -0.307 -3.461 1.00 0.00 C ATOM 0 H TRP A 27 -7.963 1.082 0.518 1.00 0.00 H new ATOM 0 HA TRP A 27 -6.621 1.425 3.128 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.100 2.933 1.722 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -4.950 1.200 1.507 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.145 4.353 -0.349 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.433 3.815 -2.861 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.446 -0.703 -0.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.345 1.525 -4.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.560 -2.005 -2.209 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.999 -0.902 -4.362 1.00 0.00 H new ATOM 389 N SER A 28 -7.540 3.628 3.639 1.00 0.00 N ATOM 390 CA SER A 28 -8.142 4.894 4.015 1.00 0.00 C ATOM 391 C SER A 28 -7.143 6.026 3.819 1.00 0.00 C ATOM 392 O SER A 28 -6.014 5.949 4.300 1.00 0.00 O ATOM 393 CB SER A 28 -8.593 4.830 5.473 1.00 0.00 C ATOM 394 OG SER A 28 -9.448 3.717 5.691 1.00 0.00 O ATOM 0 H SER A 28 -7.067 3.145 4.403 1.00 0.00 H new ATOM 0 HA SER A 28 -9.009 5.085 3.382 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.722 4.758 6.124 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.113 5.751 5.738 1.00 0.00 H new ATOM 0 HG SER A 28 -9.723 3.695 6.631 1.00 0.00 H new ATOM 400 N ARG A 29 -7.548 7.064 3.096 1.00 0.00 N ATOM 401 CA ARG A 29 -6.667 8.192 2.830 1.00 0.00 C ATOM 402 C ARG A 29 -6.458 9.064 4.073 1.00 0.00 C ATOM 403 O ARG A 29 -7.253 9.019 5.013 1.00 0.00 O ATOM 404 CB ARG A 29 -7.172 9.022 1.630 1.00 0.00 C ATOM 405 CG ARG A 29 -8.664 9.329 1.619 1.00 0.00 C ATOM 406 CD ARG A 29 -9.119 10.003 2.895 1.00 0.00 C ATOM 407 NE ARG A 29 -8.513 11.326 3.082 1.00 0.00 N ATOM 408 CZ ARG A 29 -9.175 12.478 2.992 1.00 0.00 C ATOM 409 NH1 ARG A 29 -10.444 12.502 2.607 1.00 0.00 N ATOM 410 NH2 ARG A 29 -8.553 13.613 3.273 1.00 0.00 N ATOM 0 H ARG A 29 -8.478 7.147 2.685 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.691 7.785 2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.626 9.965 1.609 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.923 8.489 0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.895 9.971 0.769 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.223 8.403 1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.204 10.103 2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.868 9.369 3.746 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.516 11.366 3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.923 11.632 2.376 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.940 13.391 2.542 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.573 13.601 3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.054 14.499 3.206 1.00 0.00 H new ATOM 424 N PRO A 30 -5.365 9.847 4.099 1.00 0.00 N ATOM 425 CA PRO A 30 -5.069 10.775 5.196 1.00 0.00 C ATOM 426 C PRO A 30 -6.049 11.940 5.240 1.00 0.00 C ATOM 427 O PRO A 30 -6.144 12.676 4.237 1.00 0.00 O ATOM 428 CB PRO A 30 -3.658 11.289 4.882 1.00 0.00 C ATOM 429 CG PRO A 30 -3.125 10.377 3.833 1.00 0.00 C ATOM 430 CD PRO A 30 -4.315 9.881 3.071 1.00 0.00 C ATOM 431 OXT PRO A 30 -6.714 12.122 6.280 1.00 0.00 O ATOM 0 HA PRO A 30 -5.147 10.284 6.166 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.686 12.320 4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.028 11.274 5.772 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.432 10.902 3.175 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.575 9.549 4.279 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.575 10.547 2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.138 8.896 2.640 1.00 0.00 H new TER 439 PRO A 30 ATOM 440 N MET B 31 -12.119 29.493 -17.096 1.00 0.00 N ATOM 441 CA MET B 31 -12.634 28.117 -16.925 1.00 0.00 C ATOM 442 C MET B 31 -12.339 27.620 -15.515 1.00 0.00 C ATOM 443 O MET B 31 -11.241 27.135 -15.235 1.00 0.00 O ATOM 444 CB MET B 31 -11.993 27.171 -17.945 1.00 0.00 C ATOM 445 CG MET B 31 -12.221 27.569 -19.393 1.00 0.00 C ATOM 446 SD MET B 31 -11.379 26.472 -20.551 1.00 0.00 S ATOM 447 CE MET B 31 -12.158 24.908 -20.156 1.00 0.00 C ATOM 0 HA MET B 31 -13.712 28.132 -17.086 1.00 0.00 H new ATOM 0 HB2 MET B 31 -10.920 27.125 -17.757 1.00 0.00 H new ATOM 0 HB3 MET B 31 -12.387 26.167 -17.790 1.00 0.00 H new ATOM 0 HG2 MET B 31 -13.290 27.563 -19.604 1.00 0.00 H new ATOM 0 HG3 MET B 31 -11.872 28.590 -19.545 1.00 0.00 H new ATOM 0 HE1 MET B 31 -12.042 24.222 -20.995 1.00 0.00 H new ATOM 0 HE2 MET B 31 -11.688 24.481 -19.270 1.00 0.00 H new ATOM 0 HE3 MET B 31 -13.219 25.068 -19.963 1.00 0.00 H new ATOM 459 N ARG B 32 -13.316 27.749 -14.626 1.00 0.00 N ATOM 460 CA ARG B 32 -13.144 27.333 -13.240 1.00 0.00 C ATOM 461 C ARG B 32 -12.834 25.839 -13.163 1.00 0.00 C ATOM 462 O ARG B 32 -13.536 25.010 -13.748 1.00 0.00 O ATOM 463 CB ARG B 32 -14.391 27.666 -12.409 1.00 0.00 C ATOM 464 CG ARG B 32 -15.629 26.873 -12.796 1.00 0.00 C ATOM 465 CD ARG B 32 -16.813 27.215 -11.910 1.00 0.00 C ATOM 466 NE ARG B 32 -17.944 26.319 -12.142 1.00 0.00 N ATOM 467 CZ ARG B 32 -19.156 26.498 -11.620 1.00 0.00 C ATOM 468 NH1 ARG B 32 -19.411 27.566 -10.872 1.00 0.00 N ATOM 469 NH2 ARG B 32 -20.118 25.612 -11.849 1.00 0.00 N ATOM 0 H ARG B 32 -14.234 28.138 -14.840 1.00 0.00 H new ATOM 0 HA ARG B 32 -12.301 27.884 -12.824 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -14.172 27.485 -11.357 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -14.608 28.729 -12.511 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -15.882 27.077 -13.836 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -15.416 25.807 -12.723 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -16.512 27.157 -10.864 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -17.121 28.244 -12.096 1.00 0.00 H new ATOM 0 HE ARG B 32 -17.796 25.507 -12.741 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -18.677 28.252 -10.696 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -20.341 27.700 -10.474 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -19.929 24.792 -12.426 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -21.046 25.751 -11.448 1.00 0.00 H new ATOM 483 N GLY B 33 -11.760 25.501 -12.470 1.00 0.00 N ATOM 484 CA GLY B 33 -11.382 24.112 -12.321 1.00 0.00 C ATOM 485 C GLY B 33 -10.348 23.678 -13.340 1.00 0.00 C ATOM 486 O GLY B 33 -9.773 22.595 -13.225 1.00 0.00 O ATOM 0 H GLY B 33 -11.141 26.166 -12.006 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -10.988 23.952 -11.318 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -12.269 23.485 -12.419 1.00 0.00 H new ATOM 490 N SER B 34 -10.106 24.520 -14.338 1.00 0.00 N ATOM 491 CA SER B 34 -9.111 24.217 -15.356 1.00 0.00 C ATOM 492 C SER B 34 -7.715 24.412 -14.779 1.00 0.00 C ATOM 493 O SER B 34 -6.747 23.805 -15.233 1.00 0.00 O ATOM 494 CB SER B 34 -9.313 25.107 -16.588 1.00 0.00 C ATOM 495 OG SER B 34 -8.507 24.683 -17.675 1.00 0.00 O ATOM 0 H SER B 34 -10.583 25.413 -14.463 1.00 0.00 H new ATOM 0 HA SER B 34 -9.226 23.179 -15.667 1.00 0.00 H new ATOM 0 HB2 SER B 34 -10.362 25.088 -16.883 1.00 0.00 H new ATOM 0 HB3 SER B 34 -9.071 26.139 -16.336 1.00 0.00 H new ATOM 0 HG SER B 34 -8.661 25.270 -18.445 1.00 0.00 H new ATOM 501 N ASN B 35 -7.625 25.264 -13.769 1.00 0.00 N ATOM 502 CA ASN B 35 -6.372 25.489 -13.066 1.00 0.00 C ATOM 503 C ASN B 35 -6.605 25.328 -11.571 1.00 0.00 C ATOM 504 O ASN B 35 -6.563 26.296 -10.810 1.00 0.00 O ATOM 505 CB ASN B 35 -5.819 26.885 -13.373 1.00 0.00 C ATOM 506 CG ASN B 35 -4.342 27.020 -13.043 1.00 0.00 C ATOM 507 OD1 ASN B 35 -3.814 26.348 -12.153 1.00 0.00 O ATOM 508 ND2 ASN B 35 -3.658 27.891 -13.768 1.00 0.00 N ATOM 0 H ASN B 35 -8.409 25.813 -13.417 1.00 0.00 H new ATOM 0 HA ASN B 35 -5.637 24.758 -13.402 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -5.972 27.107 -14.429 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -6.382 27.626 -12.806 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -2.661 28.024 -13.599 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -4.128 28.429 -14.496 1.00 0.00 H new ATOM 515 N ALA B 36 -6.881 24.099 -11.160 1.00 0.00 N ATOM 516 CA ALA B 36 -7.179 23.809 -9.768 1.00 0.00 C ATOM 517 C ALA B 36 -6.232 22.747 -9.217 1.00 0.00 C ATOM 518 O ALA B 36 -6.499 21.549 -9.323 1.00 0.00 O ATOM 519 CB ALA B 36 -8.627 23.363 -9.624 1.00 0.00 C ATOM 0 H ALA B 36 -6.904 23.285 -11.774 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.034 24.720 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -8.839 23.148 -8.577 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -9.288 24.156 -9.973 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -8.792 22.465 -10.219 1.00 0.00 H new ATOM 525 N PRO B 37 -5.098 23.183 -8.645 1.00 0.00 N ATOM 526 CA PRO B 37 -4.118 22.281 -8.033 1.00 0.00 C ATOM 527 C PRO B 37 -4.728 21.461 -6.902 1.00 0.00 C ATOM 528 O PRO B 37 -5.441 21.992 -6.049 1.00 0.00 O ATOM 529 CB PRO B 37 -3.044 23.228 -7.484 1.00 0.00 C ATOM 530 CG PRO B 37 -3.211 24.487 -8.259 1.00 0.00 C ATOM 531 CD PRO B 37 -4.677 24.589 -8.557 1.00 0.00 C ATOM 0 HA PRO B 37 -3.732 21.554 -8.747 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -3.178 23.401 -6.416 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -2.045 22.812 -7.617 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -2.867 25.348 -7.686 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -2.626 24.462 -9.178 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -5.212 25.122 -7.771 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -4.863 25.124 -9.488 1.00 0.00 H new ATOM 539 N GLN B 38 -4.458 20.168 -6.906 1.00 0.00 N ATOM 540 CA GLN B 38 -4.995 19.278 -5.890 1.00 0.00 C ATOM 541 C GLN B 38 -3.929 18.940 -4.853 1.00 0.00 C ATOM 542 O GLN B 38 -2.963 18.233 -5.154 1.00 0.00 O ATOM 543 CB GLN B 38 -5.511 17.994 -6.531 1.00 0.00 C ATOM 544 CG GLN B 38 -6.572 18.216 -7.591 1.00 0.00 C ATOM 545 CD GLN B 38 -7.055 16.915 -8.189 1.00 0.00 C ATOM 546 OE1 GLN B 38 -6.504 16.427 -9.177 1.00 0.00 O ATOM 547 NE2 GLN B 38 -8.077 16.336 -7.586 1.00 0.00 N ATOM 0 H GLN B 38 -3.870 19.710 -7.602 1.00 0.00 H new ATOM 0 HA GLN B 38 -5.820 19.788 -5.393 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -4.672 17.461 -6.978 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -5.920 17.350 -5.752 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -7.416 18.749 -7.153 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -6.169 18.850 -8.380 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -8.503 16.775 -6.770 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -8.440 15.449 -7.936 1.00 0.00 H new ATOM 556 N PRO B 39 -4.088 19.440 -3.618 1.00 0.00 N ATOM 557 CA PRO B 39 -3.131 19.187 -2.541 1.00 0.00 C ATOM 558 C PRO B 39 -3.115 17.720 -2.123 1.00 0.00 C ATOM 559 O PRO B 39 -4.145 17.166 -1.735 1.00 0.00 O ATOM 560 CB PRO B 39 -3.627 20.072 -1.394 1.00 0.00 C ATOM 561 CG PRO B 39 -5.073 20.293 -1.677 1.00 0.00 C ATOM 562 CD PRO B 39 -5.215 20.282 -3.173 1.00 0.00 C ATOM 0 HA PRO B 39 -2.108 19.410 -2.844 1.00 0.00 H new ATOM 0 HB2 PRO B 39 -3.483 19.586 -0.429 1.00 0.00 H new ATOM 0 HB3 PRO B 39 -3.083 21.016 -1.359 1.00 0.00 H new ATOM 0 HG2 PRO B 39 -5.682 19.512 -1.223 1.00 0.00 H new ATOM 0 HG3 PRO B 39 -5.410 21.242 -1.261 1.00 0.00 H new ATOM 0 HD2 PRO B 39 -6.174 19.866 -3.482 1.00 0.00 H new ATOM 0 HD3 PRO B 39 -5.154 21.287 -3.590 1.00 0.00 H new ATOM 570 N SER B 40 -1.943 17.101 -2.227 1.00 0.00 N ATOM 571 CA SER B 40 -1.763 15.699 -1.867 1.00 0.00 C ATOM 572 C SER B 40 -2.665 14.802 -2.717 1.00 0.00 C ATOM 573 O SER B 40 -3.367 13.927 -2.205 1.00 0.00 O ATOM 574 CB SER B 40 -2.033 15.488 -0.370 1.00 0.00 C ATOM 575 OG SER B 40 -1.672 14.177 0.038 1.00 0.00 O ATOM 0 H SER B 40 -1.094 17.556 -2.562 1.00 0.00 H new ATOM 0 HA SER B 40 -0.728 15.422 -2.068 1.00 0.00 H new ATOM 0 HB2 SER B 40 -1.471 16.220 0.210 1.00 0.00 H new ATOM 0 HB3 SER B 40 -3.089 15.659 -0.161 1.00 0.00 H new ATOM 0 HG SER B 40 -0.855 13.903 -0.428 1.00 0.00 H new ATOM 581 N HIS B 41 -2.655 15.037 -4.021 1.00 0.00 N ATOM 582 CA HIS B 41 -3.423 14.221 -4.950 1.00 0.00 C ATOM 583 C HIS B 41 -2.625 12.990 -5.359 1.00 0.00 C ATOM 584 O HIS B 41 -1.466 13.101 -5.751 1.00 0.00 O ATOM 585 CB HIS B 41 -3.810 15.043 -6.187 1.00 0.00 C ATOM 586 CG HIS B 41 -4.439 14.244 -7.293 1.00 0.00 C ATOM 587 ND1 HIS B 41 -5.730 13.765 -7.242 1.00 0.00 N ATOM 588 CD2 HIS B 41 -3.937 13.839 -8.484 1.00 0.00 C ATOM 589 CE1 HIS B 41 -5.993 13.099 -8.352 1.00 0.00 C ATOM 590 NE2 HIS B 41 -4.921 13.131 -9.121 1.00 0.00 N ATOM 0 H HIS B 41 -2.122 15.788 -4.460 1.00 0.00 H new ATOM 0 HA HIS B 41 -4.335 13.892 -4.452 1.00 0.00 H new ATOM 0 HB2 HIS B 41 -4.502 15.828 -5.884 1.00 0.00 H new ATOM 0 HB3 HIS B 41 -2.918 15.536 -6.574 1.00 0.00 H new ATOM 0 HD2 HIS B 41 -2.945 14.038 -8.861 1.00 0.00 H new ATOM 0 HE1 HIS B 41 -6.927 12.611 -8.590 1.00 0.00 H new ATOM 0 HE2 HIS B 41 -4.839 12.698 -10.041 1.00 0.00 H new ATOM 599 N ILE B 42 -3.248 11.828 -5.260 1.00 0.00 N ATOM 600 CA ILE B 42 -2.622 10.585 -5.681 1.00 0.00 C ATOM 601 C ILE B 42 -3.010 10.277 -7.123 1.00 0.00 C ATOM 602 O ILE B 42 -4.181 10.348 -7.488 1.00 0.00 O ATOM 603 CB ILE B 42 -3.014 9.394 -4.764 1.00 0.00 C ATOM 604 CG1 ILE B 42 -2.364 9.517 -3.378 1.00 0.00 C ATOM 605 CG2 ILE B 42 -2.621 8.070 -5.402 1.00 0.00 C ATOM 606 CD1 ILE B 42 -2.966 10.584 -2.491 1.00 0.00 C ATOM 0 H ILE B 42 -4.192 11.719 -4.890 1.00 0.00 H new ATOM 0 HA ILE B 42 -1.543 10.716 -5.605 1.00 0.00 H new ATOM 0 HB ILE B 42 -4.097 9.421 -4.640 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.439 8.556 -2.870 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.302 9.727 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -2.905 7.250 -4.743 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.133 7.961 -6.358 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.543 8.049 -5.563 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.445 10.598 -1.534 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.867 11.557 -2.973 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -4.021 10.367 -2.326 1.00 0.00 H new ATOM 618 N SER B 43 -2.017 9.960 -7.942 1.00 0.00 N ATOM 619 CA SER B 43 -2.248 9.675 -9.347 1.00 0.00 C ATOM 620 C SER B 43 -2.480 8.180 -9.559 1.00 0.00 C ATOM 621 O SER B 43 -3.217 7.777 -10.462 1.00 0.00 O ATOM 622 CB SER B 43 -1.060 10.161 -10.182 1.00 0.00 C ATOM 623 OG SER B 43 -1.311 10.022 -11.571 1.00 0.00 O ATOM 0 H SER B 43 -1.041 9.894 -7.654 1.00 0.00 H new ATOM 0 HA SER B 43 -3.143 10.206 -9.671 1.00 0.00 H new ATOM 0 HB2 SER B 43 -0.855 11.206 -9.951 1.00 0.00 H new ATOM 0 HB3 SER B 43 -0.169 9.594 -9.913 1.00 0.00 H new ATOM 0 HG SER B 43 -0.535 10.342 -12.077 1.00 0.00 H new ATOM 629 N LYS B 44 -1.853 7.359 -8.724 1.00 0.00 N ATOM 630 CA LYS B 44 -2.040 5.917 -8.792 1.00 0.00 C ATOM 631 C LYS B 44 -1.559 5.245 -7.511 1.00 0.00 C ATOM 632 O LYS B 44 -0.598 5.693 -6.882 1.00 0.00 O ATOM 633 CB LYS B 44 -1.310 5.321 -10.007 1.00 0.00 C ATOM 634 CG LYS B 44 0.193 5.558 -10.022 1.00 0.00 C ATOM 635 CD LYS B 44 0.845 4.868 -11.209 1.00 0.00 C ATOM 636 CE LYS B 44 2.344 5.116 -11.256 1.00 0.00 C ATOM 637 NZ LYS B 44 2.677 6.512 -11.649 1.00 0.00 N ATOM 0 H LYS B 44 -1.212 7.668 -7.993 1.00 0.00 H new ATOM 0 HA LYS B 44 -3.108 5.729 -8.905 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -1.496 4.247 -10.035 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -1.740 5.743 -10.915 1.00 0.00 H new ATOM 0 HG2 LYS B 44 0.395 6.628 -10.064 1.00 0.00 H new ATOM 0 HG3 LYS B 44 0.632 5.187 -9.096 1.00 0.00 H new ATOM 0 HD2 LYS B 44 0.656 3.796 -11.154 1.00 0.00 H new ATOM 0 HD3 LYS B 44 0.389 5.225 -12.132 1.00 0.00 H new ATOM 0 HE2 LYS B 44 2.775 4.904 -10.278 1.00 0.00 H new ATOM 0 HE3 LYS B 44 2.802 4.424 -11.963 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 3.710 6.626 -11.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 2.275 6.714 -12.587 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 2.279 7.173 -10.952 1.00 0.00 H new ATOM 651 N TYR B 45 -2.251 4.188 -7.124 1.00 0.00 N ATOM 652 CA TYR B 45 -1.858 3.378 -5.984 1.00 0.00 C ATOM 653 C TYR B 45 -1.231 2.088 -6.484 1.00 0.00 C ATOM 654 O TYR B 45 -1.781 1.431 -7.366 1.00 0.00 O ATOM 655 CB TYR B 45 -3.064 3.021 -5.111 1.00 0.00 C ATOM 656 CG TYR B 45 -3.863 4.197 -4.595 1.00 0.00 C ATOM 657 CD1 TYR B 45 -5.053 4.568 -5.205 1.00 0.00 C ATOM 658 CD2 TYR B 45 -3.447 4.912 -3.478 1.00 0.00 C ATOM 659 CE1 TYR B 45 -5.807 5.616 -4.718 1.00 0.00 C ATOM 660 CE2 TYR B 45 -4.195 5.967 -2.989 1.00 0.00 C ATOM 661 CZ TYR B 45 -5.376 6.312 -3.613 1.00 0.00 C ATOM 662 OH TYR B 45 -6.132 7.351 -3.123 1.00 0.00 O ATOM 0 H TYR B 45 -3.100 3.867 -7.590 1.00 0.00 H new ATOM 0 HA TYR B 45 -1.150 3.954 -5.388 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -3.729 2.376 -5.686 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -2.714 2.439 -4.258 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -5.395 4.027 -6.075 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.526 4.639 -2.985 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -6.733 5.889 -5.203 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -3.857 6.518 -2.124 1.00 0.00 H new ATOM 0 HH TYR B 45 -7.014 7.017 -2.858 1.00 0.00 H new ATOM 672 N ILE B 46 -0.085 1.727 -5.944 1.00 0.00 N ATOM 673 CA ILE B 46 0.540 0.469 -6.301 1.00 0.00 C ATOM 674 C ILE B 46 0.461 -0.498 -5.129 1.00 0.00 C ATOM 675 O ILE B 46 0.975 -0.222 -4.044 1.00 0.00 O ATOM 676 CB ILE B 46 2.017 0.637 -6.754 1.00 0.00 C ATOM 677 CG1 ILE B 46 2.107 1.369 -8.102 1.00 0.00 C ATOM 678 CG2 ILE B 46 2.705 -0.717 -6.859 1.00 0.00 C ATOM 679 CD1 ILE B 46 1.817 2.852 -8.030 1.00 0.00 C ATOM 0 H ILE B 46 0.430 2.282 -5.261 1.00 0.00 H new ATOM 0 HA ILE B 46 -0.009 0.069 -7.153 1.00 0.00 H new ATOM 0 HB ILE B 46 2.524 1.238 -5.999 1.00 0.00 H new ATOM 0 HG12 ILE B 46 3.107 1.226 -8.513 1.00 0.00 H new ATOM 0 HG13 ILE B 46 1.407 0.908 -8.799 1.00 0.00 H new ATOM 0 HG21 ILE B 46 3.738 -0.577 -7.178 1.00 0.00 H new ATOM 0 HG22 ILE B 46 2.689 -1.210 -5.887 1.00 0.00 H new ATOM 0 HG23 ILE B 46 2.181 -1.336 -7.588 1.00 0.00 H new ATOM 0 HD11 ILE B 46 1.903 3.288 -9.025 1.00 0.00 H new ATOM 0 HD12 ILE B 46 0.807 3.007 -7.652 1.00 0.00 H new ATOM 0 HD13 ILE B 46 2.532 3.331 -7.361 1.00 0.00 H new ATOM 691 N LEU B 47 -0.216 -1.611 -5.347 1.00 0.00 N ATOM 692 CA LEU B 47 -0.343 -2.641 -4.333 1.00 0.00 C ATOM 693 C LEU B 47 0.713 -3.709 -4.588 1.00 0.00 C ATOM 694 O LEU B 47 0.682 -4.387 -5.613 1.00 0.00 O ATOM 695 CB LEU B 47 -1.755 -3.256 -4.382 1.00 0.00 C ATOM 696 CG LEU B 47 -2.301 -3.850 -3.067 1.00 0.00 C ATOM 697 CD1 LEU B 47 -1.399 -4.944 -2.523 1.00 0.00 C ATOM 698 CD2 LEU B 47 -2.502 -2.765 -2.022 1.00 0.00 C ATOM 0 H LEU B 47 -0.690 -1.825 -6.225 1.00 0.00 H new ATOM 0 HA LEU B 47 -0.193 -2.211 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -2.449 -2.487 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.757 -4.042 -5.137 1.00 0.00 H new ATOM 0 HG LEU B 47 -3.268 -4.299 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU B 47 -1.820 -5.335 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU B 47 -1.321 -5.748 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -0.408 -4.535 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -2.887 -3.210 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.549 -2.277 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -3.214 -2.028 -2.395 1.00 0.00 H new ATOM 710 N ARG B 48 1.667 -3.821 -3.679 1.00 0.00 N ATOM 711 CA ARG B 48 2.700 -4.843 -3.779 1.00 0.00 C ATOM 712 C ARG B 48 2.554 -5.843 -2.649 1.00 0.00 C ATOM 713 O ARG B 48 2.391 -5.456 -1.494 1.00 0.00 O ATOM 714 CB ARG B 48 4.095 -4.216 -3.730 1.00 0.00 C ATOM 715 CG ARG B 48 4.459 -3.420 -4.958 1.00 0.00 C ATOM 716 CD ARG B 48 5.776 -2.699 -4.760 1.00 0.00 C ATOM 717 NE ARG B 48 6.158 -1.947 -5.945 1.00 0.00 N ATOM 718 CZ ARG B 48 6.783 -0.769 -5.917 1.00 0.00 C ATOM 719 NH1 ARG B 48 7.116 -0.213 -4.758 1.00 0.00 N ATOM 720 NH2 ARG B 48 7.083 -0.150 -7.052 1.00 0.00 N ATOM 0 H ARG B 48 1.749 -3.217 -2.861 1.00 0.00 H new ATOM 0 HA ARG B 48 2.580 -5.353 -4.735 1.00 0.00 H new ATOM 0 HB2 ARG B 48 4.158 -3.566 -2.857 1.00 0.00 H new ATOM 0 HB3 ARG B 48 4.832 -5.007 -3.592 1.00 0.00 H new ATOM 0 HG2 ARG B 48 4.528 -4.084 -5.820 1.00 0.00 H new ATOM 0 HG3 ARG B 48 3.672 -2.697 -5.175 1.00 0.00 H new ATOM 0 HD2 ARG B 48 5.697 -2.023 -3.909 1.00 0.00 H new ATOM 0 HD3 ARG B 48 6.555 -3.423 -4.521 1.00 0.00 H new ATOM 0 HE ARG B 48 5.933 -2.346 -6.856 1.00 0.00 H new ATOM 0 HH11 ARG B 48 6.894 -0.687 -3.883 1.00 0.00 H new ATOM 0 HH12 ARG B 48 7.594 0.688 -4.743 1.00 0.00 H new ATOM 0 HH21 ARG B 48 6.836 -0.575 -7.946 1.00 0.00 H new ATOM 0 HH22 ARG B 48 7.561 0.751 -7.031 1.00 0.00 H new ATOM 734 N TRP B 49 2.596 -7.122 -2.978 1.00 0.00 N ATOM 735 CA TRP B 49 2.526 -8.155 -1.962 1.00 0.00 C ATOM 736 C TRP B 49 3.493 -9.288 -2.270 1.00 0.00 C ATOM 737 O TRP B 49 3.705 -9.650 -3.432 1.00 0.00 O ATOM 738 CB TRP B 49 1.091 -8.682 -1.796 1.00 0.00 C ATOM 739 CG TRP B 49 0.531 -9.404 -2.991 1.00 0.00 C ATOM 740 CD1 TRP B 49 0.426 -10.756 -3.153 1.00 0.00 C ATOM 741 CD2 TRP B 49 -0.018 -8.815 -4.177 1.00 0.00 C ATOM 742 NE1 TRP B 49 -0.157 -11.043 -4.364 1.00 0.00 N ATOM 743 CE2 TRP B 49 -0.435 -9.869 -5.012 1.00 0.00 C ATOM 