USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 738 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 160 SER OG : rot 180:sc= 1.03 USER MOD Set 1.2: A 163 SER OG : rot 68:sc= 1.22 USER MOD Set 2.1: A 88 HIS : no HE2:sc= 0.306 K(o=0.47,f=-2.4) USER MOD Set 2.2: A 90 HIS : no HD1:sc= 0.162 K(o=0.47,f=-0.79) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 0.821 K(o=0.82,f=-3.1!) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.0039 X(o=-0.0039,f=-0.068) USER MOD Single : A 100 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.66) USER MOD Single : A 101 MET CE :methyl -156:sc= -0.394 (180deg=-1.49) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 114:sc= 0.891 USER MOD Single : A 113 SER OG : rot -130:sc= 0.0556 USER MOD Single : A 116 THR OG1 : rot 32:sc= 0.997 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 129 ASN : amide:sc=-0.000788 K(o=-0.00079,f=-0.73) USER MOD Single : A 134 CYS SG : rot -176:sc= -2.04 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot 148:sc= 1.26 USER MOD Single : A 146 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.18) USER MOD Single : A 149 TYR OH : rot 32:sc= 1.21 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 ASN : amide:sc= -0.0794 K(o=-0.079,f=-2.7!) USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 164 TYR OH : rot 163:sc= 0.473 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= -0.026 K(o=-0.026,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 80 3.749 -2.389 4.222 1.00 25.00 N ATOM 2 CA MET A 80 3.813 -3.701 4.923 1.00 25.00 C ATOM 3 C MET A 80 5.229 -4.241 5.033 1.00 25.00 C ATOM 4 O MET A 80 5.509 -5.380 5.338 1.00 25.00 O ATOM 5 CB MET A 80 2.887 -4.720 4.221 1.00 25.00 C ATOM 6 CG MET A 80 1.399 -4.389 4.464 1.00 25.00 C ATOM 7 SD MET A 80 0.736 -3.118 3.334 1.00 25.00 S ATOM 8 CE MET A 80 -0.966 -2.979 3.971 1.00 25.00 C ATOM 0 HA MET A 80 3.466 -3.541 5.944 1.00 25.00 H new ATOM 0 HB2 MET A 80 3.091 -4.722 3.150 1.00 25.00 H new ATOM 0 HB3 MET A 80 3.103 -5.723 4.588 1.00 25.00 H new ATOM 0 HG2 MET A 80 0.811 -5.300 4.356 1.00 25.00 H new ATOM 0 HG3 MET A 80 1.275 -4.049 5.492 1.00 25.00 H new ATOM 0 HE1 MET A 80 -1.513 -2.238 3.388 1.00 25.00 H new ATOM 0 HE2 MET A 80 -1.465 -3.945 3.891 1.00 25.00 H new ATOM 0 HE3 MET A 80 -0.939 -2.670 5.016 1.00 25.00 H new ATOM 18 N GLY A 81 6.169 -3.328 4.789 1.00 25.00 N ATOM 19 CA GLY A 81 7.590 -3.613 4.882 1.00 25.00 C ATOM 20 C GLY A 81 8.382 -2.329 4.770 1.00 25.00 C ATOM 21 O GLY A 81 7.838 -1.302 4.373 1.00 25.00 O ATOM 0 H GLY A 81 5.959 -2.367 4.520 1.00 25.00 H new ATOM 0 HA2 GLY A 81 7.810 -4.104 5.830 1.00 25.00 H new ATOM 0 HA3 GLY A 81 7.884 -4.302 4.090 1.00 25.00 H new ATOM 25 N HIS A 82 9.651 -2.375 5.144 1.00 25.00 N ATOM 26 CA HIS A 82 10.522 -1.203 5.106 1.00 25.00 C ATOM 27 C HIS A 82 11.955 -1.682 4.938 1.00 25.00 C ATOM 28 O HIS A 82 12.368 -2.634 5.598 1.00 25.00 O ATOM 29 CB HIS A 82 10.394 -0.411 6.413 1.00 25.00 C ATOM 30 CG HIS A 82 11.278 0.794 6.473 1.00 25.00 C ATOM 31 ND1 HIS A 82 12.568 0.787 6.943 1.00 25.00 N ATOM 32 CD2 HIS A 82 11.044 2.086 6.108 1.00 25.00 C ATOM 33 CE1 HIS A 82 13.056 2.019 6.840 1.00 25.00 C ATOM 34 NE2 HIS A 82 12.170 2.852 6.337 1.00 25.00 N ATOM 0 H HIS A 82 10.108 -3.222 5.482 1.00 25.00 H new ATOM 0 HA HIS A 82 10.238 -0.554 4.277 1.00 25.00 H new ATOM 0 HB2 HIS A 82 9.358 -0.097 6.538 1.00 25.00 H new ATOM 0 HB3 HIS A 82 10.631 -1.067 7.250 1.00 25.00 H new ATOM 0 HD2 HIS A 82 10.115 2.456 5.700 1.00 25.00 H new ATOM 0 HE1 HIS A 82 14.056 2.302 7.133 1.00 25.00 H new ATOM 0 HE2 HIS A 82 12.289 3.849 6.155 1.00 25.00 H new ATOM 42 N HIS A 83 12.716 -1.025 4.075 1.00 25.00 N ATOM 43 CA HIS A 83 14.109 -1.391 3.844 1.00 25.00 C ATOM 44 C HIS A 83 14.965 -0.134 3.869 1.00 25.00 C ATOM 45 O HIS A 83 14.620 0.867 3.260 1.00 25.00 O ATOM 46 CB HIS A 83 14.248 -2.095 2.495 1.00 25.00 C ATOM 47 CG HIS A 83 13.426 -3.342 2.381 1.00 25.00 C ATOM 48 ND1 HIS A 83 13.823 -4.576 2.832 1.00 25.00 N ATOM 49 CD2 HIS A 83 12.188 -3.542 1.850 1.00 25.00 C ATOM 50 CE1 HIS A 83 12.850 -5.444 2.575 1.00 25.00 C ATOM 51 NE2 HIS A 83 11.826 -4.867 1.981 1.00 25.00 N ATOM 0 H HIS A 83 12.392 -0.233 3.520 1.00 25.00 H new ATOM 0 HA HIS A 83 14.442 -2.073 4.627 1.00 25.00 H new ATOM 0 HB2 HIS A 83 13.957 -1.405 1.703 1.00 25.00 H new ATOM 0 HB3 HIS A 83 15.296 -2.345 2.331 1.00 25.00 H new ATOM 0 HD2 HIS A 83 11.579 -2.776 1.393 1.00 25.00 H new ATOM 0 HE1 HIS A 83 12.894 -6.494 2.823 1.00 25.00 H new ATOM 0 HE2 HIS A 83 10.954 -5.305 1.683 1.00 25.00 H new ATOM 59 N HIS A 84 16.070 -0.194 4.600 1.00 25.00 N ATOM 60 CA HIS A 84 16.969 0.954 4.754 1.00 25.00 C ATOM 61 C HIS A 84 18.223 0.792 3.894 1.00 25.00 C ATOM 62 O HIS A 84 18.694 1.749 3.289 1.00 25.00 O ATOM 63 CB HIS A 84 17.363 1.086 6.231 1.00 25.00 C ATOM 64 CG HIS A 84 18.136 2.331 6.543 1.00 25.00 C ATOM 65 ND1 HIS A 84 19.470 2.507 6.270 1.00 25.00 N ATOM 66 CD2 HIS A 84 17.743 3.492 7.135 1.00 25.00 C ATOM 67 CE1 HIS A 84 19.823 3.718 6.682 1.00 25.00 C ATOM 68 NE2 HIS A 84 18.811 4.363 7.226 1.00 25.00 N ATOM 0 H HIS A 84 16.371 -1.030 5.101 1.00 25.00 H new ATOM 0 HA HIS A 84 16.450 1.853 4.423 1.00 25.00 H new ATOM 0 HB2 HIS A 84 16.460 1.068 6.841 1.00 25.00 H new ATOM 0 HB3 HIS A 84 17.958 0.219 6.517 1.00 25.00 H new ATOM 0 HD1 HIS A 84 20.084 1.824 5.827 1.00 25.00 H new ATOM 0 HD2 HIS A 84 16.742 3.701 7.483 1.00 25.00 H new ATOM 0 HE1 HIS A 84 20.818 4.125 6.583 1.00 25.00 H new ATOM 76 N HIS A 85 18.737 -0.435 3.851 1.00 25.00 N ATOM 77 CA HIS A 85 19.988 -0.775 3.151 1.00 25.00 C ATOM 78 C HIS A 85 21.164 -0.004 3.760 1.00 25.00 C ATOM 79 O HIS A 85 21.064 0.526 4.869 1.00 25.00 O ATOM 80 CB HIS A 85 19.889 -0.515 1.635 1.00 25.00 C ATOM 81 CG HIS A 85 18.613 -0.996 1.021 1.00 25.00 C ATOM 82 ND1 HIS A 85 17.532 -0.193 0.757 1.00 25.00 N ATOM 83 CD2 HIS A 85 18.245 -2.235 0.594 1.00 25.00 C ATOM 84 CE1 HIS A 85 16.587 -0.938 0.197 1.00 25.00 C ATOM 85 NE2 HIS A 85 16.964 -2.196 0.082 1.00 25.00 N ATOM 0 H HIS A 85 18.296 -1.235 4.305 1.00 25.00 H new ATOM 0 HA HIS A 85 20.161 -1.843 3.282 1.00 25.00 H new ATOM 0 HB2 HIS A 85 19.988 0.555 1.452 1.00 25.00 H new ATOM 0 HB3 HIS A 85 20.727 -1.002 1.137 1.00 25.00 H new ATOM 0 HD2 HIS A 85 18.864 -3.118 0.648 1.00 25.00 H new ATOM 0 HE1 HIS A 85 15.628 -0.560 -0.125 1.00 25.00 H new ATOM 0 HE2 HIS A 85 16.426 -2.972 -0.302 1.00 25.00 H new ATOM 93 N HIS A 86 22.281 0.027 3.052 1.00 25.00 N ATOM 94 CA HIS A 86 23.480 0.716 3.507 1.00 25.00 C ATOM 95 C HIS A 86 24.257 1.083 2.253 1.00 25.00 C ATOM 96 O HIS A 86 23.864 0.701 1.153 1.00 25.00 O ATOM 97 CB HIS A 86 24.326 -0.195 4.409 1.00 25.00 C ATOM 98 CG HIS A 86 24.934 -1.358 3.687 1.00 25.00 C ATOM 99 ND1 HIS A 86 26.229 -1.395 3.230 1.00 25.00 N ATOM 100 CD2 HIS A 86 24.402 -2.562 3.337 1.00 25.00 C ATOM 101 CE1 HIS A 86 26.424 -2.566 2.632 1.00 25.00 C ATOM 102 NE2 HIS A 86 25.342 -3.318 2.667 1.00 25.00 N ATOM 0 H HIS A 86 22.383 -0.425 2.144 1.00 25.00 H new ATOM 0 HA HIS A 86 23.225 1.598 4.095 1.00 25.00 H new ATOM 0 HB2 HIS A 86 25.121 0.396 4.864 1.00 25.00 H new ATOM 0 HB3 HIS A 86 23.702 -0.568 5.221 1.00 25.00 H new ATOM 0 HD2 HIS A 86 23.392 -2.879 3.552 1.00 25.00 H new ATOM 0 HE1 HIS A 86 27.355 -2.865 2.174 1.00 25.00 H new ATOM 0 HE2 HIS A 86 25.225 -4.255 2.282 1.00 25.00 H new ATOM 110 N HIS A 87 25.363 1.786 2.423 1.00 25.00 N ATOM 111 CA HIS A 87 26.244 2.146 1.322 1.00 25.00 C ATOM 112 C HIS A 87 27.634 2.137 1.928 1.00 25.00 C ATOM 113 O HIS A 87 27.763 2.010 3.147 1.00 25.00 O ATOM 114 CB HIS A 87 25.898 3.538 0.778 1.00 25.00 C ATOM 115 CG HIS A 87 26.024 4.628 1.796 1.00 25.00 C ATOM 116 ND1 HIS A 87 25.017 5.019 2.644 1.00 25.00 N ATOM 117 CD2 HIS A 87 27.079 5.435 2.107 1.00 25.00 C ATOM 118 CE1 HIS A 87 25.478 5.999 3.414 1.00 25.00 C ATOM 119 NE2 HIS A 87 26.730 6.291 3.133 1.00 25.00 N ATOM 0 H HIS A 87 25.678 2.125 3.332 1.00 25.00 H new ATOM 0 HA HIS A 87 26.154 1.459 0.480 1.00 25.00 H new ATOM 0 HB2 HIS A 87 26.552 3.762 -0.065 1.00 25.00 H new ATOM 0 HB3 