USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 978 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 28 MET CE :methyl -165:sc= -0.0213 (180deg=-0.276) USER MOD Set 1.2: A 134 HIS :FLIP no HD1:sc= -2.2 F(o=-3.5,f=-2.2) USER MOD Set 2.1: A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 130 ASN : amide:sc= -0.652 K(o=-0.65,f=-3.6!) USER MOD Set 3.1: A 38 TYR OH : rot -15:sc= 0 USER MOD Set 3.2: A 94 THR OG1 : rot -135:sc= 0.612 USER MOD Set 3.3: A 104 SER OG : rot 177:sc= -2.4! USER MOD Set 4.1: A 66 LYS NZ :NH3+ -140:sc= 0.0579 (180deg=-0.163) USER MOD Set 4.2: A 69 GLN : amide:sc= -1.44! C(o=-1.4!,f=-7.2!) USER MOD Set 5.1: A 64 ASN : amide:sc= 0.415 K(o=1.3,f=-0.66) USER MOD Set 5.2: A 113 SER OG : rot -46:sc= 0.852 USER MOD Set 6.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 124 LYS NZ :NH3+ -104:sc= -1.8 (180deg=-4.47!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -130:sc= -1.47 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc=-0.00503 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.628 USER MOD Single : A 46 SER OG : rot -48:sc= 1.11 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 60 SER OG : rot -160:sc= 0.818 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 117:sc= 0.588 USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= -0.021 (180deg=-0.24) USER MOD Single : A 80 TYR OH : rot 89:sc= 0.211 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= -1.29! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -2.48 X(o=-2.5,f=-2.5!) USER MOD Single : A 95 SER OG : rot 116:sc= -1.56 USER MOD Single : A 96 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.6) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -4.08 K(o=-4.1,f=-5.5!) USER MOD Single : A 108 THR OG1 : rot -141:sc= 0.125 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 111 GLN : amide:sc= -1.84 K(o=-1.8,f=-3.6!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot -24:sc= -0.391 USER MOD Single : A 119 GLN :FLIP amide:sc= -0.647 F(o=-3!,f=-0.65) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 174:sc= -5.57! (180deg=-5.9!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0151) USER MOD Single : A 142 SER OG : rot 180:sc= 0.265 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -7.434 -15.306 -11.338 1.00 3.28 N ATOM 2 CA GLY A 19 -6.321 -14.826 -12.203 1.00 2.94 C ATOM 3 C GLY A 19 -4.956 -15.165 -11.637 1.00 2.29 C ATOM 4 O GLY A 19 -4.112 -15.730 -12.332 1.00 2.40 O ATOM 0 HA2 GLY A 19 -6.419 -15.268 -13.194 1.00 2.94 H new ATOM 0 HA3 GLY A 19 -6.401 -13.746 -12.326 1.00 2.94 H new ATOM 10 N SER A 20 -4.739 -14.821 -10.371 1.00 2.00 N ATOM 11 CA SER A 20 -3.466 -15.095 -9.715 1.00 1.53 C ATOM 12 C SER A 20 -3.622 -15.082 -8.197 1.00 1.15 C ATOM 13 O SER A 20 -4.473 -14.377 -7.655 1.00 1.57 O ATOM 14 CB SER A 20 -2.415 -14.068 -10.140 1.00 1.94 C ATOM 15 OG SER A 20 -2.699 -12.791 -9.596 1.00 2.43 O ATOM 0 H SER A 20 -5.427 -14.353 -9.781 1.00 2.00 H new ATOM 0 HA SER A 20 -3.136 -16.088 -10.020 1.00 1.53 H new ATOM 0 HB2 SER A 20 -1.429 -14.395 -9.811 1.00 1.94 H new ATOM 0 HB3 SER A 20 -2.384 -14.004 -11.228 1.00 1.94 H new ATOM 0 HG SER A 20 -2.011 -12.154 -9.881 1.00 2.43 H new ATOM 21 N SER A 21 -2.797 -15.872 -7.520 1.00 0.84 N ATOM 22 CA SER A 21 -2.839 -15.963 -6.065 1.00 0.85 C ATOM 23 C SER A 21 -2.180 -14.753 -5.408 1.00 0.68 C ATOM 24 O SER A 21 -1.282 -14.130 -5.978 1.00 0.67 O ATOM 25 CB SER A 21 -2.151 -17.246 -5.595 1.00 1.25 C ATOM 26 OG SER A 21 -2.163 -17.342 -4.181 1.00 1.84 O ATOM 0 H SER A 21 -2.088 -16.461 -7.957 1.00 0.84 H new ATOM 0 HA SER A 21 -3.887 -15.982 -5.766 1.00 0.85 H new ATOM 0 HB2 SER A 21 -2.655 -18.111 -6.026 1.00 1.25 H new ATOM 0 HB3 SER A 21 -1.122 -17.264 -5.955 1.00 1.25 H new ATOM 0 HG SER A 21 -1.719 -18.171 -3.906 1.00 1.84 H new ATOM 32 N ILE A 22 -2.634 -14.436 -4.199 1.00 0.80 N ATOM 33 CA ILE A 22 -2.100 -13.312 -3.439 1.00 0.68 C ATOM 34 C ILE A 22 -1.962 -13.684 -1.965 1.00 0.61 C ATOM 35 O ILE A 22 -2.859 -14.290 -1.380 1.00 0.68 O ATOM 36 CB ILE A 22 -3.000 -12.064 -3.576 1.00 0.79 C ATOM 37 CG1 ILE A 22 -2.387 -10.874 -2.835 1.00 1.65 C ATOM 38 CG2 ILE A 22 -4.404 -12.353 -3.060 1.00 1.49 C ATOM 39 CD1 ILE A 22 -3.036 -9.551 -3.175 1.00 2.15 C ATOM 0 H ILE A 22 -3.377 -14.947 -3.722 1.00 0.80 H new ATOM 0 HA ILE A 22 -1.117 -13.075 -3.846 1.00 0.68 H new ATOM 0 HB ILE A 22 -3.072 -11.809 -4.633 1.00 0.79 H new ATOM 0 HG12 ILE A 22 -2.468 -11.044 -1.761 1.00 1.65 H new ATOM 0 HG13 ILE A 22 -1.324 -10.819 -3.069 1.00 1.65 H new ATOM 0 HG21 ILE A 22 -5.021 -11.461 -3.166 1.00 1.49 H new ATOM 0 HG22 ILE A 22 -4.843 -13.168 -3.636 1.00 1.49 H new ATOM 0 HG23 ILE A 22 -4.354 -12.637 -2.009 1.00 1.49 H new ATOM 0 HD11 ILE A 22 -2.551 -8.753 -2.613 1.00 2.15 H new ATOM 0 HD12 ILE A 22 -2.932 -9.358 -4.243 1.00 2.15 H new ATOM 0 HD13 ILE A 22 -4.094 -9.587 -2.914 1.00 2.15 H new ATOM 51 N THR A 23 -0.825 -13.334 -1.374 1.00 0.54 N ATOM 52 CA THR A 23 -0.568 -13.649 0.029 1.00 0.56 C ATOM 53 C THR A 23 -1.058 -12.548 0.950 1.00 0.53 C ATOM 54 O THR A 23 -1.235 -11.400 0.543 1.00 0.56 O ATOM 55 CB THR A 23 0.921 -13.910 0.259 1.00 0.62 C ATOM 56 OG1 THR A 23 1.705 -13.238 -0.710 1.00 1.10 O ATOM 57 CG2 THR A 23 1.286 -15.378 0.210 1.00 1.12 C ATOM 0 H THR A 23 -0.069 -12.834 -1.841 1.00 0.54 H new ATOM 0 HA THR A 23 -1.126 -14.555 0.267 1.00 0.56 H new ATOM 0 HB THR A 23 1.128 -13.535 1.261 1.00 0.62 H new ATOM 0 HG1 THR A 23 2.346 -13.865 -1.104 1.00 1.10 H new ATOM 0 HG21 THR A 23 2.356 -15.493 0.381 1.00 1.12 H new ATOM 0 HG22 THR A 23 0.736 -15.916 0.982 1.00 1.12 H new ATOM 0 HG23 THR A 23 1.029 -15.784 -0.768 1.00 1.12 H new ATOM 65 N THR A 24 -1.305 -12.938 2.193 1.00 0.52 N ATOM 66 CA THR A 24 -1.815 -12.038 3.209 1.00 0.53 C ATOM 67 C THR A 24 -2.904 -11.136 2.663 1.00 0.50 C ATOM 68 O THR A 24 -2.668 -9.997 2.268 1.00 0.52 O ATOM 69 CB THR A 24 -0.735 -11.229 3.882 1.00 0.59 C ATOM 70 OG1 THR A 24 0.553 -11.761 3.624 1.00 0.65 O ATOM 71 CG2 THR A 24 -0.954 -11.196 5.374 1.00 0.61 C ATOM 0 H THR A 24 -1.156 -13.892 2.523 1.00 0.52 H new ATOM 0 HA THR A 24 -2.252 -12.676 3.977 1.00 0.53 H new ATOM 0 HB THR A 24 -0.789 -10.220 3.473 1.00 0.59 H new ATOM 0 HG1 THR A 24 1.230 -11.212 4.073 1.00 0.65 H new ATOM 0 HG21 THR A 24 -0.166 -10.608 5.845 1.00 0.61 H new ATOM 0 HG22 THR A 24 -1.922 -10.744 5.590 1.00 0.61 H new ATOM 0 HG23 THR A 24 -0.933 -12.212 5.767 1.00 0.61 H new ATOM 79 N PRO A 25 -4.118 -11.670 2.637 1.00 0.49 N ATOM 80 CA PRO A 25 -5.292 -10.968 2.138 1.00 0.49 C ATOM 81 C PRO A 25 -5.848 -9.961 3.147 1.00 0.52 C ATOM 82 O PRO A 25 -5.483 -8.786 3.112 1.00 0.88 O ATOM 83 CB PRO A 25 -6.280 -12.094 1.877 1.00 0.52 C ATOM 84 CG PRO A 25 -5.889 -13.190 2.822 1.00 0.52 C ATOM 85 CD PRO A 25 -4.411 -13.032 3.083 1.00 0.50 C ATOM 0 HA PRO A 25 -5.072 -10.368 1.255 1.00 0.49 H new ATOM 0 HB2 PRO A 25 -7.305 -11.768 2.056 1.00 0.52 H new ATOM 0 HB3 PRO A 25 -6.228 -12.430 0.841 1.00 0.52 H new ATOM 0 HG2 PRO A 25 -6.455 -13.120 3.751 1.00 0.52 H new ATOM 0 HG3 PRO A 25 -6.103 -14.168 2.390 1.00 0.52 H new ATOM 0 HD2 PRO A 25 -4.175 -13.166 4.139 1.00 0.50 H new ATOM 0 HD3 PRO A 25 -3.827 -13.768 2.530 1.00 0.50 H new ATOM 93 N GLU A 26 -6.710 -10.404 4.056 1.00 0.35 N ATOM 94 CA GLU A 26 -7.260 -9.494 5.053 1.00 0.34 C ATOM 95 C GLU A 26 -6.227 -9.273 6.148 1.00 0.33 C ATOM 96 O GLU A 26 -5.680 -10.227 6.699 1.00 0.37 O ATOM 97 CB GLU A 26 -8.561 -10.046 5.638 1.00 0.38 C ATOM 98 CG GLU A 26 -9.720 -10.035 4.654 1.00 1.33 C ATOM 99 CD GLU A 26 -11.000 -10.585 5.251 1.00 1.57 C ATOM 100 OE1 GLU A 26 -10.944 -11.150 6.364 1.00 2.05 O ATOM 101 OE2 GLU A 26 -12.061 -10.452 4.605 1.00 2.06 O ATOM 0 H GLU A 26 -7.038 -11.368 4.123 1.00 0.35 H new ATOM 0 HA GLU A 26 -7.493 -8.541 4.579 1.00 0.34 H new ATOM 0 HB2 GLU A 26 -8.393 -11.068 5.978 1.00 0.38 H new ATOM 0 HB3 GLU A 26 -8.834 -9.459 6.515 1.00 0.38 H new ATOM 0 HG2 GLU A 26 -9.892 -9.014 4.313 1.00 1.33 H new ATOM 0 HG3 GLU A 26 -9.452 -10.623 3.776 1.00 1.33 H new ATOM 108 N GLU A 27 -5.909 -8.010 6.408 1.00 0.29 N ATOM 109 CA GLU A 27 -4.876 -7.682 7.378 1.00 0.28 C ATOM 110 C GLU A 27 -5.166 -6.416 8.186 1.00 0.25 C ATOM 111 O GLU A 27 -5.988 -5.584 7.804 1.00 0.25 O ATOM 112 CB GLU A 27 -3.571 -7.496 6.620 1.00 0.28 C ATOM 113 CG GLU A 27 -2.363 -7.260 7.512 1.00 0.40 C ATOM 114 CD GLU A 27 -1.051 -7.320 6.751 1.00 0.91 C ATOM 115 OE1 GLU A 27 -1.083 -7.573 5.528 1.00 1.66 O ATOM 116 OE2 GLU A 27 0.009 -7.113 7.379 1.00 1.71 O ATOM 0 H GLU A 27 -6.348 -7.204 5.964 1.00 0.29 H new ATOM 0 HA GLU A 27 -4.829 -8.500 8.097 1.00 0.28 H new ATOM 0 HB2 GLU A 27 -3.390 -8.379 6.008 1.00 0.28 H new ATOM 0 HB3 GLU A 27 -3.676 -6.652 5.938 1.00 0.28 H new ATOM 0 HG2 GLU A 27 -2.456 -6.286 7.992 1.00 0.40 H new ATOM 0 HG3 GLU A 27 -2.352 -8.006 8.306 1.00 0.40 H new ATOM 123 N MET A 28 -4.429 -6.277 9.288 1.00 0.25 N ATOM 124 CA MET A 28 -4.519 -5.113 10.165 1.00 0.24 C ATOM 125 C MET A 28 -3.117 -4.708 10.602 1.00 0.25 C ATOM 126 O MET A 28 -2.274 -5.561 10.879 1.00 0.32 O ATOM 127 CB MET A 28 -5.381 -5.409 11.389 1.00 0.28 C ATOM 128 CG MET A 28 -5.465 -4.253 12.373 1.00 0.99 C ATOM 129 SD MET A 28 -6.418 -4.666 13.847 1.00 0.99 S ATOM 130 CE MET A 28 -8.066 -4.809 13.159 1.00 1.86 C ATOM 0 H MET A 28 -3.750 -6.973 9.598 1.00 0.25 H new ATOM 0 HA MET A 28 -4.988 -4.297 9.616 1.00 0.24 H new ATOM 0 HB2 MET A 28 -6.387 -5.668 11.059 1.00 0.28 H new ATOM 0 HB3 MET A 28 -4.979 -6.283 11.902 1.00 0.28 H new ATOM 0 HG2 MET A 28 -4.458 -3.957 12.667 1.00 0.99 H new ATOM 0 HG3 MET A 28 -5.919 -3.393 11.880 1.00 0.99 H new ATOM 0 HE1 MET A 28 -8.799 -4.795 13.965 1.00 1.86 H new ATOM 0 HE2 MET A 28 -8.253 -3.973 12.485 1.00 1.86 H new ATOM 0 HE3 MET A 28 -8.150 -5.746 12.608 1.00 1.86 H new ATOM 140 N ILE A 29 -2.865 -3.410 10.641 1.00 0.22 N ATOM 141 CA ILE A 29 -1.547 -2.907 11.022 1.00 0.24 C ATOM 142 C ILE A 29 -1.634 -1.778 12.051 1.00 0.20 C ATOM 143 O ILE A 29 -2.491 -0.902 11.955 1.00 0.20 O ATOM 144 CB ILE A 29 -0.771 -2.410 9.783 1.00 0.30 C ATOM 145 CG1 ILE A 29 -0.785 -3.475 8.684 1.00 0.36 C ATOM 146 CG2 ILE A 29 0.659 -2.049 10.157 1.00 0.35 C ATOM 147 CD1 ILE A 29 -0.154 -4.787 9.095 1.00 0.39 C ATOM 0 H ILE A 29 -3.548 -2.686 10.416 1.00 0.22 H new ATOM 0 HA ILE A 29 -1.015 -3.742 11.478 1.00 0.24 H new ATOM 0 HB ILE A 29 -1.263 -1.514 9.404 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -1.816 -3.658 8.382 1.00 0.36 H new ATOM 0 HG13 ILE A 29 -0.260 -3.089 7.810 1.00 0.36 H new ATOM 0 HG21 ILE A 29 1.190 -1.701 9.271 1.00 0.35 H new ATOM 0 HG22 ILE A 29 0.650 -1.259 10.908 1.00 0.35 H new ATOM 0 HG23 ILE A 29 1.163 -2.928 10.560 1.00 0.35 H new ATOM 0 HD11 ILE A 29 -0.202 -5.490 8.264 1.00 0.39 H new ATOM 0 HD12 ILE A 29 0.888 -4.620 9.369 1.00 0.39 H new ATOM 0 HD13 ILE A 29 -0.692 -5.198 9.949 1.00 0.39 H new ATOM 159 N GLU A 30 -0.730 -1.802 13.029 1.00 0.21 N ATOM 160 CA GLU A 30 -0.691 -0.771 14.066 1.00 0.20 C ATOM 161 C GLU A 30 0.755 -0.398 14.399 1.00 0.23 C ATOM 162 O GLU A 30 1.565 -1.261 14.735 1.00 0.28 O ATOM 163 CB GLU A 30 -1.417 -1.249 15.324 1.00 0.25 C ATOM 164 CG GLU A 30 -0.755 -2.440 15.997 1.00 0.28 C ATOM 165 CD GLU A 30 -1.494 -2.894 17.241 1.00 0.34 C ATOM 166 OE1 GLU A 30 -2.408 -2.169 17.687 1.00 1.19 O ATOM 167 OE2 GLU A 30 -1.159 -3.976 17.768 1.00 1.08 O ATOM 0 H GLU A 30 -0.015 -2.523 13.125 1.00 0.21 H new ATOM 0 HA GLU A 30 -1.199 0.115 13.686 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -1.472 -0.425 16.036 1.00 0.25 H new ATOM 0 HB3 GLU A 30 -2.442 -1.514 15.063 1.00 0.25 H new ATOM 0 HG2 GLU A 30 -0.700 -3.268 15.290 1.00 0.28 H new ATOM 0 HG3 GLU A 30 0.269 -2.179 16.263 1.00 0.28 H new ATOM 174 N LYS A 31 1.076 0.891 14.295 1.00 0.22 N ATOM 175 CA LYS A 31 2.427 1.370 14.578 1.00 0.26 C ATOM 176 C LYS A 31 2.407 2.726 15.282 1.00 0.26 C ATOM 177 O LYS A 31 1.395 3.422 15.274 1.00 0.25 O ATOM 178 CB LYS A 31 3.232 1.459 13.285 1.00 0.28 C ATOM 179 CG LYS A 31 3.415 0.122 12.587 1.00 1.11 C ATOM 180 CD LYS A 31 4.350 -0.789 13.366 1.00 1.10 C ATOM 181 CE LYS A 31 4.544 -2.121 12.661 1.00 2.10 C ATOM 182 NZ LYS A 31 5.417 -3.040 13.443 1.00 2.52 N ATOM 0 H LYS A 31 0.420 1.621 14.017 1.00 0.22 H new ATOM 0 HA LYS A 31 2.902 0.655 15.250 1.00 0.26 H new ATOM 0 HB2 LYS A 31 2.734 2.149 12.604 1.00 0.28 H new ATOM 0 HB3 LYS A 31 4.212 1.881 13.506 1.00 0.28 H new ATOM 0 HG2 LYS A 31 2.446 -0.364 12.469 1.00 1.11 H new ATOM 0 HG3 LYS A 31 3.814 0.285 11.586 1.00 1.11 H new ATOM 0 HD2 LYS A 31 5.315 -0.299 13.493 1.00 1.10 H new ATOM 0 HD3 LYS A 31 3.946 -0.960 14.364 1.00 1.10 H new ATOM 0 HE2 LYS A 31 3.574 -2.591 12.500 1.00 2.10 H new ATOM 0 HE3 LYS A 31 4.983 -1.951 11.678 1.00 2.10 H new ATOM 0 HZ1 LYS A 31 5.525 -3.938 12.929 1.00 2.52 H new ATOM 0 HZ2 LYS A 31 6.351 -2.602 13.576 1.00 2.52 H new ATOM 0 HZ3 LYS A 31 4.985 -3.223 14.371 1.00 2.52 H new ATOM 196 N ALA A 32 3.533 3.096 15.886 1.00 0.29 N ATOM 197 CA ALA A 32 3.643 4.373 16.590 1.00 0.32 C ATOM 198 C ALA A 32 3.800 5.539 15.613 1.00 0.29 C ATOM 199 O ALA A 32 4.510 5.436 14.614 1.00 0.28 O ATOM 200 CB ALA A 32 4.812 4.335 17.562 1.00 0.39 C ATOM 0 H ALA A 32 4.382 2.531 15.903 1.00 0.29 H new ATOM 0 HA ALA A 32 2.720 4.530 17.148 1.00 0.32 H new ATOM 0 HB1 ALA A 32 4.885 5.291 18.081 1.00 0.39 H new ATOM 0 HB2 ALA A 32 4.655 3.538 18.289 1.00 0.39 H new ATOM 0 HB3 ALA A 32 5.735 4.149 17.014 1.00 0.39 H new ATOM 206 N LYS A 33 3.126 6.649 15.911 1.00 0.30 N ATOM 207 CA LYS A 33 3.180 7.843 15.064 1.00 0.31 C ATOM 208 C LYS A 33 4.617 8.215 14.700 1.00 0.30 C ATOM 209 O LYS A 33 5.487 8.305 15.565 1.00 0.38 O ATOM 210 CB LYS A 33 2.501 9.021 15.765 1.00 0.37 C ATOM 211 CG LYS A 33 2.429 10.275 14.909 1.00 0.97 C ATOM 212 CD LYS A 33 1.747 11.416 