USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 995 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 19 LYS NZ :NH3+ -174:sc= 0.627 (180deg=0) USER MOD Set 1.2: A 23 TYR OH : rot 30:sc= 0.835 USER MOD Set 1.3: A 123 SER OG : rot -96:sc= 0.833 USER MOD Set 2.1: A 83 LYS NZ :NH3+ -161:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 95 THR OG1 : rot -82:sc= 1.31 USER MOD Set 2.3: A 103 THR OG1 : rot 180:sc= 0.287 USER MOD Set 3.1: A 85 GLN :FLIP amide:sc= -4.67! C(o=-4.9!,f=-4.9!) USER MOD Set 3.2: A 105 ASN :FLIP amide:sc= -0.24 F(o=-5.5,f=-4.9) USER MOD Set 4.1: A 28 THR OG1 : rot 81:sc= 2.29 USER MOD Set 4.2: A 45 THR OG1 : rot 102:sc= 1.33 USER MOD Single : A 11 SER OG : rot -170:sc= 1.43 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 149:sc= -0.151 (180deg=-0.655) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0629) USER MOD Single : A 21 MET CE :methyl 140:sc= -0.0342 (180deg=-0.947) USER MOD Single : A 22 GLN :FLIP amide:sc= -3.4! C(o=-4.6!,f=-3.4!) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= 1.13 (180deg=0.878) USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= -1.37 (180deg=-1.46) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -179:sc= 1.16 USER MOD Single : A 36 HIS : no HD1:sc= -0.028 X(o=-0.028,f=-0.028) USER MOD Single : A 39 SER OG : rot 50:sc= 0.163 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 165:sc=-0.00768 (180deg=-0.149) USER MOD Single : A 46 CYS SG : rot 180:sc= -4.5! USER MOD Single : A 47 SER OG : rot 180:sc= -0.065 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.97 X(o=-2,f=-1.9) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 140:sc= -0.0262 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 170:sc= -0.0341 (180deg=-0.181) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -26:sc= 0.237 USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.2) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.305 K(o=-0.31,f=-1.5) USER MOD Single : A 89 THR OG1 : rot 98:sc= 1.29 USER MOD Single : A 90 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0042) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 98 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 102 THR OG1 : rot 68:sc= 0.851 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 90:sc= -2.18! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0.0044 USER MOD Single : A 116 SER OG : rot 74:sc= 0.883 USER MOD Single : A 118 GLN : amide:sc= -6.39! C(o=-6.4!,f=-8.9!) USER MOD Single : A 120 GLN :FLIP amide:sc= -0.324 F(o=-2.2!,f=-0.32) USER MOD Single : A 122 GLN : amide:sc= 0.973 K(o=0.97,f=0) USER MOD Single : A 125 MET CE :methyl 150:sc= -0.129 (180deg=-1.17) USER MOD Single : A 126 LYS NZ :NH3+ -170:sc=-0.00116 (180deg=-0.0772) USER MOD Single : A 128 MET CE :methyl -154:sc= -0.166 (180deg=-0.755) USER MOD Single : A 129 SER OG : rot 47:sc= -0.0994 USER MOD Single : A 130 MET CE :methyl -159:sc= -0.12 (180deg=-0.68) USER MOD Single : A 131 LYS NZ :NH3+ -165:sc= -0.0606 (180deg=-0.283) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 11 25.538 2.081 3.316 1.00 1.07 N ATOM 2 CA SER A 11 25.066 1.638 1.989 1.00 1.09 C ATOM 3 C SER A 11 23.665 2.162 1.722 1.00 0.93 C ATOM 4 O SER A 11 22.750 1.965 2.524 1.00 0.81 O ATOM 5 CB SER A 11 25.087 0.111 1.924 1.00 1.17 C ATOM 6 OG SER A 11 24.396 -0.381 0.787 1.00 1.81 O ATOM 0 HA SER A 11 25.730 2.037 1.222 1.00 1.09 H new ATOM 0 HB2 SER A 11 26.120 -0.237 1.899 1.00 1.17 H new ATOM 0 HB3 SER A 11 24.635 -0.297 2.828 1.00 1.17 H new ATOM 0 HG SER A 11 24.296 -1.353 0.860 1.00 1.81 H new ATOM 14 N ALA A 12 23.508 2.828 0.581 1.00 0.96 N ATOM 15 CA ALA A 12 22.240 3.427 0.196 1.00 0.88 C ATOM 16 C ALA A 12 21.187 2.363 -0.066 1.00 0.77 C ATOM 17 O ALA A 12 19.997 2.590 0.138 1.00 0.67 O ATOM 18 CB ALA A 12 22.423 4.292 -1.038 1.00 0.97 C ATOM 0 H ALA A 12 24.256 2.966 -0.099 1.00 0.96 H new ATOM 0 HA ALA A 12 21.896 4.049 1.023 1.00 0.88 H new ATOM 0 HB1 ALA A 12 21.467 4.735 -1.317 1.00 0.97 H new ATOM 0 HB2 ALA A 12 23.141 5.084 -0.824 1.00 0.97 H new ATOM 0 HB3 ALA A 12 22.792 3.679 -1.860 1.00 0.97 H new ATOM 24 N SER A 13 21.628 1.204 -0.527 1.00 0.87 N ATOM 25 CA SER A 13 20.720 0.103 -0.787 1.00 0.84 C ATOM 26 C SER A 13 20.285 -0.535 0.528 1.00 0.73 C ATOM 27 O SER A 13 19.102 -0.794 0.747 1.00 0.63 O ATOM 28 CB SER A 13 21.390 -0.932 -1.691 1.00 1.03 C ATOM 29 OG SER A 13 20.466 -1.920 -2.118 1.00 1.64 O ATOM 0 H SER A 13 22.608 1.003 -0.728 1.00 0.87 H new ATOM 0 HA SER A 13 19.836 0.485 -1.298 1.00 0.84 H new ATOM 0 HB2 SER A 13 21.821 -0.434 -2.560 1.00 1.03 H new ATOM 0 HB3 SER A 13 22.212 -1.407 -1.156 1.00 1.03 H new ATOM 0 HG SER A 13 20.922 -2.567 -2.696 1.00 1.64 H new ATOM 35 N ASP A 14 21.250 -0.751 1.413 1.00 0.79 N ATOM 36 CA ASP A 14 20.994 -1.395 2.699 1.00 0.78 C ATOM 37 C ASP A 14 20.107 -0.532 3.584 1.00 0.63 C ATOM 38 O ASP A 14 19.147 -1.024 4.175 1.00 0.59 O ATOM 39 CB ASP A 14 22.307 -1.698 3.417 1.00 0.93 C ATOM 40 CG ASP A 14 23.058 -2.858 2.794 1.00 1.74 C ATOM 41 OD1 ASP A 14 23.130 -3.927 3.430 1.00 1.88 O ATOM 42 OD2 ASP A 14 23.577 -2.708 1.664 1.00 2.69 O ATOM 0 H ASP A 14 22.224 -0.488 1.264 1.00 0.79 H new ATOM 0 HA ASP A 14 20.471 -2.331 2.501 1.00 0.78 H new ATOM 0 HB2 ASP A 14 22.939 -0.810 3.401 1.00 0.93 H new ATOM 0 HB3 ASP A 14 22.101 -1.923 4.463 1.00 0.93 H new ATOM 47 N ILE A 15 20.421 0.759 3.668 1.00 0.59 N ATOM 48 CA ILE A 15 19.626 1.674 4.477 1.00 0.50 C ATOM 49 C ILE A 15 18.193 1.728 3.954 1.00 0.39 C ATOM 50 O ILE A 15 17.236 1.823 4.718 1.00 0.35 O ATOM 51 CB ILE A 15 20.219 3.102 4.534 1.00 0.52 C ATOM 52 CG1 ILE A 15 19.521 3.881 5.640 1.00 0.50 C ATOM 53 CG2 ILE A 15 20.078 3.832 3.208 1.00 0.53 C ATOM 54 CD1 ILE A 15 20.042 3.558 7.021 1.00 0.58 C ATOM 0 H ILE A 15 21.212 1.190 3.190 1.00 0.59 H new ATOM 0 HA ILE A 15 19.638 1.283 5.495 1.00 0.50 H new ATOM 0 HB ILE A 15 21.286 3.023 4.742 1.00 0.52 H new ATOM 0 HG12 ILE A 15 19.642 4.948 5.455 1.00 0.50 H new ATOM 0 HG13 ILE A 15 18.452 3.670 5.604 1.00 0.50 H new ATOM 0 HG21 ILE A 15 20.508 4.830 3.295 1.00 0.53 H new ATOM 0 HG22 ILE A 15 20.602 3.277 2.430 1.00 0.53 H new ATOM 0 HG23 ILE A 15 19.023 3.913 2.948 1.00 0.53 H new ATOM 0 HD11 ILE A 15 19.501 4.148 7.761 1.00 0.58 H new ATOM 0 HD12 ILE A 15 19.897 2.497 7.226 1.00 0.58 H new ATOM 0 HD13 ILE A 15 21.105 3.795 7.074 1.00 0.58 H new ATOM 66 N ARG A 16 18.063 1.663 2.641 1.00 0.40 N ATOM 67 CA ARG A 16 16.769 1.649 1.988 1.00 0.34 C ATOM 68 C ARG A 16 16.020 0.379 2.338 1.00 0.29 C ATOM 69 O ARG A 16 14.863 0.432 2.723 1.00 0.24 O ATOM 70 CB ARG A 16 16.985 1.761 0.475 1.00 0.41 C ATOM 71 CG ARG A 16 15.744 1.652 -0.401 1.00 0.40 C ATOM 72 CD ARG A 16 16.165 1.688 -1.860 1.00 0.51 C ATOM 73 NE ARG A 16 15.048 1.766 -2.803 1.00 1.04 N ATOM 74 CZ ARG A 16 14.995 2.630 -3.822 1.00 1.14 C ATOM 75 NH1 ARG A 16 15.900 3.600 -3.927 1.00 0.97 N ATOM 76 NH2 ARG A 16 14.035 2.529 -4.731 1.00 1.88 N ATOM 0 H ARG A 16 18.853 1.618 1.998 1.00 0.40 H new ATOM 0 HA ARG A 16 16.167 2.491 2.329 1.00 0.34 H new ATOM 0 HB2 ARG A 16 17.464 2.718 0.269 1.00 0.41 H new ATOM 0 HB3 ARG A 16 17.685 0.982 0.172 1.00 0.41 H new ATOM 0 HG2 ARG A 16 15.211 0.726 -0.186 1.00 0.40 H new ATOM 0 HG3 ARG A 16 15.058 2.472 -0.186 1.00 0.40 H new ATOM 0 HD2 ARG A 16 16.819 2.545 -2.017 1.00 0.51 H new ATOM 0 HD3 ARG A 16 16.751 0.795 -2.080 1.00 0.51 H new ATOM 0 HE ARG A 16 14.265 1.124 -2.675 1.00 1.04 H new ATOM 0 HH11 ARG A 16 16.638 3.687 -3.228 1.00 0.97 H new ATOM 0 HH12 ARG A 16 15.856 4.257 -4.706 1.00 0.97 H new ATOM 0 HH21 ARG A 16 13.335 1.791 -4.654 1.00 1.88 H new ATOM 0 HH22 ARG A 16 13.996 3.189 -5.508 1.00 1.88 H new ATOM 90 N MET A 17 16.698 -0.753 2.239 1.00 0.34 N ATOM 91 CA MET A 17 16.086 -2.036 2.547 1.00 0.35 C ATOM 92 C MET A 17 15.598 -2.089 3.991 1.00 0.31 C ATOM 93 O MET A 17 14.529 -2.631 4.274 1.00 0.31 O ATOM 94 CB MET A 17 17.068 -3.170 2.283 1.00 0.43 C ATOM 95 CG MET A 17 17.317 -3.414 0.806 1.00 0.50 C ATOM 96 SD MET A 17 18.597 -4.652 0.513 1.00 0.63 S ATOM 97 CE MET A 17 17.929 -6.055 1.405 1.00 1.78 C ATOM 0 H MET A 17 17.674 -0.810 1.947 1.00 0.34 H new ATOM 0 HA MET A 17 15.221 -2.155 1.895 1.00 0.35 H new ATOM 0 HB2 MET A 17 18.015 -2.943 2.772 1.00 0.43 H new ATOM 0 HB3 MET A 17 16.687 -4.085 2.737 1.00 0.43 H new ATOM 0 HG2 MET A 17 16.389 -3.737 0.334 1.00 0.50 H new ATOM 0 HG3 MET A 17 17.607 -2.477 0.331 1.00 0.50 H new ATOM 0 HE1 MET A 17 18.241 -6.978 0.917 1.00 1.78 H new ATOM 0 HE2 MET A 17 18.298 -6.043 2.431 1.00 1.78 H new ATOM 0 HE3 MET A 17 16.841 -5.998 1.411 1.00 1.78 H new ATOM 107 N LYS A 18 16.368 -1.524 4.910 1.00 0.31 N ATOM 108 CA LYS A 18 15.933 -1.476 6.294 1.00 0.32 C ATOM 109 C LYS A 18 14.841 -0.433 6.484 1.00 0.28 C ATOM 110 O LYS A 18 13.965 -0.604 7.314 1.00 0.31 O ATOM 111 CB LYS A 18 17.086 -1.229 7.274 1.00 0.39 C ATOM 112 CG LYS A 18 17.820 0.092 7.096 1.00 0.48 C ATOM 113 CD LYS A 18 18.413 0.564 8.413 1.00 0.64 C ATOM 114 CE LYS A 18 19.366 -0.463 9.011 1.00 1.12 C ATOM 115 NZ LYS A 18 20.525 -0.739 8.124 1.00 1.61 N ATOM 0 H LYS A 18 17.278 -1.101 4.726 1.00 0.31 H new ATOM 0 HA LYS A 18 15.528 -2.462 6.524 1.00 0.32 H new ATOM 0 HB2 LYS A 18 16.693 -1.273 8.290 1.00 0.39 H new ATOM 0 HB3 LYS A 18 17.806 -2.042 7.175 1.00 0.39 H new ATOM 0 HG2 LYS A 18 18.612 -0.024 6.357 1.00 0.48 H new ATOM 0 HG3 LYS A 18 17.133 0.846 6.711 1.00 0.48 H new ATOM 0 HD2 LYS A 18 18.944 1.503 8.256 1.00 0.64 H new ATOM 0 HD3 LYS A 18 17.609 0.767 9.120 1.00 0.64 H new ATOM 0 HE2 LYS A 18 19.726 -0.103 9.975 1.00 1.12 H new ATOM 0 HE3 LYS A 18 18.826 -1.391 9.199 1.00 1.12 H new ATOM 0 HZ1 LYS A 18 21.196 -1.364 8.614 1.00 1.61 H new ATOM 0 HZ2 LYS A 18 20.194 -1.201 7.253 1.00 1.61 H new ATOM 0 HZ3 LYS A 18 20.998 0.155 7.883 1.00 1.61 H new ATOM 129 N LYS A 19 14.890 0.656 5.731 1.00 0.25 N ATOM 130 CA LYS A 19 13.886 1.702 5.870 1.00 0.24 C ATOM 131 C LYS A 19 12.561 1.267 5.246 1.00 0.19 C ATOM 132 O LYS A 19 11.492 1.540 5.790 1.00 0.22 O ATOM 133 CB LYS A 19 14.362 3.015 5.246 1.00 0.27 C ATOM 134 CG LYS A 19 14.190 4.224 6.163 1.00 0.33 C ATOM 135 CD LYS A 19 12.752 4.371 6.641 1.00 0.38 C ATOM 136 CE LYS A 19 12.591 5.508 7.641 1.00 0.47 C ATOM 137 NZ LYS A 19 12.784 6.844 7.018 1.00 0.99 N ATOM 0 H LYS A 19 15.604 0.838 5.026 1.00 0.25 H new ATOM 0 HA LYS A 19 13.730 1.871 6.936 1.00 0.24 H new ATOM 0 HB2 LYS A 19 15.414 2.920 4.977 1.00 0.27 H new ATOM 0 HB3 LYS A 19 13.811 3.189 4.322 1.00 0.27 H new ATOM 0 HG2 LYS A 19 14.851 4.124 7.024 1.00 0.33 H new ATOM 0 HG3 LYS A 19 14.491 5.128 5.633 1.00 0.33 H new ATOM 0 HD2 LYS A 19 12.103 4.549 5.784 1.00 0.38 H new ATOM 0 HD3 LYS A 19 12.426 3.437 7.100 1.00 0.38 H new ATOM 0 HE2 LYS A 19 11.597 5.458 8.086 1.00 0.47 H new ATOM 0 HE3 LYS A 19 13.310 5.381 8.450 1.00 0.47 H new ATOM 0 HZ1 LYS A 19 12.765 7.577 7.756 1.00 0.99 H new ATOM 0 HZ2 LYS A 19 13.701 6.869 6.528 1.00 0.99 H new ATOM 0 HZ3 LYS A 19 12.021 7.022 6.334 1.00 0.99 H new ATOM 151 N VAL A 20 12.633 0.578 4.116 1.00 0.16 N ATOM 152 CA VAL A 20 11.430 0.117 3.438 1.00 0.15 C ATOM 153 C VAL A 20 10.711 -0.938 4.259 1.00 0.17 C ATOM 154 O VAL A 20 9.495 -1.032 4.200 1.00 0.19 O ATOM 155 CB VAL A 20 11.694 -0.430 2.017 1.00 0.17 C ATOM 156 CG1 VAL A 20 12.294 0.643 1.124 1.00 0.18 C ATOM 157 CG2 VAL A 20 12.585 -1.656 2.054 1.00 0.21 C ATOM 0 H VAL A 20 13.506 0.327 3.652 1.00 0.16 H new ATOM 0 HA VAL A 20 10.799 1.000 3.333 1.00 0.15 H new ATOM 0 HB VAL A 20 10.734 -0.727 1.596 1.00 0.17 H new ATOM 0 HG11 VAL A 20 12.470 0.232 0.130 1.00 0.18 H new ATOM 0 HG12 VAL A 20 11.604 1.484 1.052 1.00 0.18 H new ATOM 0 HG13 VAL A 20 13.238 0.983 1.549 1.00 0.18 H new ATOM 0 HG21 VAL A 20 12.751 -2.016 1.039 1.00 0.21 H new ATOM 0 HG22 VAL A 20 13.541 -1.397 2.508 1.00 0.21 H new ATOM 0 HG23 VAL A 20 12.104 -2.438 2.642 1.00 0.21 H new ATOM 167 N MET A 21 11.455 -1.740 5.021 1.00 0.19 N ATOM 168 CA MET A 21 10.831 -2.747 5.864 1.00 0.25 C ATOM 169 C MET A 21 10.095 -2.075 7.021 1.00 0.25 C ATOM 170 O MET A 21 9.082 -2.583 7.502 1.00 0.27 O ATOM 171 CB MET A 21 11.843 -3.765 6.382 1.00 0.38 C ATOM 172 CG MET A 21 12.765 -3.214 7.429 1.00 1.02 C ATOM 173 SD MET A 21 13.715 -4.490 8.284 1.00 2.01 S ATOM 174 CE MET A 21 14.611 -5.230 6.919 1.00 2.72 C ATOM 0 H MET A 21 12.473 -1.710 5.069 1.00 0.19 H new ATOM 0 HA MET A 21 10.112 -3.295 5.255 1.00 0.25 H new ATOM 0 HB2 MET A 21 11.307 -4.620 6.795 1.00 0.38 H new ATOM 0 HB3 MET A 21 12.436 -4.134 5.545 1.00 0.38 H new ATOM 0 HG2 MET A 21 13.453 -2.509 6.963 1.00 1.02 H new ATOM 0 HG3 MET A 21 12.181 -2.654 8.160 1.00 1.02 H new ATOM 0 HE1 MET A 21 15.631 -5.454 7.232 1.00 2.72 H new ATOM 0 HE2 MET A 21 14.114 -6.151 6.615 1.00 2.72 H new ATOM 0 HE3 MET A 21 14.633 -4.535 6.079 1.00 2.72 H new ATOM 184 N GLN A 22 10.607 -0.926 7.451 1.00 0.26 N ATOM 185 CA GLN A 22 9.917 -0.098 8.441 1.00 0.29 C ATOM 186 C GLN A 22 8.588 0.369 7.859 1.00 0.26 C ATOM 187 O GLN A 22 7.531 0.213 8.475 1.00 0.31 O ATOM 188 CB GLN A 22 10.754 1.130 8.823 1.00 0.33 C ATOM 189 CG GLN A 22 12.227 0.839 9.052 1.00 0.40 C ATOM 190 CD GLN A 22 13.030 2.086 9.373 1.00 0.60 C ATOM 191 OE1 GLN A 22 14.251 2.165 8.853 1.00 1.05 O flip ATOM 192 NE2 GLN A 22 12.539 3.001 10.031 1.00 0.52 N flip ATOM 0 H GLN A 22 11.497 -0.545 7.131 1.00 0.26 H new ATOM 0 HA GLN A 22 9.756 -0.697 9.337 1.00 0.29 H new ATOM 0 HB2 GLN A 22 10.662 1.877 8.034 1.00 0.33 H new ATOM 0 HB3 GLN A 22 10.338 1.570 9.729 1.00 0.33 H new ATOM 0 HG2 GLN A 22 12.329 0.126 9.870 1.00 0.40 H new ATOM 0 HG3 GLN A 22 12.641 0.364 8.163 1.00 0.40 H new ATOM 0 HE21 GLN A 22 11.599 2.906 10.415 1.00 0.52 H new ATOM 0 HE22 GLN A 22 13.072 3.856 10.193 1.00 0.52 H new ATOM 201 N TYR A 23 8.657 0.923 6.647 1.00 0.20 N ATOM 202 CA TYR A 23 7.466 1.369 5.934 1.00 0.19 C ATOM 203 C TYR A 23 6.551 0.191 5.638 1.00 0.17 C ATOM 204 O TYR A 23 5.333 0.317 5.668 1.00 0.18 O ATOM 205 CB TYR