HIS A 87 24.877 3.526 0.395 1.00 25.00 H new ATOM 0 HD2 HIS A 87 28.044 5.408 1.623 1.00 25.00 H new ATOM 0 HE1 HIS A 87 24.896 6.495 4.177 1.00 25.00 H new ATOM 0 HE2 HIS A 87 27.316 6.997 3.577 1.00 25.00 H new ATOM 127 N HIS A 88 28.660 2.261 1.102 1.00 25.00 N ATOM 128 CA HIS A 88 30.034 2.329 1.582 1.00 25.00 C ATOM 129 C HIS A 88 30.833 3.059 0.516 1.00 25.00 C ATOM 130 O HIS A 88 30.457 3.032 -0.656 1.00 25.00 O ATOM 131 CB HIS A 88 30.599 0.925 1.818 1.00 25.00 C ATOM 132 CG HIS A 88 31.738 0.899 2.786 1.00 25.00 C ATOM 133 ND1 HIS A 88 33.063 0.943 2.435 1.00 25.00 N ATOM 134 CD2 HIS A 88 31.738 0.838 4.147 1.00 25.00 C ATOM 135 CE1 HIS A 88 33.791 0.918 3.545 1.00 25.00 C ATOM 136 NE2 HIS A 88 33.034 0.855 4.622 1.00 25.00 N ATOM 0 H HIS A 88 28.568 2.317 0.088 1.00 25.00 H new ATOM 0 HA HIS A 88 30.086 2.854 2.536 1.00 25.00 H new ATOM 0 HB2 HIS A 88 29.803 0.278 2.187 1.00 25.00 H new ATOM 0 HB3 HIS A 88 30.931 0.510 0.866 1.00 25.00 H new ATOM 0 HD1 HIS A 88 33.427 0.987 1.483 1.00 25.00 H new ATOM 0 HD2 HIS A 88 30.853 0.784 4.764 1.00 25.00 H new ATOM 0 HE1 HIS A 88 34.870 0.946 3.563 1.00 25.00 H new ATOM 144 N HIS A 89 31.914 3.713 0.911 1.00 25.00 N ATOM 145 CA HIS A 89 32.749 4.465 -0.019 1.00 25.00 C ATOM 146 C HIS A 89 34.148 3.878 0.000 1.00 25.00 C ATOM 147 O HIS A 89 34.578 3.326 1.008 1.00 25.00 O ATOM 148 CB HIS A 89 32.777 5.942 0.375 1.00 25.00 C ATOM 149 CG HIS A 89 31.443 6.613 0.259 1.00 25.00 C ATOM 150 ND1 HIS A 89 30.905 7.067 -0.920 1.00 25.00 N ATOM 151 CD2 HIS A 89 30.509 6.904 1.207 1.00 25.00 C ATOM 152 CE1 HIS A 89 29.713 7.593 -0.658 1.00 25.00 C ATOM 153 NE2 HIS A 89 29.419 7.518 0.623 1.00 25.00 N ATOM 0 H HIS A 89 32.238 3.739 1.878 1.00 25.00 H new ATOM 0 HA HIS A 89 32.340 4.394 -1.027 1.00 25.00 H new ATOM 0 HB2 HIS A 89 33.132 6.030 1.402 1.00 25.00 H new ATOM 0 HB3 HIS A 89 33.495 6.465 -0.256 1.00 25.00 H new ATOM 0 HD2 HIS A 89 30.607 6.686 2.260 1.00 25.00 H new ATOM 0 HE1 HIS A 89 29.065 8.028 -1.404 1.00 25.00 H new ATOM 0 HE2 HIS A 89 28.569 7.843 1.084 1.00 25.00 H new ATOM 161 N HIS A 90 34.836 3.965 -1.128 1.00 25.00 N ATOM 162 CA HIS A 90 36.162 3.383 -1.279 1.00 25.00 C ATOM 163 C HIS A 90 37.013 4.349 -2.084 1.00 25.00 C ATOM 164 O HIS A 90 36.484 5.280 -2.689 1.00 25.00 O ATOM 165 CB HIS A 90 36.070 2.042 -2.020 1.00 0.00 C ATOM 166 CG HIS A 90 35.067 1.099 -1.430 1.00 25.00 C ATOM 167 ND1 HIS A 90 33.793 0.920 -1.913 1.00 25.00 N ATOM 168 CD2 HIS A 90 35.160 0.262 -0.361 1.00 25.00 C ATOM 169 CE1 HIS A 90 33.181 0.023 -1.148 1.00 25.00 C ATOM 170 NE2 HIS A 90 33.965 -0.408 -0.183 1.00 25.00 N ATOM 0 H HIS A 90 34.493 4.440 -1.963 1.00 25.00 H new ATOM 0 HA HIS A 90 36.604 3.208 -0.298 1.00 25.00 H new ATOM 0 HB2 HIS A 90 35.811 2.229 -3.062 1.00 0.00 H new ATOM 0 HB3 HIS A 90 37.051 1.566 -2.016 1.00 0.00 H new ATOM 0 HD2 HIS A 90 36.038 0.140 0.256 1.00 25.00 H new ATOM 0 HE1 HIS A 90 32.165 -0.311 -1.299 1.00 25.00 H new ATOM 0 HE2 HIS A 90 33.739 -1.090 0.541 1.00 25.00 H new ATOM 178 N HIS A 91 38.312 4.105 -2.117 1.00 25.00 N ATOM 179 CA HIS A 91 39.249 4.895 -2.904 1.00 25.00 C ATOM 180 C HIS A 91 40.385 3.939 -3.224 1.00 25.00 C ATOM 181 O HIS A 91 40.424 2.838 -2.676 1.00 25.00 O ATOM 182 CB HIS A 91 39.767 6.102 -2.108 1.00 25.00 C ATOM 183 CG HIS A 91 40.634 5.729 -0.944 1.00 25.00 C ATOM 184 ND1 HIS A 91 40.162 5.390 0.300 1.00 25.00 N ATOM 185 CD2 HIS A 91 41.990 5.643 -0.842 1.00 25.00 C ATOM 186 CE1 HIS A 91 41.206 5.113 1.079 1.00 25.00 C ATOM 187 NE2 HIS A 91 42.344 5.246 0.431 1.00 25.00 N ATOM 0 H HIS A 91 38.752 3.347 -1.595 1.00 25.00 H new ATOM 0 HA HIS A 91 38.782 5.303 -3.800 1.00 25.00 H new ATOM 0 HB2 HIS A 91 40.332 6.752 -2.777 1.00 25.00 H new ATOM 0 HB3 HIS A 91 38.916 6.679 -1.746 1.00 25.00 H new ATOM 0 HD2 HIS A 91 42.686 5.855 -1.641 1.00 25.00 H new ATOM 0 HE1 HIS A 91 41.129 4.816 2.114 1.00 25.00 H new ATOM 0 HE2 HIS A 91 43.285 5.089 0.792 1.00 25.00 H new ATOM 195 N SER A 92 41.307 4.354 -4.076 1.00 25.00 N ATOM 196 CA SER A 92 42.469 3.544 -4.418 1.00 25.00 C ATOM 197 C SER A 92 43.618 4.504 -4.649 1.00 25.00 C ATOM 198 O SER A 92 43.383 5.671 -4.956 1.00 25.00 O ATOM 199 CB SER A 92 42.193 2.736 -5.686 1.00 25.00 C ATOM 200 OG SER A 92 41.805 3.593 -6.749 1.00 25.00 O ATOM 0 H SER A 92 41.274 5.257 -4.549 1.00 25.00 H new ATOM 0 HA SER A 92 42.703 2.839 -3.621 1.00 25.00 H new ATOM 0 HB2 SER A 92 43.085 2.177 -5.969 1.00 25.00 H new ATOM 0 HB3 SER A 92 41.407 2.006 -5.495 1.00 25.00 H new ATOM 0 HG SER A 92 41.634 3.060 -7.553 1.00 25.00 H new ATOM 206 N SER A 93 44.843 4.029 -4.495 1.00 25.00 N ATOM 207 CA SER A 93 46.028 4.853 -4.701 1.00 25.00 C ATOM 208 C SER A 93 47.192 3.922 -5.000 1.00 25.00 C ATOM 209 O SER A 93 47.093 2.719 -4.766 1.00 25.00 O ATOM 210 CB SER A 93 46.330 5.677 -3.444 1.00 25.00 C ATOM 211 OG SER A 93 46.533 4.834 -2.323 1.00 25.00 O ATOM 0 H SER A 93 45.046 3.067 -4.225 1.00 25.00 H new ATOM 0 HA SER A 93 45.866 5.545 -5.527 1.00 25.00 H new ATOM 0 HB2 SER A 93 47.217 6.288 -3.610 1.00 25.00 H new ATOM 0 HB3 SER A 93 45.504 6.360 -3.245 1.00 25.00 H new ATOM 0 HG SER A 93 46.726 5.381 -1.533 1.00 25.00 H new ATOM 217 N GLY A 94 48.283 4.482 -5.497 1.00 25.00 N ATOM 218 CA GLY A 94 49.493 3.724 -5.755 1.00 25.00 C ATOM 219 C GLY A 94 50.551 4.749 -6.090 1.00 25.00 C ATOM 220 O GLY A 94 50.203 5.806 -6.620 1.00 25.00 O ATOM 0 H GLY A 94 48.353 5.472 -5.732 1.00 25.00 H new ATOM 0 HA2 GLY A 94 49.780 3.135 -4.884 1.00 25.00 H new ATOM 0 HA3 GLY A 94 49.349 3.025 -6.579 1.00 25.00 H new ATOM 224 N HIS A 95 51.800 4.489 -5.734 1.00 25.00 N ATOM 225 CA HIS A 95 52.893 5.433 -5.949 1.00 25.00 C ATOM 226 C HIS A 95 54.179 4.659 -5.698 1.00 25.00 C ATOM 227 O HIS A 95 54.099 3.516 -5.248 1.00 25.00 O ATOM 228 CB HIS A 95 52.793 6.611 -4.967 1.00 25.00 C ATOM 229 CG HIS A 95 53.378 7.883 -5.499 1.00 25.00 C ATOM 230 ND1 HIS A 95 54.559 8.438 -5.071 1.00 25.00 N ATOM 231 CD2 HIS A 95 52.918 8.730 -6.461 1.00 25.00 C ATOM 232 CE1 HIS A 95 54.769 9.554 -5.767 1.00 25.00 C ATOM 233 NE2 HIS A 95 53.800 9.776 -6.631 1.00 25.00 N ATOM 0 H HIS A 95 52.087 3.618 -5.288 1.00 25.00 H new ATOM 0 HA HIS A 95 52.860 5.845 -6.958 1.00 25.00 H new ATOM 0 HB2 HIS A 95 51.745 6.778 -4.718 1.00 25.00 H new ATOM 0 HB3 HIS A 95 53.302 6.346 -4.040 1.00 25.00 H new ATOM 0 HD2 HIS A 95 51.997 8.601 -7.010 1.00 25.00 H new ATOM 0 HE1 HIS A 95 55.627 10.197 -5.639 1.00 25.00 H new ATOM 0 HE2 HIS A 95 53.719 10.554 -7.285 1.00 25.00 H new ATOM 241 N ILE A 96 55.325 5.304 -5.931 1.00 25.00 N ATOM 242 CA ILE A 96 56.670 4.725 -5.709 1.00 25.00 C ATOM 243 C ILE A 96 56.913 3.695 -6.839 1.00 25.00 C ATOM 244 O ILE A 96 56.029 3.468 -7.657 1.00 25.00 O ATOM 245 CB ILE A 96 56.859 4.137 -4.222 1.00 25.00 C ATOM 246 CG1 ILE A 96 56.369 5.168 -3.170 1.00 25.00 C ATOM 247 CG2 ILE A 96 58.362 3.803 -3.909 1.00 25.00 C ATOM 248 CD1 ILE A 96 56.172 4.595 -1.751 1.00 25.00 C ATOM 0 H ILE A 96 55.354 6.260 -6.285 1.00 25.00 H new ATOM 0 HA ILE A 96 57.436 5.498 -5.762 1.00 25.00 H new ATOM 0 HB ILE A 96 56.271 3.220 -4.170 1.00 25.00 H new ATOM 0 HG12 ILE A 96 57.088 5.986 -3.121 1.00 25.00 H new ATOM 0 HG13 ILE A 96 55.425 5.593 -3.510 1.00 25.00 H new ATOM 0 HG21 ILE A 96 58.444 3.409 -2.896 1.00 25.00 H new ATOM 0 HG22 ILE A 96 58.725 3.059 -4.618 1.00 25.00 H new ATOM 0 HG23 ILE A 96 58.962 4.709 -3.996 1.00 25.00 H new ATOM 0 HD11 ILE A 96 55.829 5.386 -1.084 1.00 25.00 H new ATOM 0 HD12 ILE A 96 55.430 3.797 -1.780 1.00 25.00 H new ATOM 0 HD13 ILE A 96 57.118 4.196 -1.385 1.00 25.00 H new ATOM 260 N GLU A 97 58.141 3.188 -6.938 1.00 25.00 N ATOM 261 CA GLU A 97 58.589 2.262 -8.003 1.00 25.00 C ATOM 262 C GLU A 97 58.623 2.929 -9.391 1.00 25.00 C ATOM 263 O GLU A 97 58.926 2.299 -10.402 1.00 25.00 O ATOM 264 CB GLU A 97 57.758 0.965 -8.002 1.00 25.00 C ATOM 265 CG GLU A 97 58.569 -0.277 -8.370 1.00 25.00 C ATOM 266 CD GLU A 97 57.779 -1.566 -8.184 1.00 25.00 C ATOM 267 OE1 GLU A 97 56.755 -1.757 -8.877 1.00 25.00 O ATOM 268 OE2 GLU A 97 58.194 -2.398 -7.346 