744 CE3 TRP B 49 -0.195 -7.502 -4.617 1.00 0.00 C ATOM 745 CZ2 TRP B 49 -1.020 -9.647 -6.255 1.00 0.00 C ATOM 746 CZ3 TRP B 49 -0.776 -7.283 -5.852 1.00 0.00 C ATOM 747 CH2 TRP B 49 -1.183 -8.351 -6.658 1.00 0.00 C ATOM 0 H TRP B 49 2.678 -7.468 -3.934 1.00 0.00 H new ATOM 0 HA TRP B 49 2.823 -7.707 -1.014 1.00 0.00 H new ATOM 0 HB2 TRP B 49 1.065 -9.356 -0.940 1.00 0.00 H new ATOM 0 HB3 TRP B 49 0.438 -7.842 -1.560 1.00 0.00 H new ATOM 0 HD1 TRP B 49 0.753 -11.492 -2.434 1.00 0.00 H new ATOM 0 HE1 TRP B 49 -0.351 -11.978 -4.722 1.00 0.00 H new ATOM 0 HE3 TRP B 49 0.117 -6.671 -4.002 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 -1.334 -10.470 -6.880 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 -0.918 -6.271 -6.200 1.00 0.00 H new ATOM 0 HH2 TRP B 49 -1.635 -8.148 -7.618 1.00 0.00 H new ATOM 758 N ARG B 50 4.102 -9.815 -1.219 1.00 0.00 N ATOM 759 CA ARG B 50 5.032 -10.927 -1.335 1.00 0.00 C ATOM 760 C ARG B 50 4.831 -11.885 -0.169 1.00 0.00 C ATOM 761 O ARG B 50 4.717 -11.452 0.979 1.00 0.00 O ATOM 762 CB ARG B 50 6.477 -10.421 -1.332 1.00 0.00 C ATOM 763 CG ARG B 50 7.505 -11.517 -1.571 1.00 0.00 C ATOM 764 CD ARG B 50 8.921 -11.020 -1.337 1.00 0.00 C ATOM 765 NE ARG B 50 9.163 -10.699 0.070 1.00 0.00 N ATOM 766 CZ ARG B 50 10.188 -9.966 0.499 1.00 0.00 C ATOM 767 NH1 ARG B 50 11.087 -9.511 -0.364 1.00 0.00 N ATOM 768 NH2 ARG B 50 10.327 -9.706 1.793 1.00 0.00 N ATOM 0 H ARG B 50 3.966 -9.485 -0.264 1.00 0.00 H new ATOM 0 HA ARG B 50 4.841 -11.444 -2.275 1.00 0.00 H new ATOM 0 HB2 ARG B 50 6.587 -9.657 -2.101 1.00 0.00 H new ATOM 0 HB3 ARG B 50 6.684 -9.942 -0.375 1.00 0.00 H new ATOM 0 HG2 ARG B 50 7.301 -12.358 -0.909 1.00 0.00 H new ATOM 0 HG3 ARG B 50 7.413 -11.886 -2.593 1.00 0.00 H new ATOM 0 HD2 ARG B 50 9.631 -11.780 -1.663 1.00 0.00 H new ATOM 0 HD3 ARG B 50 9.100 -10.135 -1.947 1.00 0.00 H new ATOM 0 HE ARG B 50 8.507 -11.058 0.764 1.00 0.00 H new ATOM 0 HH11 ARG B 50 10.993 -9.723 -1.357 1.00 0.00 H new ATOM 0 HH12 ARG B 50 11.872 -8.949 -0.034 1.00 0.00 H new ATOM 0 HH21 ARG B 50 9.647 -10.068 2.462 1.00 0.00 H new ATOM 0 HH22 ARG B 50 11.113 -9.144 2.119 1.00 0.00 H new ATOM 782 N PRO B 51 4.751 -13.196 -0.450 1.00 0.00 N ATOM 783 CA PRO B 51 4.671 -14.224 0.590 1.00 0.00 C ATOM 784 C PRO B 51 5.777 -14.081 1.633 1.00 0.00 C ATOM 785 O PRO B 51 6.961 -14.203 1.324 1.00 0.00 O ATOM 786 CB PRO B 51 4.836 -15.529 -0.188 1.00 0.00 C ATOM 787 CG PRO B 51 4.341 -15.216 -1.555 1.00 0.00 C ATOM 788 CD PRO B 51 4.699 -13.776 -1.806 1.00 0.00 C ATOM 0 HA PRO B 51 3.740 -14.163 1.153 1.00 0.00 H new ATOM 0 HB2 PRO B 51 5.877 -15.850 -0.207 1.00 0.00 H new ATOM 0 HB3 PRO B 51 4.262 -16.337 0.266 1.00 0.00 H new ATOM 0 HG2 PRO B 51 4.803 -15.868 -2.296 1.00 0.00 H new ATOM 0 HG3 PRO B 51 3.264 -15.368 -1.624 1.00 0.00 H new ATOM 0 HD2 PRO B 51 5.656 -13.683 -2.320 1.00 0.00 H new ATOM 0 HD3 PRO B 51 3.954 -13.279 -2.427 1.00 0.00 H new ATOM 796 N LYS B 52 5.371 -13.808 2.861 1.00 0.00 N ATOM 797 CA LYS B 52 6.291 -13.665 3.982 1.00 0.00 C ATOM 798 C LYS B 52 6.707 -15.040 4.482 1.00 0.00 C ATOM 799 O LYS B 52 7.835 -15.251 4.921 1.00 0.00 O ATOM 800 CB LYS B 52 5.594 -12.889 5.099 1.00 0.00 C ATOM 801 CG LYS B 52 6.455 -12.610 6.319 1.00 0.00 C ATOM 802 CD LYS B 52 7.622 -11.695 6.000 1.00 0.00 C ATOM 803 CE LYS B 52 8.214 -11.104 7.265 1.00 0.00 C ATOM 804 NZ LYS B 52 7.224 -10.271 8.004 1.00 0.00 N ATOM 0 H LYS B 52 4.391 -13.678 3.112 1.00 0.00 H new ATOM 0 HA LYS B 52 7.182 -13.124 3.664 1.00 0.00 H new ATOM 0 HB2 LYS B 52 5.242 -11.939 4.696 1.00 0.00 H new ATOM 0 HB3 LYS B 52 4.713 -13.448 5.415 1.00 0.00 H new ATOM 0 HG2 LYS B 52 5.842 -12.156 7.098 1.00 0.00 H new ATOM 0 HG3 LYS B 52 6.832 -13.551 6.718 1.00 0.00 H new ATOM 0 HD2 LYS B 52 8.389 -12.252 5.462 1.00 0.00 H new ATOM 0 HD3 LYS B 52 7.290 -10.893 5.341 1.00 0.00 H new ATOM 0 HE2 LYS B 52 8.566 -11.908 7.911 1.00 0.00 H new ATOM 0 HE3 LYS B 52 9.082 -10.496 7.010 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 7.710 -9.467 8.449 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 6.505 -9.917 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 6.765 -10.847 8.738 1.00 0.00 H new ATOM 818 N ASN B 53 5.767 -15.972 4.396 1.00 0.00 N ATOM 819 CA ASN B 53 5.981 -17.347 4.841 1.00 0.00 C ATOM 820 C ASN B 53 7.032 -18.040 3.978 1.00 0.00 C ATOM 821 O ASN B 53 7.676 -18.996 4.402 1.00 0.00 O ATOM 822 CB ASN B 53 4.659 -18.118 4.780 1.00 0.00 C ATOM 823 CG ASN B 53 4.746 -19.501 5.397 1.00 0.00 C ATOM 824 OD1 ASN B 53 4.556 -19.665 6.599 1.00 0.00 O ATOM 825 ND2 ASN B 53 5.005 -20.505 4.578 1.00 0.00 N ATOM 0 H ASN B 53 4.836 -15.799 4.017 1.00 0.00 H new ATOM 0 HA ASN B 53 6.344 -17.329 5.869 1.00 0.00 H new ATOM 0 HB2 ASN B 53 3.888 -17.545 5.295 1.00 0.00 H new ATOM 0 HB3 ASN B 53 4.347 -18.210 3.740 1.00 0.00 H new ATOM 0 HD21 ASN B 53 5.053 -21.458 4.939 1.00 0.00 H new ATOM 0 HD22 ASN B 53 5.157 -20.327 3.585 1.00 0.00 H new ATOM 832 N SER B 54 7.197 -17.542 2.765 1.00 0.00 N ATOM 833 CA SER B 54 8.176 -18.078 1.836 1.00 0.00 C ATOM 834 C SER B 54 9.145 -16.974 1.429 1.00 0.00 C ATOM 835 O SER B 54 9.147 -15.903 2.039 1.00 0.00 O ATOM 836 CB SER B 54 7.458 -18.636 0.609 1.00 0.00 C ATOM 837 OG SER B 54 6.390 -19.486 0.992 1.00 0.00 O ATOM 0 H SER B 54 6.658 -16.758 2.397 1.00 0.00 H new ATOM 0 HA SER B 54 8.738 -18.882 2.312 1.00 0.00 H new ATOM 0 HB2 SER B 54 7.076 -17.816 0.002 1.00 0.00 H new ATOM 0 HB3 SER B 54 8.164 -19.189 -0.011 1.00 0.00 H new ATOM 0 HG SER B 54 5.943 -19.831 0.191 1.00 0.00 H new ATOM 843 N VAL B 55 9.982 -17.222 0.430 1.00 0.00 N ATOM 844 CA VAL B 55 10.800 -16.160 -0.113 1.00 0.00 C ATOM 845 C VAL B 55 9.927 -15.255 -0.985 1.00 0.00 C ATOM 846 O VAL B 55 9.954 -14.033 -0.847 1.00 0.00 O ATOM 847 CB VAL B 55 12.018 -16.702 -0.899 1.00 0.00 C ATOM 848 CG1 VAL B 55 11.600 -17.572 -2.075 1.00 0.00 C ATOM 849 CG2 VAL B 55 12.890 -15.556 -1.362 1.00 0.00 C ATOM 0 H VAL B 55 10.107 -18.134 -0.010 1.00 0.00 H new ATOM 0 HA VAL B 55 11.211 -15.580 0.713 1.00 0.00 H new ATOM 0 HB VAL B 55 12.592 -17.336 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL B 55 12.488 -17.930 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL B 55 11.025 -18.424 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL B 55 10.987 -16.987 -2.761 1.00 0.00 H new ATOM 0 HG21 VAL B 55 13.744 -15.949 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL B 55 12.311 -14.897 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL B 55 13.244 -14.995 -0.497 1.00 0.00 H new ATOM 859 N GLY B 56 9.130 -15.873 -1.851 1.00 0.00 N ATOM 860 CA GLY B 56 8.109 -15.155 -2.582 1.00 0.00 C ATOM 861 C GLY B 56 8.638 -14.270 -3.695 1.00 0.00 C ATOM 862 O GLY B 56 9.832 -13.971 -3.769 1.00 0.00 O ATOM 0 H GLY B 56 9.177 -16.870 -2.059 1.00 0.00 H new ATOM 0 HA2 GLY B 56 7.411 -15.875 -3.008 1.00 0.00 H new ATOM 0 HA3 GLY B 56 7.544 -14.539 -1.882 1.00 0.00 H new ATOM 866 N ARG B 57 7.732 -13.868 -4.569 1.00 0.00 N ATOM 867 CA ARG B 57 8.025 -12.911 -5.620 1.00 0.00 C ATOM 868 C ARG B 57 7.139 -11.685 -5.442 1.00 0.00 C ATOM 869 O ARG B 57 5.971 -11.816 -5.072 1.00 0.00 O ATOM 870 CB ARG B 57 7.772 -13.530 -6.997 1.00 0.00 C ATOM 871 CG ARG B 57 8.732 -14.648 -7.368 1.00 0.00 C ATOM 872 CD ARG B 57 10.157 -14.140 -7.511 1.00 0.00 C ATOM 873 NE ARG B 57 10.247 -13.004 -8.432 1.00 0.00 N ATOM 874 CZ ARG B 57 11.283 -12.768 -9.233 1.00 0.00 C ATOM 875 NH1 ARG B 57 12.318 -13.601 -9.257 1.00 0.00 N ATOM 876 NH2 ARG B 57 11.283 -11.692 -10.008 1.00 0.00 N ATOM 0 H ARG B 57 6.767 -14.199 -4.569 1.00 0.00 H new ATOM 0 HA ARG B 57 9.075 -12.625 -5.555 1.00 0.00 H new ATOM 0 HB2 ARG B 57 6.754 -13.917 -7.026 1.00 0.00 H new ATOM 0 HB3 ARG B 57 7.837 -12.746 -7.752 1.00 0.00 H new ATOM 0 HG2 ARG B 57 8.698 -15.426 -6.605 1.00 0.00 H new ATOM 0 HG3 ARG B 57 8.413 -15.106 -8.304 1.00 0.00 H new ATOM 0 HD2 ARG B 57 10.536 -13.844 -6.533 1.00 0.00 H new ATOM 0 HD3 ARG B 57 10.795 -14.948 -7.869 1.00 0.00 H new ATOM 0 HE ARG B 57 9.464 -12.351 -8.461 1.00 0.00 H new ATOM 0 HH11 ARG B 57 12.322 -14.427 -8.659 1.00 0.00 H new ATOM 0 HH12 ARG B 57 13.109 -13.414 -9.873 1.00 0.00 H new ATOM 0 HH21 ARG B 57 10.491 -11.049 -9.988 1.00 0.00 H new ATOM 0 HH22 ARG B 57 12.075 -11.507 -10.624 1.00 0.00 H new ATOM 890 N TRP B 58 7.692 -10.504 -5.686 1.00 0.00 N ATOM 891 CA TRP B 58 6.920 -9.274 -5.575 1.00 0.00 C ATOM 892 C TRP B 58 5.879 -9.188 -6.680 1.00 0.00 C ATOM 893 O TRP B 58 6.220 -9.090 -7.860 1.00 0.00 O ATOM 894 CB TRP B 58 7.831 -8.045 -5.648 1.00 0.00 C ATOM 895 CG TRP B 58 8.641 -7.805 -4.413 1.00 0.00 C ATOM 896 CD1 TRP B 58 9.997 -7.895 -4.290 1.00 0.00 C ATOM 897 CD2 TRP B 58 8.143 -7.427 -3.125 1.00 0.00 C ATOM 898 NE1 TRP B 58 10.373 -7.589 -3.004 1.00 0.00 N ATOM 899 CE2 TRP B 58 9.252 -7.301 -2.271 1.00 0.00 C ATOM 900 CE3 TRP B 58 6.866 -7.181 -2.615 1.00 0.00 C ATOM 901 CZ2 TRP B 58 9.122 -6.941 -0.932 1.00 0.00 C ATOM 902 CZ3 TRP B 58 6.739 -6.827 -1.286 1.00 0.00 C ATOM 903 CH2 TRP B 58 7.862 -6.707 -0.458 1.00 0.00 C ATOM 0 H TRP B 58 8.666 -10.372 -5.960 1.00 0.00 H new ATOM 0 HA TRP B 58 6.419 -9.290 -4.607 1.00 0.00 H new ATOM 0 HB2 TRP B 58 8.507 -8.158 -6.496 1.00 0.00 H new ATOM 0 HB3 TRP B 58 7.219 -7.165 -5.844 1.00 0.00 H new ATOM 0 HD1 TRP B 58 10.675 -8.167 -5.086 1.00 0.00 H new ATOM 0 HE1 TRP B 58 11.331 -7.578 -2.653 1.00 0.00 H new ATOM 0 HE3 TRP B 58 5.995 -7.266 -3.248 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 9.986 -6.850 -0.291 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 5.757 -6.639 -0.878 1.00 0.00 H new ATOM 0 HH2 TRP B 58 7.730 -6.424 0.576 1.00 0.00 H new ATOM 914 N LYS B 59 4.616 -9.226 -6.297 1.00 0.00 N ATOM 915 CA LYS B 59 3.529 -9.046 -7.243 1.00 0.00 C ATOM 916 C LYS B 59 2.991 -7.630 -7.117 1.00 0.00 C ATOM 917 O LYS B 59 2.804 -7.131 -6.006 1.00 0.00 O ATOM 918 CB LYS B 59 2.420 -10.068 -6.990 1.00 0.00 C ATOM 919 CG LYS B 59 2.867 -11.514 -7.146 1.00 0.00 C ATOM 920 CD LYS B 59 1.721 -12.475 -6.880 1.00 0.00 C ATOM 921 CE LYS B 59 2.145 -13.926 -7.043 1.00 0.00 C ATOM 922 NZ LYS B 59 3.177 -14.327 -6.049 1.00 0.00 N ATOM 0 H LYS B 59 4.317 -9.380 -5.334 1.00 0.00 H new ATOM 0 HA LYS B 59 3.901 -9.203 -8.255 1.00 0.00 H new ATOM 0 HB2 LYS B 59 2.031 -9.925 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS B 59 1.598 -9.876 -7.679 1.00 0.00 H new ATOM 0 HG2 LYS B 59 3.251 -11.672 -8.154 1.00 0.00 H new ATOM 0 HG3 LYS B 59 3.686 -11.721 -6.457 1.00 0.00 H new ATOM 0 HD2 LYS B 59 1.344 -12.319 -5.869 1.00 0.00 H new ATOM 0 HD3 LYS B 59 0.900 -12.258 -7.563 1.00 0.00 H new ATOM 0 HE2 LYS B 59 1.273 -14.571 -6.938 1.00 0.00 H new ATOM 0 HE3 LYS B 59 