USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 966 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 ASN : amide:sc= 0.67 K(o=1.5,f=-3!) USER MOD Set 1.2: A 114 SER OG : rot 35:sc= 0.319 USER MOD Set 1.3: A 115 SER OG : rot -127:sc= 0.487 USER MOD Set 2.1: A 97 TYR OH : rot 180:sc= -0.0928 USER MOD Set 2.2: A 99 HIS : no HD1:sc= 1.13 K(o=1.3,f=-7.2!) USER MOD Set 2.3: A 112 SER OG : rot -82:sc= 0.267 USER MOD Set 3.1: A 3 THR OG1 : rot 168:sc= -0.388! USER MOD Set 3.2: A 42 GLN : amide:sc= 0.899 K(o=0.51,f=-1.1) USER MOD Set 4.1: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 51 GLN : amide:sc= -1.27! K(o=-1.3!,f=-0.67) USER MOD Single : A 5 LYS NZ :NH3+ -158:sc= 1.23 (180deg=1.14) USER MOD Single : A 6 TYR OH : rot 161:sc= 0.692 USER MOD Single : A 10 SER OG : rot 180:sc= -0.121 USER MOD Single : A 13 ASN : amide:sc= 1.02 K(o=1,f=-1.5!) USER MOD Single : A 14 TYR OH : rot -148:sc= 0.395 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.23) USER MOD Single : A 30 MET CE :methyl 135:sc= -1.32 (180deg=-2.07!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 170:sc= 0.994 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.348 K(o=-0.35,f=-2.1!) USER MOD Single : A 45 ASN : amide:sc= -1.19 X(o=-1.2,f=-1) USER MOD Single : A 48 THR OG1 : rot -140:sc= -1.8! USER MOD Single : A 50 THR OG1 : rot 83:sc= 0.348 USER MOD Single : A 52 HIS : no HD1:sc= 0.909 K(o=0.91,f=-3.7!) USER MOD Single : A 58 THR OG1 : rot 18:sc= 1.03 USER MOD Single : A 59 THR OG1 : rot 80:sc= 0.0414 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.873 USER MOD Single : A 61 ASN : amide:sc= -0.416 K(o=-0.42,f=-6.8!) USER MOD Single : A 62 SER OG : rot 29:sc= 0.164 USER MOD Single : A 64 THR OG1 : rot 180:sc= -2.62! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -169:sc= -1.66 (180deg=-1.83) USER MOD Single : A 73 THR OG1 : rot 137:sc= -0.624 USER MOD Single : A 74 MET CE :methyl 163:sc= -0.199 (180deg=-0.78) USER MOD Single : A 78 LYS NZ :NH3+ 151:sc= 0.811 (180deg=-0.1) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -177:sc= -2.15 (180deg=-2.21) USER MOD Single : A 89 LYS NZ :NH3+ -121:sc= 1.7 (180deg=0.0362) USER MOD Single : A 98 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.0038) USER MOD Single : A 100 THR OG1 : rot 37:sc= 0.0605 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -124:sc= 1.26 (180deg=-0.424) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 119 TYR OH : rot 130:sc= -0.661 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.0439 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 135:sc= 1.25 (180deg=0.383) USER MOD Single : A 125 LYS NZ :NH3+ 154:sc= -0.141 (180deg=-0.756) USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 2 -12.201 -6.694 -2.858 1.00 0.35 N ATOM 12 CA PHE A 2 -10.954 -6.329 -2.204 1.00 0.27 C ATOM 13 C PHE A 2 -10.702 -7.172 -0.960 1.00 0.23 C ATOM 14 O PHE A 2 -9.557 -7.326 -0.545 1.00 0.25 O ATOM 15 CB PHE A 2 -10.960 -4.842 -1.839 1.00 0.33 C ATOM 16 CG PHE A 2 -10.646 -3.947 -3.001 1.00 0.31 C ATOM 17 CD1 PHE A 2 -9.339 -3.785 -3.430 1.00 1.22 C ATOM 18 CD2 PHE A 2 -11.654 -3.271 -3.666 1.00 1.24 C ATOM 19 CE1 PHE A 2 -9.046 -2.968 -4.501 1.00 1.23 C ATOM 20 CE2 PHE A 2 -11.364 -2.451 -4.739 1.00 1.24 C ATOM 21 CZ PHE A 2 -10.059 -2.301 -5.156 1.00 0.36 C ATOM 0 HA PHE A 2 -10.145 -6.523 -2.908 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -11.938 -4.577 -1.438 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.233 -4.666 -1.046 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -8.541 -4.304 -2.920 1.00 1.22 H new ATOM 0 HD2 PHE A 2 -12.678 -3.386 -3.343 1.00 1.24 H new ATOM 0 HE1 PHE A 2 -8.023 -2.851 -4.827 1.00 1.23 H new ATOM 0 HE2 PHE A 2 -12.159 -1.928 -5.250 1.00 1.24 H new ATOM 0 HZ PHE A 2 -9.830 -1.661 -5.995 1.00 0.36 H new ATOM 31 N THR A 3 -11.766 -7.707 -0.368 1.00 0.20 N ATOM 32 CA THR A 3 -11.643 -8.532 0.823 1.00 0.19 C ATOM 33 C THR A 3 -10.700 -9.704 0.598 1.00 0.19 C ATOM 34 O THR A 3 -10.747 -10.365 -0.443 1.00 0.26 O ATOM 35 CB THR A 3 -13.007 -9.079 1.255 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.032 -8.121 0.959 1.00 0.24 O ATOM 37 CG2 THR A 3 -12.994 -9.393 2.740 1.00 0.26 C ATOM 0 H THR A 3 -12.723 -7.582 -0.697 1.00 0.20 H new ATOM 0 HA THR A 3 -11.237 -7.892 1.606 1.00 0.19 H new ATOM 0 HB THR A 3 -13.214 -9.997 0.705 1.00 0.21 H new ATOM 0 HG1 THR A 3 -14.911 -8.545 1.048 1.00 0.24 H new ATOM 0 HG21 THR A 3 -13.968 -9.781 3.038 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.227 -10.139 2.947 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.778 -8.484 3.302 1.00 0.26 H new ATOM 45 N GLY A 4 -9.849 -9.962 1.576 1.00 0.19 N ATOM 46 CA GLY A 4 -8.914 -11.053 1.462 1.00 0.21 C ATOM 47 C GLY A 4 -7.530 -10.663 1.888 1.00 0.19 C ATOM 48 O GLY A 4 -7.267 -9.498 2.180 1.00 0.21 O ATOM 0 H GLY A 4 -9.791 -9.434 2.447 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.258 -11.888 2.072 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -8.889 -11.401 0.429 1.00 0.21 H new ATOM 52 N LYS A 5 -6.659 -11.644 1.960 1.00 0.20 N ATOM 53 CA LYS A 5 -5.281 -11.404 2.326 1.00 0.20 C ATOM 54 C LYS A 5 -4.432 -11.396 1.060 1.00 0.18 C ATOM 55 O LYS A 5 -4.723 -12.118 0.100 1.00 0.19 O ATOM 56 CB LYS A 5 -4.794 -12.461 3.329 1.00 0.23 C ATOM 57 CG LYS A 5 -3.742 -13.404 2.764 1.00 0.28 C ATOM 58 CD LYS A 5 -3.674 -14.717 3.523 1.00 0.31 C ATOM 59 CE LYS A 5 -3.491 -14.511 5.015 1.00 0.56 C ATOM 60 NZ LYS A 5 -3.501 -15.804 5.747 1.00 1.54 N ATOM 0 H LYS A 5 -6.882 -12.621 1.769 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.191 -10.435 2.818 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.384 -11.957 4.204 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -5.648 -13.046 3.669 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -3.963 -13.605 1.716 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -2.767 -12.918 2.797 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -4.588 -15.284 3.346 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -2.848 -15.315 3.137 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.549 -13.994 5.199 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -4.286 -13.870 5.395 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -3.747 -15.637 6.744 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -4.204 -16.440 5.319 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -2.559 -16.241 5.692 1.00 1.54 H new ATOM 74 N TYR A 6 -3.405 -10.569 1.046 1.00 0.19 N ATOM 75 CA TYR A 6 -2.541 -10.466 -0.114 1.00 0.19 C ATOM 76 C TYR A 6 -1.089 -10.652 0.278 1.00 0.19 C ATOM 77 O TYR A 6 -0.661 -10.197 1.337 1.00 0.23 O ATOM 78 CB TYR A 6 -2.727 -9.111 -0.796 1.00 0.22 C ATOM 79 CG TYR A 6 -4.123 -8.886 -1.318 1.00 0.23 C ATOM 80 CD1 TYR A 6 -4.549 -9.497 -2.489 1.00 1.14 C ATOM 81 CD2 TYR A 6 -5.018 -8.067 -0.641 1.00 1.25 C ATOM 82 CE1 TYR A 6 -5.824 -9.300 -2.973 1.00 1.13 C ATOM 83 CE2 TYR A 6 -6.296 -7.866 -1.118 1.00 1.29 C ATOM 84 CZ TYR A 6 -6.693 -8.483 -2.286 1.00 0.35 C ATOM 85 OH TYR A 6 -7.967 -8.284 -2.765 1.00 0.44 O ATOM 0 H TYR A 6 -3.149 -9.960 1.823 1.00 0.19 H new ATOM 0 HA TYR A 6 -2.815 -11.256 -0.813 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.481 -8.320 -0.088 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.021 -9.030 -1.623 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -3.869 -10.138 -3.030 1.00 1.14 H new ATOM 0 HD2 TYR A 6 -4.708 -7.581 0.272 1.00 1.25 H new ATOM 0 HE1 TYR A 6 -6.140 -9.784 -3.886 1.00 1.13 H new ATOM 0 HE2 TYR A 6 -6.982 -7.229 -0.580 1.00 1.29 H new ATOM 0 HH TYR A 6 -8.539 -7.949 -2.043 1.00 0.44 H new ATOM 95 N GLU A 7 -0.345 -11.336 -0.575 1.00 0.19 N ATOM 96 CA GLU A 7 1.070 -11.590 -0.348 1.00 0.21 C ATOM 97 C GLU A 7 1.879 -11.145 -1.552 1.00 0.19 C ATOM 98 O GLU A 7 1.336 -11.012 -2.652 1.00 0.22 O ATOM 99 CB GLU A 7 1.331 -13.071 -0.094 1.00 0.26 C ATOM 100 CG GLU A 7 0.981 -13.531 1.309 1.00 0.33 C ATOM 101 CD GLU A 7 1.108 -15.031 1.474 1.00 0.59 C ATOM 102 OE1 GLU A 7 1.744 -15.674 0.607 1.00 1.20 O ATOM 103 OE2 GLU A 7 0.567 -15.573 2.457 1.00 1.41 O ATOM 0 H GLU A 7 -0.704 -11.731 -1.444 1.00 0.19 H new ATOM 0 HA GLU A 7 1.371 -11.024 0.533 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.757 -13.658 -0.811 1.00 0.26 H new ATOM 0 HB3 GLU A 7 2.384 -13.280 -0.281 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.635 -13.033 2.025 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.039 -13.228 1.544 1.00 0.33 H new ATOM 110 N PHE A 8 3.167 -10.916 -1.333 1.00 0.23 N ATOM 111 CA PHE A 8 4.072 -10.497 -2.396 1.00 0.25 C ATOM 112 C PHE A 8 4.037 -11.480 -3.565 1.00 0.24 C ATOM 113 O PHE A 8 4.172 -12.689 -3.379 1.00 0.33 O ATOM 114 CB PHE A 8 5.506 -10.377 -1.859 1.00 0.33 C ATOM 115 CG PHE A 8 6.541 -10.143 -2.932 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.474 -9.024 -3.748 1.00 1.32 C ATOM 117 CD2 PHE A 8 7.573 -11.048 -3.128 1.00 1.55 C ATOM 118 CE1 PHE A 8 7.415 -8.814 -4.736 1.00 1.57 C ATOM 119 CE2 PHE A 8 8.518 -10.840 -4.115 1.00 1.86 C ATOM 120 CZ PHE A 8 8.438 -9.722 -4.919 1.00 1.49 C ATOM 0 H PHE A 8 3.612 -11.014 -0.420 1.00 0.23 H new ATOM 0 HA PHE A 8 3.741 -9.522 -2.755 1.00 0.25 H new ATOM 0 HB2 PHE A 8 5.548 -9.557 -1.142 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.758 -11.288 -1.317 1.00 0.33 H new ATOM 0 HD1 PHE A 8 5.677 -8.309 -3.609 1.00 1.32 H new ATOM 0 HD2 PHE A 8 7.639 -11.926 -2.502 1.00 1.55 H new ATOM 0 HE1 PHE A 8 7.351 -7.939 -5.366 1.00 1.57 H new ATOM 0 HE2 PHE A 8 9.318 -11.552 -4.257 1.00 1.86 H new ATOM 0 HZ PHE A 8 9.175 -9.557 -5.691 1.00 1.49 H new ATOM 130 N GLU A 9 3.831 -10.947 -4.758 1.00 0.25 N ATOM 131 CA GLU A 9 3.786 -11.752 -5.966 1.00 0.26 C ATOM 132 C GLU A 9 4.752 -11.195 -7.000 1.00 0.28 C ATOM 133 O GLU A 9 5.590 -11.915 -7.544 1.00 0.34 O ATOM 134 CB GLU A 9 2.370 -11.774 -6.528 1.00 0.27 C ATOM 135 CG GLU A 9 2.270 -12.424 -7.894 1.00 0.35 C ATOM 136 CD GLU A 9 2.153 -13.934 -7.829 1.00 0.61 C ATOM 137 OE1 GLU A 9 2.435 -14.517 -6.764 1.00 1.46 O ATOM 138 OE2 GLU A 9 1.772 -14.549 -8.854 1.00 1.19 O ATOM 0 H GLU A 9 3.691 -9.949 -4.915 1.00 0.25 H new ATOM 0 HA GLU A 9 4.082 -12.772 -5.722 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.720 -12.306 -5.833 1.00 0.27 H new ATOM 0 HB3 GLU A 9 1.998 -10.752 -6.593 1.00 0.27 H new ATOM 0 HG2 GLU A 9 1.404 -12.021 -8.419 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.150 -12.159 -8.481 1.00 0.35 H new ATOM 145 N SER A 10 4.626 -9.907 -7.277 1.00 0.26 N ATOM 146 CA SER A 10 5.478 -9.243 -8.249 1.00 0.29 C ATOM 147 C SER A 10 5.614 -7.763 -7.908 1.00 0.27 C ATOM 148 O SER A 10 4.819 -7.228 -7.135 1.00 0.32 O ATOM 149 CB SER A 10 4.885 -9.414 -9.652 1.00 0.34 C ATOM 150 OG SER A 10 4.695 -10.785 -9.968 1.00 1.01 O ATOM 0 H SER A 10 3.936 -9.297 -6.838 1.00 0.26 H new ATOM 0 HA SER A 10 6.470 -9.694 -8.223 1.00 0.29 H new ATOM 0 HB2 SER A 10 3.932 -8.889 -9.713 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.548 -8.958 -10.387 1.00 0.34 H new ATOM 0 HG SER A 10 4.314 -10.864 -10.868 1.00 1.01 H new ATOM 156 N ASP A 11 6.613 -7.108 -8.482 1.00 0.28 N ATOM 157 CA ASP A 11 6.841 -5.692 -8.240 1.00 0.28 C ATOM 158 C ASP A 11 7.622 -5.092 -9.398 1.00 0.28 C ATOM 159 O ASP A 11 8.360 -5.793 -10.092 1.00 0.34 O ATOM 160 CB ASP A 11 7.585 -5.457 -6.911 1.00 0.32 C ATOM 161 CG ASP A 11 9.085 -5.697 -7.001 1.00 0.97 C ATOM 162 OD1 ASP A 11 9.814 -4.797 -7.465 1.00 1.71 O ATOM 163 OD2 ASP A 11 9.548 -6.783 -6.592 1.00 1.72 O ATOM 0 H ASP A 11 7.281 -7.538 -9.122 1.00 0.28 H new ATOM 0 HA ASP A 11 5.871 -5.200 -8.164 1.00 0.28 H new ATOM 0 HB2 ASP A 11 7.409 -4.433 -6.582 1.00 0.32 H new ATOM 0 HB3 ASP A 11 7.166 -6.114 -6.149 1.00 0.32 H new ATOM 168 N GLU A 12 7.436 -3.807 -9.619 1.00 0.26 N ATOM 169 CA GLU A 12 8.118 -3.108 -10.693 1.00 0.27 C ATOM 170 C GLU A 12 8.524 -1.719 -10.230 1.00 0.25 C ATOM 171 O GLU A 12 7.766 -1.048 -9.526 1.00 0.26 O ATOM 172 CB GLU A 12 7.210 -3.017 -11.922 1.00 0.32 C ATOM 173 CG GLU A 12 7.664 -2.007 -12.976 1.00 0.38 C ATOM 174 CD GLU A 12 6.636 -1.803 -14.076 1.00 0.57 C ATOM 175 OE1 GLU A 12 6.288 -2.787 -14.760 1.00 1.00 O ATOM 176 OE2 GLU A 12 6.186 -0.654 -14.272 1.00 1.44 O ATOM 0 H GLU A 12 6.813 -3.220 -9.065 1.00 0.26 H new ATOM 0 HA GLU A 12 9.016 -3.663 -10.966 1.00 0.27 H new ATOM 0 HB2 GLU A 12 7.148 -4.002 -12.385 1.00 0.32 H new ATOM 0 HB3 GLU A 12 6.204 -2.754 -11.595 1.00 0.32 H new ATOM 0 HG2 GLU A 12 7.867 -1.051 -12.493 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.601 -2.346 -13.418 1.00 0.38 H new ATOM 183 N ASN A 13 9.720 -1.310 -10.633 1.00 0.25 N ATOM 184 CA ASN A 13 10.280 -0.003 -10.283 1.00 0.25 C ATOM 185 C ASN A 13 10.431 0.146 -8.773 1.00 0.23 C ATOM 186 O ASN A 13 10.334 1.253 -8.252 1.00 0.30 O ATOM 187 CB ASN A 13 9.413 1.148 -10.815 1.00 0.29 C ATOM 188 CG ASN A 13 9.602 1.401 -12.294 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.650 1.091 -12.862 1.00 0.51 O ATOM 190 ND2 ASN A 13 8.591 1.983 -12.924 1.00 0.84 N ATOM 0 H ASN A 13 10.336 -1.877 -11.216 1.00 0.25 H new ATOM 0 HA ASN A 13 11.262 0.050 -10.752 1.00 0.25 H new ATOM 0 HB2 ASN A 13 8.364 0.923 -10.622 1.00 0.29 H new ATOM 0 HB3 ASN A 13 9.650 2.058 -10.264 1.00 0.29 H new ATOM 0 HD21 ASN A 13 8.663 2.192 -13.920 1.00 0.84 H new ATOM 0 HD22 ASN A 13 7.741 2.222 -12.413 1.00 0.84 H new ATOM 197 N TYR A 14 10.690 -0.958 -8.076 1.00 0.23 N ATOM 198 CA TYR A 14 10.838 -0.924 -6.621 1.00 0.25 C ATOM 199 C TYR A 14 11.958 0.019 -6.192 1.00 0.23 C ATOM 200 O TYR A 14 11.708 1.010 -5.503 1.00 0.22 O ATOM 201 CB TYR A 14 11.106 -2.326 -6.058 1.00 0.32 C ATOM 202 CG TYR A 14 11.112 -2.372 -4.542 1.00 0.44 C ATOM 203 CD1 TYR A 14 12.268 -2.091 -3.825 1.00 1.28 C ATOM 204 CD2 TYR A 14 9.957 -2.675 -3.827 1.00 1.30 C ATOM 205 CE1 TYR A 14 12.276 -2.106 -2.444 1.00 1.39 C ATOM 206 CE2 TYR A 14 9.959 -2.698 -2.445 1.00 1.36 C ATOM 207 CZ TYR A 14 11.120 -2.410 -1.759 1.00 0.78 C ATOM 208 OH TYR A 14 11.121 -2.412 -0.384 1.00 0.98 O ATOM 0 H TYR A 14 10.801 -1.883 -8.491 1.00 0.23 H new ATOM 0 HA TYR A 14 9.896 -0.552 -6.217 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.346 -3.012 -6.432 1.00 0.32 H new ATOM 0 HB3 TYR A 14 12.067 -2.682 -6.429 1.00 0.32 H new ATOM 0 HD1 TYR A 14 13.178 -1.856 -4.358 1.00 1.28 H new ATOM 0 HD2 TYR A 14 9.044 -2.896 -4.361 1.00 1.30 H new ATOM 0 HE1 TYR A 14 13.184 -1.881 -1.904 1.00 1.39 H new ATOM 0 HE2 TYR A 14 9.056 -2.940 -1.905 1.00 1.36 H new ATOM 0 HH TYR A 14 10.487 -3.084 -0.057 1.00 0.98 H new ATOM 218 N ASP A 15 13.186 -0.290 -6.601 1.00 0.25 N ATOM 219 CA ASP A 15 14.336 0.531 -6.229 1.00 0.26 C ATOM 220 C ASP A 15 14.182 1.946 -6.754 1.00 0.25 C ATOM 221 O ASP A 15 14.444 2.906 -6.042 1.00 0.26 O ATOM 222 CB ASP A 15 15.645 -0.067 -6.739 1.00 0.33 C ATOM 223 CG ASP A 15 15.955 -1.420 -6.127 1.00 0.50 C ATOM 224 OD1 ASP A 15 15.427 -2.440 -6.623 1.00 1.18 O ATOM 225 OD2 ASP A 15 16.729 -1.473 -5.151 1.00 1.30 O ATOM 0 H ASP A 15 13.410 -1.096 -7.185 1.00 0.25 H new ATOM 0 HA ASP A 15 14.372 0.555 -5.140 