1.00 25.00 O1- ATOM 0 H GLU A 97 58.878 3.409 -6.268 1.00 25.00 H new ATOM 0 HA GLU A 97 59.620 1.990 -7.775 1.00 25.00 H new ATOM 0 HB2 GLU A 97 57.320 0.824 -7.014 1.00 25.00 H new ATOM 0 HB3 GLU A 97 56.932 1.071 -8.705 1.00 25.00 H new ATOM 0 HG2 GLU A 97 58.894 -0.200 -9.408 1.00 25.00 H new ATOM 0 HG3 GLU A 97 59.469 -0.314 -7.756 1.00 25.00 H new ATOM 275 N GLY A 98 58.391 4.232 -9.411 1.00 25.00 N ATOM 276 CA GLY A 98 58.525 5.004 -10.631 1.00 25.00 C ATOM 277 C GLY A 98 59.972 5.414 -10.823 1.00 25.00 C ATOM 278 O GLY A 98 60.828 5.107 -9.994 1.00 25.00 O ATOM 0 H GLY A 98 58.109 4.775 -8.595 1.00 25.00 H new ATOM 0 HA2 GLY A 98 58.188 4.415 -11.484 1.00 25.00 H new ATOM 0 HA3 GLY A 98 57.890 5.889 -10.584 1.00 25.00 H new ATOM 282 N ARG A 99 60.258 6.115 -11.910 1.00 25.00 N ATOM 283 CA ARG A 99 61.621 6.559 -12.199 1.00 25.00 C ATOM 284 C ARG A 99 61.765 8.046 -11.942 1.00 25.00 C ATOM 285 O ARG A 99 61.246 8.859 -12.691 1.00 25.00 O ATOM 286 CB ARG A 99 61.990 6.254 -13.648 1.00 25.00 C ATOM 287 CG ARG A 99 62.040 4.760 -13.961 1.00 25.00 C ATOM 288 CD ARG A 99 62.523 4.522 -15.382 1.00 25.00 C ATOM 289 NE ARG A 99 63.913 4.979 -15.554 1.00 25.00 N ATOM 290 CZ ARG A 99 64.581 4.991 -16.701 1.00 25.00 C ATOM 291 NH1 ARG A 99 64.053 4.571 -17.825 1.00 25.00 N1+ ATOM 292 NH2 ARG A 99 65.807 5.438 -16.714 1.00 25.00 N ATOM 0 H ARG A 99 59.568 6.390 -12.608 1.00 25.00 H new ATOM 0 HA ARG A 99 62.297 6.017 -11.538 1.00 25.00 H new ATOM 0 HB2 ARG A 99 61.265 6.732 -14.308 1.00 25.00 H new ATOM 0 HB3 ARG A 99 62.962 6.696 -13.868 1.00 25.00 H new ATOM 0 HG2 ARG A 99 62.705 4.259 -13.257 1.00 25.00 H new ATOM 0 HG3 ARG A 99 61.050 4.323 -13.831 1.00 25.00 H new ATOM 0 HD2 ARG A 99 62.454 3.460 -15.620 1.00 25.00 H new ATOM 0 HD3 ARG A 99 61.875 5.048 -16.083 1.00 25.00 H new ATOM 0 HE ARG A 99 64.402 5.314 -14.724 1.00 25.00 H new ATOM 0 HH11 ARG A 99 63.096 4.219 -17.839 1.00 25.00 H new ATOM 0 HH12 ARG A 99 64.599 4.596 -18.686 1.00 25.00 H new ATOM 0 HH21 ARG A 99 66.238 5.771 -15.851 1.00 25.00 H new ATOM 0 HH22 ARG A 99 66.335 5.454 -17.587 1.00 25.00 H new ATOM 306 N HIS A 100 62.475 8.374 -10.877 1.00 25.00 N ATOM 307 CA HIS A 100 62.774 9.750 -10.496 1.00 25.00 C ATOM 308 C HIS A 100 64.052 9.618 -9.683 1.00 25.00 C ATOM 309 O HIS A 100 64.509 8.497 -9.455 1.00 25.00 O ATOM 310 CB HIS A 100 61.666 10.364 -9.608 1.00 25.00 C ATOM 311 CG HIS A 100 60.420 9.536 -9.510 1.00 25.00 C ATOM 312 ND1 HIS A 100 59.390 9.576 -10.415 1.00 25.00 N ATOM 313 CD2 HIS A 100 60.027 8.632 -8.569 1.00 25.00 C ATOM 314 CE1 HIS A 100 58.444 8.737 -10.009 1.00 25.00 C ATOM 315 NE2 HIS A 100 58.781 8.126 -8.890 1.00 25.00 N ATOM 0 H HIS A 100 62.868 7.682 -10.239 1.00 25.00 H new ATOM 0 HA HIS A 100 62.857 10.400 -11.367 1.00 25.00 H new ATOM 0 HB2 HIS A 100 62.065 10.518 -8.605 1.00 25.00 H new ATOM 0 HB3 HIS A 100 61.405 11.346 -10.002 1.00 25.00 H new ATOM 0 HD2 HIS A 100 60.604 8.352 -7.700 1.00 25.00 H new ATOM 0 HE1 HIS A 100 57.513 8.575 -10.531 1.00 25.00 H new ATOM 0 HE2 HIS A 100 58.240 7.432 -8.374 1.00 25.00 H new ATOM 323 N MET A 101 64.587 10.730 -9.206 1.00 25.00 N ATOM 324 CA MET A 101 65.731 10.726 -8.300 1.00 25.00 C ATOM 325 C MET A 101 65.391 11.624 -7.123 1.00 25.00 C ATOM 326 O MET A 101 64.674 12.613 -7.285 1.00 25.00 O ATOM 327 CB MET A 101 66.982 11.283 -8.982 1.00 25.00 C ATOM 328 CG MET A 101 67.330 10.623 -10.308 1.00 25.00 C ATOM 329 SD MET A 101 68.964 11.130 -10.912 1.00 25.00 S ATOM 330 CE MET A 101 68.813 12.960 -10.955 1.00 25.00 C ATOM 0 H MET A 101 64.243 11.663 -9.434 1.00 25.00 H new ATOM 0 HA MET A 101 65.934 9.702 -7.988 1.00 25.00 H new ATOM 0 HB2 MET A 101 66.843 12.351 -9.149 1.00 25.00 H new ATOM 0 HB3 MET A 101 67.828 11.173 -8.304 1.00 25.00 H new ATOM 0 HG2 MET A 101 67.307 9.540 -10.191 1.00 25.00 H new ATOM 0 HG3 MET A 101 66.574 10.879 -11.050 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.526 13.367 -11.672 1.00 25.00 H new ATOM 0 HE2 MET A 101 67.801 13.235 -11.253 1.00 25.00 H new ATOM 0 HE3 MET A 101 69.022 13.366 -9.965 1.00 25.00 H new ATOM 340 N LEU A 102 65.929 11.309 -5.960 1.00 25.00 N ATOM 341 CA LEU A 102 65.774 12.139 -4.774 1.00 25.00 C ATOM 342 C LEU A 102 67.141 12.728 -4.455 1.00 25.00 C ATOM 343 O LEU A 102 68.136 12.003 -4.409 1.00 25.00 O ATOM 344 CB LEU A 102 65.279 11.287 -3.598 1.00 25.00 C ATOM 345 CG LEU A 102 64.920 12.057 -2.316 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.597 12.813 -2.476 1.00 25.00 C ATOM 347 CD2 LEU A 102 64.810 11.088 -1.143 1.00 25.00 C ATOM 0 H LEU A 102 66.488 10.469 -5.808 1.00 25.00 H new ATOM 0 HA LEU A 102 65.044 12.930 -4.947 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.400 10.730 -3.922 1.00 25.00 H new ATOM 0 HB3 LEU A 102 66.049 10.555 -3.355 1.00 25.00 H new ATOM 0 HG LEU A 102 65.712 12.781 -2.125 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.370 13.348 -1.554 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.682 13.525 -3.297 1.00 25.00 H new ATOM 0 HD13 LEU A 102 62.797 12.105 -2.691 1.00 25.00 H new ATOM 0 HD21 LEU A 102 64.556 11.640 -0.238 1.00 25.00 H new ATOM 0 HD22 LEU A 102 64.033 10.353 -1.350 1.00 25.00 H new ATOM 0 HD23 LEU A 102 65.763 10.578 -1.001 1.00 25.00 H new ATOM 359 N LEU A 103 67.198 14.035 -4.251 1.00 25.00 N ATOM 360 CA LEU A 103 68.451 14.714 -3.919 1.00 25.00 C ATOM 361 C LEU A 103 68.266 15.468 -2.628 1.00 25.00 C ATOM 362 O LEU A 103 67.192 16.010 -2.378 1.00 25.00 O ATOM 363 CB LEU A 103 68.841 15.708 -5.015 1.00 25.00 C ATOM 364 CG LEU A 103 69.127 15.109 -6.396 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.399 16.234 -7.373 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.312 14.164 -6.360 1.00 25.00 C ATOM 0 H LEU A 103 66.389 14.654 -4.309 1.00 25.00 H new ATOM 0 HA LEU A 103 69.239 13.967 -3.825 1.00 25.00 H new ATOM 0 HB2 LEU A 103 68.039 16.439 -5.117 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.727 16.251 -4.686 1.00 25.00 H new ATOM 0 HG LEU A 103 68.256 14.535 -6.711 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.604 15.818 -8.359 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.528 16.887 -7.428 1.00 25.00 H new ATOM 0 HD13 LEU A 103 70.262 16.808 -7.035 1.00 25.00 H new ATOM 0 HD21 LEU A 103 70.485 13.759 -7.357 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.199 14.705 -6.030 1.00 25.00 H new ATOM 0 HD23 LEU A 103 70.106 13.348 -5.667 1.00 25.00 H new ATOM 378 N THR A 104 69.306 15.529 -1.816 1.00 25.00 N ATOM 379 CA THR A 104 69.232 16.269 -0.561 1.00 25.00 C ATOM 380 C THR A 104 69.767 17.669 -0.816 1.00 25.00 C ATOM 381 O THR A 104 70.733 17.842 -1.545 1.00 25.00 O ATOM 382 CB THR A 104 70.042 15.574 0.549 1.00 25.00 C ATOM 383 OG1 THR A 104 69.680 14.192 0.599 1.00 25.00 O ATOM 384 CG2 THR A 104 69.746 16.185 1.916 1.00 25.00 C ATOM 0 H THR A 104 70.205 15.082 -1.997 1.00 25.00 H new ATOM 0 HA THR A 104 68.198 16.311 -0.219 1.00 25.00 H new ATOM 0 HB THR A 104 71.100 15.699 0.321 1.00 25.00 H new ATOM 0 HG1 THR A 104 70.194 13.744 1.303 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.333 15.673 2.678 1.00 25.00 H new ATOM 0 HG22 THR A 104 70.008 17.243 1.906 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.685 16.076 2.141 1.00 25.00 H new ATOM 392 N VAL A 105 69.134 18.674 -0.245 1.00 25.00 N ATOM 393 CA VAL A 105 69.568 20.051 -0.411 1.00 25.00 C ATOM 394 C VAL A 105 69.782 20.667 0.961 1.00 25.00 C ATOM 395 O VAL A 105 68.919 20.575 1.830 1.00 25.00 O ATOM 396 CB VAL A 105 68.521 20.871 -1.192 1.00 25.00 C ATOM 397 CG1 VAL A 105 69.032 22.286 -1.443 1.00 25.00 C ATOM 398 CG2 VAL A 105 68.198 20.195 -2.534 1.00 25.00 C ATOM 0 H VAL A 105 68.309 18.563 0.344 1.00 25.00 H new ATOM 0 HA VAL A 105 70.498 20.062 -0.979 1.00 25.00 H new ATOM 0 HB VAL A 105 67.613 20.920 -0.592 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.281 22.851 -1.995 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.227 22.777 -0.490 1.00 25.00 H new ATOM 0 HG13 VAL A 105 69.953 22.242 -2.024 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.458 