15.648 1.00 1.12 C ATOM 213 CE LYS A 33 1.675 12.670 14.792 1.00 1.91 C ATOM 214 NZ LYS A 33 0.858 13.735 15.436 1.00 2.35 N ATOM 0 H LYS A 33 2.534 6.748 16.735 1.00 0.30 H new ATOM 0 HA LYS A 33 2.648 7.613 14.141 1.00 0.31 H new ATOM 0 HB2 LYS A 33 1.491 8.729 16.054 1.00 0.37 H new ATOM 0 HB3 LYS A 33 3.042 9.248 16.684 1.00 0.37 H new ATOM 0 HG2 LYS A 33 3.435 10.578 14.620 1.00 0.97 H new ATOM 0 HG3 LYS A 33 1.885 10.059 13.990 1.00 0.97 H new ATOM 0 HD2 LYS A 33 0.741 11.113 15.937 1.00 1.12 H new ATOM 0 HD3 LYS A 33 2.291 11.632 16.567 1.00 1.12 H new ATOM 0 HE2 LYS A 33 2.683 13.045 14.611 1.00 1.91 H new ATOM 0 HE3 LYS A 33 1.248 12.422 13.820 1.00 1.91 H new ATOM 0 HZ1 LYS A 33 0.833 14.573 14.821 1.00 2.35 H new ATOM 0 HZ2 LYS A 33 -0.111 13.387 15.586 1.00 2.35 H new ATOM 0 HZ3 LYS A 33 1.280 13.990 16.352 1.00 2.35 H new ATOM 228 N GLY A 34 4.853 8.436 13.412 1.00 0.28 N ATOM 229 CA GLY A 34 6.179 8.801 12.942 1.00 0.30 C ATOM 230 C GLY A 34 7.015 7.598 12.560 1.00 0.29 C ATOM 231 O GLY A 34 7.982 7.719 11.808 1.00 0.31 O ATOM 0 H GLY A 34 4.146 8.369 12.680 1.00 0.28 H new ATOM 0 HA2 GLY A 34 6.085 9.462 12.080 1.00 0.30 H new ATOM 0 HA3 GLY A 34 6.694 9.364 13.721 1.00 0.30 H new ATOM 235 N GLU A 35 6.628 6.429 13.049 1.00 0.30 N ATOM 236 CA GLU A 35 7.330 5.201 12.719 1.00 0.31 C ATOM 237 C GLU A 35 6.870 4.741 11.351 1.00 0.27 C ATOM 238 O GLU A 35 5.805 5.150 10.894 1.00 0.24 O ATOM 239 CB GLU A 35 7.041 4.115 13.753 1.00 0.36 C ATOM 240 CG GLU A 35 7.662 4.388 15.114 1.00 0.43 C ATOM 241 CD GLU A 35 7.361 3.296 16.123 1.00 1.30 C ATOM 242 OE1 GLU A 35 6.517 2.425 15.823 1.00 2.11 O ATOM 243 OE2 GLU A 35 7.971 3.311 17.213 1.00 2.00 O ATOM 0 H GLU A 35 5.832 6.307 13.675 1.00 0.30 H new ATOM 0 HA GLU A 35 8.404 5.387 12.718 1.00 0.31 H new ATOM 0 HB2 GLU A 35 5.962 4.014 13.869 1.00 0.36 H new ATOM 0 HB3 GLU A 35 7.412 3.161 13.379 1.00 0.36 H new ATOM 0 HG2 GLU A 35 8.742 4.487 15.003 1.00 0.43 H new ATOM 0 HG3 GLU A 35 7.292 5.340 15.494 1.00 0.43 H new ATOM 250 N THR A 36 7.645 3.898 10.689 1.00 0.29 N ATOM 251 CA THR A 36 7.235 3.426 9.379 1.00 0.26 C ATOM 252 C THR A 36 6.373 2.171 9.512 1.00 0.25 C ATOM 253 O THR A 36 6.765 1.213 10.179 1.00 0.27 O ATOM 254 CB THR A 36 8.433 3.133 8.482 1.00 0.29 C ATOM 255 OG1 THR A 36 9.285 4.262 8.392 1.00 0.33 O ATOM 256 CG2 THR A 36 8.021 2.750 7.075 1.00 0.28 C ATOM 0 H THR A 36 8.537 3.535 11.025 1.00 0.29 H new ATOM 0 HA THR A 36 6.652 4.222 8.915 1.00 0.26 H new ATOM 0 HB THR A 36 8.954 2.293 8.943 1.00 0.29 H new ATOM 0 HG1 THR A 36 10.047 4.051 7.813 1.00 0.33 H new ATOM 0 HG21 THR A 36 8.910 2.552 6.477 1.00 0.28 H new ATOM 0 HG22 THR A 36 7.399 1.855 7.109 1.00 0.28 H new ATOM 0 HG23 THR A 36 7.457 3.567 6.626 1.00 0.28 H new ATOM 264 N ALA A 37 5.203 2.174 8.877 1.00 0.24 N ATOM 265 CA ALA A 37 4.308 1.022 8.938 1.00 0.24 C ATOM 266 C ALA A 37 4.439 0.178 7.680 1.00 0.23 C ATOM 267 O ALA A 37 4.109 0.623 6.582 1.00 0.22 O ATOM 268 CB ALA A 37 2.866 1.467 9.130 1.00 0.26 C ATOM 0 H ALA A 37 4.855 2.954 8.319 1.00 0.24 H new ATOM 0 HA ALA A 37 4.595 0.414 9.796 1.00 0.24 H new ATOM 0 HB1 ALA A 37 2.218 0.592 9.172 1.00 0.26 H new ATOM 0 HB2 ALA A 37 2.779 2.028 10.060 1.00 0.26 H new ATOM 0 HB3 ALA A 37 2.566 2.100 8.295 1.00 0.26 H new ATOM 274 N TYR A 38 4.943 -1.035 7.847 1.00 0.25 N ATOM 275 CA TYR A 38 5.145 -1.939 6.726 1.00 0.26 C ATOM 276 C TYR A 38 3.853 -2.630 6.296 1.00 0.25 C ATOM 277 O TYR A 38 3.151 -3.228 7.112 1.00 0.29 O ATOM 278 CB TYR A 38 6.185 -2.994 7.091 1.00 0.29 C ATOM 279 CG TYR A 38 6.637 -3.829 5.917 1.00 0.40 C ATOM 280 CD1 TYR A 38 5.862 -4.879 5.444 1.00 1.34 C ATOM 281 CD2 TYR A 38 7.845 -3.569 5.287 1.00 1.19 C ATOM 282 CE1 TYR A 38 6.282 -5.648 4.376 1.00 1.43 C ATOM 283 CE2 TYR A 38 8.270 -4.333 4.218 1.00 1.25 C ATOM 284 CZ TYR A 38 7.486 -5.372 3.767 1.00 0.74 C ATOM 285 OH TYR A 38 7.906 -6.135 2.702 1.00 0.92 O ATOM 0 H TYR A 38 5.220 -1.417 8.751 1.00 0.25 H new ATOM 0 HA TYR A 38 5.494 -1.337 5.887 1.00 0.26 H new ATOM 0 HB2 TYR A 38 7.052 -2.501 7.530 1.00 0.29 H new ATOM 0 HB3 TYR A 38 5.771 -3.651 7.856 1.00 0.29 H new ATOM 0 HD1 TYR A 38 4.917 -5.098 5.918 1.00 1.34 H new ATOM 0 HD2 TYR A 38 8.463 -2.756 5.638 1.00 1.19 H new ATOM 0 HE1 TYR A 38 5.669 -6.462 4.020 1.00 1.43 H new ATOM 0 HE2 TYR A 38 9.213 -4.117 3.738 1.00 1.25 H new ATOM 0 HH TYR A 38 7.374 -6.957 2.658 1.00 0.92 H new ATOM 295 N LEU A 39 3.576 -2.577 4.999 1.00 0.24 N ATOM 296 CA LEU A 39 2.405 -3.230 4.427 1.00 0.24 C ATOM 297 C LEU A 39 2.878 -4.248 3.390 1.00 0.23 C ATOM 298 O LEU A 39 3.387 -3.872 2.334 1.00 0.21 O ATOM 299 CB LEU A 39 1.468 -2.197 3.799 1.00 0.24 C ATOM 300 CG LEU A 39 0.939 -1.141 4.775 1.00 0.28 C ATOM 301 CD1 LEU A 39 1.748 0.142 4.666 1.00 0.80 C ATOM 302 CD2 LEU A 39 -0.537 -0.866 4.525 1.00 0.80 C ATOM 0 H LEU A 39 4.153 -2.083 4.318 1.00 0.24 H new ATOM 0 HA LEU A 39 1.844 -3.743 5.208 1.00 0.24 H new ATOM 0 HB2 LEU A 39 1.995 -1.693 2.989 1.00 0.24 H new ATOM 0 HB3 LEU A 39 0.621 -2.718 3.353 1.00 0.24 H new ATOM 0 HG LEU A 39 1.046 -1.530 5.788 1.00 0.28 H new ATOM 0 HD11 LEU A 39 1.357 0.879 5.367 1.00 0.80 H new ATOM 0 HD12 LEU A 39 2.792 -0.065 4.902 1.00 0.80 H new ATOM 0 HD13 LEU A 39 1.676 0.532 3.651 1.00 0.80 H new ATOM 0 HD21 LEU A 39 -0.891 -0.113 5.229 1.00 0.80 H new ATOM 0 HD22 LEU A 39 -0.672 -0.502 3.506 1.00 0.80 H new ATOM 0 HD23 LEU A 39 -1.106 -1.786 4.660 1.00 0.80 H new ATOM 314 N PRO A 40 2.781 -5.553 3.701 1.00 0.25 N ATOM 315 CA PRO A 40 3.271 -6.612 2.813 1.00 0.24 C ATOM 316 C PRO A 40 2.327 -7.030 1.687 1.00 0.27 C ATOM 317 O PRO A 40 1.385 -7.792 1.905 1.00 0.31 O ATOM 318 CB PRO A 40 3.468 -7.783 3.774 1.00 0.26 C ATOM 319 CG PRO A 40 2.428 -7.586 4.822 1.00 0.42 C ATOM 320 CD PRO A 40 2.253 -6.097 4.969 1.00 0.27 C ATOM 0 HA PRO A 40 4.157 -6.270 2.278 1.00 0.24 H new ATOM 0 HB2 PRO A 40 3.343 -8.739 3.265 1.00 0.26 H new ATOM 0 HB3 PRO A 40 4.470 -7.779 4.204 1.00 0.26 H new ATOM 0 HG2 PRO A 40 1.490 -8.061 4.534 1.00 0.42 H new ATOM 0 HG3 PRO A 40 2.736 -8.036 5.765 1.00 0.42 H new ATOM 0 HD2 PRO A 40 1.206 -5.830 5.114 1.00 0.27 H new ATOM 0 HD3 PRO A 40 2.802 -5.713 5.829 1.00 0.27 H new ATOM 328 N CYS A 41 2.639 -6.595 0.466 1.00 0.26 N ATOM 329 CA CYS A 41 1.874 -6.998 -0.709 1.00 0.30 C ATOM 330 C CYS A 41 2.698 -8.004 -1.487 1.00 0.28 C ATOM 331 O CYS A 41 3.852 -7.744 -1.826 1.00 0.35 O ATOM 332 CB CYS A 41 1.508 -5.819 -1.610 1.00 0.35 C ATOM 333 SG CYS A 41 -0.104 -6.006 -2.454 1.00 1.03 S ATOM 0 H CYS A 41 3.416 -5.964 0.267 1.00 0.26 H new ATOM 0 HA CYS A 41 0.934 -7.434 -0.371 1.00 0.30 H new ATOM 0 HB2 CYS A 41 1.490 -4.908 -1.011 1.00 0.35 H new ATOM 0 HB3 CYS A 41 2.288 -5.692 -2.361 1.00 0.35 H new ATOM 338 N LYS A 42 2.116 -9.151 -1.760 1.00 0.29 N ATOM 339 CA LYS A 42 2.819 -10.191 -2.490 1.00 0.28 C ATOM 340 C LYS A 42 1.896 -10.885 -3.469 1.00 0.32 C ATOM 341 O LYS A 42 0.731 -11.141 -3.173 1.00 0.59 O ATOM 342 CB LYS A 42 3.443 -11.192 -1.520 1.00 0.30 C ATOM 343 CG LYS A 42 4.863 -10.828 -1.124 1.00 0.46 C ATOM 344 CD LYS A 42 5.131 -11.129 0.339 1.00 0.46 C ATOM 345 CE LYS A 42 6.619 -11.111 0.648 1.00 1.21 C ATOM 346 NZ LYS A 42 7.240 -12.455 0.480 1.00 1.66 N ATOM 0 H LYS A 42 1.162 -9.390 -1.490 1.00 0.29 H new ATOM 0 HA LYS A 42 3.620 -9.726 -3.064 1.00 0.28 H new ATOM 0 HB2 LYS A 42 2.826 -11.254 -0.623 1.00 0.30 H new ATOM 0 HB3 LYS A 42 3.441 -12.182 -1.977 1.00 0.30 H new ATOM 0 HG2 LYS A 42 5.567 -11.382 -1.745 1.00 0.46 H new ATOM 0 HG3 LYS A 42 5.034 -9.769 -1.315 1.00 0.46 H new ATOM 0 HD2 LYS A 42 4.620 -10.395 0.962 1.00 0.46 H new ATOM 0 HD3 LYS A 42 4.718 -12.105 0.592 1.00 0.46 H new ATOM 0 HE2 LYS A 42 7.117 -10.397 -0.008 1.00 1.21 H new ATOM 0 HE3 LYS A 42 6.773 -10.766 1.670 1.00 1.21 H new ATOM 0 HZ1 LYS A 42 8.255 -12.399 0.700 1.00 1.66 H new ATOM 0 HZ2 LYS A 42 6.783 -13.132 1.124 1.00 1.66 H new ATOM 0 HZ3 LYS A 42 7.116 -12.774 -0.502 1.00 1.66 H new ATOM 360 N PHE A 43 2.426 -11.165 -4.648 1.00 0.37 N ATOM 361 CA PHE A 43 1.653 -11.801 -5.696 1.00 0.39 C ATOM 362 C PHE A 43 2.496 -12.821 -6.456 1.00 0.34 C ATOM 363 O PHE A 43 3.713 -12.673 -6.572 1.00 0.34 O ATOM 364 CB PHE A 43 1.135 -10.723 -6.646 1.00 0.43 C ATOM 365 CG PHE A 43 2.224 -9.838 -7.186 1.00 0.40 C ATOM 366 CD1 PHE A 43 2.604 -8.670 -6.526 1.00 1.25 C ATOM 367 CD2 PHE A 43 2.874 -10.178 -8.358 1.00 1.23 C ATOM 368 CE1 PHE A 43 3.610 -7.871 -7.036 1.00 1.26 C ATOM 369 CE2 PHE A 43 3.877 -9.381 -8.870 1.00 1.23 C ATOM 370 CZ PHE A 43 4.245 -8.228 -8.209 1.00 0.43 C ATOM 0 H PHE A 43 3.392 -10.960 -4.902 1.00 0.37 H new ATOM 0 HA PHE A 43 0.814 -12.336 -5.250 1.00 0.39 H new ATOM 0 HB2 PHE A 43 0.617 -11.199 -7.478 1.00 0.43 H new ATOM 0 HB3 PHE A 43 0.402 -10.109 -6.123 1.00 0.43 H new ATOM 0 HD1 PHE A 43 2.108 -8.387 -5.609 1.00 1.25 H new ATOM 0 HD2 PHE A 43 2.593 -11.080 -8.880 1.00 1.23 H new ATOM 0 HE1 PHE A 43 3.899 -6.969 -6.518 1.00 1.26 H new ATOM 0 HE2 PHE A 43 4.374 -9.660 -9.788 1.00 1.23 H new ATOM 0 HZ PHE A 43 5.030 -7.604 -8.609 1.00 0.43 H new ATOM 380 N THR A 44 1.840 -13.857 -6.968 1.00 0.37 N ATOM 381 CA THR A 44 2.529 -14.907 -7.714 1.00 0.39 C ATOM 382 C THR A 44 2.802 -14.474 -9.149 1.00 0.46 C ATOM 383 O THR A 44 2.312 -13.439 -9.602 1.00 0.68 O ATOM 384 CB THR A 44 1.709 -16.196 -7.714 1.00 0.51 C ATOM 385 OG1 THR A 44 2.238 -17.126 -8.643 1.00 1.30 O ATOM 386 CG2 THR A 44 0.254 -15.981 -8.062 1.00 1.33 C ATOM 0 H THR A 44 0.833 -13.993 -6.881 1.00 0.37 H new ATOM 0 HA THR A 44 3.482 -15.090 -7.218 1.00 0.39 H new ATOM 0 HB THR A 44 1.770 -16.576 -6.694 1.00 0.51 H new ATOM 0 HG1 THR A 44 1.701 -17.946 -8.627 1.00 1.30 H new ATOM 0 HG21 THR A 44 -0.270 -16.937 -8.044 1.00 1.33 H new ATOM 0 HG22 THR A 44 -0.198 -15.306 -7.336 1.00 1.33 H new ATOM 0 HG23 THR A 44 0.179 -15.545 -9.058 1.00 1.33 H new ATOM 394 N LEU A 45 3.590 -15.275 -9.857 1.00 0.59 N ATOM 395 CA LEU A 45 3.934 -14.980 -11.242 1.00 0.77 C ATOM 396 C LEU A 45 3.889 -16.242 -12.098 1.00 0.76 C ATOM 397 O LEU A 45 4.289 -17.321 -11.658 1.00 0.85 O ATOM 398 CB LEU A 45 5.324 -14.345 -11.320 1.00 1.07 C ATOM 399 CG LEU A 45 5.476 -13.021 -10.569 1.00 1.55 C ATOM 400 CD1 LEU A 45 6.916 -12.536 -10.629 1.00 2.09 C ATOM 401 CD2 LEU A 45 4.534 -11.973 -11.145 1.00 2.12 C ATOM 0 H LEU A 45 4.003 -16.134 -9.494 1.00 0.59 H new ATOM 0 HA LEU A 45 3.198 -14.276 -11.630 1.00 0.77 H new ATOM 0 HB2 LEU A 45 6.053 -15.054 -10.926 1.00 1.07 H new ATOM 0 HB3 LEU A 45 5.573 -14.181 -12.368 1.00 1.07 H new ATOM 0 HG LEU A 45 5.213 -13.184 -9.524 1.00 1.55 H new ATOM 0 HD11 LEU A 45 7.005 -11.593 -10.090 1.00 2.09 H new ATOM 0 HD12 LEU A 45 7.569 -13.279 -10.172 1.00 2.09 H new ATOM 0 HD13 LEU A 45 7.207 -12.388 -11.669 1.00 2.09 H new ATOM 0 HD21 LEU A 45 4.654 -11.037 -10.600 1.00 2.12 H new ATOM 0 HD22 LEU A 45 4.768 -11.813 -12.197 1.00 2.12 H new ATOM 0 HD23 LEU A 45 3.504 -12.318 -11.051 1.00 2.12 H new ATOM 413 N SER A 46 3.396 -16.094 -13.322 1.00 0.97 N ATOM 414 CA SER A 46 3.287 -17.208 -14.254 1.00 1.09 C ATOM 415 C SER A 46 3.170 -16.689 -15.685 1.00 0.93 C ATOM 416 O SER A 46 2.794 -15.538 -15.906 1.00 0.74 O ATOM 417 CB SER A 46 2.072 -18.072 -13.905 1.00 1.24 C ATOM 418 OG SER A 46 0.863 -17.390 -14.190 1.00 1.75 O ATOM 0 H SER A 46 3.063 -15.205 -13.694 1.00 0.97 H new ATOM 0 HA SER A 46 4.186 -17.819 -14.175 1.00 1.09 H new ATOM 0 HB2 SER A 46 2.110 -19.003 -14.470 1.00 1.24 H new ATOM 0 HB3 SER A 46 2.103 -18.339 -12.849 1.00 1.24 H new ATOM 0 HG SER A 46 0.904 -16.483 -13.821 1.00 1.75 H new ATOM 424 N PRO A 47 3.496 -17.526 -16.682 1.00 1.10 N ATOM 425 CA PRO A 47 3.427 -17.133 -18.093 1.00 1.09 C ATOM 426 C PRO A 47 2.042 -16.635 -18.504 1.00 0.86 C ATOM 427 O PRO A 47 1.898 -15.976 -19.534 1.00 0.84 O ATOM 428 CB PRO A 47 3.781 -18.421 -18.853 1.00 1.35 C ATOM 429 CG PRO A 47 3.641 -19.521 -17.856 1.00 1.61 C ATOM 430 CD PRO A 47 3.961 -18.912 -16.523 1.00 1.38 C ATOM 0 HA PRO A 47 4.098 -16.301 -18.305 1.00 1.09 H new ATOM 0 HB2 PRO A 47 3.114 -18.573 -19.701 1.00 1.35 H new ATOM 0 HB3 PRO A 47 4.795 -18.377 -19.249 1.00 1.35 H new ATOM 0 HG2 PRO A 47 2.631 -19.931 -17.866 1.00 1.61 H new ATOM 0 HG3 PRO A 47 4.320 -20.343 -18.083 1.00 1.61 H new ATOM 0 HD2 PRO A 47 3.444 -19.422 -15.710 1.00 1.38 H new ATOM 0 HD3 PRO A 47 5.027 -18.959 -16.302 1.00 1.38 H new ATOM 438 N GLU A 48 1.024 -16.946 -17.704 1.00 0.80 N ATOM 439 CA GLU A 48 -0.330 -16.517 -18.008 1.00 0.71 C ATOM 440 C GLU A 48 -0.487 -15.033 -17.752 1.00 0.59 C ATOM 441 O GLU A 48 -1.064 -14.313 -18.566 1.00 0.55 O ATOM 442 CB GLU A 48 -1.346 -17.309 -17.182 1.00 0.88 C ATOM 443 CG GLU A 48 -2.790 -16.912 -17.448 1.00 1.24 C ATOM 444 CD GLU A 48 -3.778 -17.709 -16.619 1.00 1.51 C ATOM 445 OE1 GLU A 48 -3.358 -18.697 -15.980 1.00 2.18 O ATOM 446 OE2 GLU A 48 -4.973 -17.346 -16.609 1.00 1.78 O ATOM 0 H GLU A 48 1.115 -17.491 -16.846 1.00 0.80 H new ATOM 0 HA GLU A 48 -0.519 -16.709 -19.064 1.00 0.71 H new ATOM 0 HB2 GLU A 48 -1.225 -18.371 -17.394 1.00 0.88 H new ATOM 0 HB3 GLU A 48 -1.129 -17.169 -16.123 1.00 0.88 H new ATOM 0 HG2 GLU A 48 -2.916 -15.851 -17.235 1.00 1.24 H new ATOM 0 HG3 GLU A 48 -3.012 -17.053 -18.506 1.00 1.24 H new ATOM 453 N ASP A 49 0.050 -14.568 -16.631 1.00 0.60 N ATOM 454 CA ASP A 49 -0.028 -13.155 -16.313 1.00 0.52 C ATOM 455 C ASP A 49 0.912 -12.388 -17.227 1.00 0.52 C ATOM 456 O ASP A 49 2.010 -11.998 -16.830 1.00 0.62 O ATOM 457 CB ASP A 49 0.295 -12.878 -14.841 1.00 0.61 C ATOM 458 CG ASP A 49 1.437 -13.720 -14.319 1.00 1.62 C ATOM 459 OD1 ASP A 49 1.237 -14.939 -14.137 1.00 2.41 O ATOM 460 OD2 ASP A 49 2.531 -13.164 -14.091 1.00 2.27 O ATOM 0 H ASP A 49 0.535 -15.140 -15.940 1.00 0.60 H new ATOM 0 HA ASP A 49 -1.053 -12.820 -16.475 1.00 0.52 H new ATOM 0 HB2 ASP A 49 