A 23 7.839 2.067 4.622 1.00 0.17 C ATOM 206 CG TYR A 23 8.506 3.410 4.806 1.00 0.21 C ATOM 207 CD1 TYR A 23 9.766 3.661 4.283 1.00 0.24 C ATOM 208 CD2 TYR A 23 7.872 4.426 5.503 1.00 0.26 C ATOM 209 CE1 TYR A 23 10.377 4.885 4.453 1.00 0.29 C ATOM 210 CE2 TYR A 23 8.476 5.656 5.678 1.00 0.31 C ATOM 211 CZ TYR A 23 9.729 5.879 5.150 1.00 0.32 C ATOM 212 OH TYR A 23 10.346 7.096 5.333 1.00 0.38 O ATOM 0 H TYR A 23 9.530 1.072 6.140 1.00 0.20 H new ATOM 0 HA TYR A 23 6.944 2.081 6.574 1.00 0.19 H new ATOM 0 HB2 TYR A 23 8.505 1.417 4.054 1.00 0.17 H new ATOM 0 HB3 TYR A 23 6.937 2.200 4.024 1.00 0.17 H new ATOM 0 HD1 TYR A 23 10.277 2.884 3.733 1.00 0.24 H new ATOM 0 HD2 TYR A 23 6.889 4.253 5.916 1.00 0.26 H new ATOM 0 HE1 TYR A 23 11.359 5.063 4.041 1.00 0.29 H new ATOM 0 HE2 TYR A 23 7.970 6.437 6.225 1.00 0.31 H new ATOM 0 HH TYR A 23 10.944 7.276 4.578 1.00 0.38 H new ATOM 222 N ARG A 24 7.160 -0.954 5.359 1.00 0.17 N ATOM 223 CA ARG A 24 6.432 -2.172 5.044 1.00 0.17 C ATOM 224 C ARG A 24 5.504 -2.550 6.186 1.00 0.17 C ATOM 225 O ARG A 24 4.373 -2.960 5.961 1.00 0.19 O ATOM 226 CB ARG A 24 7.418 -3.310 4.758 1.00 0.18 C ATOM 227 CG ARG A 24 6.800 -4.514 4.067 1.00 0.21 C ATOM 228 CD ARG A 24 7.869 -5.519 3.669 1.00 0.25 C ATOM 229 NE ARG A 24 7.326 -6.619 2.875 1.00 0.33 N ATOM 230 CZ ARG A 24 7.760 -7.877 2.949 1.00 0.47 C ATOM 231 NH1 ARG A 24 8.720 -8.203 3.806 1.00 0.57 N ATOM 232 NH2 ARG A 24 7.238 -8.809 2.162 1.00 0.57 N ATOM 0 H ARG A 24 8.174 -1.063 5.345 1.00 0.17 H new ATOM 0 HA ARG A 24 5.826 -1.998 4.155 1.00 0.17 H new ATOM 0 HB2 ARG A 24 8.228 -2.926 4.138 1.00 0.18 H new ATOM 0 HB3 ARG A 24 7.863 -3.634 5.699 1.00 0.18 H new ATOM 0 HG2 ARG A 24 6.078 -4.989 4.732 1.00 0.21 H new ATOM 0 HG3 ARG A 24 6.253 -4.189 3.182 1.00 0.21 H new ATOM 0 HD2 ARG A 24 8.648 -5.012 3.099 1.00 0.25 H new ATOM 0 HD3 ARG A 24 8.341 -5.919 4.566 1.00 0.25 H new ATOM 0 HE ARG A 24 6.568 -6.411 2.224 1.00 0.33 H new ATOM 0 HH11 ARG A 24 9.128 -7.490 4.410 1.00 0.57 H new ATOM 0 HH12 ARG A 24 9.050 -9.167 3.860 1.00 0.57 H new ATOM 0 HH21 ARG A 24 6.503 -8.563 1.499 1.00 0.57 H new ATOM 0 HH22 ARG A 24 7.572 -9.771 2.220 1.00 0.57 H new ATOM 246 N ARG A 25 5.982 -2.386 7.411 1.00 0.18 N ATOM 247 CA ARG A 25 5.181 -2.680 8.592 1.00 0.18 C ATOM 248 C ARG A 25 4.020 -1.705 8.707 1.00 0.17 C ATOM 249 O ARG A 25 2.908 -2.079 9.075 1.00 0.20 O ATOM 250 CB ARG A 25 6.044 -2.607 9.841 1.00 0.22 C ATOM 251 CG ARG A 25 7.216 -3.564 9.803 1.00 0.32 C ATOM 252 CD ARG A 25 8.090 -3.402 11.021 1.00 0.73 C ATOM 253 NE ARG A 25 9.297 -4.223 10.938 1.00 1.44 N ATOM 254 CZ ARG A 25 10.464 -3.898 11.492 1.00 2.11 C ATOM 255 NH1 ARG A 25 10.592 -2.763 12.166 1.00 2.44 N ATOM 256 NH2 ARG A 25 11.505 -4.711 11.366 1.00 2.87 N ATOM 0 H ARG A 25 6.923 -2.050 7.614 1.00 0.18 H new ATOM 0 HA ARG A 25 4.780 -3.689 8.494 1.00 0.18 H new ATOM 0 HB2 ARG A 25 6.416 -1.589 9.961 1.00 0.22 H new ATOM 0 HB3 ARG A 25 5.430 -2.827 10.714 1.00 0.22 H new ATOM 0 HG2 ARG A 25 6.850 -4.589 9.748 1.00 0.32 H new ATOM 0 HG3 ARG A 25 7.805 -3.387 8.903 1.00 0.32 H new ATOM 0 HD2 ARG A 25 8.370 -2.354 11.130 1.00 0.73 H new ATOM 0 HD3 ARG A 25 7.525 -3.676 11.912 1.00 0.73 H new ATOM 0 HE ARG A 25 9.242 -5.101 10.423 1.00 1.44 H new ATOM 0 HH11 ARG A 25 9.795 -2.134 12.262 1.00 2.44 H new ATOM 0 HH12 ARG A 25 11.488 -2.519 12.588 1.00 2.44 H new ATOM 0 HH21 ARG A 25 11.411 -5.583 10.846 1.00 2.87 H new ATOM 0 HH22 ARG A 25 12.399 -4.464 11.790 1.00 2.87 H new ATOM 270 N ALA A 26 4.287 -0.455 8.364 1.00 0.17 N ATOM 271 CA ALA A 26 3.286 0.596 8.433 1.00 0.19 C ATOM 272 C ALA A 26 2.336 0.532 7.241 1.00 0.19 C ATOM 273 O ALA A 26 1.299 1.195 7.215 1.00 0.28 O ATOM 274 CB ALA A 26 3.967 1.947 8.493 1.00 0.23 C ATOM 0 H ALA A 26 5.199 -0.142 8.032 1.00 0.17 H new ATOM 0 HA ALA A 26 2.695 0.450 9.337 1.00 0.19 H new ATOM 0 HB1 ALA A 26 3.213 2.733 8.545 1.00 0.23 H new ATOM 0 HB2 ALA A 26 4.602 1.995 9.377 1.00 0.23 H new ATOM 0 HB3 ALA A 26 4.576 2.087 7.600 1.00 0.23 H new ATOM 280 N LEU A 27 2.716 -0.246 6.245 1.00 0.15 N ATOM 281 CA LEU A 27 1.874 -0.475 5.080 1.00 0.15 C ATOM 282 C LEU A 27 1.146 -1.812 5.193 1.00 0.17 C ATOM 283 O LEU A 27 0.118 -2.020 4.553 1.00 0.21 O ATOM 284 CB LEU A 27 2.720 -0.424 3.802 1.00 0.15 C ATOM 285 CG LEU A 27 2.813 0.947 3.105 1.00 0.15 C ATOM 286 CD1 LEU A 27 2.731 2.095 4.101 1.00 0.15 C ATOM 287 CD2 LEU A 27 4.109 1.046 2.317 1.00 0.16 C ATOM 0 H LEU A 27 3.611 -0.735 6.218 1.00 0.15 H new ATOM 0 HA LEU A 27 1.123 0.313 5.033 1.00 0.15 H new ATOM 0 HB2 LEU A 27 3.730 -0.754 4.046 1.00 0.15 H new ATOM 0 HB3 LEU A 27 2.312 -1.143 3.092 1.00 0.15 H new ATOM 0 HG LEU A 27 1.963 1.028 2.428 1.00 0.15 H new ATOM 0 HD11 LEU A 27 2.800 3.044 3.569 1.00 0.15 H new ATOM 0 HD12 LEU A 27 1.782 2.047 4.635 1.00 0.15 H new ATOM 0 HD13 LEU A 27 3.552 2.018 4.814 1.00 0.15 H new ATOM 0 HD21 LEU A 27 4.164 2.019 1.828 1.00 0.16 H new ATOM 0 HD22 LEU A 27 4.956 0.931 2.994 1.00 0.16 H new ATOM 0 HD23 LEU A 27 4.137 0.259 1.563 1.00 0.16 H new ATOM 299 N THR A 28 1.671 -2.710 6.023 1.00 0.17 N ATOM 300 CA THR A 28 1.041 -4.004 6.237 1.00 0.15 C ATOM 301 C THR A 28 -0.163 -3.851 7.154 1.00 0.17 C ATOM 302 O THR A 28 -0.023 -3.688 8.368 1.00 0.19 O ATOM 303 CB THR A 28 2.029 -5.022 6.845 1.00 0.17 C ATOM 304 OG1 THR A 28 3.143 -5.210 5.962 1.00 0.20 O ATOM 305 CG2 THR A 28 1.352 -6.361 7.100 1.00 0.20 C ATOM 0 H THR A 28 2.529 -2.563 6.556 1.00 0.17 H new ATOM 0 HA THR A 28 0.719 -4.381 5.266 1.00 0.15 H new ATOM 0 HB THR A 28 2.378 -4.624 7.798 1.00 0.17 H new ATOM 0 HG1 THR A 28 3.781 -4.475 6.079 1.00 0.20 H new ATOM 0 HG21 THR A 28 2.073 -7.057 7.528 1.00 0.20 H new ATOM 0 HG22 THR A 28 0.523 -6.223 7.795 1.00 0.20 H new ATOM 0 HG23 THR A 28 0.974 -6.763 6.160 1.00 0.20 H new ATOM 313 N LYS A 29 -1.338 -3.926 6.561 1.00 0.17 N ATOM 314 CA LYS A 29 -2.588 -3.700 7.269 1.00 0.22 C ATOM 315 C LYS A 29 -3.682 -4.538 6.642 1.00 0.19 C ATOM 316 O LYS A 29 -3.524 -5.050 5.535 1.00 0.18 O ATOM 317 CB LYS A 29 -3.021 -2.225 7.193 1.00 0.31 C ATOM 318 CG LYS A 29 -2.515 -1.329 8.317 1.00 0.61 C ATOM 319 CD LYS A 29 -1.071 -0.916 8.120 1.00 0.72 C ATOM 320 CE LYS A 29 -0.645 0.127 9.136 1.00 0.44 C ATOM 321 NZ LYS A 29 -1.353 1.418 8.951 1.00 0.79 N ATOM 0 H LYS A 29 -1.456 -4.146 5.572 1.00 0.17 H new ATOM 0 HA LYS A 29 -2.430 -3.974 8.312 1.00 0.22 H new ATOM 0 HB2 LYS A 29 -2.679 -1.814 6.243 1.00 0.31 H new ATOM 0 HB3 LYS A 29 -4.110 -2.185 7.184 1.00 0.31 H new ATOM 0 HG2 LYS A 29 -3.140 -0.438 8.377 1.00 0.61 H new ATOM 0 HG3 LYS A 29 -2.614 -1.853 9.268 1.00 0.61 H new ATOM 0 HD2 LYS A 29 -0.427 -1.791 8.204 1.00 0.72 H new ATOM 0 HD3 LYS A 29 -0.940 -0.519 7.113 1.00 0.72 H new ATOM 0 HE2 LYS A 29 -0.837 -0.249 10.141 1.00 0.44 H new ATOM 0 HE3 LYS A 29 0.430 0.290 9.056 1.00 0.44 H new ATOM 0 HZ1 LYS A 29 -0.799 2.183 9.385 1.00 0.79 H new ATOM 0 HZ2 LYS A 29 -1.469 1.608 7.935 1.00 0.79 H new ATOM 0 HZ3 LYS A 29 -2.288 1.369 9.403 1.00 0.79 H new ATOM 335 N VAL A 30 -4.787 -4.664 7.343 1.00 0.22 N ATOM 336 CA VAL A 30 -5.980 -5.239 6.770 1.00 0.22 C ATOM 337 C VAL A 30 -6.931 -4.104 6.429 1.00 0.19 C ATOM 338 O VAL A 30 -7.216 -3.249 7.265 1.00 0.23 O ATOM 339 CB VAL A 30 -6.652 -6.270 7.708 1.00 0.30 C ATOM 340 CG1 VAL A 30 -5.815 -7.541 7.780 1.00 0.81 C ATOM 341 CG2 VAL A 30 -6.859 -5.693 9.101 1.00 1.03 C ATOM 0 H VAL A 30 -4.882 -4.374 8.316 1.00 0.22 H new ATOM 0 HA VAL A 30 -5.710 -5.792 5.870 1.00 0.22 H new ATOM 0 HB VAL A 30 -7.631 -6.514 7.296 1.00 0.30 H new ATOM 0 HG11 VAL A 30 -6.299 -8.258 8.443 1.00 0.81 H new ATOM 0 HG12 VAL A 30 -5.723 -7.973 6.783 1.00 0.81 H new ATOM 0 HG13 VAL A 30 -4.824 -7.302 8.165 1.00 0.81 H new ATOM 0 HG21 VAL A 30 -7.333 -6.440 9.738 1.00 1.03 H new ATOM 0 HG22 VAL A 30 -5.895 -5.413 9.526 1.00 1.03 H new ATOM 0 HG23 VAL A 30 -7.498 -4.812 9.039 1.00 1.03 H new ATOM 351 N VAL A 31 -7.366 -4.063 5.186 1.00 0.16 N ATOM 352 CA VAL A 31 -8.123 -2.935 4.675 1.00 0.15 C ATOM 353 C VAL A 31 -9.119 -3.398 3.620 1.00 0.15 C ATOM 354 O VAL A 31 -8.874 -4.362 2.914 1.00 0.18 O ATOM 355 CB VAL A 31 -7.157 -1.874 4.087 1.00 0.18 C ATOM 356 CG1 VAL A 31 -7.686 -1.273 2.800 1.00 0.18 C ATOM 357 CG2 VAL A 31 -6.881 -0.782 5.107 1.00 0.26 C ATOM 0 H VAL A 31 -7.207 -4.805 4.504 1.00 0.16 H new ATOM 0 HA VAL A 31 -8.682 -2.483 5.495 1.00 0.15 H new ATOM 0 HB VAL A 31 -6.223 -2.383 3.849 1.00 0.18 H new ATOM 0 HG11 VAL A 31 -6.977 -0.535 2.424 1.00 0.18 H new ATOM 0 HG12 VAL A 31 -7.818 -2.060 2.058 1.00 0.18 H new ATOM 0 HG13 VAL A 31 -8.645 -0.790 2.991 1.00 0.18 H new ATOM 0 HG21 VAL A 31 -6.201 -0.046 4.677 1.00 0.26 H new ATOM 0 HG22 VAL A 31 -7.817 -0.295 5.381 1.00 0.26 H new ATOM 0 HG23 VAL A 31 -6.426 -1.220 5.995 1.00 0.26 H new ATOM 367 N LYS A 32 -10.233 -2.712 3.509 1.00 0.14 N ATOM 368 CA LYS A 32 -11.255 -3.099 2.565 1.00 0.13 C ATOM 369 C LYS A 32 -11.203 -2.208 1.332 1.00 0.12 C ATOM 370 O LYS A 32 -11.325 -0.987 1.427 1.00 0.14 O ATOM 371 CB LYS A 32 -12.628 -3.032 3.227 1.00 0.14 C ATOM 372 CG LYS A 32 -13.652 -3.938 2.569 1.00 0.15 C ATOM 373 CD LYS A 32 -14.659 -3.149 1.752 1.00 0.26 C ATOM 374 CE LYS A 32 -15.747 -4.061 1.201 1.00 0.28 C ATOM 375 NZ LYS A 32 -16.918 -3.296 0.694 1.00 0.67 N ATOM 0 H LYS A 32 -10.454 -1.883 4.061 1.00 0.14 H new ATOM 0 HA LYS A 32 -11.074 -4.126 2.247 1.00 0.13 H new ATOM 0 HB2 LYS A 32 -12.532 -3.306 4.278 1.00 0.14 H new ATOM 0 HB3 LYS A 32 -12.989 -2.004 3.197 1.00 0.14 H new ATOM 0 HG2 LYS A 32 -13.143 -4.655 1.925 1.00 0.15 H new ATOM 0 HG3 LYS A 32 -14.174 -4.512 3.334 1.00 0.15 H new ATOM 0 HD2 LYS A 32 -15.109 -2.374 2.372 1.00 0.26 H new ATOM 0 HD3 LYS A 32 -14.151 -2.645 0.930 1.00 0.26 H new ATOM 0 HE2 LYS A 32 -15.336 -4.669 0.395 1.00 0.28 H new ATOM 0 HE3 LYS A 32 -16.074 -4.747 1.982 1.00 0.28 H new ATOM 0 HZ1 LYS A 32 -17.611 -3.954 0.283 1.00 0.67 H new ATOM 0 HZ2 LYS A 32 -17.359 -2.775 1.479 1.00 0.67 H new ATOM 0 HZ3 LYS A 32 -16.604 -2.624 -0.035 1.00 0.67 H new ATOM 389 N LEU A 33 -11.003 -2.827 0.180 1.00 0.12 N ATOM 390 CA LEU A 33 -10.942 -2.094 -1.076 1.00 0.13 C ATOM 391 C LEU A 33 -12.332 -1.892 -1.645 1.00 0.14 C ATOM 392 O LEU A 33 -13.193 -2.762 -1.518 1.00 0.16 O ATOM 393 CB LEU A 33 -10.068 -2.821 -2.100 1.00 0.16 C ATOM 394 CG LEU A 33 -8.570 -2.537 -1.996 1.00 0.18 C ATOM 395 CD1 LEU A 33 -7.796 -3.366 -3.010 1.00 0.21 C ATOM 396 CD2 LEU A 33 -8.299 -1.057 -2.213 1.00 0.18 C ATOM 0 H LEU A 33 -10.880 -3.835 0.088 1.00 0.12 H new ATOM 0 HA LEU A 33 -10.496 -1.122 -0.867 1.00 0.13 H new ATOM 0 HB2 LEU A 33 -10.226 -3.894 -1.992 1.00 0.16 H new ATOM 0 HB3 LEU A 33 -10.405 -2.548 -3.100 1.00 0.16 H new ATOM 0 HG LEU A 33 -8.236 -2.814 -0.996 1.00 0.18 H new ATOM 0 HD11 LEU A 33 -6.731 -3.150 -2.920 1.00 0.21 H new ATOM 0 HD12 LEU A 33 -7.968 -4.426 -2.821 1.00 0.21 H new ATOM 0 HD13 LEU A 33 -8.133 -3.118 -4.016 1.00 0.21 H new ATOM 0 HD21 LEU A 33 -7.228 -0.868 -2.136 1.00 0.18 H new ATOM 0 HD22 LEU A 33 -8.649 -0.764 -3.203 1.00 0.18 H new ATOM 0 HD23 LEU A 33 -8.825 -0.476 -1.456 1.00 0.18 H new ATOM 408 N LYS A 34 -12.550 -0.737 -2.259 1.00 0.15 N ATOM 409 CA LYS A 34 -13.839 -0.430 -2.871 1.00 0.19 C ATOM 410 C LYS A 34 -13.631 0.418 -4.114 1.00 0.21 C ATOM 411 O LYS A 34 -13.308 1.601 -4.016 1.00 0.23 O ATOM 412 CB LYS A 34 -14.752 0.345 -1.915 1.00 0.22 C ATOM 413 CG LYS A 34 -14.736 -0.137 -0.474 1.00 0.23 C ATOM 414 CD LYS A 34 -15.784 0.583 0.363 1.00 0.47 C ATOM 415 CE LYS A 34 -15.662 2.097 0.255 1.00 0.45 C ATOM 416 NZ LYS A 34 -16.792 2.794 0.921 1.00 0.84 N ATOM 0 H LYS A 34 -11.853 0.003 -2.347 1.00 0.15 H new ATOM 0 HA LYS A 34 -14.311 -1.380 -3.121 1.00 0.19 H new ATOM 0 HB2 LYS A 34 -14.463 1.396 -1.933 1.00 0.22 H new ATOM 0 HB3 LYS A 34 -15.774 0.289 -2.289 1.00 0.22 H new ATOM 0 HG2 LYS A 34 -14.920 -1.211 -0.446 1.00 0.23 H new ATOM 0 HG3 LYS A 34 -13.748 0.028 -0.044 1.00 0.23 H new ATOM 0 HD2 LYS A 34 -16.779 0.276 0.040 1.00 0.47 H new ATOM 0 HD3 LYS A 34 -15.681 0.285 1.406 1.00 0.47 H new ATOM 0 HE2 LYS A 34 -14.722 2.418 0.704 1.00 0.45 H new ATOM 0 HE3 LYS A 34 -15.627 2.384 -0.796 1.00 0.45 H new ATOM 0 HZ1 LYS A 34 -16.671 3.822 0.825 1.00 0.84 H new ATOM 0 HZ2 LYS A 34 -17.687 2.508 0.476 1.00 0.84 H new ATOM 0 HZ3 LYS A 34 -16.810 2.541 1.930 1.00 0.84 H new ATOM 430 N THR A 35 -13.796 -0.180 -5.277 1.00 0.23 N ATOM 431 CA THR A 35 -13.644 0.546 -6.524 1.00 0.26 C ATOM 432 C THR A 35 -14.143 -0.305 -7.696 1.00 0.28 C ATOM 433 O THR A 35 -14.741 -1.360 -7.471 1.00 0.28 O ATOM 434 CB THR A 35 -12.167 0.991 -6.710 1.00 0.27 C ATOM 435 OG1 THR A 35 -11.963 1.614 -7.981 1.00 0.34 O ATOM 436 CG2 THR A 35 -11.213 -0.181 -6.551 1.00 0.27 C ATOM 0 H THR A 35 -14.035 -1.166 -5.386 1.00 0.23 H new ATOM 0 HA THR A 35 -14.254 1.449 -6.494 1.00 0.26 H new ATOM 0 HB THR A 35 -11.955 1.722 -5.929 1.00 0.27 H new ATOM 0 HG1 THR A 35 -11.020 1.864 -8.075 1.00 0.34 H new ATOM 0 HG21 THR A 35 -10.188 0.163 -6.687 1.00 0.27 H new ATOM 0 HG22 THR A 35 -11.323 -0.607 -5.554 1.00 0.27 H new ATOM 0 HG23 THR A 35 -11.443 -0.941 -7.298 1.00 0.27 H new ATOM 444 N HIS A 36 -13.903 0.139 -8.929 1.00 0.33 N ATOM 445 CA HIS A 36 -14.292 -0.617 -10.123 1.00 0.38 C ATOM 446 C HIS A 36 -13.599 -1.982 -10.140 1.00 0.34 C ATOM 447 O HIS A 36 -14.036 -2.912 -10.818 1.00 0.37 O ATOM 448 CB HIS A 36 -13.952 0.185 -11.387 1.00 0.48 C ATOM 449 CG HIS A 36 -14.167 -0.562 -12.670 1.00 1.31 C ATOM 450 ND1 HIS A 36 -13.142 -1.164 -13.369 1.00 2.07 N ATOM 451 CD2 HIS A 36 -15.294 -0.803 -13.380 1.00 2.25 C ATOM 452 CE1 HIS A 36 -13.630 -1.742 -14.449 1.00 2.94 C ATOM 453 NE2 HIS A 36 -14.933 -1.541 -14.480 1.00 3.02 N ATOM 0 H HIS A 36 -13.438 1.024 -9.130 1.00 0.33 H new ATOM 0 HA HIS A 36 -15.369 -0.785 -10.100 1.00 0.38 H new ATOM 0 HB2 HIS A 36 -14.558 1.091 -11.402 1.00 0.48 H new ATOM 0 HB3 HIS A 36 -12.910 0.500 -11.334 1.00 0.48 H new ATOM 0 HD2 HIS A 36 -16.292 -0.476 -13.128 1.00 