20.788 -3.071 1.00 25.00 H new ATOM 0 HG22 VAL A 105 69.106 20.121 -3.132 1.00 25.00 H new ATOM 0 HG23 VAL A 105 67.801 19.196 -2.352 1.00 25.00 H new ATOM 408 N TYR A 106 70.929 21.295 1.160 1.00 25.00 N ATOM 409 CA TYR A 106 71.233 21.966 2.418 1.00 25.00 C ATOM 410 C TYR A 106 71.391 23.458 2.137 1.00 25.00 C ATOM 411 O TYR A 106 72.313 23.866 1.435 1.00 25.00 O ATOM 412 CB TYR A 106 72.508 21.376 3.028 1.00 25.00 C ATOM 413 CG TYR A 106 72.610 21.597 4.521 1.00 25.00 C ATOM 414 CD1 TYR A 106 72.696 22.896 5.058 1.00 25.00 C ATOM 415 CD2 TYR A 106 72.609 20.504 5.412 1.00 25.00 C ATOM 416 CE1 TYR A 106 72.767 23.101 6.461 1.00 25.00 C ATOM 417 CE2 TYR A 106 72.679 20.707 6.818 1.00 25.00 C ATOM 418 CZ TYR A 106 72.752 22.009 7.325 1.00 25.00 C ATOM 419 OH TYR A 106 72.809 22.219 8.677 1.00 25.00 O ATOM 0 H TYR A 106 71.671 21.355 0.463 1.00 25.00 H new ATOM 0 HA TYR A 106 70.427 21.820 3.137 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.540 20.306 2.822 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.376 21.821 2.541 1.00 25.00 H new ATOM 0 HD1 TYR A 106 72.708 23.747 4.394 1.00 25.00 H new ATOM 0 HD2 TYR A 106 72.554 19.499 5.021 1.00 25.00 H new ATOM 0 HE1 TYR A 106 72.833 24.103 6.858 1.00 25.00 H new ATOM 0 HE2 TYR A 106 72.676 19.862 7.490 1.00 25.00 H new ATOM 0 HH TYR A 106 72.788 21.357 9.143 1.00 25.00 H new ATOM 429 N CYS A 107 70.479 24.271 2.650 1.00 25.00 N ATOM 430 CA CYS A 107 70.503 25.710 2.407 1.00 25.00 C ATOM 431 C CYS A 107 71.037 26.438 3.630 1.00 25.00 C ATOM 432 O CYS A 107 70.427 26.415 4.692 1.00 25.00 O ATOM 433 CB CYS A 107 69.095 26.212 2.086 1.00 25.00 C ATOM 434 SG CYS A 107 68.416 25.487 0.584 1.00 25.00 S ATOM 0 H CYS A 107 69.708 23.958 3.241 1.00 25.00 H new ATOM 0 HA CYS A 107 71.157 25.909 1.558 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.435 25.985 2.923 1.00 25.00 H new ATOM 0 HB3 CYS A 107 69.117 27.297 1.982 1.00 25.00 H new ATOM 0 HG CYS A 107 67.406 24.727 0.887 1.00 25.00 H new ATOM 440 N VAL A 108 72.171 27.102 3.467 1.00 25.00 N ATOM 441 CA VAL A 108 72.823 27.804 4.566 1.00 25.00 C ATOM 442 C VAL A 108 72.705 29.312 4.427 1.00 25.00 C ATOM 443 O VAL A 108 73.312 29.920 3.538 1.00 25.00 O ATOM 444 CB VAL A 108 74.338 27.448 4.647 1.00 25.00 C ATOM 445 CG1 VAL A 108 74.977 28.103 5.884 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.539 25.935 4.695 1.00 25.00 C ATOM 0 H VAL A 108 72.664 27.170 2.577 1.00 25.00 H new ATOM 0 HA VAL A 108 72.312 27.481 5.473 1.00 25.00 H new ATOM 0 HB VAL A 108 74.824 27.833 3.751 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.035 27.845 5.927 1.00 25.00 H new ATOM 0 HG12 VAL A 108 74.870 29.186 5.819 1.00 25.00 H new ATOM 0 HG13 VAL A 108 74.479 27.743 6.784 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.604 25.711 4.751 1.00 25.00 H new ATOM 0 HG22 VAL A 108 74.036 25.529 5.573 1.00 25.00 H new ATOM 0 HG23 VAL A 108 74.120 25.484 3.795 1.00 25.00 H new ATOM 456 N ARG A 109 71.991 29.940 5.348 1.00 25.00 N ATOM 457 CA ARG A 109 72.007 31.398 5.433 1.00 25.00 C ATOM 458 C ARG A 109 73.220 31.751 6.266 1.00 25.00 C ATOM 459 O ARG A 109 73.555 31.040 7.205 1.00 25.00 O ATOM 460 CB ARG A 109 70.743 31.952 6.102 1.00 25.00 C ATOM 461 CG ARG A 109 69.483 31.849 5.235 1.00 25.00 C ATOM 462 CD ARG A 109 68.369 32.779 5.738 1.00 25.00 C ATOM 463 NE ARG A 109 68.756 34.200 5.635 1.00 25.00 N ATOM 464 CZ ARG A 109 68.625 35.112 6.595 1.00 25.00 C ATOM 465 NH1 ARG A 109 68.107 34.845 7.763 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 69.049 36.323 6.379 1.00 25.00 N ATOM 0 H ARG A 109 71.401 29.475 6.038 1.00 25.00 H new ATOM 0 HA ARG A 109 72.043 31.832 4.434 1.00 25.00 H new ATOM 0 HB2 ARG A 109 70.574 31.416 7.036 1.00 25.00 H new ATOM 0 HB3 ARG A 109 70.910 32.998 6.360 1.00 25.00 H new ATOM 0 HG2 ARG A 109 69.729 32.101 4.204 1.00 25.00 H new ATOM 0 HG3 ARG A 109 69.125 30.820 5.234 1.00 25.00 H new ATOM 0 HD2 ARG A 109 67.462 32.606 5.159 1.00 25.00 H new ATOM 0 HD3 ARG A 109 68.136 32.540 6.776 1.00 25.00 H new ATOM 0 HE ARG A 109 69.159 34.510 4.751 1.00 25.00 H new ATOM 0 HH11 ARG A 109 67.781 33.902 7.973 1.00 25.00 H new ATOM 0 HH12 ARG A 109 68.028 35.580 8.466 1.00 25.00 H new ATOM 0 HH21 ARG A 109 69.475 36.562 5.484 1.00 25.00 H new ATOM 0 HH22 ARG A 109 68.956 37.033 7.105 1.00 25.00 H new ATOM 480 N ARG A 110 73.848 32.882 5.975 1.00 25.00 N ATOM 481 CA ARG A 110 74.984 33.354 6.788 1.00 25.00 C ATOM 482 C ARG A 110 74.499 33.778 8.181 1.00 25.00 C ATOM 483 O ARG A 110 75.284 34.054 9.074 1.00 25.00 O ATOM 484 CB ARG A 110 75.677 34.532 6.094 1.00 25.00 C ATOM 485 CG ARG A 110 77.145 34.693 6.485 1.00 25.00 C ATOM 486 CD ARG A 110 77.709 36.022 5.995 1.00 25.00 C ATOM 487 NE ARG A 110 79.170 36.101 6.186 1.00 25.00 N ATOM 488 CZ ARG A 110 79.784 36.421 7.321 1.00 25.00 C ATOM 489 NH1 ARG A 110 79.134 36.696 8.426 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 81.089 36.462 7.343 1.00 25.00 N ATOM 0 H ARG A 110 73.602 33.490 5.194 1.00 25.00 H new ATOM 0 HA ARG A 110 75.698 32.538 6.897 1.00 25.00 H new ATOM 0 HB2 ARG A 110 75.610 34.398 5.014 1.00 25.00 H new ATOM 0 HB3 ARG A 110 75.142 35.451 6.335 1.00 25.00 H new ATOM 0 HG2 ARG A 110 77.243 34.632 7.569 1.00 25.00 H new ATOM 0 HG3 ARG A 110 77.727 33.872 6.065 1.00 25.00 H new ATOM 0 HD2 ARG A 110 77.473 36.150 4.938 1.00 25.00 H new ATOM 0 HD3 ARG A 110 77.228 36.841 6.530 1.00 25.00 H new ATOM 0 HE ARG A 110 79.758 35.893 5.379 1.00 25.00 H new ATOM 0 HH11 ARG A 110 78.114 36.669 8.438 1.00 25.00 H new ATOM 0 HH12 ARG A 110 79.648 36.937 9.274 1.00 25.00 H new ATOM 0 HH21 ARG A 110 81.620 36.250 6.498 1.00 25.00 H new ATOM 0 HH22 ARG A 110 81.577 36.706 8.205 1.00 25.00 H new ATOM 504 N ASP A 111 73.185 33.827 8.315 1.00 25.00 N ATOM 505 CA ASP A 111 72.484 34.253 9.524 1.00 25.00 C ATOM 506 C ASP A 111 72.102 33.051 10.416 1.00 25.00 C ATOM 507 O ASP A 111 71.215 33.147 11.252 1.00 25.00 O ATOM 508 CB ASP A 111 71.226 34.977 9.049 1.00 25.00 C ATOM 509 CG ASP A 111 70.676 35.962 10.060 1.00 25.00 C ATOM 510 OD1 ASP A 111 71.436 36.444 10.922 1.00 25.00 O ATOM 511 OD2 ASP A 111 69.505 36.374 9.870 1.00 25.00 O1- ATOM 0 H ASP A 111 72.551 33.563 7.561 1.00 25.00 H new ATOM 0 HA ASP A 111 73.122 34.896 10.130 1.00 25.00 H new ATOM 0 HB2 ASP A 111 71.449 35.506 8.123 1.00 25.00 H new ATOM 0 HB3 ASP A 111 70.458 34.239 8.818 1.00 25.00 H new ATOM 516 N LEU A 112 72.748 31.910 10.168 1.00 25.00 N ATOM 517 CA LEU A 112 72.547 30.641 10.916 1.00 25.00 C ATOM 518 C LEU A 112 71.114 30.087 10.900 1.00 25.00 C ATOM 519 O LEU A 112 70.775 29.183 11.646 1.00 25.00 O ATOM 520 CB LEU A 112 73.033 30.776 12.371 1.00 25.00 C ATOM 521 CG LEU A 112 74.507 31.170 12.569 1.00 25.00 C ATOM 522 CD1 LEU A 112 74.774 31.388 14.058 1.00 25.00 C ATOM 523 CD2 LEU A 112 75.459 30.093 12.027 1.00 25.00 C ATOM 0 H LEU A 112 73.444 31.828 9.427 1.00 25.00 H new ATOM 0 HA LEU A 112 73.151 29.913 10.375 1.00 25.00 H new ATOM 0 HB2 LEU A 112 72.411 31.519 12.871 1.00 25.00 H new ATOM 0 HB3 LEU A 112 72.863 29.826 12.877 1.00 25.00 H new ATOM 0 HG LEU A 112 74.692 32.089 12.013 1.00 25.00 H new ATOM 0 HD11 LEU A 112 75.817 31.667 14.203 1.00 25.00 H new ATOM 0 HD12 LEU A 112 74.130 32.184 14.430 1.00 25.00 H new ATOM 0 HD13 LEU A 112 74.565 30.468 14.604 1.00 25.00 H new ATOM 0 HD21 LEU A 112 76.491 30.407 12.185 1.00 25.00 H new ATOM 0 HD22 LEU A 112 75.281 29.154 12.550 1.00 25.00 H new ATOM 0 HD23 LEU A 112 75.281 29.953 10.961 1.00 25.00 H new ATOM 535 N SER A 113 70.307 30.595 9.988 1.00 25.00 N ATOM 536 CA SER A 113 68.923 30.156 9.780 1.00 25.00 C ATOM 537 C SER A 113 68.841 28.929 8.872 1.00 25.00 C ATOM 538 O SER A 113 67.933 28.807 8.055 1.00 25.00 O ATOM 539 CB SER A 113 68.125 31.284 9.175 1.00 25.00 C ATOM 540 OG SER A 113 68.768 32.521 9.425 1.00 25.00 O ATOM 0 H SER A 113 70.593 31.340 9.353 1.00 25.00 H new ATOM 0 HA SER A 113 68.512 29.878 10.751 1.00 25.00 H new ATOM 0 HB2 SER A 113 68.019 31.130 8.101 1.00 25.00 H new ATOM 0 HB3 SER A 113 67.120 