0.544 -11.824 -14.721 1.00 0.61 H new ATOM 0 HB3 ASP A 49 -0.593 -13.066 -14.238 1.00 0.61 H new ATOM 465 N GLN A 50 0.479 -12.211 -18.468 1.00 0.51 N ATOM 466 CA GLN A 50 1.281 -11.532 -19.472 1.00 0.63 C ATOM 467 C GLN A 50 1.033 -10.025 -19.471 1.00 0.58 C ATOM 468 O GLN A 50 1.777 -9.270 -20.097 1.00 0.69 O ATOM 469 CB GLN A 50 0.964 -12.115 -20.850 1.00 0.79 C ATOM 470 CG GLN A 50 1.256 -13.606 -20.961 1.00 0.81 C ATOM 471 CD GLN A 50 0.934 -14.160 -22.335 1.00 1.12 C ATOM 472 OE1 GLN A 50 0.198 -13.547 -23.108 1.00 1.44 O ATOM 473 NE2 GLN A 50 1.480 -15.331 -22.644 1.00 1.64 N ATOM 0 H GLN A 50 -0.430 -12.531 -18.803 1.00 0.51 H new ATOM 0 HA GLN A 50 2.333 -11.690 -19.233 1.00 0.63 H new ATOM 0 HB2 GLN A 50 -0.088 -11.941 -21.076 1.00 0.79 H new ATOM 0 HB3 GLN A 50 1.544 -11.582 -21.603 1.00 0.79 H new ATOM 0 HG2 GLN A 50 2.308 -13.784 -20.738 1.00 0.81 H new ATOM 0 HG3 GLN A 50 0.676 -14.143 -20.211 1.00 0.81 H new ATOM 0 HE21 GLN A 50 2.084 -15.805 -21.973 1.00 1.64 H new ATOM 0 HE22 GLN A 50 1.295 -15.756 -23.552 1.00 1.64 H new ATOM 482 N GLY A 51 -0.006 -9.583 -18.764 1.00 0.47 N ATOM 483 CA GLY A 51 -0.300 -8.165 -18.708 1.00 0.49 C ATOM 484 C GLY A 51 0.696 -7.405 -17.857 1.00 0.52 C ATOM 485 O GLY A 51 1.343 -7.992 -16.989 1.00 0.55 O ATOM 0 H GLY A 51 -0.643 -10.178 -18.234 1.00 0.47 H new ATOM 0 HA2 GLY A 51 -0.298 -7.756 -19.718 1.00 0.49 H new ATOM 0 HA3 GLY A 51 -1.303 -8.020 -18.307 1.00 0.49 H new ATOM 489 N PRO A 52 0.838 -6.087 -18.069 1.00 0.58 N ATOM 490 CA PRO A 52 1.763 -5.264 -17.289 1.00 0.66 C ATOM 491 C PRO A 52 1.514 -5.416 -15.795 1.00 0.64 C ATOM 492 O PRO A 52 0.390 -5.689 -15.372 1.00 0.68 O ATOM 493 CB PRO A 52 1.462 -3.828 -17.746 1.00 0.71 C ATOM 494 CG PRO A 52 0.170 -3.908 -18.491 1.00 0.85 C ATOM 495 CD PRO A 52 0.105 -5.294 -19.063 1.00 0.63 C ATOM 0 HA PRO A 52 2.803 -5.549 -17.447 1.00 0.66 H new ATOM 0 HB2 PRO A 52 1.382 -3.154 -16.893 1.00 0.71 H new ATOM 0 HB3 PRO A 52 2.259 -3.444 -18.383 1.00 0.71 H new ATOM 0 HG2 PRO A 52 -0.675 -3.720 -17.828 1.00 0.85 H new ATOM 0 HG3 PRO A 52 0.128 -3.158 -19.281 1.00 0.85 H new ATOM 0 HD2 PRO A 52 -0.923 -5.637 -19.177 1.00 0.63 H new ATOM 0 HD3 PRO A 52 0.570 -5.348 -20.047 1.00 0.63 H new ATOM 503 N LEU A 53 2.559 -5.248 -14.996 1.00 0.65 N ATOM 504 CA LEU A 53 2.428 -5.380 -13.552 1.00 0.67 C ATOM 505 C LEU A 53 1.791 -4.138 -12.951 1.00 0.57 C ATOM 506 O LEU A 53 2.172 -3.013 -13.274 1.00 0.59 O ATOM 507 CB LEU A 53 3.789 -5.635 -12.906 1.00 0.78 C ATOM 508 CG LEU A 53 4.324 -7.059 -13.067 1.00 1.25 C ATOM 509 CD1 LEU A 53 5.239 -7.151 -14.279 1.00 1.90 C ATOM 510 CD2 LEU A 53 5.051 -7.499 -11.804 1.00 1.86 C ATOM 0 H LEU A 53 3.499 -5.022 -15.320 1.00 0.65 H new ATOM 0 HA LEU A 53 1.781 -6.234 -13.352 1.00 0.67 H new ATOM 0 HB2 LEU A 53 4.513 -4.941 -13.333 1.00 0.78 H new ATOM 0 HB3 LEU A 53 3.718 -5.408 -11.842 1.00 0.78 H new ATOM 0 HG LEU A 53 3.481 -7.731 -13.227 1.00 1.25 H new ATOM 0 HD11 LEU A 53 5.610 -8.171 -14.378 1.00 1.90 H new ATOM 0 HD12 LEU A 53 4.683 -6.879 -15.176 1.00 1.90 H new ATOM 0 HD13 LEU A 53 6.080 -6.469 -14.152 1.00 1.90 H new ATOM 0 HD21 LEU A 53 5.426 -8.514 -11.935 1.00 1.86 H new ATOM 0 HD22 LEU A 53 5.887 -6.826 -11.612 1.00 1.86 H new ATOM 0 HD23 LEU A 53 4.362 -7.472 -10.960 1.00 1.86 H new ATOM 522 N ASP A 54 0.809 -4.349 -12.083 1.00 0.67 N ATOM 523 CA ASP A 54 0.112 -3.241 -11.449 1.00 0.61 C ATOM 524 C ASP A 54 -0.184 -3.526 -9.977 1.00 0.71 C ATOM 525 O ASP A 54 -0.427 -4.662 -9.583 1.00 1.24 O ATOM 526 CB ASP A 54 -1.184 -2.942 -12.197 1.00 0.67 C ATOM 527 CG ASP A 54 -1.724 -1.554 -11.907 1.00 1.06 C ATOM 528 OD1 ASP A 54 -1.514 -1.056 -10.782 1.00 1.76 O ATOM 529 OD2 ASP A 54 -2.355 -0.964 -12.809 1.00 1.78 O ATOM 0 H ASP A 54 0.480 -5.273 -11.804 1.00 0.67 H new ATOM 0 HA ASP A 54 0.765 -2.369 -11.492 1.00 0.61 H new ATOM 0 HB2 ASP A 54 -1.011 -3.043 -13.268 1.00 0.67 H new ATOM 0 HB3 ASP A 54 -1.935 -3.683 -11.924 1.00 0.67 H new ATOM 534 N ILE A 55 -0.156 -2.463 -9.190 1.00 0.31 N ATOM 535 CA ILE A 55 -0.425 -2.492 -7.752 1.00 0.33 C ATOM 536 C ILE A 55 -1.172 -1.215 -7.347 1.00 0.27 C ATOM 537 O ILE A 55 -0.785 -0.131 -7.770 1.00 0.44 O ATOM 538 CB ILE A 55 0.880 -2.597 -6.935 1.00 0.44 C ATOM 539 CG1 ILE A 55 1.713 -3.795 -7.400 1.00 0.64 C ATOM 540 CG2 ILE A 55 0.570 -2.708 -5.449 1.00 0.52 C ATOM 541 CD1 ILE A 55 3.203 -3.534 -7.393 1.00 0.75 C ATOM 0 H ILE A 55 0.060 -1.529 -9.538 1.00 0.31 H new ATOM 0 HA ILE A 55 -1.033 -3.371 -7.540 1.00 0.33 H new ATOM 0 HB ILE A 55 1.462 -1.690 -7.100 1.00 0.44 H new ATOM 0 HG12 ILE A 55 1.499 -4.648 -6.756 1.00 0.64 H new ATOM 0 HG13 ILE A 55 1.405 -4.072 -8.408 1.00 0.64 H new ATOM 0 HG21 ILE A 55 1.501 -2.781 -4.888 1.00 0.52 H new ATOM 0 HG22 ILE A 55 0.020 -1.825 -5.125 1.00 0.52 H new ATOM 0 HG23 ILE A 55 -0.033 -3.598 -5.269 1.00 0.52 H new ATOM 0 HD11 ILE A 55 3.730 -4.425 -7.734 1.00 0.75 H new ATOM 0 HD12 ILE A 55 3.430 -2.701 -8.059 1.00 0.75 H new ATOM 0 HD13 ILE A 55 3.524 -3.287 -6.381 1.00 0.75 H new ATOM 553 N GLU A 56 -2.226 -1.320 -6.535 1.00 0.33 N ATOM 554 CA GLU A 56 -2.966 -0.120 -6.119 1.00 0.28 C ATOM 555 C GLU A 56 -3.400 -0.174 -4.656 1.00 0.27 C ATOM 556 O GLU A 56 -4.160 -1.054 -4.254 1.00 0.40 O ATOM 557 CB GLU A 56 -4.186 0.090 -7.019 1.00 0.35 C ATOM 558 CG GLU A 56 -5.011 1.315 -6.655 1.00 1.09 C ATOM 559 CD GLU A 56 -6.211 1.503 -7.562 1.00 1.12 C ATOM 560 OE1 GLU A 56 -6.297 0.798 -8.589 1.00 1.67 O ATOM 561 OE2 GLU A 56 -7.064 2.360 -7.247 1.00 1.46 O ATOM 0 H GLU A 56 -2.582 -2.199 -6.159 1.00 0.33 H new ATOM 0 HA GLU A 56 -2.284 0.724 -6.222 1.00 0.28 H new ATOM 0 HB2 GLU A 56 -3.852 0.182 -8.053 1.00 0.35 H new ATOM 0 HB3 GLU A 56 -4.822 -0.794 -6.966 1.00 0.35 H new ATOM 0 HG2 GLU A 56 -5.351 1.225 -5.623 1.00 1.09 H new ATOM 0 HG3 GLU A 56 -4.379 2.202 -6.707 1.00 1.09 H new ATOM 568 N TRP A 57 -2.931 0.794 -3.867 1.00 0.19 N ATOM 569 CA TRP A 57 -3.291 0.874 -2.456 1.00 0.19 C ATOM 570 C TRP A 57 -4.388 1.911 -2.219 1.00 0.19 C ATOM 571 O TRP A 57 -4.231 3.080 -2.573 1.00 0.22 O ATOM 572 CB TRP A 57 -2.068 1.207 -1.605 1.00 0.20 C ATOM 573 CG TRP A 57 -1.074 0.080 -1.523 1.00 0.18 C ATOM 574 CD1 TRP A 57 -0.072 -0.220 -2.410 1.00 0.18 C ATOM 575 CD2 TRP A 57 -0.989 -0.903 -0.485 1.00 0.18 C ATOM 576 NE1 TRP A 57 0.621 -1.321 -1.980 1.00 0.17 N ATOM 577 CE2 TRP A 57 0.081 -1.757 -0.805 1.00 0.17 C ATOM 578 CE3 TRP A 57 -1.713 -1.143 0.685 1.00 0.20 C ATOM 579 CZ2 TRP A 57 0.447 -2.827 0.000 1.00 0.18 C ATOM 580 CZ3 TRP A 57 -1.348 -2.210 1.485 1.00 0.21 C ATOM 581 CH2 TRP A 57 -0.274 -3.039 1.138 1.00 0.20 C ATOM 0 H TRP A 57 -2.302 1.532 -4.184 1.00 0.19 H new ATOM 0 HA TRP A 57 -3.674 -0.103 -2.160 1.00 0.19 H new ATOM 0 HB2 TRP A 57 -1.575 2.087 -2.018 1.00 0.20 H new ATOM 0 HB3 TRP A 57 -2.395 1.468 -0.598 1.00 0.20 H new ATOM 0 HD1 TRP A 57 0.140 0.331 -3.315 1.00 0.18 H new ATOM 0 HE1 TRP A 57 1.413 -1.747 -2.461 1.00 0.17 H new ATOM 0 HE3 TRP A 57 -2.542 -0.507 0.960 1.00 0.20 H new ATOM 0 HZ2 TRP A 57 1.274 -3.469 -0.266 1.00 0.18 H new ATOM 0 HZ3 TRP A 57 -1.900 -2.407 2.392 1.00 0.21 H new ATOM 0 HH2 TRP A 57 -0.011 -3.863 1.785 1.00 0.20 H new ATOM 592 N LEU A 58 -5.484 1.490 -1.597 1.00 0.21 N ATOM 593 CA LEU A 58 -6.585 2.402 -1.293 1.00 0.22 C ATOM 594 C LEU A 58 -6.610 2.703 0.201 1.00 0.23 C ATOM 595 O LEU A 58 -6.735 1.794 1.020 1.00 0.34 O ATOM 596 CB LEU A 58 -7.922 1.802 -1.728 1.00 0.25 C ATOM 597 CG LEU A 58 -8.043 1.505 -3.223 1.00 0.33 C ATOM 598 CD1 LEU A 58 -9.400 0.892 -3.536 1.00 0.39 C ATOM 599 CD2 LEU A 58 -7.828 2.775 -4.036 1.00 0.41 C ATOM 0 H LEU A 58 -5.635 0.528 -1.294 1.00 0.21 H new ATOM 0 HA LEU A 58 -6.429 3.329 -1.845 1.00 0.22 H new ATOM 0 HB2 LEU A 58 -8.085 0.877 -1.175 1.00 0.25 H new ATOM 0 HB3 LEU A 58 -8.720 2.488 -1.444 1.00 0.25 H new ATOM 0 HG LEU A 58 -7.271 0.786 -3.497 1.00 0.33 H new ATOM 0 HD11 LEU A 58 -9.469 0.687 -4.604 1.00 0.39 H new ATOM 0 HD12 LEU A 58 -9.516 -0.038 -2.980 1.00 0.39 H new ATOM 0 HD13 LEU A 58 -10.188 1.587 -3.248 1.00 0.39 H new ATOM 0 HD21 LEU A 58 -7.917 2.547 -5.098 1.00 0.41 H new ATOM 0 HD22 LEU A 58 -8.579 3.515 -3.760 1.00 0.41 H new ATOM 0 HD23 LEU A 58 -6.834 3.173 -3.833 1.00 0.41 H new ATOM 611 N ILE A 59 -6.475 3.976 0.555 1.00 0.32 N ATOM 612 CA ILE A 59 -6.464 4.374 1.958 1.00 0.39 C ATOM 613 C ILE A 59 -7.773 5.011 2.392 1.00 0.36 C ATOM 614 O ILE A 59 -8.205 6.018 1.832 1.00 0.37 O ATOM 615 CB ILE A 59 -5.323 5.370 2.257 1.00 0.52 C ATOM 616 CG1 ILE A 59 -5.228 5.640 3.761 1.00 0.64 C ATOM 617 CG2 ILE A 59 -5.532 6.674 1.497 1.00 0.57 C ATOM 618 CD1 ILE A 59 -4.149 6.635 4.131 1.00 0.78 C ATOM 0 H ILE A 59 -6.372 4.746 -0.106 1.00 0.32 H new ATOM 0 HA ILE A 59 -6.312 3.452 2.520 1.00 0.39 H new ATOM 0 HB ILE A 59 -4.386 4.925 1.923 1.00 0.52 H new ATOM 0 HG12 ILE A 59 -6.189 6.010 4.117 1.00 0.64 H new ATOM 0 HG13 ILE A 59 -5.037 4.700 4.279 1.00 0.64 H new ATOM 0 HG21 ILE A 59 -4.717 7.361 1.722 1.00 0.57 H new ATOM 0 HG22 ILE A 59 -5.551 6.472 0.426 1.00 0.57 H new ATOM 0 HG23 ILE A 59 -6.479 7.123 1.798 1.00 0.57 H new ATOM 0 HD11 ILE A 59 -4.140 6.777 5.212 1.00 0.78 H new ATOM 0 HD12 ILE A 59 -3.179 6.258 3.806 1.00 0.78 H new ATOM 0 HD13 ILE A 59 -4.350 7.588 3.642 1.00 0.78 H new ATOM 630 N SER A 60 -8.372 4.451 3.433 1.00 0.36 N ATOM 631 CA SER A 60 -9.591 5.011 3.979 1.00 0.34 C ATOM 632 C SER A 60 -9.323 5.427 5.419 1.00 0.34 C ATOM 633 O SER A 60 -9.272 4.587 6.317 1.00 0.35 O ATOM 634 CB SER A 60 -10.730 3.992 3.929 1.00 0.36 C ATOM 635 OG SER A 60 -10.894 3.475 2.621 1.00 1.25 O ATOM 0 H SER A 60 -8.034 3.616 3.911 1.00 0.36 H new ATOM 0 HA SER A 60 -9.893 5.874 3.386 1.00 0.34 H new ATOM 0 HB2 SER A 60 -10.524 3.177 4.622 1.00 0.36 H new ATOM 0 HB3 SER A 60 -11.657 4.462 4.257 1.00 0.36 H new ATOM 0 HG SER A 60 -11.787 3.082 2.534 1.00 1.25 H new ATOM 641 N PRO A 61 -9.125 6.731 5.652 1.00 0.34 N ATOM 642 CA PRO A 61 -8.831 7.257 6.983 1.00 0.34 C ATOM 643 C PRO A 61 -10.071 7.399 7.853 1.00 0.34 C ATOM 644 O PRO A 61 -10.967 8.189 7.560 1.00 0.35 O ATOM 645 CB PRO A 61 -8.229 8.626 6.680 1.00 0.36 C ATOM 646 CG PRO A 61 -8.896 9.046 5.423 1.00 0.53 C ATOM 647 CD PRO A 61 -9.118 7.790 4.628 1.00 0.35 C ATOM 0 HA PRO A 61 -8.177 6.594 7.549 1.00 0.34 H new ATOM 0 HB2 PRO A 61 -8.420 9.333 7.488 1.00 0.36 H new ATOM 0 HB3 PRO A 61 -7.148 8.567 6.557 1.00 0.36 H new ATOM 0 HG2 PRO A 61 -9.841 9.547 5.632 1.00 0.53 H new ATOM 0 HG3 PRO A 61 -8.276 9.752 4.870 1.00 0.53 H new ATOM 0 HD2 PRO A 61 -10.059 7.824 4.079 1.00 0.35 H new ATOM 0 HD3 PRO A 61 -8.327 7.634 3.895 1.00 0.35 H new ATOM 655 N ALA A 62 -10.104 6.627 8.932 1.00 0.34 N ATOM 656 CA ALA A 62 -11.219 6.658 9.864 1.00 0.36 C ATOM 657 C ALA A 62 -11.389 8.047 10.463 1.00 0.37 C ATOM 658 O ALA A 62 -12.509 8.524 10.646 1.00 0.41 O ATOM 659 CB ALA A 62 -11.014 5.628 10.965 1.00 0.39 C ATOM 0 H ALA A 62 -9.366 5.969 9.182 1.00 0.34 H new ATOM 0 HA ALA A 62 -12.128 6.411 9.316 1.00 0.36 H new ATOM 0 HB1 ALA A 62 -11.856 5.662 11.656 1.00 0.39 H new ATOM 0 HB2 ALA A 62 -10.946 4.633 10.525 1.00 0.39 H new ATOM 0 HB3 ALA A 62 -10.093 5.850 11.504 1.00 0.39 H new ATOM 665 N ASP A 63 -10.268 8.687 10.775 1.00 0.34 N ATOM 666 CA ASP A 63 -10.288 10.017 11.363 1.00 0.36 C ATOM 667 C ASP A 63 -10.632 11.089 10.330 1.00 0.41 C ATOM 668 O ASP A 63 -11.367 12.032 10.625 1.00 0.77 O ATOM 669 CB ASP A 63 -8.932 10.312 12.005 1.00 0.38 C ATOM 670 CG ASP A 63 -8.709 9.514 13.274 1.00 1.09 C ATOM 671 OD1 ASP A 63 -9.705 9.039 13.860 1.00 1.80 O ATOM 672 OD2 ASP A 63 -7.538 9.363 13.682 1.00 1.82 O ATOM 0 H ASP A 63 -9.334 8.304 10.630 1.00 0.34 H new ATOM 0 HA ASP A 63 -11.067 10.040 12.125 1.00 0.36 H new ATOM 0 HB2 ASP A 63 -8.139 10.086 11.293 1.00 0.38 H new ATOM 0 HB3 ASP A 63 -8.864 11.376 12.231 1.00 0.38 H new ATOM 677 N ASN A 64 -10.093 10.946 9.126 1.00 0.53 N ATOM 678 CA ASN A 64 -10.339 11.912 8.056 1.00 0.55 C ATOM 679 C ASN A 64 -11.625 11.610 7.287 1.00 0.53 C ATOM 680 O ASN A 64 -12.156 10.500 7.336 1.00 0.49 O ATOM 681 CB ASN A 64 -9.156 11.959 7.090 1.00 0.54 C ATOM 682 CG ASN A 64 -7.900 12.504 7.739 1.00 1.17 C ATOM 683 OD1 ASN A 64 -6.867 11.836 7.776 1.00 1.94 O ATOM 684 ND2 ASN A 64 -7.983 13.724 8.255 1.00 1.80 N ATOM 0 H ASN A 64 -9.483 10.172 8.863 1.00 0.53 H new ATOM 0 HA ASN A 64 -10.458 12.886 8.531 1.00 0.55 H new ATOM 0 HB2 ASN A 64 -8.960 10.956 6.711 1.00 0.54 H new ATOM 0 HB3 ASN A 64 -9.416 12.578 6.232 1.00 0.54 H new ATOM 0 HD21 ASN A 64 -7.170 14.144 8.705 1.00 1.80 H new ATOM 0 HD22 ASN A 64 -8.860 14.242 8.202 1.00 1.80 H new ATOM 691 N GLN A 65 -12.106 12.623 6.573 1.00 0.58 N ATOM 692 CA GLN A 65 -13.322 12.527 5.766 1.00 0.60 C ATOM 693 C GLN A 65 -13.123 11.626 4.547 1.00 0.54 C ATOM 694 O GLN A 65 -14.088 11.182 3.923 1.00 0.55 O ATOM 695 CB GLN A 65 -13.725 13.919 5.294 1.00 0.68 C ATOM 696 CG GLN A 65 -14.237 14.819 6.405 1.00 0.75 C ATOM 697 CD GLN A 65 -14.629 16.196 5.905 1.00 1.18 C ATOM 698 OE1 GLN A 65 -15.216 16.336 4.833 1.00 1.66 O ATOM 699 NE2 GLN A 65 -14.303 17.222 6.682 1.00 1.53 N ATOM 0 H GLN A 65 -11.662 13.540 6.537 1.00 0.58 H new ATOM 0 HA GLN A 65 -14.103 12.090 6.388 1.00 0.60 H new ATOM 0 HB2 GLN A 65 -12.866 14.395 4.821 1.00 0.68 H new ATOM 0 HB3 GLN A 65 -14.498 13.824 4.531 1.00 0.68 H new ATOM 0 HG2 GLN A 65 -15.099 14.350 6.880 1.00 0.75 H new ATOM 0 HG3 GLN A 65 -13.467 14.920 7.170 1.00 0.75 H new ATOM 0 HE21 GLN A 65 -13.816 17.060 7.564 1.00 1.53 H new ATOM 0 HE22 GLN A 65 -14.539 18.173 6.397 1.00 1.53 H new ATOM 708 N LYS A 66 -11.867 11.398 4.195 1.00 0.50 N ATOM 709 CA LYS A 66 -11.513 10.592 3.025 1.00 0.46 C ATOM 710 C LYS A 66 -11.871 9.122 3.234 1.00 0.40 C ATOM 711 O LYS A 66 -11.861 8.628 4.362 1.00 0.40 O ATOM 712 CB LYS A 66 -10.007 10.684 2.795 1.00 