2.25 H new ATOM 0 HE1 HIS A 36 -13.059 -2.288 -15.185 1.00 2.94 H new ATOM 0 HE2 HIS A 36 -15.569 -1.879 -15.203 1.00 3.02 H new ATOM 462 N LEU A 37 -12.536 -2.086 -9.364 1.00 0.32 N ATOM 463 CA LEU A 37 -11.831 -3.342 -9.169 1.00 0.33 C ATOM 464 C LEU A 37 -12.772 -4.337 -8.496 1.00 0.31 C ATOM 465 O LEU A 37 -13.196 -5.320 -9.105 1.00 0.36 O ATOM 466 CB LEU A 37 -10.607 -3.084 -8.281 1.00 0.38 C ATOM 467 CG LEU A 37 -9.711 -4.281 -7.977 1.00 0.46 C ATOM 468 CD1 LEU A 37 -8.914 -4.684 -9.207 1.00 1.00 C ATOM 469 CD2 LEU A 37 -8.790 -3.950 -6.806 1.00 0.32 C ATOM 0 H LEU A 37 -12.135 -1.301 -8.850 1.00 0.32 H new ATOM 0 HA LEU A 37 -11.503 -3.752 -10.124 1.00 0.33 H new ATOM 0 HB2 LEU A 37 -9.998 -2.316 -8.758 1.00 0.38 H new ATOM 0 HB3 LEU A 37 -10.956 -2.672 -7.334 1.00 0.38 H new ATOM 0 HG LEU A 37 -10.335 -5.131 -7.699 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -8.282 -5.539 -8.967 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -9.598 -4.953 -10.012 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -8.289 -3.849 -9.525 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -8.152 -4.807 -6.592 1.00 0.32 H new ATOM 0 HD22 LEU A 37 -8.170 -3.091 -7.062 1.00 0.32 H new ATOM 0 HD23 LEU A 37 -9.390 -3.715 -5.927 1.00 0.32 H new ATOM 481 N PHE A 38 -13.123 -4.039 -7.252 1.00 0.26 N ATOM 482 CA PHE A 38 -14.077 -4.827 -6.484 1.00 0.26 C ATOM 483 C PHE A 38 -14.273 -4.186 -5.124 1.00 0.23 C ATOM 484 O PHE A 38 -13.738 -3.106 -4.856 1.00 0.22 O ATOM 485 CB PHE A 38 -13.606 -6.283 -6.314 1.00 0.27 C ATOM 486 CG PHE A 38 -12.198 -6.439 -5.793 1.00 0.32 C ATOM 487 CD1 PHE A 38 -11.228 -7.039 -6.577 1.00 0.73 C ATOM 488 CD2 PHE A 38 -11.847 -5.996 -4.527 1.00 0.67 C ATOM 489 CE1 PHE A 38 -9.939 -7.194 -6.111 1.00 0.82 C ATOM 490 CE2 PHE A 38 -10.558 -6.147 -4.056 1.00 0.71 C ATOM 491 CZ PHE A 38 -9.604 -6.746 -4.849 1.00 0.55 C ATOM 0 H PHE A 38 -12.750 -3.237 -6.744 1.00 0.26 H new ATOM 0 HA PHE A 38 -15.021 -4.848 -7.029 1.00 0.26 H new ATOM 0 HB2 PHE A 38 -14.288 -6.793 -5.634 1.00 0.27 H new ATOM 0 HB3 PHE A 38 -13.679 -6.788 -7.277 1.00 0.27 H new ATOM 0 HD1 PHE A 38 -11.483 -7.390 -7.566 1.00 0.73 H new ATOM 0 HD2 PHE A 38 -12.592 -5.527 -3.901 1.00 0.67 H new ATOM 0 HE1 PHE A 38 -9.192 -7.665 -6.733 1.00 0.82 H new ATOM 0 HE2 PHE A 38 -10.298 -5.796 -3.068 1.00 0.71 H new ATOM 0 HZ PHE A 38 -8.595 -6.865 -4.484 1.00 0.55 H new ATOM 501 N SER A 39 -15.041 -4.840 -4.276 1.00 0.23 N ATOM 502 CA SER A 39 -15.168 -4.425 -2.899 1.00 0.22 C ATOM 503 C SER A 39 -14.924 -5.623 -1.990 1.00 0.22 C ATOM 504 O SER A 39 -15.821 -6.429 -1.752 1.00 0.28 O ATOM 505 CB SER A 39 -16.557 -3.832 -2.670 1.00 0.27 C ATOM 506 OG SER A 39 -17.560 -4.653 -3.242 1.00 0.34 O ATOM 0 H SER A 39 -15.588 -5.665 -4.521 1.00 0.23 H new ATOM 0 HA SER A 39 -14.429 -3.658 -2.667 1.00 0.22 H new ATOM 0 HB2 SER A 39 -16.738 -3.722 -1.601 1.00 0.27 H new ATOM 0 HB3 SER A 39 -16.607 -2.834 -3.106 1.00 0.27 H new ATOM 0 HG SER A 39 -17.430 -5.579 -2.950 1.00 0.34 H new ATOM 512 N GLU A 40 -13.712 -5.712 -1.460 1.00 0.20 N ATOM 513 CA GLU A 40 -13.287 -6.877 -0.688 1.00 0.24 C ATOM 514 C GLU A 40 -12.326 -6.456 0.409 1.00 0.18 C ATOM 515 O GLU A 40 -11.669 -5.422 0.306 1.00 0.15 O ATOM 516 CB GLU A 40 -12.575 -7.899 -1.585 1.00 0.33 C ATOM 517 CG GLU A 40 -13.442 -8.519 -2.670 1.00 0.47 C ATOM 518 CD GLU A 40 -14.538 -9.402 -2.114 1.00 1.15 C ATOM 519 OE1 GLU A 40 -14.263 -10.189 -1.186 1.00 1.45 O ATOM 520 OE2 GLU A 40 -15.679 -9.330 -2.617 1.00 2.08 O ATOM 0 H GLU A 40 -13.000 -4.987 -1.550 1.00 0.20 H new ATOM 0 HA GLU A 40 -14.179 -7.330 -0.256 1.00 0.24 H new ATOM 0 HB2 GLU A 40 -11.722 -7.413 -2.057 1.00 0.33 H new ATOM 0 HB3 GLU A 40 -12.180 -8.697 -0.957 1.00 0.33 H new ATOM 0 HG2 GLU A 40 -13.890 -7.725 -3.268 1.00 0.47 H new ATOM 0 HG3 GLU A 40 -12.813 -9.106 -3.339 1.00 0.47 H new ATOM 527 N THR A 41 -12.245 -7.264 1.449 1.00 0.20 N ATOM 528 CA THR A 41 -11.291 -7.040 2.515 1.00 0.19 C ATOM 529 C THR A 41 -9.944 -7.620 2.112 1.00 0.18 C ATOM 530 O THR A 41 -9.817 -8.823 1.894 1.00 0.23 O ATOM 531 CB THR A 41 -11.751 -7.696 3.824 1.00 0.25 C ATOM 532 OG1 THR A 41 -13.112 -7.334 4.104 1.00 0.32 O ATOM 533 CG2 THR A 41 -10.857 -7.276 4.983 1.00 0.27 C ATOM 0 H THR A 41 -12.834 -8.087 1.577 1.00 0.20 H new ATOM 0 HA THR A 41 -11.210 -5.966 2.680 1.00 0.19 H new ATOM 0 HB THR A 41 -11.682 -8.778 3.707 1.00 0.25 H new ATOM 0 HG1 THR A 41 -13.398 -7.758 4.940 1.00 0.32 H new ATOM 0 HG21 THR A 41 -11.202 -7.753 5.900 1.00 0.27 H new ATOM 0 HG22 THR A 41 -9.830 -7.581 4.780 1.00 0.27 H new ATOM 0 HG23 THR A 41 -10.898 -6.193 5.100 1.00 0.27 H new ATOM 541 N VAL A 42 -8.950 -6.766 1.992 1.00 0.16 N ATOM 542 CA VAL A 42 -7.648 -7.178 1.514 1.00 0.16 C ATOM 543 C VAL A 42 -6.579 -6.867 2.554 1.00 0.16 C ATOM 544 O VAL A 42 -6.747 -5.975 3.382 1.00 0.23 O ATOM 545 CB VAL A 42 -7.309 -6.461 0.181 1.00 0.15 C ATOM 546 CG1 VAL A 42 -8.466 -6.594 -0.799 1.00 0.16 C ATOM 547 CG2 VAL A 42 -6.970 -4.992 0.411 1.00 0.15 C ATOM 0 H VAL A 42 -9.020 -5.775 2.221 1.00 0.16 H new ATOM 0 HA VAL A 42 -7.671 -8.254 1.340 1.00 0.16 H new ATOM 0 HB VAL A 42 -6.429 -6.942 -0.245 1.00 0.15 H new ATOM 0 HG11 VAL A 42 -8.214 -6.086 -1.730 1.00 0.16 H new ATOM 0 HG12 VAL A 42 -8.653 -7.649 -1.000 1.00 0.16 H new ATOM 0 HG13 VAL A 42 -9.360 -6.142 -0.370 1.00 0.16 H new ATOM 0 HG21 VAL A 42 -6.737 -4.519 -0.543 1.00 0.15 H new ATOM 0 HG22 VAL A 42 -7.823 -4.489 0.867 1.00 0.15 H new ATOM 0 HG23 VAL A 42 -6.107 -4.917 1.073 1.00 0.15 H new ATOM 557 N LYS A 43 -5.498 -7.617 2.540 1.00 0.13 N ATOM 558 CA LYS A 43 -4.358 -7.279 3.365 1.00 0.14 C ATOM 559 C LYS A 43 -3.341 -6.557 2.511 1.00 0.13 C ATOM 560 O LYS A 43 -2.791 -7.134 1.578 1.00 0.15 O ATOM 561 CB LYS A 43 -3.724 -8.515 4.005 1.00 0.17 C ATOM 562 CG LYS A 43 -2.618 -8.165 4.994 1.00 0.26 C ATOM 563 CD LYS A 43 -2.004 -9.399 5.638 1.00 0.34 C ATOM 564 CE LYS A 43 -0.993 -10.081 4.729 1.00 0.89 C ATOM 565 NZ LYS A 43 0.252 -9.277 4.575 1.00 1.61 N ATOM 0 H LYS A 43 -5.384 -8.457 1.972 1.00 0.13 H new ATOM 0 HA LYS A 43 -4.698 -6.639 4.179 1.00 0.14 H new ATOM 0 HB2 LYS A 43 -4.495 -9.090 4.518 1.00 0.17 H new ATOM 0 HB3 LYS A 43 -3.317 -9.155 3.223 1.00 0.17 H new ATOM 0 HG2 LYS A 43 -1.839 -7.601 4.480 1.00 0.26 H new ATOM 0 HG3 LYS A 43 -3.021 -7.516 5.771 1.00 0.26 H new ATOM 0 HD2 LYS A 43 -1.517 -9.115 6.571 1.00 0.34 H new ATOM 0 HD3 LYS A 43 -2.795 -10.105 5.893 1.00 0.34 H new ATOM 0 HE2 LYS A 43 -0.743 -11.061 5.136 1.00 0.89 H new ATOM 0 HE3 LYS A 43 -1.441 -10.247 3.749 1.00 0.89 H new ATOM 0 HZ1 LYS A 43 1.002 -9.872 4.169 1.00 1.61 H new ATOM 0 HZ2 LYS A 43 0.069 -8.472 3.943 1.00 1.61 H new ATOM 0 HZ3 LYS A 43 0.555 -8.925 5.505 1.00 1.61 H new ATOM 579 N VAL A 44 -3.079 -5.312 2.841 1.00 0.13 N ATOM 580 CA VAL A 44 -2.201 -4.489 2.034 1.00 0.14 C ATOM 581 C VAL A 44 -0.825 -4.428 2.656 1.00 0.15 C ATOM 582 O VAL A 44 -0.659 -4.695 3.847 1.00 0.19 O ATOM 583 CB VAL A 44 -2.746 -3.055 1.845 1.00 0.20 C ATOM 584 CG1 VAL A 44 -3.338 -2.892 0.460 1.00 0.35 C ATOM 585 CG2 VAL A 44 -3.791 -2.719 2.895 1.00 0.25 C ATOM 0 H VAL A 44 -3.461 -4.845 3.663 1.00 0.13 H new ATOM 0 HA VAL A 44 -2.145 -4.954 1.050 1.00 0.14 H new ATOM 0 HB VAL A 44 -1.910 -2.365 1.961 1.00 0.20 H new ATOM 0 HG11 VAL A 44 -3.717 -1.877 0.344 1.00 0.35 H new ATOM 0 HG12 VAL A 44 -2.569 -3.080 -0.289 1.00 0.35 H new ATOM 0 HG13 VAL A 44 -4.155 -3.602 0.328 1.00 0.35 H new ATOM 0 HG21 VAL A 44 -4.155 -1.704 2.735 1.00 0.25 H new ATOM 0 HG22 VAL A 44 -4.623 -3.419 2.817 1.00 0.25 H new ATOM 0 HG23 VAL A 44 -3.346 -2.793 3.887 1.00 0.25 H new ATOM 595 N THR A 45 0.155 -4.113 1.832 1.00 0.15 N ATOM 596 CA THR A 45 1.547 -4.132 2.236 1.00 0.16 C ATOM 597 C THR A 45 2.411 -3.693 1.057 1.00 0.13 C ATOM 598 O THR A 45 1.894 -3.204 0.053 1.00 0.14 O ATOM 599 CB THR A 45 1.954 -5.556 2.694 1.00 0.19 C ATOM 600 OG1 THR A 45 3.264 -5.544 3.281 1.00 0.21 O ATOM 601 CG2 THR A 45 1.921 -6.543 1.529 1.00 0.20 C ATOM 0 H THR A 45 0.008 -3.836 0.861 1.00 0.15 H new ATOM 0 HA THR A 45 1.693 -3.448 3.072 1.00 0.16 H new ATOM 0 HB THR A 45 1.230 -5.879 3.442 1.00 0.19 H new ATOM 0 HG1 THR A 45 3.185 -5.565 4.258 1.00 0.21 H new ATOM 0 HG21 THR A 45 2.211 -7.533 1.882 1.00 0.20 H new ATOM 0 HG22 THR A 45 0.913 -6.586 1.117 1.00 0.20 H new ATOM 0 HG23 THR A 45 2.615 -6.216 0.755 1.00 0.20 H new ATOM 609 N CYS A 46 3.715 -3.857 1.177 1.00 0.15 N ATOM 610 CA CYS A 46 4.615 -3.567 0.082 1.00 0.14 C ATOM 611 C CYS A 46 5.661 -4.666 -0.033 1.00 0.15 C ATOM 612 O CYS A 46 5.839 -5.458 0.895 1.00 0.19 O ATOM 613 CB CYS A 46 5.278 -2.197 0.265 1.00 0.16 C ATOM 614 SG CYS A 46 6.212 -2.015 1.796 1.00 0.19 S ATOM 0 H CYS A 46 4.173 -4.190 2.025 1.00 0.15 H new ATOM 0 HA CYS A 46 4.040 -3.533 -0.843 1.00 0.14 H new ATOM 0 HB2 CYS A 46 5.946 -2.016 -0.577 1.00 0.16 H new ATOM 0 HB3 CYS A 46 4.507 -1.427 0.231 1.00 0.16 H new ATOM 0 HG CYS A 46 6.731 -0.824 1.849 1.00 0.19 H new ATOM 620 N SER A 47 6.326 -4.730 -1.177 1.00 0.19 N ATOM 621 CA SER A 47 7.354 -5.733 -1.412 1.00 0.27 C ATOM 622 C SER A 47 8.544 -5.521 -0.469 1.00 0.25 C ATOM 623 O SER A 47 8.621 -4.497 0.217 1.00 0.25 O ATOM 624 CB SER A 47 7.801 -5.689 -2.877 1.00 0.41 C ATOM 625 OG SER A 47 8.704 -6.741 -3.179 1.00 1.15 O ATOM 0 H SER A 47 6.171 -4.096 -1.961 1.00 0.19 H new ATOM 0 HA SER A 47 6.938 -6.719 -1.205 1.00 0.27 H new ATOM 0 HB2 SER A 47 6.929 -5.760 -3.527 1.00 0.41 H new ATOM 0 HB3 SER A 47 8.276 -4.730 -3.085 1.00 0.41 H new ATOM 0 HG SER A 47 8.968 -6.685 -4.121 1.00 1.15 H new ATOM 631 N LYS A 48 9.469 -6.475 -0.444 1.00 0.29 N ATOM 632 CA LYS A 48 10.584 -6.444 0.505 1.00 0.31 C ATOM 633 C LYS A 48 11.412 -5.174 0.368 1.00 0.27 C ATOM 634 O LYS A 48 11.699 -4.509 1.360 1.00 0.40 O ATOM 635 CB LYS A 48 11.488 -7.664 0.325 1.00 0.39 C ATOM 636 CG LYS A 48 10.876 -8.960 0.827 1.00 0.56 C ATOM 637 CD LYS A 48 11.873 -10.105 0.757 1.00 0.74 C ATOM 638 CE LYS A 48 11.300 -11.382 1.346 1.00 1.36 C ATOM 639 NZ LYS A 48 12.299 -12.481 1.378 1.00 2.10 N ATOM 0 H LYS A 48 9.471 -7.281 -1.069 1.00 0.29 H new ATOM 0 HA LYS A 48 10.148 -6.462 1.504 1.00 0.31 H new ATOM 0 HB2 LYS A 48 11.729 -7.773 -0.732 1.00 0.39 H new ATOM 0 HB3 LYS A 48 12.427 -7.489 0.850 1.00 0.39 H new ATOM 0 HG2 LYS A 48 10.539 -8.831 1.855 1.00 0.56 H new ATOM 0 HG3 LYS A 48 9.996 -9.204 0.231 1.00 0.56 H new ATOM 0 HD2 LYS A 48 12.157 -10.278 -0.281 1.00 0.74 H new ATOM 0 HD3 LYS A 48 12.781 -9.831 1.294 1.00 0.74 H new ATOM 0 HE2 LYS A 48 10.945 -11.186 2.358 1.00 1.36 H new ATOM 0 HE3 LYS A 48 10.436 -11.695 0.760 1.00 1.36 H new ATOM 0 HZ1 LYS A 48 11.865 -13.333 1.787 1.00 2.10 H new ATOM 0 HZ2 LYS A 48 12.620 -12.687 0.410 1.00 2.10 H new ATOM 0 HZ3 LYS A 48 13.113 -12.194 1.959 1.00 2.10 H new ATOM 653 N ASP A 49 11.772 -4.830 -0.862 1.00 0.27 N ATOM 654 CA ASP A 49 12.623 -3.669 -1.111 1.00 0.27 C ATOM 655 C ASP A 49 11.779 -2.401 -1.205 1.00 0.25 C ATOM 656 O ASP A 49 12.283 -1.331 -1.542 1.00 0.28 O ATOM 657 CB ASP A 49 13.430 -3.836 -2.405 1.00 0.36 C ATOM 658 CG ASP A 49 14.031 -5.219 -2.568 1.00 0.48 C ATOM 659 OD1 ASP A 49 15.174 -5.439 -2.115 1.00 0.71 O ATOM 660 OD2 ASP A 49 13.364 -6.092 -3.170 1.00 0.56 O ATOM 0 H ASP A 49 11.490 -5.335 -1.702 1.00 0.27 H new ATOM 0 HA ASP A 49 13.317 -3.586 -0.275 1.00 0.27 H new ATOM 0 HB2 ASP A 49 12.783 -3.627 -3.257 1.00 0.36 H new ATOM 0 HB3 ASP A 49 14.230 -3.096 -2.423 1.00 0.36 H new ATOM 665 N GLY A 50 10.488 -2.539 -0.912 1.00 0.23 N ATOM 666 CA GLY A 50 9.574 -1.409 -0.935 1.00 0.25 C ATOM 667 C GLY A 50 9.232 -0.933 -2.335 1.00 0.28 C ATOM 668 O GLY A 50 8.545 0.067 -2.495 1.00 0.43 O ATOM 0 H GLY A 50 10.054 -3.426 -0.656 1.00 0.23 H new ATOM 0 HA2 GLY A 50 8.654 -1.686 -0.419 1.00 0.25 H new ATOM 0 HA3 GLY A 50 10.016 -0.583 -0.377 1.00 0.25 H new ATOM 672 N GLU A 51 9.685 -1.666 -3.346 1.00 0.25 N ATOM 673 CA GLU A 51 9.517 -1.246 -4.736 1.00 0.30 C ATOM 674 C GLU A 51 8.063 -1.321 -5.203 1.00 0.22 C ATOM 675 O GLU A 51 7.665 -0.612 -6.128 1.00 0.27 O ATOM 676 CB GLU A 51 10.396 -2.098 -5.649 1.00 0.40 C ATOM 677 CG GLU A 51 11.884 -1.865 -5.451 1.00 0.74 C ATOM 678 CD GLU A 51 12.291 -0.428 -5.715 1.00 1.30 C ATOM 679 OE1 GLU A 51 12.229 0.006 -6.885 1.00 1.80 O ATOM 680 OE2 GLU A 51 12.693 0.266 -4.759 1.00 1.99 O ATOM 0 H GLU A 51 10.172 -2.555 -3.231 1.00 0.25 H new ATOM 0 HA GLU A 51 9.821 -0.201 -4.792 1.00 0.30 H new ATOM 0 HB2 GLU A 51 10.175 -3.151 -5.473 1.00 0.40 H new ATOM 0 HB3 GLU A 51 10.139 -1.887 -6.687 1.00 0.40 H new ATOM 0 HG2 GLU A 51 12.157 -2.134 -4.431 1.00 0.74 H new ATOM 0 HG3 GLU A 51 12.443 -2.525 -6.115 1.00 0.74 H new ATOM 687 N GLU A 52 7.269 -2.170 -4.572 1.00 0.24 N ATOM 688 CA GLU A 52 5.886 -2.364 -4.993 1.00 0.21 C ATOM 689 C GLU A 52 4.930 -2.375 -3.822 1.00 0.18 C ATOM 690 O GLU A 52 5.291 -2.781 -2.724 1.00 0.21 O ATOM 691 CB GLU A 52 5.733 -3.675 -5.753 1.00 0.27 C ATOM 692 CG GLU A 52 5.902 -3.532 -7.256 1.00 0.56 C ATOM 693 CD GLU A 52 5.780 -4.846 -7.992 1.00 0.97 C ATOM 694 OE1 GLU A 52 6.820 -5.406 -8.399 1.00 1.29 O ATOM 695 OE2 GLU A 52 4.643 -5.332 -8.159 1.00 1.49 O ATOM 0 H GLU A 52 7.553 -2.734 -3.771 1.00 0.24 H new ATOM 0 HA GLU A 52 5.639 -1.522 -5.640 1.00 0.21 H new ATOM 0 HB2 GLU A 52 6.467 -4.389 -5.380 1.00 0.27 H new ATOM 0 HB3 GLU A 52 4.748 -4.093 -5.545 1.00 0.27 H new ATOM 0 HG2 GLU A 52 5.152 -2.838 -7.636 1.00 0.56 H new ATOM 0 HG3 GLU A 52 6.877 -3.093 -7.466 1.00 0.56 H new ATOM 702 N VAL A 53 3.709 -1.938 -4.077 1.00 0.16 N ATOM 703 CA VAL A 53 2.625 -2.081 -3.124 1.00 0.16 C ATOM 704 C VAL A 53 1.848 -3.335 -3.483 1.00 0.18 C ATOM 705 O VAL A 53 1.618 -3.600 -4.661 1.00 0.34 O ATOM 706 CB VAL A 53 1.671 -0.865 -3.140 1.00 0.17 C ATOM 707 CG1 VAL A 53 0.596 -0.998 -2.070 1.00 0.20 C ATOM 708 CG2 VAL A 53 2.446 0.430 -2.962 1.00 0.21 C ATOM 0 H VAL A 53 3.443 -1.476 -4.947 1.00 0.16 H new ATOM 0 HA VAL A 53 3.048 -2.147 -2.122 1.00 0.16 