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.594 -0.167 -7.823 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.462 0.621 -6.520 1.00 0.33 H new ATOM 230 N ASP A 16 13.730 2.072 -7.995 1.00 0.25 N ATOM 231 CA ASP A 16 13.546 3.383 -8.607 1.00 0.26 C ATOM 232 C ASP A 16 12.587 4.232 -7.779 1.00 0.25 C ATOM 233 O ASP A 16 12.789 5.432 -7.615 1.00 0.29 O ATOM 234 CB ASP A 16 13.019 3.237 -10.028 1.00 0.29 C ATOM 235 CG ASP A 16 14.065 3.568 -11.074 1.00 0.72 C ATOM 236 OD1 ASP A 16 14.482 4.742 -11.159 1.00 1.46 O ATOM 237 OD2 ASP A 16 14.482 2.651 -11.812 1.00 1.20 O ATOM 0 H ASP A 16 13.485 1.286 -8.596 1.00 0.25 H new ATOM 0 HA ASP A 16 14.514 3.883 -8.640 1.00 0.26 H new ATOM 0 HB2 ASP A 16 12.670 2.216 -10.179 1.00 0.29 H new ATOM 0 HB3 ASP A 16 12.157 3.891 -10.161 1.00 0.29 H new ATOM 242 N PHE A 17 11.550 3.592 -7.249 1.00 0.21 N ATOM 243 CA PHE A 17 10.561 4.270 -6.430 1.00 0.21 C ATOM 244 C PHE A 17 11.149 4.697 -5.095 1.00 0.20 C ATOM 245 O PHE A 17 11.116 5.874 -4.738 1.00 0.23 O ATOM 246 CB PHE A 17 9.365 3.353 -6.185 1.00 0.21 C ATOM 247 CG PHE A 17 8.294 3.955 -5.324 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.529 5.012 -5.785 1.00 1.17 C ATOM 249 CD2 PHE A 17 8.043 3.457 -4.057 1.00 1.22 C ATOM 250 CE1 PHE A 17 6.536 5.562 -5.000 1.00 1.19 C ATOM 251 CE2 PHE A 17 7.050 4.001 -3.269 1.00 1.24 C ATOM 252 CZ PHE A 17 6.295 5.054 -3.741 1.00 0.38 C ATOM 0 H PHE A 17 11.375 2.595 -7.376 1.00 0.21 H new ATOM 0 HA PHE A 17 10.238 5.161 -6.968 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.931 3.077 -7.146 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.717 2.433 -5.718 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.711 5.412 -6.772 1.00 1.17 H new ATOM 0 HD2 PHE A 17 8.631 2.633 -3.681 1.00 1.22 H new ATOM 0 HE1 PHE A 17 5.949 6.389 -5.371 1.00 1.19 H new ATOM 0 HE2 PHE A 17 6.864 3.602 -2.283 1.00 1.24 H new ATOM 0 HZ PHE A 17 5.516 5.480 -3.126 1.00 0.38 H new ATOM 262 N VAL A 18 11.697 3.731 -4.371 1.00 0.19 N ATOM 263 CA VAL A 18 12.277 3.986 -3.062 1.00 0.21 C ATOM 264 C VAL A 18 13.424 4.995 -3.136 1.00 0.23 C ATOM 265 O VAL A 18 13.590 5.826 -2.241 1.00 0.26 O ATOM 266 CB VAL A 18 12.751 2.676 -2.402 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.567 1.756 -2.141 1.00 0.25 C ATOM 268 CG2 VAL A 18 13.795 1.972 -3.250 1.00 0.23 C ATOM 0 H VAL A 18 11.752 2.758 -4.672 1.00 0.19 H new ATOM 0 HA VAL A 18 11.493 4.421 -2.442 1.00 0.21 H new ATOM 0 HB VAL A 18 13.216 2.931 -1.450 1.00 0.23 H new ATOM 0 HG11 VAL A 18 11.918 0.835 -1.675 1.00 0.25 H new ATOM 0 HG12 VAL A 18 10.860 2.253 -1.477 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.074 1.520 -3.084 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.107 1.053 -2.754 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.371 1.733 -4.225 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.658 2.624 -3.380 1.00 0.23 H new ATOM 278 N LYS A 19 14.205 4.939 -4.209 1.00 0.24 N ATOM 279 CA LYS A 19 15.313 5.868 -4.384 1.00 0.29 C ATOM 280 C LYS A 19 14.787 7.264 -4.719 1.00 0.30 C ATOM 281 O LYS A 19 15.399 8.273 -4.367 1.00 0.34 O ATOM 282 CB LYS A 19 16.258 5.374 -5.484 1.00 0.33 C ATOM 283 CG LYS A 19 17.014 4.118 -5.095 1.00 0.41 C ATOM 284 CD LYS A 19 18.135 4.401 -4.112 1.00 0.54 C ATOM 285 CE LYS A 19 18.314 3.233 -3.157 1.00 0.87 C ATOM 286 NZ LYS A 19 19.699 3.152 -2.629 1.00 1.18 N ATOM 0 H LYS A 19 14.092 4.264 -4.966 1.00 0.24 H new ATOM 0 HA LYS A 19 15.871 5.922 -3.449 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.683 5.180 -6.389 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.972 6.162 -5.723 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.321 3.401 -4.655 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.428 3.654 -5.990 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.064 4.581 -4.653 1.00 0.54 H new ATOM 0 HD3 LYS A 19 17.913 5.308 -3.549 1.00 0.54 H new ATOM 0 HE2 LYS A 19 17.615 3.334 -2.327 1.00 0.87 H new ATOM 0 HE3 LYS A 19 18.067 2.304 -3.671 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 19.777 2.342 -1.982 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.365 3.030 -3.418 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 19.927 4.028 -2.116 1.00 1.18 H new ATOM 300 N LYS A 20 13.636 7.309 -5.386 1.00 0.29 N ATOM 301 CA LYS A 20 13.015 8.569 -5.782 1.00 0.32 C ATOM 302 C LYS A 20 12.352 9.263 -4.592 1.00 0.31 C ATOM 303 O LYS A 20 12.502 10.470 -4.405 1.00 0.36 O ATOM 304 CB LYS A 20 11.969 8.320 -6.869 1.00 0.35 C ATOM 305 CG LYS A 20 11.519 9.576 -7.592 1.00 0.58 C ATOM 306 CD LYS A 20 12.429 9.902 -8.759 1.00 0.73 C ATOM 307 CE LYS A 20 11.860 11.025 -9.606 1.00 0.71 C ATOM 308 NZ LYS A 20 12.800 11.435 -10.678 1.00 0.88 N ATOM 0 H LYS A 20 13.112 6.480 -5.665 1.00 0.29 H new ATOM 0 HA LYS A 20 13.801 9.219 -6.167 1.00 0.32 H new ATOM 0 HB2 LYS A 20 12.377 7.620 -7.598 1.00 0.35 H new ATOM 0 HB3 LYS A 20 11.099 7.841 -6.419 1.00 0.35 H new ATOM 0 HG2 LYS A 20 10.498 9.444 -7.951 1.00 0.58 H new ATOM 0 HG3 LYS A 20 11.506 10.414 -6.895 1.00 0.58 H new ATOM 0 HD2 LYS A 20 13.413 10.187 -8.387 1.00 0.73 H new ATOM 0 HD3 LYS A 20 12.567 9.013 -9.375 1.00 0.73 H new ATOM 0 HE2 LYS A 20 10.918 10.704 -10.051 1.00 0.71 H new ATOM 0 HE3 LYS A 20 11.636 11.882 -8.971 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 12.377 12.204 -11.236 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 13.689 11.765 -10.252 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 12.994 10.623 -11.299 1.00 0.88 H new ATOM 322 N ILE A 21 11.614 8.504 -3.790 1.00 0.28 N ATOM 323 CA ILE A 21 10.924 9.070 -2.631 1.00 0.30 C ATOM 324 C ILE A 21 11.900 9.392 -1.499 1.00 0.32 C ATOM 325 O ILE A 21 11.549 10.081 -0.537 1.00 0.39 O ATOM 326 CB ILE A 21 9.805 8.139 -2.111 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.365 6.755 -1.773 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.689 8.039 -3.145 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.421 5.895 -0.963 1.00 0.30 C ATOM 0 H ILE A 21 11.477 7.501 -3.917 1.00 0.28 H new ATOM 0 HA ILE A 21 10.464 9.998 -2.970 1.00 0.30 H new ATOM 0 HB ILE A 21 9.392 8.563 -1.195 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.609 6.236 -2.700 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.297 6.876 -1.220 1.00 0.24 H new ATOM 0 HG21 ILE A 21 7.904 7.381 -2.771 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.274 9.030 -3.330 1.00 0.31 H new ATOM 0 HG23 ILE A 21 9.089 7.634 -4.074 1.00 0.31 H new ATOM 0 HD11 ILE A 21 9.888 4.931 -0.763 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.196 6.392 -0.019 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.498 5.742 -1.522 1.00 0.30 H new ATOM 341 N GLY A 22 13.126 8.905 -1.619 1.00 0.31 N ATOM 342 CA GLY A 22 14.130 9.171 -0.609 1.00 0.36 C ATOM 343 C GLY A 22 14.037 8.238 0.576 1.00 0.34 C ATOM 344 O GLY A 22 14.376 8.616 1.699 1.00 0.39 O ATOM 0 H GLY A 22 13.444 8.330 -2.399 1.00 0.31 H new ATOM 0 HA2 GLY A 22 15.120 9.083 -1.057 1.00 0.36 H new ATOM 0 HA3 GLY A 22 14.026 10.200 -0.264 1.00 0.36 H new ATOM 348 N LEU A 23 13.565 7.026 0.332 1.00 0.28 N ATOM 349 CA LEU A 23 13.446 6.035 1.383 1.00 0.27 C ATOM 350 C LEU A 23 14.843 5.615 1.837 1.00 0.28 C ATOM 351 O LEU A 23 15.722 5.388 1.005 1.00 0.28 O ATOM 352 CB LEU A 23 12.665 4.817 0.872 1.00 0.24 C ATOM 353 CG LEU A 23 12.151 3.851 1.947 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.152 4.539 2.863 1.00 0.31 C ATOM 355 CD2 LEU A 23 11.512 2.632 1.290 1.00 0.25 C ATOM 0 H LEU A 23 13.258 6.707 -0.587 1.00 0.28 H new ATOM 0 HA LEU A 23 12.905 6.462 2.227 1.00 0.27 H new ATOM 0 HB2 LEU A 23 11.813 5.173 0.294 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.305 4.261 0.187 1.00 0.24 H new ATOM 0 HG LEU A 23 12.998 3.527 2.552 1.00 0.26 H new ATOM 0 HD11 LEU A 23 10.803 3.833 3.616 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.632 5.386 3.354 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.304 4.893 2.276 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.150 1.951 2.061 1.00 0.25 H new ATOM 0 HD22 LEU A 23 10.677 2.951 0.666 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.252 2.121 0.673 1.00 0.25 H new ATOM 367 N PRO A 24 15.089 5.559 3.150 1.00 0.30 N ATOM 368 CA PRO A 24 16.391 5.147 3.683 1.00 0.32 C ATOM 369 C PRO A 24 16.690 3.687 3.358 1.00 0.30 C ATOM 370 O PRO A 24 15.815 2.826 3.487 1.00 0.28 O ATOM 371 CB PRO A 24 16.242 5.336 5.193 1.00 0.37 C ATOM 372 CG PRO A 24 14.783 5.325 5.441 1.00 0.36 C ATOM 373 CD PRO A 24 14.143 5.913 4.219 1.00 0.33 C ATOM 0 HA PRO A 24 17.213 5.722 3.256 1.00 0.32 H new ATOM 0 HB2 PRO A 24 16.741 4.537 5.741 1.00 0.37 H new ATOM 0 HB3 PRO A 24 16.690 6.275 5.519 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.426 4.310 5.616 1.00 0.36 H new ATOM 0 HG3 PRO A 24 14.535 5.908 6.328 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.154 5.492 4.039 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.019 6.992 4.308 1.00 0.33 H new ATOM 381 N ALA A 25 17.930 3.418 2.963 1.00 0.32 N ATOM 382 CA ALA A 25 18.363 2.067 2.600 1.00 0.34 C ATOM 383 C ALA A 25 18.080 1.081 3.720 1.00 0.35 C ATOM 384 O ALA A 25 17.727 -0.074 3.479 1.00 0.36 O ATOM 385 CB ALA A 25 19.845 2.059 2.276 1.00 0.39 C ATOM 0 H ALA A 25 18.662 4.124 2.885 1.00 0.32 H new ATOM 0 HA ALA A 25 17.798 1.761 1.719 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.153 1.048 2.008 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.038 2.731 1.440 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.410 2.392 3.147 1.00 0.39 H new ATOM 391 N ASP A 26 18.227 1.566 4.944 1.00 0.37 N ATOM 392 CA ASP A 26 18.002 0.761 6.134 1.00 0.40 C ATOM 393 C ASP A 26 16.591 0.176 6.143 1.00 0.38 C ATOM 394 O ASP A 26 16.383 -0.958 6.564 1.00 0.42 O ATOM 395 CB ASP A 26 18.225 1.617 7.388 1.00 0.46 C ATOM 396 CG ASP A 26 18.010 0.858 8.687 1.00 1.27 C ATOM 397 OD1 ASP A 26 18.852 -0.003 9.028 1.00 2.03 O ATOM 398 OD2 ASP A 26 17.009 1.140 9.384 1.00 2.03 O ATOM 0 H ASP A 26 18.505 2.528 5.139 1.00 0.37 H new ATOM 0 HA ASP A 26 18.711 -0.067 6.129 1.00 0.40 H new ATOM 0 HB2 ASP A 26 19.240 2.013 7.372 1.00 0.46 H new ATOM 0 HB3 ASP A 26 17.549 2.472 7.360 1.00 0.46 H new ATOM 403 N LYS A 27 15.622 0.962 5.678 1.00 0.35 N ATOM 404 CA LYS A 27 14.233 0.520 5.645 1.00 0.36 C ATOM 405 C LYS A 27 13.903 -0.160 4.322 1.00 0.32 C ATOM 406 O LYS A 27 13.077 -1.071 4.271 1.00 0.33 O ATOM 407 CB LYS A 27 13.285 1.696 5.873 1.00 0.39 C ATOM 408 CG LYS A 27 13.649 2.561 7.072 1.00 0.41 C ATOM 409 CD LYS A 27 13.612 1.772 8.368 1.00 0.48 C ATOM 410 CE LYS A 27 13.994 2.642 9.555 1.00 0.72 C ATOM 411 NZ LYS A 27 14.646 1.867 10.637 1.00 0.94 N ATOM 0 H LYS A 27 15.774 1.905 5.320 1.00 0.35 H new ATOM 0 HA LYS A 27 14.100 -0.204 6.449 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.274 2.319 4.979 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.273 1.313 6.008 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.645 2.979 6.929 1.00 0.41 H new ATOM 0 HG3 LYS A 27 12.957 3.401 7.138 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.613 1.364 8.520 1.00 0.48 H new ATOM 0 HD3 LYS A 27 14.295 0.925 8.300 1.00 0.48 H new ATOM 0 HE2 LYS A 27 14.667 3.432 9.221 1.00 0.72 H new ATOM 0 HE3 LYS A 27 13.101 3.129 9.948 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 14.795 2.481 11.463 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 14.038 1.067 10.906 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 15.563 1.508 10.303 1.00 0.94 H new ATOM 425 N ILE A 28 14.542 0.308 3.256 1.00 0.30 N ATOM 426 CA ILE A 28 14.315 -0.233 1.921 1.00 0.29 C ATOM 427 C ILE A 28 14.599 -1.732 1.876 1.00 0.34 C ATOM 428 O ILE A 28 13.711 -2.534 1.584 1.00 0.37 O ATOM 429 CB ILE A 28 15.205 0.450 0.854 1.00 0.29 C ATOM 430 CG1 ILE A 28 14.852 1.925 0.681 1.00 0.25 C ATOM 431 CG2 ILE A 28 15.070 -0.271 -0.476 1.00 0.35 C ATOM 432 CD1 ILE A 28 15.789 2.650 -0.262 1.00 0.26 C ATOM 0 H ILE A 28 15.225 1.065 3.291 1.00 0.30 H new ATOM 0 HA ILE A 28 13.266 -0.039 1.696 1.00 0.29 H new ATOM 0 HB ILE A 28 16.237 0.392 1.200 1.00 0.29 H new ATOM 0 HG12 ILE A 28 13.832 2.007 0.306 1.00 0.25 H new ATOM 0 HG13 ILE A 28 14.874 2.415 1.654 1.00 0.25 H new ATOM 0 HG21 ILE A 28 15.700 0.217 -1.220 1.00 0.35 H new ATOM 0 HG22 ILE A 28 15.382 -1.309 -0.361 1.00 0.35 H new ATOM 0 HG23 ILE A 28 14.031 -0.239 -0.803 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.487 3.694 -0.344 1.00 0.26 H new ATOM 0 HD12 ILE A 28 16.807 2.596 0.124 1.00 0.26 H new ATOM 0 HD13 ILE A 28 15.749 2.182 -1.246 1.00 0.26 H new ATOM 444 N GLU A 29 15.837 -2.096 2.183 1.00 0.37 N ATOM 445 CA GLU A 29 16.267 -3.488 2.164 1.00 0.44 C ATOM 446 C GLU A 29 15.542 -4.289 3.238 1.00 0.43 C ATOM 447 O GLU A 29 15.423 -5.513 3.153 1.00 0.47 O ATOM 448 CB GLU A 29 17.782 -3.570 2.362 1.00 0.52 C ATOM 449 CG GLU A 29 18.565 -2.706 1.385 1.00 0.55 C ATOM 450 CD GLU A 29 18.319 -3.096 -0.056 1.00 0.94 C ATOM 451 OE1 GLU A 29 18.923 -4.084 -0.516 1.00 1.41 O ATOM 452 OE2 GLU A 29 17.521 -2.416 -0.733 1.00 1.73 O ATOM 0 H GLU A 29 16.569 -1.438 2.451 1.00 0.37 H new ATOM 0 HA GLU A 29 16.016 -3.918 1.194 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.025 -3.266 3.380 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.100 -4.607 2.254 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.290 -1.661 1.528 1.00 0.55 H new ATOM 0 HG3 GLU A 29 19.630 -2.788 1.604 1.00 0.55 H new ATOM 459 N MET A 30 15.063 -3.582 4.243 1.00 0.41 N ATOM 460 CA MET A 30 14.336 -4.175 5.342 1.00 0.43 C ATOM 461 C MET A 30 12.955 -4.628 4.872 1.00 0.40 C ATOM 462 O MET A 30 12.463 -5.679 5.275 1.00 0.41 O ATOM 463 CB MET A 30 14.214 -3.140 6.465 1.00 0.45 C ATOM 464 CG MET A 30 13.717 -3.684 7.787 1.00 0.46 C ATOM 465 SD MET A 30 14.640 -5.119 8.351 1.00 0.63 S ATOM 466 CE MET A 30 13.362 -6.359 8.207 1.00 0.97 C ATOM 0 H MET A 30 15.170 -2.570 4.318 1.00 0.41 H new ATOM 0 HA MET A 30 14.869 -5.050 5.714 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.190 -2.681 6.622 1.00 0.45 H new ATOM 0 HB3 MET A 30 13.539 -2.349 6.138 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.779 -2.900 8.542 1.00 0.46 H new ATOM 0 HG3 MET A 30 12.665 -3.951 7.690 1.00 0.46 H new ATOM 0 HE1 MET A 30 13.773 -7.252 7.735 1.00 0.97 H new ATOM 0 HE2 MET A 30 12.987 -6.612 9.199 1.00 0.97 H new ATOM 0 HE3 MET A 30 12.545 -5.971 7.599 1.00 0.97 H new ATOM 476 N GLY A 31 12.354 -3.841 3.985 1.00 0.39 N ATOM 477 CA GLY A 31 11.030 -4.163 3.492 1.00 0.39 C ATOM 478 C GLY A 31 10.997 -4.577 2.030 1.00 0.43 C ATOM 479 O GLY A 31 9.961 -4.447 1.382 1.00 0.51 O ATOM 0 H GLY A 31 12.760 -2.988 3.600 1.00 0.39 H new ATOM 0 HA2 GLY A 31 10.615 -4.969 4.097 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.382 -3.297 3.628 1.00 0.39 H new ATOM 483 N ARG A 32 12.100 -5.095 1.514 1.00 0.43 N ATOM 484 CA ARG A 32 12.146 -5.501 0.112 1.00 0.50 C ATOM 485 C ARG A 32 12.093 -7.018 -0.018 1.00 0.44 C ATOM 486 O ARG A 32 12.755 -7.744 0.728 1.00 0.49 O ATOM 487 CB ARG A 32 13.388 -4.937 -0.593 1.00 0.60 C ATOM 488 CG ARG A 32 14.670 -5.709 -0.335 1.00 0.78 C ATOM 489 CD ARG A 32 15.813 -5.180 -1.187 1.00 0.71 C ATOM 490 NE ARG A 32 15.505 -5.256 -2.616 1.00 1.31 N ATOM 491 CZ ARG A 32 15.758 -4.281 -3.492 1.00 1.49 C ATOM 492 NH1 ARG A 32 16.413 -3.185 -3.117 1.00 1.65 N ATOM 493 NH2 ARG A 32 15.383 -4.420 -4.758 1.00 2.27 N ATOM 0 H ARG A 32 12.965 -5.244 2.033 1.00 0.43 H new ATOM 0 HA ARG A 32 11.266 -5.086 -0.380 1.00 0.50 H new ATOM 0 HB2 ARG A 32 13.202 -4.917 -1.667 1.00 0.60 H new ATOM 0 HB3 ARG A 32 13.532 -3.904 -0.275 1.00 0.60 H new ATOM 0 HG2 ARG A 32 14.935 -5.636 0.720 1.00 0.78 H new ATOM 0 HG3 ARG A 32 14.511 -6.765 -0.551 1.00 0.78 H new ATOM 0 HD2 ARG A 32 16.021 -4.145 -0.914 1.00 0.71 H new ATOM 0 HD3 ARG A 32 16.717 -5.752 -0.979 1.00 0.71 H new ATOM 0 HE ARG A 32 15.069 -6.109 -2.965 1.00 1.31 H new ATOM 0 HH11 ARG A 32 16.727 -3.084 -2.152 1.00 1.65 H new ATOM 0 HH12 ARG A 32 16.601 -2.446 -3.795 1.00 1.65 H new ATOM 0 HH21 ARG A 32 14.904 -5.269 -5.058 1.00 2.27 H new ATOM 0 HH22 ARG A 32 15.574 -3.678 -5.431 1.00 2.27 H new ATOM 507 N ASN A 33 11.274 -7.481 -0.965 1.00 0.53 N ATOM 508 CA ASN A 33 11.093 -8.909 -1.228 1.00 0.67 C ATOM 509 C ASN A 33 10.620 -9.631 0.032 1.00 0.59 C ATOM 510 O ASN A 33 10.804 -10.839 0.188 1.00 0.69 O ATOM 511 CB ASN A 33 12.394 -9.526 -1.756 1.00 0.80 C ATOM 512 CG ASN A 33 12.150 -10.475 -2.915 1.00 1.23 C ATOM 513 OD1 ASN A 33 12.068 -11.688 -2.736 1.00 1.72 O ATOM 514 ND2 ASN A 33 12.032 -9.921 -4.112 1.00 1.78 N ATOM 0 H ASN A 33 10.718 -6.877 -1.570 1.00 0.53 H new ATOM 0 HA ASN A 33 10.326 -9.026 -1.993 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.068 -8.731 -2.075 1.00 0.80 H new ATOM 0 HB3 ASN A 33 12.894 -10.062 -0.949 1.00 0.80 H new ATOM 0 HD21 ASN A 33 11.866 -10.506 -4.931 1.00 1.78 H new ATOM 0 HD22 ASN A 33 12.107 -8.909 -4.215 1.00 1.78 H new ATOM 521 N CYS A 34 9.999 -8.873 0.925 1.00 0.47 N ATOM 522 CA CYS A 34 9.493 -9.411 2.174 1.00 0.41 C ATOM 523 C CYS A 34 8.046 -9.856 2.011 1.00 0.41 C ATOM 524 O CYS A 34 7.303 -9.297 1.201 1.00 0.48 O ATOM 525 CB CYS A 34 9.628 -8.358 3.280 1.00 0.38 C ATOM 526 SG CYS A 34 11.343 -7.964 3.704 1.00 1.16 S ATOM 0 H CYS A 34 9.834 -7.874 0.803 1.00 0.47 H new ATOM 0 HA CYS A 34 10.080 -10.285 2.455 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.122 -7.445 2.964 1.00 0.38 H new ATOM 0 HB3 CYS A 34 9.115 -8.714 4.173 1.00 0.38 H new ATOM 0 HG CYS A 34 11.369 -6.930 4.491 1.00 1.16 H new ATOM 532 N LYS A 35 7.656 -10.874 2.766 1.00 0.39 N ATOM 533 CA LYS A 35 6.301 -11.404 2.697 1.00 0.42 C ATOM 534 C LYS A 35 5.315 -10.517 3.446 1.00 0.38 C ATOM 535 O LYS A 35 4.909 -10.820 4.569 1.00 0.40 O ATOM 536 CB LYS A 35 6.243 -12.841 3.230 1.00 0.47 C ATOM 537 CG LYS A 35 7.173 -13.120 4.404 1.00 0.48 C ATOM 538 CD LYS A 35 8.352 -13.982 3.987 1.00 1.13 C ATOM 539 CE LYS A 35 9.288 -14.245 5.150 1.00 1.64 C ATOM 540 NZ LYS A 35 10.361 -15.206 4.782 1.00 2.49 N ATOM 0 H LYS A 35 8.261 -11.350 3.435 1.00 0.39 H new ATOM 0 HA LYS A 35 6.011 -11.415 1.646 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.220 -13.061 3.534 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.488 -13.526 2.418 1.00 0.47 H new ATOM 0 HG2 LYS A 35 7.537 -12.178 4.813 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.618 -13.620 5.198 1.00 0.48 H new ATOM 0 HD2 LYS A 35 7.988 -14.930 3.590 1.00 1.13 H new ATOM 0 HD3 LYS A 35 8.899 -13.488 3.183 1.00 1.13 H new ATOM 0 HE2 LYS A 35 9.736 -13.307 5.477 1.00 1.64 H new ATOM 0 HE3 LYS A 35 8.720 -14.638 5.993 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 10.983 -15.363 5.601 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 9.934 -16.109 4.494 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 10.918 -14.819 3.994 1.00 2.49 H new ATOM 554 N ILE A 36 4.956 -9.405 2.828 1.00 0.36 N ATOM 555 CA ILE A 36 4.000 -8.484 3.418 1.00 0.34 C ATOM 556 C ILE A 36 2.592 -8.997 3.192 1.00 0.33 C ATOM 557 O ILE A 36 2.147 -9.126 2.049 1.00 0.41 O ATOM 558 CB ILE A 36 4.104 -7.064 2.823 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.554 -6.591 2.814 1.00 0.65 C ATOM 560 CG2 ILE A 36 3.229 -6.091 3.611 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.214 -6.625 4.170 1.00 0.66 C ATOM 0 H ILE A 36 5.313 -9.118 1.917 1.00 0.36 H new ATOM 0 HA ILE A 36 4.230 -8.425 4.482 1.00 0.34 H new ATOM 0 HB ILE A 36 3.747 -7.095 1.794 1.00 0.41 H new ATOM 0 HG12 ILE A 36 6.125 -7.214 2.126 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.592 -5.573 2.427 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.313 -5.094 3.179 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.190 -6.419 3.567 1.00 0.32 H new ATOM 0 HG23 ILE A 36 3.558 -6.065 4.650 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.243 -6.275 4.083 1.00 0.66 H new ATOM 0 HD12 ILE A 36 5.668 -5.979 4.857 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.210 -7.646 4.551 1.00 0.66 H new ATOM 573 N VAL A 37 1.904 -9.292 4.273 1.00 0.29 N ATOM 574 CA VAL A 37 0.543 -9.795 4.186 1.00 0.29 C ATOM 575 C VAL A 37 -0.440 -8.656 4.394 1.00 0.30 C ATOM 576 O VAL A 37 -0.389 -7.960 5.405 1.00 0.37 O ATOM 577 CB VAL A 37 0.249 -10.907 5.216 1.00 0.29 C ATOM 578 CG1 VAL A 37 -1.063 -11.611 4.883 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.401 -11.904 5.283 1.00 0.32 C ATOM 0 H VAL A 37 2.261 -9.194 5.224 1.00 0.29 H new ATOM 0 HA VAL A 37 0.429 -10.227 3.192 1.00 0.29 H new ATOM 0 HB VAL A 37 0.149 -10.446 6.199 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.254 -12.392 5.619 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.879 -10.888 4.901 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -0.995 -12.057 3.891 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.170 -12.678 6.015 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.543 -12.362 4.304 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.314 -11.386 5.577 1.00 0.32 H new ATOM 589 N THR A 38 -1.311 -8.452 3.420 1.00 0.25 N ATOM 590 CA THR A 38 -2.312 -7.402 3.503 1.00 0.26 C ATOM 591 C THR A 38 -3.697 -8.004 3.692 1.00 0.24 C ATOM 592 O THR A 38 -4.265 -8.571 2.761 1.00 0.23 O ATOM 593 CB THR A 38 -2.299 -6.514 2.242 1.00 0.27 C ATOM 594 OG1 THR A 38 -0.974 -6.009 2.025 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.275 -5.354 2.377 1.00 0.30 C ATOM 0 H THR A 38 -1.345 -9.001 2.561 1.00 0.25 H new ATOM 0 HA THR A 38 -2.068 -6.780 4.364 1.00 0.26 H new ATOM 0 HB THR A 38 -2.608 -7.121 1.391 1.00 0.27 H new ATOM 0 HG1 THR A 38 -0.966 -5.446 1.223 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.244 -4.745 1.473 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.284 -5.742 2.519 1.00 0.30 H new ATOM 0 HG23 THR A 38 -2.997 -4.743 3.236 1.00 0.30 H new ATOM 603 N GLU A 39 -4.230 -7.896 4.900 1.00 0.25 N ATOM 604 CA GLU A 39 -5.549 -8.433 5.195 1.00 0.25 C ATOM 605 C GLU A 39 -6.604 -7.346 5.073 1.00 0.24 C ATOM 606 O GLU A 39 -6.552 -6.343 5.787 1.00 0.28 O ATOM 607 CB GLU A 39 -5.593 -9.044 6.595 1.00 0.28 C ATOM 608 CG GLU A 39 -4.943 -10.412 6.683 1.00 0.38 C ATOM 609 CD GLU A 39 -5.116 -11.040 8.046 1.00 0.66 C ATOM 610 OE1 GLU A 39 -4.406 -10.630 8.985 1.00 1.39 O ATOM 611 OE2 GLU A 39 -5.961 -11.945 8.186 1.00 1.24 O ATOM 0 H GLU A 39 -3.770 -7.443 5.690 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.760 -9.218 4.469 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.096 -8.370 7.292 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.632 -9.124 6.915 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -5.375 -11.067 5.926 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.880 -10.322 6.459 1.00 0.38 H new ATOM 618 N VAL A 40 -7.535 -7.548 4.152 1.00 0.20 N ATOM 619 CA VAL A 40 -8.610 -6.599 3.917 1.00 0.20 C ATOM 620 C VAL A 40 -9.943 -7.137 4.424 1.00 0.21 C ATOM 621 O VAL A 40 -10.359 -8.235 4.046 1.00 0.20 O ATOM 622 CB VAL A 40 -8.755 -6.281 2.417 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.877 -5.281 2.186 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.442 -5.772 1.846 1.00 0.22 C ATOM 0 H VAL A 40 -7.566 -8.371 3.550 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.350 -5.691 4.461 1.00 0.20 H new ATOM 0 HB VAL A 40 -9.013 -7.202 1.894 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.963 -5.070 1.120 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.816 -5.697 2.550 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.658 -4.358 2.722 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.567 -5.554 0.785 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -7.145 -4.864 2.371 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.671 -6.533 1.971 1.00 0.22 H new ATOM 634 N VAL A 41 -10.603 -6.370 5.276 1.00 0.24 N ATOM 635 CA VAL A 41 -11.896 -6.755 5.813 1.00 0.27 C ATOM 636 C VAL A 41 -12.962 -5.847 5.227 1.00 0.29 C ATOM 637 O VAL A 41 -12.839 -4.625 5.286 1.00 0.31 O ATOM 638 CB VAL A 41 -11.923 -6.662 7.351 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.306 -6.974 7.896 1.00 0.70 C ATOM 640 CG2 VAL A 41 -10.884 -7.593 7.950 1.00 0.95 C ATOM 0 H VAL A 41 -10.260 -5.470 5.612 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.088 -7.793 5.541 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.680 -5.638 7.636 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.294 -6.900 8.983 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -14.025 -6.262 7.492 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.593 -7.984 7.604 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -10.912 -7.519 9.037 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -11.099 -8.619 7.651 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -9.894 -7.311 7.593 1.00 0.95 H new ATOM 650 N GLN A 42 -13.993 -6.439 4.645 1.00 0.31 N ATOM 651 CA GLN A 42 -15.064 -5.669 4.031 1.00 0.36 C ATOM 652 C GLN A 42 -16.085 -5.191 5.059 1.00 0.30 C ATOM 653 O GLN A 42 -16.706 -5.992 5.765 1.00 0.42 O ATOM 654 CB GLN A 42 -15.755 -6.491 2.929 1.00 0.53 C ATOM 655 CG GLN A 42 -16.236 -7.866 3.366 1.00 1.14 C ATOM 656 CD GLN A 42 -17.085 -8.547 2.312 1.00 1.35 C ATOM 657 OE1 GLN A 42 -16.566 -9.223 1.424 1.00 2.06 O ATOM 658 NE2 GLN A 42 -18.392 -8.379 2.401 1.00 1.59 N ATOM 0 H GLN A 42 -14.111 -7.450 4.585 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.613 -4.784 3.583 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -16.608 -5.925 2.554 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -15.062 -6.612 2.097 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -15.374 -8.493 3.594 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -16.813 -7.770 4.286 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -18.783 -7.811 3.152 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -19.010 -8.817 1.718 1.00 1.59 H new ATOM 667 N ASN A 43 -16.249 -3.879 5.146 1.00 0.30 N ATOM 668 CA ASN A 43 -17.209 -3.285 6.059 1.00 0.37 C ATOM 669 C ASN A 43 -17.848 -2.088 5.385 1.00 0.34 C ATOM 670 O ASN A 43 -17.457 -0.951 5.600 1.00 0.37 O ATOM 671 CB ASN A 43 -16.562 -2.870 7.391 1.00 0.53 C ATOM 672 CG ASN A 43 -17.225 -3.525 8.583 1.00 0.97 C ATOM 673 OD1 ASN A 43 -18.353 -4.020 8.503 1.00 1.44 O ATOM 674 ND2 ASN A 43 -16.521 -3.512 9.698 1.00 1.73 N ATOM 0 H ASN A 43 -15.725 -3.203 4.590 1.00 0.30 H new ATOM 0 HA ASN A 43 -17.966 -4.032 6.297 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -15.505 -3.134 7.376 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -16.618 -1.787 7.497 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -16.905 -3.924 10.548 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -15.593 -3.090 9.710 1.00 1.73 H new ATOM 681 N GLY A 44 -18.807 -2.380 4.523 1.00 0.35 N ATOM 682 CA GLY A 44 -19.499 -1.331 3.806 1.00 0.37 C ATOM 683 C GLY A 44 -18.567 -0.549 2.897 1.00 0.34 C ATOM 684 O GLY A 44 -18.211 -1.002 1.807 1.00 0.40 O ATOM 0 H GLY A 44 -19.120 -3.326 4.306 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.302 -1.767 3.212 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -19.964 -0.651 4.520 1.00 0.37 H new ATOM 688 N ASN A 45 -18.164 0.632 3.349 1.00 0.31 N ATOM 689 CA ASN A 45 -17.262 1.459 2.570 1.00 0.29 C ATOM 690 C ASN A 45 -15.884 1.542 3.215 1.00 0.28 C ATOM 691 O ASN A 45 -14.913 1.927 2.565 1.00 0.29 O ATOM 692 CB ASN A 45 -17.828 2.867 2.385 1.00 0.32 C ATOM 693 CG ASN A 45 -18.540 3.041 1.054 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.541 4.126 0.474 1.00 0.41 O ATOM 695 ND2 ASN A 45 -19.155 1.972 0.561 1.00 0.43 N ATOM 0 H ASN A 45 -18.446 1.033 4.243 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.160 0.987 1.593 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -18.523 3.084 3.196 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.018 3.593 2.457 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -19.651 2.034 -0.328 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -19.132 1.089 1.072 1.00 0.43 H new ATOM 702 N ASP A 46 -15.797 1.201 4.495 1.00 0.30 N ATOM 703 CA ASP A 46 -14.568 1.236 5.208 1.00 0.29 C ATOM 704 C ASP A 46 -13.794 -0.061 5.062 1.00 0.28 C ATOM 705 O ASP A 46 -14.190 -1.109 5.571 1.00 0.36 O ATOM 706 CB ASP A 46 -14.853 1.526 6.676 1.00 0.33 C ATOM 707 CG ASP A 46 -16.199 1.027 7.185 1.00 0.61 C ATOM 708 OD1 ASP A 46 -17.248 1.488 6.674 1.00 1.36 O ATOM 709 OD2 ASP A 46 -16.219 0.210 8.126 1.00 1.29 O ATOM 0 H ASP A 46 -16.594 0.893 5.053 1.00 0.30 H new ATOM 0 HA ASP A 46 -13.946 2.027 4.788 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -14.065 1.075 7.279 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -14.799 2.603 6.834 1.00 0.33 H new ATOM 714 N PHE A 47 -12.686 0.025 4.350 1.00 0.23 N ATOM 715 CA PHE A 47 -11.818 -1.115 4.152 1.00 0.23 C ATOM 716 C PHE A 47 -10.621 -1.008 5.082 1.00 0.23 C ATOM 717 O PHE A 47 -10.014 0.060 5.213 1.00 0.24 O ATOM 718 CB PHE A 47 -11.348 -1.197 2.697 1.00 0.25 C ATOM 719 CG PHE A 47 -12.455 -1.498 1.730 1.00 0.26 C ATOM 720 CD1 PHE A 47 -12.776 -2.809 1.418 1.00 0.97 C ATOM 721 CD2 PHE A 47 -13.176 -0.473 1.140 1.00 0.81 C ATOM 722 CE1 PHE A 47 -13.795 -3.091 0.530 1.00 1.00 C ATOM 723 CE2 PHE A 47 -14.195 -0.751 0.256 1.00 0.82 C ATOM 724 CZ PHE A 47 -14.505 -2.061 -0.050 1.00 0.34 C ATOM 0 H PHE A 47 -12.366 0.881 3.897 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.376 -2.023 4.379 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -10.880 -0.252 2.420 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.582 -1.968 2.613 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -12.224 -3.618 1.874 1.00 0.97 H new ATOM 0 HD2 PHE A 47 -12.937 0.554 1.375 1.00 0.81 H new ATOM 0 HE1 PHE A 47 -14.035 -4.116 0.290 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -14.751 0.056 -0.198 1.00 0.82 H new ATOM 0 HZ PHE A 47 -15.304 -2.279 -0.744 1.00 0.34 H new ATOM 734 N THR A 48 -10.304 -2.096 5.754 1.00 0.26 N ATOM 735 CA THR A 48 -9.182 -2.111 6.666 1.00 0.27 C ATOM 736 C THR A 48 -7.947 -2.703 6.004 1.00 0.28 C ATOM 737 O THR A 48 -7.954 -3.852 5.564 1.00 0.38 O ATOM 738 CB THR A 48 -9.511 -2.898 7.941 1.00 0.29 C ATOM 739 OG1 THR A 48 -10.509 -3.891 7.658 1.00 0.53 O ATOM 740 CG2 THR A 48 -10.008 -1.966 9.031 1.00 0.56 C ATOM 0 H THR A 48 -10.808 -2.980 5.685 1.00 0.26 H new ATOM 0 HA THR A 48 -8.975 -1.076 6.938 1.00 0.27 H new ATOM 0 HB THR A 48 -8.602 -3.388 8.290 1.00 0.29 H new ATOM 0 HG1 THR A 48 -11.146 -3.936 8.402 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.236 -2.543 9.927 1.00 0.56 H new ATOM 0 HG22 THR A 48 -9.237 -1.230 9.260 1.00 0.56 H new ATOM 0 HG23 THR A 48 -10.908 -1.455 8.690 1.00 0.56 H new ATOM 748 N TRP A 49 -6.895 -1.904 5.921 1.00 0.23 N ATOM 749 CA TRP A 49 -5.648 -2.339 5.317 1.00 0.23 C ATOM 750 C TRP A 49 -4.665 -2.750 6.403 1.00 0.23 C ATOM 751 O TRP A 49 -4.096 -1.904 7.097 1.00 0.24 O ATOM 752 CB TRP A 49 -5.059 -1.219 4.456 1.00 0.25 C ATOM 753 CG TRP A 49 -4.858 -1.609 3.020 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.672 -1.694 2.353 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.876 -1.964 2.076 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.885 -2.089 1.053 1.00 0.38 N ATOM 757 CE2 TRP A 49 -5.231 -2.257 0.858 1.00 0.36 C ATOM 758 CE3 TRP A 49 -7.268 -2.060 2.137 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.932 -2.645 -0.282 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.961 -2.442 1.006 1.00 0.38 C ATOM 761 CH2 TRP A 49 -7.294 -2.730 -0.190 1.00 0.42 C ATOM 0 H TRP A 49 -6.882 -0.945 6.267 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.843 -3.199 4.676 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.719 -0.353 4.500 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.102 -0.912 4.878 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.705 -1.482 2.784 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -3.160 -2.233 0.350 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.794 -1.839 3.054 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -5.418 -2.870 -1.205 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -9.037 -2.520 1.045 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -7.866 -3.025 -1.057 1.00 0.42 H new ATOM 772 N THR A 50 -4.488 -4.050 6.560 1.00 0.22 N ATOM 773 CA THR A 50 -3.582 -4.580 7.564 1.00 0.24 C ATOM 774 C THR A 50 -2.278 -5.048 6.930 1.00 0.25 C ATOM 775 O THR A 50 -2.287 -5.940 6.090 1.00 0.35 O ATOM 776 CB THR A 50 -4.224 -5.765 8.312 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.621 -5.511 8.529 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.522 -6.006 9.642 1.00 0.28 C ATOM 0 H THR A 50 -4.962 -4.761 6.003 1.00 0.22 H new ATOM 0 HA THR A 50 -3.373 -3.775 8.268 1.00 0.24 H new ATOM 0 HB THR A 50 -4.116 -6.660 7.699 1.00 0.26 H new ATOM 0 HG1 THR A 50 -6.127 -5.757 7.727 1.00 0.27 H new ATOM 0 HG21 THR A 50 -3.991 -6.847 10.154 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.471 -6.231 9.463 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.602 -5.113 10.262 1.00 0.28 H new ATOM 786 N GLN A 51 -1.167 -4.429 7.319 1.00 0.22 N ATOM 787 CA GLN A 51 0.142 -4.799 6.794 1.00 0.23 C ATOM 788 C GLN A 51 0.918 -5.610 7.825 1.00 0.22 C ATOM 789 O GLN A 51 1.189 -5.132 8.932 1.00 0.24 O ATOM 790 CB GLN A 51 0.957 -3.558 6.421 1.00 0.27 C ATOM 791 CG GLN A 51 0.703 -3.022 5.020 1.00 0.56 C ATOM 792 CD GLN A 51 -0.695 -2.462 4.848 1.00 0.71 C ATOM 793 OE1 GLN A 51 -0.983 -1.339 5.258 1.00 1.62 O ATOM 794 NE2 GLN A 51 -1.564 -3.237 4.222 1.00 0.82 N ATOM 0 H GLN A 51 -1.148 -3.668 7.997 1.00 0.22 H new ATOM 0 HA GLN A 51 -0.020 -5.400 5.899 1.00 0.23 H new ATOM 0 HB2 GLN A 51 0.740 -2.769 7.141 1.00 0.27 H new ATOM 0 HB3 GLN A 51 2.017 -3.795 6.517 1.00 0.27 H new ATOM 0 HG2 GLN A 51 1.431 -2.242 4.797 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.860 -3.822 4.296 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -1.282 -4.162 3.899 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -2.517 -2.910 4.062 1.00 0.82 H new ATOM 803 N HIS A 52 1.264 -6.834 7.466 1.00 0.22 N ATOM 804 CA HIS A 52 2.025 -7.703 8.351 1.00 0.23 C ATOM 805 C HIS A 52 3.472 -7.760 7.907 1.00 0.23 C ATOM 806 O HIS A 52 3.770 -8.018 6.737 1.00 0.26 O ATOM 807 CB HIS A 52 1.431 -9.114 8.386 1.00 0.24 C ATOM 808 CG HIS A 52 0.047 -9.186 8.959 1.00 0.26 C ATOM 809 ND1 HIS A 52 -0.172 -9.221 10.316 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.145 -9.246 8.320 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.484 -9.307 10.466 1.00 0.37 C ATOM 812 NE2 HIS A 52 -2.116 -9.326 9.284 1.00 0.35 N ATOM 0 H HIS A 52 1.030 -7.251 6.565 1.00 0.22 H new ATOM 0 HA HIS A 52 1.974 -7.288 9.358 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.413 -9.514 7.372 1.00 0.24 H new ATOM 0 HB3 HIS A 52 2.088 -9.758 8.971 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.301 -9.233 7.251 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.984 -9.356 11.422 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -3.123 -9.388 9.132 1.00 0.35 H new ATOM 820 N PHE A 53 4.367 -7.513 8.844 1.00 0.25 N ATOM 821 CA PHE A 53 5.784 -7.524 8.564 1.00 0.27 C ATOM 822 C PHE A 53 6.447 -8.727 9.224 1.00 0.31 C ATOM 823 O PHE A 53 6.325 -8.915 10.440 1.00 0.34 O ATOM 824 CB PHE A 53 6.419 -6.231 9.069 1.00 0.24 C ATOM 825 CG PHE A 53 7.687 -5.869 8.362 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.770 -5.969 6.989 1.00 1.13 C ATOM 827 CD2 PHE A 53 8.793 -5.437 9.070 1.00 1.20 C ATOM 828 CE1 PHE A 53 8.935 -5.644 6.327 1.00 1.13 C ATOM 829 CE2 PHE A 53 9.963 -5.112 8.416 1.00 1.23 C ATOM 830 CZ PHE A 53 10.034 -5.216 7.041 1.00 0.34 C ATOM 0 H PHE A 53 4.132 -7.301 9.813 1.00 0.25 H new ATOM 0 HA PHE A 53 5.930 -7.597 7.486 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.704 -5.416 8.954 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.623 -6.329 10.135 1.00 0.24 H new ATOM 0 HD1 PHE A 53 6.912 -6.306 6.426 1.00 1.13 H new ATOM 0 HD2 PHE A 53 8.740 -5.353 10.145 1.00 1.20 H new ATOM 0 HE1 PHE A 53 8.987 -5.725 5.251 1.00 1.13 H new ATOM 0 HE2 PHE A 53 10.822 -4.777 8.978 1.00 1.23 H new ATOM 0 HZ PHE A 53 10.949 -4.963 6.526 1.00 0.34 H new ATOM 840 N PRO A 54 7.142 -9.561 8.433 1.00 0.35 N ATOM 841 CA PRO A 54 7.824 -10.754 8.946 1.00 0.41 C ATOM 842 C PRO A 54 8.879 -10.402 9.988 1.00 0.39 C ATOM 843 O PRO A 54 9.876 -9.747 9.680 1.00 0.37 O ATOM 844 CB PRO A 54 8.492 -11.356 7.703 1.00 0.46 C ATOM 845 CG PRO A 54 8.514 -10.260 6.696 1.00 0.45 C ATOM 846 CD PRO A 54 7.313 -9.417 6.980 1.00 0.39 C ATOM 0 HA PRO A 54 7.132 -11.434 9.443 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.500 -11.703 7.928 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.934 -12.217 7.335 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.430 -9.674 6.776 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.479 -10.660 5.683 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.473 -8.377 6.694 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.437 -9.767 6.434 1.00 0.39 H new ATOM 854 N GLY A 55 8.648 -10.848 11.216 1.00 0.43 N ATOM 855 CA GLY A 55 9.573 -10.581 12.299 1.00 0.46 C ATOM 856 C GLY A 55 9.734 -9.098 12.583 1.00 0.41 C ATOM 857 O GLY A 55 10.775 -8.670 13.082 1.00 0.43 O ATOM 0 H GLY A 55 7.829 -11.395 11.482 1.00 0.43 H new ATOM 0 HA2 GLY A 55 9.224 -11.083 13.201 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.546 -11.007 12.053 1.00 0.46 H new ATOM 861 N GLY A 56 8.707 -8.313 12.282 1.00 0.37 N ATOM 862 CA GLY A 56 8.796 -6.888 12.510 1.00 0.34 C ATOM 863 C GLY A 56 7.482 -6.258 12.934 1.00 0.35 C ATOM 864 O GLY A 56 6.514 -6.959 13.246 1.00 0.41 O ATOM 0 H GLY A 56 7.823 -8.636 11.888 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.545 -6.697 13.278 1.00 0.34 H new ATOM 0 HA3 GLY A 56 9.144 -6.403 11.598 1.00 0.34 H new ATOM 868 N ARG A 57 7.462 -4.927 12.935 1.00 0.34 N ATOM 869 CA ARG A 57 6.294 -4.151 13.338 1.00 0.38 C ATOM 870 C ARG A 57 5.145 -4.290 12.345 1.00 0.31 C ATOM 871 O ARG A 57 5.356 -4.443 11.147 1.00 0.28 O ATOM 872 CB ARG A 57 6.663 -2.667 13.471 1.00 0.45 C ATOM 873 CG ARG A 57 6.840 -1.958 12.132 1.00 0.43 C ATOM 874 CD ARG A 57 5.785 -0.881 11.922 1.00 0.53 C ATOM 875 NE ARG A 57 6.089 0.340 12.670 1.00 1.58 N ATOM 876 CZ ARG A 57 5.485 1.516 12.469 1.00 2.33 C ATOM 877 NH1 ARG A 57 4.549 1.646 11.532 1.00 2.27 N ATOM 878 NH2 ARG A 57 5.821 2.577 13.194 1.00 3.34 N ATOM 0 H ARG A 57 8.259 -4.355 12.655 1.00 0.34 H new ATOM 0 HA ARG A 57 5.965 -4.544 14.300 1.00 0.38 H new ATOM 0 HB2 ARG A 57 5.886 -2.158 14.042 1.00 0.45 H new ATOM 0 HB3 ARG A 57 7.587 -2.581 14.043 1.00 0.45 H new ATOM 0 HG2 ARG A 57 7.832 -1.509 12.086 1.00 0.43 H new ATOM 0 HG3 ARG A 57 6.782 -2.687 11.324 1.00 0.43 H new ATOM 0 HD2 ARG A 57 5.713 -0.647 10.860 1.00 0.53 H new ATOM 0 HD3 ARG A 57 4.812 -1.262 12.231 1.00 0.53 H new ATOM 0 HE ARG A 57 6.808 0.291 13.391 1.00 1.58 H new ATOM 0 HH11 ARG A 57 4.286 0.844 10.959 1.00 2.27 H new ATOM 0 HH12 ARG A 57 4.094 2.547 11.387 1.00 2.27 H new ATOM 0 HH21 ARG A 57 6.544 2.498 13.909 1.00 3.34 H new ATOM 0 HH22 ARG A 57 5.356 3.471 13.035 1.00 3.34 H new ATOM 892 N THR A 58 3.932 -4.231 12.856 1.00 0.36 N ATOM 893 CA THR A 58 2.753 -4.324 12.021 1.00 0.31 C ATOM 894 C THR A 58 2.117 -2.943 11.893 1.00 0.28 C ATOM 895 O THR A 58 2.395 -2.049 12.696 1.00 0.33 O ATOM 896 CB THR A 58 1.751 -5.345 12.599 1.00 0.35 C ATOM 897 OG1 THR A 58 0.740 -5.677 11.637 1.00 0.34 O ATOM 898 CG2 THR A 58 1.095 -4.821 13.866 1.00 0.39 C ATOM 0 H THR A 58 3.737 -4.118 13.851 1.00 0.36 H new ATOM 0 HA THR A 58 3.041 -4.675 11.030 1.00 0.31 H new ATOM 0 HB THR A 58 2.316 -6.244 12.845 1.00 0.35 H new ATOM 0 HG1 THR A 58 1.046 -5.424 10.741 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.395 -5.564 14.247 1.00 0.39 H new ATOM 0 HG22 THR A 58 1.860 -4.624 14.617 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.559 -3.898 13.643 1.00 0.39 H new ATOM 906 N THR A 59 1.307 -2.748 10.868 1.00 0.25 N ATOM 907 CA THR A 59 0.654 -1.471 10.648 1.00 0.27 C ATOM 908 C THR A 59 -0.727 -1.683 10.037 1.00 0.24 C ATOM 909 O THR A 59 -0.857 -2.282 8.972 1.00 0.36 O ATOM 910 CB THR A 59 1.521 -0.575 9.735 1.00 0.32 C ATOM 911 OG1 THR A 59 2.896 -0.651 10.149 1.00 0.49 O ATOM 912 CG2 THR A 59 1.071 0.873 9.785 1.00 0.48 C ATOM 0 H THR A 59 1.085 -3.461 10.173 1.00 0.25 H new ATOM 0 HA THR A 59 0.533 -0.969 11.608 1.00 0.27 H new ATOM 0 HB THR A 59 1.410 -0.936 8.712 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.299 -1.472 9.797 1.00 0.49 H new ATOM 0 HG21 THR A 59 1.703 1.473 9.131 1.00 0.48 H new ATOM 0 HG22 THR A 59 0.035 0.944 9.453 1.00 0.48 H new ATOM 0 HG23 THR A 59 1.151 1.244 10.807 1.00 0.48 H new ATOM 920 N THR A 60 -1.760 -1.224 10.730 1.00 0.26 N ATOM 921 CA THR A 60 -3.128 -1.376 10.251 1.00 0.23 C ATOM 922 C THR A 60 -3.805 -0.017 10.105 1.00 0.22 C ATOM 923 O THR A 60 -3.853 0.762 11.054 1.00 0.26 O ATOM 924 CB THR A 60 -3.951 -2.255 11.214 1.00 0.25 C ATOM 925 OG1 THR A 60 -3.164 -3.378 11.639 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.229 -2.748 10.547 1.00 0.24 C ATOM 0 H THR A 60 -1.677 -0.743 11.626 1.00 0.26 H new ATOM 0 HA THR A 60 -3.084 -1.860 9.275 1.00 0.23 H new ATOM 0 HB THR A 60 -4.225 -1.651 12.079 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.690 -3.933 12.252 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.790 -3.365 11.248 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.837 -1.894 10.249 1.00 0.24 H new ATOM 0 HG23 THR A 60 -4.975 -3.338 9.666 1.00 0.24 H new ATOM 934 N ASN A 61 -4.315 0.269 8.910 1.00 0.25 N ATOM 935 CA ASN A 61 -4.987 1.539 8.651 1.00 0.26 C ATOM 936 C ASN A 61 -6.403 1.313 8.167 1.00 0.29 C ATOM 937 O ASN A 61 -6.652 0.482 7.293 1.00 0.51 O ATOM 938 CB ASN A 61 -4.222 2.372 7.613 1.00 0.36 C ATOM 939 CG ASN A 61 -2.783 2.648 8.018 1.00 0.87 C ATOM 940 OD1 ASN A 61 -2.513 3.519 8.837 1.00 1.43 O ATOM 941 ND2 ASN A 61 -1.848 1.912 7.435 1.00 1.72 N ATOM 0 H ASN A 61 -4.276 -0.360 8.108 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.013 2.087 9.593 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.231 1.848 6.657 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -4.740 3.319 7.462 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -0.865 2.061 7.663 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -2.111 1.196 6.758 1.00 1.72 H new ATOM 948 N SER A 62 -7.326 2.062 8.738 1.00 0.21 N ATOM 949 CA SER A 62 -8.723 1.958 8.381 1.00 0.25 C ATOM 950 C SER A 62 -9.178 3.222 7.670 1.00 0.23 C ATOM 951 O SER A 62 -8.978 4.328 8.172 1.00 0.29 O ATOM 952 CB SER A 62 -9.548 1.716 9.639 1.00 0.34 C ATOM 953 OG SER A 62 -9.299 2.714 10.619 1.00 1.04 O ATOM 0 H SER A 62 -7.128 2.756 9.459 1.00 0.21 H new ATOM 0 HA SER A 62 -8.864 1.119 7.700 1.00 0.25 H new ATOM 0 HB2 SER A 62 -10.608 1.709 9.386 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.311 0.734 10.048 1.00 0.34 H new ATOM 0 HG SER A 62 -9.048 3.552 10.176 1.00 1.04 H new ATOM 959 N PHE A 63 -9.774 3.056 6.501 1.00 0.18 N ATOM 960 CA PHE A 63 -10.237 4.193 5.723 1.00 0.17 C ATOM 961 C PHE A 63 -11.621 3.934 5.160 1.00 0.18 C ATOM 962 O PHE A 63 -11.998 2.790 4.916 1.00 0.24 O ATOM 963 CB PHE A 63 -9.270 4.495 4.572 1.00 0.17 C ATOM 964 CG PHE A 63 -9.121 3.362 3.595 1.00 0.18 C ATOM 965 CD1 PHE A 63 -8.238 2.327 3.848 1.00 0.86 C ATOM 966 CD2 PHE A 63 -9.870 3.330 2.428 1.00 0.88 C ATOM 967 CE1 PHE A 63 -8.103 1.281 2.959 1.00 0.88 C ATOM 968 CE2 PHE A 63 -9.740 2.285 1.538 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.855 1.260 1.802 1.00 0.23 C ATOM 0 H PHE A 63 -9.948 2.148 6.071 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.279 5.054 6.391 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.619 5.379 4.039 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.291 4.738 4.986 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -7.648 2.338 4.752 1.00 0.86 H new ATOM 0 HD2 PHE A 63 -10.562 4.131 2.214 1.00 0.88 H new ATOM 0 HE1 PHE A 63 -7.410 0.480 3.168 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -10.331 2.269 0.634 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.751 0.442 1.104 1.00 0.23 H new ATOM 979 N THR A 64 -12.369 4.998 4.952 1.00 0.17 N ATOM 980 CA THR A 64 -13.703 4.889 4.400 1.00 0.19 C ATOM 981 C THR A 64 -13.797 5.684 3.104 1.00 0.18 C ATOM 982 O THR A 64 -13.315 6.814 3.029 1.00 0.19 O ATOM 983 CB THR A 64 -14.744 5.391 5.415 1.00 0.21 C ATOM 984 OG1 THR A 64 -14.679 4.591 6.596 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.153 5.357 4.836 1.00 0.22 C ATOM 0 H THR A 64 -12.074 5.952 5.158 1.00 0.17 H new ATOM 0 HA THR A 64 -13.911 3.841 4.184 1.00 0.19 H new ATOM 0 HB THR A 64 -14.513 6.428 5.658 1.00 0.21 H new ATOM 0 HG1 THR A 64 -15.341 4.911 7.244 1.00 0.25 H new ATOM 0 HG21 THR A 64 -16.861 5.719 5.581 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.199 5.994 3.953 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.408 4.334 4.559 1.00 0.22 H new ATOM 993 N ILE A 65 -14.367 5.072 2.073 1.00 0.18 N ATOM 994 CA ILE A 65 -14.529 5.737 0.787 1.00 0.18 C ATOM 995 C ILE A 65 -15.327 7.036 0.936 1.00 0.21 C ATOM 996 O ILE A 65 -16.412 7.048 1.525 1.00 0.24 O ATOM 997 CB ILE A 65 -15.223 4.817 -0.234 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.428 3.519 -0.402 