0.48 C ATOM 713 CG LYS A 66 -9.491 12.086 2.543 1.00 0.76 C ATOM 714 CD LYS A 66 -7.978 12.084 2.406 1.00 0.76 C ATOM 715 CE LYS A 66 -7.438 13.482 2.152 1.00 1.09 C ATOM 716 NZ LYS A 66 -7.918 14.037 0.857 1.00 1.74 N ATOM 0 H LYS A 66 -11.063 11.763 4.707 1.00 0.50 H new ATOM 0 HA LYS A 66 -12.069 10.975 2.170 1.00 0.46 H new ATOM 0 HB2 LYS A 66 -9.494 10.273 3.665 1.00 0.48 H new ATOM 0 HB3 LYS A 66 -9.744 10.056 1.944 1.00 0.48 H new ATOM 0 HG2 LYS A 66 -9.943 12.488 1.636 1.00 0.76 H new ATOM 0 HG3 LYS A 66 -9.786 12.741 3.363 1.00 0.76 H new ATOM 0 HD2 LYS A 66 -7.530 11.680 3.314 1.00 0.76 H new ATOM 0 HD3 LYS A 66 -7.687 11.426 1.587 1.00 0.76 H new ATOM 0 HE2 LYS A 66 -7.742 14.142 2.965 1.00 1.09 H new ATOM 0 HE3 LYS A 66 -6.348 13.456 2.154 1.00 1.09 H new ATOM 0 HZ1 LYS A 66 -7.143 14.552 0.391 1.00 1.74 H new ATOM 0 HZ2 LYS A 66 -8.236 13.260 0.243 1.00 1.74 H new ATOM 0 HZ3 LYS A 66 -8.711 14.688 1.031 1.00 1.74 H new ATOM 730 N VAL A 67 -12.170 8.423 2.138 1.00 0.41 N ATOM 731 CA VAL A 67 -12.493 7.044 2.172 1.00 0.38 C ATOM 732 C VAL A 67 -12.221 6.415 0.821 1.00 0.52 C ATOM 733 O VAL A 67 -12.707 6.866 -0.216 1.00 0.97 O ATOM 734 CB VAL A 67 -13.944 6.785 2.514 1.00 0.51 C ATOM 735 CG1 VAL A 67 -14.187 6.920 4.008 1.00 0.79 C ATOM 736 CG2 VAL A 67 -14.861 7.689 1.708 1.00 0.57 C ATOM 0 H VAL A 67 -12.188 8.828 1.202 1.00 0.41 H new ATOM 0 HA VAL A 67 -11.870 6.607 2.952 1.00 0.38 H new ATOM 0 HB VAL A 67 -14.179 5.756 2.241 1.00 0.51 H new ATOM 0 HG11 VAL A 67 -15.238 6.729 4.224 1.00 0.79 H new ATOM 0 HG12 VAL A 67 -13.569 6.199 4.544 1.00 0.79 H new ATOM 0 HG13 VAL A 67 -13.928 7.929 4.329 1.00 0.79 H new ATOM 0 HG21 VAL A 67 -15.898 7.483 1.972 1.00 0.57 H new ATOM 0 HG22 VAL A 67 -14.630 8.731 1.928 1.00 0.57 H new ATOM 0 HG23 VAL A 67 -14.713 7.502 0.644 1.00 0.57 H new ATOM 746 N ASP A 68 -11.476 5.360 0.871 1.00 0.33 N ATOM 747 CA ASP A 68 -11.124 4.579 -0.313 1.00 0.42 C ATOM 748 C ASP A 68 -10.452 5.422 -1.399 1.00 0.42 C ATOM 749 O ASP A 68 -10.715 5.233 -2.587 1.00 0.74 O ATOM 750 CB ASP A 68 -12.384 3.923 -0.879 1.00 0.63 C ATOM 751 CG ASP A 68 -12.912 2.817 0.014 1.00 1.05 C ATOM 752 OD1 ASP A 68 -12.132 2.295 0.838 1.00 1.77 O ATOM 753 OD2 ASP A 68 -14.107 2.474 -0.109 1.00 1.71 O ATOM 0 H ASP A 68 -11.080 4.995 1.737 1.00 0.33 H new ATOM 0 HA ASP A 68 -10.403 3.823 -0.002 1.00 0.42 H new ATOM 0 HB2 ASP A 68 -13.157 4.680 -1.010 1.00 0.63 H new ATOM 0 HB3 ASP A 68 -12.166 3.516 -1.866 1.00 0.63 H new ATOM 758 N GLN A 69 -9.576 6.335 -0.998 1.00 0.34 N ATOM 759 CA GLN A 69 -8.867 7.177 -1.959 1.00 0.34 C ATOM 760 C GLN A 69 -7.512 6.572 -2.311 1.00 0.31 C ATOM 761 O GLN A 69 -6.855 5.974 -1.458 1.00 0.33 O ATOM 762 CB GLN A 69 -8.679 8.591 -1.405 1.00 0.38 C ATOM 763 CG GLN A 69 -9.973 9.382 -1.314 1.00 0.44 C ATOM 764 CD GLN A 69 -9.766 10.779 -0.763 1.00 1.19 C ATOM 765 OE1 GLN A 69 -8.677 11.123 -0.309 1.00 1.96 O ATOM 766 NE2 GLN A 69 -10.816 11.592 -0.802 1.00 1.88 N ATOM 0 H GLN A 69 -9.339 6.512 -0.022 1.00 0.34 H new ATOM 0 HA GLN A 69 -9.471 7.233 -2.865 1.00 0.34 H new ATOM 0 HB2 GLN A 69 -8.230 8.528 -0.414 1.00 0.38 H new ATOM 0 HB3 GLN A 69 -7.976 9.131 -2.039 1.00 0.38 H new ATOM 0 HG2 GLN A 69 -10.424 9.449 -2.304 1.00 0.44 H new ATOM 0 HG3 GLN A 69 -10.678 8.846 -0.679 1.00 0.44 H new ATOM 0 HE21 GLN A 69 -11.701 11.264 -1.188 1.00 1.88 H new ATOM 0 HE22 GLN A 69 -10.737 12.545 -0.446 1.00 1.88 H new ATOM 775 N VAL A 70 -7.085 6.735 -3.562 1.00 0.30 N ATOM 776 CA VAL A 70 -5.796 6.203 -3.985 1.00 0.29 C ATOM 777 C VAL A 70 -4.675 6.937 -3.271 1.00 0.28 C ATOM 778 O VAL A 70 -4.616 8.166 -3.277 1.00 0.38 O ATOM 779 CB VAL A 70 -5.584 6.316 -5.490 1.00 0.33 C ATOM 780 CG1 VAL A 70 -4.340 5.548 -5.905 1.00 0.77 C ATOM 781 CG2 VAL A 70 -6.809 5.833 -6.250 1.00 0.74 C ATOM 0 H VAL A 70 -7.606 7.224 -4.290 1.00 0.30 H new ATOM 0 HA VAL A 70 -5.788 5.145 -3.725 1.00 0.29 H new ATOM 0 HB VAL A 70 -5.436 7.366 -5.741 1.00 0.33 H new ATOM 0 HG11 VAL A 70 -4.200 5.637 -6.982 1.00 0.77 H new ATOM 0 HG12 VAL A 70 -3.471 5.958 -5.391 1.00 0.77 H new ATOM 0 HG13 VAL A 70 -4.456 4.497 -5.640 1.00 0.77 H new ATOM 0 HG21 VAL A 70 -6.632 5.924 -7.322 1.00 0.74 H new ATOM 0 HG22 VAL A 70 -7.003 4.790 -6.002 1.00 0.74 H new ATOM 0 HG23 VAL A 70 -7.672 6.439 -5.972 1.00 0.74 H new ATOM 791 N ILE A 71 -3.814 6.173 -2.622 1.00 0.32 N ATOM 792 CA ILE A 71 -2.713 6.737 -1.855 1.00 0.38 C ATOM 793 C ILE A 71 -1.364 6.342 -2.426 1.00 0.33 C ATOM 794 O ILE A 71 -0.536 7.200 -2.726 1.00 0.35 O ATOM 795 CB ILE A 71 -2.840 6.312 -0.371 1.00 0.50 C ATOM 796 CG1 ILE A 71 -1.545 6.541 0.402 1.00 0.56 C ATOM 797 CG2 ILE A 71 -3.277 4.857 -0.257 1.00 1.15 C ATOM 798 CD1 ILE A 71 -0.425 5.598 0.025 1.00 0.26 C ATOM 0 H ILE A 71 -3.855 5.154 -2.610 1.00 0.32 H new ATOM 0 HA ILE A 71 -2.773 7.823 -1.920 1.00 0.38 H new ATOM 0 HB ILE A 71 -3.607 6.944 0.077 1.00 0.50 H new ATOM 0 HG12 ILE A 71 -1.213 7.566 0.238 1.00 0.56 H new ATOM 0 HG13 ILE A 71 -1.748 6.439 1.468 1.00 0.56 H new ATOM 0 HG21 ILE A 71 -3.359 4.583 0.795 1.00 1.15 H new ATOM 0 HG22 ILE A 71 -4.245 4.729 -0.742 1.00 1.15 H new ATOM 0 HG23 ILE A 71 -2.540 4.217 -0.742 1.00 1.15 H new ATOM 0 HD11 ILE A 71 0.459 5.827 0.620 1.00 0.26 H new ATOM 0 HD12 ILE A 71 -0.735 4.571 0.216 1.00 0.26 H new ATOM 0 HD13 ILE A 71 -0.191 5.715 -1.033 1.00 0.26 H new ATOM 810 N ILE A 72 -1.147 5.058 -2.596 1.00 0.29 N ATOM 811 CA ILE A 72 0.096 4.573 -3.159 1.00 0.24 C ATOM 812 C ILE A 72 -0.234 3.495 -4.182 1.00 0.22 C ATOM 813 O ILE A 72 -0.934 2.528 -3.890 1.00 0.27 O ATOM 814 CB ILE A 72 1.059 4.015 -2.062 1.00 0.23 C ATOM 815 CG1 ILE A 72 2.443 3.774 -2.660 1.00 0.21 C ATOM 816 CG2 ILE A 72 0.513 2.731 -1.456 1.00 0.25 C ATOM 817 CD1 ILE A 72 2.554 2.548 -3.535 1.00 0.29 C ATOM 0 H ILE A 72 -1.816 4.327 -2.352 1.00 0.29 H new ATOM 0 HA ILE A 72 0.618 5.403 -3.635 1.00 0.24 H new ATOM 0 HB ILE A 72 1.138 4.754 -1.265 1.00 0.23 H new ATOM 0 HG12 ILE A 72 2.726 4.648 -3.247 1.00 0.21 H new ATOM 0 HG13 ILE A 72 3.164 3.689 -1.847 1.00 0.21 H new ATOM 0 HG21 ILE A 72 1.203 2.365 -0.696 1.00 0.25 H new ATOM 0 HG22 ILE A 72 -0.457 2.928 -1.000 1.00 0.25 H new ATOM 0 HG23 ILE A 72 0.401 1.979 -2.237 1.00 0.25 H new ATOM 0 HD11 ILE A 72 3.573 2.462 -3.913 1.00 0.29 H new ATOM 0 HD12 ILE A 72 2.307 1.661 -2.952 1.00 0.29 H new ATOM 0 HD13 ILE A 72 1.862 2.635 -4.373 1.00 0.29 H new ATOM 829 N LEU A 73 0.238 3.693 -5.397 1.00 0.25 N ATOM 830 CA LEU A 73 -0.039 2.765 -6.479 1.00 0.26 C ATOM 831 C LEU A 73 1.234 2.492 -7.260 1.00 0.27 C ATOM 832 O LEU A 73 2.152 3.292 -7.247 1.00 0.30 O ATOM 833 CB LEU A 73 -1.125 3.360 -7.392 1.00 0.33 C ATOM 834 CG LEU A 73 -1.854 2.377 -8.317 1.00 0.71 C ATOM 835 CD1 LEU A 73 -3.195 2.952 -8.747 1.00 1.30 C ATOM 836 CD2 LEU A 73 -1.010 2.038 -9.539 1.00 1.22 C ATOM 0 H LEU A 73 0.817 4.490 -5.662 1.00 0.25 H new ATOM 0 HA LEU A 73 -0.400 1.820 -6.074 1.00 0.26 H new ATOM 0 HB2 LEU A 73 -1.867 3.852 -6.764 1.00 0.33 H new ATOM 0 HB3 LEU A 73 -0.667 4.133 -8.009 1.00 0.33 H new ATOM 0 HG LEU A 73 -2.025 1.456 -7.760 1.00 0.71 H new ATOM 0 HD11 LEU A 73 -3.701 2.244 -9.403 1.00 1.30 H new ATOM 0 HD12 LEU A 73 -3.811 3.136 -7.867 1.00 1.30 H new ATOM 0 HD13 LEU A 73 -3.035 3.889 -9.280 1.00 1.30 H new ATOM 0 HD21 LEU A 73 -1.554 1.339 -10.175 1.00 1.22 H new ATOM 0 HD22 LEU A 73 -0.798 2.949 -10.099 1.00 1.22 H new ATOM 0 HD23 LEU A 73 -0.073 1.583 -9.219 1.00 1.22 H new ATOM 848 N TYR A 74 1.272 1.367 -7.942 1.00 0.25 N ATOM 849 CA TYR A 74 2.425 0.986 -8.748 1.00 0.27 C ATOM 850 C TYR A 74 1.957 0.423 -10.081 1.00 0.29 C ATOM 851 O TYR A 74 1.490 -0.714 -10.159 1.00 0.29 O ATOM 852 CB TYR A 74 3.265 -0.060 -8.011 1.00 0.28 C ATOM 853 CG TYR A 74 4.508 -0.493 -8.756 1.00 0.33 C ATOM 854 CD1 TYR A 74 4.414 -1.307 -9.876 1.00 1.25 C ATOM 855 CD2 TYR A 74 5.774 -0.095 -8.339 1.00 1.19 C ATOM 856 CE1 TYR A 74 5.543 -1.712 -10.563 1.00 1.30 C ATOM 857 CE2 TYR A 74 6.907 -0.496 -9.021 1.00 1.21 C ATOM 858 CZ TYR A 74 6.786 -1.303 -10.132 1.00 0.50 C ATOM 859 OH TYR A 74 7.913 -1.703 -10.813 1.00 0.60 O ATOM 0 H TYR A 74 0.510 0.689 -7.957 1.00 0.25 H new ATOM 0 HA TYR A 74 3.039 1.870 -8.924 1.00 0.27 H new ATOM 0 HB2 TYR A 74 3.558 0.343 -7.041 1.00 0.28 H new ATOM 0 HB3 TYR A 74 2.646 -0.937 -7.818 1.00 0.28 H new ATOM 0 HD1 TYR A 74 3.441 -1.630 -10.217 1.00 1.25 H new ATOM 0 HD2 TYR A 74 5.873 0.537 -7.469 1.00 1.19 H new ATOM 0 HE1 TYR A 74 5.451 -2.346 -11.433 1.00 1.30 H new ATOM 0 HE2 TYR A 74 7.883 -0.179 -8.685 1.00 1.21 H new ATOM 0 HH TYR A 74 8.708 -1.327 -10.380 1.00 0.60 H new ATOM 869 N SER A 75 2.083 1.224 -11.127 1.00 0.32 N ATOM 870 CA SER A 75 1.670 0.798 -12.465 1.00 0.36 C ATOM 871 C SER A 75 2.612 1.330 -13.542 1.00 0.41 C ATOM 872 O SER A 75 3.312 2.320 -13.333 1.00 0.43 O ATOM 873 CB SER A 75 0.232 1.238 -12.753 1.00 0.39 C ATOM 874 OG SER A 75 -0.237 0.681 -13.969 1.00 0.89 O ATOM 0 H SER A 75 2.465 2.169 -11.082 1.00 0.32 H new ATOM 0 HA SER A 75 1.717 -0.291 -12.489 1.00 0.36 H new ATOM 0 HB2 SER A 75 -0.417 0.930 -11.934 1.00 0.39 H new ATOM 0 HB3 SER A 75 0.185 2.326 -12.805 1.00 0.39 H new ATOM 0 HG SER A 75 -0.992 0.084 -13.785 1.00 0.89 H new ATOM 880 N GLY A 76 2.616 0.671 -14.699 1.00 0.44 N ATOM 881 CA GLY A 76 3.465 1.103 -15.797 1.00 0.50 C ATOM 882 C GLY A 76 4.920 1.215 -15.394 1.00 0.52 C ATOM 883 O GLY A 76 5.665 2.025 -15.944 1.00 0.57 O ATOM 0 H GLY A 76 2.048 -0.153 -14.895 1.00 0.44 H new ATOM 0 HA2 GLY A 76 3.373 0.397 -16.623 1.00 0.50 H new ATOM 0 HA3 GLY A 76 3.117 2.069 -16.163 1.00 0.50 H new ATOM 887 N ASP A 77 5.318 0.409 -14.417 1.00 0.55 N ATOM 888 CA ASP A 77 6.688 0.422 -13.915 1.00 0.63 C ATOM 889 C ASP A 77 6.952 1.668 -13.065 1.00 0.62 C ATOM 890 O ASP A 77 8.059 1.860 -12.564 1.00 0.66 O ATOM 891 CB ASP A 77 7.687 0.355 -15.072 1.00 0.72 C ATOM 892 CG ASP A 77 9.000 -0.284 -14.665 1.00 0.85 C ATOM 893 OD1 ASP A 77 9.374 -0.167 -13.479 1.00 1.40 O ATOM 894 OD2 ASP A 77 9.653 -0.902 -15.531 1.00 1.46 O ATOM 0 H ASP A 77 4.708 -0.265 -13.954 1.00 0.55 H new ATOM 0 HA ASP A 77 6.819 -0.458 -13.285 1.00 0.63 H new ATOM 0 HB2 ASP A 77 7.250 -0.212 -15.894 1.00 0.72 H new ATOM 0 HB3 ASP A 77 7.876 1.362 -15.444 1.00 0.72 H new ATOM 899 N LYS A 78 5.922 2.496 -12.880 1.00 0.64 N ATOM 900 CA LYS A 78 6.042 3.697 -12.063 1.00 0.66 C ATOM 901 C LYS A 78 5.466 3.450 -10.692 1.00 0.58 C ATOM 902 O LYS A 78 4.252 3.297 -10.549 1.00 0.46 O ATOM 903 CB LYS A 78 5.293 4.880 -12.687 1.00 0.66 C ATOM 904 CG LYS A 78 5.940 5.434 -13.944 1.00 0.86 C ATOM 905 CD LYS A 78 5.145 6.600 -14.505 1.00 1.35 C ATOM 906 CE LYS A 78 5.787 7.159 -15.763 1.00 1.65 C ATOM 907 NZ LYS A 78 7.152 7.690 -15.498 1.00 2.41 N ATOM 0 H LYS A 78 4.997 2.354 -13.286 1.00 0.64 H new ATOM 0 HA LYS A 78 7.103 3.938 -11.998 1.00 0.66 H new ATOM 0 HB2 LYS A 78 4.276 4.568 -12.923 1.00 0.66 H new ATOM 0 HB3 LYS A 78 5.218 5.678 -11.949 1.00 0.66 H new ATOM 0 HG2 LYS A 78 6.956 5.758 -13.720 1.00 0.86 H new ATOM 0 HG3 LYS A 78 6.014 4.647 -14.695 1.00 0.86 H new ATOM 0 HD2 LYS A 78 4.129 6.275 -14.728 1.00 1.35 H new ATOM 0 HD3 LYS A 78 5.071 7.386 -13.753 1.00 1.35 H new ATOM 0 HE2 LYS A 78 5.842 6.378 -16.521 1.00 1.65 H new ATOM 0 HE3 LYS A 78 5.160 7.953 -16.169 1.00 1.65 H new ATOM 0 HZ1 LYS A 78 7.469 8.255 -16.312 1.00 2.41 H new ATOM 0 HZ2 LYS A 78 7.133 8.289 -14.648 1.00 2.41 H new ATOM 0 HZ3 LYS A 78 7.810 6.898 -15.349 1.00 2.41 H new ATOM 921 N ILE A 79 6.307 3.453 -9.673 1.00 0.67 N ATOM 922 CA ILE A 79 5.798 3.272 -8.344 1.00 0.62 C ATOM 923 C ILE A 79 5.353 4.615 -7.833 1.00 0.57 C ATOM 924 O ILE A 79 6.137 5.554 -7.699 1.00 0.74 O ATOM 925 CB ILE A 79 6.784 2.571 -7.376 1.00 0.78 C ATOM 926 CG1 ILE A 79 7.061 3.368 -6.108 1.00 0.74 C ATOM 927 CG2 ILE A 79 8.092 2.217 -8.065 1.00 1.44 C ATOM 928 CD1 ILE A 79 5.819 3.756 -5.338 1.00 1.66 C ATOM 0 H ILE A 79 7.317 3.576 -9.745 1.00 0.67 H new ATOM 0 HA ILE A 79 4.954 2.584 -8.390 1.00 0.62 H new ATOM 0 HB ILE A 79 6.282 1.652 -7.072 1.00 0.78 H new ATOM 0 HG12 ILE A 79 7.710 2.781 -5.458 1.00 0.74 H new ATOM 0 HG13 ILE A 79 7.609 4.273 -6.373 1.00 0.74 H new ATOM 0 HG21 ILE A 79 8.757 1.727 -7.354 1.00 1.44 H new ATOM 0 HG22 ILE A 79 7.893 1.544 -8.899 1.00 1.44 H new ATOM 0 HG23 ILE A 79 8.565 3.126 -8.437 1.00 1.44 H new ATOM 0 HD11 ILE A 79 6.103 4.320 -4.450 1.00 1.66 H new ATOM 0 HD12 ILE A 79 5.177 4.371 -5.969 1.00 1.66 H new ATOM 0 HD13 ILE A 79 5.280 2.857 -5.040 1.00 1.66 H new ATOM 940 N TYR A 80 4.073 4.689 -7.591 1.00 0.40 N ATOM 941 CA TYR A 80 3.445 5.898 -7.137 1.00 0.40 C ATOM 942 C TYR A 80 3.217 5.860 -5.628 1.00 0.35 C ATOM 943 O TYR A 80 2.646 4.910 -5.102 1.00 0.34 O ATOM 944 CB TYR A 80 2.123 6.082 -7.876 1.00 0.38 C ATOM 945 CG TYR A 80 2.117 5.579 -9.320 1.00 0.39 C ATOM 946 CD1 TYR A 80 2.822 6.240 -10.332 1.00 1.24 C ATOM 947 CD2 TYR A 80 1.358 4.465 -9.687 1.00 1.24 C ATOM 948 CE1 TYR A 80 2.769 5.808 -11.638 1.00 1.24 C ATOM 949 CE2 TYR A 80 1.299 4.042 -10.998 1.00 1.25 C ATOM 950 CZ TYR A 80 2.005 4.717 -11.969 1.00 0.42 C ATOM 951 OH TYR A 80 1.947 4.301 -13.280 1.00 0.45 O ATOM 0 H TYR A 80 3.431 3.904 -7.705 1.00 0.40 H new ATOM 0 HA TYR A 80 4.100 6.743 -7.350 1.00 0.40 H new ATOM 0 HB2 TYR A 80 1.339 5.564 -7.323 1.00 0.38 H new ATOM 0 HB3 TYR A 80 1.867 7.142 -7.875 1.00 0.38 H new ATOM 0 HD1 TYR A 80 3.419 7.105 -10.084 1.00 1.24 H new ATOM 0 HD2 TYR A 80 0.808 3.926 -8.930 1.00 1.24 H new ATOM 0 HE1 TYR A 80 3.328 6.327 -12.402 1.00 1.24 H new ATOM 0 HE2 TYR A 80 0.700 3.183 -11.263 1.00 1.25 H new ATOM 0 HH TYR A 80 2.667 3.659 -13.452 1.00 0.45 H new ATOM 961 N ASP A 81 3.675 6.910 -4.957 1.00 0.33 N ATOM 962 CA ASP A 81 3.559 7.057 -3.505 1.00 0.29 C ATOM 963 C ASP A 81 3.871 8.501 -3.147 1.00 0.31 C ATOM 964 O ASP A 81 