H new ATOM 0 HB VAL A 53 1.178 -0.839 -4.112 1.00 0.17 H new ATOM 0 HG11 VAL A 53 -0.061 -0.129 -2.104 1.00 0.20 H new ATOM 0 HG12 VAL A 53 0.013 -1.901 -2.251 1.00 0.20 H new ATOM 0 HG13 VAL A 53 1.066 -1.060 -1.088 1.00 0.20 H new ATOM 0 HG21 VAL A 53 1.755 1.273 -2.976 1.00 0.21 H new ATOM 0 HG22 VAL A 53 2.974 0.410 -2.009 1.00 0.21 H new ATOM 0 HG23 VAL A 53 3.166 0.538 -3.773 1.00 0.21 H new ATOM 718 N GLN A 54 1.475 -4.123 -2.489 1.00 0.16 N ATOM 719 CA GLN A 54 0.831 -5.404 -2.747 1.00 0.16 C ATOM 720 C GLN A 54 -0.342 -5.619 -1.797 1.00 0.16 C ATOM 721 O GLN A 54 -0.409 -5.000 -0.737 1.00 0.24 O ATOM 722 CB GLN A 54 1.846 -6.538 -2.582 1.00 0.29 C ATOM 723 CG GLN A 54 3.263 -6.156 -2.987 1.00 0.68 C ATOM 724 CD GLN A 54 4.211 -7.332 -3.008 1.00 1.17 C ATOM 725 OE1 GLN A 54 4.826 -7.671 -2.000 1.00 2.12 O ATOM 726 NE2 GLN A 54 4.351 -7.950 -4.166 1.00 0.88 N ATOM 0 H GLN A 54 1.605 -3.902 -1.502 1.00 0.16 H new ATOM 0 HA GLN A 54 0.453 -5.401 -3.769 1.00 0.16 H new ATOM 0 HB2 GLN A 54 1.850 -6.861 -1.541 1.00 0.29 H new ATOM 0 HB3 GLN A 54 1.524 -7.391 -3.179 1.00 0.29 H new ATOM 0 HG2 GLN A 54 3.241 -5.697 -3.976 1.00 0.68 H new ATOM 0 HG3 GLN A 54 3.642 -5.404 -2.295 1.00 0.68 H new ATOM 0 HE21 GLN A 54 3.821 -7.636 -4.979 1.00 0.88 H new ATOM 0 HE22 GLN A 54 4.989 -8.741 -4.248 1.00 0.88 H new ATOM 735 N TRP A 55 -1.263 -6.493 -2.182 1.00 0.14 N ATOM 736 CA TRP A 55 -2.400 -6.823 -1.334 1.00 0.16 C ATOM 737 C TRP A 55 -2.847 -8.268 -1.516 1.00 0.17 C ATOM 738 O TRP A 55 -2.667 -8.870 -2.575 1.00 0.18 O ATOM 739 CB TRP A 55 -3.582 -5.874 -1.571 1.00 0.18 C ATOM 740 CG TRP A 55 -3.871 -5.587 -3.013 1.00 0.18 C ATOM 741 CD1 TRP A 55 -4.573 -6.360 -3.894 1.00 0.22 C ATOM 742 CD2 TRP A 55 -3.469 -4.422 -3.734 1.00 0.19 C ATOM 743 NE1 TRP A 55 -4.625 -5.745 -5.122 1.00 0.23 N ATOM 744 CE2 TRP A 55 -3.952 -4.552 -5.048 1.00 0.21 C ATOM 745 CE3 TRP A 55 -2.742 -3.282 -3.392 1.00 0.24 C ATOM 746 CZ2 TRP A 55 -3.731 -3.581 -6.018 1.00 0.24 C ATOM 747 CZ3 TRP A 55 -2.525 -2.320 -4.352 1.00 0.29 C ATOM 748 CH2 TRP A 55 -3.015 -2.471 -5.654 1.00 0.28 C ATOM 0 H TRP A 55 -1.245 -6.985 -3.075 1.00 0.14 H new ATOM 0 HA TRP A 55 -2.060 -6.699 -0.306 1.00 0.16 H new ATOM 0 HB2 TRP A 55 -4.473 -6.304 -1.114 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -3.383 -4.932 -1.059 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -5.021 -7.314 -3.660 1.00 0.22 H new ATOM 0 HE1 TRP A 55 -5.088 -6.115 -5.952 1.00 0.23 H new ATOM 0 HE3 TRP A 55 -2.356 -3.156 -2.391 1.00 0.24 H new ATOM 0 HZ2 TRP A 55 -4.110 -3.697 -7.023 1.00 0.24 H new ATOM 0 HZ3 TRP A 55 -1.966 -1.432 -4.096 1.00 0.29 H new ATOM 0 HH2 TRP A 55 -2.825 -1.699 -6.385 1.00 0.28 H new ATOM 759 N PHE A 56 -3.418 -8.811 -0.454 1.00 0.21 N ATOM 760 CA PHE A 56 -3.945 -10.164 -0.444 1.00 0.23 C ATOM 761 C PHE A 56 -5.462 -10.109 -0.290 1.00 0.23 C ATOM 762 O PHE A 56 -5.965 -9.648 0.734 1.00 0.26 O ATOM 763 CB PHE A 56 -3.339 -10.963 0.716 1.00 0.26 C ATOM 764 CG PHE A 56 -1.834 -11.057 0.701 1.00 0.30 C ATOM 765 CD1 PHE A 56 -1.197 -12.253 0.404 1.00 0.45 C ATOM 766 CD2 PHE A 56 -1.057 -9.943 0.970 1.00 0.37 C ATOM 767 CE1 PHE A 56 0.183 -12.334 0.379 1.00 0.53 C ATOM 768 CE2 PHE A 56 0.322 -10.021 0.947 1.00 0.44 C ATOM 769 CZ PHE A 56 0.941 -11.243 0.698 1.00 0.48 C ATOM 0 H PHE A 56 -3.529 -8.320 0.433 1.00 0.21 H new ATOM 0 HA PHE A 56 -3.685 -10.656 -1.381 1.00 0.23 H new ATOM 0 HB2 PHE A 56 -3.651 -10.506 1.655 1.00 0.26 H new ATOM 0 HB3 PHE A 56 -3.752 -11.972 0.699 1.00 0.26 H new ATOM 0 HD1 PHE A 56 -1.787 -13.132 0.190 1.00 0.45 H new ATOM 0 HD2 PHE A 56 -1.535 -9.002 1.200 1.00 0.37 H new ATOM 0 HE1 PHE A 56 0.663 -13.262 0.107 1.00 0.53 H new ATOM 0 HE2 PHE A 56 0.918 -9.137 1.122 1.00 0.44 H new ATOM 0 HZ PHE A 56 2.016 -11.328 0.757 1.00 0.48 H new ATOM 779 N LYS A 57 -6.185 -10.581 -1.293 1.00 0.28 N ATOM 780 CA LYS A 57 -7.639 -10.448 -1.317 1.00 0.29 C ATOM 781 C LYS A 57 -8.308 -11.519 -0.461 1.00 0.35 C ATOM 782 O LYS A 57 -8.143 -12.715 -0.707 1.00 0.54 O ATOM 783 CB LYS A 57 -8.156 -10.544 -2.750 1.00 0.35 C ATOM 784 CG LYS A 57 -7.503 -9.559 -3.703 1.00 0.36 C ATOM 785 CD LYS A 57 -7.817 -9.905 -5.149 1.00 0.55 C ATOM 786 CE LYS A 57 -6.991 -9.077 -6.122 1.00 0.95 C ATOM 787 NZ LYS A 57 -7.263 -9.451 -7.535 1.00 1.20 N ATOM 0 H LYS A 57 -5.792 -11.060 -2.103 1.00 0.28 H new ATOM 0 HA LYS A 57 -7.889 -9.470 -0.904 1.00 0.29 H new ATOM 0 HB2 LYS A 57 -7.991 -11.556 -3.119 1.00 0.35 H new ATOM 0 HB3 LYS A 57 -9.233 -10.376 -2.750 1.00 0.35 H new ATOM 0 HG2 LYS A 57 -7.852 -8.550 -3.483 1.00 0.36 H new ATOM 0 HG3 LYS A 57 -6.424 -9.563 -3.551 1.00 0.36 H new ATOM 0 HD2 LYS A 57 -7.624 -10.964 -5.319 1.00 0.55 H new ATOM 0 HD3 LYS A 57 -8.877 -9.739 -5.340 1.00 0.55 H new ATOM 0 HE2 LYS A 57 -7.211 -8.019 -5.977 1.00 0.95 H new ATOM 0 HE3 LYS A 57 -5.931 -9.214 -5.907 1.00 0.95 H new ATOM 0 HZ1 LYS A 57 -6.681 -8.865 -8.167 1.00 1.20 H new ATOM 0 HZ2 LYS A 57 -7.029 -10.454 -7.680 1.00 1.20 H new ATOM 0 HZ3 LYS A 57 -8.269 -9.296 -7.748 1.00 1.20 H new ATOM 801 N GLY A 58 -9.069 -11.085 0.533 1.00 0.38 N ATOM 802 CA GLY A 58 -9.747 -12.013 1.416 1.00 0.48 C ATOM 803 C GLY A 58 -8.797 -12.605 2.430 1.00 0.73 C ATOM 804 O GLY A 58 -8.427 -11.948 3.404 1.00 1.35 O ATOM 0 H GLY A 58 -9.230 -10.100 0.745 1.00 0.38 H new ATOM 0 HA2 GLY A 58 -10.558 -11.499 1.932 1.00 0.48 H new ATOM 0 HA3 GLY A 58 -10.198 -12.812 0.828 1.00 0.48 H new ATOM 808 N LYS A 59 -8.389 -13.839 2.195 1.00 0.99 N ATOM 809 CA LYS A 59 -7.391 -14.481 3.030 1.00 1.48 C ATOM 810 C LYS A 59 -6.006 -14.228 2.457 1.00 1.81 C ATOM 811 O LYS A 59 -5.841 -14.098 1.242 1.00 2.63 O ATOM 812 CB LYS A 59 -7.658 -15.983 3.129 1.00 1.89 C ATOM 813 CG LYS A 59 -8.928 -16.326 3.889 1.00 2.69 C ATOM 814 CD LYS A 59 -9.220 -17.818 3.852 1.00 3.35 C ATOM 815 CE LYS A 59 -8.102 -18.632 4.487 1.00 4.22 C ATOM 816 NZ LYS A 59 -8.385 -20.090 4.442 1.00 4.98 N ATOM 0 H LYS A 59 -8.735 -14.418 1.430 1.00 0.99 H new ATOM 0 HA LYS A 59 -7.446 -14.059 4.033 1.00 1.48 H new ATOM 0 HB2 LYS A 59 -7.723 -16.399 2.124 1.00 1.89 H new ATOM 0 HB3 LYS A 59 -6.811 -16.463 3.619 1.00 1.89 H new ATOM 0 HG2 LYS A 59 -8.832 -16.000 4.925 1.00 2.69 H new ATOM 0 HG3 LYS A 59 -9.768 -15.780 3.459 1.00 2.69 H new ATOM 0 HD2 LYS A 59 -10.156 -18.018 4.374 1.00 3.35 H new ATOM 0 HD3 LYS A 59 -9.358 -18.135 2.818 1.00 3.35 H new ATOM 0 HE2 LYS A 59 -7.165 -18.428 3.969 1.00 4.22 H new ATOM 0 HE3 LYS A 59 -7.969 -18.320 5.523 1.00 4.22 H new ATOM 0 HZ1 LYS A 59 -7.600 -20.610 4.884 1.00 4.98 H new ATOM 0 HZ2 LYS A 59 -9.266 -20.289 4.958 1.00 4.98 H new ATOM 0 HZ3 LYS A 59 -8.487 -20.393 3.453 1.00 4.98 H new ATOM 830 N SER A 60 -5.020 -14.140 3.330 1.00 1.73 N ATOM 831 CA SER A 60 -3.662 -13.866 2.911 1.00 2.21 C ATOM 832 C SER A 60 -3.023 -15.106 2.301 1.00 1.61 C ATOM 833 O SER A 60 -2.622 -16.023 3.021 1.00 2.01 O ATOM 834 CB SER A 60 -2.842 -13.371 4.099 1.00 3.22 C ATOM 835 OG SER A 60 -3.417 -12.199 4.650 1.00 3.89 O ATOM 0 H SER A 60 -5.137 -14.255 4.337 1.00 1.73 H new ATOM 0 HA SER A 60 -3.683 -13.089 2.147 1.00 2.21 H new ATOM 0 HB2 SER A 60 -2.789 -14.149 4.861 1.00 3.22 H new ATOM 0 HB3 SER A 60 -1.820 -13.166 3.782 1.00 3.22 H new ATOM 0 HG SER A 60 -3.365 -12.238 5.628 1.00 3.89 H new ATOM 841 N THR A 61 -2.968 -15.141 0.972 1.00 1.47 N ATOM 842 CA THR A 61 -2.310 -16.224 0.259 1.00 1.55 C ATOM 843 C THR A 61 -0.830 -16.260 0.628 1.00 1.39 C ATOM 844 O THR A 61 -0.025 -15.469 0.135 1.00 1.72 O ATOM 845 CB THR A 61 -2.473 -16.059 -1.265 1.00 2.37 C ATOM 846 OG1 THR A 61 -3.861 -15.865 -1.579 1.00 2.95 O ATOM 847 CG2 THR A 61 -1.953 -17.282 -2.006 1.00 2.95 C ATOM 0 H THR A 61 -3.374 -14.427 0.368 1.00 1.47 H new ATOM 0 HA THR A 61 -2.778 -17.165 0.550 1.00 1.55 H new ATOM 0 HB THR A 61 -1.893 -15.192 -1.581 1.00 2.37 H new ATOM 0 HG1 THR A 61 -3.965 -15.758 -2.548 1.00 2.95 H new ATOM 0 HG21 THR A 61 -2.080 -17.139 -3.079 1.00 2.95 H new ATOM 0 HG22 THR A 61 -0.896 -17.421 -1.781 1.00 2.95 H new ATOM 0 HG23 THR A 61 -2.510 -18.164 -1.689 1.00 2.95 H new ATOM 855 N ALA A 62 -0.479 -17.173 1.513 1.00 1.24 N ATOM 856 CA ALA A 62 0.849 -17.194 2.084 1.00 1.29 C ATOM 857 C ALA A 62 1.826 -17.957 1.200 1.00 1.32 C ATOM 858 O ALA A 62 2.034 -19.161 1.361 1.00 1.69 O ATOM 859 CB ALA A 62 0.803 -17.771 3.484 1.00 1.53 C ATOM 0 H ALA A 62 -1.098 -17.910 1.851 1.00 1.24 H new ATOM 0 HA ALA A 62 1.212 -16.168 2.145 1.00 1.29 H new ATOM 0 HB1 ALA A 62 1.808 -17.783 3.906 1.00 1.53 H new ATOM 0 HB2 ALA A 62 0.154 -17.158 4.109 1.00 1.53 H new ATOM 0 HB3 ALA A 62 0.414 -18.788 3.446 1.00 1.53 H new ATOM 865 N GLY A 63 2.417 -17.229 0.262 1.00 1.20 N ATOM 866 CA GLY A 63 3.398 -17.799 -0.637 1.00 1.25 C ATOM 867 C GLY A 63 4.628 -18.310 0.073 1.00 1.40 C ATOM 868 O GLY A 63 5.232 -17.592 0.873 1.00 1.99 O ATOM 0 H GLY A 63 2.229 -16.238 0.108 1.00 1.20 H new ATOM 0 HA2 GLY A 63 2.940 -18.618 -1.192 1.00 1.25 H new ATOM 0 HA3 GLY A 63 3.694 -17.045 -1.367 1.00 1.25 H new ATOM 872 N ALA A 64 4.981 -19.554 -0.223 1.00 1.55 N ATOM 873 CA ALA A 64 6.165 -20.204 0.335 1.00 1.66 C ATOM 874 C ALA A 64 6.146 -20.217 1.859 1.00 1.67 C ATOM 875 O ALA A 64 7.200 -20.209 2.495 1.00 1.74 O ATOM 876 CB ALA A 64 7.432 -19.536 -0.178 1.00 1.76 C ATOM 0 H ALA A 64 4.451 -20.147 -0.862 1.00 1.55 H new ATOM 0 HA ALA A 64 6.153 -21.242 0.002 1.00 1.66 H new ATOM 0 HB1 ALA A 64 8.303 -20.033 0.248 1.00 1.76 H new ATOM 0 HB2 ALA A 64 7.468 -19.609 -1.265 1.00 1.76 H new ATOM 0 HB3 ALA A 64 7.434 -18.486 0.115 1.00 1.76 H new ATOM 882 N GLN A 65 4.938 -20.219 2.434 1.00 1.68 N ATOM 883 CA GLN A 65 4.738 -20.331 3.886 1.00 1.79 C ATOM 884 C GLN A 65 5.120 -19.041 4.623 1.00 1.70 C ATOM 885 O GLN A 65 4.442 -18.644 5.570 1.00 1.80 O ATOM 886 CB GLN A 65 5.512 -21.530 4.442 1.00 2.01 C ATOM 887 CG GLN A 65 5.115 -22.845 3.793 1.00 2.23 C ATOM 888 CD GLN A 65 6.021 -23.991 4.186 1.00 2.86 C ATOM 889 OE1 GLN A 65 5.784 -24.681 5.175 1.00 3.24 O ATOM 890 NE2 GLN A 65 7.068 -24.204 3.406 1.00 3.33 N ATOM 0 H GLN A 65 4.069 -20.143 1.906 1.00 1.68 H new ATOM 0 HA GLN A 65 3.674 -20.491 4.058 1.00 1.79 H new ATOM 0 HB2 GLN A 65 6.580 -21.366 4.295 1.00 2.01 H new ATOM 0 HB3 GLN A 65 5.345 -21.597 5.517 1.00 2.01 H new ATOM 0 HG2 GLN A 65 4.089 -23.087 4.071 1.00 2.23 H new ATOM 0 HG3 GLN A 65 5.132 -22.730 2.709 1.00 2.23 H new ATOM 0 HE21 GLN A 65 7.229 -23.608 2.594 1.00 3.33 H new ATOM 0 HE22 GLN A 65 7.714 -24.964 3.616 1.00 3.33 H new ATOM 899 N ASP A 66 6.188 -18.381 4.176 1.00 1.62 N ATOM 900 CA ASP A 66 6.611 -17.104 4.752 1.00 1.65 C ATOM 901 C ASP A 66 5.733 -15.966 4.238 1.00 1.49 C ATOM 902 O ASP A 66 5.936 -14.797 4.565 1.00 1.59 O ATOM 903 CB ASP A 66 8.080 -16.819 4.432 1.00 1.78 C ATOM 904 CG ASP A 66 9.029 -17.743 5.165 1.00 2.25 C ATOM 905 OD1 ASP A 66 9.585 -17.327 6.202 1.00 2.32 O ATOM 906 OD2 ASP A 66 9.230 -18.888 4.707 1.00 2.86 O ATOM 0 H ASP A 66 6.779 -18.711 3.413 1.00 1.62 H new ATOM 0 HA ASP A 66 6.501 -17.172 5.834 1.00 1.65 H new ATOM 0 HB2 ASP A 66 8.239 -16.919 3.358 1.00 1.78 H new ATOM 0 HB3 ASP A 66 8.311 -15.786 4.694 1.00 1.78 H new ATOM 911 N ARG A 67 4.766 -16.352 3.406 1.00 1.32 N ATOM 912 CA ARG A 67 3.684 -15.487 2.939 1.00 1.23 C ATOM 913 C ARG A 67 4.174 -14.400 1.981 1.00 1.18 C ATOM 914 O ARG A 67 4.087 -13.210 2.280 1.00 1.31 O ATOM 915 CB ARG A 67 2.911 -14.857 4.117 1.00 1.40 C ATOM 916 CG ARG A 67 2.791 -15.759 5.342 1.00 1.60 C ATOM 917 CD ARG A 67 1.765 -15.237 6.332 1.00 1.84 C ATOM 918 NE ARG A 67 2.160 -13.966 6.930 1.00 2.26 N ATOM 919 CZ ARG A 67 1.315 -13.139 7.542 1.00 2.61 C ATOM 920 NH1 ARG A 67 0.018 -13.425 7.603 1.00 2.62 N ATOM 921 NH2 ARG A 67 1.767 -12.020 8.089 1.00 3.34 N ATOM 0 H ARG A 67 4.712 -17.298 3.029 1.00 1.32 H new ATOM 0 HA ARG A 67 3.002 -16.130 2.383 1.00 1.23 H new ATOM 0 HB2 ARG A 67 3.407 -13.931 4.409 1.00 1.40 H new ATOM 0 HB3 ARG A 67 1.910 -14.589 3.778 1.00 1.40 H new ATOM 0 HG2 ARG A 67 2.512 -16.764 5.026 1.00 1.60 H new ATOM 0 HG3 ARG A 67 3.762 -15.836 5.832 1.00 1.60 H new ATOM 0 HD2 ARG A 67 0.807 -15.115 5.827 1.00 1.84 H new ATOM 0 HD3 ARG A 67 1.617 -15.975 7.120 1.00 1.84 H new ATOM 0 HE ARG A 67 3.142 -13.695 6.876 1.00 2.26 H new ATOM 0 HH11 ARG A 67 -0.336 -14.283 7.179 1.00 2.62 H new ATOM 0 HH12 ARG A 67 -0.623 -12.787 8.074 1.00 2.62 H new ATOM 0 HH21 ARG A 67 2.760 -11.794 8.041 1.00 3.34 H new ATOM 0 HH22 ARG A 67 1.122 -11.385 8.558 1.00 3.34 H new ATOM 935 N LYS A 68 4.664 -14.816 0.811 1.00 1.12 N ATOM 936 CA LYS A 68 5.100 -13.863 -0.212 1.00 1.16 C ATOM 937 C LYS A 68 4.382 -14.117 -1.535 1.00 0.99 C ATOM 938 O LYS A 68 5.020 -14.258 -2.579 1.00 1.10 O ATOM 939 CB LYS A 68 6.612 -13.938 -0.466 1.00 1.39 C ATOM 940 CG LYS A 68 7.487 -13.773 0.768 1.00 1.77 C ATOM 941 CD LYS A 68 7.698 -15.094 1.496 1.00 2.01 C ATOM 942 CE LYS A 68 8.463 -16.105 0.649 1.00 2.02 C ATOM 943 NZ LYS A 68 9.810 -15.614 0.251 1.00 2.24 N ATOM 0 H LYS A 68 4.768 -15.796 0.550 1.00 1.12 H new ATOM 0 HA LYS A 68 4.852 -12.873 0.170 1.00 1.16 H new ATOM 0 HB2 LYS A 68 6.839 -14.899 -0.927 1.00 1.39 H new ATOM 0 HB3 LYS A 68 6.881 -13.167 -1.188 1.00 1.39 H new ATOM 0 HG2 LYS A 68 8.453 -13.361 0.476 1.00 1.77 H new ATOM 0 HG3 LYS A 68 7.026 -13.054 1.446 1.00 1.77 H new ATOM 0 HD2 LYS A 68 8.243 -14.913 2.422 1.00 2.01 H new ATOM 0 HD3 LYS A 68 6.730 -15.513 1.772 1.00 2.01 H new ATOM 0 HE2 LYS A 68 8.570 -17.035 1.208 1.00 2.02 H new ATOM 0 HE3 LYS A 68 7.885 -16.335 -0.246 1.00 2.02 H new ATOM 0 HZ1 LYS A 68 10.352 -16.393 -0.174 1.00 2.24 H new ATOM 0 HZ2 LYS A 68 9.708 -14.845 -0.441 1.00 2.24 H new ATOM 0 HZ3 LYS A 68 10.312 -15.260 1.090 1.00 2.24 H new ATOM 957 N LYS A 69 3.063 -14.188 -1.501 1.00 0.90 N ATOM 958 CA LYS A 69 2.288 -14.384 -2.718 1.00 0.80 C ATOM 959 C LYS A 69 1.020 -13.537 -2.686 1.00 0.61 C ATOM 960 O LYS A 69 -0.075 -14.033 -2.421 1.00 0.61 O ATOM 961 CB LYS A 69 1.965 -15.868 -2.901 1.00 0.99 