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.389 5.525 -1.571 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -13.052 3.713 -1.007 1.00 0.19 C ATOM 0 H ILE A 65 -14.724 4.117 2.103 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.531 5.976 0.419 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.216 4.569 0.141 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.321 3.042 0.572 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -14.997 2.835 -1.032 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.881 4.857 -2.278 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.995 6.421 -1.436 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.409 5.805 -1.959 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.553 2.748 -1.093 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -13.149 4.161 -1.996 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.463 4.370 -0.368 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.749 8.122 0.421 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.341 9.461 0.464 1.00 0.23 C ATOM 1014 C ASP A 66 -15.308 9.989 1.891 1.00 0.23 C ATOM 1015 O ASP A 66 -16.099 10.848 2.281 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.776 9.459 -0.074 1.00 0.27 C ATOM 1017 CG ASP A 66 -17.188 10.800 -0.649 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.431 11.362 -1.472 1.00 1.04 O ATOM 1019 OD2 ASP A 66 -18.285 11.291 -0.305 1.00 1.10 O ATOM 0 H ASP A 66 -13.842 8.096 -0.045 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.753 10.116 -0.178 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.869 8.694 -0.845 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.460 9.187 0.730 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.375 9.455 2.663 1.00 0.21 N ATOM 1025 CA LYS A 67 -14.213 9.831 4.052 1.00 0.22 C ATOM 1026 C LYS A 67 -12.735 10.008 4.398 1.00 0.21 C ATOM 1027 O LYS A 67 -11.878 9.274 3.897 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.837 8.754 4.936 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.424 8.820 6.394 1.00 0.25 C ATOM 1030 CD LYS A 67 -15.026 10.013 7.112 1.00 0.35 C ATOM 1031 CE LYS A 67 -14.343 10.247 8.444 1.00 1.15 C ATOM 1032 NZ LYS A 67 -14.573 9.131 9.400 1.00 1.59 N ATOM 0 H LYS A 67 -13.711 8.750 2.342 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.714 10.784 4.224 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.922 8.835 4.875 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.568 7.775 4.539 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.731 7.903 6.898 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.337 8.871 6.459 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -14.931 10.903 6.489 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -16.092 9.847 7.270 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -13.272 10.370 8.284 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -14.709 11.177 8.879 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -14.087 9.336 10.296 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -15.593 9.028 9.575 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -14.200 8.247 8.998 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.443 11.012 5.215 1.00 0.24 N ATOM 1047 CA GLU A 68 -11.083 11.267 5.660 1.00 0.26 C ATOM 1048 C GLU A 68 -10.645 10.156 6.613 1.00 0.23 C ATOM 1049 O GLU A 68 -11.392 9.763 7.511 1.00 0.34 O ATOM 1050 CB GLU A 68 -11.002 12.629 6.353 1.00 0.34 C ATOM 1051 CG GLU A 68 -11.913 12.743 7.564 1.00 1.35 C ATOM 1052 CD GLU A 68 -11.841 14.095 8.236 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -10.736 14.670 8.315 1.00 2.55 O ATOM 1054 OE2 GLU A 68 -12.893 14.592 8.693 1.00 2.51 O ATOM 0 H GLU A 68 -13.135 11.665 5.583 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.416 11.281 4.798 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -9.973 12.810 6.663 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -11.262 13.409 5.637 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -12.941 12.551 7.257 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -11.646 11.971 8.286 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.451 9.639 6.413 1.00 0.20 N ATOM 1062 CA ALA A 69 -8.956 8.566 7.255 1.00 0.18 C ATOM 1063 C ALA A 69 -7.589 8.883 7.828 1.00 0.21 C ATOM 1064 O ALA A 69 -6.858 9.730 7.304 1.00 0.31 O ATOM 1065 CB ALA A 69 -8.910 7.269 6.469 1.00 0.18 C ATOM 0 H ALA A 69 -8.808 9.940 5.681 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.644 8.457 8.093 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.537 6.469 7.109 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -9.912 7.019 6.121 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.247 7.386 5.612 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.246 8.192 8.907 1.00 0.20 N ATOM 1072 CA ASP A 70 -5.965 8.376 9.561 1.00 0.24 C ATOM 1073 C ASP A 70 -5.056 7.222 9.176 1.00 0.22 C ATOM 1074 O ASP A 70 -5.417 6.054 9.325 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.127 8.469 11.090 1.00 0.31 C ATOM 1076 CG ASP A 70 -6.365 7.124 11.760 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -7.493 6.592 11.663 1.00 1.95 O ATOM 1078 OD2 ASP A 70 -5.425 6.600 12.395 1.00 1.87 O ATOM 0 H ASP A 70 -7.845 7.494 9.348 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.521 9.316 9.233 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -5.232 8.924 11.515 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -6.961 9.132 11.319 1.00 0.31 H new ATOM 1083 N MET A 71 -3.896 7.541 8.636 1.00 0.20 N ATOM 1084 CA MET A 71 -2.972 6.512 8.215 1.00 0.20 C ATOM 1085 C MET A 71 -1.578 6.737 8.763 1.00 0.22 C ATOM 1086 O MET A 71 -1.222 7.834 9.203 1.00 0.26 O ATOM 1087 CB MET A 71 -2.897 6.455 6.696 1.00 0.22 C ATOM 1088 CG MET A 71 -4.253 6.404 6.041 1.00 0.19 C ATOM 1089 SD MET A 71 -4.259 7.161 4.415 1.00 0.20 S ATOM 1090 CE MET A 71 -5.981 7.606 4.323 1.00 0.20 C ATOM 0 H MET A 71 -3.575 8.497 8.480 1.00 0.20 H new ATOM 0 HA MET A 71 -3.351 5.569 8.610 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.356 7.328 6.331 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.323 5.577 6.399 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.573 5.366 5.956 1.00 0.19 H new ATOM 0 HG3 MET A 71 -4.979 6.910 6.677 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.223 7.914 3.306 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.594 6.748 4.598 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.181 8.429 5.009 1.00 0.20 H new ATOM 1100 N GLU A 72 -0.808 5.674 8.728 1.00 0.24 N ATOM 1101 CA GLU A 72 0.566 5.677 9.164 1.00 0.25 C ATOM 1102 C GLU A 72 1.308 4.666 8.310 1.00 0.26 C ATOM 1103 O GLU A 72 0.793 3.576 8.048 1.00 0.29 O ATOM 1104 CB GLU A 72 0.661 5.331 10.662 1.00 0.28 C ATOM 1105 CG GLU A 72 1.743 4.317 11.020 1.00 0.30 C ATOM 1106 CD GLU A 72 3.018 4.960 11.531 1.00 0.67 C ATOM 1107 OE1 GLU A 72 3.176 6.186 11.378 1.00 1.32 O ATOM 1108 OE2 GLU A 72 3.865 4.240 12.102 1.00 1.47 O ATOM 0 H GLU A 72 -1.127 4.766 8.389 1.00 0.24 H new ATOM 0 HA GLU A 72 1.011 6.665 9.045 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.844 6.249 11.221 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.303 4.944 10.992 1.00 0.28 H new ATOM 0 HG2 GLU A 72 1.357 3.636 11.779 1.00 0.30 H new ATOM 0 HG3 GLU A 72 1.974 3.716 10.141 1.00 0.30 H new ATOM 1115 N THR A 73 2.477 5.032 7.831 1.00 0.26 N ATOM 1116 CA THR A 73 3.249 4.128 7.001 1.00 0.28 C ATOM 1117 C THR A 73 4.130 3.235 7.855 1.00 0.30 C ATOM 1118 O THR A 73 4.191 3.386 9.076 1.00 0.36 O ATOM 1119 CB THR A 73 4.137 4.887 6.002 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.119 5.660 6.704 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.303 5.795 5.119 1.00 0.32 C ATOM 0 H THR A 73 2.912 5.939 7.999 1.00 0.26 H new ATOM 0 HA THR A 73 2.533 3.523 6.446 1.00 0.28 H new ATOM 0 HB THR A 73 4.640 4.156 5.369 1.00 0.28 H new ATOM 0 HG1 THR A 73 5.987 5.568 6.259 1.00 0.28 H new ATOM 0 HG21 THR A 73 3.954 6.321 4.421 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.581 5.198 4.562 1.00 0.32 H new ATOM 0 HG23 THR A 73 2.774 6.519 5.738 1.00 0.32 H new ATOM 1129 N MET A 74 4.826 2.314 7.213 1.00 0.32 N ATOM 1130 CA MET A 74 5.717 1.420 7.924 1.00 0.34 C ATOM 1131 C MET A 74 7.023 2.147 8.225 1.00 0.31 C ATOM 1132 O MET A 74 7.902 1.620 8.905 1.00 0.37 O ATOM 1133 CB MET A 74 5.981 0.154 7.106 1.00 0.42 C ATOM 1134 CG MET A 74 4.734 -0.678 6.864 1.00 0.76 C ATOM 1135 SD MET A 74 5.074 -2.202 5.961 1.00 0.93 S ATOM 1136 CE MET A 74 4.740 -3.422 7.230 1.00 1.05 C ATOM 0 H MET A 74 4.791 2.167 6.204 1.00 0.32 H new ATOM 0 HA MET A 74 5.249 1.118 8.861 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.414 0.434 6.146 1.00 0.42 H new ATOM 0 HB3 MET A 74 6.721 -0.456 7.623 1.00 0.42 H new ATOM 0 HG2 MET A 74 4.275 -0.923 7.822 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.010 -0.085 6.306 1.00 0.76 H new ATOM 0 HE1 MET A 74 4.608 -4.401 6.768 1.00 1.05 H new ATOM 0 HE2 MET A 74 5.577 -3.460 7.928 1.00 1.05 H new ATOM 0 HE3 MET A 74 3.832 -3.149 7.767 1.00 1.05 H new ATOM 1146 N GLY A 75 7.140 3.364 7.698 1.00 0.28 N ATOM 1147 CA GLY A 75 8.322 4.165 7.918 1.00 0.31 C ATOM 1148 C GLY A 75 8.159 5.086 9.107 1.00 0.35 C ATOM 1149 O GLY A 75 9.128 5.691 9.572 1.00 0.48 O ATOM 0 H GLY A 75 6.428 3.808 7.118 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.180 3.512 8.078 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.533 4.755 7.026 1.00 0.31 H new ATOM 1153 N GLY A 76 6.927 5.203 9.593 1.00 0.34 N ATOM 1154 CA GLY A 76 6.650 6.046 10.740 1.00 0.39 C ATOM 1155 C GLY A 76 6.051 7.389 10.367 1.00 0.38 C ATOM 1156 O GLY A 76 6.252 8.379 11.074 1.00 0.48 O ATOM 0 H GLY A 76 6.112 4.725 9.209 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.966 5.524 11.409 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.575 6.210 11.294 1.00 0.39 H new ATOM 1160 N ARG A 77 5.312 7.434 9.264 1.00 0.38 N ATOM 1161 CA ARG A 77 4.685 8.675 8.821 1.00 0.38 C ATOM 1162 C ARG A 77 3.233 8.737 9.266 1.00 0.37 C ATOM 1163 O ARG A 77 2.424 7.898 8.881 1.00 0.36 O ATOM 1164 CB ARG A 77 4.734 8.810 7.300 1.00 0.37 C ATOM 1165 CG ARG A 77 6.084 8.530 6.689 1.00 0.39 C ATOM 1166 CD ARG A 77 6.030 8.694 5.182 1.00 0.43 C ATOM 1167 NE ARG A 77 6.440 10.032 4.761 1.00 0.52 N ATOM 1168 CZ ARG A 77 7.702 10.392 4.544 1.00 0.67 C ATOM 1169 NH1 ARG A 77 8.675 9.489 4.573 1.00 0.80 N ATOM 1170 NH2 ARG A 77 7.987 11.654 4.254 1.00 0.85 N ATOM 0 H ARG A 77 5.133 6.630 8.662 1.00 0.38 H new ATOM 0 HA ARG A 77 5.245 9.493 9.274 1.00 0.38 H new ATOM 0 HB2 ARG A 77 4.004 8.128 6.864 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.429 9.820 7.028 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.827 9.208 7.108 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.400 7.517 6.939 1.00 0.39 H new ATOM 0 HD2 ARG A 77 6.677 7.953 4.713 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.016 8.499 4.832 1.00 0.43 H new ATOM 0 HE ARG A 77 5.713 10.734 4.625 1.00 0.52 H new ATOM 0 HH11 ARG A 77 8.457 8.511 4.763 1.00 0.80 H new ATOM 0 HH12 ARG A 77 9.640 9.774 4.405 1.00 0.80 H new ATOM 0 HH21 ARG A 77 7.239 12.346 4.198 1.00 0.85 H new ATOM 0 HH22 ARG A 77 8.954 11.933 4.087 1.00 0.85 H new ATOM 1184 N LYS A 78 2.911 9.742 10.064 1.00 0.42 N ATOM 1185 CA LYS A 78 1.546 9.929 10.548 1.00 0.43 C ATOM 1186 C LYS A 78 0.856 10.963 9.678 1.00 0.39 C ATOM 1187 O LYS A 78 1.331 12.094 9.559 1.00 0.44 O ATOM 1188 CB LYS A 78 1.525 10.389 12.009 1.00 0.57 C ATOM 1189 CG LYS A 78 2.028 9.347 12.994 1.00 0.75 C ATOM 1190 CD LYS A 78 3.537 9.421 13.167 1.00 1.12 C ATOM 1191 CE LYS A 78 4.037 8.354 14.126 1.00 1.69 C ATOM 1192 NZ LYS A 78 3.484 7.014 13.801 1.00 1.76 N ATOM 0 H LYS A 78 3.575 10.443 10.393 1.00 0.42 H new ATOM 0 HA LYS A 78 1.024 8.974 10.493 1.00 0.43 H new ATOM 0 HB2 LYS A 78 2.134 11.288 12.105 1.00 0.57 H new ATOM 0 HB3 LYS A 78 0.505 10.665 12.277 1.00 0.57 H new ATOM 0 HG2 LYS A 78 1.543 9.494 13.959 1.00 0.75 H new ATOM 0 HG3 LYS A 78 1.750 8.352 12.646 1.00 0.75 H new ATOM 0 HD2 LYS A 78 4.022 9.299 12.199 1.00 1.12 H new ATOM 0 HD3 LYS A 78 3.814 10.407 13.540 1.00 1.12 H new ATOM 0 HE2 LYS A 78 5.126 8.316 14.091 1.00 1.69 H new ATOM 0 HE3 LYS A 78 3.760 8.623 15.145 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 4.157 6.279 14.098 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 2.582 6.880 14.302 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 3.324 6.944 12.776 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.255 10.589 9.074 1.00 0.33 N ATOM 1207 CA PHE A 79 -0.956 11.508 8.196 1.00 0.31 C ATOM 1208 C PHE A 79 -2.432 11.170 8.050 1.00 0.28 C ATOM 1209 O PHE A 79 -2.901 10.121 8.492 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.278 11.492 6.824 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.248 10.138 6.175 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.791 9.266 6.442 1.00 1.07 C ATOM 1213 CD2 PHE A 79 -1.246 9.736 5.303 1.00 1.17 C ATOM 1214 CE1 PHE A 79 0.838 8.025 5.856 1.00 1.09 C ATOM 1215 CE2 PHE A 79 -1.204 8.489 4.711 1.00 1.16 C ATOM 1216 CZ PHE A 79 -0.161 7.631 4.987 1.00 0.26 C ATOM 0 H PHE A 79 -0.687 9.670 9.172 1.00 0.33 H new ATOM 0 HA PHE A 79 -0.905 12.502 8.641 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.797 12.188 6.165 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.744 11.856 6.931 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.576 9.565 7.121 1.00 1.07 H new ATOM 0 HD2 PHE A 79 -2.065 10.404 5.084 1.00 1.17 H new ATOM 0 HE1 PHE A 79 1.657 7.356 6.075 1.00 1.09 H new ATOM 0 HE2 PHE A 79 -1.988 8.186 4.032 1.00 1.16 H new ATOM 0 HZ PHE A 79 -0.125 6.655 4.526 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.157 12.092 7.440 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.572 11.931 7.179 1.00 0.33 C ATOM 1228 C LYS A 80 -4.836 12.200 5.710 1.00 0.27 C ATOM 1229 O LYS A 80 -4.285 13.143 5.139 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.405 12.884 8.039 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.547 12.441 9.486 1.00 0.65 C ATOM 1232 CD LYS A 80 -4.432 12.989 10.362 1.00 0.81 C ATOM 1233 CE LYS A 80 -4.522 12.457 11.780 1.00 1.64 C ATOM 1234 NZ LYS A 80 -3.532 11.376 12.031 1.00 2.55 N ATOM 0 H LYS A 80 -2.775 12.979 7.111 1.00 0.29 H new ATOM 0 HA LYS A 80 -4.862 10.911 7.432 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -4.948 13.873 8.015 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.398 12.981 7.600 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.510 12.774 9.874 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -5.543 11.352 9.534 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -3.467 12.721 9.933 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.483 14.078 10.377 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -4.356 13.272 12.485 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -5.528 12.078 11.962 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -3.626 11.040 13.011 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -3.706 10.587 11.376 