2.535 -14.078 -8.050 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 3.324 -15.355 -6.097 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 4.071 -13.839 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 2.858 -14.067 -5.094 1.00 0.00 H new ATOM 936 N GLU B 60 2.767 -6.975 -8.247 1.00 0.00 N ATOM 937 CA GLU B 60 2.380 -5.572 -8.242 1.00 0.00 C ATOM 938 C GLU B 60 1.050 -5.359 -8.954 1.00 0.00 C ATOM 939 O GLU B 60 0.748 -6.028 -9.945 1.00 0.00 O ATOM 940 CB GLU B 60 3.457 -4.728 -8.922 1.00 0.00 C ATOM 941 CG GLU B 60 4.867 -5.060 -8.467 1.00 0.00 C ATOM 942 CD GLU B 60 5.901 -4.132 -9.059 1.00 0.00 C ATOM 943 OE1 GLU B 60 6.338 -3.199 -8.355 1.00 0.00 O ATOM 944 OE2 GLU B 60 6.285 -4.331 -10.230 1.00 0.00 O ATOM 0 H GLU B 60 2.846 -7.390 -9.175 1.00 0.00 H new ATOM 0 HA GLU B 60 2.269 -5.263 -7.202 1.00 0.00 H new ATOM 0 HB2 GLU B 60 3.390 -4.869 -10.001 1.00 0.00 H new ATOM 0 HB3 GLU B 60 3.259 -3.674 -8.725 1.00 0.00 H new ATOM 0 HG2 GLU B 60 4.916 -5.006 -7.379 1.00 0.00 H new ATOM 0 HG3 GLU B 60 5.103 -6.087 -8.747 1.00 0.00 H new ATOM 951 N ALA B 61 0.260 -4.432 -8.437 1.00 0.00 N ATOM 952 CA ALA B 61 -0.992 -4.044 -9.063 1.00 0.00 C ATOM 953 C ALA B 61 -1.144 -2.531 -9.034 1.00 0.00 C ATOM 954 O ALA B 61 -0.953 -1.907 -7.990 1.00 0.00 O ATOM 955 CB ALA B 61 -2.166 -4.708 -8.360 1.00 0.00 C ATOM 0 H ALA B 61 0.468 -3.929 -7.574 1.00 0.00 H new ATOM 0 HA ALA B 61 -0.981 -4.375 -10.101 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.096 -4.407 -8.842 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -2.061 -5.791 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.184 -4.403 -7.314 1.00 0.00 H new ATOM 961 N THR B 62 -1.472 -1.941 -10.172 1.00 0.00 N ATOM 962 CA THR B 62 -1.641 -0.499 -10.256 1.00 0.00 C ATOM 963 C THR B 62 -3.121 -0.122 -10.263 1.00 0.00 C ATOM 964 O THR B 62 -3.878 -0.516 -11.155 1.00 0.00 O ATOM 965 CB THR B 62 -0.951 0.077 -11.507 1.00 0.00 C ATOM 966 OG1 THR B 62 0.432 -0.304 -11.515 1.00 0.00 O ATOM 967 CG2 THR B 62 -1.056 1.595 -11.538 1.00 0.00 C ATOM 0 H THR B 62 -1.626 -2.437 -11.050 1.00 0.00 H new ATOM 0 HA THR B 62 -1.170 -0.068 -9.373 1.00 0.00 H new ATOM 0 HB THR B 62 -1.452 -0.324 -12.388 1.00 0.00 H new ATOM 0 HG1 THR B 62 0.868 0.062 -12.313 1.00 0.00 H new ATOM 0 HG21 THR B 62 -0.561 1.976 -12.431 1.00 0.00 H new ATOM 0 HG22 THR B 62 -2.106 1.887 -11.553 1.00 0.00 H new ATOM 0 HG23 THR B 62 -0.576 2.011 -10.652 1.00 0.00 H new ATOM 975 N ILE B 63 -3.525 0.627 -9.250 1.00 0.00 N ATOM 976 CA ILE B 63 -4.897 1.090 -9.121 1.00 0.00 C ATOM 977 C ILE B 63 -4.944 2.599 -9.351 1.00 0.00 C ATOM 978 O ILE B 63 -4.129 3.332 -8.795 1.00 0.00 O ATOM 979 CB ILE B 63 -5.479 0.779 -7.716 1.00 0.00 C ATOM 980 CG1 ILE B 63 -5.372 -0.714 -7.377 1.00 0.00 C ATOM 981 CG2 ILE B 63 -6.929 1.227 -7.625 1.00 0.00 C ATOM 982 CD1 ILE B 63 -4.042 -1.120 -6.776 1.00 0.00 C ATOM 0 H ILE B 63 -2.911 0.931 -8.494 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.498 0.566 -9.864 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.887 1.335 -6.989 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -6.168 -0.975 -6.680 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.540 -1.294 -8.284 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.318 1.000 -6.633 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.990 2.301 -7.802 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.520 0.702 -8.375 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.049 -2.190 -6.566 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.241 -0.894 -7.479 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.878 -0.569 -5.850 1.00 0.00 H new ATOM 994 N PRO B 64 -5.871 3.079 -10.201 1.00 0.00 N ATOM 995 CA PRO B 64 -6.059 4.516 -10.446 1.00 0.00 C ATOM 996 C PRO B 64 -6.173 5.313 -9.147 1.00 0.00 C ATOM 997 O PRO B 64 -6.740 4.830 -8.164 1.00 0.00 O ATOM 998 CB PRO B 64 -7.374 4.567 -11.220 1.00 0.00 C ATOM 999 CG PRO B 64 -7.446 3.257 -11.921 1.00 0.00 C ATOM 1000 CD PRO B 64 -6.799 2.259 -11.000 1.00 0.00 C ATOM 0 HA PRO B 64 -5.216 4.957 -10.978 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -8.223 4.706 -10.551 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -7.386 5.396 -11.927 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -8.480 2.982 -12.130 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -6.927 3.298 -12.879 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -7.535 1.758 -10.371 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -6.272 1.483 -11.555 1.00 0.00 H new ATOM 1008 N GLY B 65 -5.667 6.544 -9.162 1.00 0.00 N ATOM 1009 CA GLY B 65 -5.580 7.345 -7.948 1.00 0.00 C ATOM 1010 C GLY B 65 -6.912 7.916 -7.491 1.00 0.00 C ATOM 1011 O GLY B 65 -6.988 9.060 -7.044 1.00 0.00 O ATOM 0 H GLY B 65 -5.313 7.006 -10.000 1.00 0.00 H new ATOM 0 HA2 GLY B 65 -5.165 6.731 -7.148 1.00 0.00 H new ATOM 0 HA3 GLY B 65 -4.882 8.165 -8.115 1.00 0.00 H new ATOM 1015 N HIS B 66 -7.959 7.119 -7.592 1.00 0.00 N ATOM 1016 CA HIS B 66 -9.275 7.515 -7.121 1.00 0.00 C ATOM 1017 C HIS B 66 -10.075 6.289 -6.698 1.00 0.00 C ATOM 1018 O HIS B 66 -11.298 6.343 -6.578 1.00 0.00 O ATOM 1019 CB HIS B 66 -10.033 8.331 -8.184 1.00 0.00 C ATOM 1020 CG HIS B 66 -10.090 7.696 -9.542 1.00 0.00 C ATOM 1021 ND1 HIS B 66 -9.303 8.109 -10.593 1.00 0.00 N ATOM 1022 CD2 HIS B 66 -10.860 6.695 -10.024 1.00 0.00 C ATOM 1023 CE1 HIS B 66 -9.586 7.393 -11.662 1.00 0.00 C ATOM 1024 NE2 HIS B 66 -10.527 6.523 -11.345 1.00 0.00 N ATOM 0 H HIS B 66 -7.923 6.185 -8.000 1.00 0.00 H new ATOM 0 HA HIS B 66 -9.144 8.160 -6.252 1.00 0.00 H new ATOM 0 HB2 HIS B 66 -11.051 8.500 -7.834 1.00 0.00 H new ATOM 0 HB3 HIS B 66 -9.561 9.309 -8.275 1.00 0.00 H new ATOM 0 HD2 HIS B 66 -11.600 6.134 -9.472 1.00 0.00 H new ATOM 0 HE1 HIS B 66 -9.126 7.500 -12.633 1.00 0.00 H new ATOM 0 HE2 HIS B 66 -10.939 5.836 -11.977 1.00 0.00 H new ATOM 1033 N LEU B 67 -9.371 5.183 -6.483 1.00 0.00 N ATOM 1034 CA LEU B 67 -9.990 3.961 -5.989 1.00 0.00 C ATOM 1035 C LEU B 67 -9.279 3.524 -4.716 1.00 0.00 C ATOM 1036 O LEU B 67 -8.055 3.403 -4.698 1.00 0.00 O ATOM 1037 CB LEU B 67 -9.912 2.836 -7.029 1.00 0.00 C ATOM 1038 CG LEU B 67 -10.434 3.176 -8.427 1.00 0.00 C ATOM 1039 CD1 LEU B 67 -10.324 1.970 -9.341 1.00 0.00 C ATOM 1040 CD2 LEU B 67 -11.873 3.661 -8.365 1.00 0.00 C ATOM 0 H LEU B 67 -8.367 5.109 -6.644 1.00 0.00 H new ATOM 0 HA LEU B 67 -11.042 4.163 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -8.872 2.522 -7.118 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -10.472 1.980 -6.652 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.820 3.980 -8.832 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -10.699 2.228 -10.331 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -9.280 1.665 -9.417 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -10.913 1.149 -8.933 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -12.221 3.896 -9.371 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -12.502 2.881 -7.937 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -11.929 4.554 -7.743 1.00 0.00 H new ATOM 1052 N ASN B 68 -10.036 3.294 -3.659 1.00 0.00 N ATOM 1053 CA ASN B 68 -9.451 2.938 -2.372 1.00 0.00 C ATOM 1054 C ASN B 68 -9.838 1.521 -1.964 1.00 0.00 C ATOM 1055 O ASN B 68 -10.124 1.255 -0.795 1.00 0.00 O ATOM 1056 CB ASN B 68 -9.882 3.938 -1.290 1.00 0.00 C ATOM 1057 CG ASN B 68 -9.164 5.278 -1.385 1.00 0.00 C ATOM 1058 OD1 ASN B 68 -8.746 5.713 -2.461 1.00 0.00 O ATOM 1059 ND2 ASN B 68 -9.016 5.945 -0.254 1.00 0.00 N ATOM 0 H ASN B 68 -11.055 3.346 -3.662 1.00 0.00 H new ATOM 0 HA ASN B 68 -8.367 2.977 -2.476 1.00 0.00 H new ATOM 0 HB2 ASN B 68 -10.957 4.104 -1.366 1.00 0.00 H new ATOM 0 HB3 ASN B 68 -9.695 3.503 -0.308 1.00 0.00 H new ATOM 0 HD21 ASN B 68 -8.544 6.849 -0.253 1.00 0.00 H new ATOM 0 HD22 ASN B 68 -9.374 5.556 0.618 1.00 0.00 H new ATOM 1066 N SER B 69 -9.841 0.612 -2.930 1.00 0.00 N ATOM 1067 CA SER B 69 -10.184 -0.782 -2.676 1.00 0.00 C ATOM 1068 C SER B 69 -9.735 -1.657 -3.842 1.00 0.00 C ATOM 1069 O SER B 69 -9.963 -1.320 -5.005 1.00 0.00 O ATOM 1070 CB SER B 69 -11.695 -0.925 -2.452 1.00 0.00 C ATOM 1071 OG SER B 69 -12.066 -2.278 -2.229 1.00 0.00 O ATOM 0 H SER B 69 -9.608 0.816 -3.902 1.00 0.00 H new ATOM 0 HA SER B 69 -9.666 -1.111 -1.775 1.00 0.00 H new ATOM 0 HB2 SER B 69 -11.995 -0.319 -1.597 1.00 0.00 H new ATOM 0 HB3 SER B 69 -12.230 -0.539 -3.320 1.00 0.00 H new ATOM 0 HG SER B 69 -13.034 -2.333 -2.088 1.00 0.00 H new ATOM 1077 N TYR B 70 -9.092 -2.773 -3.527 1.00 0.00 N ATOM 1078 CA TYR B 70 -8.644 -3.714 -4.543 1.00 0.00 C ATOM 1079 C TYR B 70 -8.857 -5.145 -4.057 1.00 0.00 C ATOM 1080 O TYR B 70 -8.781 -5.418 -2.858 1.00 0.00 O ATOM 1081 CB TYR B 70 -7.166 -3.475 -4.876 1.00 0.00 C ATOM 1082 CG TYR B 70 -6.638 -4.328 -6.010 1.00 0.00 C ATOM 1083 CD1 TYR B 70 -5.847 -5.443 -5.762 1.00 0.00 C ATOM 1084 CD2 TYR B 70 -6.930 -4.013 -7.332 1.00 0.00 C ATOM 1085 CE1 TYR B 70 -5.364 -6.220 -6.797 1.00 0.00 C ATOM 1086 CE2 TYR B 70 -6.449 -4.785 -8.372 1.00 0.00 C ATOM 1087 CZ TYR B 70 -5.669 -5.887 -8.100 1.00 0.00 C ATOM 1088 OH TYR B 70 -5.188 -6.659 -9.135 1.00 0.00 O ATOM 0 H TYR B 70 -8.868 -3.049 -2.571 1.00 0.00 H new ATOM 0 HA TYR B 70 -9.229 -3.561 -5.450 1.00 0.00 H new ATOM 0 HB2 TYR B 70 -7.028 -2.425 -5.132 1.00 0.00 H new ATOM 0 HB3 TYR B 70 -6.569 -3.666 -3.984 1.00 0.00 H new ATOM 0 HD1 TYR B 70 -5.606 -5.707 -4.743 1.00 0.00 H new ATOM 0 HD2 TYR B 70 -7.543 -3.151 -7.550 1.00 0.00 H new ATOM 0 HE1 TYR B 70 -4.751 -7.084 -6.587 1.00 0.00 H new ATOM 0 HE2 TYR B 70 -6.684 -4.525 -9.394 1.00 0.00 H new ATOM 0 HH TYR B 70 -5.495 -6.289 -9.989 1.00 0.00 H new ATOM 1098 N THR B 71 -9.139 -6.049 -4.980 1.00 0.00 N ATOM 1099 CA THR B 71 -9.351 -7.445 -4.639 1.00 0.00 C ATOM 1100 C THR B 71 -8.156 -8.291 -5.073 1.00 0.00 C ATOM 1101 O THR B 71 -8.004 -8.607 -6.254 1.00 0.00 O ATOM 1102 CB THR B 71 -10.632 -7.978 -5.305 1.00 0.00 C ATOM 1103 OG1 THR B 71 -11.718 -7.081 -5.042 1.00 0.00 O ATOM 1104 CG2 THR B 71 -10.982 -9.369 -4.792 1.00 0.00 C ATOM 0 H THR B 71 -9.227 -5.840 -5.974 1.00 0.00 H new ATOM 0 HA THR B 71 -9.460 -7.514 -3.557 1.00 0.00 H new ATOM 0 HB THR B 71 -10.457 -8.045 -6.379 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.533 -7.420 -5.468 1.00 0.00 H new ATOM 0 HG21 THR B 71 -11.891 -9.719 -5.281 1.00 0.00 H new ATOM 0 HG22 THR B 71 -10.164 -10.055 -5.013 1.00 0.00 H new ATOM 0 HG23 THR B 71 -11.141 -9.330 -3.714 1.00 0.00 H new ATOM 1112 N ILE B 72 -7.300 -8.645 -4.122 1.00 0.00 N ATOM 1113 CA ILE B 72 -6.124 -9.454 -4.423 1.00 0.00 C ATOM 1114 C ILE B 72 -6.519 -10.919 -4.550 1.00 0.00 C ATOM 1115 O ILE B 72 -7.175 -11.467 -3.665 1.00 0.00 O ATOM 1116 CB ILE B 72 -5.036 -9.327 -3.336 1.00 0.00 C ATOM 1117 CG1 ILE B 72 -4.702 -7.857 -3.069 1.00 0.00 C ATOM 1118 CG2 ILE B 72 -3.785 -10.090 -3.752 1.00 0.00 C ATOM 1119 CD1 ILE B 72 -3.656 -7.664 -1.991 1.00 0.00 C ATOM 0 H ILE B 72 -7.397 -8.386 -3.140 1.00 0.00 H new ATOM 0 HA ILE B 72 -5.714 -9.084 -5.363 1.00 0.00 H new ATOM 0 HB ILE B 72 -5.420 -9.760 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE B 72 -4.350 -7.399 -3.993 1.00 0.00 H new ATOM 0 HG13 ILE B 72 -5.612 -7.332 -2.780 1.00 0.00 H new ATOM 0 HG21 ILE B 72 -3.025 -9.993 -2.977 1.00 0.00 H new ATOM 0 HG22 ILE B 72 -4.030 -11.143 -3.890 1.00 0.00 H new ATOM 0 HG23 ILE B 72 -3.404 -9.681 -4.688 1.00 0.00 H new ATOM 0 HD11 ILE B 72 -3.468 -6.599 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE B 72 -4.014 -8.093 -1.055 1.00 0.00 H new ATOM 0 HD13 ILE B 72 -2.732 -8.161 -2.287 1.00 0.00 H new ATOM 1131 N LYS B 73 -6.122 -11.546 -5.647 1.00 0.00 N ATOM 1132 CA LYS B 73 -6.493 -12.928 -5.912 1.00 0.00 C ATOM 1133 C LYS B 73 -5.266 -13.829 -5.869 1.00 0.00 C ATOM 1134 O LYS B 73 -4.190 -13.449 -6.331 1.00 0.00 O ATOM 1135 CB LYS B 73 -7.174 -13.035 -7.280 1.00 0.00 C ATOM 1136 CG LYS B 73 -8.379 -12.120 -7.432 1.00 0.00 C ATOM 1137 CD LYS B 73 -8.958 -12.184 -8.835 1.00 0.00 C ATOM 1138 CE LYS B 73 -10.090 -11.185 -9.013 1.00 0.00 C ATOM 1139 NZ LYS B 73 -10.681 -11.243 -10.377 1.00 0.00 N ATOM 0 H LYS B 73 -5.542 -11.119 -6.369 1.00 0.00 H new ATOM 0 HA LYS B 73 -7.190 -13.254 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS B 73 -6.448 -12.798 -8.058 1.00 0.00 H new ATOM 0 HB3 LYS B 73 -7.488 -14.066 -7.441 1.00 0.00 H new ATOM 0 HG2 LYS B 73 -9.144 -12.402 -6.709 1.00 0.00 H new ATOM 0 HG3 LYS B 73 -8.088 -11.094 -7.204 1.00 0.00 H new ATOM 0 HD2 LYS B 73 -8.173 -11.981 -9.564 1.00 0.00 H new ATOM 0 HD3 LYS B 73 -9.325 -13.191 -9.034 1.00 0.00 H new ATOM 0 HE2 LYS B 73 -10.866 -11.383 -8.274 1.00 0.00 H new ATOM 0 HE3 LYS B 73 -9.717 -10.178 -8.823 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 -11.448 -10.545 -10.453 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 -9.948 -11.029 -11.083 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 -11.061 -12.195 -10.551 1.00 0.00 H new ATOM 1153 N GLY B 74 -5.426 -15.012 -5.294 1.00 0.00 N ATOM 1154 CA GLY B 74 -4.339 -15.970 -5.256 1.00 0.00 C ATOM 1155 C GLY B 74 -3.633 -16.003 -3.917 1.00 0.00 C ATOM 1156 O GLY B 74 -2.490 -16.448 -3.825 1.00 0.00 O ATOM 0 H GLY B 74 -6.290 -15.326 -4.852 1.00 0.00 H new ATOM 0 HA2 GLY B 74 -4.728 -16.963 -5.481 1.00 0.00 H new ATOM 0 HA3 GLY B 74 -3.618 -15.726 -6.036 1.00 0.00 H new ATOM 1160 N LEU B 75 -4.308 -15.536 -2.877 1.00 0.00 N ATOM 1161 CA LEU B 75 -3.734 -15.542 -1.538 1.00 0.00 C ATOM 1162 C LEU B 75 -4.161 -16.798 -0.790 1.00 0.00 C ATOM 1163 O LEU B 75 -5.335 -17.165 -0.796 1.00 0.00 O ATOM 1164 CB LEU B 75 -4.151 -14.291 -0.755 1.00 0.00 C ATOM 1165 CG LEU B 75 -3.690 -12.953 -1.347 1.00 0.00 C ATOM 1166 CD1 LEU B 75 -3.989 -11.821 -0.381 1.00 0.00 C ATOM 1167 CD2 LEU B 75 -2.206 -12.988 -1.680 1.00 0.00 C ATOM 0 H LEU B 75 -5.250 -15.149 -2.933 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.648 -15.536 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -5.238 -14.278 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -3.761 -14.373 0.259 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.240 -12.781 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -3.657 -10.877 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.062 -11.777 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -3.463 -11.995 0.558 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -1.904 -12.028 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -1.634 -13.185 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -2.015 -13.777 -2.408 1.00 0.00 H new ATOM 1179 N LYS B 76 -3.204 -17.456 -0.158 1.00 0.00 N ATOM 1180 CA LYS B 76 -3.461 -18.712 0.531 1.00 0.00 C ATOM 1181 C LYS B 76 -3.610 -18.500 2.036 1.00 0.00 C ATOM 1182 O LYS B 76 -2.709 -17.976 2.692 1.00 0.00 O ATOM 1183 CB LYS B 76 -2.318 -19.694 0.267 1.00 0.00 C ATOM 1184 CG LYS B 76 -2.154 -20.065 -1.199 1.00 0.00 C ATOM 1185 CD LYS B 76 -0.932 -20.945 -1.423 1.00 0.00 C ATOM 1186 CE LYS B 76 -1.048 -22.281 -0.699 1.00 0.00 C ATOM 1187 NZ LYS B 76 -2.172 -23.108 -1.220 1.00 0.00 N ATOM 0 H LYS B 76 -2.236 -17.140 -0.107 1.00 0.00 H new ATOM 0 HA LYS B 76 -4.396 -19.119 0.147 1.00 0.00 H new ATOM 0 HB2 LYS B 76 -1.386 -19.258 0.628 1.00 0.00 H new ATOM 0 HB3 LYS B 76 -2.491 -20.602 0.845 1.00 0.00 H new ATOM 0 HG2 LYS B 76 -3.047 -20.587 -1.545 1.00 0.00 H new ATOM 0 HG3 LYS B 76 -2.064 -19.158 -1.796 1.00 0.00 H new ATOM 0 HD2 LYS B 76 -0.804 -21.122 -2.491 1.00 0.00 H new ATOM 0 HD3 LYS B 76 -0.041 -20.422 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS B 76 -0.114 -22.832 -0.806 1.00 0.00 H new ATOM 0 HE3 LYS B 76 -1.193 -22.103 0.367 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 -2.111 -24.067 -0.822 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 -3.077 -22.676 -0.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 -2.114 -23.159 -2.257 1.00 0.00 H new ATOM 1201 N PRO B 77 -4.759 -18.904 2.601 1.00 0.00 N ATOM 1202 CA PRO B 77 -4.981 -18.875 4.049 1.00 0.00 C ATOM 1203 C PRO B 77 -3.951 -19.717 4.798 1.00 0.00 C ATOM 1204 O PRO B 77 -3.686 -20.863 4.435 1.00 0.00 O ATOM 1205 CB PRO B 77 -6.383 -19.471 4.213 1.00 0.00 C ATOM 1206 CG PRO B 77 -7.036 -19.263 2.894 1.00 0.00 C ATOM 1207 CD PRO B 77 -5.942 -19.395 1.875 1.00 0.00 C ATOM 0 HA PRO B 77 -4.888 -17.869 4.458 1.00 0.00 H new ATOM 0 HB2 PRO B 77 -6.336 -20.529 4.470 1.00 0.00 H new ATOM 0 HB3 PRO B 77 -6.934 -18.974 5.011 1.00 0.00 H new ATOM 0 HG2 PRO B 77 -7.820 -20.001 2.725 1.00 0.00 H new ATOM 0 HG3 PRO B 77 -7.505 -18.281 2.840 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -5.816 -20.427 1.548 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -6.145 -18.801 0.984 1.00 0.00 H new ATOM 1215 N GLY B 78 -3.375 -19.140 5.839 1.00 0.00 N ATOM 1216 CA GLY B 78 -2.314 -19.803 6.572 1.00 0.00 C ATOM 1217 C GLY B 78 -0.967 -19.211 6.236 1.00 0.00 C ATOM 1218 O GLY B 78 -0.076 -19.136 7.080 1.00 0.00 O ATOM 0 H GLY B 78 -3.624 -18.217 6.194 1.00 0.00 H new ATOM 0 HA2 GLY B 78 -2.497 -19.713 7.643 1.00 0.00 H new ATOM 0 HA3 GLY B 78 -2.316 -20.867 6.337 1.00 0.00 H new ATOM 1222 N VAL B 79 -0.836 -18.765 4.998 1.00 0.00 N ATOM 1223 CA VAL B 79 0.389 -18.152 4.523 1.00 0.00 C ATOM 1224 C VAL B 79 0.430 -16.682 4.936 1.00 0.00 C ATOM 1225 O VAL B 79 -0.583 -15.983 4.881 1.00 0.00 O ATOM 1226 CB VAL B 79 0.496 -18.281 2.985 1.00 0.00 C ATOM 1227 CG1 VAL B 79 1.749 -17.613 2.451 1.00 0.00 C ATOM 1228 CG2 VAL B 79 0.480 -19.740 2.571 1.00 0.00 C ATOM 0 H VAL B 79 -1.575 -18.818 4.297 1.00 0.00 H new ATOM 0 HA VAL B 79 1.237 -18.669 4.972 1.00 0.00 H new ATOM 0 HB VAL B 79 -0.369 -17.773 2.557 1.00 0.00 H new ATOM 0 HG11 VAL B 79 1.788 -17.725 1.368 1.00 0.00 H new ATOM 0 HG12 VAL B 79 1.733 -16.553 2.706 1.00 0.00 H new ATOM 0 HG13 VAL B 79 2.628 -18.080 2.896 1.00 0.00 H new ATOM 0 HG21 VAL B 79 0.556 -19.811 1.486 1.00 0.00 H new ATOM 0 HG22 VAL B 79 1.323 -20.257 3.029 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -0.451 -20.202 2.900 1.00 0.00 H new ATOM 1238 N VAL B 80 1.586 -16.231 5.398 1.00 0.00 N ATOM 1239 CA VAL B 80 1.766 -14.837 5.775 1.00 0.00 C ATOM 1240 C VAL B 80 2.191 -14.025 4.556 1.00 0.00 C ATOM 1241 O VAL B 80 2.955 -14.514 3.722 1.00 0.00 O ATOM 1242 CB VAL B 80 2.825 -14.684 6.890 1.00 0.00 C ATOM 1243 CG1 VAL B 80 2.826 -13.268 7.449 1.00 0.00 C ATOM 1244 CG2 VAL B 80 2.591 -15.696 7.998 1.00 0.00 C ATOM 0 H VAL B 80 2.416 -16.811 5.521 1.00 0.00 H new ATOM 0 HA VAL B 80 0.814 -14.467 6.157 1.00 0.00 H new ATOM 0 HB VAL B 80 3.804 -14.876 6.452 1.00 0.00 H new ATOM 0 HG11 VAL B 80 3.580 -13.186 8.232 1.00 0.00 H new ATOM 0 HG12 VAL B 80 3.054 -12.562 6.651 1.00 0.00 H new ATOM 0 HG13 VAL B 80 1.845 -13.040 7.865 1.00 0.00 H new ATOM 0 HG21 VAL B 80 3.348 -15.570 8.772 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.602 -15.541 8.429 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.655 -16.704 7.589 1.00 0.00 H new ATOM 1254 N TYR B 81 1.692 -12.800 4.445 1.00 0.00 N ATOM 1255 CA TYR B 81 2.001 -11.954 3.300 1.00 0.00 C ATOM 1256 C TYR B 81 2.466 -10.570 3.735 1.00 0.00 C ATOM 1257 O TYR B 81 1.973 -10.012 4.717 1.00 0.00 O ATOM 1258 CB TYR B 81 0.780 -11.813 2.389 1.00 0.00 C ATOM 1259 CG TYR B 81 0.396 -13.089 1.675 1.00 0.00 C ATOM 1260 CD1 TYR B 81 1.001 -13.438 0.477 1.00 0.00 C ATOM 1261 CD2 TYR B 81 -0.569 -13.940 2.197 1.00 0.00 C ATOM 1262 CE1 TYR B 81 0.654 -14.599 -0.183 1.00 0.00 C ATOM 1263 CE2 TYR B 81 -0.921 -15.104 1.543 1.00 0.00 C ATOM 1264 CZ TYR B 81 -0.306 -15.427 0.352 1.00 0.00 C ATOM 1265 OH TYR B 81 -0.651 -16.584 -0.305 1.00 0.00 O ATOM 0 H TYR B 81 1.073 -12.371 5.133 1.00 0.00 H new ATOM 0 HA TYR B 81 2.811 -12.436 2.753 1.00 0.00 H new ATOM 0 HB2 TYR B 81 -0.067 -11.472 2.984 1.00 0.00 H new ATOM 0 HB3 TYR B 81 0.980 -11.040 1.647 1.00 0.00 H new ATOM 0 HD1 TYR B 81 1.755 -12.791 0.054 1.00 0.00 H new ATOM 0 HD2 TYR B 81 -1.052 -13.687 3.129 1.00 0.00 H new ATOM 0 HE1 TYR B 81 1.134 -14.857 -1.116 1.00 0.00 H new ATOM 0 HE2 TYR B 81 -1.673 -15.757 1.961 1.00 0.00 H new ATOM 0 HH TYR B 81 0.122 -16.918 -0.807 1.00 0.00 H new ATOM 1275 N GLU B 82 3.419 -10.031 2.988 1.00 0.00 N ATOM 1276 CA GLU B 82 3.885 -8.666 3.180 1.00 0.00 C ATOM 1277 C GLU B 82 3.312 -7.778 2.089 1.00 0.00 C ATOM 1278 O GLU B 82 3.700 -7.891 0.926 1.00 0.00 O ATOM 1279 CB GLU B 82 5.413 -8.610 3.130 1.00 0.00 C ATOM 1280 CG GLU B 82 6.089 -9.102 4.393 1.00 0.00 C ATOM 1281 CD GLU B 82 5.971 -8.118 5.537 1.00 0.00 C ATOM 1282 OE1 GLU B 82 6.243 -6.917 5.325 1.00 0.00 O ATOM 1283 OE2 GLU B 82 5.629 -8.544 6.656 1.00 0.00 O ATOM 0 H GLU B 82 3.890 -10.528 2.232 1.00 0.00 H new ATOM 0 HA GLU B 82 3.552 -8.315 4.157 1.00 0.00 H new ATOM 0 HB2 GLU B 82 5.761 -9.208 2.287 1.00 0.00 H new ATOM 0 HB3 GLU B 82 5.723 -7.582 2.941 1.00 0.00 H new ATOM 0 HG2 GLU B 82 5.648 -10.053 4.690 1.00 0.00 H new ATOM 0 HG3 GLU B 82 7.143 -9.290 4.187 1.00 0.00 H new ATOM 1290 N GLY B 83 2.385 -6.913 2.459 1.00 0.00 N ATOM 1291 CA GLY B 83 1.773 -6.037 1.488 1.00 0.00 C ATOM 1292 C GLY B 83 2.081 -4.583 1.761 1.00 0.00 C ATOM 1293 O GLY B 83 2.129 -4.157 2.915 1.00 0.00 O ATOM 0 H GLY B 83 2.045 -6.802 3.414 1.00 0.00 H new ATOM 0 HA2 GLY B 83 2.124 -6.300 0.490 1.00 0.00 H new ATOM 0 HA3 GLY B 83 0.693 -6.186 1.495 1.00 0.00 H new ATOM 1297 N GLN B 84 2.311 -3.822 0.704 1.00 0.00 N ATOM 1298 CA GLN B 84 2.549 -2.395 