C ATOM 962 CG LYS A 69 1.186 -16.192 -4.165 1.00 1.06 C ATOM 963 CD LYS A 69 0.995 -17.692 -4.327 1.00 1.68 C ATOM 964 CE LYS A 69 2.316 -18.401 -4.574 1.00 2.17 C ATOM 965 NZ LYS A 69 2.131 -19.856 -4.796 1.00 2.92 N ATOM 0 H LYS A 69 2.506 -14.114 -0.649 1.00 0.90 H new ATOM 0 HA LYS A 69 2.880 -14.059 -3.573 1.00 0.80 H new ATOM 0 HB2 LYS A 69 2.898 -16.432 -2.910 1.00 0.99 H new ATOM 0 HB3 LYS A 69 1.393 -16.211 -2.039 1.00 0.99 H new ATOM 0 HG2 LYS A 69 0.213 -15.701 -4.131 1.00 1.06 H new ATOM 0 HG3 LYS A 69 1.714 -15.795 -5.032 1.00 1.06 H new ATOM 0 HD2 LYS A 69 0.525 -18.098 -3.431 1.00 1.68 H new ATOM 0 HD3 LYS A 69 0.317 -17.885 -5.158 1.00 1.68 H new ATOM 0 HE2 LYS A 69 2.807 -17.961 -5.442 1.00 2.17 H new ATOM 0 HE3 LYS A 69 2.976 -18.245 -3.721 1.00 2.17 H new ATOM 0 HZ1 LYS A 69 3.056 -20.302 -4.961 1.00 2.92 H new ATOM 0 HZ2 LYS A 69 1.686 -20.281 -3.958 1.00 2.92 H new ATOM 0 HZ3 LYS A 69 1.522 -20.006 -5.625 1.00 2.92 H new ATOM 979 N PRO A 70 1.168 -12.228 -2.929 1.00 0.51 N ATOM 980 CA PRO A 70 0.043 -11.293 -2.969 1.00 0.39 C ATOM 981 C PRO A 70 -0.861 -11.546 -4.169 1.00 0.32 C ATOM 982 O PRO A 70 -0.420 -12.062 -5.200 1.00 0.40 O ATOM 983 CB PRO A 70 0.714 -9.915 -3.076 1.00 0.40 C ATOM 984 CG PRO A 70 2.145 -10.149 -2.729 1.00 0.53 C ATOM 985 CD PRO A 70 2.442 -11.544 -3.177 1.00 0.59 C ATOM 0 HA PRO A 70 -0.601 -11.390 -2.095 1.00 0.39 H new ATOM 0 HB2 PRO A 70 0.614 -9.506 -4.081 1.00 0.40 H new ATOM 0 HB3 PRO A 70 0.255 -9.200 -2.394 1.00 0.40 H new ATOM 0 HG2 PRO A 70 2.793 -9.430 -3.230 1.00 0.53 H new ATOM 0 HG3 PRO A 70 2.312 -10.037 -1.658 1.00 0.53 H new ATOM 0 HD2 PRO A 70 2.726 -11.582 -4.229 1.00 0.59 H new ATOM 0 HD3 PRO A 70 3.260 -11.988 -2.610 1.00 0.59 H new ATOM 993 N SER A 71 -2.122 -11.169 -4.034 1.00 0.28 N ATOM 994 CA SER A 71 -3.117 -11.422 -5.061 1.00 0.31 C ATOM 995 C SER A 71 -3.217 -10.226 -6.008 1.00 0.28 C ATOM 996 O SER A 71 -4.006 -10.225 -6.955 1.00 0.40 O ATOM 997 CB SER A 71 -4.469 -11.713 -4.398 1.00 0.41 C ATOM 998 OG SER A 71 -5.452 -12.095 -5.344 1.00 1.02 O ATOM 0 H SER A 71 -2.482 -10.682 -3.214 1.00 0.28 H new ATOM 0 HA SER A 71 -2.821 -12.290 -5.650 1.00 0.31 H new ATOM 0 HB2 SER A 71 -4.348 -12.506 -3.660 1.00 0.41 H new ATOM 0 HB3 SER A 71 -4.808 -10.827 -3.861 1.00 0.41 H new ATOM 0 HG SER A 71 -5.232 -11.709 -6.218 1.00 1.02 H new ATOM 1004 N GLY A 72 -2.412 -9.208 -5.741 1.00 0.24 N ATOM 1005 CA GLY A 72 -2.395 -8.032 -6.583 1.00 0.23 C ATOM 1006 C GLY A 72 -1.441 -6.984 -6.060 1.00 0.22 C ATOM 1007 O GLY A 72 -0.899 -7.128 -4.960 1.00 0.26 O ATOM 0 H GLY A 72 -1.767 -9.177 -4.951 1.00 0.24 H new ATOM 0 HA2 GLY A 72 -2.107 -8.314 -7.596 1.00 0.23 H new ATOM 0 HA3 GLY A 72 -3.399 -7.613 -6.643 1.00 0.23 H new ATOM 1011 N GLY A 73 -1.236 -5.934 -6.841 1.00 0.24 N ATOM 1012 CA GLY A 73 -0.348 -4.868 -6.432 1.00 0.29 C ATOM 1013 C GLY A 73 0.152 -4.053 -7.607 1.00 0.27 C ATOM 1014 O GLY A 73 -0.235 -4.303 -8.750 1.00 0.40 O ATOM 0 H GLY A 73 -1.671 -5.802 -7.754 1.00 0.24 H new ATOM 0 HA2 GLY A 73 -0.868 -4.213 -5.733 1.00 0.29 H new ATOM 0 HA3 GLY A 73 0.503 -5.292 -5.898 1.00 0.29 H new ATOM 1018 N PHE A 74 1.019 -3.086 -7.328 1.00 0.20 N ATOM 1019 CA PHE A 74 1.556 -2.199 -8.358 1.00 0.19 C ATOM 1020 C PHE A 74 2.818 -1.498 -7.850 1.00 0.19 C ATOM 1021 O PHE A 74 3.033 -1.402 -6.641 1.00 0.19 O ATOM 1022 CB PHE A 74 0.500 -1.166 -8.791 1.00 0.18 C ATOM 1023 CG PHE A 74 0.135 -0.141 -7.744 1.00 0.17 C ATOM 1024 CD1 PHE A 74 -0.315 -0.518 -6.489 1.00 0.20 C ATOM 1025 CD2 PHE A 74 0.229 1.207 -8.033 1.00 0.17 C ATOM 1026 CE1 PHE A 74 -0.662 0.434 -5.546 1.00 0.21 C ATOM 1027 CE2 PHE A 74 -0.115 2.160 -7.098 1.00 0.18 C ATOM 1028 CZ PHE A 74 -0.561 1.774 -5.852 1.00 0.18 C ATOM 0 H PHE A 74 1.368 -2.894 -6.389 1.00 0.20 H new ATOM 0 HA PHE A 74 1.820 -2.800 -9.228 1.00 0.19 H new ATOM 0 HB2 PHE A 74 0.867 -0.644 -9.675 1.00 0.18 H new ATOM 0 HB3 PHE A 74 -0.405 -1.697 -9.087 1.00 0.18 H new ATOM 0 HD1 PHE A 74 -0.396 -1.567 -6.244 1.00 0.20 H new ATOM 0 HD2 PHE A 74 0.577 1.519 -9.007 1.00 0.17 H new ATOM 0 HE1 PHE A 74 -1.012 0.127 -4.571 1.00 0.21 H new ATOM 0 HE2 PHE A 74 -0.035 3.209 -7.342 1.00 0.18 H new ATOM 0 HZ PHE A 74 -0.830 2.519 -5.118 1.00 0.18 H new ATOM 1038 N PRO A 75 3.673 -1.006 -8.766 1.00 0.20 N ATOM 1039 CA PRO A 75 4.944 -0.364 -8.409 1.00 0.20 C ATOM 1040 C PRO A 75 4.748 0.986 -7.729 1.00 0.19 C ATOM 1041 O PRO A 75 3.953 1.818 -8.171 1.00 0.20 O ATOM 1042 CB PRO A 75 5.655 -0.176 -9.756 1.00 0.23 C ATOM 1043 CG PRO A 75 4.884 -0.994 -10.736 1.00 0.25 C ATOM 1044 CD PRO A 75 3.479 -1.031 -10.222 1.00 0.22 C ATOM 0 HA PRO A 75 5.505 -0.967 -7.696 1.00 0.20 H new ATOM 0 HB2 PRO A 75 5.670 0.874 -10.048 1.00 0.23 H new ATOM 0 HB3 PRO A 75 6.692 -0.506 -9.701 1.00 0.23 H new ATOM 0 HG2 PRO A 75 4.924 -0.552 -11.732 1.00 0.25 H new ATOM 0 HG3 PRO A 75 5.297 -1.999 -10.817 1.00 0.25 H new ATOM 0 HD2 PRO A 75 2.897 -0.177 -10.569 1.00 0.22 H new ATOM 0 HD3 PRO A 75 2.952 -1.928 -10.546 1.00 0.22 H new ATOM 1052 N VAL A 76 5.511 1.196 -6.662 1.00 0.19 N ATOM 1053 CA VAL A 76 5.442 2.418 -5.872 1.00 0.18 C ATOM 1054 C VAL A 76 5.868 3.629 -6.691 1.00 0.19 C ATOM 1055 O VAL A 76 5.320 4.722 -6.550 1.00 0.19 O ATOM 1056 CB VAL A 76 6.342 2.307 -4.628 1.00 0.21 C ATOM 1057 CG1 VAL A 76 6.420 3.633 -3.896 1.00 0.30 C ATOM 1058 CG2 VAL A 76 5.835 1.215 -3.704 1.00 0.25 C ATOM 0 H VAL A 76 6.196 0.522 -6.321 1.00 0.19 H new ATOM 0 HA VAL A 76 4.405 2.550 -5.563 1.00 0.18 H new ATOM 0 HB VAL A 76 7.347 2.044 -4.957 1.00 0.21 H new ATOM 0 HG11 VAL A 76 7.062 3.528 -3.021 1.00 0.30 H new ATOM 0 HG12 VAL A 76 6.833 4.392 -4.561 1.00 0.30 H new ATOM 0 HG13 VAL A 76 5.421 3.933 -3.580 1.00 0.30 H new ATOM 0 HG21 VAL A 76 6.482 1.149 -2.829 1.00 0.25 H new ATOM 0 HG22 VAL A 76 4.819 1.449 -3.387 1.00 0.25 H new ATOM 0 HG23 VAL A 76 5.840 0.261 -4.231 1.00 0.25 H new ATOM 1068 N ASP A 77 6.839 3.417 -7.561 1.00 0.21 N ATOM 1069 CA ASP A 77 7.362 4.476 -8.415 1.00 0.24 C ATOM 1070 C ASP A 77 6.316 4.921 -9.437 1.00 0.23 C ATOM 1071 O ASP A 77 6.447 5.967 -10.076 1.00 0.30 O ATOM 1072 CB ASP A 77 8.615 3.963 -9.127 1.00 0.31 C ATOM 1073 CG ASP A 77 9.274 4.993 -10.020 1.00 0.73 C ATOM 1074 OD1 ASP A 77 10.005 5.853 -9.493 1.00 0.77 O ATOM 1075 OD2 ASP A 77 9.094 4.929 -11.255 1.00 1.29 O ATOM 0 H ASP A 77 7.288 2.511 -7.698 1.00 0.21 H new ATOM 0 HA ASP A 77 7.613 5.340 -7.800 1.00 0.24 H new ATOM 0 HB2 ASP A 77 9.335 3.629 -8.380 1.00 0.31 H new ATOM 0 HB3 ASP A 77 8.350 3.092 -9.726 1.00 0.31 H new ATOM 1080 N LYS A 78 5.264 4.124 -9.572 1.00 0.19 N ATOM 1081 CA LYS A 78 4.241 4.365 -10.579 1.00 0.20 C ATOM 1082 C LYS A 78 2.972 4.965 -9.973 1.00 0.17 C ATOM 1083 O LYS A 78 2.051 5.335 -10.700 1.00 0.18 O ATOM 1084 CB LYS A 78 3.916 3.062 -11.318 1.00 0.22 C ATOM 1085 CG LYS A 78 4.838 2.768 -12.499 1.00 0.28 C ATOM 1086 CD LYS A 78 6.303 2.741 -12.103 1.00 0.34 C ATOM 1087 CE LYS A 78 7.208 2.743 -13.326 1.00 0.47 C ATOM 1088 NZ LYS A 78 8.642 2.871 -12.957 1.00 1.54 N ATOM 0 H LYS A 78 5.097 3.301 -8.993 1.00 0.19 H new ATOM 0 HA LYS A 78 4.637 5.093 -11.287 1.00 0.20 H new ATOM 0 HB2 LYS A 78 3.972 2.233 -10.612 1.00 0.22 H new ATOM 0 HB3 LYS A 78 2.888 3.107 -11.676 1.00 0.22 H new ATOM 0 HG2 LYS A 78 4.566 1.808 -12.937 1.00 0.28 H new ATOM 0 HG3 LYS A 78 4.688 3.524 -13.270 1.00 0.28 H new ATOM 0 HD2 LYS A 78 6.529 3.606 -11.480 1.00 0.34 H new ATOM 0 HD3 LYS A 78 6.503 1.854 -11.502 1.00 0.34 H new ATOM 0 HE2 LYS A 78 7.059 1.821 -13.889 1.00 0.47 H new ATOM 0 HE3 LYS A 78 6.928 3.566 -13.983 1.00 0.47 H new ATOM 0 HZ1 LYS A 78 9.229 2.783 -13.811 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 8.806 3.799 -12.518 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 8.896 2.120 -12.284 1.00 1.54 H new ATOM 1102 N ILE A 79 2.914 5.056 -8.651 1.00 0.18 N ATOM 1103 CA ILE A 79 1.778 5.690 -7.992 1.00 0.16 C ATOM 1104 C ILE A 79 1.729 7.165 -8.368 1.00 0.18 C ATOM 1105 O ILE A 79 2.626 7.930 -8.012 1.00 0.26 O ATOM 1106 CB ILE A 79 1.851 5.591 -6.457 1.00 0.17 C ATOM 1107 CG1 ILE A 79 2.277 4.192 -6.010 1.00 0.18 C ATOM 1108 CG2 ILE A 79 0.500 5.953 -5.860 1.00 0.18 C ATOM 1109 CD1 ILE A 79 2.341 4.036 -4.507 1.00 0.19 C ATOM 0 H ILE A 79 3.632 4.703 -8.018 1.00 0.18 H new ATOM 0 HA ILE A 79 0.885 5.162 -8.327 1.00 0.16 H new ATOM 0 HB ILE A 79 2.604 6.293 -6.099 1.00 0.17 H new ATOM 0 HG12 ILE A 79 1.577 3.461 -6.414 1.00 0.18 H new ATOM 0 HG13 ILE A 79 3.255 3.965 -6.434 1.00 0.18 H new ATOM 0 HG21 ILE A 79 0.552 5.883 -4.773 1.00 0.18 H new ATOM 0 HG22 ILE A 79 0.237 6.971 -6.146 1.00 0.18 H new ATOM 0 HG23 ILE A 79 -0.259 5.264 -6.232 1.00 0.18 H new ATOM 0 HD11 ILE A 79 2.649 3.020 -4.259 1.00 0.19 H new ATOM 0 HD12 ILE A 79 3.062 4.744 -4.098 1.00 0.19 H new ATOM 0 HD13 ILE A 79 1.358 4.231 -4.079 1.00 0.19 H new ATOM 1121 N THR A 80 0.684 7.565 -9.079 1.00 0.15 N ATOM 1122 CA THR A 80 0.596 8.927 -9.569 1.00 0.18 C ATOM 1123 C THR A 80 0.088 9.873 -8.484 1.00 0.21 C ATOM 1124 O THR A 80 0.532 11.020 -8.392 1.00 0.28 O ATOM 1125 CB THR A 80 -0.291 9.031 -10.831 1.00 0.20 C ATOM 1126 OG1 THR A 80 -0.271 10.368 -11.344 1.00 0.27 O ATOM 1127 CG2 THR A 80 -1.726 8.622 -10.551 1.00 0.18 C ATOM 0 H THR A 80 -0.106 6.970 -9.326 1.00 0.15 H new ATOM 0 HA THR A 80 1.606 9.228 -9.847 1.00 0.18 H new ATOM 0 HB THR A 80 0.120 8.344 -11.570 1.00 0.20 H new ATOM 0 HG1 THR A 80 -0.835 10.420 -12.144 1.00 0.27 H new ATOM 0 HG21 THR A 80 -2.314 8.710 -11.464 1.00 0.18 H new ATOM 0 HG22 THR A 80 -1.749 7.589 -10.203 1.00 0.18 H new ATOM 0 HG23 THR A 80 -2.147 9.273 -9.784 1.00 0.18 H new ATOM 1135 N SER A 81 -0.831 9.396 -7.650 1.00 0.18 N ATOM 1136 CA SER A 81 -1.385 10.226 -6.592 1.00 0.21 C ATOM 1137 C SER A 81 -1.874 9.392 -5.412 1.00 0.17 C ATOM 1138 O SER A 81 -2.592 8.406 -5.589 1.00 0.19 O ATOM 1139 CB SER A 81 -2.544 11.068 -7.138 1.00 0.30 C ATOM 1140 OG SER A 81 -2.100 11.982 -8.130 1.00 0.88 O ATOM 0 H SER A 81 -1.204 8.447 -7.687 1.00 0.18 H new ATOM 0 HA SER A 81 -0.587 10.878 -6.236 1.00 0.21 H new ATOM 0 HB2 SER A 81 -3.305 10.412 -7.561 1.00 0.30 H new ATOM 0 HB3 SER A 81 -3.014 11.616 -6.321 1.00 0.30 H new ATOM 0 HG SER A 81 -2.862 12.503 -8.459 1.00 0.88 H new ATOM 1146 N VAL A 82 -1.475 9.797 -4.214 1.00 0.20 N ATOM 1147 CA VAL A 82 -2.019 9.239 -2.987 1.00 0.21 C ATOM 1148 C VAL A 82 -2.770 10.336 -2.260 1.00 0.21 C ATOM 1149 O VAL A 82 -2.175 11.238 -1.666 1.00 0.24 O ATOM 1150 CB VAL A 82 -0.926 8.649 -2.066 1.00 0.27 C ATOM 1151 CG1 VAL A 82 -1.502 8.273 -0.708 1.00 1.36 C ATOM 1152 CG2 VAL A 82 -0.286 7.438 -2.717 1.00 1.01 C ATOM 0 H VAL A 82 -0.769 10.518 -4.067 1.00 0.20 H new ATOM 0 HA VAL A 82 -2.683 8.415 -3.249 1.00 0.21 H new ATOM 0 HB VAL A 82 -0.163 9.413 -1.913 1.00 0.27 H new ATOM 0 HG11 VAL A 82 -0.713 7.861 -0.080 1.00 1.36 H new ATOM 0 HG12 VAL A 82 -1.919 9.160 -0.231 1.00 1.36 H new ATOM 0 HG13 VAL A 82 -2.287 7.529 -0.839 1.00 1.36 H new ATOM 0 HG21 VAL A 82 0.481 7.033 -2.057 1.00 1.01 H new ATOM 0 HG22 VAL A 82 -1.046 6.678 -2.898 1.00 1.01 H new ATOM 0 HG23 VAL A 82 0.167 7.731 -3.664 1.00 1.01 H new ATOM 1162 N LYS A 83 -4.081 10.255 -2.318 1.00 0.21 N ATOM 1163 CA LYS A 83 -4.930 11.326 -1.854 1.00 0.23 C ATOM 1164 C LYS A 83 -6.054 10.772 -1.000 1.00 0.22 C ATOM 1165 O LYS A 83 -6.282 9.562 -0.956 1.00 0.21 O ATOM 1166 CB LYS A 83 -5.503 12.075 -3.061 1.00 0.30 C ATOM 1167 CG LYS A 83 -5.075 11.472 -4.392 1.00 0.80 C ATOM 1168 CD LYS A 83 -6.242 11.344 -5.343 1.00 0.55 C ATOM 1169 CE LYS A 83 -5.946 10.360 -6.458 1.00 1.14 C ATOM 1170 NZ LYS A 83 -7.048 10.291 -7.449 1.00 1.70 N ATOM 0 H LYS A 83 -4.585 9.448 -2.686 1.00 0.21 H new ATOM 0 HA LYS A 83 -4.343 12.014 -1.246 1.00 0.23 H new ATOM 0 HB2 LYS A 83 -6.591 12.072 -3.000 1.00 0.30 H new ATOM 0 HB3 LYS A 83 -5.184 13.116 -3.021 1.00 0.30 H new ATOM 0 HG2 LYS A 83 -4.303 12.095 -4.843 1.00 0.80 H new ATOM 0 HG3 LYS A 83 -4.633 10.490 -4.222 1.00 0.80 H new ATOM 0 HD2 LYS A 83 -7.126 11.018 -4.794 1.00 0.55 H new ATOM 0 HD3 LYS A 83 -6.474 12.320 -5.770 1.00 0.55 H new ATOM 0 HE2 LYS A 83 -5.024 10.650 -6.962 1.00 1.14 H new ATOM 0 HE3 LYS A 83 -5.779 9.370 -6.033 1.00 1.14 H new ATOM 0 HZ1 LYS A 83 -6.968 9.410 -7.996 1.00 1.70 H new ATOM 0 HZ2 LYS A 83 -7.962 10.310 -6.953 1.00 1.70 H new ATOM 0 HZ3 LYS A 83 -6.987 11.105 -8.093 1.00 1.70 H new ATOM 1184 N SER A 84 -6.729 11.652 -0.301 1.00 0.26 N ATOM 1185 CA SER A 84 -7.892 11.276 0.458 1.00 0.26 C ATOM 1186 C SER A 84 -9.117 11.968 -0.126 1.00 0.29 C ATOM 1187 O SER A 84 -8.998 12.998 -0.792 1.00 0.32 O ATOM 1188 CB SER A 84 -7.694 11.628 1.932 1.00 0.30 C ATOM 1189 OG SER A 84 -7.457 13.017 2.103 1.00 0.72 O ATOM 0 H SER A 84 -6.488 12.642 -0.244 1.00 0.26 H new ATOM 0 HA SER A 84 -8.044 10.198 0.397 1.00 0.26 H new ATOM 0 HB2 SER A 84 -8.577 11.335 2.500 1.00 0.30 H new ATOM 0 HB3 SER A 84 -6.854 11.061 2.334 1.00 0.30 H new ATOM 0 HG SER A 84 -7.336 13.213 3.055 1.00 0.72 H new ATOM 1195 N GLN A 85 -10.277 11.369 0.079 1.00 0.30 N ATOM 1196 CA GLN A 85 -11.540 11.900 -0.432 1.00 0.37 C ATOM 1197 C GLN A 85 -11.854 13.291 0.125 1.00 0.44 C ATOM 1198 O GLN A 85 -11.096 13.829 0.927 1.00 0.47 O ATOM 1199 CB GLN A 85 -12.661 10.944 -0.065 1.00 0.37 C ATOM 1200 CG GLN A 85 -13.248 10.196 -1.242 1.00 0.41 C ATOM 1201 CD GLN A 85 -12.284 9.197 -1.849 1.00 0.39 C ATOM 1202 OE1 GLN A 85 -11.454 8.585 -1.018 1.00 0.46 O flip ATOM 1203 NE2 GLN A 85 -12.302 8.961 -3.051 1.00 0.34 N flip ATOM 0 H GLN A 85 -10.376 10.500 0.604 1.00 0.30 H new ATOM 0 HA GLN A 85 -11.450 11.995 -1.514 1.00 0.37 H new ATOM 0 HB2 GLN A 85 -12.285 10.222 0.659 1.00 0.37 H new ATOM 0 HB3 GLN A 85 -13.455 11.505 0.427 1.00 0.37 H new ATOM 0 HG2 GLN A 85 -14.149 9.674 -0.921 1.00 0.41 H new ATOM 0 HG3 GLN A 85 -13.550 10.912 -2.006 1.00 0.41 H new ATOM 0 HE21 GLN A 85 -12.957 9.454 -3.658 1.00 0.34 H new ATOM 0 HE22 GLN A 85 -11.662 8.271 -3.445 1.00 0.34 H new ATOM 1212 