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -2.571 11.744 11.882 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.665 11.377 5.102 1.00 0.24 N ATOM 1249 CA ALA A 81 -5.971 11.528 3.690 1.00 0.20 C ATOM 1250 C ALA A 81 -7.378 11.047 3.379 1.00 0.19 C ATOM 1251 O ALA A 81 -7.964 10.270 4.136 1.00 0.19 O ATOM 1252 CB ALA A 81 -4.949 10.763 2.858 1.00 0.21 C ATOM 0 H ALA A 81 -6.139 10.598 5.559 1.00 0.24 H new ATOM 0 HA ALA A 81 -5.920 12.587 3.436 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.182 10.879 1.799 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -3.952 11.156 3.055 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -4.981 9.706 3.123 1.00 0.21 H new ATOM 1258 N THR A 82 -7.919 11.521 2.271 1.00 0.19 N ATOM 1259 CA THR A 82 -9.250 11.134 1.846 1.00 0.19 C ATOM 1260 C THR A 82 -9.157 10.140 0.694 1.00 0.20 C ATOM 1261 O THR A 82 -8.357 10.314 -0.231 1.00 0.28 O ATOM 1262 CB THR A 82 -10.082 12.357 1.413 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.778 13.474 2.258 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.572 12.057 1.488 1.00 0.25 C ATOM 0 H THR A 82 -7.453 12.179 1.646 1.00 0.19 H new ATOM 0 HA THR A 82 -9.751 10.668 2.694 1.00 0.19 H new ATOM 0 HB THR A 82 -9.827 12.594 0.380 1.00 0.23 H new ATOM 0 HG1 THR A 82 -10.308 14.250 1.978 1.00 0.33 H new ATOM 0 HG21 THR A 82 -12.136 12.936 1.177 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.809 11.222 0.828 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.840 11.797 2.512 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.960 9.091 0.762 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.950 8.058 -0.256 1.00 0.15 C ATOM 1274 C VAL A 83 -11.284 8.005 -0.982 1.00 0.16 C ATOM 1275 O VAL A 83 -12.319 8.248 -0.380 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.667 6.683 0.374 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.364 5.657 -0.699 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.522 6.765 1.371 1.00 0.19 C ATOM 0 H VAL A 83 -10.629 8.934 1.516 1.00 0.15 H new ATOM 0 HA VAL A 83 -9.162 8.301 -0.969 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.562 6.368 0.911 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.167 4.691 -0.234 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.219 5.569 -1.370 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.488 5.972 -1.267 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -8.343 5.780 1.801 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.621 7.108 0.863 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.780 7.466 2.165 1.00 0.19 H new ATOM 1288 N LYS A 84 -11.254 7.706 -2.269 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.473 7.611 -3.063 1.00 0.19 C ATOM 1290 C LYS A 84 -12.430 6.344 -3.917 1.00 0.19 C ATOM 1291 O LYS A 84 -11.425 5.628 -3.923 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.639 8.857 -3.939 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.416 9.165 -4.779 1.00 0.26 C ATOM 1294 CD LYS A 84 -11.249 10.650 -5.023 1.00 0.42 C ATOM 1295 CE LYS A 84 -9.913 10.942 -5.688 1.00 0.49 C ATOM 1296 NZ LYS A 84 -9.840 12.331 -6.213 1.00 1.14 N ATOM 0 H LYS A 84 -10.397 7.524 -2.791 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.333 7.555 -2.396 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.498 8.719 -4.596 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.859 9.714 -3.302 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.528 8.778 -4.280 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.495 8.648 -5.735 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -12.061 11.013 -5.653 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -11.315 11.188 -4.077 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -9.109 10.784 -4.969 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.754 10.238 -6.504 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -8.913 12.486 -6.658 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -10.591 12.475 -6.918 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -9.966 13.005 -5.431 1.00 1.14 H new ATOM 1310 N MET A 85 -13.505 6.064 -4.636 1.00 0.21 N ATOM 1311 CA MET A 85 -13.564 4.873 -5.471 1.00 0.22 C ATOM 1312 C MET A 85 -13.994 5.218 -6.888 1.00 0.28 C ATOM 1313 O MET A 85 -15.036 5.842 -7.098 1.00 0.41 O ATOM 1314 CB MET A 85 -14.528 3.850 -4.872 1.00 0.23 C ATOM 1315 CG MET A 85 -13.866 2.545 -4.465 1.00 0.21 C ATOM 1316 SD MET A 85 -15.034 1.382 -3.737 1.00 0.26 S ATOM 1317 CE MET A 85 -13.907 0.308 -2.865 1.00 0.25 C ATOM 0 H MET A 85 -14.345 6.642 -4.659 1.00 0.21 H new ATOM 0 HA MET A 85 -12.563 4.443 -5.510 1.00 0.22 H new ATOM 0 HB2 MET A 85 -15.011 4.289 -3.999 1.00 0.23 H new ATOM 0 HB3 MET A 85 -15.313 3.637 -5.598 1.00 0.23 H new ATOM 0 HG2 MET A 85 -13.400 2.089 -5.338 1.00 0.21 H new ATOM 0 HG3 MET A 85 -13.070 2.752 -3.750 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.465 -0.504 -2.400 1.00 0.25 H new ATOM 0 HE2 MET A 85 -13.182 -0.105 -3.566 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.384 0.876 -2.096 1.00 0.25 H new ATOM 1327 N GLU A 86 -13.188 4.810 -7.856 1.00 0.26 N ATOM 1328 CA GLU A 86 -13.482 5.073 -9.255 1.00 0.32 C ATOM 1329 C GLU A 86 -13.664 3.774 -10.044 1.00 0.29 C ATOM 1330 O GLU A 86 -12.708 3.220 -10.581 1.00 0.36 O ATOM 1331 CB GLU A 86 -12.379 5.930 -9.889 1.00 0.48 C ATOM 1332 CG GLU A 86 -10.963 5.484 -9.544 1.00 1.22 C ATOM 1333 CD GLU A 86 -9.916 6.084 -10.462 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -10.167 7.166 -11.038 1.00 2.67 O ATOM 1335 OE2 GLU A 86 -8.831 5.479 -10.609 1.00 2.46 O ATOM 0 H GLU A 86 -12.323 4.294 -7.697 1.00 0.26 H new ATOM 0 HA GLU A 86 -14.421 5.624 -9.294 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -12.499 5.913 -10.972 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -12.510 6.964 -9.570 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -10.740 5.764 -8.514 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -10.906 4.397 -9.598 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.897 3.286 -10.082 1.00 0.37 N ATOM 1343 CA GLY A 87 -15.200 2.071 -10.819 1.00 0.46 C ATOM 1344 C GLY A 87 -14.571 0.836 -10.211 1.00 0.38 C ATOM 1345 O GLY A 87 -13.910 0.060 -10.903 1.00 0.36 O ATOM 0 H GLY A 87 -15.697 3.711 -9.614 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -16.281 1.938 -10.860 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.853 2.180 -11.846 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.765 0.658 -8.912 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.216 -0.499 -8.229 1.00 0.33 C ATOM 1351 C GLY A 88 -12.726 -0.379 -7.978 1.00 0.27 C ATOM 1352 O GLY A 88 -12.049 -1.373 -7.727 1.00 0.32 O ATOM 0 H GLY A 88 -15.294 1.295 -8.316 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.731 -0.632 -7.277 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.409 -1.392 -8.823 1.00 0.33 H new ATOM 1356 N LYS A 89 -12.213 0.840 -8.062 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.795 1.089 -7.834 1.00 0.19 C ATOM 1358 C LYS A 89 -10.632 2.124 -6.740 1.00 0.17 C ATOM 1359 O LYS A 89 -11.085 3.260 -6.875 1.00 0.20 O ATOM 1360 CB LYS A 89 -10.101 1.570 -9.109 1.00 0.24 C ATOM 1361 CG LYS A 89 -10.495 0.791 -10.352 1.00 0.28 C ATOM 1362 CD LYS A 89 -9.469 0.943 -11.464 1.00 0.52 C ATOM 1363 CE LYS A 89 -9.227 2.404 -11.823 1.00 1.06 C ATOM 1364 NZ LYS A 89 -7.879 2.870 -11.394 1.00 1.76 N ATOM 0 H LYS A 89 -12.757 1.673 -8.286 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.329 0.152 -7.530 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -10.334 2.624 -9.263 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -9.022 1.498 -8.973 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -10.604 -0.264 -10.100 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -11.467 1.137 -10.705 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -8.529 0.485 -11.155 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -9.810 0.404 -12.348 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -9.329 2.534 -12.900 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -9.991 3.024 -11.353 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -7.981 3.672 -10.739 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -7.379 2.094 -10.915 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -7.334 3.171 -12.227 1.00 1.76 H new ATOM 1378 N ILE A 90 -10.019 1.717 -5.646 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.796 2.611 -4.524 1.00 0.16 C ATOM 1380 C ILE A 90 -8.623 3.547 -4.807 1.00 0.17 C ATOM 1381 O ILE A 90 -7.475 3.115 -4.867 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.520 1.827 -3.225 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.505 0.666 -3.075 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.620 2.755 -2.037 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.531 0.052 -1.686 1.00 0.20 C ATOM 0 H ILE A 90 -9.665 0.770 -5.509 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.705 3.197 -4.391 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.512 1.415 -3.273 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.506 1.018 -3.324 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -10.250 -0.108 -3.798 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.424 2.197 -1.122 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.887 3.555 -2.138 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.621 3.184 -1.993 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -11.254 -0.764 -1.662 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.541 -0.333 -1.440 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -10.817 0.811 -0.958 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.916 4.825 -4.985 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.883 5.808 -5.262 1.00 0.17 C ATOM 1399 C VAL A 91 -7.763 6.797 -4.109 1.00 0.16 C ATOM 1400 O VAL A 91 -8.765 7.316 -3.605 1.00 0.16 O ATOM 1401 CB VAL A 91 -8.156 6.559 -6.589 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.563 7.126 -6.623 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -7.126 7.659 -6.821 1.00 0.25 C ATOM 0 H VAL A 91 -9.861 5.205 -4.942 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.939 5.274 -5.368 1.00 0.17 H new ATOM 0 HB VAL A 91 -8.066 5.835 -7.399 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.723 7.647 -7.567 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.285 6.314 -6.530 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.694 7.825 -5.797 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -7.343 8.169 -7.760 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -7.168 8.376 -6.001 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -6.129 7.220 -6.869 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.539 7.030 -3.676 1.00 0.18 N ATOM 1414 CA ALA A 92 -6.279 7.949 -2.585 1.00 0.19 C ATOM 1415 C ALA A 92 -5.505 9.163 -3.082 1.00 0.20 C ATOM 1416 O ALA A 92 -4.650 9.046 -3.964 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.526 7.240 -1.474 1.00 0.22 C ATOM 0 H ALA A 92 -5.704 6.592 -4.066 1.00 0.18 H new ATOM 0 HA ALA A 92 -7.230 8.299 -2.185 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.336 7.939 -0.660 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -6.123 6.406 -1.104 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.578 6.865 -1.859 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.812 10.321 -2.523 1.00 0.22 N ATOM 1424 CA ASP A 93 -5.158 11.562 -2.923 1.00 0.26 C ATOM 1425 C ASP A 93 -4.012 11.910 -1.990 1.00 0.22 C ATOM 1426 O ASP A 93 -4.188 11.984 -0.770 1.00 0.23 O ATOM 1427 CB ASP A 93 -6.165 12.708 -2.944 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.522 14.053 -3.242 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -5.369 14.398 -4.433 1.00 0.88 O ATOM 1430 OD2 ASP A 93 -5.179 14.784 -2.284 1.00 1.19 O ATOM 0 H ASP A 93 -6.511 10.431 -1.789 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.753 11.414 -3.924 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -6.928 12.501 -3.694 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.671 12.758 -1.980 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.847 12.136 -2.571 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.661 12.482 -1.808 1.00 0.21 C ATOM 1437 C PHE A 94 -0.825 13.485 -2.580 1.00 0.24 C ATOM 1438 O PHE A 94 -0.873 13.515 -3.809 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.824 11.241 -1.506 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.472 10.304 -0.540 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.469 10.576 0.816 1.00 1.14 C ATOM 1442 CD2 PHE A 94 -2.096 9.155 -0.991 1.00 1.26 C ATOM 1443 CE1 PHE A 94 -2.077 9.716 1.706 1.00 1.14 C ATOM 1444 CE2 PHE A 94 -2.706 8.295 -0.104 1.00 1.27 C ATOM 1445 CZ PHE A 94 -2.697 8.576 1.244 1.00 0.25 C ATOM 0 H PHE A 94 -2.697 12.085 -3.579 1.00 0.22 H new ATOM 0 HA PHE A 94 -1.980 12.922 -0.863 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.627 10.710 -2.437 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.141 11.552 -1.106 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.986 11.470 1.181 1.00 1.14 H new ATOM 0 HD2 PHE A 94 -2.105 8.930 -2.047 1.00 1.26 H new ATOM 0 HE1 PHE A 94 -2.067 9.936 2.763 1.00 1.14 H new ATOM 0 HE2 PHE A 94 -3.191 7.401 -0.466 1.00 1.27 H new ATOM 0 HZ PHE A 94 -3.176 7.902 1.939 1.00 0.25 H new ATOM 1455 N PRO A 95 -0.058 14.329 -1.882 1.00 0.26 N ATOM 1456 CA PRO A 95 0.784 15.330 -2.538 1.00 0.29 C ATOM 1457 C PRO A 95 1.947 14.701 -3.295 1.00 0.26 C ATOM 1458 O PRO A 95 2.839 14.098 -2.693 1.00 0.27 O ATOM 1459 CB PRO A 95 1.295 16.182 -1.380 1.00 0.36 C ATOM 1460 CG PRO A 95 1.211 15.312 -0.174 1.00 0.32 C ATOM 1461 CD PRO A 95 0.053 14.380 -0.408 1.00 0.28 C ATOM 0 HA PRO A 95 0.233 15.898 -3.287 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.320 16.509 -1.557 1.00 0.36 H new ATOM 0 HB3 PRO A 95 0.690 17.081 -1.258 1.00 0.36 H new ATOM 0 HG2 PRO A 95 2.137 14.754 -0.031 1.00 0.32 H new ATOM 0 HG3 PRO A 95 1.056 15.908 0.726 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.241 13.393 0.015 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.862 14.754 0.051 1.00 0.28 H new ATOM 1469 N ASN A 96 1.922 14.839 -4.621 1.00 0.27 N ATOM 1470 CA ASN A 96 2.968 14.289 -5.486 1.00 0.29 C ATOM 1471 C ASN A 96 3.013 12.760 -5.371 1.00 0.28 C ATOM 1472 O ASN A 96 4.024 12.115 -5.652 1.00 0.37 O ATOM 1473 CB ASN A 96 4.327 14.918 -5.137 1.00 0.35 C ATOM 1474 CG ASN A 96 5.425 14.549 -6.112 1.00 0.77 C ATOM 1475 OD1 ASN A 96 5.168 14.267 -7.283 1.00 1.27 O ATOM 1476 ND2 ASN A 96 6.657 14.559 -5.637 1.00 1.50 N ATOM 0 H ASN A 96 1.183 15.331 -5.123 1.00 0.27 H new ATOM 0 HA ASN A 96 2.737 14.535 -6.522 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.222 16.003 -5.112 1.00 0.35 H new ATOM 0 HB3 ASN A 96 4.619 14.603 -4.135 1.00 0.35 H new ATOM 0 HD21 ASN A 96 7.441 14.327 -6.247 1.00 1.50 H new ATOM 0 HD22 ASN A 96 6.825 14.799 -4.660 1.00 1.50 H new ATOM 1483 N TYR A 97 1.894 12.190 -4.951 1.00 0.23 N ATOM 1484 CA TYR A 97 1.775 10.749 -4.789 1.00 0.21 C ATOM 1485 C TYR A 97 