3.066 9.187 -2.525 1.00 0.33 O ATOM 965 CB ASP A 81 4.541 6.124 -2.781 1.00 0.26 C ATOM 966 CG ASP A 81 5.988 6.367 -3.163 1.00 0.31 C ATOM 967 OD1 ASP A 81 6.236 6.800 -4.307 1.00 1.09 O ATOM 968 OD2 ASP A 81 6.874 6.124 -2.316 1.00 1.20 O ATOM 0 H ASP A 81 4.144 7.695 -5.409 1.00 0.33 H new ATOM 0 HA ASP A 81 2.549 6.792 -3.193 1.00 0.29 H new ATOM 0 HB2 ASP A 81 4.429 6.254 -1.705 1.00 0.26 H new ATOM 0 HB3 ASP A 81 4.282 5.089 -3.005 1.00 0.26 H new ATOM 973 N ASP A 82 5.035 8.956 -3.602 1.00 0.32 N ATOM 974 CA ASP A 82 5.477 10.330 -3.394 1.00 0.36 C ATOM 975 C ASP A 82 4.800 11.237 -4.410 1.00 0.41 C ATOM 976 O ASP A 82 4.625 12.434 -4.186 1.00 0.45 O ATOM 977 CB ASP A 82 6.998 10.428 -3.523 1.00 0.40 C ATOM 978 CG ASP A 82 7.532 11.776 -3.080 1.00 1.34 C ATOM 979 OD1 ASP A 82 7.267 12.778 -3.778 1.00 2.08 O ATOM 980 OD2 ASP A 82 8.215 11.830 -2.036 1.00 2.17 O ATOM 0 H ASP A 82 5.697 8.383 -4.125 1.00 0.32 H new ATOM 0 HA ASP A 82 5.200 10.647 -2.388 1.00 0.36 H new ATOM 0 HB2 ASP A 82 7.462 9.643 -2.926 1.00 0.40 H new ATOM 0 HB3 ASP A 82 7.284 10.250 -4.560 1.00 0.40 H new ATOM 985 N TYR A 83 4.401 10.636 -5.524 1.00 0.43 N ATOM 986 CA TYR A 83 3.712 11.348 -6.584 1.00 0.50 C ATOM 987 C TYR A 83 2.257 11.512 -6.187 1.00 0.50 C ATOM 988 O TYR A 83 1.589 12.471 -6.573 1.00 0.56 O ATOM 989 CB TYR A 83 3.807 10.553 -7.878 1.00 0.53 C ATOM 990 CG TYR A 83 5.211 10.105 -8.179 1.00 1.40 C ATOM 991 CD1 TYR A 83 5.684 8.903 -7.681 1.00 2.33 C ATOM 992 CD2 TYR A 83 6.062 10.881 -8.949 1.00 2.31 C ATOM 993 CE1 TYR A 83 6.972 8.479 -7.943 1.00 3.45 C ATOM 994 CE2 TYR A 83 7.353 10.467 -9.220 1.00 3.41 C ATOM 995 CZ TYR A 83 7.804 9.264 -8.714 1.00 3.83 C ATOM 996 OH TYR A 83 9.089 8.847 -8.980 1.00 5.05 O ATOM 0 H TYR A 83 4.547 9.645 -5.714 1.00 0.43 H new ATOM 0 HA TYR A 83 4.168 12.326 -6.737 1.00 0.50 H new ATOM 0 HB2 TYR A 83 3.157 9.680 -7.813 1.00 0.53 H new ATOM 0 HB3 TYR A 83 3.439 11.163 -8.703 1.00 0.53 H new ATOM 0 HD1 TYR A 83 5.035 8.286 -7.077 1.00 2.33 H new ATOM 0 HD2 TYR A 83 5.712 11.823 -9.343 1.00 2.31 H new ATOM 0 HE1 TYR A 83 7.326 7.539 -7.547 1.00 3.45 H new ATOM 0 HE2 TYR A 83 8.005 11.081 -9.824 1.00 3.41 H new ATOM 0 HH TYR A 83 9.541 9.515 -9.537 1.00 5.05 H new ATOM 1006 N TYR A 84 1.783 10.553 -5.395 1.00 0.44 N ATOM 1007 CA TYR A 84 0.413 10.564 -4.913 1.00 0.45 C ATOM 1008 C TYR A 84 0.283 11.463 -3.700 1.00 0.47 C ATOM 1009 O TYR A 84 0.858 11.174 -2.652 1.00 0.48 O ATOM 1010 CB TYR A 84 -0.034 9.149 -4.540 1.00 0.41 C ATOM 1011 CG TYR A 84 -0.949 8.555 -5.563 1.00 0.39 C ATOM 1012 CD1 TYR A 84 -2.198 9.105 -5.768 1.00 1.27 C ATOM 1013 CD2 TYR A 84 -0.563 7.472 -6.336 1.00 1.23 C ATOM 1014 CE1 TYR A 84 -3.051 8.599 -6.709 1.00 1.29 C ATOM 1015 CE2 TYR A 84 -1.407 6.951 -7.295 1.00 1.23 C ATOM 1016 CZ TYR A 84 -2.658 7.519 -7.480 1.00 0.40 C ATOM 1017 OH TYR A 84 -3.509 7.011 -8.435 1.00 0.41 O ATOM 0 H TYR A 84 2.334 9.757 -5.075 1.00 0.44 H new ATOM 0 HA TYR A 84 -0.222 10.945 -5.713 1.00 0.45 H new ATOM 0 HB2 TYR A 84 0.843 8.512 -4.426 1.00 0.41 H new ATOM 0 HB3 TYR A 84 -0.539 9.172 -3.574 1.00 0.41 H new ATOM 0 HD1 TYR A 84 -2.508 9.952 -5.173 1.00 1.27 H new ATOM 0 HD2 TYR A 84 0.411 7.030 -6.186 1.00 1.23 H new ATOM 0 HE1 TYR A 84 -4.027 9.040 -6.850 1.00 1.29 H new ATOM 0 HE2 TYR A 84 -1.096 6.109 -7.896 1.00 1.23 H new ATOM 0 HH TYR A 84 -3.079 6.255 -8.887 1.00 0.41 H new ATOM 1027 N PRO A 85 -0.494 12.556 -3.801 1.00 0.54 N ATOM 1028 CA PRO A 85 -0.693 13.459 -2.679 1.00 0.58 C ATOM 1029 C PRO A 85 -1.007 12.677 -1.423 1.00 0.53 C ATOM 1030 O PRO A 85 -0.490 12.975 -0.344 1.00 0.54 O ATOM 1031 CB PRO A 85 -1.886 14.334 -3.100 1.00 0.67 C ATOM 1032 CG PRO A 85 -2.397 13.745 -4.377 1.00 0.79 C ATOM 1033 CD PRO A 85 -1.253 12.982 -4.982 1.00 0.63 C ATOM 0 HA PRO A 85 0.192 14.054 -2.454 1.00 0.58 H new ATOM 0 HB2 PRO A 85 -2.660 14.334 -2.333 1.00 0.67 H new ATOM 0 HB3 PRO A 85 -1.579 15.370 -3.243 1.00 0.67 H new ATOM 0 HG2 PRO A 85 -3.246 13.087 -4.189 1.00 0.79 H new ATOM 0 HG3 PRO A 85 -2.743 14.526 -5.054 1.00 0.79 H new ATOM 0 HD2 PRO A 85 -1.598 12.132 -5.570 1.00 0.63 H new ATOM 0 HD3 PRO A 85 -0.655 13.607 -5.645 1.00 0.63 H new ATOM 1041 N ASP A 86 -1.829 11.647 -1.574 1.00 0.51 N ATOM 1042 CA ASP A 86 -2.171 10.815 -0.444 1.00 0.51 C ATOM 1043 C ASP A 86 -0.947 10.038 0.044 1.00 0.58 C ATOM 1044 O ASP A 86 -0.519 9.068 -0.579 1.00 1.19 O ATOM 1045 CB ASP A 86 -3.317 9.871 -0.809 1.00 0.50 C ATOM 1046 CG ASP A 86 -4.672 10.546 -0.717 1.00 0.67 C ATOM 1047 OD1 ASP A 86 -4.769 11.595 -0.046 1.00 1.33 O ATOM 1048 OD2 ASP A 86 -5.636 10.024 -1.314 1.00 1.36 O ATOM 0 H ASP A 86 -2.262 11.376 -2.457 1.00 0.51 H new ATOM 0 HA ASP A 86 -2.505 11.454 0.373 1.00 0.51 H new ATOM 0 HB2 ASP A 86 -3.168 9.497 -1.822 1.00 0.50 H new ATOM 0 HB3 ASP A 86 -3.298 9.007 -0.145 1.00 0.50 H new ATOM 1053 N LEU A 87 -0.402 10.484 1.171 1.00 0.47 N ATOM 1054 CA LEU A 87 0.764 9.855 1.803 1.00 0.40 C ATOM 1055 C LEU A 87 2.061 10.004 0.999 1.00 0.34 C ATOM 1056 O LEU A 87 2.990 9.206 1.150 1.00 0.31 O ATOM 1057 CB LEU A 87 0.491 8.372 2.071 1.00 0.42 C ATOM 1058 CG LEU A 87 -0.698 8.066 2.997 1.00 0.72 C ATOM 1059 CD1 LEU A 87 -0.540 6.687 3.620 1.00 1.24 C ATOM 1060 CD2 LEU A 87 -0.849 9.122 4.088 1.00 1.62 C ATOM 0 H LEU A 87 -0.755 11.296 1.678 1.00 0.47 H new ATOM 0 HA LEU A 87 0.916 10.388 2.742 1.00 0.40 H new ATOM 0 HB2 LEU A 87 0.320 7.875 1.116 1.00 0.42 H new ATOM 0 HB3 LEU A 87 1.388 7.930 2.505 1.00 0.42 H new ATOM 0 HG LEU A 87 -1.603 8.084 2.390 1.00 0.72 H new ATOM 0 HD11 LEU A 87 -1.389 6.483 4.273 1.00 1.24 H new ATOM 0 HD12 LEU A 87 -0.499 5.934 2.833 1.00 1.24 H new ATOM 0 HD13 LEU A 87 0.381 6.654 4.201 1.00 1.24 H new ATOM 0 HD21 LEU A 87 -1.699 8.871 4.722 1.00 1.62 H new ATOM 0 HD22 LEU A 87 0.058 9.153 4.692 1.00 1.62 H new ATOM 0 HD23 LEU A 87 -1.013 10.097 3.630 1.00 1.62 H new ATOM 1072 N LYS A 88 2.152 11.024 0.162 1.00 0.35 N ATOM 1073 CA LYS A 88 3.379 11.241 -0.602 1.00 0.33 C ATOM 1074 C LYS A 88 4.589 11.348 0.317 1.00 0.33 C ATOM 1075 O LYS A 88 4.606 12.157 1.244 1.00 0.57 O ATOM 1076 CB LYS A 88 3.271 12.497 -1.470 1.00 0.44 C ATOM 1077 CG LYS A 88 3.170 13.785 -0.670 1.00 1.19 C ATOM 1078 CD LYS A 88 2.881 14.975 -1.571 1.00 1.20 C ATOM 1079 CE LYS A 88 3.020 16.290 -0.821 1.00 1.92 C ATOM 1080 NZ LYS A 88 3.628 17.351 -1.670 1.00 2.39 N ATOM 0 H LYS A 88 1.411 11.704 -0.007 1.00 0.35 H new ATOM 0 HA LYS A 88 3.514 10.377 -1.253 1.00 0.33 H new ATOM 0 HB2 LYS A 88 4.142 12.553 -2.123 1.00 0.44 H new ATOM 0 HB3 LYS A 88 2.395 12.409 -2.113 1.00 0.44 H new ATOM 0 HG2 LYS A 88 2.381 13.691 0.076 1.00 1.19 H new ATOM 0 HG3 LYS A 88 4.101 13.954 -0.129 1.00 1.19 H new ATOM 0 HD2 LYS A 88 3.565 14.965 -2.419 1.00 1.20 H new ATOM 0 HD3 LYS A 88 1.872 14.890 -1.975 1.00 1.20 H new ATOM 0 HE2 LYS A 88 2.039 16.618 -0.478 1.00 1.92 H new ATOM 0 HE3 LYS A 88 3.634 16.139 0.067 1.00 1.92 H new ATOM 0 HZ1 LYS A 88 3.706 18.232 -1.122 1.00 2.39 H new ATOM 0 HZ2 LYS A 88 4.575 17.050 -1.977 1.00 2.39 H new ATOM 0 HZ3 LYS A 88 3.029 17.514 -2.504 1.00 2.39 H new ATOM 1094 N GLY A 89 5.611 10.550 0.033 1.00 0.33 N ATOM 1095 CA GLY A 89 6.819 10.600 0.824 1.00 0.37 C ATOM 1096 C GLY A 89 6.855 9.617 1.977 1.00 0.28 C ATOM 1097 O GLY A 89 7.676 9.769 2.882 1.00 0.29 O ATOM 0 H GLY A 89 5.622 9.872 -0.729 1.00 0.33 H new ATOM 0 HA2 GLY A 89 7.673 10.409 0.173 1.00 0.37 H new ATOM 0 HA3 GLY A 89 6.938 11.609 1.219 1.00 0.37 H new ATOM 1101 N ARG A 90 5.970 8.622 1.984 1.00 0.24 N ATOM 1102 CA ARG A 90 5.962 7.674 3.096 1.00 0.22 C ATOM 1103 C ARG A 90 5.639 6.273 2.710 1.00 0.20 C ATOM 1104 O ARG A 90 6.320 5.345 3.133 1.00 0.21 O ATOM 1105 CB ARG A 90 4.935 8.123 4.126 1.00 0.26 C ATOM 1106 CG ARG A 90 3.540 8.288 3.525 1.00 0.29 C ATOM 1107 CD ARG A 90 2.534 8.708 4.584 1.00 0.39 C ATOM 1108 NE ARG A 90 2.467 10.163 4.730 1.00 0.81 N ATOM 1109 CZ ARG A 90 2.870 10.830 5.810 1.00 1.14 C ATOM 1110 NH1 ARG A 90 3.396 10.188 6.846 1.00 1.59 N ATOM 1111 NH2 ARG A 90 2.751 12.150 5.850 1.00 1.52 N ATOM 0 H ARG A 90 5.272 8.454 1.260 1.00 0.24 H new ATOM 0 HA ARG A 90 6.978 7.671 3.490 1.00 0.22 H new ATOM 0 HB2 ARG A 90 4.895 7.395 4.936 1.00 0.26 H new ATOM 0 HB3 ARG A 90 5.253 9.069 4.564 1.00 0.26 H new ATOM 0 HG2 ARG A 90 3.569 9.034 2.730 1.00 0.29 H new ATOM 0 HG3 ARG A 90 3.223 7.349 3.070 1.00 0.29 H new ATOM 0 HD2 ARG A 90 1.548 8.324 4.320 1.00 0.39 H new ATOM 0 HD3 ARG A 90 2.805 8.260 5.540 1.00 0.39 H new ATOM 0 HE ARG A 90 2.086 10.702 3.952 1.00 0.81 H new ATOM 0 HH11 ARG A 90 3.495 9.173 6.820 1.00 1.59 H new ATOM 0 HH12 ARG A 90 3.701 10.710 7.668 1.00 1.59 H new ATOM 0 HH21 ARG A 90 2.352 12.650 5.056 1.00 1.52 H new ATOM 0 HH22 ARG A 90 3.058 12.665 6.675 1.00 1.52 H new ATOM 1125 N VAL A 91 4.608 6.101 1.951 1.00 0.19 N ATOM 1126 CA VAL A 91 4.230 4.780 1.589 1.00 0.18 C ATOM 1127 C VAL A 91 5.141 4.331 0.473 1.00 0.18 C ATOM 1128 O VAL A 91 4.844 4.438 -0.713 1.00 0.18 O ATOM 1129 CB VAL A 91 2.786 4.767 1.153 1.00 0.19 C ATOM 1130 CG1 VAL A 91 2.622 5.734 -0.015 1.00 0.20 C ATOM 1131 CG2 VAL A 91 2.364 3.343 0.836 1.00 0.20 C ATOM 0 H VAL A 91 4.022 6.846 1.576 1.00 0.19 H new ATOM 0 HA VAL A 91 4.326 4.099 2.434 1.00 0.18 H new ATOM 0 HB VAL A 91 2.123 5.109 1.948 1.00 0.19 H new ATOM 0 HG11 VAL A 91 1.582 5.736 -0.342 1.00 0.20 H new ATOM 0 HG12 VAL A 91 2.905 6.738 0.301 1.00 0.20 H new ATOM 0 HG13 VAL A 91 3.261 5.420 -0.840 1.00 0.20 H new ATOM 0 HG21 VAL A 91 1.321 3.334 0.521 1.00 0.20 H new ATOM 0 HG22 VAL A 91 2.988 2.948 0.034 1.00 0.20 H new ATOM 0 HG23 VAL A 91 2.480 2.723 1.725 1.00 0.20 H new ATOM 1141 N HIS A 92 6.293 3.899 0.912 1.00 0.18 N ATOM 1142 CA HIS A 92 7.373 3.494 0.057 1.00 0.20 C ATOM 1143 C HIS A 92 7.503 1.966 -0.035 1.00 0.18 C ATOM 1144 O HIS A 92 7.554 1.291 0.991 1.00 0.19 O ATOM 1145 CB HIS A 92 8.605 4.159 0.674 1.00 0.22 C ATOM 1146 CG HIS A 92 8.838 5.535 0.161 1.00 0.24 C ATOM 1147 ND1 HIS A 92 8.175 6.616 0.684 1.00 0.24 N ATOM 1148 CD2 HIS A 92 9.644 6.019 -0.812 1.00 0.28 C ATOM 1149 CE1 HIS A 92 8.549 7.706 0.064 1.00 0.27 C ATOM 1150 NE2 HIS A 92 9.446 7.380 -0.853 1.00 0.29 N ATOM 0 H HIS A 92 6.511 3.817 1.905 1.00 0.18 H new ATOM 0 HA HIS A 92 7.221 3.800 -0.978 1.00 0.20 H new ATOM 0 HB2 HIS A 92 8.488 4.196 1.757 1.00 0.22 H new ATOM 0 HB3 HIS A 92 9.483 3.547 0.469 1.00 0.22 H new ATOM 0 HD2 HIS A 92 10.314 5.447 -1.437 1.00 0.28 H new ATOM 0 HE1 HIS A 92 8.187 8.703 0.266 1.00 0.27 H new ATOM 0 HE2 HIS A 92 9.913 8.030 -1.485 1.00 0.29 H new ATOM 1159 N PHE A 93 7.567 1.411 -1.263 1.00 0.18 N ATOM 1160 CA PHE A 93 7.698 -0.037 -1.406 1.00 0.18 C ATOM 1161 C PHE A 93 9.086 -0.453 -0.975 1.00 0.20 C ATOM 1162 O PHE A 93 10.089 -0.005 -1.530 1.00 0.21 O ATOM 1163 CB PHE A 93 7.461 -0.541 -2.841 1.00 0.19 C ATOM 1164 CG PHE A 93 6.070 -0.353 -3.410 1.00 0.19 C ATOM 1165 CD1 PHE A 93 4.949 -1.089 -2.970 1.00 1.19 C ATOM 1166 CD2 PHE A 93 5.897 0.556 -4.441 1.00 1.23 C ATOM 1167 CE1 PHE A 93 3.706 -0.881 -3.566 1.00 1.19 C ATOM 1168 CE2 PHE A 93 4.666 0.747 -5.029 1.00 1.23 C ATOM 1169 CZ PHE A 93 3.570 0.033 -4.594 1.00 0.22 C ATOM 0 H PHE A 93 7.531 1.932 -2.139 1.00 0.18 H new ATOM 0 HA PHE A 93 6.926 -0.482 -0.778 1.00 0.18 H new ATOM 0 HB2 PHE A 93 8.168 -0.037 -3.499 1.00 0.19 H new ATOM 0 HB3 PHE A 93 7.700 -1.604 -2.871 1.00 0.19 H new ATOM 0 HD1 PHE A 93 5.054 -1.811 -2.174 1.00 1.19 H new ATOM 0 HD2 PHE A 93 6.745 1.127 -4.791 1.00 1.23 H new ATOM 0 HE1 PHE A 93 2.846 -1.436 -3.223 1.00 1.19 H new ATOM 0 HE2 PHE A 93 4.559 1.459 -5.834 1.00 1.23 H new ATOM 0 HZ PHE A 93 2.606 0.188 -5.056 1.00 0.22 H new ATOM 1179 N THR A 94 9.130 -1.314 0.021 1.00 0.22 N ATOM 1180 CA THR A 94 10.381 -1.808 0.548 1.00 0.26 C ATOM 1181 C THR A 94 11.050 -2.743 -0.455 1.00 0.27 C ATOM 1182 O THR A 94 12.209 -3.125 -0.290 1.00 0.46 O ATOM 1183 CB THR A 94 10.116 -2.524 1.866 1.00 0.32 C ATOM 1184 OG1 THR A 94 9.462 -3.761 1.639 1.00 0.39 O ATOM 1185 CG2 THR A 94 9.249 -1.708 2.804 1.00 0.36 C ATOM 0 H THR A 94 8.302 -1.688 0.485 1.00 0.22 H new ATOM 0 HA THR A 94 11.059 -0.973 0.725 1.00 0.26 H new ATOM 0 HB THR A 94 11.091 -2.678 2.327 1.00 0.32 H new ATOM 0 HG1 THR A 94 8.722 -3.861 2.274 1.00 0.39 H new ATOM 0 HG21 THR A 94 9.090 -2.263 3.728 1.00 0.36 H new ATOM 0 HG22 THR A 94 9.745 -0.764 3.029 1.00 0.36 H new ATOM 0 HG23 THR A 94 8.288 -1.509 2.330 1.00 0.36 H new ATOM 1193 N SER A 95 10.307 -3.100 -1.501 1.00 0.28 N ATOM 1194 CA SER A 95 10.815 -3.977 -2.540 1.00 0.33 C ATOM 1195 C SER A 95 11.404 -3.160 -3.676 1.00 0.36 C ATOM 1196 O SER A 95 10.714 -2.347 -4.291 1.00 0.39 O ATOM 1197 CB SER A 95 9.700 -4.881 -3.065 1.00 0.37 C ATOM 1198 OG SER A 95 9.218 -5.738 -2.046 1.00 1.20 O ATOM 0 H SER A 95 9.346 -2.790 -1.647 1.00 0.28 H new ATOM 0 HA SER A 95 11.600 -4.602 -2.114 1.00 0.33 H new ATOM 0 HB2 SER A 95 8.882 -4.270 -3.448 1.00 0.37 H new ATOM 0 HB3 SER A 95 10.072 -5.476 -3.899 1.00 0.37 H new ATOM 0 HG SER A 95 8.280 -5.526 -1.857 1.00 1.20 H new ATOM 1204 N ASN A 96 12.674 -3.384 -3.958 1.00 0.48 N ATOM 1205 CA ASN A 96 13.345 -2.671 -5.028 1.00 0.60 C ATOM 1206 C ASN A 96 13.186 -3.423 -6.349 1.00 0.63 C ATOM 1207 O ASN A 96 13.707 -3.008 -7.383 1.00 0.84 O ATOM 1208 CB ASN A 96 14.821 -2.483 -4.689 1.00 0.77 C ATOM 1209 CG ASN A 96 15.513 -1.513 -5.626 1.00 1.38 C ATOM 1210 OD1 ASN A 96 14.867 -0.691 -6.276 1.00 2.22 O ATOM 1211 ND2 ASN A 96 16.836 -1.603 -5.700 1.00 1.85 N ATOM 0 H ASN A 96 13.261 -4.054 -3.461 1.00 0.48 H new ATOM 0 HA ASN A 96 12.887 -1.688 -5.137 1.00 0.60 H new ATOM 0 HB2 ASN A 96 14.912 -2.121 -3.665 1.00 0.77 H new ATOM 0 HB3 ASN A 96 15.326 -3.448 -4.732 1.00 0.77 H new ATOM 0 HD21 ASN A 96 17.356 -0.976 -6.313 1.00 1.85 H new ATOM 0 HD22 ASN A 96 17.332 -2.299 -5.143 1.00 