31.296 9.596 1.00 25.00 H new ATOM 0 HG SER A 113 68.120 33.158 9.793 1.00 25.00 H new ATOM 546 N GLU A 114 69.909 28.159 8.860 1.00 25.00 N ATOM 547 CA GLU A 114 70.115 27.121 7.858 1.00 25.00 C ATOM 548 C GLU A 114 69.192 25.916 8.068 1.00 25.00 C ATOM 549 O GLU A 114 68.729 25.644 9.175 1.00 25.00 O ATOM 550 CB GLU A 114 71.586 26.679 7.894 1.00 25.00 C ATOM 551 CG GLU A 114 72.048 26.020 9.201 1.00 25.00 C ATOM 552 CD GLU A 114 73.564 25.813 9.240 1.00 25.00 C ATOM 553 OE1 GLU A 114 74.199 25.824 8.160 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 74.129 25.707 10.348 1.00 25.00 O1- ATOM 0 H GLU A 114 70.663 28.231 9.543 1.00 25.00 H new ATOM 0 HA GLU A 114 69.869 27.538 6.881 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.757 25.980 7.075 1.00 25.00 H new ATOM 0 HB3 GLU A 114 72.213 27.550 7.706 1.00 25.00 H new ATOM 0 HG2 GLU A 114 71.746 26.640 10.045 1.00 25.00 H new ATOM 0 HG3 GLU A 114 71.549 25.058 9.317 1.00 25.00 H new ATOM 561 N VAL A 115 68.861 25.259 6.964 1.00 25.00 N ATOM 562 CA VAL A 115 67.859 24.197 6.944 1.00 25.00 C ATOM 563 C VAL A 115 68.252 23.203 5.855 1.00 25.00 C ATOM 564 O VAL A 115 68.987 23.549 4.928 1.00 25.00 O ATOM 565 CB VAL A 115 66.426 24.811 6.660 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.324 25.373 5.224 1.00 25.00 C ATOM 567 CG2 VAL A 115 65.302 23.790 6.917 1.00 25.00 C ATOM 0 H VAL A 115 69.280 25.447 6.053 1.00 25.00 H new ATOM 0 HA VAL A 115 67.816 23.689 7.908 1.00 25.00 H new ATOM 0 HB VAL A 115 66.296 25.636 7.360 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.328 25.786 5.065 1.00 25.00 H new ATOM 0 HG12 VAL A 115 67.068 26.158 5.087 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.504 24.573 4.506 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.337 24.252 6.710 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.438 22.927 6.265 1.00 25.00 H new ATOM 0 HG23 VAL A 115 65.334 23.467 7.958 1.00 25.00 H new ATOM 577 N THR A 116 67.756 21.980 5.944 1.00 25.00 N ATOM 578 CA THR A 116 67.992 20.982 4.911 1.00 25.00 C ATOM 579 C THR A 116 66.685 20.249 4.651 1.00 25.00 C ATOM 580 O THR A 116 65.832 20.150 5.535 1.00 25.00 O ATOM 581 CB THR A 116 69.138 20.010 5.305 1.00 25.00 C ATOM 582 OG1 THR A 116 69.442 19.144 4.208 1.00 25.00 O ATOM 583 CG2 THR A 116 68.782 19.154 6.515 1.00 25.00 C ATOM 0 H THR A 116 67.185 21.653 6.723 1.00 25.00 H new ATOM 0 HA THR A 116 68.321 21.471 3.994 1.00 25.00 H new ATOM 0 HB THR A 116 70.000 20.625 5.563 1.00 25.00 H new ATOM 0 HG1 THR A 116 69.284 19.617 3.364 1.00 25.00 H new ATOM 0 HG21 THR A 116 69.615 18.492 6.750 1.00 25.00 H new ATOM 0 HG22 THR A 116 68.579 19.799 7.370 1.00 25.00 H new ATOM 0 HG23 THR A 116 67.897 18.558 6.291 1.00 25.00 H new ATOM 591 N PHE A 117 66.514 19.798 3.419 1.00 25.00 N ATOM 592 CA PHE A 117 65.301 19.125 2.970 1.00 25.00 C ATOM 593 C PHE A 117 65.719 18.313 1.753 1.00 25.00 C ATOM 594 O PHE A 117 66.870 18.389 1.342 1.00 25.00 O ATOM 595 CB PHE A 117 64.210 20.148 2.616 1.00 25.00 C ATOM 596 CG PHE A 117 64.678 21.255 1.710 1.00 25.00 C ATOM 597 CD1 PHE A 117 64.669 21.089 0.312 1.00 25.00 C ATOM 598 CD2 PHE A 117 65.106 22.486 2.250 1.00 25.00 C ATOM 599 CE1 PHE A 117 65.084 22.139 -0.546 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.523 23.544 1.403 1.00 25.00 C ATOM 601 CZ PHE A 117 65.511 23.368 0.001 1.00 25.00 C ATOM 0 H PHE A 117 67.222 19.889 2.691 1.00 25.00 H new ATOM 0 HA PHE A 117 64.875 18.488 3.745 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.380 19.628 2.138 1.00 25.00 H new ATOM 0 HB3 PHE A 117 63.824 20.585 3.537 1.00 25.00 H new ATOM 0 HD1 PHE A 117 64.342 20.151 -0.112 1.00 25.00 H new ATOM 0 HD2 PHE A 117 65.116 22.624 3.321 1.00 25.00 H new ATOM 0 HE1 PHE A 117 65.073 21.998 -1.617 1.00 25.00 H new ATOM 0 HE2 PHE A 117 65.849 24.482 1.828 1.00 25.00 H new ATOM 0 HZ PHE A 117 65.827 24.170 -0.649 1.00 25.00 H new ATOM 611 N SER A 118 64.809 17.554 1.167 1.00 25.00 N ATOM 612 CA SER A 118 65.114 16.777 -0.031 1.00 25.00 C ATOM 613 C SER A 118 64.089 17.094 -1.105 1.00 25.00 C ATOM 614 O SER A 118 62.943 17.399 -0.789 1.00 25.00 O ATOM 615 CB SER A 118 65.089 15.285 0.289 1.00 25.00 C ATOM 616 OG SER A 118 63.817 14.909 0.798 1.00 25.00 O ATOM 0 H SER A 118 63.850 17.456 1.499 1.00 25.00 H new ATOM 0 HA SER A 118 66.110 17.039 -0.388 1.00 25.00 H new ATOM 0 HB2 SER A 118 65.313 14.710 -0.610 1.00 25.00 H new ATOM 0 HB3 SER A 118 65.864 15.050 1.019 1.00 25.00 H new ATOM 0 HG SER A 118 63.815 13.949 0.997 1.00 25.00 H new ATOM 622 N LEU A 119 64.498 17.009 -2.363 1.00 25.00 N ATOM 623 CA LEU A 119 63.618 17.294 -3.495 1.00 25.00 C ATOM 624 C LEU A 119 63.605 16.113 -4.445 1.00 25.00 C ATOM 625 O LEU A 119 64.620 15.439 -4.618 1.00 25.00 O ATOM 626 CB LEU A 119 64.104 18.525 -4.266 1.00 25.00 C ATOM 627 CG LEU A 119 64.082 19.880 -3.544 1.00 25.00 C ATOM 628 CD1 LEU A 119 64.680 20.916 -4.484 1.00 25.00 C ATOM 629 CD2 LEU A 119 62.669 20.301 -3.146 1.00 25.00 C ATOM 0 H LEU A 119 65.445 16.742 -2.631 1.00 25.00 H new ATOM 0 HA LEU A 119 62.618 17.481 -3.104 1.00 25.00 H new ATOM 0 HB2 LEU A 119 65.128 18.335 -4.589 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.497 18.616 -5.167 1.00 25.00 H new ATOM 0 HG LEU A 119 64.659 19.797 -2.623 1.00 25.00 H new ATOM 0 HD11 LEU A 119 64.678 21.892 -3.998 1.00 25.00 H new ATOM 0 HD12 LEU A 119 65.704 20.635 -4.731 1.00 25.00 H new ATOM 0 HD13 LEU A 119 64.087 20.964 -5.397 1.00 25.00 H new ATOM 0 HD21 LEU A 119 62.706 21.265 -2.639 1.00 25.00 H new ATOM 0 HD22 LEU A 119 62.049 20.384 -4.039 1.00 25.00 H new ATOM 0 HD23 LEU A 119 62.242 19.555 -2.476 1.00 25.00 H new ATOM 641 N GLN A 120 62.465 15.896 -5.083 1.00 25.00 N ATOM 642 CA GLN A 120 62.320 14.830 -6.073 1.00 25.00 C ATOM 643 C GLN A 120 62.364 15.461 -7.464 1.00 25.00 C ATOM 644 O GLN A 120 61.743 16.496 -7.712 1.00 25.00 O ATOM 645 CB GLN A 120 61.023 14.031 -5.852 1.00 25.00 C ATOM 646 CG GLN A 120 59.735 14.861 -5.840 1.00 25.00 C ATOM 647 CD GLN A 120 58.497 13.999 -5.720 1.00 25.00 C ATOM 648 OE1 GLN A 120 58.368 13.194 -4.813 1.00 25.00 O ATOM 649 NE2 GLN A 120 57.585 14.158 -6.644 1.00 25.00 N ATOM 0 H GLN A 120 61.619 16.446 -4.934 1.00 25.00 H new ATOM 0 HA GLN A 120 63.138 14.117 -5.970 1.00 25.00 H new ATOM 0 HB2 GLN A 120 60.942 13.277 -6.635 1.00 25.00 H new ATOM 0 HB3 GLN A 120 61.101 13.499 -4.904 1.00 25.00 H new ATOM 0 HG2 GLN A 120 59.767 15.565 -5.008 1.00 25.00 H new ATOM 0 HG3 GLN A 120 59.677 15.451 -6.755 1.00 25.00 H new ATOM 0 HE21 GLN A 120 57.727 14.841 -7.388 1.00 25.00 H new ATOM 0 HE22 GLN A 120 56.732 13.599 -6.620 1.00 25.00 H new ATOM 658 N VAL A 121 63.171 14.875 -8.331 1.00 25.00 N ATOM 659 CA VAL A 121 63.456 15.420 -9.660 1.00 25.00 C ATOM 660 C VAL A 121 63.568 14.256 -10.637 1.00 25.00 C ATOM 661 O VAL A 121 63.528 13.106 -10.221 1.00 25.00 O ATOM 662 CB VAL A 121 64.818 16.186 -9.648 1.00 25.00 C ATOM 663 CG1 VAL A 121 64.749 17.404 -8.733 1.00 25.00 C ATOM 664 CG2 VAL A 121 65.961 15.255 -9.176 1.00 25.00 C ATOM 0 H VAL A 121 63.655 13.998 -8.137 1.00 25.00 H new ATOM 0 HA VAL A 121 62.660 16.105 -9.951 1.00 25.00 H new ATOM 0 HB VAL A 121 65.020 16.518 -10.666 1.00 25.00 H new ATOM 0 HG11 VAL A 121 65.709 17.920 -8.742 1.00 25.00 H new ATOM 0 HG12 VAL A 121 63.970 18.080 -9.085 1.00 25.00 H new ATOM 0 HG13 VAL A 121 64.519 17.083 -7.717 1.00 25.00 H new ATOM 0 HG21 VAL A 121 66.902 15.806 -9.174 1.00 25.00 H new ATOM 0 HG22 VAL A 121 65.747 14.898 -8.168 1.00 25.00 H new ATOM 0 HG23 VAL A 121 66.040 14.404 -9.853 1.00 25.00 H new ATOM 674 N ASP A 122 63.789 14.543 -11.911 1.00 25.00 N ATOM 675 CA ASP A 122 64.093 13.499 -12.893 1.00 25.00 C ATOM 676 C ASP A 122 65.552 13.688 -13.320 1.00 25.00 C ATOM 677 O ASP A 122 66.186 14.684 -12.969 1.00 25.00 O ATOM 678 CB ASP A 122 63.147 13.574 -14.096 1.00 25.00 C ATOM 679 CG ASP A 122 62.890 12.200 -14.726 1.00 25.00 C ATOM 680 OD1 ASP A 122 63.844 11.382 -14.816 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 61.725 11.911 -15.066 1.00 25.00 O1- ATOM 0 H ASP