0.385 10.294 -5.223 1.00 0.21 C ATOM 1486 O TYR A 97 -0.628 10.748 -4.689 1.00 0.24 O ATOM 1487 CB TYR A 97 2.039 10.374 -3.328 1.00 0.22 C ATOM 1488 CG TYR A 97 2.329 8.906 -3.083 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.371 7.931 -3.324 1.00 1.14 C ATOM 1490 CD2 TYR A 97 3.560 8.504 -2.586 1.00 1.28 C ATOM 1491 CE1 TYR A 97 1.632 6.598 -3.077 1.00 1.14 C ATOM 1492 CE2 TYR A 97 3.831 7.172 -2.342 1.00 1.31 C ATOM 1493 CZ TYR A 97 2.863 6.223 -2.585 1.00 0.32 C ATOM 1494 OH TYR A 97 3.122 4.895 -2.330 1.00 0.38 O ATOM 0 H TYR A 97 1.048 12.709 -4.714 1.00 0.23 H new ATOM 0 HA TYR A 97 2.512 10.247 -5.416 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.883 10.961 -2.965 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.172 10.661 -2.733 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.405 8.220 -3.711 1.00 1.14 H new ATOM 0 HD2 TYR A 97 4.320 9.245 -2.386 1.00 1.28 H new ATOM 0 HE1 TYR A 97 0.874 5.852 -3.269 1.00 1.14 H new ATOM 0 HE2 TYR A 97 4.798 6.876 -1.962 1.00 1.31 H new ATOM 0 HH TYR A 97 4.036 4.800 -1.988 1.00 0.38 H new ATOM 1504 N HIS A 98 0.347 9.406 -6.198 1.00 0.21 N ATOM 1505 CA HIS A 98 -0.904 8.886 -6.724 1.00 0.22 C ATOM 1506 C HIS A 98 -1.010 7.401 -6.403 1.00 0.21 C ATOM 1507 O HIS A 98 -0.261 6.595 -6.950 1.00 0.24 O ATOM 1508 CB HIS A 98 -0.965 9.119 -8.242 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.316 8.882 -8.849 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.221 9.895 -9.093 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -2.901 7.747 -9.295 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.301 9.389 -9.657 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.132 8.088 -9.793 1.00 1.09 N ATOM 0 H HIS A 98 1.179 9.025 -6.648 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.743 9.406 -6.261 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.660 10.144 -8.453 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.241 8.464 -8.728 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -2.476 6.754 -9.264 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.176 9.946 -9.957 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -4.807 7.441 -10.202 1.00 1.09 H new ATOM 1522 N HIS A 99 -1.930 7.051 -5.516 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.108 5.660 -5.114 1.00 0.22 C ATOM 1524 C HIS A 99 -3.475 5.129 -5.538 1.00 0.21 C ATOM 1525 O HIS A 99 -4.508 5.698 -5.184 1.00 0.23 O ATOM 1526 CB HIS A 99 -1.951 5.528 -3.595 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.584 4.149 -3.144 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.367 3.886 -2.567 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -2.303 3.003 -3.199 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -0.371 2.597 -2.285 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.523 2.021 -2.648 1.00 0.49 N ATOM 0 H HIS A 99 -2.564 7.708 -5.061 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.342 5.067 -5.614 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.186 6.227 -3.256 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -2.885 5.821 -3.116 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -3.299 2.886 -3.600 1.00 0.52 H new ATOM 0 HE1 HIS A 99 0.451 2.073 -1.820 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -1.773 1.038 -2.536 1.00 0.49 H new ATOM 1539 N THR A 100 -3.463 4.049 -6.311 1.00 0.22 N ATOM 1540 CA THR A 100 -4.691 3.416 -6.774 1.00 0.22 C ATOM 1541 C THR A 100 -4.641 1.909 -6.547 1.00 0.23 C ATOM 1542 O THR A 100 -3.659 1.256 -6.907 1.00 0.31 O ATOM 1543 CB THR A 100 -4.938 3.680 -8.270 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.768 3.342 -9.030 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.293 5.132 -8.506 1.00 0.24 C ATOM 0 H THR A 100 -2.610 3.591 -6.632 1.00 0.22 H new ATOM 0 HA THR A 100 -5.507 3.852 -6.197 1.00 0.22 H new ATOM 0 HB THR A 100 -5.773 3.058 -8.593 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.344 2.548 -8.642 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.463 5.297 -9.570 1.00 0.24 H new ATOM 0 HG22 THR A 100 -6.198 5.380 -7.951 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.474 5.766 -8.167 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.696 1.373 -5.949 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.796 -0.054 -5.684 1.00 0.23 C ATOM 1555 C ALA A 101 -6.924 -0.651 -6.511 1.00 0.22 C ATOM 1556 O ALA A 101 -8.038 -0.126 -6.517 1.00 0.23 O ATOM 1557 CB ALA A 101 -6.036 -0.307 -4.200 1.00 0.26 C ATOM 0 H ALA A 101 -6.503 1.913 -5.636 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.857 -0.532 -5.964 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -6.108 -1.380 -4.021 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -5.207 0.103 -3.622 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.965 0.175 -3.894 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.637 -1.740 -7.210 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.638 -2.385 -8.049 1.00 0.23 C ATOM 1565 C GLU A 102 -7.318 -3.857 -8.246 1.00 0.24 C ATOM 1566 O GLU A 102 -6.240 -4.329 -7.873 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.719 -1.697 -9.414 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.393 -1.653 -10.154 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.303 -0.493 -11.130 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -6.318 0.678 -10.685 1.00 1.38 O ATOM 1571 OE2 GLU A 102 -6.224 -0.741 -12.351 1.00 1.18 O ATOM 0 H GLU A 102 -5.724 -2.194 -7.213 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.599 -2.298 -7.542 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.452 -2.217 -10.030 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -8.083 -0.679 -9.277 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.581 -1.578 -9.431 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.253 -2.589 -10.695 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.259 -4.572 -8.842 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.097 -5.988 -9.101 1.00 0.29 C ATOM 1580 C ILE A 103 -8.001 -6.238 -10.603 1.00 0.31 C ATOM 1581 O ILE A 103 -8.831 -5.765 -11.377 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.269 -6.817 -8.526 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.591 -6.394 -7.086 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -8.938 -8.302 -8.581 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.471 -6.660 -6.102 1.00 0.37 C ATOM 0 H ILE A 103 -9.150 -4.187 -9.157 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.178 -6.304 -8.607 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.152 -6.628 -9.137 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.826 -5.330 -7.075 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.485 -6.921 -6.754 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -9.770 -8.876 -8.174 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -8.765 -8.598 -9.616 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.041 -8.497 -7.993 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -8.775 -6.334 -5.107 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.250 -7.727 -6.082 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.580 -6.111 -6.407 1.00 0.37 H new ATOM 1597 N SER A 104 -6.974 -6.954 -11.015 1.00 0.34 N ATOM 1598 CA SER A 104 -6.774 -7.269 -12.420 1.00 0.38 C ATOM 1599 C SER A 104 -6.224 -8.679 -12.560 1.00 0.48 C ATOM 1600 O SER A 104 -5.133 -8.976 -12.072 1.00 0.88 O ATOM 1601 CB SER A 104 -5.838 -6.243 -13.070 1.00 0.55 C ATOM 1602 OG SER A 104 -6.482 -4.982 -13.204 1.00 1.37 O ATOM 0 H SER A 104 -6.259 -7.332 -10.394 1.00 0.34 H new ATOM 0 HA SER A 104 -7.732 -7.221 -12.937 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.937 -6.133 -12.467 1.00 0.55 H new ATOM 0 HB3 SER A 104 -5.524 -6.601 -14.050 1.00 0.55 H new ATOM 0 HG SER A 104 -5.866 -4.343 -13.619 1.00 1.37 H new ATOM 1608 N GLY A 105 -7.004 -9.550 -13.191 1.00 0.53 N ATOM 1609 CA GLY A 105 -6.585 -10.922 -13.372 1.00 0.64 C ATOM 1610 C GLY A 105 -6.629 -11.693 -12.073 1.00 0.63 C ATOM 1611 O GLY A 105 -5.857 -12.633 -11.869 1.00 0.96 O ATOM 0 H GLY A 105 -7.920 -9.327 -13.580 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -7.230 -11.406 -14.105 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -5.572 -10.944 -13.775 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.538 -11.290 -11.187 1.00 0.49 N ATOM 1616 CA GLY A 106 -7.667 -11.944 -9.899 1.00 0.50 C ATOM 1617 C GLY A 106 -6.507 -11.617 -8.984 1.00 0.44 C ATOM 1618 O GLY A 106 -6.202 -12.370 -8.058 1.00 0.48 O ATOM 0 H GLY A 106 -8.188 -10.519 -11.341 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.600 -11.636 -9.427 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -7.723 -13.023 -10.043 1.00 0.50 H new ATOM 1622 N LYS A 107 -5.856 -10.493 -9.251 1.00 0.38 N ATOM 1623 CA LYS A 107 -4.717 -10.060 -8.461 1.00 0.35 C ATOM 1624 C LYS A 107 -4.852 -8.597 -8.072 1.00 0.32 C ATOM 1625 O LYS A 107 -5.438 -7.800 -8.808 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.417 -10.276 -9.238 1.00 0.34 C ATOM 1627 CG LYS A 107 -2.798 -11.647 -9.025 1.00 0.38 C ATOM 1628 CD LYS A 107 -1.675 -11.921 -10.014 1.00 0.66 C ATOM 1629 CE LYS A 107 -1.117 -13.326 -9.846 1.00 0.75 C ATOM 1630 NZ LYS A 107 0.058 -13.572 -10.724 1.00 1.22 N ATOM 0 H LYS A 107 -6.101 -9.863 -10.014 1.00 0.38 H new ATOM 0 HA LYS A 107 -4.690 -10.659 -7.550 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.612 -10.137 -10.301 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -2.697 -9.512 -8.943 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.412 -11.717 -8.008 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.567 -12.413 -9.127 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -2.045 -11.794 -11.031 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -0.877 -11.192 -9.872 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -0.830 -13.479 -8.806 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -1.896 -14.054 -10.072 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -0.122 -14.406 -11.319 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 0.218 -12.742 -11.330 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 0.900 -13.740 -10.138 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.310 -8.260 -6.913 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.347 -6.900 -6.402 1.00 0.28 C ATOM 1646 C LEU A 108 -3.107 -6.163 -6.873 1.00 0.27 C ATOM 1647 O LEU A 108 -1.985 -6.625 -6.662 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.419 -6.938 -4.863 1.00 0.29 C ATOM 1649 CG LEU A 108 -4.469 -5.592 -4.112 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -3.088 -4.976 -3.982 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -5.433 -4.618 -4.774 1.00 0.76 C ATOM 0 H LEU A 108 -3.832 -8.921 -6.301 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.227 -6.375 -6.774 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.303 -7.511 -4.583 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.553 -7.492 -4.501 1.00 0.29 H new ATOM 0 HG LEU A 108 -4.840 -5.800 -3.108 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -3.161 -4.029 -3.448 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -2.437 -5.655 -3.430 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -2.672 -4.802 -4.974 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -5.442 -3.681 -4.218 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -5.113 -4.429 -5.799 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.435 -5.046 -4.780 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.303 -5.038 -7.529 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.187 -4.255 -8.010 1.00 0.29 C ATOM 1665 C VAL A 109 -2.352 -2.793 -7.612 1.00 0.29 C ATOM 1666 O VAL A 109 -3.287 -2.114 -8.036 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.004 -4.393 -9.542 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.302 -4.098 -10.285 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -0.869 -3.501 -10.032 1.00 0.32 C ATOM 0 H VAL A 109 -4.221 -4.648 -7.740 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.283 -4.645 -7.541 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.736 -5.427 -9.757 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.139 -4.204 -11.358 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.072 -4.799 -9.964 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.624 -3.080 -10.065 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -0.758 -3.613 -11.110 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.096 -2.461 -9.797 1.00 0.32 H new ATOM 0 HG23 VAL A 109 0.059 -3.790 -9.539 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.459 -2.331 -6.756 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.492 -0.957 -6.293 1.00 0.30 C ATOM 1681 C GLU A 110 -0.401 -0.153 -6.986 1.00 0.28 C ATOM 1682 O GLU A 110 0.780 -0.495 -6.904 1.00 0.34 O ATOM 1683 CB GLU A 110 -1.312 -0.895 -4.774 1.00 0.34 C ATOM 1684 CG GLU A 110 -2.547 -1.328 -3.992 1.00 0.71 C ATOM 1685 CD GLU A 110 -2.282 -1.448 -2.505 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -2.060 -0.410 -1.852 1.00 1.69 O ATOM 1687 OE2 GLU A 110 -2.261 -2.584 -1.988 1.00 1.45 O ATOM 0 H GLU A 110 -0.700 -2.890 -6.367 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.463 -0.528 -6.540 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -0.472 -1.530 -4.490 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -1.052 0.124 -4.489 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -3.348 -0.608 -4.158 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -2.896 -2.287 -4.374 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.806 0.889 -7.694 1.00 0.26 N ATOM 1695 CA ILE A 111 0.138 1.746 -8.398 1.00 0.24 C ATOM 1696 C ILE A 111 0.404 3.000 -7.579 1.00 0.25 C ATOM 1697 O ILE A 111 -0.529 3.655 -7.112 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.369 2.142 -9.806 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.489 0.909 -10.702 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.564 3.160 -10.447 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -1.890 0.361 -10.801 1.00 0.37 C ATOM 0 H ILE A 111 -1.783 1.163 -7.797 1.00 0.26 H new ATOM 0 HA ILE A 111 1.060 1.180 -8.527 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.355 2.592 -9.694 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.137 1.163 -11.702 1.00 0.29 H new ATOM 0 HG13 ILE A 111 0.170 0.129 -10.320 1.00 0.29 H new ATOM 0 HG21 ILE A 111 0.189 3.425 -11.436 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.610 4.054 -9.825 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.562 2.731 -10.540 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -1.894 -0.512 -11.454 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -2.239 0.074 -9.809 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.551 1.124 -11.212 1.00 0.37 H new ATOM 1713 N SER A 112 1.674 3.314 -7.393 1.00 0.23 N ATOM 1714 CA SER A 112 2.075 4.477 -6.623 1.00 0.24 C ATOM 1715 C SER A 112 2.998 5.376 -7.436 1.00 0.22 C ATOM 1716 O SER A 112 4.166 5.054 -7.642 1.00 0.25 O ATOM 