1.85 H new ATOM 1218 N ASP A 97 12.444 -4.527 -6.294 1.00 0.53 N ATOM 1219 CA ASP A 97 12.178 -5.356 -7.455 1.00 0.56 C ATOM 1220 C ASP A 97 10.780 -5.941 -7.331 1.00 0.48 C ATOM 1221 O ASP A 97 10.603 -7.146 -7.152 1.00 0.45 O ATOM 1222 CB ASP A 97 13.212 -6.479 -7.572 1.00 0.63 C ATOM 1223 CG ASP A 97 14.571 -5.977 -8.021 1.00 1.38 C ATOM 1224 OD1 ASP A 97 14.631 -4.888 -8.628 1.00 2.14 O ATOM 1225 OD2 ASP A 97 15.575 -6.674 -7.766 1.00 2.07 O ATOM 0 H ASP A 97 12.011 -4.869 -5.436 1.00 0.53 H new ATOM 0 HA ASP A 97 12.246 -4.745 -8.355 1.00 0.56 H new ATOM 0 HB2 ASP A 97 13.313 -6.976 -6.607 1.00 0.63 H new ATOM 0 HB3 ASP A 97 12.853 -7.226 -8.280 1.00 0.63 H new ATOM 1230 N LEU A 98 9.791 -5.062 -7.402 1.00 0.46 N ATOM 1231 CA LEU A 98 8.394 -5.455 -7.273 1.00 0.44 C ATOM 1232 C LEU A 98 8.015 -6.509 -8.302 1.00 0.48 C ATOM 1233 O LEU A 98 7.132 -7.331 -8.060 1.00 0.46 O ATOM 1234 CB LEU A 98 7.480 -4.238 -7.423 1.00 0.51 C ATOM 1235 CG LEU A 98 7.456 -3.290 -6.224 1.00 0.87 C ATOM 1236 CD1 LEU A 98 8.586 -2.277 -6.320 1.00 1.41 C ATOM 1237 CD2 LEU A 98 6.111 -2.586 -6.137 1.00 1.49 C ATOM 0 H LEU A 98 9.932 -4.063 -7.550 1.00 0.46 H new ATOM 0 HA LEU A 98 8.265 -5.884 -6.279 1.00 0.44 H new ATOM 0 HB2 LEU A 98 7.791 -3.676 -8.304 1.00 0.51 H new ATOM 0 HB3 LEU A 98 6.465 -4.587 -7.610 1.00 0.51 H new ATOM 0 HG LEU A 98 7.600 -3.875 -5.316 1.00 0.87 H new ATOM 0 HD11 LEU A 98 8.552 -1.611 -5.458 1.00 1.41 H new ATOM 0 HD12 LEU A 98 9.542 -2.799 -6.338 1.00 1.41 H new ATOM 0 HD13 LEU A 98 8.475 -1.693 -7.234 1.00 1.41 H new ATOM 0 HD21 LEU A 98 6.107 -1.914 -5.279 1.00 1.49 H new ATOM 0 HD22 LEU A 98 5.941 -2.012 -7.048 1.00 1.49 H new ATOM 0 HD23 LEU A 98 5.320 -3.326 -6.021 1.00 1.49 H new ATOM 1249 N LYS A 99 8.683 -6.489 -9.447 1.00 0.55 N ATOM 1250 CA LYS A 99 8.403 -7.455 -10.502 1.00 0.62 C ATOM 1251 C LYS A 99 8.696 -8.880 -10.056 1.00 0.58 C ATOM 1252 O LYS A 99 8.397 -9.844 -10.762 1.00 0.63 O ATOM 1253 CB LYS A 99 9.175 -7.108 -11.775 1.00 0.75 C ATOM 1254 CG LYS A 99 8.706 -5.817 -12.428 1.00 0.84 C ATOM 1255 CD LYS A 99 9.496 -5.507 -13.689 1.00 1.12 C ATOM 1256 CE LYS A 99 10.966 -5.276 -13.380 1.00 1.45 C ATOM 1257 NZ LYS A 99 11.738 -4.912 -14.600 1.00 2.04 N ATOM 0 H LYS A 99 9.419 -5.819 -9.669 1.00 0.55 H new ATOM 0 HA LYS A 99 7.337 -7.399 -10.723 1.00 0.62 H new ATOM 0 HB2 LYS A 99 10.235 -7.023 -11.537 1.00 0.75 H new ATOM 0 HB3 LYS A 99 9.073 -7.926 -12.488 1.00 0.75 H new ATOM 0 HG2 LYS A 99 7.647 -5.896 -12.672 1.00 0.84 H new ATOM 0 HG3 LYS A 99 8.809 -4.993 -11.722 1.00 0.84 H new ATOM 0 HD2 LYS A 99 9.396 -6.332 -14.395 1.00 1.12 H new ATOM 0 HD3 LYS A 99 9.081 -4.622 -14.172 1.00 1.12 H new ATOM 0 HE2 LYS A 99 11.061 -4.482 -12.640 1.00 1.45 H new ATOM 0 HE3 LYS A 99 11.390 -6.177 -12.937 1.00 1.45 H new ATOM 0 HZ1 LYS A 99 12.736 -4.763 -14.348 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 11.668 -5.681 -15.297 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 11.350 -4.038 -15.009 1.00 2.04 H new ATOM 1271 N SER A 100 9.260 -8.994 -8.876 1.00 0.50 N ATOM 1272 CA SER A 100 9.585 -10.287 -8.289 1.00 0.49 C ATOM 1273 C SER A 100 8.393 -10.842 -7.508 1.00 0.42 C ATOM 1274 O SER A 100 8.445 -11.959 -6.992 1.00 0.44 O ATOM 1275 CB SER A 100 10.800 -10.166 -7.367 1.00 0.50 C ATOM 1276 OG SER A 100 11.992 -9.996 -8.114 1.00 1.40 O ATOM 0 H SER A 100 9.509 -8.197 -8.290 1.00 0.50 H new ATOM 0 HA SER A 100 9.823 -10.976 -9.100 1.00 0.49 H new ATOM 0 HB2 SER A 100 10.666 -9.320 -6.693 1.00 0.50 H new ATOM 0 HB3 SER A 100 10.880 -11.059 -6.747 1.00 0.50 H new ATOM 0 HG SER A 100 12.754 -9.919 -7.502 1.00 1.40 H new ATOM 1282 N GLY A 101 7.315 -10.061 -7.434 1.00 0.38 N ATOM 1283 CA GLY A 101 6.127 -10.500 -6.725 1.00 0.35 C ATOM 1284 C GLY A 101 5.878 -9.750 -5.428 1.00 0.31 C ATOM 1285 O GLY A 101 4.792 -9.846 -4.858 1.00 0.31 O ATOM 0 H GLY A 101 7.246 -9.134 -7.853 1.00 0.38 H new ATOM 0 HA2 GLY A 101 5.261 -10.380 -7.376 1.00 0.35 H new ATOM 0 HA3 GLY A 101 6.217 -11.564 -6.507 1.00 0.35 H new ATOM 1289 N ASP A 102 6.869 -9.000 -4.961 1.00 0.32 N ATOM 1290 CA ASP A 102 6.723 -8.234 -3.725 1.00 0.29 C ATOM 1291 C ASP A 102 6.300 -6.803 -4.033 1.00 0.31 C ATOM 1292 O ASP A 102 7.076 -6.019 -4.575 1.00 0.36 O ATOM 1293 CB ASP A 102 8.037 -8.232 -2.943 1.00 0.32 C ATOM 1294 CG ASP A 102 8.366 -9.591 -2.358 1.00 0.71 C ATOM 1295 OD1 ASP A 102 7.442 -10.419 -2.226 1.00 1.42 O ATOM 1296 OD2 ASP A 102 9.549 -9.828 -2.036 1.00 1.44 O ATOM 0 H ASP A 102 7.778 -8.905 -5.415 1.00 0.32 H new ATOM 0 HA ASP A 102 5.951 -8.706 -3.117 1.00 0.29 H new ATOM 0 HB2 ASP A 102 8.847 -7.917 -3.601 1.00 0.32 H new ATOM 0 HB3 ASP A 102 7.976 -7.499 -2.139 1.00 0.32 H new ATOM 1301 N ALA A 103 5.063 -6.470 -3.692 1.00 0.31 N ATOM 1302 CA ALA A 103 4.535 -5.132 -3.947 1.00 0.34 C ATOM 1303 C ALA A 103 4.369 -4.328 -2.656 1.00 0.28 C ATOM 1304 O ALA A 103 3.639 -3.345 -2.620 1.00 0.30 O ATOM 1305 CB ALA A 103 3.203 -5.249 -4.674 1.00 0.43 C ATOM 0 H ALA A 103 4.405 -7.105 -3.239 1.00 0.31 H new ATOM 0 HA ALA A 103 5.251 -4.595 -4.569 1.00 0.34 H new ATOM 0 HB1 ALA A 103 2.805 -4.253 -4.867 1.00 0.43 H new ATOM 0 HB2 ALA A 103 3.349 -5.770 -5.620 1.00 0.43 H new ATOM 0 HB3 ALA A 103 2.499 -5.808 -4.057 1.00 0.43 H new ATOM 1311 N SER A 104 5.012 -4.788 -1.594 1.00 0.25 N ATOM 1312 CA SER A 104 4.921 -4.148 -0.280 1.00 0.21 C ATOM 1313 C SER A 104 5.392 -2.703 -0.205 1.00 0.18 C ATOM 1314 O SER A 104 6.418 -2.333 -0.773 1.00 0.21 O ATOM 1315 CB SER A 104 5.638 -4.997 0.769 1.00 0.22 C ATOM 1316 OG SER A 104 5.280 -6.363 0.648 1.00 1.04 O ATOM 0 H SER A 104 5.612 -5.613 -1.613 1.00 0.25 H new ATOM 0 HA SER A 104 3.852 -4.093 -0.075 1.00 0.21 H new ATOM 0 HB2 SER A 104 6.717 -4.889 0.655 1.00 0.22 H new ATOM 0 HB3 SER A 104 5.386 -4.638 1.767 1.00 0.22 H new ATOM 0 HG SER A 104 5.788 -6.893 1.297 1.00 1.04 H new ATOM 1322 N ILE A 105 4.629 -1.913 0.566 1.00 0.18 N ATOM 1323 CA ILE A 105 4.921 -0.505 0.812 1.00 0.17 C ATOM 1324 C ILE A 105 4.883 -0.205 2.294 1.00 0.17 C ATOM 1325 O ILE A 105 3.957 -0.609 2.998 1.00 0.22 O ATOM 1326 CB ILE A 105 3.914 0.461 0.136 1.00 0.19 C ATOM 1327 CG1 ILE A 105 2.575 -0.223 -0.150 1.00 0.27 C ATOM 1328 CG2 ILE A 105 4.492 1.080 -1.122 1.00 0.31 C ATOM 1329 CD1 ILE A 105 1.544 0.032 0.929 1.00 0.22 C ATOM 0 H ILE A 105 3.787 -2.243 1.037 1.00 0.18 H new ATOM 0 HA ILE A 105 5.911 -0.342 0.387 1.00 0.17 H new ATOM 0 HB ILE A 105 3.724 1.268 0.844 1.00 0.19 H new ATOM 0 HG12 ILE A 105 2.189 0.130 -1.106 1.00 0.27 H new ATOM 0 HG13 ILE A 105 2.734 -1.297 -0.248 1.00 0.27 H new ATOM 0 HG21 ILE A 105 3.758 1.751 -1.568 1.00 0.31 H new ATOM 0 HG22 ILE A 105 5.392 1.642 -0.871 1.00 0.31 H new ATOM 0 HG23 ILE A 105 4.743 0.293 -1.833 1.00 0.31 H new ATOM 0 HD11 ILE A 105 0.615 -0.477 0.672 1.00 0.22 H new ATOM 0 HD12 ILE A 105 1.914 -0.346 1.882 1.00 0.22 H new ATOM 0 HD13 ILE A 105 1.360 1.103 1.010 1.00 0.22 H new ATOM 1341 N ASN A 106 5.870 0.543 2.757 1.00 0.19 N ATOM 1342 CA ASN A 106 5.913 0.932 4.146 1.00 0.21 C ATOM 1343 C ASN A 106 5.686 2.426 4.229 1.00 0.20 C ATOM 1344 O ASN A 106 6.091 3.160 3.336 1.00 0.21 O ATOM 1345 CB ASN A 106 7.241 0.534 4.795 1.00 0.24 C ATOM 1346 CG ASN A 106 8.427 1.270 4.203 1.00 0.49 C ATOM 1347 OD1 ASN A 106 8.282 2.059 3.270 1.00 1.15 O ATOM 1348 ND2 ASN A 106 9.612 1.012 4.744 1.00 1.06 N ATOM 0 H ASN A 106 6.645 0.889 2.191 1.00 0.19 H new ATOM 0 HA ASN A 106 5.130 0.411 4.697 1.00 0.21 H new ATOM 0 HB2 ASN A 106 7.192 0.735 5.865 1.00 0.24 H new ATOM 0 HB3 ASN A 106 7.390 -0.539 4.678 1.00 0.24 H new ATOM 0 HD21 ASN A 106 10.447 1.476 4.387 1.00 1.06 H new ATOM 0 HD22 ASN A 106 9.687 0.350 5.517 1.00 1.06 H new ATOM 1355 N VAL A 107 5.010 2.873 5.272 1.00 0.22 N ATOM 1356 CA VAL A 107 4.708 4.279 5.416 1.00 0.22 C ATOM 1357 C VAL A 107 5.694 4.965 6.335 1.00 0.23 C ATOM 1358 O VAL A 107 5.808 4.626 7.503 1.00 0.24 O ATOM 1359 CB VAL A 107 3.311 4.502 5.991 1.00 0.24 C ATOM 1360 CG1 VAL A 107 2.552 5.556 5.199 1.00 0.27 C ATOM 1361 CG2 VAL A 107 2.527 3.201 6.068 1.00 0.27 C ATOM 0 H VAL A 107 4.662 2.282 6.027 1.00 0.22 H new ATOM 0 HA VAL A 107 4.769 4.702 4.413 1.00 0.22 H new ATOM 0 HB VAL A 107 3.431 4.873 7.009 1.00 0.24 H new ATOM 0 HG11 VAL A 107 1.561 5.693 5.632 1.00 0.27 H new ATOM 0 HG12 VAL A 107 3.097 6.499 5.234 1.00 0.27 H new ATOM 0 HG13 VAL A 107 2.454 5.232 4.163 1.00 0.27 H new ATOM 0 HG21 VAL A 107 1.538 3.396 6.482 1.00 0.27 H new ATOM 0 HG22 VAL A 107 2.425 2.778 5.069 1.00 0.27 H new ATOM 0 HG23 VAL A 107 3.055 2.495 6.709 1.00 0.27 H new ATOM 1371 N THR A 108 6.377 5.945 5.795 1.00 0.24 N ATOM 1372 CA THR A 108 7.352 6.716 6.562 1.00 0.26 C ATOM 1373 C THR A 108 6.659 7.822 7.357 1.00 0.27 C ATOM 1374 O THR A 108 5.695 8.428 6.889 1.00 0.27 O ATOM 1375 CB THR A 108 8.432 7.342 5.655 1.00 0.28 C ATOM 1376 OG1 THR A 108 8.052 8.642 5.230 1.00 0.29 O ATOM 1377 CG2 THR A 108 8.764 6.537 4.405 1.00 0.27 C ATOM 0 H THR A 108 6.282 6.236 4.822 1.00 0.24 H new ATOM 0 HA THR A 108 7.838 6.021 7.247 1.00 0.26 H new ATOM 0 HB THR A 108 9.321 7.364 6.286 1.00 0.28 H new ATOM 0 HG1 THR A 108 8.322 8.773 4.297 1.00 0.29 H new ATOM 0 HG21 THR A 108 9.532 7.056 3.831 1.00 0.27 H new ATOM 0 HG22 THR A 108 9.130 5.552 4.693 1.00 0.27 H new ATOM 0 HG23 THR A 108 7.868 6.427 3.794 1.00 0.27 H new ATOM 1385 N ASN A 109 7.168 8.088 8.557 1.00 0.30 N ATOM 1386 CA ASN A 109 6.606 9.137 9.420 1.00 0.33 C ATOM 1387 C ASN A 109 5.090 8.994 9.555 1.00 0.29 C ATOM 1388 O ASN A 109 4.333 9.912 9.239 1.00 0.29 O ATOM 1389 CB ASN A 109 6.957 10.520 8.866 1.00 0.36 C ATOM 1390 CG ASN A 109 8.454 10.750 8.795 1.00 0.78 C ATOM 1391 OD1 ASN A 109 9.174 10.527 9.769 1.00 1.52 O ATOM 1392 ND2 ASN A 109 8.932 11.196 7.639 1.00 1.43 N ATOM 0 H ASN A 109 7.967 7.596 8.958 1.00 0.30 H new ATOM 0 HA ASN A 109 7.044 9.026 10.412 1.00 0.33 H new ATOM 0 HB2 ASN A 109 6.527 10.629 7.870 1.00 0.36 H new ATOM 0 HB3 ASN A 109 6.504 11.286 9.495 1.00 0.36 H new ATOM 0 HD21 ASN A 109 9.932 11.367 7.533 1.00 1.43 H new ATOM 0 HD22 ASN A 109 8.299 11.367 6.858 1.00 1.43 H new ATOM 1399 N LEU A 110 4.662 7.823 10.009 1.00 0.30 N ATOM 1400 CA LEU A 110 3.242 7.516 10.175 1.00 0.34 C ATOM 1401 C LEU A 110 2.448 8.615 10.868 1.00 0.41 C ATOM 1402 O LEU A 110 2.274 8.599 12.087 1.00 1.02 O ATOM 1403 CB LEU A 110 3.060 6.240 10.967 1.00 0.42 C ATOM 1404 CG LEU A 110 3.238 4.949 10.180 1.00 0.37 C ATOM 1405 CD1 LEU A 110 3.496 3.797 11.132 1.00 0.43 C ATOM 1406 CD2 LEU A 110 2.006 4.678 9.330 1.00 0.50 C ATOM 0 H LEU A 110 5.285 7.060 10.273 1.00 0.30 H new ATOM 0 HA LEU A 110 2.856 7.413 9.161 1.00 0.34 H new ATOM 0 HB2 LEU A 110 3.770 6.242 11.794 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.062 6.244 11.404 1.00 0.42 H new ATOM 0 HG LEU A 110 4.096 5.051 9.516 1.00 0.37 H new ATOM 0 HD11 LEU A 110 3.622 2.876 10.563 1.00 0.43 H new ATOM 0 HD12 LEU A 110 4.401 3.996 11.707 1.00 0.43 H new ATOM 0 HD13 LEU A 110 2.651 3.690 11.812 1.00 0.43 H new ATOM 0 HD21 LEU A 110 2.145 3.752 8.772 1.00 0.50 H new ATOM 0 HD22 LEU A 110 1.132 4.585 9.975 1.00 0.50 H new ATOM 0 HD23 LEU A 110 1.856 5.503 8.633 1.00 0.50 H new ATOM 1418 N GLN A 111 1.914 9.524 10.080 1.00 0.65 N ATOM 1419 CA GLN A 111 1.068 10.589 10.603 1.00 0.68 C ATOM 1420 C GLN A 111 -0.109 10.004 11.376 1.00 0.53 C ATOM 1421 O GLN A 111 -0.605 8.931 11.038 1.00 0.47 O ATOM 1422 CB GLN A 111 0.542 11.476 9.474 1.00 0.76 C ATOM 1423 CG GLN A 111 1.454 12.640 9.141 1.00 1.40 C ATOM 1424 CD GLN A 111 1.004 13.399 7.908 1.00 1.43 C ATOM 1425 OE1 GLN A 111 0.465 12.816 6.968 1.00 1.23 O ATOM 1426 NE2 GLN A 111 1.219 14.710 7.910 1.00 2.13 N ATOM 0 H GLN A 111 2.049 9.551 9.069 1.00 0.65 H new ATOM 0 HA GLN A 111 1.676 11.196 11.274 1.00 0.68 H new ATOM 0 HB2 GLN A 111 0.402 10.868 8.580 1.00 0.76 H new ATOM 0 HB3 GLN A 111 -0.438 11.862 9.753 1.00 0.76 H new ATOM 0 HG2 GLN A 111 1.491 13.323 9.990 1.00 1.40 H new ATOM 0 HG3 GLN A 111 2.467 12.270 8.986 1.00 1.40 H new ATOM 0 HE21 GLN A 111 1.669 15.152 8.711 1.00 2.13 H new ATOM 0 HE22 GLN A 111 0.934 15.275 7.110 1.00 2.13 H new ATOM 1435 N LEU A 112 -0.578 10.719 12.386 1.00 0.51 N ATOM 1436 CA LEU A 112 -1.726 10.263 13.158 1.00 0.46 C ATOM 1437 C LEU A 112 -2.930 10.117 12.232 1.00 0.35 C ATOM 1438 O LEU A 112 -3.742 9.199 12.374 1.00 0.35 O ATOM 1439 CB LEU A 112 -2.045 11.245 14.288 1.00 0.52 C ATOM 1440 CG LEU A 112 -3.239 10.857 15.164 1.00 1.08 C ATOM 1441 CD1 LEU A 112 -2.939 9.584 15.941 1.00 1.70 C ATOM 1442 CD2 LEU A 112 -3.600 11.993 16.111 1.00 1.64 C ATOM 0 H LEU A 112 -0.186 11.610 12.690 1.00 0.51 H new ATOM 0 HA LEU A 112 -1.491 9.298 13.606 1.00 0.46 H new ATOM 0 HB2 LEU A 112 -1.164 11.344 14.923 1.00 0.52 H new ATOM 0 HB3 LEU A 112 -2.236 12.226 13.853 1.00 0.52 H new ATOM 0 HG LEU A 112 -4.095 10.669 14.516 1.00 1.08 H new ATOM 0 HD11 LEU A 112 -3.799 9.323 16.558 1.00 1.70 H new ATOM 0 HD12 LEU A 112 -2.733 8.772 15.244 1.00 1.70 H new ATOM 0 HD13 LEU A 112 -2.070 9.743 16.579 1.00 1.70 H new ATOM 0 HD21 LEU A 112 -4.451 11.698 16.725 1.00 1.64 H new ATOM 0 HD22 LEU A 112 -2.748 12.215 16.754 1.00 1.64 H new ATOM 0 HD23 LEU A 112 -3.860 12.880 15.533 1.00 1.64 H new ATOM 1454 N SER A 113 -3.028 11.036 11.276 1.00 0.32 N ATOM 1455 CA SER A 113 -4.126 11.037 10.315 1.00 0.33 C ATOM 1456 C SER A 113 -3.959 9.935 9.272 1.00 0.31 C ATOM 1457 O SER A 113 -4.857 9.706 8.460 1.00 0.35 O ATOM 1458 CB SER A 113 -4.219 12.400 9.625 1.00 0.43 C ATOM 1459 OG SER A 113 -5.553 12.875 9.608 1.00 1.32 O ATOM 0 H SER A 113 -2.357 11.793 11.146 1.00 0.32 H new ATOM 0 HA SER A 113 -5.048 10.844 10.863 1.00 0.33 H new ATOM 0 HB2 SER A 113 -3.581 13.117 10.142 1.00 0.43 H new ATOM 0 HB3 SER A 113 -3.846 12.320 8.604 1.00 0.43 H new ATOM 0 HG SER A 113 -6.154 