0.830 1.00 0.00 C ATOM 1299 C GLN B 84 1.692 -1.626 -0.162 1.00 0.00 C ATOM 1300 O GLN B 84 1.585 -2.004 -1.332 1.00 0.00 O ATOM 1301 CB GLN B 84 4.025 -2.041 0.606 1.00 0.00 C ATOM 1302 CG GLN B 84 4.996 -2.807 1.491 1.00 0.00 C ATOM 1303 CD GLN B 84 5.385 -4.146 0.902 1.00 0.00 C ATOM 1304 OE1 GLN B 84 5.451 -4.301 -0.315 1.00 0.00 O ATOM 1305 NE2 GLN B 84 5.633 -5.122 1.758 1.00 0.00 N ATOM 0 H GLN B 84 2.338 -4.171 -0.254 1.00 0.00 H new ATOM 0 HA GLN B 84 2.280 -2.112 1.848 1.00 0.00 H new ATOM 0 HB2 GLN B 84 4.277 -2.230 -0.438 1.00 0.00 H new ATOM 0 HB3 GLN B 84 4.160 -0.973 0.778 1.00 0.00 H new ATOM 0 HG2 GLN B 84 5.893 -2.207 1.645 1.00 0.00 H new ATOM 0 HG3 GLN B 84 4.544 -2.962 2.471 1.00 0.00 H new ATOM 0 HE21 GLN B 84 5.567 -4.950 2.761 1.00 0.00 H new ATOM 0 HE22 GLN B 84 5.891 -6.048 1.415 1.00 0.00 H new ATOM 1314 N LEU B 85 1.074 -0.562 0.316 1.00 0.00 N ATOM 1315 CA LEU B 85 0.309 0.331 -0.533 1.00 0.00 C ATOM 1316 C LEU B 85 1.159 1.557 -0.842 1.00 0.00 C ATOM 1317 O LEU B 85 1.368 2.412 0.019 1.00 0.00 O ATOM 1318 CB LEU B 85 -1.006 0.723 0.167 1.00 0.00 C ATOM 1319 CG LEU B 85 -2.039 1.502 -0.673 1.00 0.00 C ATOM 1320 CD1 LEU B 85 -1.662 2.970 -0.801 1.00 0.00 C ATOM 1321 CD2 LEU B 85 -2.193 0.872 -2.050 1.00 0.00 C ATOM 0 H LEU B 85 1.088 -0.293 1.300 1.00 0.00 H new ATOM 0 HA LEU B 85 0.050 -0.165 -1.469 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -1.482 -0.188 0.530 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -0.758 1.324 1.042 1.00 0.00 H new ATOM 0 HG LEU B 85 -2.995 1.448 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -2.412 3.487 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -1.614 3.421 0.190 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -0.690 3.055 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -2.926 1.435 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -1.233 0.888 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -2.530 -0.159 -1.943 1.00 0.00 H new ATOM 1333 N ILE B 86 1.678 1.620 -2.057 1.00 0.00 N ATOM 1334 CA ILE B 86 2.510 2.738 -2.467 1.00 0.00 C ATOM 1335 C ILE B 86 1.666 3.763 -3.207 1.00 0.00 C ATOM 1336 O ILE B 86 1.230 3.529 -4.334 1.00 0.00 O ATOM 1337 CB ILE B 86 3.695 2.309 -3.370 1.00 0.00 C ATOM 1338 CG1 ILE B 86 4.517 1.185 -2.730 1.00 0.00 C ATOM 1339 CG2 ILE B 86 4.596 3.503 -3.655 1.00 0.00 C ATOM 1340 CD1 ILE B 86 3.956 -0.201 -2.957 1.00 0.00 C ATOM 0 H ILE B 86 1.538 0.910 -2.776 1.00 0.00 H new ATOM 0 HA ILE B 86 2.930 3.168 -1.558 1.00 0.00 H new ATOM 0 HB ILE B 86 3.277 1.933 -4.304 1.00 0.00 H new ATOM 0 HG12 ILE B 86 5.532 1.223 -3.125 1.00 0.00 H new ATOM 0 HG13 ILE B 86 4.585 1.366 -1.657 1.00 0.00 H new ATOM 0 HG21 ILE B 86 5.425 3.190 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.023 4.279 -4.163 1.00 0.00 H new ATOM 0 HG23 ILE B 86 4.986 3.896 -2.716 1.00 0.00 H new ATOM 0 HD11 ILE B 86 4.597 -0.937 -2.472 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.952 -0.261 -2.536 1.00 0.00 H new ATOM 0 HD13 ILE B 86 3.914 -0.406 -4.027 1.00 0.00 H new ATOM 1352 N SER B 87 1.422 4.889 -2.564 1.00 0.00 N ATOM 1353 CA SER B 87 0.630 5.945 -3.162 1.00 0.00 C ATOM 1354 C SER B 87 1.529 6.935 -3.898 1.00 0.00 C ATOM 1355 O SER B 87 2.374 7.599 -3.293 1.00 0.00 O ATOM 1356 CB SER B 87 -0.204 6.653 -2.091 1.00 0.00 C ATOM 1357 OG SER B 87 0.587 7.026 -0.975 1.00 0.00 O ATOM 0 H SER B 87 1.762 5.096 -1.625 1.00 0.00 H new ATOM 0 HA SER B 87 -0.052 5.504 -3.889 1.00 0.00 H new ATOM 0 HB2 SER B 87 -0.670 7.540 -2.520 1.00 0.00 H new ATOM 0 HB3 SER B 87 -1.010 5.996 -1.763 1.00 0.00 H new ATOM 0 HG SER B 87 0.345 6.473 -0.203 1.00 0.00 H new ATOM 1363 N ILE B 88 1.366 7.002 -5.212 1.00 0.00 N ATOM 1364 CA ILE B 88 2.134 7.925 -6.032 1.00 0.00 C ATOM 1365 C ILE B 88 1.399 9.249 -6.153 1.00 0.00 C ATOM 1366 O ILE B 88 0.393 9.350 -6.860 1.00 0.00 O ATOM 1367 CB ILE B 88 2.388 7.357 -7.445 1.00 0.00 C ATOM 1368 CG1 ILE B 88 3.069 5.987 -7.363 1.00 0.00 C ATOM 1369 CG2 ILE B 88 3.229 8.323 -8.270 1.00 0.00 C ATOM 1370 CD1 ILE B 88 4.427 6.010 -6.696 1.00 0.00 C ATOM 0 H ILE B 88 0.706 6.425 -5.733 1.00 0.00 H new ATOM 0 HA ILE B 88 3.097 8.074 -5.543 1.00 0.00 H new ATOM 0 HB ILE B 88 1.425 7.232 -7.940 1.00 0.00 H new ATOM 0 HG12 ILE B 88 2.420 5.303 -6.817 1.00 0.00 H new ATOM 0 HG13 ILE B 88 3.178 5.587 -8.371 1.00 0.00 H new ATOM 0 HG21 ILE B 88 3.396 7.904 -9.262 1.00 0.00 H new ATOM 0 HG22 ILE B 88 2.705 9.274 -8.362 1.00 0.00 H new ATOM 0 HG23 ILE B 88 4.188 8.483 -7.777 1.00 0.00 H new ATOM 0 HD11 ILE B 88 4.841 5.002 -6.678 1.00 0.00 H new ATOM 0 HD12 ILE B 88 5.095 6.667 -7.253 1.00 0.00 H new ATOM 0 HD13 ILE B 88 4.325 6.378 -5.675 1.00 0.00 H new ATOM 1382 N GLN B 89 1.889 10.254 -5.450 1.00 0.00 N ATOM 1383 CA GLN B 89 1.273 11.567 -5.480 1.00 0.00 C ATOM 1384 C GLN B 89 1.688 12.339 -6.721 1.00 0.00 C ATOM 1385 O GLN B 89 2.697 12.039 -7.353 1.00 0.00 O ATOM 1386 CB GLN B 89 1.634 12.356 -4.225 1.00 0.00 C ATOM 1387 CG GLN B 89 0.949 11.839 -2.973 1.00 0.00 C ATOM 1388 CD GLN B 89 1.320 12.639 -1.747 1.00 0.00 C ATOM 1389 OE1 GLN B 89 0.673 13.634 -1.420 1.00 0.00 O ATOM 1390 NE2 GLN B 89 2.358 12.205 -1.055 1.00 0.00 N ATOM 0 H GLN B 89 2.712 10.186 -4.851 1.00 0.00 H new ATOM 0 HA GLN B 89 0.192 11.428 -5.511 1.00 0.00 H new ATOM 0 HB2 GLN B 89 2.714 12.321 -4.081 1.00 0.00 H new ATOM 0 HB3 GLN B 89 1.365 13.402 -4.372 1.00 0.00 H new ATOM 0 HG2 GLN B 89 -0.132 11.872 -3.113 1.00 0.00 H new ATOM 0 HG3 GLN B 89 1.219 10.794 -2.818 1.00 0.00 H new ATOM 0 HE21 GLN B 89 2.865 11.375 -1.363 1.00 0.00 H new ATOM 0 HE22 GLN B 89 2.652 12.699 -0.213 1.00 0.00 H new ATOM 1399 N GLN B 90 0.883 13.345 -7.038 1.00 0.00 N ATOM 1400 CA GLN B 90 1.043 14.164 -8.238 1.00 0.00 C ATOM 1401 C GLN B 90 2.379 14.911 -8.245 1.00 0.00 C ATOM 1402 O GLN B 90 2.810 15.429 -9.276 1.00 0.00 O ATOM 1403 CB GLN B 90 -0.114 15.162 -8.300 1.00 0.00 C ATOM 1404 CG GLN B 90 -0.234 15.902 -9.617 1.00 0.00 C ATOM 1405 CD GLN B 90 -1.319 16.957 -9.580 1.00 0.00 C ATOM 1406 OE1 GLN B 90 -2.482 16.682 -9.877 1.00 0.00 O ATOM 1407 NE2 GLN B 90 -0.946 18.171 -9.211 1.00 0.00 N ATOM 0 H GLN B 90 0.088 13.621 -6.462 1.00 0.00 H new ATOM 0 HA GLN B 90 1.035 13.511 -9.111 1.00 0.00 H new ATOM 0 HB2 GLN B 90 -1.046 14.631 -8.110 1.00 0.00 H new ATOM 0 HB3 GLN B 90 0.007 15.890 -7.498 1.00 0.00 H new ATOM 0 HG2 GLN B 90 0.720 16.372 -9.857 1.00 0.00 H new ATOM 0 HG3 GLN B 90 -0.448 15.190 -10.414 1.00 0.00 H new ATOM 0 HE21 GLN B 90 0.029 18.355 -8.973 1.00 0.00 H new ATOM 0 HE22 GLN B 90 -1.633 18.923 -9.164 1.00 0.00 H new ATOM 1416 N TYR B 91 3.025 14.968 -7.091 1.00 0.00 N ATOM 1417 CA TYR B 91 4.299 15.659 -6.957 1.00 0.00 C ATOM 1418 C TYR B 91 5.452 14.681 -7.146 1.00 0.00 C ATOM 1419 O TYR B 91 6.621 15.061 -7.096 1.00 0.00 O ATOM 1420 CB TYR B 91 4.400 16.309 -5.575 1.00 0.00 C ATOM 1421 CG TYR B 91 3.134 17.016 -5.149 1.00 0.00 C ATOM 1422 CD1 TYR B 91 2.774 18.239 -5.699 1.00 0.00 C ATOM 1423 CD2 TYR B 91 2.295 16.450 -4.199 1.00 0.00 C ATOM 1424 CE1 TYR B 91 1.610 18.877 -5.314 1.00 0.00 C ATOM 1425 CE2 TYR B 91 1.133 17.081 -3.809 1.00 0.00 C ATOM 1426 CZ TYR B 91 0.795 18.293 -4.368 1.00 0.00 C ATOM 1427 OH TYR B 91 -0.367 18.919 -3.980 1.00 0.00 O ATOM 0 H TYR B 91 2.686 14.542 -6.229 1.00 0.00 H new ATOM 0 HA TYR B 91 4.358 16.431 -7.724 1.00 0.00 H new ATOM 0 HB2 TYR B 91 4.645 15.543 -4.839 1.00 0.00 H new ATOM 0 HB3 TYR B 91 5.223 17.024 -5.577 1.00 0.00 H new ATOM 0 HD1 TYR B 91 3.413 18.699 -6.439 1.00 0.00 H new ATOM 0 HD2 TYR B 91 2.557 15.500 -3.758 1.00 0.00 H new ATOM 0 HE1 TYR B 91 1.341 19.827 -5.751 1.00 0.00 H new ATOM 0 HE2 TYR B 91 0.491 16.627 -3.069 1.00 0.00 H new ATOM 0 HH TYR B 91 -1.119 18.563 -4.498 1.00 0.00 H new ATOM 1437 N GLY B 92 5.111 13.416 -7.348 1.00 0.00 N ATOM 1438 CA GLY B 92 6.119 12.385 -7.470 1.00 0.00 C ATOM 1439 C GLY B 92 6.428 11.739 -6.137 1.00 0.00 C ATOM 1440 O GLY B 92 7.061 10.685 -6.077 1.00 0.00 O ATOM 0 H GLY B 92 4.150 13.085 -7.430 1.00 0.00 H new ATOM 0 HA2 GLY B 92 5.777 11.624 -8.172 1.00 0.00 H new ATOM 0 HA3 GLY B 92 7.030 12.815 -7.885 1.00 0.00 H new ATOM 1444 N HIS B 93 5.976 12.382 -5.068 1.00 0.00 N ATOM 1445 CA HIS B 93 6.189 11.886 -3.715 1.00 0.00 C ATOM 1446 C HIS B 93 5.506 10.534 -3.535 1.00 0.00 C ATOM 1447 O HIS B 93 4.290 10.417 -3.689 1.00 0.00 O ATOM 1448 CB HIS B 93 5.649 12.902 -2.699 1.00 0.00 C ATOM 1449 CG HIS B 93 5.923 12.572 -1.256 1.00 0.00 C ATOM 1450 ND1 HIS B 93 5.592 13.419 -0.226 1.00 0.00 N ATOM 1451 CD2 HIS B 93 6.471 11.480 -0.671 1.00 0.00 C ATOM 1452 CE1 HIS B 93 5.918 12.864 0.924 1.00 0.00 C ATOM 1453 NE2 HIS B 93 6.451 11.681 0.686 1.00 0.00 N ATOM 0 H HIS B 93 5.454 13.257 -5.114 1.00 0.00 H new ATOM 0 HA HIS B 93 7.258 11.755 -3.547 1.00 0.00 H new ATOM 0 HB2 HIS B 93 6.081 13.878 -2.920 1.00 0.00 H new ATOM 0 HB3 HIS B 93 4.571 12.992 -2.836 1.00 0.00 H new ATOM 0 HD2 HIS B 93 6.854 10.609 -1.181 1.00 0.00 H new ATOM 0 HE1 HIS B 93 5.773 13.305 1.899 1.00 0.00 H new ATOM 0 HE2 HIS B 93 6.791 11.027 1.391 1.00 0.00 H new ATOM 1462 N GLN B 94 6.297 9.525 -3.207 1.00 0.00 N ATOM 1463 CA GLN B 94 5.782 8.182 -3.004 1.00 0.00 C ATOM 1464 C GLN B 94 5.598 7.914 -1.518 1.00 0.00 C ATOM 1465 O GLN B 94 6.547 8.015 -0.741 1.00 0.00 O ATOM 1466 CB GLN B 94 6.746 7.149 -3.594 1.00 0.00 C ATOM 1467 CG GLN B 94 7.187 7.469 -5.012 1.00 0.00 C ATOM 1468 CD GLN B 94 8.084 6.399 -5.603 1.00 0.00 C ATOM 1469 OE1 GLN B 94 8.809 5.707 -4.888 1.00 0.00 O ATOM 1470 NE2 GLN B 94 8.052 6.269 -6.918 1.00 0.00 N ATOM 0 H GLN B 94 7.305 9.613 -3.075 1.00 0.00 H new ATOM 0 HA GLN B 94 4.819 8.100 -3.508 1.00 0.00 H new ATOM 0 HB2 GLN B 94 7.627 7.080 -2.955 1.00 0.00 H new ATOM 0 HB3 GLN B 94 6.267 6.170 -3.584 1.00 0.00 H new ATOM 0 HG2 GLN B 94 6.307 7.588 -5.643 1.00 0.00 H new ATOM 0 HG3 GLN B 94 7.715 8.423 -5.017 1.00 0.00 H new ATOM 0 HE21 GLN B 94 7.437 6.863 -7.474 1.00 0.00 H new ATOM 0 HE22 GLN B 94 8.643 5.575 -7.376 1.00 0.00 H new ATOM 1479 N GLU B 95 4.380 7.590 -1.125 1.00 0.00 N ATOM 1480 CA GLU B 95 4.089 7.256 0.260 1.00 0.00 C ATOM 1481 C GLU B 95 3.730 5.781 0.371 1.00 0.00 C ATOM 1482 O GLU B 95 2.733 5.332 -0.196 1.00 0.00 O ATOM 1483 CB GLU B 95 2.953 8.129 0.787 1.00 0.00 C ATOM 1484 CG GLU B 95 3.324 9.597 0.935 1.00 0.00 C ATOM 1485 CD GLU B 95 4.264 9.860 2.097 1.00 0.00 C ATOM 1486 OE1 GLU B 95 5.479 9.599 1.962 1.00 0.00 O ATOM 1487 OE2 GLU B 95 3.795 10.352 3.142 1.00 0.00 O ATOM 0 H GLU B 95 3.572 7.551 -1.747 1.00 0.00 H new ATOM 0 HA GLU B 95 4.974 7.446 0.867 1.00 0.00 H new ATOM 0 HB2 GLU B 95 2.101 8.046 0.113 1.00 0.00 H new ATOM 0 HB3 GLU B 95 2.632 7.746 1.756 1.00 0.00 H new ATOM 