A 122 63.765 15.488 -12.294 1.00 25.00 H new ATOM 0 HA ASP A 122 63.951 12.512 -12.454 1.00 25.00 H new ATOM 0 HB2 ASP A 122 62.198 14.009 -13.782 1.00 25.00 H new ATOM 0 HB3 ASP A 122 63.571 14.241 -14.847 1.00 25.00 H new ATOM 686 N ALA A 123 66.097 12.727 -14.045 1.00 25.00 N ATOM 687 CA ALA A 123 67.500 12.760 -14.458 1.00 25.00 C ATOM 688 C ALA A 123 67.826 13.938 -15.391 1.00 25.00 C ATOM 689 O ALA A 123 68.911 14.528 -15.316 1.00 25.00 O ATOM 690 CB ALA A 123 67.857 11.433 -15.138 1.00 25.00 C ATOM 0 H ALA A 123 65.588 11.903 -14.366 1.00 25.00 H new ATOM 0 HA ALA A 123 68.101 12.903 -13.560 1.00 25.00 H new ATOM 0 HB1 ALA A 123 68.902 11.452 -15.448 1.00 25.00 H new ATOM 0 HB2 ALA A 123 67.701 10.612 -14.438 1.00 25.00 H new ATOM 0 HB3 ALA A 123 67.222 11.290 -16.012 1.00 25.00 H new ATOM 696 N ASP A 124 66.906 14.254 -16.288 1.00 25.00 N ATOM 697 CA ASP A 124 67.118 15.299 -17.295 1.00 25.00 C ATOM 698 C ASP A 124 66.706 16.678 -16.788 1.00 25.00 C ATOM 699 O ASP A 124 66.832 17.672 -17.499 1.00 25.00 O ATOM 700 CB ASP A 124 66.326 14.975 -18.566 1.00 25.00 C ATOM 701 CG ASP A 124 64.825 15.138 -18.379 1.00 25.00 C ATOM 702 OD1 ASP A 124 64.303 14.701 -17.328 1.00 25.00 O ATOM 703 OD2 ASP A 124 64.164 15.663 -19.295 1.00 25.00 O1- ATOM 0 H ASP A 124 65.994 13.801 -16.345 1.00 25.00 H new ATOM 0 HA ASP A 124 68.186 15.322 -17.512 1.00 25.00 H new ATOM 0 HB2 ASP A 124 66.660 15.626 -19.374 1.00 25.00 H new ATOM 0 HB3 ASP A 124 66.541 13.951 -18.872 1.00 25.00 H new ATOM 708 N PHE A 125 66.230 16.735 -15.555 1.00 25.00 N ATOM 709 CA PHE A 125 65.758 17.981 -14.963 1.00 25.00 C ATOM 710 C PHE A 125 66.881 19.019 -14.905 1.00 25.00 C ATOM 711 O PHE A 125 67.992 18.736 -14.445 1.00 25.00 O ATOM 712 CB PHE A 125 65.235 17.686 -13.565 1.00 25.00 C ATOM 713 CG PHE A 125 64.251 18.687 -13.049 1.00 25.00 C ATOM 714 CD1 PHE A 125 62.965 18.777 -13.615 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.581 19.517 -11.964 1.00 25.00 C ATOM 716 CE1 PHE A 125 62.013 19.689 -13.102 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.634 20.423 -11.437 1.00 25.00 C ATOM 718 CZ PHE A 125 62.348 20.509 -12.006 1.00 25.00 C ATOM 0 H PHE A 125 66.159 15.926 -14.938 1.00 25.00 H new ATOM 0 HA PHE A 125 64.960 18.395 -15.579 1.00 25.00 H new ATOM 0 HB2 PHE A 125 64.767 16.702 -13.566 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.079 17.637 -12.877 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.703 18.143 -14.449 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.568 19.462 -11.529 1.00 25.00 H new ATOM 0 HE1 PHE A 125 61.032 19.757 -13.549 1.00 25.00 H new ATOM 0 HE2 PHE A 125 63.896 21.050 -10.598 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.622 21.200 -11.604 1.00 25.00 H new ATOM 728 N GLU A 126 66.587 20.206 -15.409 1.00 25.00 N ATOM 729 CA GLU A 126 67.569 21.291 -15.516 1.00 25.00 C ATOM 730 C GLU A 126 67.966 21.843 -14.162 1.00 25.00 C ATOM 731 O GLU A 126 67.147 21.915 -13.250 1.00 25.00 O ATOM 732 CB GLU A 126 66.984 22.463 -16.296 1.00 25.00 C ATOM 733 CG GLU A 126 66.683 22.187 -17.752 1.00 25.00 C ATOM 734 CD GLU A 126 66.146 23.432 -18.447 1.00 25.00 C ATOM 735 OE1 GLU A 126 65.830 24.415 -17.735 1.00 25.00 O ATOM 736 OE2 GLU A 126 66.027 23.430 -19.687 1.00 25.00 O1- ATOM 0 H GLU A 126 65.661 20.453 -15.758 1.00 25.00 H new ATOM 0 HA GLU A 126 68.437 20.859 -16.015 1.00 25.00 H new ATOM 0 HB2 GLU A 126 66.064 22.780 -15.806 1.00 25.00 H new ATOM 0 HB3 GLU A 126 67.680 23.300 -16.239 1.00 25.00 H new ATOM 0 HG2 GLU A 126 67.588 21.848 -18.256 1.00 25.00 H new ATOM 0 HG3 GLU A 126 65.954 21.381 -17.829 1.00 25.00 H new ATOM 743 N LEU A 127 69.190 22.339 -14.060 1.00 25.00 N ATOM 744 CA LEU A 127 69.637 22.990 -12.834 1.00 25.00 C ATOM 745 C LEU A 127 68.902 24.297 -12.613 1.00 25.00 C ATOM 746 O LEU A 127 68.693 24.708 -11.476 1.00 25.00 O ATOM 747 CB LEU A 127 71.140 23.271 -12.873 1.00 25.00 C ATOM 748 CG LEU A 127 72.026 22.345 -12.036 1.00 25.00 C ATOM 749 CD1 LEU A 127 71.648 22.399 -10.547 1.00 25.00 C ATOM 750 CD2 LEU A 127 71.940 20.927 -12.546 1.00 25.00 C ATOM 0 H LEU A 127 69.888 22.305 -14.803 1.00 25.00 H new ATOM 0 HA LEU A 127 69.419 22.307 -12.013 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.471 23.216 -13.910 1.00 25.00 H new ATOM 0 HB3 LEU A 127 71.305 24.296 -12.540 1.00 25.00 H new ATOM 0 HG LEU A 127 73.054 22.694 -12.134 1.00 25.00 H new ATOM 0 HD11 LEU A 127 72.297 21.730 -9.982 1.00 25.00 H new ATOM 0 HD12 LEU A 127 71.768 23.418 -10.178 1.00 25.00 H new ATOM 0 HD13 LEU A 127 70.611 22.088 -10.423 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.576 20.283 -11.939 1.00 25.00 H new ATOM 0 HD22 LEU A 127 70.908 20.580 -12.485 1.00 25.00 H new ATOM 0 HD23 LEU A 127 72.273 20.893 -13.583 1.00 25.00 H new ATOM 762 N HIS A 128 68.489 24.939 -13.694 1.00 25.00 N ATOM 763 CA HIS A 128 67.727 26.177 -13.598 1.00 25.00 C ATOM 764 C HIS A 128 66.418 25.909 -12.867 1.00 25.00 C ATOM 765 O HIS A 128 66.064 26.601 -11.914 1.00 25.00 O ATOM 766 CB HIS A 128 67.437 26.728 -14.996 1.00 25.00 C ATOM 767 CG HIS A 128 66.793 28.077 -14.982 1.00 25.00 C ATOM 768 ND1 HIS A 128 65.439 28.291 -14.910 1.00 25.00 N ATOM 769 CD2 HIS A 128 67.345 29.322 -15.031 1.00 25.00 C ATOM 770 CE1 HIS A 128 65.225 29.604 -14.906 1.00 25.00 C ATOM 771 NE2 HIS A 128 66.353 30.282 -14.973 1.00 25.00 N ATOM 0 H HIS A 128 68.668 24.625 -14.648 1.00 25.00 H new ATOM 0 HA HIS A 128 68.309 26.914 -13.045 1.00 25.00 H new ATOM 0 HB2 HIS A 128 68.370 26.785 -15.556 1.00 25.00 H new ATOM 0 HB3 HIS A 128 66.789 26.030 -15.526 1.00 25.00 H new ATOM 0 HD2 HIS A 128 68.403 29.528 -15.104 1.00 25.00 H new ATOM 0 HE1 HIS A 128 64.247 30.059 -14.854 1.00 25.00 H new ATOM 0 HE2 HIS A 128 66.469 31.295 -14.980 1.00 25.00 H new ATOM 779 N ASN A 129 65.725 24.862 -13.282 1.00 25.00 N ATOM 780 CA ASN A 129 64.459 24.502 -12.657 1.00 25.00 C ATOM 781 C ASN A 129 64.693 23.886 -11.283 1.00 25.00 C ATOM 782 O ASN A 129 63.882 24.043 -10.383 1.00 25.00 O ATOM 783 CB ASN A 129 63.683 23.545 -13.561 1.00 25.00 C ATOM 784 CG ASN A 129 63.256 24.203 -14.849 1.00 25.00 C ATOM 785 OD1 ASN A 129 62.911 25.376 -14.866 1.00 25.00 O ATOM 786 ND2 ASN A 129 63.304 23.474 -15.927 1.00 25.00 N ATOM 0 H ASN A 129 66.013 24.248 -14.044 1.00 25.00 H new ATOM 0 HA ASN A 129 63.865 25.406 -12.520 1.00 25.00 H new ATOM 0 HB2 ASN A 129 64.302 22.677 -13.786 1.00 25.00 H new ATOM 0 HB3 ASN A 129 62.803 23.180 -13.032 1.00 25.00 H new ATOM 0 HD21 ASN A 129 63.048 23.878 -16.828 1.00 25.00 H new ATOM 0 HD22 ASN A 129 63.597 22.499 -15.870 1.00 25.00 H new ATOM 793 N PHE A 130 65.823 23.220 -11.103 1.00 25.00 N ATOM 794 CA PHE A 130 66.157 22.637 -9.808 1.00 25.00 C ATOM 795 C PHE A 130 66.348 23.716 -8.763 1.00 25.00 C ATOM 796 O PHE A 130 65.791 23.636 -7.672 1.00 25.00 O ATOM 797 CB PHE A 130 67.433 21.813 -9.896 1.00 25.00 C ATOM 798 CG PHE A 130 67.816 21.174 -8.597 1.00 25.00 C ATOM 799 CD1 PHE A 130 66.983 20.208 -8.016 1.00 25.00 C ATOM 800 CD2 PHE A 130 69.005 21.537 -7.939 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.340 19.578 -6.800 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.371 20.920 -6.720 1.00 25.00 C ATOM 803 CZ PHE A 130 68.539 19.931 -6.155 1.00 25.00 C ATOM 0 H PHE A 130 66.522 23.069 -11.831 1.00 25.00 H new ATOM 0 HA PHE A 130 65.326 21.993 -9.520 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.305 21.037 -10.651 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.248 22.453 -10.232 1.00 25.00 H new ATOM 0 HD1 PHE A 130 66.057 19.941 -8.503 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.644 22.294 -8.369 1.00 25.00 H new ATOM 0 HE1 PHE A 130 66.693 18.828 -6.368 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.286 21.206 -6.223 1.00 25.00 H new ATOM 0 HZ PHE A 130 68.821 19.447 -5.232 1.00 25.00 H new ATOM 813 N ARG A 131 67.115 24.748 -9.090 1.00 25.00 N ATOM 814 CA ARG A 131 67.325 25.822 -8.131 1.00 25.00 C ATOM 815 C ARG A 131 66.037 26.601 -7.930 1.00 25.00 C ATOM 816 O ARG A 131 65.813 27.111 -6.860 1.00 25.00 O ATOM 817 CB ARG A 131 68.491 26.746 -8.508 1.00 25.00 C ATOM 818 CG ARG A 131 68.241 27.712 -9.675 1.00 25.00 C ATOM 819 CD ARG A 131 69.261 28.850 -9.657 1.00 25.00 C ATOM 820 NE ARG A 131 69.103 29.668 -8.439 1.00 25.00 N ATOM 821 CZ ARG A 131 69.905 30.646 -8.044 1.00 25.00 C ATOM 822 NH1 ARG A 131 70.952 31.032 -8.729 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 69.639 31.242 -6.929 1.00 25.00 N ATOM 0 H ARG A 131 67.589 24.863 -9.986 1.00 25.00 H new ATOM 0 HA ARG A 131 67.610 25.361 -7.185 1.00 25.00 H new ATOM 0 HB2 ARG A 131 68.761 27.332 -7.630 1.00 25.00 H new ATOM 0 HB3 ARG A 131 69.353 26.126 -8.755 1.00 25.00 H new ATOM 0 HG2 ARG A 131 68.305 27.173 -10.620 1.00 25.00 H new ATOM 0 HG3 ARG A 131 67.232 28.119 -9.608 1.00 25.00 H new ATOM 0 HD2 ARG A 131 70.271 28.442 -9.699 1.00 25.00 H new ATOM 0 HD3 ARG A 131 69.133 29.475 -10.541 1.00 25.00 H new ATOM 0 HE ARG A 131 68.300 29.461 -7.845 1.00 25.00 H new ATOM 0 HH11 ARG A 131 71.182 30.574 -9.611 1.00 25.00 H new ATOM 0 HH12 ARG A 131 71.538 31.791 -8.381 1.00 25.00 H new ATOM 0 HH21 ARG A 131 68.829 30.956 -6.378 1.00 25.00 H new ATOM 0 HH22 ARG A 131 70.239 31.998 -6.599 1.00 25.00 H new ATOM 837 N ALA A 132 65.167 26.641 -8.933 1.00 25.00 N ATOM 838 CA ALA A 132 63.876 27.305 -8.779 1.00 25.00 C ATOM 839 C ALA A 132 63.018 26.548 -7.755 1.00 25.00 C ATOM 840 O ALA A 132 62.384 27.162 -6.903 1.00 25.00 O ATOM 841 CB ALA A 132 63.156 27.396 -10.132 1.00 25.00 C ATOM 0 H ALA A 132 65.328 26.227 -9.851 1.00 25.00 H new ATOM 0 HA ALA A 132 64.040 28.319 -8.414 1.00 25.00 H new ATOM 0 HB1 ALA A 132 62.195 27.894 -10.000 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.767 27.966 -10.832 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.994 26.393 -10.526 1.00 25.00 H new ATOM 847 N LEU A 133 63.034 25.221 -7.815 1.00 25.00 N ATOM 848 CA LEU A 133 62.301 24.401 -6.845 1.00 25.00 C ATOM 849 C LEU A 133 62.907 24.596 -5.461 1.00 25.00 C ATOM 850 O LEU A 133 62.199 24.726 -4.476 1.00 25.00 O ATOM 851 CB LEU A 133 62.380 22.917 -7.224 1.00 25.00 C ATOM 852 CG LEU A 133 61.140 22.305 -7.897 1.00 25.00 C ATOM 853 CD1 LEU A 133 60.819 22.959 -9.244 1.00 25.00 C ATOM 854 CD2 LEU A 133 61.373 20.805 -8.095 1.00 25.00 C ATOM 0 H LEU A 133 63.543 24.688 -8.520 1.00 25.00 H new ATOM 0 HA LEU A 133 61.256 24.710 -6.845 1.00 25.00 H new ATOM 0 HB2 LEU A 133 63.230 22.782 -7.892 1.00 25.00 H new ATOM 0 HB3 LEU A 133 62.592 22.346 -6.320 1.00 25.00 H new ATOM 0 HG LEU A 133 60.285 22.482 -7.245 1.00 25.00 H new ATOM 0 HD11 LEU A 133 59.935 22.489 -9.675 1.00 25.00 H new ATOM 0 HD12 LEU A 133 60.629 24.022 -9.096 1.00 25.00 H new ATOM 0 HD13 LEU A 133 61.664 22.832 -9.921 1.00 25.00 H new ATOM 0 HD21 LEU A 133 60.499 20.361 -8.572 1.00 25.00 H new ATOM 0 HD22 LEU A 133 62.248 20.653 -8.727 1.00 25.00 H new ATOM 0 HD23 LEU A 133 61.538 20.332 -7.127 1.00 25.00 H new ATOM 866 N CYS A 134 64.228 24.649 -5.409 1.00 25.00 N ATOM 867 CA CYS A 134 64.943 24.869 -4.156 1.00 25.00 C ATOM 868 C CYS A 134 64.587 26.224 -3.551 1.00 25.00 C ATOM 869 O CYS A 134 64.333 26.330 -2.359 1.00 25.00 O ATOM 870 CB CYS A 134 66.447 24.808 -4.417 1.00 25.00 C ATOM 871 SG CYS A 134 67.430 25.107 -2.950 1.00 25.00 S ATOM 0 H CYS A 134 64.833 24.542 -6.224 1.00 25.00 H new ATOM 0 HA CYS A 134 64.652 24.091 -3.450 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.699 23.828 -4.822 1.00 25.00 H new ATOM 0 HB3 CYS A 134 66.707 25.544 -5.177 1.00 25.00 H new ATOM 0 HG CYS A 134 68.691 25.121 -3.268 1.00 25.00 H new ATOM 877 N GLU A 135 64.558 27.258 -4.377 1.00 25.00 N ATOM 878 CA GLU A 135 64.236 28.598 -3.907 1.00 25.00 C ATOM 879 C GLU A 135 62.810 28.676 -3.402 1.00 25.00 C ATOM 880 O GLU A 135 62.530 29.387 -2.442 1.00 25.00 O ATOM 881 CB GLU A 135 64.404 29.616 -5.033 1.00 25.00 C ATOM 882 CG GLU A 135 65.483 30.621 -4.752 1.00 25.00 C ATOM 883 CD GLU A 135 66.870 30.174 -5.218 1.00 25.00 C ATOM 884 OE1 GLU A 135 67.069 29.985 -6.442 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 67.800 30.142 -4.384 1.00 25.00 O1- ATOM 0 H GLU A 135 64.753 27.196 -5.376 1.00 25.00 H new ATOM 0 HA GLU A 135 64.922 28.825 -3.091 1.00 25.00 H new ATOM 0 HB2 GLU A 135 64.635 29.091 -5.960 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.460 30.138 -5.189 1.00 25.00 H new ATOM 0 HG2 GLU A 135 65.229 31.561 -5.242 1.00 25.00 H new ATOM 0 HG3 GLU A 135 65.515 30.818 -3.680 1.00 25.00 H new ATOM 892 N LEU A 136 61.911 27.948 -4.048 1.00 25.00 N ATOM 893 CA LEU A 136 60.507 27.927 -3.651 1.00 25.00 C ATOM 894 C LEU A 136 60.345 27.224 -2.306 1.00 25.00 C ATOM 895 O LEU A 136 59.630 27.703 -1.433 1.00 25.00 O ATOM 896 CB LEU A 136 59.679 27.203 -4.721 1.00 25.00 C ATOM 897 CG LEU A 136 58.160 27.135 -4.494 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.520 28.529 -4.497 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.529 26.275 -5.589 1.00 25.00 C ATOM 0 H LEU A 136 62.128 27.361 -4.853 1.00 25.00 H new ATOM 0 HA LEU A 136 60.153 28.953 -3.552 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.858 27.693 -5.678 1.00 25.00 H new ATOM 0 HB3 LEU A 136 60.055 26.184 -4.810 1.00 25.00 H new ATOM 0 HG LEU A 136 57.981 26.693 -3.514 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.446 28.437 -4.334 1.00 25.00 H new ATOM 0 HD12 LEU A 136 57.958 29.132 -3.701 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.701 29.010 -5.458 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.451 26.222 -5.434 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.735 26.718 -6.563 1.00 25.00 H new ATOM 0 HD23 LEU A 136 57.951 25.271 -5.551 1.00 25.00 H new ATOM 911 N GLU A 137 61.021 26.095 -2.149 1.00 25.00 N ATOM 912 CA GLU A 137 60.944 25.306 -0.919 1.00 25.00 C ATOM 913 C GLU A 137 61.600 26.051 0.249 1.00 25.00 C ATOM 914 O GLU A 137 61.100 26.048 1.369 1.00 25.00 O ATOM 915 CB GLU A 137 61.651 23.960 -1.137 1.00 25.00 C ATOM 916 CG GLU A 137 61.215 22.856 -0.179 1.00 25.00 C ATOM 917 CD GLU A 137 59.847 22.278 -0.543 1.00 25.00 C ATOM 918 OE1 GLU A 137 59.704 21.742 -1.665 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 58.923 22.347 0.296 1.00 25.00 O1- ATOM 0 H GLU A 137 61.634 25.699 -2.861 1.00 25.00 H new ATOM 0 HA GLU A 137 59.895 25.140 -0.673 1.00 25.00 H new ATOM 0 HB2 GLU A 137 61.469 23.629 -2.160 1.00 25.00 H new ATOM 0 HB3 GLU A 137 62.726 24.108 -1.036 1.00 25.00 H new ATOM 0 HG2 GLU A 137 61.957 22.058 -0.186 1.00 25.00 H new ATOM 0 HG3 GLU A 137 61.181 23.251 0.836 1.00 25.00 H new ATOM 926 N SER A 138 62.727 26.698 -0.022 1.00 25.00 N ATOM 927 CA SER A 138 63.459 27.426 1.013 1.00 25.00 C ATOM 928 C SER A 138 62.841 28.795 1.310 1.00 25.00 C ATOM 929 O SER A 138 62.992 29.311 2.418 1.00 25.00 O ATOM 930 CB SER A 138 64.920 27.603 0.602 1.00 25.00 C ATOM 931 OG SER A 138 65.667 28.196 1.655 1.00 25.00 O ATOM 0 H SER A 138 63.155 26.735 -0.947 1.00 25.00 H new ATOM 0 HA SER A 138 63.399 26.830 1.924 1.00 25.00 H new ATOM 0 HB2 SER A 138 65.350 26.636 0.343 1.00 25.00 H new ATOM 0 HB3 SER A 138 64.980 28.227 -0.290 1.00 25.00 H new ATOM 0 HG SER A 138 66.600 28.301 1.375 1.00 25.00 H new ATOM 937 N GLY A 139 62.164 29.391 0.334 1.00 25.00 N ATOM 938 CA GLY A 139 61.481 30.659 0.558 1.00 25.00 C ATOM 939 C GLY A 139 62.416 31.853 0.544 1.00 25.00 C ATOM 940 O GLY A 139 62.223 32.815 1.287 1.00 25.00 O ATOM 0 H GLY A 139 62.074 29.020 -0.612 1.00 25.00 H new ATOM 0 HA2 GLY A 139 60.719 30.794 -0.209 1.00 25.00 H new ATOM 0 HA3 GLY A 139 60.965 30.621 1.517 1.00 25.00 H new ATOM 944 N ILE A 140 63.461 31.780 -0.269 1.00 25.00 N ATOM 945 CA ILE A 140 64.506 32.809 -0.283 1.00 25.00 C ATOM 946 C ILE A 140 64.663 33.487 -1.653 1.00 25.00 C ATOM 947 O ILE A 140 64.326 32.910 -2.683 1.00 25.00 O ATOM 948 CB ILE A 140 65.872 32.187 0.145 1.00 25.00 C ATOM 949 CG1 ILE A 140 66.269 31.061 -0.833 1.00 25.00 C ATOM 950 CG2 ILE A 140 65.777 31.668 1.605 1.00 25.00 C ATOM 951 CD1 ILE A 140 67.619 30.444 -0.583 1.00 25.00 C ATOM 0 H ILE A 140 63.613 31.019 -0.931 1.00 25.00 H new ATOM 0 