12.152 9.332 1.00 1.32 H new ATOM 1465 N ASP A 114 -2.828 9.231 9.304 1.00 0.30 N ATOM 1466 CA ASP A 114 -2.605 8.141 8.362 1.00 0.32 C ATOM 1467 C ASP A 114 -3.528 6.977 8.699 1.00 0.27 C ATOM 1468 O ASP A 114 -3.793 6.118 7.858 1.00 0.28 O ATOM 1469 CB ASP A 114 -1.147 7.674 8.370 1.00 0.38 C ATOM 1470 CG ASP A 114 -0.223 8.635 7.647 1.00 0.84 C ATOM 1471 OD1 ASP A 114 -0.732 9.561 6.980 1.00 1.58 O ATOM 1472 OD2 ASP A 114 1.009 8.448 7.729 1.00 1.53 O ATOM 0 H ASP A 114 -2.065 9.394 9.961 1.00 0.30 H new ATOM 0 HA ASP A 114 -2.827 8.510 7.361 1.00 0.32 H new ATOM 0 HB2 ASP A 114 -0.812 7.559 9.401 1.00 0.38 H new ATOM 0 HB3 ASP A 114 -1.081 6.692 7.902 1.00 0.38 H new ATOM 1477 N ILE A 115 -4.036 6.971 9.935 1.00 0.24 N ATOM 1478 CA ILE A 115 -4.957 5.935 10.391 1.00 0.21 C ATOM 1479 C ILE A 115 -5.997 5.633 9.313 1.00 0.22 C ATOM 1480 O ILE A 115 -6.515 6.552 8.683 1.00 0.24 O ATOM 1481 CB ILE A 115 -5.655 6.395 11.704 1.00 0.23 C ATOM 1482 CG1 ILE A 115 -5.087 5.638 12.904 1.00 0.33 C ATOM 1483 CG2 ILE A 115 -7.175 6.251 11.648 1.00 0.29 C ATOM 1484 CD1 ILE A 115 -4.739 6.539 14.068 1.00 0.42 C ATOM 0 H ILE A 115 -3.821 7.678 10.638 1.00 0.24 H new ATOM 0 HA ILE A 115 -4.395 5.022 10.588 1.00 0.21 H new ATOM 0 HB ILE A 115 -5.445 7.458 11.818 1.00 0.23 H new ATOM 0 HG12 ILE A 115 -5.813 4.895 13.233 1.00 0.33 H new ATOM 0 HG13 ILE A 115 -4.194 5.096 12.593 1.00 0.33 H new ATOM 0 HG21 ILE A 115 -7.607 6.587 12.591 1.00 0.29 H new ATOM 0 HG22 ILE A 115 -7.568 6.858 10.832 1.00 0.29 H new ATOM 0 HG23 ILE A 115 -7.436 5.206 11.481 1.00 0.29 H new ATOM 0 HD11 ILE A 115 -4.341 5.939 14.886 1.00 0.42 H new ATOM 0 HD12 ILE A 115 -3.990 7.266 13.754 1.00 0.42 H new ATOM 0 HD13 ILE A 115 -5.634 7.062 14.404 1.00 0.42 H new ATOM 1496 N GLY A 116 -6.307 4.351 9.103 1.00 0.22 N ATOM 1497 CA GLY A 116 -7.293 4.001 8.099 1.00 0.24 C ATOM 1498 C GLY A 116 -6.953 2.754 7.303 1.00 0.23 C ATOM 1499 O GLY A 116 -5.797 2.330 7.236 1.00 0.22 O ATOM 0 H GLY A 116 -5.898 3.563 9.604 1.00 0.22 H new ATOM 0 HA2 GLY A 116 -8.257 3.856 8.587 1.00 0.24 H new ATOM 0 HA3 GLY A 116 -7.407 4.838 7.411 1.00 0.24 H new ATOM 1503 N THR A 117 -7.993 2.168 6.714 1.00 0.24 N ATOM 1504 CA THR A 117 -7.882 0.964 5.898 1.00 0.24 C ATOM 1505 C THR A 117 -6.976 1.157 4.681 1.00 0.23 C ATOM 1506 O THR A 117 -7.045 2.178 4.002 1.00 0.25 O ATOM 1507 CB THR A 117 -9.273 0.518 5.438 1.00 0.28 C ATOM 1508 OG1 THR A 117 -10.117 0.287 6.551 1.00 0.31 O ATOM 1509 CG2 THR A 117 -9.257 -0.748 4.606 1.00 0.31 C ATOM 0 H THR A 117 -8.947 2.521 6.792 1.00 0.24 H new ATOM 0 HA THR A 117 -7.426 0.196 6.522 1.00 0.24 H new ATOM 0 HB THR A 117 -9.645 1.334 4.818 1.00 0.28 H new ATOM 0 HG1 THR A 117 -11.002 0.005 6.238 1.00 0.31 H new ATOM 0 HG21 THR A 117 -10.276 -1.005 4.315 1.00 0.31 H new ATOM 0 HG22 THR A 117 -8.654 -0.589 3.712 1.00 0.31 H new ATOM 0 HG23 THR A 117 -8.830 -1.563 5.191 1.00 0.31 H new ATOM 1517 N TYR A 118 -6.178 0.139 4.383 1.00 0.22 N ATOM 1518 CA TYR A 118 -5.304 0.146 3.210 1.00 0.23 C ATOM 1519 C TYR A 118 -5.591 -1.093 2.369 1.00 0.23 C ATOM 1520 O TYR A 118 -5.543 -2.212 2.875 1.00 0.24 O ATOM 1521 CB TYR A 118 -3.825 0.158 3.603 1.00 0.24 C ATOM 1522 CG TYR A 118 -3.355 1.464 4.193 1.00 0.26 C ATOM 1523 CD1 TYR A 118 -3.748 1.855 5.463 1.00 1.23 C ATOM 1524 CD2 TYR A 118 -2.514 2.305 3.477 1.00 1.18 C ATOM 1525 CE1 TYR A 118 -3.317 3.048 6.006 1.00 1.24 C ATOM 1526 CE2 TYR A 118 -2.077 3.500 4.013 1.00 1.20 C ATOM 1527 CZ TYR A 118 -2.481 3.867 5.278 1.00 0.39 C ATOM 1528 OH TYR A 118 -2.046 5.055 5.819 1.00 0.47 O ATOM 0 H TYR A 118 -6.116 -0.712 4.942 1.00 0.22 H new ATOM 0 HA TYR A 118 -5.507 1.054 2.641 1.00 0.23 H new ATOM 0 HB2 TYR A 118 -3.645 -0.640 4.324 1.00 0.24 H new ATOM 0 HB3 TYR A 118 -3.224 -0.067 2.722 1.00 0.24 H new ATOM 0 HD1 TYR A 118 -4.402 1.216 6.037 1.00 1.23 H new ATOM 0 HD2 TYR A 118 -2.196 2.020 2.485 1.00 1.18 H new ATOM 0 HE1 TYR A 118 -3.633 3.339 6.997 1.00 1.24 H new ATOM 0 HE2 TYR A 118 -1.422 4.143 3.444 1.00 1.20 H new ATOM 0 HH TYR A 118 -2.675 5.349 6.511 1.00 0.47 H new ATOM 1538 N GLN A 119 -5.894 -0.899 1.094 1.00 0.23 N ATOM 1539 CA GLN A 119 -6.191 -2.024 0.214 1.00 0.24 C ATOM 1540 C GLN A 119 -5.209 -2.072 -0.950 1.00 0.23 C ATOM 1541 O GLN A 119 -5.132 -1.138 -1.742 1.00 0.24 O ATOM 1542 CB GLN A 119 -7.629 -1.913 -0.296 1.00 0.28 C ATOM 1543 CG GLN A 119 -8.062 -3.063 -1.187 1.00 0.37 C ATOM 1544 CD GLN A 119 -9.571 -3.153 -1.312 1.00 0.59 C ATOM 1545 OE1 GLN A 119 -10.129 -2.430 -2.274 1.00 1.03 O flip ATOM 1546 NE2 GLN A 119 -10.229 -3.846 -0.536 1.00 1.16 N flip ATOM 0 H GLN A 119 -5.941 0.017 0.647 1.00 0.23 H new ATOM 0 HA GLN A 119 -6.086 -2.951 0.778 1.00 0.24 H new ATOM 0 HB2 GLN A 119 -8.303 -1.856 0.559 1.00 0.28 H new ATOM 0 HB3 GLN A 119 -7.736 -0.979 -0.848 1.00 0.28 H new ATOM 0 HG2 GLN A 119 -7.624 -2.938 -2.177 1.00 0.37 H new ATOM 0 HG3 GLN A 119 -7.676 -3.999 -0.783 1.00 0.37 H new ATOM 0 HE21 GLN A 119 -9.758 -4.386 0.190 1.00 1.16 H new ATOM 0 HE22 GLN A 119 -11.245 -3.880 -0.619 1.00 1.16 H new ATOM 1555 N CYS A 120 -4.460 -3.169 -1.042 1.00 0.24 N ATOM 1556 CA CYS A 120 -3.470 -3.340 -2.102 1.00 0.24 C ATOM 1557 C CYS A 120 -4.032 -4.177 -3.244 1.00 0.22 C ATOM 1558 O CYS A 120 -4.386 -5.339 -3.056 1.00 0.25 O ATOM 1559 CB CYS A 120 -2.213 -4.012 -1.532 1.00 0.30 C ATOM 1560 SG CYS A 120 -0.801 -4.109 -2.687 1.00 1.03 S ATOM 0 H CYS A 120 -4.521 -3.954 -0.394 1.00 0.24 H new ATOM 0 HA CYS A 120 -3.212 -2.356 -2.495 1.00 0.24 H new ATOM 0 HB2 CYS A 120 -1.899 -3.466 -0.642 1.00 0.30 H new ATOM 0 HB3 CYS A 120 -2.472 -5.021 -1.212 1.00 0.30 H new ATOM 1565 N LYS A 121 -4.102 -3.579 -4.430 1.00 0.20 N ATOM 1566 CA LYS A 121 -4.612 -4.271 -5.607 1.00 0.21 C ATOM 1567 C LYS A 121 -3.513 -4.463 -6.641 1.00 0.21 C ATOM 1568 O LYS A 121 -3.135 -3.518 -7.328 1.00 0.22 O ATOM 1569 CB LYS A 121 -5.749 -3.479 -6.258 1.00 0.25 C ATOM 1570 CG LYS A 121 -7.039 -3.442 -5.461 1.00 0.29 C ATOM 1571 CD LYS A 121 -8.103 -2.634 -6.189 1.00 0.35 C ATOM 1572 CE LYS A 121 -9.402 -2.585 -5.406 1.00 1.28 C ATOM 1573 NZ LYS A 121 -10.385 -3.588 -5.900 1.00 1.76 N ATOM 0 H LYS A 121 -3.812 -2.616 -4.600 1.00 0.20 H new ATOM 0 HA LYS A 121 -4.981 -5.241 -5.274 1.00 0.21 H new ATOM 0 HB2 LYS A 121 -5.411 -2.456 -6.423 1.00 0.25 H new ATOM 0 HB3 LYS A 121 -5.957 -3.908 -7.238 1.00 0.25 H new ATOM 0 HG2 LYS A 121 -7.398 -4.458 -5.295 1.00 0.29 H new ATOM 0 HG3 LYS A 121 -6.853 -3.005 -4.480 1.00 0.29 H new ATOM 0 HD2 LYS A 121 -7.740 -1.620 -6.356 1.00 0.35 H new ATOM 0 HD3 LYS A 121 -8.285 -3.072 -7.170 1.00 0.35 H new ATOM 0 HE2 LYS A 121 -9.197 -2.766 -4.351 1.00 1.28 H new ATOM 0 HE3 LYS A 121 -9.833 -1.587 -5.480 1.00 1.28 H new ATOM 0 HZ1 LYS A 121 -11.259 -3.523 -5.340 1.00 1.76 H new ATOM 0 HZ2 LYS A 121 -10.600 -3.400 -6.900 1.00 1.76 H new ATOM 0 HZ3 LYS A 121 -9.984 -4.543 -5.806 1.00 1.76 H new ATOM 1587 N VAL A 122 -3.028 -5.688 -6.781 1.00 0.22 N ATOM 1588 CA VAL A 122 -2.002 -5.971 -7.769 1.00 0.24 C ATOM 1589 C VAL A 122 -2.663 -6.412 -9.065 1.00 0.24 C ATOM 1590 O VAL A 122 -3.161 -7.534 -9.159 1.00 0.25 O ATOM 1591 CB VAL A 122 -1.037 -7.073 -7.287 1.00 0.28 C ATOM 1592 CG1 VAL A 122 0.066 -7.310 -8.308 1.00 1.15 C ATOM 1593 CG2 VAL A 122 -0.451 -6.712 -5.930 1.00 1.18 C ATOM 0 H VAL A 122 -3.325 -6.493 -6.229 1.00 0.22 H new ATOM 0 HA VAL A 122 -1.423 -5.061 -7.927 1.00 0.24 H new ATOM 0 HB VAL A 122 -1.601 -8.000 -7.180 1.00 0.28 H new ATOM 0 HG11 VAL A 122 0.735 -8.091 -7.947 1.00 1.15 H new ATOM 0 HG12 VAL A 122 -0.375 -7.620 -9.255 1.00 1.15 H new ATOM 0 HG13 VAL A 122 0.630 -6.389 -8.455 1.00 1.15 H new ATOM 0 HG21 VAL A 122 0.228 -7.501 -5.605 1.00 1.18 H new ATOM 0 HG22 VAL A 122 0.096 -5.772 -6.008 1.00 1.18 H new ATOM 0 HG23 VAL A 122 -1.256 -6.604 -5.203 1.00 1.18 H new ATOM 1603 N LYS A 123 -2.695 -5.528 -10.063 1.00 0.26 N ATOM 1604 CA LYS A 123 -3.339 -5.877 -11.329 1.00 0.28 C ATOM 1605 C LYS A 123 -2.344 -6.361 -12.381 1.00 0.29 C ATOM 1606 O LYS A 123 -1.446 -5.624 -12.788 1.00 0.33 O ATOM 1607 CB LYS A 123 -4.152 -4.695 -11.870 1.00 0.32 C ATOM 1608 CG LYS A 123 -4.875 -5.002 -13.172 1.00 0.37 C ATOM 1609 CD LYS A 123 -5.665 -3.801 -13.667 1.00 0.48 C ATOM 1610 CE LYS A 123 -6.387 -4.109 -14.969 1.00 0.98 C ATOM 1611 NZ LYS A 123 -7.321 -3.017 -15.359 1.00 1.62 N ATOM 0 H LYS A 123 -2.295 -4.591 -10.023 1.00 0.26 H new ATOM 0 HA LYS A 123 -4.013 -6.707 -11.118 1.00 0.28 H new ATOM 0 HB2 LYS A 123 -4.883 -4.393 -11.120 1.00 0.32 H new ATOM 0 HB3 LYS A 123 -3.486 -3.846 -12.025 1.00 0.32 H new ATOM 0 HG2 LYS A 123 -4.151 -5.300 -13.930 1.00 0.37 H new ATOM 0 HG3 LYS A 123 -5.548 -5.846 -13.025 1.00 0.37 H new ATOM 0 HD2 LYS A 123 -6.390 -3.503 -12.909 1.00 0.48 H new ATOM 0 HD3 LYS A 123 -4.992 -2.956 -13.814 1.00 0.48 H new ATOM 0 HE2 LYS A 123 -5.655 -4.261 -15.762 1.00 0.98 H new ATOM 0 HE3 LYS A 123 -6.942 -5.041 -14.864 1.00 0.98 H new ATOM 0 HZ1 LYS A 123 -7.793 -3.266 -16.252 1.00 1.62 H new ATOM 0 HZ2 LYS A 123 -8.035 -2.888 -14.614 1.00 1.62 H new ATOM 0 HZ3 LYS A 123 -6.788 -2.133 -15.484 1.00 1.62 H new ATOM 1625 N LYS A 124 -2.533 -7.597 -12.847 1.00 0.29 N ATOM 1626 CA LYS A 124 -1.676 -8.160 -13.885 1.00 0.31 C ATOM 1627 C LYS A 124 -2.512 -8.997 -14.842 1.00 0.32 C ATOM 1628 O LYS A 124 -2.875 -10.126 -14.525 1.00 0.35 O ATOM 1629 CB LYS A 124 -0.595 -9.047 -13.270 1.00 0.38 C ATOM 1630 CG LYS A 124 0.460 -8.286 -12.497 1.00 1.18 C ATOM 1631 CD LYS A 124 1.588 -9.202 -12.056 1.00 1.17 C ATOM 1632 CE LYS A 124 1.132 -10.181 -10.987 1.00 2.14 C ATOM 1633 NZ LYS A 124 0.316 -11.294 -11.547 1.00 2.84 N ATOM 0 H LYS A 124 -3.270 -8.223 -12.522 1.00 0.29 H new ATOM 0 HA LYS A 124 -1.202 -7.337 -14.421 1.00 0.31 H new ATOM 0 HB2 LYS A 124 -1.068 -9.770 -12.605 1.00 0.38 H new ATOM 0 HB3 LYS A 124 -0.110 -9.615 -14.064 1.00 0.38 H new ATOM 0 HG2 LYS A 124 0.861 -7.484 -13.117 1.00 1.18 H new ATOM 0 HG3 LYS A 124 0.007 -7.817 -11.624 1.00 1.18 H new ATOM 0 HD2 LYS A 124 1.967 -9.753 -12.917 1.00 1.17 H new ATOM 0 HD3 LYS A 124 2.414 -8.603 -11.673 1.00 1.17 H new ATOM 0 HE2 LYS A 124 2.004 -10.593 -10.480 1.00 2.14 H new ATOM 0 HE3 LYS A 124 0.549 -9.649 -10.236 1.00 2.14 H new ATOM 0 HZ1 LYS A 124 -0.688 -11.133 -11.328 1.00 2.84 H new ATOM 0 HZ2 LYS A 124 0.443 -11.333 -12.578 1.00 2.84 H new ATOM 0 HZ3 LYS A 124 0.622 -12.195 -11.126 1.00 2.84 H new ATOM 1647 N ALA A 125 -2.805 -8.446 -16.015 1.00 0.35 N ATOM 1648 CA ALA A 125 -3.596 -9.153 -17.017 1.00 0.39 C ATOM 1649 C ALA A 125 -3.059 -10.563 -17.268 1.00 0.40 C ATOM 1650 O ALA A 125 -1.859 -10.744 -17.464 1.00 0.40 O ATOM 1651 CB ALA A 125 -3.639 -8.364 -18.317 1.00 0.44 C ATOM 0 H ALA A 125 -2.507 -7.512 -16.296 1.00 0.35 H new ATOM 0 HA ALA A 125 -4.610 -9.248 -16.628 1.00 0.39 H new ATOM 0 HB1 ALA A 125 -4.233 -8.907 -19.052 1.00 0.44 H new ATOM 0 HB2 ALA A 125 -4.089 -7.388 -18.136 1.00 0.44 H new ATOM 0 HB3 ALA A 125 -2.626 -8.231 -18.696 1.00 0.44 H new ATOM 1657 N PRO A 126 -3.931 -11.590 -17.272 1.00 0.44 N ATOM 1658 CA PRO A 126 -5.362 -11.469 -17.049 1.00 0.48 C ATOM 1659 C PRO A 126 -5.749 -11.884 -15.633 1.00 0.49 C ATOM 1660 O PRO A 126 -6.694 -12.651 -15.442 1.00 0.56 O ATOM 1661 CB PRO A 126 -5.892 -12.485 -18.051 1.00 0.56 C ATOM 1662 CG PRO A 126 -4.874 -13.589 -18.034 1.00 0.55 C ATOM 1663 CD PRO A 126 -3.582 -12.995 -17.503 1.00 0.48 C ATOM 0 HA PRO A 126 -5.742 -10.454 -17.165 1.00 0.48 H new ATOM 0 HB2 PRO A 126 -6.879 -12.849 -17.764 1.00 0.56 H new ATOM 0 HB3 PRO A 126 -5.990 -12.049 -19.045 1.00 0.56 H new ATOM 0 HG2 PRO A 126 -5.208 -14.412 -17.402 1.00 0.55 H new ATOM 0 HG3 PRO A 126 -4.729 -13.995 -19.035 1.00 0.55 H new ATOM 0 HD2 PRO A 126 -3.260 -13.486 -16.585 1.00 0.48 H new ATOM 0 HD3 PRO A 126 -2.768 -13.095 -18.221 1.00 0.48 H new ATOM 1671 N GLY A 127 -5.011 -11.392 -14.641 1.00 0.45 N ATOM 1672 CA GLY A 127 -5.297 -11.748 -13.278 1.00 0.48 C ATOM 1673 C GLY A 127 -5.025 -10.636 -12.290 1.00 0.42 C ATOM 1674 O GLY A 127 -3.881 -10.368 -11.916 1.00 0.39 O ATOM 0 H GLY A 127 -4.224 -10.755 -14.765 1.00 0.45 H new ATOM 0 HA2 GLY A 127 -6.343 -12.043 -13.201 1.00 0.48 H new ATOM 0 HA3 GLY A 127 -4.700 -12.618 -13.006 1.00 0.48 H new ATOM 1678 N VAL A 128 -6.097 -10.018 -11.851 1.00 0.44 N ATOM 1679 CA VAL A 128 -6.035 -8.950 -10.857 1.00 0.41 C ATOM 1680 C VAL A 128 -6.101 -9.551 -9.450 1.00 0.43 C ATOM 1681 O VAL A 128 -6.726 -10.593 -9.249 1.00 0.60 O ATOM 1682 CB VAL A 128 -7.181 -7.931 -11.022 1.00 0.44 C ATOM 1683 CG1 VAL A 128 -6.773 -6.575 -10.466 1.00 1.12 C ATOM 1684 CG2 VAL A 128 -7.598 -7.812 -12.482 1.00 1.22 C ATOM 0 H VAL A 128 -7.042 -10.235 -12.168 1.00 0.44 H new ATOM 0 HA VAL A 128 -5.092 -8.423 -11.006 1.00 0.41 H new ATOM 0 HB VAL A 128 -8.040 -8.291 -10.456 1.00 0.44 H new ATOM 0 HG11 VAL A 128 -7.594 -5.869 -10.591 1.00 1.12 H new ATOM 0 HG12 VAL A 128 -6.536 -6.672 -9.406 1.00 1.12 H new ATOM 0 HG13 VAL A 128 -5.896 -6.211 -11.002 1.00 1.12 H new ATOM 0 HG21 VAL A 128 -8.407 -7.087 -12.571 1.00 1.22 H new ATOM 0 HG22 VAL A 128 -6.747 -7.481 -13.078 1.00 1.22 H new ATOM 0 HG23 VAL A 128 -7.938 -8.782 -12.843 1.00 1.22 H new ATOM 1694 N ALA A 129 -5.461 -8.904 -8.481 1.00 0.38 N ATOM 1695 CA ALA A 129 -5.465 -9.404 -7.104 1.00 0.43 C ATOM 1696 C ALA A 129 -5.562 -8.262 -6.095 1.00 0.34 C ATOM 1697 O ALA A 129 -5.013 -7.185 -6.315 1.00 0.36 O ATOM 1698 CB ALA A 129 -4.216 -10.233 -6.843 1.00 0.57 C ATOM 0 H ALA A 129 -4.937 -8.040 -8.618 1.00 0.38 H new ATOM 0 HA ALA A 129 -6.345 -10.035 -6.979 1.00 0.43 H new ATOM 0 HB1 ALA A 129 -4.230 -10.599 -5.816 1.00 0.57 H new ATOM 0 HB2 ALA A 129 -4.191 -11.079 -7.530 1.00 0.57 H new ATOM 0 HB3 ALA A 129 -3.331 -9.615 -6.996 1.00 0.57 H new ATOM 1704 N ASN A 130 -6.268 -8.499 -4.986 1.00 0.32 N ATOM 1705 