0 HG2 GLU B 95 3.791 9.942 0.013 1.00 0.00 H new ATOM 0 HG3 GLU B 95 2.415 10.183 1.071 1.00 0.00 H new ATOM 1494 N VAL B 96 4.555 5.028 1.084 1.00 0.00 N ATOM 1495 CA VAL B 96 4.385 3.586 1.183 1.00 0.00 C ATOM 1496 C VAL B 96 3.812 3.187 2.536 1.00 0.00 C ATOM 1497 O VAL B 96 4.477 3.309 3.566 1.00 0.00 O ATOM 1498 CB VAL B 96 5.726 2.849 0.970 1.00 0.00 C ATOM 1499 CG1 VAL B 96 5.547 1.336 1.067 1.00 0.00 C ATOM 1500 CG2 VAL B 96 6.338 3.238 -0.368 1.00 0.00 C ATOM 0 H VAL B 96 5.352 5.394 1.605 1.00 0.00 H new ATOM 0 HA VAL B 96 3.686 3.297 0.398 1.00 0.00 H new ATOM 0 HB VAL B 96 6.409 3.152 1.764 1.00 0.00 H new ATOM 0 HG11 VAL B 96 6.508 0.845 0.913 1.00 0.00 H new ATOM 0 HG12 VAL B 96 5.162 1.078 2.053 1.00 0.00 H new ATOM 0 HG13 VAL B 96 4.843 1.003 0.304 1.00 0.00 H new ATOM 0 HG21 VAL B 96 7.282 2.711 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL B 96 5.654 2.970 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL B 96 6.517 4.313 -0.387 1.00 0.00 H new ATOM 1510 N THR B 97 2.578 2.716 2.530 1.00 0.00 N ATOM 1511 CA THR B 97 1.957 2.215 3.740 1.00 0.00 C ATOM 1512 C THR B 97 1.973 0.691 3.755 1.00 0.00 C ATOM 1513 O THR B 97 1.309 0.044 2.945 1.00 0.00 O ATOM 1514 CB THR B 97 0.510 2.708 3.877 1.00 0.00 C ATOM 1515 OG1 THR B 97 0.463 4.136 3.760 1.00 0.00 O ATOM 1516 CG2 THR B 97 -0.066 2.285 5.218 1.00 0.00 C ATOM 0 H THR B 97 1.987 2.670 1.700 1.00 0.00 H new ATOM 0 HA THR B 97 2.534 2.596 4.582 1.00 0.00 H new ATOM 0 HB THR B 97 -0.085 2.264 3.079 1.00 0.00 H new ATOM 0 HG1 THR B 97 -0.229 4.490 4.356 1.00 0.00 H new ATOM 0 HG21 THR B 97 -1.093 2.641 5.302 1.00 0.00 H new ATOM 0 HG22 THR B 97 -0.052 1.198 5.293 1.00 0.00 H new ATOM 0 HG23 THR B 97 0.533 2.712 6.022 1.00 0.00 H new ATOM 1524 N ARG B 98 2.741 0.128 4.669 1.00 0.00 N ATOM 1525 CA ARG B 98 2.852 -1.314 4.790 1.00 0.00 C ATOM 1526 C ARG B 98 1.690 -1.874 5.599 1.00 0.00 C ATOM 1527 O ARG B 98 1.228 -1.251 6.557 1.00 0.00 O ATOM 1528 CB ARG B 98 4.171 -1.687 5.470 1.00 0.00 C ATOM 1529 CG ARG B 98 5.409 -1.205 4.732 1.00 0.00 C ATOM 1530 CD ARG B 98 6.676 -1.634 5.452 1.00 0.00 C ATOM 1531 NE ARG B 98 6.720 -3.078 5.698 1.00 0.00 N ATOM 1532 CZ ARG B 98 7.486 -3.648 6.629 1.00 0.00 C ATOM 1533 NH1 ARG B 98 8.253 -2.897 7.410 1.00 0.00 N ATOM 1534 NH2 ARG B 98 7.480 -4.968 6.793 1.00 0.00 N ATOM 0 H ARG B 98 3.301 0.651 5.343 1.00 0.00 H new ATOM 0 HA ARG B 98 2.827 -1.743 3.788 1.00 0.00 H new ATOM 0 HB2 ARG B 98 4.178 -1.272 6.478 1.00 0.00 H new ATOM 0 HB3 ARG B 98 4.221 -2.771 5.571 1.00 0.00 H new ATOM 0 HG2 ARG B 98 5.410 -1.604 3.718 1.00 0.00 H new ATOM 0 HG3 ARG B 98 5.385 -0.119 4.647 1.00 0.00 H new ATOM 0 HD2 ARG B 98 7.543 -1.343 4.859 1.00 0.00 H new ATOM 0 HD3 ARG B 98 6.747 -1.104 6.402 1.00 0.00 H new ATOM 0 HE ARG B 98 6.131 -3.682 5.124 1.00 0.00 H new ATOM 0 HH11 ARG B 98 8.257 -1.883 7.298 1.00 0.00 H new ATOM 0 HH12 ARG B 98 8.839 -3.334 8.122 1.00 0.00 H new ATOM 0 HH21 ARG B 98 6.886 -5.552 6.204 1.00 0.00 H new ATOM 0 HH22 ARG B 98 8.069 -5.396 7.507 1.00 0.00 H new ATOM 1548 N PHE B 99 1.210 -3.040 5.207 1.00 0.00 N ATOM 1549 CA PHE B 99 0.178 -3.726 5.960 1.00 0.00 C ATOM 1550 C PHE B 99 0.502 -5.209 6.059 1.00 0.00 C ATOM 1551 O PHE B 99 1.103 -5.792 5.153 1.00 0.00 O ATOM 1552 CB PHE B 99 -1.212 -3.506 5.341 1.00 0.00 C ATOM 1553 CG PHE B 99 -1.397 -4.076 3.959 1.00 0.00 C ATOM 1554 CD1 PHE B 99 -1.084 -3.327 2.835 1.00 0.00 C ATOM 1555 CD2 PHE B 99 -1.904 -5.355 3.786 1.00 0.00 C ATOM 1556 CE1 PHE B 99 -1.272 -3.845 1.566 1.00 0.00 C ATOM 1557 CE2 PHE B 99 -2.090 -5.878 2.520 1.00 0.00 C ATOM 1558 CZ PHE B 99 -1.775 -5.122 1.410 1.00 0.00 C ATOM 0 H PHE B 99 1.520 -3.532 4.369 1.00 0.00 H new ATOM 0 HA PHE B 99 0.154 -3.305 6.965 1.00 0.00 H new ATOM 0 HB2 PHE B 99 -1.960 -3.946 6.001 1.00 0.00 H new ATOM 0 HB3 PHE B 99 -1.410 -2.435 5.304 1.00 0.00 H new ATOM 0 HD1 PHE B 99 -0.689 -2.329 2.951 1.00 0.00 H new ATOM 0 HD2 PHE B 99 -2.157 -5.950 4.651 1.00 0.00 H new ATOM 0 HE1 PHE B 99 -1.026 -3.251 0.698 1.00 0.00 H new ATOM 0 HE2 PHE B 99 -2.481 -6.877 2.400 1.00 0.00 H new ATOM 0 HZ PHE B 99 -1.921 -5.528 0.420 1.00 0.00 H new ATOM 1568 N ASP B 100 0.124 -5.802 7.174 1.00 0.00 N ATOM 1569 CA ASP B 100 0.365 -7.213 7.422 1.00 0.00 C ATOM 1570 C ASP B 100 -0.909 -8.007 7.190 1.00 0.00 C ATOM 1571 O ASP B 100 -1.989 -7.606 7.634 1.00 0.00 O ATOM 1572 CB ASP B 100 0.855 -7.415 8.859 1.00 0.00 C ATOM 1573 CG ASP B 100 0.904 -8.873 9.275 1.00 0.00 C ATOM 1574 OD1 ASP B 100 -0.107 -9.374 9.816 1.00 0.00 O ATOM 1575 OD2 ASP B 100 1.957 -9.518 9.087 1.00 0.00 O ATOM 0 H ASP B 100 -0.358 -5.322 7.934 1.00 0.00 H new ATOM 0 HA ASP B 100 1.132 -7.568 6.733 1.00 0.00 H new ATOM 0 HB2 ASP B 100 1.850 -6.981 8.961 1.00 0.00 H new ATOM 0 HB3 ASP B 100 0.199 -6.872 9.539 1.00 0.00 H new ATOM 1580 N PHE B 101 -0.790 -9.116 6.483 1.00 0.00 N ATOM 1581 CA PHE B 101 -1.931 -9.977 6.249 1.00 0.00 C ATOM 1582 C PHE B 101 -1.568 -11.442 6.439 1.00 0.00 C ATOM 1583 O PHE B 101 -0.526 -11.910 5.971 1.00 0.00 O ATOM 1584 CB PHE B 101 -2.500 -9.767 4.841 1.00 0.00 C ATOM 1585 CG PHE B 101 -3.507 -10.817 4.456 1.00 0.00 C ATOM 1586 CD1 PHE B 101 -4.748 -10.868 5.071 1.00 0.00 C ATOM 1587 CD2 PHE B 101 -3.202 -11.766 3.493 1.00 0.00 C ATOM 1588 CE1 PHE B 101 -5.664 -11.847 4.734 1.00 0.00 C ATOM 1589 CE2 PHE B 101 -4.114 -12.745 3.150 1.00 0.00 C ATOM 1590 CZ PHE B 101 -5.346 -12.786 3.772 1.00 0.00 C ATOM 0 H PHE B 101 0.082 -9.439 6.063 1.00 0.00 H new ATOM 0 HA PHE B 101 -2.691 -9.708 6.982 1.00 0.00 H new ATOM 0 HB2 PHE B 101 -2.968 -8.784 4.786 1.00 0.00 H new ATOM 0 HB3 PHE B 101 -1.683 -9.772 4.120 1.00 0.00 H new ATOM 0 HD1 PHE B 101 -5.002 -10.135 5.822 1.00 0.00 H new ATOM 0 HD2 PHE B 101 -2.239 -11.740 3.005 1.00 0.00 H new ATOM 0 HE1 PHE B 101 -6.627 -11.878 5.222 1.00 0.00 H new ATOM 0 HE2 PHE B 101 -3.864 -13.477 2.397 1.00 0.00 H new ATOM 0 HZ PHE B 101 -6.060 -13.551 3.507 1.00 0.00 H new ATOM 1600 N THR B 102 -2.444 -12.147 7.133 1.00 0.00 N ATOM 1601 CA THR B 102 -2.384 -13.586 7.235 1.00 0.00 C ATOM 1602 C THR B 102 -3.613 -14.085 7.988 1.00 0.00 C ATOM 1603 O THR B 102 -4.101 -13.426 8.910 1.00 0.00 O ATOM 1604 CB THR B 102 -1.088 -14.076 7.926 1.00 0.00 C ATOM 1605 OG1 THR B 102 -0.931 -15.485 7.718 1.00 0.00 O ATOM 1606 CG2 THR B 102 -1.094 -13.779 9.418 1.00 0.00 C ATOM 0 H THR B 102 -3.222 -11.729 7.644 1.00 0.00 H new ATOM 0 HA THR B 102 -2.372 -13.996 6.225 1.00 0.00 H new ATOM 0 HB THR B 102 -0.252 -13.537 7.481 1.00 0.00 H new ATOM 0 HG1 THR B 102 -0.943 -15.677 6.757 1.00 0.00 H new ATOM 0 HG21 THR B 102 -0.167 -14.139 9.864 1.00 0.00 H new ATOM 0 HG22 THR B 102 -1.179 -12.704 9.575 1.00 0.00 H new ATOM 0 HG23 THR B 102 -1.941 -14.281 9.886 1.00 0.00 H new ATOM 1614 N THR B 103 -4.149 -15.209 7.559 1.00 0.00 N ATOM 1615 CA THR B 103 -5.317 -15.789 8.200 1.00 0.00 C ATOM 1616 C THR B 103 -5.283 -17.304 8.066 1.00 0.00 C ATOM 1617 O THR B 103 -5.528 -17.845 6.990 1.00 0.00 O ATOM 1618 CB THR B 103 -6.624 -15.239 7.587 1.00 0.00 C ATOM 1619 OG1 THR B 103 -6.620 -13.805 7.635 1.00 0.00 O ATOM 1620 CG2 THR B 103 -7.842 -15.766 8.332 1.00 0.00 C ATOM 0 H THR B 103 -3.794 -15.743 6.766 1.00 0.00 H new ATOM 0 HA THR B 103 -5.294 -15.515 9.255 1.00 0.00 H new ATOM 0 HB THR B 103 -6.679 -15.574 6.551 1.00 0.00 H new ATOM 0 HG1 THR B 103 -6.336 -13.449 6.767 1.00 0.00 H new ATOM 0 HG21 THR B 103 -8.748 -15.363 7.879 1.00 0.00 H new ATOM 0 HG22 THR B 103 -7.861 -16.854 8.274 1.00 0.00 H new ATOM 0 HG23 THR B 103 -7.791 -15.459 9.377 1.00 0.00 H new ATOM 1628 N THR B 104 -4.953 -17.981 9.151 1.00 0.00 N ATOM 1629 CA THR B 104 -4.834 -19.427 9.138 1.00 0.00 C ATOM 1630 C THR B 104 -6.199 -20.080 9.343 1.00 0.00 C ATOM 1631 O THR B 104 -6.681 -20.205 10.468 1.00 0.00 O ATOM 1632 CB THR B 104 -3.854 -19.903 10.226 1.00 0.00 C ATOM 1633 OG1 THR B 104 -2.636 -19.147 10.141 1.00 0.00 O ATOM 1634 CG2 THR B 104 -3.541 -21.381 10.063 1.00 0.00 C ATOM 0 H THR B 104 -4.762 -17.550 10.056 1.00 0.00 H new ATOM 0 HA THR B 104 -4.445 -19.725 8.164 1.00 0.00 H new ATOM 0 HB THR B 104 -4.320 -19.750 11.200 1.00 0.00 H new ATOM 0 HG1 THR B 104 -2.014 -19.450 10.835 1.00 0.00 H new ATOM 0 HG21 THR B 104 -2.847 -21.694 10.843 1.00 0.00 H new ATOM 0 HG22 THR B 104 -4.462 -21.959 10.143 1.00 0.00 H new ATOM 0 HG23 THR B 104 -3.090 -21.552 9.086 1.00 0.00 H new ATOM 1642 N SER B 105 -6.816 -20.490 8.246 1.00 0.00 N ATOM 1643 CA SER B 105 -8.155 -21.059 8.283 1.00 0.00 C ATOM 1644 C SER B 105 -8.129 -22.555 8.598 1.00 0.00 C ATOM 1645 O SER B 105 -8.722 -23.361 7.880 1.00 0.00 O ATOM 1646 CB SER B 105 -8.856 -20.811 6.945 1.00 0.00 C ATOM 1647 OG SER B 105 -8.890 -19.424 6.644 1.00 0.00 O ATOM 0 H SER B 105 -6.408 -20.439 7.313 1.00 0.00 H new ATOM 0 HA SER B 105 -8.708 -20.568 9.084 1.00 0.00 H new ATOM 0 HB2 SER B 105 -8.336 -21.347 6.152 1.00 0.00 H new ATOM 0 HB3 SER B 105 -9.872 -21.205 6.983 1.00 0.00 H new ATOM 0 HG SER B 105 -9.340 -19.287 5.785 1.00 0.00 H new ATOM 1653 N THR B 106 -7.446 -22.922 9.676 1.00 0.00 N ATOM 1654 CA THR B 106 -7.426 -24.305 10.124 1.00 0.00 C ATOM 1655 C THR B 106 -8.650 -24.577 10.995 1.00 0.00 C ATOM 1656 O THR B 106 -8.566 -24.616 12.221 1.00 0.00 O ATOM 1657 CB THR B 106 -6.142 -24.630 10.917 1.00 0.00 C ATOM 1658 OG1 THR B 106 -4.989 -24.169 10.199 1.00 0.00 O ATOM 1659 CG2 THR B 106 -6.020 -26.129 11.155 1.00 0.00 C ATOM 0 H THR B 106 -6.901 -22.282 10.253 1.00 0.00 H new ATOM 0 HA THR B 106 -7.444 -24.945 9.242 1.00 0.00 H new ATOM 0 HB THR B 106 -6.201 -24.122 11.880 1.00 0.00 H new ATOM 0 HG1 THR B 106 -4.283 -23.928 10.834 1.00 0.00 H new ATOM 0 HG21 THR B 106 -5.108 -26.335 11.715 1.00 0.00 H new ATOM 0 HG22 THR B 106 -6.882 -26.479 11.723 1.00 0.00 H new ATOM 0 HG23 THR B 106 -5.982 -26.648 10.197 1.00 0.00 H new ATOM 1667 N SER B 107 -9.789 -24.748 10.348 1.00 0.00 N ATOM 1668 CA SER B 107 -11.046 -24.935 11.049 1.00 0.00 C ATOM 1669 C SER B 107 -11.265 -26.410 11.382 1.00 0.00 C ATOM 1670 O SER B 107 -12.136 -26.754 12.182 1.00 0.00 O ATOM 1671 CB SER B 107 -12.195 -24.397 10.189 1.00 0.00 C ATOM 1672 OG SER B 107 -13.421 -24.388 10.902 1.00 0.00 O ATOM 0 H SER B 107 -9.869 -24.761 9.331 1.00 0.00 H new ATOM 0 HA SER B 107 -11.015 -24.383 11.988 1.00 0.00 H new ATOM 0 HB2 SER B 107 -11.959 -23.386 9.857 1.00 0.00 H new ATOM 0 HB3 SER B 107 -12.298 -25.010 9.294 1.00 0.00 H new ATOM 0 HG SER B 107 -13.412 -25.099 11.576 1.00 0.00 H new ATOM 1678 N THR B 108 -10.473 -27.280 10.773 1.00 0.00 N ATOM 1679 CA THR B 108 -10.595 -28.709 11.015 1.00 0.00 C ATOM 1680 C THR B 108 -9.321 -29.282 11.642 1.00 0.00 C ATOM 1681 O THR B 108 -8.373 -29.632 10.940 