N ALA A 86 -12.978 13.863 -0.283 1.00 0.52 N ATOM 1213 CA ALA A 86 -13.360 15.193 0.178 1.00 0.61 C ATOM 1214 C ALA A 86 -13.622 15.192 1.680 1.00 0.67 C ATOM 1215 O ALA A 86 -13.148 16.069 2.404 1.00 0.72 O ATOM 1216 CB ALA A 86 -14.585 15.686 -0.576 1.00 0.71 C ATOM 0 H ALA A 86 -13.639 13.431 -0.929 1.00 0.52 H new ATOM 0 HA ALA A 86 -12.532 15.873 -0.022 1.00 0.61 H new ATOM 0 HB1 ALA A 86 -14.856 16.680 -0.219 1.00 0.71 H new ATOM 0 HB2 ALA A 86 -14.362 15.731 -1.642 1.00 0.71 H new ATOM 0 HB3 ALA A 86 -15.416 15.001 -0.408 1.00 0.71 H new ATOM 1222 N ASP A 87 -14.361 14.195 2.148 1.00 0.71 N ATOM 1223 CA ASP A 87 -14.616 14.046 3.580 1.00 0.80 C ATOM 1224 C ASP A 87 -13.723 12.953 4.156 1.00 0.65 C ATOM 1225 O ASP A 87 -13.343 13.000 5.325 1.00 0.69 O ATOM 1226 CB ASP A 87 -16.094 13.697 3.797 1.00 0.98 C ATOM 1227 CG ASP A 87 -16.394 13.187 5.192 1.00 1.32 C ATOM 1228 OD1 ASP A 87 -16.761 13.998 6.065 1.00 1.59 O ATOM 1229 OD2 ASP A 87 -16.288 11.962 5.415 1.00 1.50 O ATOM 0 H ASP A 87 -14.793 13.480 1.563 1.00 0.71 H new ATOM 0 HA ASP A 87 -14.390 14.982 4.091 1.00 0.80 H new ATOM 0 HB2 ASP A 87 -16.701 14.582 3.603 1.00 0.98 H new ATOM 0 HB3 ASP A 87 -16.392 12.941 3.070 1.00 0.98 H new ATOM 1234 N ASN A 88 -13.358 12.018 3.277 1.00 0.50 N ATOM 1235 CA ASN A 88 -12.397 10.930 3.537 1.00 0.37 C ATOM 1236 C ASN A 88 -12.344 10.438 4.989 1.00 0.39 C ATOM 1237 O ASN A 88 -11.261 10.158 5.500 1.00 0.44 O ATOM 1238 CB ASN A 88 -10.989 11.334 3.079 1.00 0.36 C ATOM 1239 CG ASN A 88 -10.342 12.428 3.923 1.00 0.49 C ATOM 1240 OD1 ASN A 88 -9.613 12.149 4.873 1.00 1.10 O ATOM 1241 ND2 ASN A 88 -10.573 13.676 3.563 1.00 1.14 N ATOM 0 H ASN A 88 -13.733 11.991 2.329 1.00 0.50 H new ATOM 0 HA ASN A 88 -12.769 10.088 2.953 1.00 0.37 H new ATOM 0 HB2 ASN A 88 -10.348 10.453 3.095 1.00 0.36 H new ATOM 0 HB3 ASN A 88 -11.040 11.672 2.044 1.00 0.36 H new ATOM 0 HD21 ASN A 88 -10.141 14.444 4.078 1.00 1.14 H new ATOM 0 HD22 ASN A 88 -11.183 13.873 2.770 1.00 1.14 H new ATOM 1248 N THR A 89 -13.492 10.294 5.645 1.00 0.43 N ATOM 1249 CA THR A 89 -13.503 9.794 7.014 1.00 0.48 C ATOM 1250 C THR A 89 -12.745 8.471 7.091 1.00 0.43 C ATOM 1251 O THR A 89 -11.691 8.387 7.722 1.00 0.48 O ATOM 1252 CB THR A 89 -14.939 9.629 7.555 1.00 0.58 C ATOM 1253 OG1 THR A 89 -15.568 10.914 7.656 1.00 0.68 O ATOM 1254 CG2 THR A 89 -14.942 8.956 8.921 1.00 0.67 C ATOM 0 H THR A 89 -14.410 10.512 5.259 1.00 0.43 H new ATOM 0 HA THR A 89 -13.004 10.531 7.643 1.00 0.48 H new ATOM 0 HB THR A 89 -15.491 8.997 6.860 1.00 0.58 H new ATOM 0 HG1 THR A 89 -16.132 11.065 6.869 1.00 0.68 H new ATOM 0 HG21 THR A 89 -15.968 8.855 9.274 1.00 0.67 H new ATOM 0 HG22 THR A 89 -14.486 7.969 8.841 1.00 0.67 H new ATOM 0 HG23 THR A 89 -14.374 9.562 9.626 1.00 0.67 H new ATOM 1262 N LYS A 90 -13.269 7.439 6.449 1.00 0.38 N ATOM 1263 CA LYS A 90 -12.532 6.194 6.337 1.00 0.35 C ATOM 1264 C LYS A 90 -12.134 5.885 4.894 1.00 0.29 C ATOM 1265 O LYS A 90 -11.670 4.783 4.600 1.00 0.32 O ATOM 1266 CB LYS A 90 -13.315 5.030 6.946 1.00 0.44 C ATOM 1267 CG LYS A 90 -14.707 4.837 6.364 1.00 0.68 C ATOM 1268 CD LYS A 90 -15.340 3.541 6.853 1.00 0.78 C ATOM 1269 CE LYS A 90 -15.328 3.439 8.372 1.00 1.07 C ATOM 1270 NZ LYS A 90 -16.152 4.494 9.014 1.00 1.47 N ATOM 0 H LYS A 90 -14.187 7.438 6.005 1.00 0.38 H new ATOM 0 HA LYS A 90 -11.611 6.322 6.906 1.00 0.35 H new ATOM 0 HB2 LYS A 90 -12.745 4.112 6.806 1.00 0.44 H new ATOM 0 HB3 LYS A 90 -13.403 5.190 8.021 1.00 0.44 H new ATOM 0 HG2 LYS A 90 -15.339 5.680 6.642 1.00 0.68 H new ATOM 0 HG3 LYS A 90 -14.650 4.827 5.276 1.00 0.68 H new ATOM 0 HD2 LYS A 90 -16.367 3.481 6.494 1.00 0.78 H new ATOM 0 HD3 LYS A 90 -14.804 2.693 6.428 1.00 0.78 H new ATOM 0 HE2 LYS A 90 -15.699 2.459 8.671 1.00 1.07 H new ATOM 0 HE3 LYS A 90 -14.302 3.514 8.731 1.00 1.07 H new ATOM 0 HZ1 LYS A 90 -16.141 4.364 10.046 1.00 1.47 H new ATOM 0 HZ2 LYS A 90 -15.763 5.429 8.779 1.00 1.47 H new ATOM 0 HZ3 LYS A 90 -17.130 4.429 8.668 1.00 1.47 H new ATOM 1284 N VAL A 91 -12.277 6.862 4.006 1.00 0.27 N ATOM 1285 CA VAL A 91 -12.141 6.606 2.573 1.00 0.25 C ATOM 1286 C VAL A 91 -10.860 7.207 1.990 1.00 0.22 C ATOM 1287 O VAL A 91 -10.718 8.428 1.895 1.00 0.31 O ATOM 1288 CB VAL A 91 -13.343 7.171 1.795 1.00 0.29 C ATOM 1289 CG1 VAL A 91 -13.395 6.586 0.393 1.00 0.35 C ATOM 1290 CG2 VAL A 91 -14.643 6.902 2.537 1.00 0.39 C ATOM 0 H VAL A 91 -12.485 7.831 4.247 1.00 0.27 H new ATOM 0 HA VAL A 91 -12.098 5.522 2.464 1.00 0.25 H new ATOM 0 HB VAL A 91 -13.217 8.251 1.712 1.00 0.29 H new ATOM 0 HG11 VAL A 91 -14.251 6.997 -0.141 1.00 0.35 H new ATOM 0 HG12 VAL A 91 -12.479 6.838 -0.141 1.00 0.35 H new ATOM 0 HG13 VAL A 91 -13.492 5.502 0.454 1.00 0.35 H new ATOM 0 HG21 VAL A 91 -15.478 7.310 1.968 1.00 0.39 H new ATOM 0 HG22 VAL A 91 -14.777 5.827 2.658 1.00 0.39 H new ATOM 0 HG23 VAL A 91 -14.607 7.375 3.518 1.00 0.39 H new ATOM 1300 N LEU A 92 -9.943 6.337 1.587 1.00 0.20 N ATOM 1301 CA LEU A 92 -8.709 6.746 0.914 1.00 0.17 C ATOM 1302 C LEU A 92 -8.856 6.575 -0.593 1.00 0.17 C ATOM 1303 O LEU A 92 -9.589 5.700 -1.037 1.00 0.19 O ATOM 1304 CB LEU A 92 -7.526 5.904 1.397 1.00 0.17 C ATOM 1305 CG LEU A 92 -6.820 6.385 2.668 1.00 0.18 C ATOM 1306 CD1 LEU A 92 -7.810 6.662 3.785 1.00 0.22 C ATOM 1307 CD2 LEU A 92 -5.787 5.362 3.113 1.00 0.19 C ATOM 0 H LEU A 92 -10.030 5.329 1.715 1.00 0.20 H new ATOM 0 HA LEU A 92 -8.524 7.794 1.152 1.00 0.17 H new ATOM 0 HB2 LEU A 92 -7.878 4.886 1.566 1.00 0.17 H new ATOM 0 HB3 LEU A 92 -6.790 5.857 0.594 1.00 0.17 H new ATOM 0 HG LEU A 92 -6.315 7.323 2.437 1.00 0.18 H new ATOM 0 HD11 LEU A 92 -7.273 7.001 4.671 1.00 0.22 H new ATOM 0 HD12 LEU A 92 -8.510 7.434 3.467 1.00 0.22 H new ATOM 0 HD13 LEU A 92 -8.358 5.750 4.020 1.00 0.22 H new ATOM 0 HD21 LEU A 92 -5.292 5.715 4.017 1.00 0.19 H new ATOM 0 HD22 LEU A 92 -6.280 4.412 3.317 1.00 0.19 H new ATOM 0 HD23 LEU A 92 -5.047 5.225 2.324 1.00 0.19 H new ATOM 1319 N VAL A 93 -8.171 7.402 -1.373 1.00 0.17 N ATOM 1320 CA VAL A 93 -8.224 7.293 -2.826 1.00 0.18 C ATOM 1321 C VAL A 93 -6.822 7.359 -3.443 1.00 0.17 C ATOM 1322 O VAL A 93 -6.156 8.395 -3.430 1.00 0.19 O ATOM 1323 CB VAL A 93 -9.152 8.374 -3.441 1.00 0.20 C ATOM 1324 CG1 VAL A 93 -8.863 9.749 -2.866 1.00 0.20 C ATOM 1325 CG2 VAL A 93 -9.046 8.394 -4.957 1.00 0.24 C ATOM 0 H VAL A 93 -7.574 8.153 -1.026 1.00 0.17 H new ATOM 0 HA VAL A 93 -8.647 6.317 -3.063 1.00 0.18 H new ATOM 0 HB VAL A 93 -10.175 8.109 -3.176 1.00 0.20 H new ATOM 0 HG11 VAL A 93 -9.531 10.481 -3.320 1.00 0.20 H new ATOM 0 HG12 VAL A 93 -9.021 9.733 -1.788 1.00 0.20 H new ATOM 0 HG13 VAL A 93 -7.829 10.022 -3.078 1.00 0.20 H new ATOM 0 HG21 VAL A 93 -9.708 9.162 -5.358 1.00 0.24 H new ATOM 0 HG22 VAL A 93 -8.018 8.613 -5.247 1.00 0.24 H new ATOM 0 HG23 VAL A 93 -9.336 7.421 -5.355 1.00 0.24 H new ATOM 1335 N ILE A 94 -6.378 6.231 -3.978 1.00 0.16 N ATOM 1336 CA ILE A 94 -5.049 6.123 -4.566 1.00 0.15 C ATOM 1337 C ILE A 94 -5.152 5.787 -6.050 1.00 0.15 C ATOM 1338 O ILE A 94 -5.873 4.873 -6.434 1.00 0.17 O ATOM 1339 CB ILE A 94 -4.193 5.042 -3.852 1.00 0.16 C ATOM 1340 CG1 ILE A 94 -3.679 5.542 -2.494 1.00 0.17 C ATOM 1341 CG2 ILE A 94 -3.024 4.600 -4.723 1.00 0.16 C ATOM 1342 CD1 ILE A 94 -4.748 5.672 -1.432 1.00 0.18 C ATOM 0 H ILE A 94 -6.924 5.370 -4.017 1.00 0.16 H new ATOM 0 HA ILE A 94 -4.558 7.088 -4.440 1.00 0.15 H new ATOM 0 HB ILE A 94 -4.840 4.182 -3.679 1.00 0.16 H new ATOM 0 HG12 ILE A 94 -2.909 4.858 -2.136 1.00 0.17 H new ATOM 0 HG13 ILE A 94 -3.203 6.512 -2.634 1.00 0.17 H new ATOM 0 HG21 ILE A 94 -2.443 3.843 -4.196 1.00 0.16 H new ATOM 0 HG22 ILE A 94 -3.403 4.183 -5.656 1.00 0.16 H new ATOM 0 HG23 ILE A 94 -2.388 5.458 -4.941 1.00 0.16 H new ATOM 0 HD11 ILE A 94 -4.299 6.030 -0.506 1.00 0.18 H new ATOM 0 HD12 ILE A 94 -5.507 6.380 -1.765 1.00 0.18 H new ATOM 0 HD13 ILE A 94 -5.209 4.700 -1.259 1.00 0.18 H new ATOM 1354 N THR A 95 -4.430 6.522 -6.876 1.00 0.14 N ATOM 1355 CA THR A 95 -4.430 6.277 -8.306 1.00 0.13 C ATOM 1356 C THR A 95 -3.005 6.022 -8.795 1.00 0.11 C ATOM 1357 O THR A 95 -2.047 6.599 -8.270 1.00 0.12 O ATOM 1358 CB THR A 95 -5.043 7.466 -9.071 1.00 0.16 C ATOM 1359 OG1 THR A 95 -6.314 7.811 -8.495 1.00 0.20 O ATOM 1360 CG2 THR A 95 -5.234 7.126 -10.543 1.00 0.16 C ATOM 0 H THR A 95 -3.835 7.295 -6.580 1.00 0.14 H new ATOM 0 HA THR A 95 -5.040 5.395 -8.499 1.00 0.13 H new ATOM 0 HB THR A 95 -4.358 8.311 -8.993 1.00 0.16 H new ATOM 0 HG1 THR A 95 -7.007 7.216 -8.851 1.00 0.20 H new ATOM 0 HG21 THR A 95 -5.668 7.981 -11.061 1.00 0.16 H new ATOM 0 HG22 THR A 95 -4.269 6.883 -10.989 1.00 0.16 H new ATOM 0 HG23 THR A 95 -5.902 6.269 -10.635 1.00 0.16 H new ATOM 1368 N VAL A 96 -2.863 5.152 -9.783 1.00 0.11 N ATOM 1369 CA VAL A 96 -1.560 4.819 -10.330 1.00 0.10 C ATOM 1370 C VAL A 96 -1.469 5.188 -11.815 1.00 0.11 C ATOM 1371 O VAL A 96 -2.458 5.109 -12.546 1.00 0.14 O ATOM 1372 CB VAL A 96 -1.252 3.320 -10.119 1.00 0.12 C ATOM 1373 CG1 VAL A 96 -2.458 2.463 -10.447 1.00 0.14 C ATOM 1374 CG2 VAL A 96 -0.061 2.883 -10.949 1.00 0.14 C ATOM 0 H VAL A 96 -3.641 4.662 -10.224 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.812 5.405 -9.796 1.00 0.10 H new ATOM 0 HB VAL A 96 -1.007 3.184 -9.066 1.00 0.12 H new ATOM 0 HG11 VAL A 96 -2.212 1.413 -10.289 1.00 0.14 H new ATOM 0 HG12 VAL A 96 -3.289 2.742 -9.800 1.00 0.14 H new ATOM 0 HG13 VAL A 96 -2.741 2.617 -11.488 1.00 0.14 H new ATOM 0 HG21 VAL A 96 0.132 1.824 -10.780 1.00 0.14 H new ATOM 0 HG22 VAL A 96 -0.273 3.049 -12.005 1.00 0.14 H new ATOM 0 HG23 VAL A 96 0.816 3.462 -10.660 1.00 0.14 H new ATOM 1384 N ASN A 97 -0.280 5.614 -12.243 1.00 0.14 N ATOM 1385 CA ASN A 97 -0.042 5.982 -13.636 1.00 0.23 C ATOM 1386 C ASN A 97 1.101 5.149 -14.215 1.00 0.34 C ATOM 1387 O ASN A 97 2.079 4.884 -13.515 1.00 0.81 O ATOM 1388 CB ASN A 97 0.288 7.472 -13.755 1.00 0.44 C ATOM 1389 CG ASN A 97 0.419 7.930 -15.195 1.00 1.14 C ATOM 1390 OD1 ASN A 97 1.494 7.861 -15.790 1.00 1.45 O ATOM 1391 ND2 ASN A 97 -0.678 8.407 -15.762 1.00 1.87 N ATOM 0 H ASN A 97 0.536 5.712 -11.640 1.00 0.14 H new ATOM 0 HA ASN A 97 -0.952 5.782 -14.201 1.00 0.23 H new ATOM 0 HB2 ASN A 97 -0.492 8.053 -13.263 1.00 0.44 H new ATOM 0 HB3 ASN A 97 1.219 7.677 -13.227 1.00 0.44 H new ATOM 0 HD21 ASN A 97 -0.652 8.735 -16.728 1.00 1.87 H new ATOM 0 HD22 ASN A 97 -1.549 8.447 -15.233 1.00 1.87 H new ATOM 1398 N ASN A 98 0.952 4.768 -15.492 1.00 0.42 N ATOM 1399 CA ASN A 98 1.896 3.912 -16.251 1.00 0.43 C ATOM 1400 C ASN A 98 1.396 2.457 -16.325 1.00 0.38 C ATOM 1401 O ASN A 98 1.163 1.961 -17.428 1.00 0.43 O ATOM 1402 CB ASN A 98 3.354 4.006 -15.763 1.00 0.51 C ATOM 1403 CG ASN A 98 4.294 3.098 -16.536 1.00 0.58 C ATOM 1404 OD1 ASN A 98 4.466 1.873 -16.064 1.00 0.75 O flip ATOM 1405 ND2 ASN A 98 4.869 3.497 -17.546 1.00 0.57 N flip ATOM 0 H ASN A 98 0.147 5.053 -16.050 1.00 0.42 H new ATOM 0 HA ASN A 98 1.915 4.310 -17.265 1.00 0.43 H new ATOM 0 HB2 ASN A 98 3.697 5.037 -15.853 1.00 0.51 H new ATOM 0 HB3 ASN A 98 3.395 3.748 -14.705 1.00 0.51 H new ATOM 0 HD21 ASN A 98 4.712 4.448 -17.880 1.00 0.57 H new ATOM 0 HD22 ASN A 98 5.503 2.877 -18.050 1.00 0.57 H new ATOM 1412 N PRO A 99 1.218 1.728 -15.191 1.00 0.35 N ATOM 1413 CA PRO A 99 0.440 0.484 -15.190 1.00 0.34 C ATOM 1414 C PRO A 99 -0.999 0.750 -15.608 1.00 0.30 C ATOM 1415 O PRO A 99 -1.396 1.905 -15.765 1.00 0.29 O ATOM 1416 CB PRO A 99 0.487 0.004 -13.737 1.00 0.36 C ATOM 1417 CG PRO A 99 1.680 0.669 -13.162 1.00 0.40 C ATOM 1418 CD PRO A 99 1.777 1.996 -13.855 1.00 0.38 C ATOM 0 HA PRO A 99 0.839 -0.251 -15.889 1.00 0.34 H new ATOM 0 HB2 PRO A 99 -0.419 0.281 -13.199 1.00 0.36 H new ATOM 0 HB3 PRO A 99 0.572 -1.081 -13.681 1.00 0.36 H new ATOM 0 HG2 PRO A 99 1.576 0.796 -12.084 1.00 0.40 H new ATOM 0 HG3 PRO A 99 2.578 0.074 -13.328 1.00 0.40 H new ATOM 0 HD2 PRO A 99 1.211 2.765 -13.330 1.00 0.38 H new ATOM 0 HD3 PRO A 99 2.808 2.344 -13.914 1.00 0.38 H new ATOM 1426 N GLN A 100 -1.771 -0.312 -15.794 1.00 0.34 N ATOM 1427 CA GLN A 100 -3.159 -0.177 -16.216 1.00 0.36 C ATOM 1428 C GLN A 100 -3.938 0.628 -15.176 1.00 0.32 C ATOM 1429 O GLN A 100 -4.166 0.155 -14.057 1.00 0.31 O ATOM 1430 CB GLN A 100 -3.790 -1.558 -16.403 1.00 0.46 C ATOM 1431 CG GLN A 100 -3.095 -2.402 -17.460 1.00 1.17 C ATOM 1432 CD GLN A 100 -3.642 -3.813 -17.544 1.00 1.25 C ATOM 1433 OE1 GLN A 100 -4.105 -4.374 -16.551 1.00 1.54 O ATOM 1434 NE2 GLN A 100 -3.579 -4.402 -18.727 1.00 1.87 N ATOM 0 H GLN A 100 -1.461 -1.274 -15.660 1.00 0.34 H new ATOM 0 HA GLN A 100 -3.193 0.350 -17.169 1.00 0.36 H new ATOM 0 HB2 GLN A 100 -3.769 -2.090 -15.452 1.00 0.46 H new ATOM 0 HB3 GLN A 100 -4.838 -1.436 -16.677 1.00 0.46 H new ATOM 0 HG2 GLN A 100 -3.201 -1.918 -18.431 1.00 1.17 H new ATOM 0 HG3 GLN A 100 -2.028 -2.444 -17.240 1.00 1.17 H new ATOM 0 HE21 GLN A 100 -3.188 -3.902 -19.525 1.00 1.87 H new ATOM 0 HE22 GLN A 100 -3.922 -5.356 -18.841 1.00 1.87 H new ATOM 1443 N PRO A 101 -4.329 1.865 -15.546 1.00 0.36 N ATOM 1444 CA PRO A 101 -4.923 2.845 -14.629 1.00 0.35 C ATOM 1445 C PRO A 101 -6.018 2.269 -13.747 1.00 0.32 C ATOM 1446 O PRO A 101 -7.066 1.835 -14.231 1.00 0.39 O ATOM 1447 CB PRO A 101 -5.500 3.902 -15.568 1.00 0.45 C ATOM 1448 CG PRO A 101 -4.631 3.844 -16.772 1.00 0.57 C ATOM 1449 CD PRO A 101 -4.217 2.405 -16.917 1.00 0.46 C ATOM 0 HA PRO A 101 -4.182 3.224 -13.925 1.00 0.35 H new ATOM 0 HB2 PRO A 101 -6.539 3.687 -15.818 1.00 0.45 H new ATOM 0 HB3 PRO A 101 -5.480 4.892 -15.112 1.00 0.45 H new ATOM 0 HG2 PRO A 101 -5.167 4.187 -17.657 1.00 0.57 H new ATOM 0 HG3 PRO A 101 -3.761 4.490 -16.657 1.00 0.57 H new ATOM 0 HD2 PRO A 101 -4.865 1.870 -17.611 1.00 0.46 H new ATOM 0 HD3 PRO A 101 -3.200 2.318 -17.299 1.00 0.46 H new ATOM 1457 N THR A 102 -5.755 2.254 -12.453 1.00 0.26 N ATOM 1458 CA THR A 102 -6.717 1.793 -11.474 1.00 0.25 C ATOM 1459 C THR A 102 -6.661 2.684 -10.239 1.00 0.21 C ATOM 1460 O THR A 102 -5.581 3.092 -9.809 1.00 0.22 