CA ASN A 130 -6.426 -7.473 -3.958 1.00 0.30 C ATOM 1706 C ASN A 130 -6.500 -8.069 -2.547 1.00 0.28 C ATOM 1707 O ASN A 130 -6.998 -9.178 -2.355 1.00 0.30 O ATOM 1708 CB ASN A 130 -7.681 -6.644 -4.242 1.00 0.38 C ATOM 1709 CG ASN A 130 -8.960 -7.434 -4.044 1.00 1.14 C ATOM 1710 OD1 ASN A 130 -8.943 -8.664 -3.987 1.00 2.03 O ATOM 1711 ND2 ASN A 130 -10.081 -6.728 -3.944 1.00 1.36 N ATOM 0 H ASN A 130 -6.734 -9.383 -4.780 1.00 0.32 H new ATOM 0 HA ASN A 130 -5.543 -6.835 -3.994 1.00 0.30 H new ATOM 0 HB2 ASN A 130 -7.692 -5.772 -3.587 1.00 0.38 H new ATOM 0 HB3 ASN A 130 -7.643 -6.273 -5.266 1.00 0.38 H new ATOM 0 HD21 ASN A 130 -10.974 -7.204 -3.815 1.00 1.36 H new ATOM 0 HD22 ASN A 130 -10.049 -5.710 -3.997 1.00 1.36 H new ATOM 1718 N LYS A 131 -6.006 -7.311 -1.564 1.00 0.27 N ATOM 1719 CA LYS A 131 -6.017 -7.741 -0.165 1.00 0.28 C ATOM 1720 C LYS A 131 -6.232 -6.544 0.768 1.00 0.26 C ATOM 1721 O LYS A 131 -6.034 -5.398 0.364 1.00 0.28 O ATOM 1722 CB LYS A 131 -4.708 -8.437 0.176 1.00 0.34 C ATOM 1723 CG LYS A 131 -3.511 -7.504 0.155 1.00 0.99 C ATOM 1724 CD LYS A 131 -2.281 -8.178 -0.423 1.00 1.19 C ATOM 1725 CE LYS A 131 -1.118 -8.122 0.548 1.00 2.18 C ATOM 1726 NZ LYS A 131 -0.779 -6.722 0.914 1.00 2.95 N ATOM 0 H LYS A 131 -5.591 -6.391 -1.714 1.00 0.27 H new ATOM 0 HA LYS A 131 -6.841 -8.440 -0.026 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -4.791 -8.889 1.165 1.00 0.34 H new ATOM 0 HB3 LYS A 131 -4.540 -9.248 -0.532 1.00 0.34 H new ATOM 0 HG2 LYS A 131 -3.751 -6.619 -0.434 1.00 0.99 H new ATOM 0 HG3 LYS A 131 -3.297 -7.165 1.168 1.00 0.99 H new ATOM 0 HD2 LYS A 131 -2.510 -9.217 -0.661 1.00 1.19 H new ATOM 0 HD3 LYS A 131 -2.002 -7.691 -1.358 1.00 1.19 H new ATOM 0 HE2 LYS A 131 -1.367 -8.684 1.448 1.00 2.18 H new ATOM 0 HE3 LYS A 131 -0.247 -8.603 0.102 1.00 2.18 H new ATOM 0 HZ1 LYS A 131 -0.049 -6.724 1.655 1.00 2.95 H new ATOM 0 HZ2 LYS A 131 -0.421 -6.221 0.076 1.00 2.95 H new ATOM 0 HZ3 LYS A 131 -1.630 -6.240 1.268 1.00 2.95 H new ATOM 1740 N LYS A 132 -6.656 -6.805 2.010 1.00 0.26 N ATOM 1741 CA LYS A 132 -6.910 -5.726 2.965 1.00 0.26 C ATOM 1742 C LYS A 132 -5.807 -5.570 4.005 1.00 0.24 C ATOM 1743 O LYS A 132 -5.360 -6.543 4.602 1.00 0.24 O ATOM 1744 CB LYS A 132 -8.206 -5.980 3.719 1.00 0.30 C ATOM 1745 CG LYS A 132 -9.457 -5.884 2.863 1.00 0.89 C ATOM 1746 CD LYS A 132 -10.707 -6.150 3.684 1.00 1.19 C ATOM 1747 CE LYS A 132 -11.965 -6.056 2.836 1.00 1.83 C ATOM 1748 NZ LYS A 132 -13.185 -6.409 3.614 1.00 2.26 N ATOM 0 H LYS A 132 -6.828 -7.743 2.372 1.00 0.26 H new ATOM 0 HA LYS A 132 -6.961 -4.815 2.368 1.00 0.26 H new ATOM 0 HB2 LYS A 132 -8.163 -6.972 4.168 1.00 0.30 H new ATOM 0 HB3 LYS A 132 -8.283 -5.263 4.536 1.00 0.30 H new ATOM 0 HG2 LYS A 132 -9.518 -4.893 2.414 1.00 0.89 H new ATOM 0 HG3 LYS A 132 -9.397 -6.602 2.045 1.00 0.89 H new ATOM 0 HD2 LYS A 132 -10.644 -7.141 4.133 1.00 1.19 H new ATOM 0 HD3 LYS A 132 -10.765 -5.432 4.502 1.00 1.19 H new ATOM 0 HE2 LYS A 132 -12.064 -5.044 2.444 1.00 1.83 H new ATOM 0 HE3 LYS A 132 -11.876 -6.723 1.978 1.00 1.83 H new ATOM 0 HZ1 LYS A 132 -14.022 -6.333 3.001 1.00 2.26 H new ATOM 0 HZ2 LYS A 132 -13.102 -7.384 3.967 1.00 2.26 H new ATOM 0 HZ3 LYS A 132 -13.285 -5.757 4.418 1.00 2.26 H new ATOM 1762 N ILE A 133 -5.429 -4.324 4.259 1.00 0.23 N ATOM 1763 CA ILE A 133 -4.447 -4.003 5.281 1.00 0.22 C ATOM 1764 C ILE A 133 -4.825 -2.677 5.921 1.00 0.22 C ATOM 1765 O ILE A 133 -4.776 -1.654 5.264 1.00 0.28 O ATOM 1766 CB ILE A 133 -3.015 -3.903 4.717 1.00 0.22 C ATOM 1767 CG1 ILE A 133 -2.591 -5.237 4.113 1.00 0.25 C ATOM 1768 CG2 ILE A 133 -2.030 -3.480 5.803 1.00 0.22 C ATOM 1769 CD1 ILE A 133 -1.304 -5.154 3.334 1.00 0.27 C ATOM 0 H ILE A 133 -5.794 -3.511 3.763 1.00 0.23 H new ATOM 0 HA ILE A 133 -4.452 -4.811 6.012 1.00 0.22 H new ATOM 0 HB ILE A 133 -3.009 -3.143 3.936 1.00 0.22 H new ATOM 0 HG12 ILE A 133 -2.478 -5.970 4.911 1.00 0.25 H new ATOM 0 HG13 ILE A 133 -3.382 -5.599 3.457 1.00 0.25 H new ATOM 0 HG21 ILE A 133 -1.027 -3.417 5.380 1.00 0.22 H new ATOM 0 HG22 ILE A 133 -2.320 -2.506 6.198 1.00 0.22 H new ATOM 0 HG23 ILE A 133 -2.039 -4.215 6.608 1.00 0.22 H new ATOM 0 HD11 ILE A 133 -1.059 -6.137 2.931 1.00 0.27 H new ATOM 0 HD12 ILE A 133 -1.420 -4.444 2.515 1.00 0.27 H new ATOM 0 HD13 ILE A 133 -0.501 -4.821 3.992 1.00 0.27 H new ATOM 1781 N HIS A 134 -5.198 -2.677 7.190 1.00 0.21 N ATOM 1782 CA HIS A 134 -5.567 -1.427 7.843 1.00 0.21 C ATOM 1783 C HIS A 134 -4.377 -0.862 8.582 1.00 0.20 C ATOM 1784 O HIS A 134 -3.311 -1.475 8.628 1.00 0.21 O ATOM 1785 CB HIS A 134 -6.737 -1.600 8.806 1.00 0.25 C ATOM 1786 CG HIS A 134 -7.458 -2.893 8.674 1.00 0.31 C ATOM 1787 ND1 HIS A 134 -7.608 -3.879 9.568 1.00 0.47 N flip ATOM 1788 CD2 HIS A 134 -8.126 -3.292 7.537 1.00 0.41 C flip ATOM 1789 CE1 HIS A 134 -8.361 -4.863 8.975 1.00 0.55 C flip ATOM 1790 NE2 HIS A 134 -8.663 -4.482 7.745 1.00 0.49 N flip ATOM 0 H HIS A 134 -5.254 -3.507 7.780 1.00 0.21 H new ATOM 0 HA HIS A 134 -5.885 -0.735 7.063 1.00 0.21 H new ATOM 0 HB2 HIS A 134 -6.367 -1.507 9.827 1.00 0.25 H new ATOM 0 HB3 HIS A 134 -7.445 -0.786 8.648 1.00 0.25 H new ATOM 0 HD2 HIS A 134 -8.199 -2.723 6.622 1.00 0.41 H new ATOM 0 HE1 HIS A 134 -8.657 -5.793 9.437 1.00 0.55 H new ATOM 0 HE2 HIS A 134 -9.215 -5.015 7.073 1.00 0.49 H new ATOM 1799 N LEU A 135 -4.554 0.319 9.139 1.00 0.19 N ATOM 1800 CA LEU A 135 -3.468 0.972 9.853 1.00 0.19 C ATOM 1801 C LEU A 135 -3.961 1.750 11.067 1.00 0.19 C ATOM 1802 O LEU A 135 -4.917 2.520 10.985 1.00 0.21 O ATOM 1803 CB LEU A 135 -2.723 1.914 8.912 1.00 0.21 C ATOM 1804 CG LEU A 135 -1.551 2.668 9.541 1.00 0.69 C ATOM 1805 CD1 LEU A 135 -0.439 1.703 9.922 1.00 1.52 C ATOM 1806 CD2 LEU A 135 -1.034 3.735 8.587 1.00 1.32 C ATOM 0 H LEU A 135 -5.428 0.844 9.114 1.00 0.19 H new ATOM 0 HA LEU A 135 -2.798 0.190 10.211 1.00 0.19 H new ATOM 0 HB2 LEU A 135 -2.351 1.337 8.065 1.00 0.21 H new ATOM 0 HB3 LEU A 135 -3.432 2.641 8.515 1.00 0.21 H new ATOM 0 HG LEU A 135 -1.902 3.159 10.449 1.00 0.69 H new ATOM 0 HD11 LEU A 135 0.387 2.257 10.368 1.00 1.52 H new ATOM 0 HD12 LEU A 135 -0.818 0.976 10.640 1.00 1.52 H new ATOM 0 HD13 LEU A 135 -0.087 1.183 9.031 1.00 1.52 H new ATOM 0 HD21 LEU A 135 -0.200 4.263 9.049 1.00 1.32 H new ATOM 0 HD22 LEU A 135 -0.698 3.265 7.663 1.00 1.32 H new ATOM 0 HD23 LEU A 135 -1.833 4.442 8.365 1.00 1.32 H new ATOM 1818 N VAL A 136 -3.275 1.553 12.186 1.00 0.21 N ATOM 1819 CA VAL A 136 -3.601 2.241 13.426 1.00 0.23 C ATOM 1820 C VAL A 136 -2.338 2.864 14.010 1.00 0.21 C ATOM 1821 O VAL A 136 -1.309 2.200 14.128 1.00 0.23 O ATOM 1822 CB VAL A 136 -4.226 1.280 14.459 1.00 0.27 C ATOM 1823 CG1 VAL A 136 -4.562 2.015 15.751 1.00 0.32 C ATOM 1824 CG2 VAL A 136 -5.463 0.605 13.882 1.00 0.31 C ATOM 0 H VAL A 136 -2.482 0.916 12.258 1.00 0.21 H new ATOM 0 HA VAL A 136 -4.332 3.017 13.200 1.00 0.23 H new ATOM 0 HB VAL A 136 -3.493 0.508 14.693 1.00 0.27 H new ATOM 0 HG11 VAL A 136 -5.001 1.317 16.463 1.00 0.32 H new ATOM 0 HG12 VAL A 136 -3.652 2.441 16.174 1.00 0.32 H new ATOM 0 HG13 VAL A 136 -5.273 2.814 15.541 1.00 0.32 H new ATOM 0 HG21 VAL A 136 -5.890 -0.069 14.625 1.00 0.31 H new ATOM 0 HG22 VAL A 136 -6.199 1.363 13.614 1.00 0.31 H new ATOM 0 HG23 VAL A 136 -5.187 0.037 12.994 1.00 0.31 H new ATOM 1834 N VAL A 137 -2.408 4.140 14.358 1.00 0.21 N ATOM 1835 CA VAL A 137 -1.253 4.831 14.907 1.00 0.21 C ATOM 1836 C VAL A 137 -1.292 4.870 16.429 1.00 0.24 C ATOM 1837 O VAL A 137 -2.258 5.347 17.025 1.00 0.31 O ATOM 1838 CB VAL A 137 -1.151 6.272 14.369 1.00 0.26 C ATOM 1839 CG1 VAL A 137 0.139 6.929 14.839 1.00 1.08 C ATOM 1840 CG2 VAL A 137 -1.239 6.284 12.850 1.00 1.06 C ATOM 0 H VAL A 137 -3.247 4.714 14.271 1.00 0.21 H new ATOM 0 HA VAL A 137 -0.376 4.267 14.590 1.00 0.21 H new ATOM 0 HB VAL A 137 -1.989 6.846 14.764 1.00 0.26 H new ATOM 0 HG11 VAL A 137 0.193 7.945 14.449 1.00 1.08 H new ATOM 0 HG12 VAL A 137 0.157 6.957 15.928 1.00 1.08 H new ATOM 0 HG13 VAL A 137 0.992 6.356 14.477 1.00 1.08 H new ATOM 0 HG21 VAL A 137 -1.165 7.310 12.489 1.00 1.06 H new ATOM 0 HG22 VAL A 137 -0.423 5.693 12.434 1.00 1.06 H new ATOM 0 HG23 VAL A 137 -2.192 5.857 12.537 1.00 1.06 H new ATOM 1850 N LEU A 138 -0.225 4.379 17.052 1.00 0.24 N ATOM 1851 CA LEU A 138 -0.127 4.374 18.507 1.00 0.30 C ATOM 1852 C LEU A 138 0.312 5.750 18.990 1.00 0.31 C ATOM 1853 O LEU A 138 0.894 6.520 18.226 1.00 0.26 O ATOM 1854 CB LEU A 138 0.870 3.310 18.975 1.00 0.36 C ATOM 1855 CG LEU A 138 0.525 1.874 18.577 1.00 0.42 C ATOM 1856 CD1 LEU A 138 1.687 0.939 18.883 1.00 0.52 C ATOM 1857 CD2 LEU A 138 -0.737 1.414 19.292 1.00 0.51 C ATOM 0 H LEU A 138 0.582 3.980 16.573 1.00 0.24 H new ATOM 0 HA LEU A 138 -1.104 4.136 18.927 1.00 0.30 H new ATOM 0 HB2 LEU A 138 1.853 3.555 18.574 1.00 0.36 H new ATOM 0 HB3 LEU A 138 0.947 3.360 20.061 1.00 0.36 H new ATOM 0 HG LEU A 138 0.341 1.848 17.503 1.00 0.42 H new ATOM 0 HD11 LEU A 138 1.422 -0.078 18.593 1.00 0.52 H new ATOM 0 HD12 LEU A 138 2.567 1.258 18.325 1.00 0.52 H new ATOM 0 HD13 LEU A 138 1.905 0.966 19.951 1.00 0.52 H new ATOM 0 HD21 LEU A 138 -0.969 0.390 18.998 1.00 0.51 H new ATOM 0 HD22 LEU A 138 -0.580 1.455 20.370 1.00 0.51 H new ATOM 0 HD23 LEU A 138 -1.567 2.066 19.021 1.00 0.51 H new ATOM 1869 N VAL A 139 0.025 6.073 20.247 1.00 0.45 N ATOM 1870 CA VAL A 139 0.395 7.377 20.779 1.00 0.49 C ATOM 1871 C VAL A 139 1.864 7.413 21.167 1.00 0.49 C ATOM 1872 O VAL A 139 2.368 6.535 21.869 1.00 0.62 O ATOM 1873 CB VAL A 139 -0.433 7.779 22.005 1.00 0.70 C ATOM 1874 CG1 VAL A 139 -0.583 9.292 22.076 1.00 1.19 C ATOM 1875 CG2 VAL A 139 -1.792 7.091 22.012 1.00 1.48 C ATOM 0 H VAL A 139 -0.455 5.460 20.906 1.00 0.45 H new ATOM 0 HA VAL A 139 0.194 8.087 19.976 1.00 0.49 H new ATOM 0 HB VAL A 139 0.102 7.446 22.894 1.00 0.70 H new ATOM 0 HG11 VAL A 139 -1.174 9.558 22.953 1.00 1.19 H new ATOM 0 HG12 VAL A 139 0.402 9.752 22.149 1.00 1.19 H new ATOM 0 HG13 VAL A 139 -1.085 9.650 21.178 1.00 1.19 H new ATOM 0 HG21 VAL A 139 -2.351 7.399 22.895 1.00 1.48 H new ATOM 0 HG22 VAL A 139 -2.346 7.370 21.116 1.00 1.48 H new ATOM 0 HG23 VAL A 139 -1.653 6.010 22.030 1.00 1.48 H new ATOM 1885 N LYS A 140 2.531 8.445 20.698 1.00 0.47 N ATOM 1886 CA LYS A 140 3.947 8.657 20.964 1.00 0.54 C ATOM 1887 C LYS A 140 4.325 10.096 20.595 1.00 0.59 C ATOM 1888 O LYS A 140 3.481 10.840 20.096 1.00 0.68 O ATOM 1889 CB LYS A 140 4.777 7.624 20.188 1.00 0.68 C ATOM 1890 CG LYS A 140 5.058 7.990 18.739 1.00 0.81 C ATOM 1891 CD LYS A 140 6.142 7.101 18.155 1.00 1.12 C ATOM 1892 CE LYS A 140 7.514 7.744 18.276 1.00 1.63 C ATOM 1893 NZ LYS A 140 8.582 6.887 17.692 1.00 2.20 N ATOM 0 H LYS A 140 2.108 9.169 20.117 1.00 0.47 H new ATOM 0 HA LYS A 140 4.159 8.519 22.024 1.00 0.54 H new ATOM 0 HB2 LYS A 140 5.727 7.481 20.703 1.00 0.68 H new ATOM 0 HB3 LYS A 140 4.255 6.667 20.212 1.00 0.68 H new ATOM 0 HG2 LYS A 140 4.145 7.891 18.151 1.00 0.81 H new ATOM 0 HG3 LYS A 140 5.366 9.034 18.677 1.00 0.81 H new ATOM 0 HD2 LYS A 140 6.143 6.140 18.670 1.00 1.12 H new ATOM 0 HD3 LYS A 140 5.924 6.901 17.106 1.00 1.12 H new ATOM 0 HE2 LYS A 140 7.508 8.710 17.772 1.00 1.63 H new ATOM 0 HE3 LYS A 140 7.735 7.934 19.326 1.00 1.63 H new ATOM 0 HZ1 LYS A 140 9.508 7.337 17.840 1.00 2.20 H new ATOM 0 HZ2 LYS A 140 8.572 5.956 18.155 1.00 2.20 H new ATOM 0 HZ3 LYS A 140 8.413 6.769 16.673 1.00 2.20 H new ATOM 1907 N PRO A 141 5.585 10.526 20.822 1.00 0.69 N ATOM 1908 CA PRO A 141 6.016 11.887 20.487 1.00 0.81 C ATOM 1909 C PRO A 141 5.572 12.302 19.085 1.00 1.00 C ATOM 1910 O PRO A 141 5.004 11.499 18.345 1.00 1.31 O ATOM 1911 CB PRO A 141 7.551 11.826 20.574 1.00 0.97 C ATOM 1912 CG PRO A 141 7.892 10.385 20.783 1.00 1.06 C ATOM 1913 CD PRO A 141 6.684 9.751 21.409 1.00 0.83 C ATOM 0 HA PRO A 141 5.578 12.626 21.158 1.00 0.81 H new ATOM 0 HB2 PRO A 141 8.010 12.208 19.662 1.00 0.97 H new ATOM 0 HB3 PRO A 141 7.920 12.438 21.397 1.00 0.97 H new ATOM 0 HG2 PRO A 141 8.138 9.903 19.837 1.00 1.06 H new ATOM 0 HG3 PRO A 141 8.764 10.282 21.429 1.00 1.06 H new ATOM 0 HD2 PRO A 141 6.609 8.691 21.166 1.00 0.83 H new ATOM 0 HD3 PRO A 141 6.701 9.829 22.496 1.00 0.83 H new ATOM 1921 N SER A 142 5.823 13.564 18.733 1.00 1.11 N ATOM 1922 CA SER A 142 5.440 14.102 17.423 1.00 1.45 C ATOM 1923 C SER A 142 5.550 13.052 16.317 1.00 1.70 C ATOM 1924 O SER A 142 4.553 12.454 15.913 1.00 2.25 O ATOM 1925 CB SER A 142 6.311 15.312 17.079 1.00 1.68 C ATOM 1926 OG SER A 142 7.677 15.050 17.352 1.00 2.31 O ATOM 0 H SER A 142 6.292 14.237 19.339 1.00 1.11 H new ATOM 0 HA SER A 142 4.395 14.406 17.487 1.00 1.45 H new ATOM 0 HB2 SER A 142 6.189 15.564 16.026 1.00 1.68 H new ATOM 0 HB3 SER A 142 5.981 16.177 17.654 1.00 1.68 H new ATOM 0 HG SER A 142 8.213 15.837 17.122 1.00 2.31 H new ATOM 1932 N GLY A 143 6.769 12.830 15.838 1.00 1.71 N ATOM 1933 CA GLY A 143 6.995 11.848 14.790 1.00 2.26 C ATOM 1934 C GLY A 143 6.381 12.230 13.448 1.00 1.83 C ATOM 1935 O GLY A 143 6.588 11.535 12.454 1.00 2.52 O ATOM 0 H GLY A 143 7.608 13.314 16.157 1.00 1.71 H new ATOM 0 HA2 GLY A 143 8.068 11.708 14.661 1.00 2.26 H new ATOM 0 HA3 GLY A 143 6.584 10.890 15.108 1.00 2.26 H new ATOM 1939 N ALA A 144 5.628 13.327 13.410 1.00 1.27 N ATOM 1940 CA ALA A 144 4.995 13.772 12.173 1.00 1.39 C ATOM 1941 C ALA A 144 5.941 14.643 11.353 1.00 2.01 C ATOM 1942 O ALA A 144 6.128 14.346 10.154 1.00 2.51 O ATOM 1943 CB ALA A 144 3.709 14.525 12.481 1.00 1.73 C ATOM 1944 OXT ALA A 144 6.486 15.615 11.917 1.00 2.60 O ATOM 0 H ALA A 144 5.442 13.921 14.218 1.00 1.27 H new ATOM 0 HA ALA A 144 4.753 12.891 11.579 1.00 1.39 H new ATOM 0 HB1 ALA A 144 3.247 14.852 11.550 1.00 1.73 H new ATOM 0 HB2 ALA A 144 3.023 13.869 13.016 1.00 1.73 H new ATOM 0 HB3 ALA A 144 3.935 15.395 13.098 1.00 1.73 H new TER 1950 ALA A 144