1.00 0.00 O ATOM 1682 CB THR B 108 -10.918 -29.461 9.711 1.00 0.00 C ATOM 1683 OG1 THR B 108 -12.084 -28.889 9.107 1.00 0.00 O ATOM 1684 CG2 THR B 108 -11.162 -30.940 9.980 1.00 0.00 C ATOM 0 H THR B 108 -9.742 -27.022 10.110 1.00 0.00 H new ATOM 0 HA THR B 108 -11.417 -28.848 11.718 1.00 0.00 H new ATOM 0 HB THR B 108 -10.065 -29.368 9.039 1.00 0.00 H new ATOM 0 HG1 THR B 108 -12.289 -29.366 8.276 1.00 0.00 H new ATOM 0 HG21 THR B 108 -11.388 -31.448 9.042 1.00 0.00 H new ATOM 0 HG22 THR B 108 -10.270 -31.381 10.426 1.00 0.00 H new ATOM 0 HG23 THR B 108 -12.003 -31.051 10.665 1.00 0.00 H new ATOM 1692 N PRO B 109 -9.284 -29.379 12.981 1.00 0.00 N ATOM 1693 CA PRO B 109 -8.161 -29.984 13.704 1.00 0.00 C ATOM 1694 C PRO B 109 -8.117 -31.495 13.508 1.00 0.00 C ATOM 1695 O PRO B 109 -7.096 -32.137 13.748 1.00 0.00 O ATOM 1696 CB PRO B 109 -8.437 -29.644 15.176 1.00 0.00 C ATOM 1697 CG PRO B 109 -9.526 -28.622 15.153 1.00 0.00 C ATOM 1698 CD PRO B 109 -10.313 -28.887 13.904 1.00 0.00 C ATOM 0 HA PRO B 109 -7.200 -29.610 13.351 1.00 0.00 H new ATOM 0 HB2 PRO B 109 -8.742 -30.530 15.733 1.00 0.00 H new ATOM 0 HB3 PRO B 109 -7.543 -29.254 15.663 1.00 0.00 H new ATOM 0 HG2 PRO B 109 -10.158 -28.705 16.037 1.00 0.00 H new ATOM 0 HG3 PRO B 109 -9.114 -27.613 15.148 1.00 0.00 H new ATOM 0 HD2 PRO B 109 -11.098 -29.625 14.068 1.00 0.00 H new ATOM 0 HD3 PRO B 109 -10.797 -27.985 13.530 1.00 0.00 H new ATOM 1706 N GLY B 110 -9.235 -32.053 13.052 1.00 0.00 N ATOM 1707 CA GLY B 110 -9.326 -33.482 12.811 1.00 0.00 C ATOM 1708 C GLY B 110 -8.427 -33.943 11.681 1.00 0.00 C ATOM 1709 O GLY B 110 -8.223 -35.141 11.495 1.00 0.00 O ATOM 0 H GLY B 110 -10.088 -31.534 12.843 1.00 0.00 H new ATOM 0 HA2 GLY B 110 -9.061 -34.018 13.722 1.00 0.00 H new ATOM 0 HA3 GLY B 110 -10.358 -33.742 12.578 1.00 0.00 H new ATOM 1713 N SER B 111 -7.895 -32.991 10.923 1.00 0.00 N ATOM 1714 CA SER B 111 -6.947 -33.295 9.863 1.00 0.00 C ATOM 1715 C SER B 111 -5.609 -33.720 10.463 1.00 0.00 C ATOM 1716 O SER B 111 -4.780 -34.339 9.795 1.00 0.00 O ATOM 1717 CB SER B 111 -6.770 -32.074 8.960 1.00 0.00 C ATOM 1718 OG SER B 111 -8.030 -31.599 8.509 1.00 0.00 O ATOM 0 H SER B 111 -8.107 -31.998 11.025 1.00 0.00 H new ATOM 0 HA SER B 111 -7.332 -34.119 9.262 1.00 0.00 H new ATOM 0 HB2 SER B 111 -6.251 -31.285 9.504 1.00 0.00 H new ATOM 0 HB3 SER B 111 -6.146 -32.335 8.105 1.00 0.00 H new ATOM 0 HG SER B 111 -8.365 -30.919 9.130 1.00 0.00 H new ATOM 1724 N ARG B 112 -5.415 -33.378 11.731 1.00 0.00 N ATOM 1725 CA ARG B 112 -4.239 -33.799 12.476 1.00 0.00 C ATOM 1726 C ARG B 112 -4.413 -35.240 12.938 1.00 0.00 C ATOM 1727 O ARG B 112 -3.517 -36.070 12.778 1.00 0.00 O ATOM 1728 CB ARG B 112 -4.035 -32.885 13.686 1.00 0.00 C ATOM 1729 CG ARG B 112 -2.894 -33.305 14.594 1.00 0.00 C ATOM 1730 CD ARG B 112 -2.880 -32.484 15.871 1.00 0.00 C ATOM 1731 NE ARG B 112 -1.777 -32.852 16.756 1.00 0.00 N ATOM 1732 CZ ARG B 112 -1.804 -32.706 18.082 1.00 0.00 C ATOM 1733 NH1 ARG B 112 -2.891 -32.234 18.680 1.00 0.00 N ATOM 1734 NH2 ARG B 112 -0.746 -33.034 18.811 1.00 0.00 N ATOM 0 H ARG B 112 -6.066 -32.804 12.268 1.00 0.00 H new ATOM 0 HA ARG B 112 -3.363 -33.733 11.830 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -3.850 -31.870 13.334 1.00 0.00 H new ATOM 0 HB3 ARG B 112 -4.957 -32.858 14.267 1.00 0.00 H new ATOM 0 HG2 ARG B 112 -2.991 -34.363 14.839 1.00 0.00 H new ATOM 0 HG3 ARG B 112 -1.946 -33.185 14.070 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -2.803 -31.426 15.619 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -3.825 -32.619 16.397 1.00 0.00 H new ATOM 0 HE ARG B 112 -0.935 -33.244 16.334 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -3.709 -31.982 18.126 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -2.908 -32.124 19.694 1.00 0.00 H new ATOM 0 HH21 ARG B 112 0.092 -33.399 18.358 1.00 0.00 H new ATOM 0 HH22 ARG B 112 -0.770 -32.921 19.824 1.00 0.00 H new ATOM 1748 N SER B 113 -5.582 -35.521 13.495 1.00 0.00 N ATOM 1749 CA SER B 113 -5.903 -36.840 14.011 1.00 0.00 C ATOM 1750 C SER B 113 -5.957 -37.867 12.885 1.00 0.00 C ATOM 1751 O SER B 113 -6.450 -37.575 11.794 1.00 0.00 O ATOM 1752 CB SER B 113 -7.251 -36.787 14.728 1.00 0.00 C ATOM 1753 OG SER B 113 -7.311 -35.678 15.609 1.00 0.00 O ATOM 0 H SER B 113 -6.334 -34.840 13.601 1.00 0.00 H new ATOM 0 HA SER B 113 -5.123 -37.142 14.710 1.00 0.00 H new ATOM 0 HB2 SER B 113 -8.055 -36.719 13.995 1.00 0.00 H new ATOM 0 HB3 SER B 113 -7.407 -37.710 15.287 1.00 0.00 H new ATOM 0 HG SER B 113 -8.183 -35.662 16.056 1.00 0.00 H new ATOM 1759 N HIS B 114 -5.445 -39.064 13.159 1.00 0.00 N ATOM 1760 CA HIS B 114 -5.471 -40.166 12.199 1.00 0.00 C ATOM 1761 C HIS B 114 -4.627 -39.823 10.973 1.00 0.00 C ATOM 1762 O HIS B 114 -3.501 -39.338 11.112 1.00 0.00 O ATOM 1763 CB HIS B 114 -6.914 -40.502 11.786 1.00 0.00 C ATOM 1764 CG HIS B 114 -7.793 -40.906 12.928 1.00 0.00 C ATOM 1765 ND1 HIS B 114 -8.807 -40.110 13.416 1.00 0.00 N ATOM 1766 CD2 HIS B 114 -7.805 -42.029 13.684 1.00 0.00 C ATOM 1767 CE1 HIS B 114 -9.398 -40.723 14.422 1.00 0.00 C ATOM 1768 NE2 HIS B 114 -8.811 -41.888 14.604 1.00 0.00 N ATOM 0 H HIS B 114 -5.002 -39.298 14.048 1.00 0.00 H new ATOM 0 HA HIS B 114 -5.045 -41.047 12.679 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -7.352 -39.634 11.293 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -6.893 -41.309 11.053 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -7.145 -42.878 13.581 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -10.224 -40.335 15.000 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -9.064 -42.574 15.315 1.00 0.00 H new ATOM 1777 N HIS B 115 -5.170 -40.093 9.784 1.00 0.00 N ATOM 1778 CA HIS B 115 -4.482 -39.818 8.524 1.00 0.00 C ATOM 1779 C HIS B 115 -3.197 -40.630 8.410 1.00 0.00 C ATOM 1780 O HIS B 115 -2.229 -40.201 7.780 1.00 0.00 O ATOM 1781 CB HIS B 115 -4.187 -38.319 8.365 1.00 0.00 C ATOM 1782 CG HIS B 115 -5.399 -37.490 8.052 1.00 0.00 C ATOM 1783 ND1 HIS B 115 -5.482 -36.668 6.948 1.00 0.00 N ATOM 1784 CD2 HIS B 115 -6.577 -37.355 8.704 1.00 0.00 C ATOM 1785 CE1 HIS B 115 -6.658 -36.066 6.938 1.00 0.00 C ATOM 1786 NE2 HIS B 115 -7.345 -36.466 7.991 1.00 0.00 N ATOM 0 H HIS B 115 -6.095 -40.507 9.669 1.00 0.00 H new ATOM 0 HA HIS B 115 -5.149 -40.119 7.716 1.00 0.00 H new ATOM 0 HB2 HIS B 115 -3.733 -37.949 9.284 1.00 0.00 H new ATOM 0 HB3 HIS B 115 -3.453 -38.186 7.571 1.00 0.00 H new ATOM 0 HD2 HIS B 115 -6.862 -37.855 9.618 1.00 0.00 H new ATOM 0 HE1 HIS B 115 -7.000 -35.364 6.192 1.00 0.00 H new ATOM 0 HE2 HIS B 115 -8.289 -36.166 8.235 1.00 0.00 H new ATOM 1795 N HIS B 116 -3.197 -41.815 9.011 1.00 0.00 N ATOM 1796 CA HIS B 116 -2.043 -42.709 8.945 1.00 0.00 C ATOM 1797 C HIS B 116 -2.243 -43.731 7.836 1.00 0.00 C ATOM 1798 O HIS B 116 -1.431 -44.636 7.649 1.00 0.00 O ATOM 1799 CB HIS B 116 -1.817 -43.426 10.282 1.00 0.00 C ATOM 1800 CG HIS B 116 -1.424 -42.514 11.402 1.00 0.00 C ATOM 1801 ND1 HIS B 116 -1.937 -42.618 12.677 1.00 0.00 N ATOM 1802 CD2 HIS B 116 -0.551 -41.481 11.437 1.00 0.00 C ATOM 1803 CE1 HIS B 116 -1.399 -41.690 13.443 1.00 0.00 C ATOM 1804 NE2 HIS B 116 -0.553 -40.989 12.716 1.00 0.00 N ATOM 0 H HIS B 116 -3.982 -42.180 9.550 1.00 0.00 H new ATOM 0 HA HIS B 116 -1.160 -42.107 8.731 1.00 0.00 H new ATOM 0 HB2 HIS B 116 -2.730 -43.953 10.559 1.00 0.00 H new ATOM 0 HB3 HIS B 116 -1.041 -44.180 10.152 1.00 0.00 H new ATOM 0 HD2 HIS B 116 0.038 -41.112 10.610 1.00 0.00 H new ATOM 0 HE1 HIS B 116 -1.615 -41.531 14.489 1.00 0.00 H new ATOM 0 HE2 HIS B 116 0.009 -40.207 13.051 1.00 0.00 H new ATOM 1813 N HIS B 117 -3.340 -43.579 7.114 1.00 0.00 N ATOM 1814 CA HIS B 117 -3.663 -44.450 5.999 1.00 0.00 C ATOM 1815 C HIS B 117 -4.250 -43.611 4.868 1.00 0.00 C ATOM 1816 O HIS B 117 -5.265 -43.971 4.269 1.00 0.00 O ATOM 1817 CB HIS B 117 -4.654 -45.530 6.452 1.00 0.00 C ATOM 1818 CG HIS B 117 -4.813 -46.661 5.486 1.00 0.00 C ATOM 1819 ND1 HIS B 117 -5.948 -46.857 4.734 1.00 0.00 N ATOM 1820 CD2 HIS B 117 -3.975 -47.672 5.166 1.00 0.00 C ATOM 1821 CE1 HIS B 117 -5.803 -47.939 3.998 1.00 0.00 C ATOM 1822 NE2 HIS B 117 -4.613 -48.455 4.239 1.00 0.00 N ATOM 0 H HIS B 117 -4.031 -42.848 7.285 1.00 0.00 H new ATOM 0 HA HIS B 117 -2.762 -44.947 5.640 1.00 0.00 H new ATOM 0 HB2 HIS B 117 -4.325 -45.930 7.411 1.00 0.00 H new ATOM 0 HB3 HIS B 117 -5.627 -45.068 6.616 1.00 0.00 H new ATOM 0 HD2 HIS B 117 -2.985 -47.833 5.567 1.00 0.00 H new ATOM 0 HE1 HIS B 117 -6.536 -48.337 3.312 1.00 0.00 H new ATOM 0 HE2 HIS B 117 -4.231 -49.297 3.807 1.00 0.00 H new ATOM 1831 N HIS B 118 -3.591 -42.481 4.597 1.00 0.00 N ATOM 1832 CA HIS B 118 -4.064 -41.487 3.626 1.00 0.00 C ATOM 1833 C HIS B 118 -5.343 -40.807 4.105 1.00 0.00 C ATOM 1834 O HIS B 118 -5.329 -39.636 4.485 1.00 0.00 O ATOM 1835 CB HIS B 118 -4.284 -42.102 2.237 1.00 0.00 C ATOM 1836 CG HIS B 118 -3.028 -42.322 1.453 1.00 0.00 C ATOM 1837 ND1 HIS B 118 -2.749 -41.649 0.283 1.00 0.00 N ATOM 1838 CD2 HIS B 118 -1.982 -43.156 1.660 1.00 0.00 C ATOM 1839 CE1 HIS B 118 -1.592 -42.059 -0.194 1.00 0.00 C ATOM 1840 NE2 HIS B 118 -1.105 -42.971 0.622 1.00 0.00 N ATOM 0 H HIS B 118 -2.711 -42.228 5.046 1.00 0.00 H new ATOM 0 HA HIS B 118 -3.279 -40.735 3.542 1.00 0.00 H new ATOM 0 HB2 HIS B 118 -4.798 -43.056 2.353 1.00 0.00 H new ATOM 0 HB3 HIS B 118 -4.946 -41.451 1.665 1.00 0.00 H new ATOM 0 HD2 HIS B 118 -1.861 -43.839 2.488 1.00 0.00 H new ATOM 0 HE1 HIS B 118 -1.122 -41.707 -1.101 1.00 0.00 H new ATOM 0 HE2 HIS B 118 -0.218 -43.461 0.501 1.00 0.00 H new ATOM 1849 N HIS B 119 -6.443 -41.545 4.089 1.00 0.00 N ATOM 1850 CA HIS B 119 -7.736 -41.017 4.491 1.00 0.00 C ATOM 1851 C HIS B 119 -8.482 -42.047 5.320 1.00 0.00 C ATOM 1852 O HIS B 119 -9.091 -42.958 4.726 1.00 0.00 O ATOM 1853 CB HIS B 119 -8.571 -40.634 3.266 1.00 0.00 C ATOM 1854 CG HIS B 119 -8.037 -39.458 2.511 1.00 0.00 C ATOM 1855 ND1 HIS B 119 -7.395 -39.571 1.297 1.00 0.00 N ATOM 1856 CD2 HIS B 119 -8.055 -38.138 2.804 1.00 0.00 C ATOM 1857 CE1 HIS B 119 -7.041 -38.370 0.878 1.00 0.00 C ATOM 1858 NE2 HIS B 119 -7.431 -37.481 1.772 1.00 0.00 N ATOM 1859 OXT HIS B 119 -8.449 -41.951 6.564 1.00 0.00 O ATOM 0 H HIS B 119 -6.464 -42.522 3.798 1.00 0.00 H new ATOM 0 HA HIS B 119 -7.570 -40.122 5.091 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -8.626 -41.490 2.594 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -9.589 -40.415 3.587 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -8.481 -37.684 3.686 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -6.520 -38.152 -0.042 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -7.292 -36.473 1.707 1.00 0.00 H new TER 1868 HIS B 119