1717 CB SER A 112 2.786 4.034 -5.345 1.00 0.28 C ATOM 1718 OG SER A 112 1.985 3.149 -4.580 1.00 0.37 O ATOM 0 H SER A 112 2.452 2.773 -7.769 1.00 0.23 H new ATOM 0 HA SER A 112 1.179 5.042 -6.366 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.725 3.545 -5.602 1.00 0.28 H new ATOM 0 HB3 SER A 112 3.036 4.909 -4.745 1.00 0.28 H new ATOM 0 HG SER A 112 1.353 3.666 -4.038 1.00 0.37 H new ATOM 1724 N THR A 113 2.470 6.485 -7.918 1.00 0.22 N ATOM 1725 CA THR A 113 3.268 7.429 -8.679 1.00 0.22 C ATOM 1726 C THR A 113 3.781 8.527 -7.757 1.00 0.23 C ATOM 1727 O THR A 113 3.022 9.055 -6.943 1.00 0.26 O ATOM 1728 CB THR A 113 2.451 8.067 -9.815 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.304 7.254 -10.108 1.00 0.27 O ATOM 1730 CG2 THR A 113 3.308 8.228 -11.066 1.00 0.27 C ATOM 0 H THR A 113 1.494 6.755 -7.797 1.00 0.22 H new ATOM 0 HA THR A 113 4.104 6.884 -9.118 1.00 0.22 H new ATOM 0 HB THR A 113 2.119 9.054 -9.493 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.787 7.666 -10.831 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.713 8.681 -11.859 1.00 0.27 H new ATOM 0 HG22 THR A 113 4.162 8.868 -10.842 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.663 7.250 -11.392 1.00 0.27 H new ATOM 1738 N SER A 114 5.057 8.869 -7.871 1.00 0.25 N ATOM 1739 CA SER A 114 5.641 9.899 -7.035 1.00 0.30 C ATOM 1740 C SER A 114 6.816 10.555 -7.742 1.00 0.29 C ATOM 1741 O SER A 114 7.790 9.890 -8.103 1.00 0.30 O ATOM 1742 CB SER A 114 6.095 9.312 -5.695 1.00 0.38 C ATOM 1743 OG SER A 114 6.302 10.331 -4.736 1.00 1.43 O ATOM 0 H SER A 114 5.705 8.446 -8.536 1.00 0.25 H new ATOM 0 HA SER A 114 4.880 10.655 -6.844 1.00 0.30 H new ATOM 0 HB2 SER A 114 5.345 8.611 -5.329 1.00 0.38 H new ATOM 0 HB3 SER A 114 7.017 8.748 -5.835 1.00 0.38 H new ATOM 0 HG SER A 114 5.649 11.048 -4.875 1.00 1.43 H new ATOM 1749 N SER A 115 6.701 11.857 -7.961 1.00 0.37 N ATOM 1750 CA SER A 115 7.743 12.642 -8.613 1.00 0.47 C ATOM 1751 C SER A 115 8.041 12.137 -10.025 1.00 0.47 C ATOM 1752 O SER A 115 9.139 12.330 -10.545 1.00 0.57 O ATOM 1753 CB SER A 115 9.011 12.638 -7.757 1.00 0.54 C ATOM 1754 OG SER A 115 8.694 12.837 -6.389 1.00 0.63 O ATOM 0 H SER A 115 5.881 12.401 -7.692 1.00 0.37 H new ATOM 0 HA SER A 115 7.380 13.665 -8.711 1.00 0.47 H new ATOM 0 HB2 SER A 115 9.535 11.690 -7.880 1.00 0.54 H new ATOM 0 HB3 SER A 115 9.687 13.423 -8.096 1.00 0.54 H new ATOM 0 HG SER A 115 9.225 13.580 -6.035 1.00 0.63 H new ATOM 1760 N GLY A 116 7.064 11.490 -10.640 1.00 0.42 N ATOM 1761 CA GLY A 116 7.248 10.990 -11.985 1.00 0.46 C ATOM 1762 C GLY A 116 7.468 9.494 -12.042 1.00 0.40 C ATOM 1763 O GLY A 116 7.148 8.857 -13.044 1.00 0.46 O ATOM 0 H GLY A 116 6.148 11.302 -10.232 1.00 0.42 H new ATOM 0 HA2 GLY A 116 6.373 11.245 -12.583 1.00 0.46 H new ATOM 0 HA3 GLY A 116 8.102 11.493 -12.439 1.00 0.46 H new ATOM 1767 N VAL A 117 8.009 8.926 -10.974 1.00 0.33 N ATOM 1768 CA VAL A 117 8.268 7.496 -10.941 1.00 0.29 C ATOM 1769 C VAL A 117 6.985 6.734 -10.617 1.00 0.28 C ATOM 1770 O VAL A 117 6.213 7.136 -9.743 1.00 0.29 O ATOM 1771 CB VAL A 117 9.396 7.135 -9.937 1.00 0.30 C ATOM 1772 CG1 VAL A 117 8.877 6.999 -8.511 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.106 5.865 -10.376 1.00 0.53 C ATOM 0 H VAL A 117 8.275 9.428 -10.127 1.00 0.33 H new ATOM 0 HA VAL A 117 8.614 7.197 -11.931 1.00 0.29 H new ATOM 0 HB VAL A 117 10.110 7.959 -9.938 1.00 0.30 H new ATOM 0 HG11 VAL A 117 9.703 6.746 -7.846 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.432 7.942 -8.194 1.00 0.52 H new ATOM 0 HG13 VAL A 117 8.125 6.211 -8.471 1.00 0.52 H new ATOM 0 HG21 VAL A 117 10.894 5.624 -9.663 1.00 0.53 H new ATOM 0 HG22 VAL A 117 9.390 5.044 -10.417 1.00 0.53 H new ATOM 0 HG23 VAL A 117 10.543 6.015 -11.363 1.00 0.53 H new ATOM 1783 N VAL A 118 6.737 5.671 -11.357 1.00 0.27 N ATOM 1784 CA VAL A 118 5.552 4.860 -11.149 1.00 0.27 C ATOM 1785 C VAL A 118 5.904 3.503 -10.541 1.00 0.25 C ATOM 1786 O VAL A 118 6.596 2.688 -11.152 1.00 0.29 O ATOM 1787 CB VAL A 118 4.768 4.666 -12.470 1.00 0.29 C ATOM 1788 CG1 VAL A 118 5.649 4.063 -13.553 1.00 0.97 C ATOM 1789 CG2 VAL A 118 3.534 3.809 -12.247 1.00 0.86 C ATOM 0 H VAL A 118 7.343 5.347 -12.111 1.00 0.27 H new ATOM 0 HA VAL A 118 4.915 5.395 -10.444 1.00 0.27 H new ATOM 0 HB VAL A 118 4.446 5.651 -12.809 1.00 0.29 H new ATOM 0 HG11 VAL A 118 5.069 3.940 -14.467 1.00 0.97 H new ATOM 0 HG12 VAL A 118 6.493 4.725 -13.746 1.00 0.97 H new ATOM 0 HG13 VAL A 118 6.017 3.092 -13.223 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.000 3.687 -13.190 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.833 2.831 -11.871 1.00 0.86 H new ATOM 0 HG23 VAL A 118 2.881 4.293 -11.520 1.00 0.86 H new ATOM 1799 N TYR A 119 5.441 3.279 -9.327 1.00 0.22 N ATOM 1800 CA TYR A 119 5.689 2.026 -8.632 1.00 0.21 C ATOM 1801 C TYR A 119 4.482 1.110 -8.757 1.00 0.22 C ATOM 1802 O TYR A 119 3.346 1.539 -8.554 1.00 0.29 O ATOM 1803 CB TYR A 119 5.998 2.291 -7.157 1.00 0.22 C ATOM 1804 CG TYR A 119 6.025 1.050 -6.289 1.00 0.21 C ATOM 1805 CD1 TYR A 119 6.968 0.051 -6.497 1.00 1.17 C ATOM 1806 CD2 TYR A 119 5.109 0.885 -5.258 1.00 1.21 C ATOM 1807 CE1 TYR A 119 6.994 -1.080 -5.703 1.00 1.20 C ATOM 1808 CE2 TYR A 119 5.129 -0.240 -4.460 1.00 1.22 C ATOM 1809 CZ TYR A 119 6.073 -1.219 -4.687 1.00 0.34 C ATOM 1810 OH TYR A 119 6.094 -2.342 -3.892 1.00 0.43 O ATOM 0 H TYR A 119 4.887 3.952 -8.797 1.00 0.22 H new ATOM 0 HA TYR A 119 6.550 1.538 -9.088 1.00 0.21 H new ATOM 0 HB2 TYR A 119 6.964 2.791 -7.085 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.252 2.980 -6.761 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.692 0.160 -7.291 1.00 1.17 H new ATOM 0 HD2 TYR A 119 4.369 1.650 -5.078 1.00 1.21 H new ATOM 0 HE1 TYR A 119 7.731 -1.850 -5.878 1.00 1.20 H new ATOM 0 HE2 TYR A 119 4.410 -0.353 -3.662 1.00 1.22 H new ATOM 0 HH TYR A 119 6.081 -2.076 -2.949 1.00 0.43 H new ATOM 1820 N LYS A 120 4.728 -0.139 -9.104 1.00 0.21 N ATOM 1821 CA LYS A 120 3.666 -1.115 -9.246 1.00 0.23 C ATOM 1822 C LYS A 120 4.015 -2.377 -8.480 1.00 0.24 C ATOM 1823 O LYS A 120 5.167 -2.808 -8.480 1.00 0.29 O ATOM 1824 CB LYS A 120 3.465 -1.454 -10.719 1.00 0.28 C ATOM 1825 CG LYS A 120 2.841 -0.336 -11.531 1.00 0.31 C ATOM 1826 CD LYS A 120 3.347 -0.368 -12.961 1.00 0.46 C ATOM 1827 CE LYS A 120 2.450 0.419 -13.896 1.00 0.87 C ATOM 1828 NZ LYS A 120 2.898 0.303 -15.307 1.00 1.17 N ATOM 0 H LYS A 120 5.662 -0.503 -9.294 1.00 0.21 H new ATOM 0 HA LYS A 120 2.745 -0.693 -8.844 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.429 -1.712 -11.156 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.834 -2.339 -10.794 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.755 -0.434 -11.521 1.00 0.31 H new ATOM 0 HG3 LYS A 120 3.078 0.626 -11.077 1.00 0.31 H new ATOM 0 HD2 LYS A 120 4.357 0.040 -12.998 1.00 0.46 H new ATOM 0 HD3 LYS A 120 3.408 -1.402 -13.301 1.00 0.46 H new ATOM 0 HE2 LYS A 120 1.425 0.058 -13.808 1.00 0.87 H new ATOM 0 HE3 LYS A 120 2.445 1.468 -13.600 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 2.262 0.853 -15.919 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 3.867 0.670 -15.395 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 2.879 -0.696 -15.596 1.00 1.17 H new ATOM 1842 N ARG A 121 3.034 -2.960 -7.814 1.00 0.25 N ATOM 1843 CA ARG A 121 3.262 -4.192 -7.075 1.00 0.28 C ATOM 1844 C ARG A 121 2.041 -5.099 -7.144 1.00 0.28 C ATOM 1845 O ARG A 121 0.928 -4.702 -6.794 1.00 0.34 O ATOM 1846 CB ARG A 121 3.659 -3.922 -5.617 1.00 0.36 C ATOM 1847 CG ARG A 121 2.665 -3.088 -4.829 1.00 0.59 C ATOM 1848 CD ARG A 121 2.966 -3.144 -3.334 1.00 0.84 C ATOM 1849 NE ARG A 121 2.360 -2.034 -2.605 1.00 1.20 N ATOM 1850 CZ ARG A 121 1.091 -2.010 -2.208 1.00 1.59 C ATOM 1851 NH1 ARG A 121 0.307 -3.065 -2.404 1.00 1.88 N ATOM 1852 NH2 ARG A 121 0.612 -0.943 -1.589 1.00 2.48 N ATOM 0 H ARG A 121 2.079 -2.605 -7.769 1.00 0.25 H new ATOM 0 HA ARG A 121 4.100 -4.703 -7.549 1.00 0.28 H new ATOM 0 HB2 ARG A 121 3.793 -4.877 -5.109 1.00 0.36 H new ATOM 0 HB3 ARG A 121 4.625 -3.417 -5.606 1.00 0.36 H new ATOM 0 HG2 ARG A 121 2.700 -2.054 -5.172 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.654 -3.451 -5.014 1.00 0.59 H new ATOM 0 HD2 ARG A 121 2.599 -4.086 -2.927 1.00 0.84 H new ATOM 0 HD3 ARG A 121 4.045 -3.129 -3.182 1.00 0.84 H new ATOM 0 HE ARG A 121 2.945 -1.228 -2.387 1.00 1.20 H new ATOM 0 HH11 ARG A 121 0.678 -3.898 -2.861 1.00 1.88 H new ATOM 0 HH12 ARG A 121 -0.666 -3.042 -2.098 1.00 1.88 H new ATOM 0 HH21 ARG A 121 1.216 -0.139 -1.417 1.00 2.48 H new ATOM 0 HH22 ARG A 121 -0.361 -0.924 -1.284 1.00 2.48 H new ATOM 1866 N THR A 122 2.268 -6.309 -7.620 1.00 0.27 N ATOM 1867 CA THR A 122 1.221 -7.304 -7.752 1.00 0.27 C ATOM 1868 C THR A 122 1.179 -8.177 -6.512 1.00 0.25 C ATOM 1869 O THR A 122 2.200 -8.736 -6.098 1.00 0.29 O ATOM 1870 CB THR A 122 1.467 -8.192 -8.983 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.958 -7.397 -10.068 1.00 0.43 O ATOM 1872 CG2 THR A 122 0.190 -8.903 -9.402 1.00 0.34 C ATOM 0 H THR A 122 3.186 -6.630 -7.927 1.00 0.27 H new ATOM 0 HA THR A 122 0.270 -6.784 -7.872 1.00 0.27 H new ATOM 0 HB THR A 122 2.210 -8.944 -8.720 1.00 0.31 H new ATOM 0 HG1 THR A 122 2.114 -7.969 -10.848 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.389 -9.525 -10.275 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.163 -9.529 -8.583 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.573 -8.165 -9.649 1.00 0.34 H new ATOM 1880 N SER A 123 0.015 -8.275 -5.901 1.00 0.24 N ATOM 1881 CA SER A 123 -0.149 -9.091 -4.716 1.00 0.23 C ATOM 1882 C SER A 123 -1.199 -10.169 -4.973 1.00 0.23 C ATOM 1883 O SER A 123 -2.283 -9.884 -5.489 1.00 0.25 O ATOM 1884 CB SER A 123 -0.548 -8.205 -3.538 1.00 0.25 C ATOM 1885 OG SER A 123 0.136 -6.964 -3.597 1.00 0.38 O ATOM 0 H SER A 123 -0.833 -7.798 -6.207 1.00 0.24 H new ATOM 0 HA SER A 123 0.792 -9.584 -4.474 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.625 -8.035 -3.551 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.317 -8.710 -2.600 1.00 0.25 H new ATOM 0 HG SER A 123 -0.131 -6.407 -2.837 1.00 0.38 H new ATOM 1891 N LYS A 124 -0.864 -11.408 -4.638 1.00 0.23 N ATOM 1892 CA LYS A 124 -1.776 -12.525 -4.843 1.00 0.25 C ATOM 1893 C LYS A 124 -2.817 -12.575 -3.723 1.00 0.22 C ATOM 1894 O LYS A 124 -2.532 -12.200 -2.585 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.003 -13.849 -4.930 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.301 -14.245 -3.640 1.00 0.31 C ATOM 1897 CD LYS A 124 0.409 -15.584 -3.783 1.00 0.43 C ATOM 1898 CE LYS A 124 0.800 -16.158 -2.428 1.00 0.61 C ATOM 1899 NZ LYS A 124 2.200 -15.825 -2.044 1.00 1.45 N ATOM 0 H LYS A 124 0.032 -11.665 -4.223 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.297 -12.377 -5.789 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -1.694 -14.643 -5.213 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.262 -13.773 -5.726 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.421 -13.476 -3.366 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.029 -14.302 -2.831 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.241 -16.288 -4.303 1.00 0.43 H new ATOM 0 HD3 LYS A 124 1.301 -15.460 -4.397 1.00 0.43 H new ATOM 0 HE2 LYS A 124 0.119 -15.778 -1.667 1.00 0.61 H new ATOM 0 HE3 LYS A 124 0.681 -17.241 -2.449 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 2.224 -15.517 -1.051 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 2.801 -16.666 -2.160 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 2.554 -15.060 -2.653 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.019 -13.041 -4.056 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.112 -13.126 -3.090 1.00 0.23 C ATOM 1915 C LYS A 125 -5.175 -14.514 -2.463 1.00 0.25 C ATOM 1916 O LYS A 125 -5.318 -15.521 -3.156 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.449 -12.804 -3.770 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.573 -12.413 -2.806 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.037 -13.592 -1.966 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.451 -13.414 -1.450 1.00 0.39 C ATOM 1921 NZ LYS A 125 -10.440 -13.267 -2.549 1.00 1.45 N ATOM 0 H LYS A 125 -4.261 -13.367 -4.992 1.00 0.24 H new ATOM 0 HA LYS A 125 -4.925 -12.396 -2.303 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.295 -11.990 -4.478 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -6.768 -13.672 -4.347 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.227 -11.614 -2.150 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.416 -12.017 -3.373 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.983 -14.503 -2.562 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -7.359 -13.722 -1.122 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -9.721 -14.272 -0.834 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -9.492 -12.535 -0.807 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -11.375 -13.583 -2.220 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -10.493 -12.269 -2.837 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -10.145 -13.846 -3.361 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.092 -14.552 -1.145 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.153 -15.798 -0.403 1.00 0.28 C ATOM 1937 C ILE A 126 -5.920 -15.583 0.896 1.00 0.30 C ATOM 1938 O ILE A 126 -6.230 -14.446 1.255 1.00 0.28 O ATOM 1939 CB ILE A 126 -3.750 -16.379 -0.075 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -2.636 -15.676 -0.867 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -3.721 -17.873 -0.346 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.073 -14.457 -0.173 1.00 0.27 C ATOM 0 H ILE A 126 -4.981 -13.723 -0.561 1.00 0.24 H new ATOM 0 HA ILE A 126 -5.663 -16.520 -1.041 1.00 0.28 H new ATOM 0 HB ILE A 126 -3.564 -16.201 0.984 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -1.828 -16.385 -1.048 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.026 -15.381 -1.841 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -2.732 -18.266 -0.112 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.466 -18.370 0.276 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -3.945 -18.057 -1.397 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.292 -14.014 -0.791 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -2.868 -13.728 -0.016 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -1.652 -14.748 0.789 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.292 -16.666 1.557 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.003 -16.572 2.822 1.00 0.44 C ATOM 1956 C ALA A 127 -6.455 -17.595 3.810 1.00 0.67 C ATOM 1957 O ALA A 127 -5.590 -17.228 4.634 1.00 1.27 O ATOM 1958 CB ALA A 127 -8.499 -16.763 2.616 1.00 0.46 C ATOM 0 H ALA A 127 -6.114 -17.619 1.240 1.00 0.38 H new ATOM 0 HA ALA A 127 -6.848 -15.575 3.235 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.011 -16.689 3.575 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -8.875 -15.992 1.944 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -8.684 -17.745 2.181 1.00 0.46 H new