O ATOM 1461 CB THR A 102 -6.435 0.335 -11.063 1.00 0.27 C ATOM 1462 OG1 THR A 102 -6.210 -0.471 -12.229 1.00 0.33 O ATOM 1463 CG2 THR A 102 -7.600 -0.236 -10.272 1.00 0.30 C ATOM 0 H THR A 102 -4.868 2.561 -12.053 1.00 0.26 H new ATOM 0 HA THR A 102 -7.709 1.841 -11.924 1.00 0.25 H new ATOM 0 HB THR A 102 -5.544 0.325 -10.435 1.00 0.27 H new ATOM 0 HG1 THR A 102 -5.371 -0.200 -12.657 1.00 0.33 H new ATOM 0 HG21 THR A 102 -7.380 -1.266 -9.992 1.00 0.30 H new ATOM 0 HG22 THR A 102 -7.755 0.359 -9.372 1.00 0.30 H new ATOM 0 HG23 THR A 102 -8.502 -0.211 -10.884 1.00 0.30 H new ATOM 1471 N THR A 103 -7.818 3.005 -9.687 1.00 0.21 N ATOM 1472 CA THR A 103 -7.883 3.799 -8.475 1.00 0.19 C ATOM 1473 C THR A 103 -8.378 2.944 -7.317 1.00 0.20 C ATOM 1474 O THR A 103 -9.476 2.394 -7.361 1.00 0.28 O ATOM 1475 CB THR A 103 -8.799 5.023 -8.661 1.00 0.20 C ATOM 1476 OG1 THR A 103 -8.315 5.836 -9.738 1.00 0.22 O ATOM 1477 CG2 THR A 103 -8.875 5.853 -7.388 1.00 0.22 C ATOM 0 H THR A 103 -8.726 2.727 -10.060 1.00 0.21 H new ATOM 0 HA THR A 103 -6.879 4.160 -8.251 1.00 0.19 H new ATOM 0 HB THR A 103 -9.801 4.662 -8.895 1.00 0.20 H new ATOM 0 HG1 THR A 103 -8.903 6.612 -9.852 1.00 0.22 H new ATOM 0 HG21 THR A 103 -9.529 6.710 -7.551 1.00 0.22 H new ATOM 0 HG22 THR A 103 -9.273 5.242 -6.578 1.00 0.22 H new ATOM 0 HG23 THR A 103 -7.878 6.203 -7.122 1.00 0.22 H new ATOM 1485 N TYR A 104 -7.554 2.828 -6.292 1.00 0.17 N ATOM 1486 CA TYR A 104 -7.849 1.970 -5.162 1.00 0.18 C ATOM 1487 C TYR A 104 -8.316 2.792 -3.976 1.00 0.19 C ATOM 1488 O TYR A 104 -7.640 3.733 -3.555 1.00 0.20 O ATOM 1489 CB TYR A 104 -6.608 1.166 -4.781 1.00 0.19 C ATOM 1490 CG TYR A 104 -6.040 0.377 -5.935 1.00 0.20 C ATOM 1491 CD1 TYR A 104 -6.618 -0.821 -6.327 1.00 0.22 C ATOM 1492 CD2 TYR A 104 -4.931 0.835 -6.636 1.00 0.23 C ATOM 1493 CE1 TYR A 104 -6.105 -1.542 -7.392 1.00 0.26 C ATOM 1494 CE2 TYR A 104 -4.413 0.122 -7.698 1.00 0.25 C ATOM 1495 CZ TYR A 104 -5.003 -1.066 -8.073 1.00 0.26 C ATOM 1496 OH TYR A 104 -4.493 -1.780 -9.135 1.00 0.30 O ATOM 0 H TYR A 104 -6.666 3.324 -6.220 1.00 0.17 H new ATOM 0 HA TYR A 104 -8.648 1.285 -5.446 1.00 0.18 H new ATOM 0 HB2 TYR A 104 -5.844 1.845 -4.401 1.00 0.19 H new ATOM 0 HB3 TYR A 104 -6.859 0.483 -3.970 1.00 0.19 H new ATOM 0 HD1 TYR A 104 -7.479 -1.197 -5.795 1.00 0.22 H new ATOM 0 HD2 TYR A 104 -4.466 1.765 -6.345 1.00 0.23 H new ATOM 0 HE1 TYR A 104 -6.565 -2.473 -7.689 1.00 0.26 H new ATOM 0 HE2 TYR A 104 -3.551 0.493 -8.232 1.00 0.25 H new ATOM 0 HH TYR A 104 -3.718 -1.307 -9.505 1.00 0.30 H new ATOM 1506 N ASN A 105 -9.476 2.449 -3.450 1.00 0.18 N ATOM 1507 CA ASN A 105 -9.991 3.115 -2.270 1.00 0.18 C ATOM 1508 C ASN A 105 -9.842 2.220 -1.069 1.00 0.17 C ATOM 1509 O ASN A 105 -10.555 1.227 -0.919 1.00 0.16 O ATOM 1510 CB ASN A 105 -11.448 3.532 -2.447 1.00 0.20 C ATOM 1511 CG ASN A 105 -11.598 4.608 -3.499 1.00 0.24 C ATOM 1512 OD1 ASN A 105 -11.658 4.200 -4.750 1.00 0.46 O flip ATOM 1513 ND2 ASN A 105 -11.642 5.798 -3.192 1.00 0.26 N flip ATOM 0 H ASN A 105 -10.079 1.714 -3.821 1.00 0.18 H new ATOM 0 HA ASN A 105 -9.409 4.023 -2.116 1.00 0.18 H new ATOM 0 HB2 ASN A 105 -12.044 2.663 -2.727 1.00 0.20 H new ATOM 0 HB3 ASN A 105 -11.841 3.895 -1.497 1.00 0.20 H new ATOM 0 HD21 ASN A 105 -11.593 6.074 -2.211 1.00 0.26 H new ATOM 0 HD22 ASN A 105 -11.728 6.509 -3.918 1.00 0.26 H new ATOM 1520 N PHE A 106 -8.898 2.577 -0.228 1.00 0.18 N ATOM 1521 CA PHE A 106 -8.627 1.817 0.978 1.00 0.17 C ATOM 1522 C PHE A 106 -9.568 2.277 2.073 1.00 0.19 C ATOM 1523 O PHE A 106 -9.505 3.425 2.506 1.00 0.23 O ATOM 1524 CB PHE A 106 -7.171 1.993 1.431 1.00 0.19 C ATOM 1525 CG PHE A 106 -6.154 1.545 0.420 1.00 0.18 C ATOM 1526 CD1 PHE A 106 -6.051 0.212 0.057 1.00 0.21 C ATOM 1527 CD2 PHE A 106 -5.292 2.458 -0.160 1.00 0.31 C ATOM 1528 CE1 PHE A 106 -5.109 -0.199 -0.866 1.00 0.21 C ATOM 1529 CE2 PHE A 106 -4.348 2.053 -1.086 1.00 0.34 C ATOM 1530 CZ PHE A 106 -4.257 0.723 -1.439 1.00 0.23 C ATOM 0 H PHE A 106 -8.300 3.393 -0.355 1.00 0.18 H new ATOM 0 HA PHE A 106 -8.785 0.759 0.768 1.00 0.17 H new ATOM 0 HB2 PHE A 106 -6.999 3.044 1.662 1.00 0.19 H new ATOM 0 HB3 PHE A 106 -7.019 1.434 2.355 1.00 0.19 H new ATOM 0 HD1 PHE A 106 -6.715 -0.515 0.501 1.00 0.21 H new ATOM 0 HD2 PHE A 106 -5.357 3.501 0.114 1.00 0.31 H new ATOM 0 HE1 PHE A 106 -5.039 -1.242 -1.139 1.00 0.21 H new ATOM 0 HE2 PHE A 106 -3.683 2.777 -1.532 1.00 0.34 H new ATOM 0 HZ PHE A 106 -3.521 0.404 -2.162 1.00 0.23 H new ATOM 1540 N THR A 107 -10.458 1.396 2.488 1.00 0.17 N ATOM 1541 CA THR A 107 -11.436 1.716 3.514 1.00 0.21 C ATOM 1542 C THR A 107 -11.296 0.779 4.715 1.00 0.20 C ATOM 1543 O THR A 107 -11.112 -0.422 4.552 1.00 0.22 O ATOM 1544 CB THR A 107 -12.858 1.607 2.934 1.00 0.26 C ATOM 1545 OG1 THR A 107 -12.913 2.294 1.677 1.00 0.39 O ATOM 1546 CG2 THR A 107 -13.888 2.201 3.882 1.00 0.35 C ATOM 0 H THR A 107 -10.525 0.444 2.127 1.00 0.17 H new ATOM 0 HA THR A 107 -11.256 2.737 3.850 1.00 0.21 H new ATOM 0 HB THR A 107 -13.091 0.551 2.796 1.00 0.26 H new ATOM 0 HG1 THR A 107 -12.686 1.672 0.954 1.00 0.39 H new ATOM 0 HG21 THR A 107 -14.882 2.109 3.444 1.00 0.35 H new ATOM 0 HG22 THR A 107 -13.859 1.667 4.832 1.00 0.35 H new ATOM 0 HG23 THR A 107 -13.662 3.254 4.051 1.00 0.35 H new ATOM 1554 N PHE A 108 -11.341 1.335 5.919 1.00 0.28 N ATOM 1555 CA PHE A 108 -11.334 0.525 7.131 1.00 0.26 C ATOM 1556 C PHE A 108 -12.265 1.137 8.161 1.00 0.27 C ATOM 1557 O PHE A 108 -12.549 2.329 8.098 1.00 0.33 O ATOM 1558 CB PHE A 108 -9.932 0.419 7.733 1.00 0.29 C ATOM 1559 CG PHE A 108 -9.720 -0.870 8.473 1.00 0.29 C ATOM 1560 CD1 PHE A 108 -9.179 -0.868 9.751 1.00 0.34 C ATOM 1561 CD2 PHE A 108 -10.043 -2.081 7.889 1.00 0.31 C ATOM 1562 CE1 PHE A 108 -8.963 -2.053 10.427 1.00 0.39 C ATOM 1563 CE2 PHE A 108 -9.834 -3.268 8.563 1.00 0.36 C ATOM 1564 CZ PHE A 108 -9.362 -3.254 9.853 1.00 0.38 C ATOM 0 H PHE A 108 -11.383 2.341 6.083 1.00 0.28 H new ATOM 0 HA PHE A 108 -11.670 -0.476 6.860 1.00 0.26 H new ATOM 0 HB2 PHE A 108 -9.191 0.504 6.938 1.00 0.29 H new ATOM 0 HB3 PHE A 108 -9.768 1.255 8.412 1.00 0.29 H new ATOM 0 HD1 PHE A 108 -8.924 0.070 10.222 1.00 0.34 H new ATOM 0 HD2 PHE A 108 -10.464 -2.099 6.894 1.00 0.31 H new ATOM 0 HE1 PHE A 108 -8.487 -2.046 11.396 1.00 0.39 H new ATOM 0 HE2 PHE A 108 -10.042 -4.209 8.075 1.00 0.36 H new ATOM 0 HZ PHE A 108 -9.301 -4.172 10.418 1.00 0.38 H new ATOM 1574 N LYS A 109 -12.704 0.339 9.124 1.00 0.25 N ATOM 1575 CA LYS A 109 -13.601 0.821 10.169 1.00 0.26 C ATOM 1576 C LYS A 109 -12.881 1.835 11.061 1.00 0.27 C ATOM 1577 O LYS A 109 -13.469 2.823 11.503 1.00 0.33 O ATOM 1578 CB LYS A 109 -14.124 -0.368 10.988 1.00 0.30 C ATOM 1579 CG LYS A 109 -15.236 -0.021 11.971 1.00 0.68 C ATOM 1580 CD LYS A 109 -14.695 0.268 13.363 1.00 0.77 C ATOM 1581 CE LYS A 109 -15.818 0.597 14.335 1.00 1.16 C ATOM 1582 NZ LYS A 109 -15.328 0.714 15.733 1.00 1.94 N ATOM 0 H LYS A 109 -12.454 -0.647 9.205 1.00 0.25 H new ATOM 0 HA LYS A 109 -14.452 1.326 9.712 1.00 0.26 H new ATOM 0 HB2 LYS A 109 -14.489 -1.132 10.302 1.00 0.30 H new ATOM 0 HB3 LYS A 109 -13.292 -0.806 11.540 1.00 0.30 H new ATOM 0 HG2 LYS A 109 -15.784 0.848 11.607 1.00 0.68 H new ATOM 0 HG3 LYS A 109 -15.946 -0.847 12.022 1.00 0.68 H new ATOM 0 HD2 LYS A 109 -14.139 -0.596 13.726 1.00 0.77 H new ATOM 0 HD3 LYS A 109 -13.995 1.102 13.317 1.00 0.77 H new ATOM 0 HE2 LYS A 109 -16.292 1.532 14.038 1.00 1.16 H new ATOM 0 HE3 LYS A 109 -16.582 -0.179 14.282 1.00 1.16 H new ATOM 0 HZ1 LYS A 109 -16.125 0.939 16.362 1.00 1.94 H new ATOM 0 HZ2 LYS A 109 -14.898 -0.186 16.027 1.00 1.94 H new ATOM 0 HZ3 LYS A 109 -14.618 1.472 15.790 1.00 1.94 H new ATOM 1596 N SER A 110 -11.598 1.593 11.291 1.00 0.28 N ATOM 1597 CA SER A 110 -10.776 2.468 12.113 1.00 0.32 C ATOM 1598 C SER A 110 -10.397 3.739 11.352 1.00 0.41 C ATOM 1599 O SER A 110 -9.719 3.670 10.323 1.00 0.50 O ATOM 1600 CB SER A 110 -9.505 1.730 12.521 1.00 0.36 C ATOM 1601 OG SER A 110 -8.650 2.554 13.293 1.00 1.03 O ATOM 0 H SER A 110 -11.099 0.787 10.914 1.00 0.28 H new ATOM 0 HA SER A 110 -11.349 2.750 12.996 1.00 0.32 H new ATOM 0 HB2 SER A 110 -9.768 0.840 13.093 1.00 0.36 H new ATOM 0 HB3 SER A 110 -8.978 1.392 11.629 1.00 0.36 H new ATOM 0 HG SER A 110 -7.846 2.051 13.539 1.00 1.03 H new ATOM 1607 N PRO A 111 -10.815 4.914 11.852 1.00 0.48 N ATOM 1608 CA PRO A 111 -10.473 6.203 11.240 1.00 0.59 C ATOM 1609 C PRO A 111 -8.983 6.519 11.363 1.00 0.67 C ATOM 1610 O PRO A 111 -8.415 7.229 10.534 1.00 1.09 O ATOM 1611 CB PRO A 111 -11.308 7.213 12.031 1.00 0.73 C ATOM 1612 CG PRO A 111 -11.569 6.552 13.339 1.00 0.77 C ATOM 1613 CD PRO A 111 -11.659 5.081 13.049 1.00 0.56 C ATOM 0 HA PRO A 111 -10.680 6.215 10.170 1.00 0.59 H new ATOM 0 HB2 PRO A 111 -10.771 8.152 12.163 1.00 0.73 H new ATOM 0 HB3 PRO A 111 -12.239 7.448 11.514 1.00 0.73 H new ATOM 0 HG2 PRO A 111 -10.769 6.761 14.049 1.00 0.77 H new ATOM 0 HG3 PRO A 111 -12.494 6.919 13.784 1.00 0.77 H new ATOM 0 HD2 PRO A 111 -11.293 4.484 13.884 1.00 0.56 H new ATOM 0 HD3 PRO A 111 -12.687 4.771 12.862 1.00 0.56 H new ATOM 1621 N GLY A 112 -8.348 5.967 12.389 1.00 0.44 N ATOM 1622 CA GLY A 112 -6.930 6.174 12.576 1.00 0.49 C ATOM 1623 C GLY A 112 -6.120 5.336 11.614 1.00 0.46 C ATOM 1624 O GLY A 112 -5.044 5.741 11.175 1.00 0.63 O ATOM 0 H GLY A 112 -8.793 5.379 13.094 1.00 0.44 H new ATOM 0 HA2 GLY A 112 -6.692 7.228 12.432 1.00 0.49 H new ATOM 0 HA3 GLY A 112 -6.656 5.922 13.600 1.00 0.49 H new ATOM 1628 N GLU A 113 -6.653 4.168 11.271 1.00 0.32 N ATOM 1629 CA GLU A 113 -6.000 3.271 10.331 1.00 0.30 C ATOM 1630 C GLU A 113 -5.847 3.954 8.980 1.00 0.31 C ATOM 1631 O GLU A 113 -4.814 3.838 8.317 1.00 0.34 O ATOM 1632 CB GLU A 113 -6.820 1.989 10.167 1.00 0.28 C ATOM 1633 CG GLU A 113 -6.031 0.840 9.579 1.00 0.32 C ATOM 1634 CD GLU A 113 -4.795 0.539 10.394 1.00 0.70 C ATOM 1635 OE1 GLU A 113 -4.903 -0.199 11.390 1.00 1.14 O ATOM 1636 OE2 GLU A 113 -3.714 1.063 10.057 1.00 0.76 O ATOM 0 H GLU A 113 -7.541 3.821 11.634 1.00 0.32 H new ATOM 0 HA GLU A 113 -5.014 3.017 10.720 1.00 0.30 H new ATOM 0 HB2 GLU A 113 -7.212 1.691 11.139 1.00 0.28 H new ATOM 0 HB3 GLU A 113 -7.678 2.195 9.527 1.00 0.28 H new ATOM 0 HG2 GLU A 113 -6.661 -0.048 9.531 1.00 0.32 H new ATOM 0 HG3 GLU A 113 -5.743 1.082 8.556 1.00 0.32 H new ATOM 1643 N ARG A 114 -6.901 4.662 8.584 1.00 0.35 N ATOM 1644 CA ARG A 114 -6.912 5.413 7.328 1.00 0.43 C ATOM 1645 C ARG A 114 -5.753 6.380 7.301 1.00 0.38 C ATOM 1646 O ARG A 114 -4.967 6.420 6.354 1.00 0.40 O ATOM 1647 CB ARG A 114 -8.208 6.235 7.142 1.00 0.61 C ATOM 1648 CG ARG A 114 -9.408 5.824 7.989 1.00 0.87 C ATOM 1649 CD ARG A 114 -10.067 4.555 7.482 1.00 0.65 C ATOM 1650 NE ARG A 114 -9.125 3.466 7.353 1.00 1.24 N ATOM 1651 CZ ARG A 114 -8.636 3.042 6.189 1.00 2.02 C ATOM 1652 NH1 ARG A 114 -9.076 3.577 5.061 1.00 2.55 N ATOM 1653 NH2 ARG A 114 -7.716 2.086 6.155 1.00 2.83 N ATOM 0 H ARG A 114 -7.767 4.733 9.119 1.00 0.35 H new ATOM 0 HA ARG A 114 -6.842 4.679 6.526 1.00 0.43 H new ATOM 0 HB2 ARG A 114 -7.982 7.280 7.357 1.00 0.61 H new ATOM 0 HB3 ARG A 114 -8.498 6.181 6.093 1.00 0.61 H new ATOM 0 HG2 ARG A 114 -9.088 5.677 9.020 1.00 0.87 H new ATOM 0 HG3 ARG A 114 -10.139 6.632 7.995 1.00 0.87 H new ATOM 0 HD2 ARG A 114 -10.865 4.264 8.165 1.00 0.65 H new ATOM 0 HD3 ARG A 114 -10.530 4.749 6.515 1.00 0.65 H new ATOM 0 HE ARG A 114 -8.817 2.995 8.203 1.00 1.24 H new ATOM 0 HH11 ARG A 114 -9.785 4.309 5.087 1.00 2.55 H new ATOM 0 HH12 ARG A 114 -8.706 3.257 4.166 1.00 2.55 H new ATOM 0 HH21 ARG A 114 -7.379 1.671 7.024 1.00 2.83 H new ATOM 0 HH22 ARG A 114 -7.346 1.766 5.260 1.00 2.83 H new ATOM 1667 N GLU A 115 -5.648 7.129 8.377 1.00 0.42 N ATOM 1668 CA GLU A 115 -4.658 8.186 8.484 1.00 0.48 C ATOM 1669 C GLU A 115 -3.248 7.627 8.501 1.00 0.37 C ATOM 1670 O GLU A 115 -2.376 8.119 7.782 1.00 0.40 O ATOM 1671 CB GLU A 115 -4.908 9.023 9.732 1.00 0.64 C ATOM 1672 CG GLU A 115 -6.189 9.832 9.666 1.00 1.24 C ATOM 1673 CD GLU A 115 -6.394 10.677 10.899 1.00 1.38 C ATOM 1674 OE1 GLU A 115 -5.748 11.741 11.013 1.00 1.49 O ATOM 1675 OE2 GLU A 115 -7.216 10.291 11.758 1.00 1.59 O ATOM 0 H GLU A 115 -6.242 7.026 9.200 1.00 0.42 H new ATOM 0 HA GLU A 115 -4.755 8.822 7.604 1.00 0.48 H new ATOM 0 HB2 GLU A 115 -4.946 8.365 10.600 1.00 0.64 H new ATOM 0 HB3 GLU A 115 -4.067 9.700 9.882 1.00 0.64 H new ATOM 0 HG2 GLU A 115 -6.165 10.475 8.787 1.00 1.24 H new ATOM 0 HG3 GLU A 115 -7.037 9.158 9.545 1.00 1.24 H new ATOM 1682 N SER A 116 -3.037 6.590 9.300 1.00 0.33 N ATOM 1683 CA SER A 116 -1.725 5.972 9.407 1.00 0.36 C ATOM 1684 C SER A 116 -1.238 5.491 8.043 1.00 0.31 C ATOM 1685 O SER A 116 -0.078 5.673 7.691 1.00 0.38 O ATOM 1686 CB SER A 116 -1.763 4.798 10.389 1.00 0.45 C ATOM 1687 OG SER A 116 -2.288 5.197 11.646 1.00 1.15 O ATOM 0 H SER A 116 -3.756 6.161 9.882 1.00 0.33 H new ATOM 0 HA SER A 116 -1.029 6.724 9.780 1.00 0.36 H new ATOM 0 HB2 SER A 116 -2.373 3.994 9.976 1.00 0.45 H new ATOM 0 HB3 SER A 116 -0.757 4.399 10.522 1.00 0.45 H new ATOM 0 HG SER A 116 -3.257 5.325 11.570 1.00 1.15 H new ATOM 1693 N TRP A 117 -2.136 4.898 7.267 1.00 0.25 N ATOM 1694 CA TRP A 117 -1.760 4.336 5.976 1.00 0.24 C ATOM 1695 C TRP A 117 -1.490 5.442 4.951 1.00 0.21 C ATOM 1696 O TRP A 117 -0.496 5.397 4.226 1.00 0.23 O ATOM 1697 CB TRP A 117 -2.858 3.402 5.466 1.00 0.26 C ATOM 1698 CG TRP A 117 -2.318 2.203 4.751 1.00 0.23 C ATOM 1699 CD1 TRP A 117 -2.064 0.981 5.297 1.00 0.23 C ATOM 1700 CD2 TRP A 117 -1.955 2.108 3.368 1.00 0.22 C ATOM 1701 NE1 TRP A 117 -1.569 0.131 4.342 1.00 0.21 N ATOM 1702 CE2 TRP A 117 -1.491 0.798 3.151 1.00 0.21 C ATOM 1703 CE3 TRP A 117 -1.977 3.000 2.292 1.00 0.25 C ATOM 1704 CZ2 TRP A 117 -1.052 0.358 1.907 1.00 0.22 C ATOM 1705 CZ3 TRP A 117 -1.540 2.562 1.056 1.00 0.26 C ATOM 1706 CH2 TRP A 117 -1.085 1.249 0.872 1.00 0.24 C ATOM 0 H TRP A 117 -3.122 4.794 7.506 1.00 0.25 H new ATOM 0 HA TRP A 117 -0.841 3.765 6.110 1.00 0.24 H new ATOM 0 HB2 TRP A 117 -3.468 3.073 6.307 1.00 0.26 H new ATOM 0 HB3 TRP A 117 -3.514 3.954 4.794 1.00 0.26 H new ATOM 0 HD1 TRP A 117 -2.229 0.720 6.332 1.00 0.23 H new ATOM 0 HE1 TRP A 117 -1.302 -0.841 4.495 1.00 0.21 H new ATOM 0 HE3 TRP A 117 -2.329 4.013 2.424 1.00 0.25 H new ATOM 0 HZ2 TRP A 117 -0.698 -0.652 1.764 1.00 0.22 H new ATOM 0 HZ3 TRP A 117 -1.549 3.243 0.218 1.00 0.26 H new ATOM 0 HH2 TRP A 117 -0.754 0.936 -0.107 1.00 0.24 H new ATOM 1717 N GLN A 118 -2.376 6.437 4.923 1.00 0.20 N ATOM 1718 CA GLN A 118 -2.338 7.507 3.921 1.00 0.19 C ATOM 1719 C GLN A 118 -0.984 8.218 3.892 1.00 0.18 C ATOM 1720 O GLN A 118 -0.402 8.426 2.828 1.00 0.21 O ATOM 1721 CB GLN A 118 -3.445 8.531 4.218 1.00 0.19 C ATOM 1722 CG GLN A 118 -3.705 9.518 3.089 1.00 0.17 C ATOM 1723 CD GLN A 118 -4.658 8.971 2.050 1.00 0.33 C ATOM 1724 OE1 GLN A 118 -5.866 9.173 2.137 1.00 0.74 O ATOM 1725 NE2 GLN A 118 -4.129 8.259 1.074 1.00 0.19 N ATOM 0 H GLN A 118 -3.140 6.526 5.593 1.00 0.20 H new ATOM 0 HA GLN A 118 -2.496 7.050 2.944 1.00 0.19 H new ATOM 0 HB2 GLN A 118 -4.369 7.996 4.437 1.00 0.19 H new ATOM 0 HB3 GLN A 118 -3.178 9.087 5.117 1.00 0.19 H new ATOM 0 HG2 GLN A 118 -4.114 10.439 3.503 1.00 0.17 H new ATOM 0 HG3 GLN A 118 -2.760 9.775 2.611 1.00 0.17 H new ATOM 0 HE21 GLN A 118 -3.120 8.114 1.037 1.00 0.19 H new ATOM 0 HE22 GLN A 118 -4.729 7.853 0.356 1.00 0.19 H new ATOM 1734 N GLU A 119 -0.499 8.605 5.059 1.00 0.19 N ATOM 1735 CA GLU A 119 0.756 9.336 5.167 1.00 0.22 C ATOM 1736 C GLU A 119 1.966 8.424 4.954 1.00 0.20 C ATOM 1737 O GLU A 119 2.948 8.811 4.318 1.00 0.26 O ATOM 1738 CB GLU A 119 0.835 9.997 6.541 1.00 0.27 C ATOM 1739 CG GLU A 119 0.656 9.013 7.680 1.00 0.27 C ATOM 1740 CD GLU A 119 0.639 9.678 9.037 1.00 0.39 C ATOM 1741 OE1 GLU A 119 -0.397 10.265 9.408 1.00 0.47 O ATOM 1742 OE2 GLU A 119 1.663 9.612 9.748 1.00 0.47 O ATOM 0 H GLU A 119 -0.957 8.425 5.952 1.00 0.19 H new ATOM 0 HA GLU A 119 0.778 10.094 4.384 1.00 0.22 H new ATOM 0 HB2 GLU A 119 1.800 10.494 6.645 1.00 0.27 H new ATOM 0 HB3 GLU A 119 0.070 10.770 6.611 1.00 0.27 H new ATOM 0 HG2 GLU A 119 -0.276 8.466 7.538 1.00 0.27 H new ATOM 0 HG3 GLU A 119 1.463 8.281 7.650 1.00 0.27 H new ATOM 1749 N GLN A 120 1.879 7.209 5.479 1.00 0.17 N ATOM 1750 CA GLN A 120 3.004 6.287 5.484 1.00 0.18 C ATOM 1751 C GLN A 120 3.395 5.850 4.085 1.00 0.17 C ATOM 1752 O GLN A 120 4.583 5.771 3.763 1.00 0.18 O ATOM 1753 CB GLN A 120 2.675 5.070 6.338 1.00 0.19 C ATOM 1754 CG GLN A 120 2.904 5.306 7.819 1.00 0.23 C ATOM 1755 CD GLN A 120 4.364 5.542 8.142 1.00 0.27 C ATOM 1756 OE1 GLN A 120 5.246 4.997 7.315 1.00 0.32 O flip ATOM 1757 NE2 GLN A 120 4.699 6.226 9.110 1.00 0.25 N flip ATOM 0 H GLN A 120 1.032 6.838 5.910 1.00 0.17 H new ATOM 0 HA GLN A 120 3.857 6.816 5.909 1.00 0.18 H new ATOM 0 HB2 GLN A 120 1.634 4.791 6.177 1.00 0.19 H new ATOM 0 HB3 GLN A 120 3.285 4.228 6.011 1.00 0.19 H new ATOM 0 HG2 GLN A 120 2.318 6.166 8.143 1.00 0.23 H new ATOM 0 HG3 GLN A 120 2.544 4.445 8.382 1.00 0.23 H new ATOM 0 HE21 GLN A 120 3.988 6.627 9.722 1.00 0.25 H new ATOM 0 HE22 GLN A 120 5.687 6.391 9.300 1.00 0.25 H new ATOM 1766 N ILE A 121 2.402 5.570 3.259 1.00 0.17 N ATOM 1767 CA ILE A 121 2.659 5.144 1.894 1.00 0.18 C ATOM 1768 C ILE A 121 3.381 6.242 1.116 1.00 0.21 C ATOM 1769 O ILE A 121 4.298 5.966 0.345 1.00 0.21 O ATOM 1770 CB ILE A 121 1.353 4.731 1.175 1.00 0.19 C ATOM 1771 CG1 ILE A 121 1.640 4.255 -0.253 1.00 0.19 C ATOM 1772 CG2 ILE A 121 0.343 5.873 1.160 1.00 0.22 C ATOM 1773 CD1 ILE A 121 2.515 3.023 -0.325 1.00 0.19 C ATOM 0 H ILE A 121 1.415 5.629 3.508 1.00 0.17 H new ATOM 0 HA ILE A 121 3.305 4.267 1.935 1.00 0.18 H new ATOM 0 HB ILE A 121 0.920 3.903 1.735 1.00 0.19 H new ATOM 0 HG12 ILE A 121 0.694 4.046 -0.753 1.00 0.19 H new ATOM 0 HG13 ILE A 121 2.121 5.063 -0.805 1.00 0.19 H new ATOM 0 HG21 ILE A 121 -0.563 5.550 0.648 1.00 0.22 H new ATOM 0 HG22 ILE A 121 0.100 6.157 2.184 1.00 0.22 H new ATOM 0 HG23 ILE A 121 0.770 6.729 0.638 1.00 0.22 H new ATOM 0 HD11 ILE A 121 2.672 2.749 -1.368 1.00 0.19 H new ATOM 0 HD12 ILE A 121 3.476 3.232 0.144 1.00 0.19 H new ATOM 0 HD13 ILE A 121 2.028 2.200 0.197 1.00 0.19 H new ATOM 1785 N GLN A 122 3.010 7.489 1.380 1.00 0.26 N ATOM 1786 CA GLN A 122 3.608 8.629 0.696 1.00 0.33 C ATOM 1787 C GLN A 122 5.065 8.789 1.102 1.00 0.27 C ATOM 1788 O GLN A 122 5.921 9.121 0.278 1.00 0.26 O ATOM 1789 CB GLN A 122 2.827 9.902 1.011 1.00 0.50 C ATOM 1790 CG GLN A 122 1.450 9.938 0.379 1.00 0.75 C ATOM 1791 CD GLN A 122 0.668 11.174 0.766 1.00 0.63 C ATOM 1792 OE1 GLN A 122 0.743 12.207 0.100 1.00 1.00 O ATOM 1793 NE2 GLN A 122 -0.091 11.075 1.843 1.00 0.39 N ATOM 0 H GLN A 122 2.296 7.737 2.065 1.00 0.26 H new ATOM 0 HA GLN A 122 3.567 8.450 -0.378 1.00 0.33 H new ATOM 0 HB2 GLN A 122 2.725 9.998 2.092 1.00 0.50 H new ATOM 0 HB3 GLN A 122 3.399 10.764 0.667 1.00 0.50 H new ATOM 0 HG2 GLN A 122 1.550 9.900 -0.706 1.00 0.75 H new ATOM 0 HG3 GLN A 122 0.893 9.051 0.679 1.00 0.75 H new ATOM 0 HE21 GLN A 122 -0.123 10.200 2.365 1.00 0.39 H new ATOM 0 HE22 GLN A 122 -0.645 11.874 2.152 1.00 0.39 H new ATOM 1802 N SER A 123 5.340 8.530 2.371 1.00 0.27 N ATOM 1803 CA SER A 123 6.691 8.617 2.894 1.00 0.26 C ATOM 1804 C SER A 123 7.576 7.557 2.240 1.00 0.20 C ATOM 1805 O SER A 123 8.742 7.808 1.930 1.00 0.23 O ATOM 1806 CB SER A 123 6.672 8.442 4.413 1.00 0.30 C ATOM 1807 OG SER A 123 7.913 8.802 4.985 1.00 1.03 O ATOM 0 H SER A 123 4.639 8.256 3.060 1.00 0.27 H new ATOM 0 HA SER A 123 7.103 9.599 2.662 1.00 0.26 H new ATOM 0 HB2 SER A 123 5.879 9.055 4.842 1.00 0.30 H new ATOM 0 HB3 SER A 123 6.442 7.405 4.659 1.00 0.30 H new ATOM 0 HG SER A 123 8.463 8.000 5.105 1.00 1.03 H new ATOM 1813 N LEU A 124 7.004 6.376 2.020 1.00 0.16 N ATOM 1814 CA LEU A 124 7.704 5.290 1.342 1.00 0.13 C ATOM 1815 C LEU A 124 7.955 5.668 -0.117 1.00 0.14 C ATOM 1816 O LEU A 124 9.063 5.496 -0.631 1.00 0.17 O ATOM 1817 CB LEU A 124 6.880 3.989 1.458 1.00 0.13 C ATOM 1818 CG LEU A 124 7.491 2.709 0.851 1.00 0.15 C ATOM 1819 CD1 LEU A 124 7.225 2.628 -0.641 1.00 0.18 C ATOM 1820 CD2 LEU A 124 8.987 2.633 1.119 1.00 0.18 C ATOM 0 H LEU A 124 6.051 6.147 2.304 1.00 0.16 H new ATOM 0 HA LEU A 124 8.671 5.120 1.815 1.00 0.13 H new ATOM 0 HB2 LEU A 124 6.689 3.803 2.515 1.00 0.13 H new ATOM 0 HB3 LEU A 124 5.913 4.159 0.985 1.00 0.13 H new ATOM 0 HG LEU A 124 7.009 1.859 1.335 1.00 0.15 H new ATOM 0 HD11 LEU A 124 7.668 1.716 -1.040 1.00 0.18 H new ATOM 0 HD12 LEU A 124 6.150 2.618 -0.819 1.00 0.18 H new ATOM 0 HD13 LEU A 124 7.666 3.493 -1.137 1.00 0.18 H new ATOM 0 HD21 LEU A 124 9.389 1.720 0.679 1.00 0.18 H new ATOM 0 HD22 LEU A 124 9.480 3.498 0.675 1.00 0.18 H new ATOM 0 HD23 LEU A 124 9.164 2.626 2.194 1.00 0.18 H new ATOM 1832 N MET A 125 6.928 6.205 -0.765 1.00 0.15 N ATOM 1833 CA MET A 125 7.021 6.607 -2.167 1.00 0.18 C ATOM 1834 C MET A 125 8.143 7.608 -2.376 1.00 0.20 C ATOM 1835 O MET A 125 9.014 7.414 -3.214 1.00 0.24 O ATOM 1836 CB MET A 125 5.708 7.240 -2.614 1.00 0.21 C ATOM 1837 CG MET A 125 4.539 6.280 -2.628 1.00 0.21 C ATOM 1838 SD MET A 125 2.958 7.133 -2.542 1.00 0.26 S ATOM 1839 CE MET A 125 3.121 8.273 -3.907 1.00 0.25 C ATOM 0 H MET A 125 6.016 6.374 -0.341 1.00 0.15 H new ATOM 0 HA MET A 125 7.228 5.714 -2.757 1.00 0.18 H new ATOM 0 HB2 MET A 125 5.473 8.073 -1.952 1.00 0.21 H new ATOM 0 HB3 MET A 125 5.837 7.654 -3.614 1.00 0.21 H new ATOM 0 HG2 MET A 125 4.576 5.678 -3.536 1.00 0.21 H new ATOM 0 HG3 MET A 125 4.625 5.593 -1.786 1.00 0.21 H new ATOM 0 HE1 MET A 125 2.137 8.478 -4.329 1.00 0.25 H new ATOM 0 HE2 MET A 125 3.565 9.203 -3.553 1.00 0.25 H new ATOM 0 HE3 MET A 125 3.760 7.834 -4.673 1.00 0.25 H new ATOM 1849 N LYS A 126 8.138 8.656 -1.581 1.00 0.20 N ATOM 1850 CA LYS A 126 9.126 9.717 -1.707 1.00 0.26 C ATOM 1851 C LYS A 126 10.494 9.263 -1.222 1.00 0.29 C ATOM 1852 O LYS A 126 11.504 9.887 -1.506 1.00 0.41 O ATOM 1853 CB LYS A 126 8.660 10.944 -0.932 1.00 0.31 C ATOM 1854 CG LYS A 126 7.418 11.585 -1.531 1.00 0.32 C ATOM 1855 CD LYS A 126 7.731 12.240 -2.870 1.00 0.46 C ATOM 1856 CE LYS A 126 6.493 12.843 -3.512 1.00 0.60 C ATOM 1857 NZ LYS A 126 5.514 11.806 -3.925 1.00 1.34 N ATOM 0 H LYS A 126 7.458 8.801 -0.835 1.00 0.20 H new ATOM 0 HA LYS A 126 9.224 9.974 -2.762 1.00 0.26 H new ATOM 0 HB2 LYS A 126 8.454 10.659 0.100 1.00 0.31 H new ATOM 0 HB3 LYS A 126 9.465 11.678 -0.906 1.00 0.31 H new ATOM 0 HG2 LYS A 126 6.643 10.830 -1.664 1.00 0.32 H new ATOM 0 HG3 LYS A 126 7.021 12.330 -0.842 1.00 0.32 H new ATOM 0 HD2 LYS A 126 8.481 13.018 -2.726 1.00 0.46 H new ATOM 0 HD3 LYS A 126 8.165 11.500 -3.543 1.00 0.46 H new ATOM 0 HE2 LYS A 126 6.019 13.529 -2.810 1.00 0.60 H new ATOM 0 HE3 LYS A 126 6.786 13.430 -4.382 1.00 0.60 H new ATOM 0 HZ1 LYS A 126 4.770 12.243 -4.505 1.00 1.34 H new ATOM 0 HZ2 LYS A 126 5.999 11.072 -4.479 1.00 1.34 H new ATOM 0 HZ3 LYS A 126 5.086 11.376 -3.080 1.00 1.34 H new ATOM 1871 N PHE A 127 10.530 8.203 -0.458 1.00 0.25 N ATOM 1872 CA PHE A 127 11.799 7.634 -0.057 1.00 0.30 C ATOM 1873 C PHE A 127 12.471 6.914 -1.223 1.00 0.35 C ATOM 1874 O PHE A 127 13.592 7.243 -1.608 1.00 0.43 O ATOM 1875 CB PHE A 127 11.609 6.683 1.120 1.00 0.28 C ATOM 1876 CG PHE A 127 12.889 6.068 1.609 1.00 0.33 C ATOM 1877 CD1 PHE A 127 13.117 4.708 1.474 1.00 0.39 C ATOM 1878 CD2 PHE A 127 13.862 6.852 2.205 1.00 0.41 C ATOM 1879 CE1 PHE A 127 14.293 4.141 1.926 1.00 0.45 C ATOM 1880 CE2 PHE A 127 15.037 6.291 2.659 1.00 0.47 C ATOM 1881 CZ PHE A 127 15.257 4.926 2.503 1.00 0.47 C ATOM 0 H PHE A 127 9.707 7.717 -0.102 1.00 0.25 H new ATOM 0 HA PHE A 127 12.451 8.450 0.256 1.00 0.30 H new ATOM 0 HB2 PHE A 127 11.139 7.224 1.941 1.00 0.28 H new ATOM 0 HB3 PHE A 127 10.923 5.889 0.827 1.00 0.28 H new ATOM 0 HD1 PHE A 127 12.367 4.084 1.010 1.00 0.39 H new ATOM 0 HD2 PHE A 127 13.699 7.914 2.316 1.00 0.41 H new ATOM 0 HE1 PHE A 127 14.453 3.078 1.825 1.00 0.45 H new ATOM 0 HE2 PHE A 127 15.784 6.909 3.134 1.00 0.47 H new ATOM 0 HZ PHE A 127 16.185 4.486 2.836 1.00 0.47 H new ATOM 1891 N MET A 128 11.775 5.940 -1.788 1.00 0.36 N ATOM 1892 CA MET A 128 12.366 5.080 -2.805 1.00 0.46 C ATOM 1893 C MET A 128 12.224 5.660 -4.210 1.00 0.47 C ATOM 1894 O MET A 128 13.126 5.526 -5.033 1.00 0.57 O ATOM 1895 CB MET A 128 11.732 3.686 -2.762 1.00 0.54 C ATOM 1896 CG MET A 128 10.236 3.682 -3.035 1.00 0.53 C ATOM 1897 SD MET A 128 9.730 2.347 -4.133 1.00 1.04 S ATOM 1898 CE MET A 128 10.539 2.823 -5.656 1.00 1.63 C ATOM 0 H MET A 128 10.804 5.725 -1.562 1.00 0.36 H new ATOM 0 HA MET A 128 13.430 5.010 -2.578 1.00 0.46 H new ATOM 0 HB2 MET A 128 12.227 3.049 -3.495 1.00 0.54 H new ATOM 0 HB3 MET A 128 11.914 3.245 -1.782 1.00 0.54 H new ATOM 0 HG2 MET A 128 9.699 3.593 -2.091 1.00 0.53 H new ATOM 0 HG3 MET A 128 9.949 4.637 -3.475 1.00 0.53 H new ATOM 0 HE1 MET A 128 9.992 2.410 -6.503 1.00 1.63 H new ATOM 0 HE2 MET A 128 10.559 3.910 -5.733 1.00 1.63 H new ATOM 0 HE3 MET A 128 11.559 2.440 -5.661 1.00 1.63 H new ATOM 1908 N SER A 129 11.102 6.307 -4.481 1.00 0.46 N ATOM 1909 CA SER A 129 10.774 6.725 -5.835 1.00 0.56 C ATOM 1910 C SER A 129 11.325 8.110 -6.151 1.00 0.62 C ATOM 1911 O SER A 129 11.378 8.512 -7.315 1.00 0.91 O ATOM 1912 CB SER A 129 9.255 6.683 -6.035 1.00 0.75 C ATOM 1913 OG SER A 129 8.882 7.039 -7.356 1.00 1.11 O ATOM 0 H SER A 129 10.402 6.554 -3.781 1.00 0.46 H new ATOM 0 HA SER A 129 11.247 6.030 -6.529 1.00 0.56 H new ATOM 0 HB2 SER A 129 8.888 5.681 -5.812 1.00 0.75 H new ATOM 0 HB3 SER A 129 8.778 7.362 -5.328 1.00 0.75 H new ATOM 0 HG SER A 129 9.441 6.551 -7.996 1.00 1.11 H new ATOM 1919 N MET A 130 11.742 8.839 -5.125 1.00 0.61 N ATOM 1920 CA MET A 130 12.319 10.154 -5.335 1.00 0.70 C ATOM 1921 C MET A 130 13.607 10.065 -6.144 1.00 0.96 C ATOM 1922 O MET A 130 14.515 9.304 -5.806 1.00 1.30 O ATOM 1923 CB MET A 130 12.576 10.855 -4.012 1.00 0.85 C ATOM 1924 CG MET A 130 11.451 11.795 -3.626 1.00 2.09 C ATOM 1925 SD MET A 130 11.297 13.205 -4.742 1.00 3.01 S ATOM 1926 CE MET A 130 12.873 14.020 -4.491 1.00 3.86 C ATOM 0 H MET A 130 11.691 8.544 -4.150 1.00 0.61 H new ATOM 0 HA MET A 130 11.597 10.742 -5.902 1.00 0.70 H new ATOM 0 HB2 MET A 130 12.707 10.109 -3.228 1.00 0.85 H new ATOM 0 HB3 MET A 130 13.508 11.416 -4.077 1.00 0.85 H new ATOM 0 HG2 MET A 130 10.511 11.243 -3.615 1.00 2.09 H new ATOM 0 HG3 MET A 130 11.620 12.158 -2.612 1.00 2.09 H new ATOM 0 HE1 MET A 130 12.796 15.063 -4.799 1.00 3.86 H new ATOM 0 HE2 MET A 130 13.144 13.972 -3.436 1.00 3.86 H new ATOM 0 HE3 MET A 130 13.639 13.522 -5.085 1.00 3.86 H new ATOM 1936 N LYS A 131 13.672 10.831 -7.217 1.00 1.29 N ATOM 1937 CA LYS A 131 14.841 10.849 -8.080 1.00 1.78 C ATOM 1938 C LYS A 131 15.731 12.026 -7.722 1.00 2.07 C ATOM 1939 O LYS A 131 16.801 11.802 -7.115 1.00 2.37 O ATOM 1940 CB LYS A 131 14.419 10.929 -9.546 1.00 2.34 C ATOM 1941 CG LYS A 131 13.579 9.743 -9.995 1.00 2.54 C ATOM 1942 CD LYS A 131 13.161 9.865 -11.452 1.00 3.36 C ATOM 1943 CE LYS A 131 12.226 11.044 -11.682 1.00 3.86 C ATOM 1944 NZ LYS A 131 10.976 10.930 -10.884 1.00 4.40 N ATOM 1945 OXT LYS A 131 15.340 13.174 -8.015 1.00 2.62 O ATOM 0 H LYS A 131 12.922 11.455 -7.515 1.00 1.29 H new ATOM 0 HA LYS A 131 15.401 9.926 -7.933 1.00 1.78 H new ATOM 0 HB2 LYS A 131 13.853 11.847 -9.705 1.00 2.34 H new ATOM 0 HB3 LYS A 131 15.310 10.992 -10.171 1.00 2.34 H new ATOM 0 HG2 LYS A 131 14.146 8.823 -9.856 1.00 2.54 H new ATOM 0 HG3 LYS A 131 12.691 9.668 -9.367 1.00 2.54 H new ATOM 0 HD2 LYS A 131 14.048 9.979 -12.075 1.00 3.36 H new ATOM 0 HD3 LYS A 131 12.668 8.945 -11.766 1.00 3.36 H new ATOM 0 HE2 LYS A 131 12.739 11.970 -11.421 1.00 3.86 H new ATOM 0 HE3 LYS A 131 11.975 11.106 -12.741 1.00 3.86 H new ATOM 0 HZ1 LYS A 131 10.269 11.599 -11.249 1.00 4.40 H new ATOM 0 HZ2 LYS A 131 10.605 9.961 -10.956 1.00 4.40 H new ATOM 0 HZ3 LYS A 131 11.179 11.150 -9.888 1.00 4.40 H new TER 1959 LYS A 131