HA ILE A 140 64.197 33.577 0.426 1.00 25.00 H new ATOM 0 HB ILE A 140 66.650 32.949 0.108 1.00 25.00 H new ATOM 0 HG12 ILE A 140 65.514 30.276 -0.785 1.00 25.00 H new ATOM 0 HG13 ILE A 140 66.251 31.459 -1.848 1.00 25.00 H new ATOM 0 HG21 ILE A 140 66.733 31.235 1.900 1.00 25.00 H new ATOM 0 HG22 ILE A 140 65.533 32.496 2.270 1.00 25.00 H new ATOM 0 HG23 ILE A 140 64.998 30.908 1.671 1.00 25.00 H new ATOM 0 HD11 ILE A 140 67.805 29.664 -1.322 1.00 25.00 H new ATOM 0 HD12 ILE A 140 68.390 31.211 -0.662 1.00 25.00 H new ATOM 0 HD13 ILE A 140 67.641 30.010 0.416 1.00 25.00 H new ATOM 963 N PRO A 141 65.166 34.740 -1.682 1.00 25.00 N ATOM 964 CA PRO A 141 65.367 35.347 -3.004 1.00 25.00 C ATOM 965 C PRO A 141 66.510 34.688 -3.776 1.00 25.00 C ATOM 966 O PRO A 141 67.600 34.500 -3.236 1.00 25.00 O ATOM 967 CB PRO A 141 65.743 36.800 -2.668 1.00 25.00 C ATOM 968 CG PRO A 141 65.317 36.996 -1.247 1.00 25.00 C ATOM 969 CD PRO A 141 65.569 35.671 -0.612 1.00 25.00 C ATOM 0 HA PRO A 141 64.485 35.244 -3.637 1.00 25.00 H new ATOM 0 HB2 PRO A 141 66.814 36.967 -2.785 1.00 25.00 H new ATOM 0 HB3 PRO A 141 65.237 37.501 -3.331 1.00 25.00 H new ATOM 0 HG2 PRO A 141 65.891 37.787 -0.763 1.00 25.00 H new ATOM 0 HG3 PRO A 141 64.266 37.278 -1.180 1.00 25.00 H new ATOM 0 HD2 PRO A 141 66.615 35.544 -0.333 1.00 25.00 H new ATOM 0 HD3 PRO A 141 64.978 35.533 0.294 1.00 25.00 H new ATOM 977 N ALA A 142 66.281 34.397 -5.050 1.00 25.00 N ATOM 978 CA ALA A 142 67.298 33.772 -5.902 1.00 25.00 C ATOM 979 C ALA A 142 68.529 34.668 -6.114 1.00 25.00 C ATOM 980 O ALA A 142 69.628 34.187 -6.371 1.00 25.00 O ATOM 981 CB ALA A 142 66.674 33.414 -7.262 1.00 25.00 C ATOM 0 H ALA A 142 65.397 34.583 -5.523 1.00 25.00 H new ATOM 0 HA ALA A 142 67.643 32.873 -5.391 1.00 25.00 H new ATOM 0 HB1 ALA A 142 67.428 32.949 -7.897 1.00 25.00 H new ATOM 0 HB2 ALA A 142 65.848 32.719 -7.112 1.00 25.00 H new ATOM 0 HB3 ALA A 142 66.303 34.320 -7.742 1.00 25.00 H new ATOM 987 N ALA A 143 68.326 35.975 -6.025 1.00 25.00 N ATOM 988 CA ALA A 143 69.405 36.936 -6.242 1.00 25.00 C ATOM 989 C ALA A 143 70.452 36.875 -5.123 1.00 25.00 C ATOM 990 O ALA A 143 71.613 37.204 -5.331 1.00 25.00 O ATOM 991 CB ALA A 143 68.818 38.353 -6.329 1.00 25.00 C ATOM 0 H ALA A 143 67.424 36.397 -5.804 1.00 25.00 H new ATOM 0 HA ALA A 143 69.903 36.680 -7.177 1.00 25.00 H new ATOM 0 HB1 ALA A 143 69.622 39.071 -6.491 1.00 25.00 H new ATOM 0 HB2 ALA A 143 68.113 38.405 -7.159 1.00 25.00 H new ATOM 0 HB3 ALA A 143 68.301 38.591 -5.399 1.00 25.00 H new ATOM 997 N GLU A 144 70.023 36.465 -3.939 1.00 25.00 N ATOM 998 CA GLU A 144 70.885 36.479 -2.758 1.00 25.00 C ATOM 999 C GLU A 144 71.518 35.116 -2.500 1.00 25.00 C ATOM 1000 O GLU A 144 72.147 34.902 -1.453 1.00 25.00 O ATOM 1001 CB GLU A 144 70.062 36.886 -1.528 1.00 25.00 C ATOM 1002 CG GLU A 144 69.365 38.237 -1.663 1.00 25.00 C ATOM 1003 CD GLU A 144 70.335 39.367 -1.968 1.00 25.00 C ATOM 1004 OE1 GLU A 144 71.331 39.521 -1.228 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 70.092 40.106 -2.945 1.00 25.00 O1- ATOM 0 H GLU A 144 69.080 36.117 -3.766 1.00 25.00 H new ATOM 0 HA GLU A 144 71.684 37.197 -2.941 1.00 25.00 H new ATOM 0 HB2 GLU A 144 69.311 36.119 -1.337 1.00 25.00 H new ATOM 0 HB3 GLU A 144 70.718 36.913 -0.658 1.00 25.00 H new ATOM 0 HG2 GLU A 144 68.619 38.179 -2.456 1.00 25.00 H new ATOM 0 HG3 GLU A 144 68.831 38.460 -0.739 1.00 25.00 H new ATOM 1012 N SER A 145 71.320 34.179 -3.416 1.00 25.00 N ATOM 1013 CA SER A 145 71.775 32.808 -3.213 1.00 25.00 C ATOM 1014 C SER A 145 72.628 32.250 -4.349 1.00 25.00 C ATOM 1015 O SER A 145 72.493 32.621 -5.518 1.00 25.00 O ATOM 1016 CB SER A 145 70.561 31.908 -3.000 1.00 25.00 C ATOM 1017 OG SER A 145 69.695 31.987 -4.110 1.00 25.00 O ATOM 0 H SER A 145 70.848 34.341 -4.306 1.00 25.00 H new ATOM 0 HA SER A 145 72.422 32.826 -2.336 1.00 25.00 H new ATOM 0 HB2 SER A 145 70.884 30.877 -2.855 1.00 25.00 H new ATOM 0 HB3 SER A 145 70.032 32.207 -2.095 1.00 25.00 H new ATOM 0 HG SER A 145 69.244 31.126 -4.235 1.00 25.00 H new ATOM 1023 N GLN A 146 73.513 31.335 -3.979 1.00 25.00 N ATOM 1024 CA GLN A 146 74.392 30.640 -4.916 1.00 25.00 C ATOM 1025 C GLN A 146 74.331 29.160 -4.586 1.00 25.00 C ATOM 1026 O GLN A 146 74.359 28.780 -3.417 1.00 25.00 O ATOM 1027 CB GLN A 146 75.831 31.145 -4.780 1.00 25.00 C ATOM 1028 CG GLN A 146 76.049 32.516 -5.403 1.00 25.00 C ATOM 1029 CD GLN A 146 75.885 32.484 -6.908 1.00 25.00 C ATOM 1030 OE1 GLN A 146 76.633 31.817 -7.606 1.00 25.00 O ATOM 1031 NE2 GLN A 146 74.901 33.178 -7.409 1.00 25.00 N ATOM 0 H GLN A 146 73.644 31.049 -3.009 1.00 25.00 H new ATOM 0 HA GLN A 146 74.070 30.823 -5.941 1.00 25.00 H new ATOM 0 HB2 GLN A 146 76.095 31.187 -3.723 1.00 25.00 H new ATOM 0 HB3 GLN A 146 76.506 30.429 -5.249 1.00 25.00 H new ATOM 0 HG2 GLN A 146 75.341 33.226 -4.976 1.00 25.00 H new ATOM 0 HG3 GLN A 146 77.048 32.873 -5.154 1.00 25.00 H new ATOM 0 HE21 GLN A 146 74.297 33.723 -6.794 1.00 25.00 H new ATOM 0 HE22 GLN A 146 74.736 33.175 -8.416 1.00 25.00 H new ATOM 1040 N ILE A 147 74.216 28.338 -5.617 1.00 25.00 N ATOM 1041 CA ILE A 147 74.038 26.897 -5.451 1.00 25.00 C ATOM 1042 C ILE A 147 75.321 26.162 -5.893 1.00 25.00 C ATOM 1043 O ILE A 147 75.922 26.488 -6.927 1.00 25.00 O ATOM 1044 CB ILE A 147 72.740 26.444 -6.208 1.00 25.00 C ATOM 1045 CG1 ILE A 147 72.366 25.012 -5.799 1.00 25.00 C ATOM 1046 CG2 ILE A 147 72.883 26.622 -7.746 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.048 24.496 -6.405 1.00 25.00 C ATOM 0 H ILE A 147 74.243 28.645 -6.589 1.00 25.00 H new ATOM 0 HA ILE A 147 73.888 26.635 -4.404 1.00 25.00 H new ATOM 0 HB ILE A 147 71.914 27.092 -5.914 1.00 25.00 H new ATOM 0 HG12 ILE A 147 73.173 24.341 -6.094 1.00 25.00 H new ATOM 0 HG13 ILE A 147 72.294 24.966 -4.712 1.00 25.00 H new ATOM 0 HG21 ILE A 147 71.965 26.298 -8.237 1.00 25.00 H new ATOM 0 HG22 ILE A 147 73.066 27.672 -7.975 1.00 25.00 H new ATOM 0 HG23 ILE A 147 73.718 26.021 -8.106 1.00 25.00 H new ATOM 0 HD11 ILE A 147 70.864 23.478 -6.062 1.00 25.00 H new ATOM 0 HD12 ILE A 147 70.226 25.139 -6.090 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.119 24.505 -7.493 1.00 25.00 H new ATOM 1059 N VAL A 148 75.793 25.256 -5.044 1.00 25.00 N ATOM 1060 CA VAL A 148 77.105 24.615 -5.196 1.00 25.00 C ATOM 1061 C VAL A 148 77.012 23.091 -5.036 1.00 25.00 C ATOM 1062 O VAL A 148 76.371 22.588 -4.116 1.00 25.00 O ATOM 1063 CB VAL A 148 78.085 25.176 -4.096 1.00 25.00 C ATOM 1064 CG1 VAL A 148 79.486 24.556 -4.207 1.00 25.00 C ATOM 1065 CG2 VAL A 148 78.200 26.709 -4.209 1.00 25.00 C ATOM 0 H VAL A 148 75.276 24.940 -4.223 1.00 25.00 H new ATOM 0 HA VAL A 148 77.473 24.837 -6.198 1.00 25.00 H new ATOM 0 HB VAL A 148 77.666 24.906 -3.127 1.00 25.00 H new ATOM 0 HG11 VAL A 148 80.130 24.970 -3.431 1.00 25.00 H new ATOM 0 HG12 VAL A 148 79.417 23.475 -4.083 1.00 25.00 H new ATOM 0 HG13 VAL A 148 79.907 24.782 -5.186 1.00 25.00 H new ATOM 0 HG21 VAL A 148 78.880 27.080 -3.442 1.00 25.00 H new ATOM 0 HG22 VAL A 148 78.584 26.973 -5.194 1.00 25.00 H new ATOM 0 HG23 VAL A 148 77.217 27.159 -4.070 1.00 25.00 H new ATOM 1075 N TYR A 149 77.696 22.365 -5.905 1.00 25.00 N ATOM 1076 CA TYR A 149 77.775 20.905 -5.820 1.00 25.00 C ATOM 1077 C TYR A 149 79.233 20.491 -5.923 1.00 25.00 C ATOM 1078 O TYR A 149 79.963 21.028 -6.750 1.00 25.00 O ATOM 1079 CB TYR A 149 76.993 20.270 -6.962 1.00 25.00 C ATOM 1080 CG TYR A 149 77.264 18.796 -7.118 1.00 25.00 C ATOM 1081 CD1 TYR A 149 76.828 17.875 -6.145 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.973 18.307 -8.236 1.00 25.00 C ATOM 1083 CE1 TYR A 149 77.084 16.490 -6.294 1.00 25.00 C ATOM 1084 CE2 TYR A 149 78.229 16.918 -8.384 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.776 16.024 -7.414 1.00 25.00 C ATOM 1086 OH TYR A 149 78.007 14.683 -7.571 1.00 25.00 O ATOM 0 H TYR A 149 78.213 22.764 -6.689 1.00 25.00 H new ATOM 0 HA TYR A 149 77.351 20.573 -4.873 1.00 25.00 H new ATOM 0 HB2 TYR A 149 75.927 20.421 -6.792 1.00 25.00 H new ATOM 0 HB3 TYR A 149 77.243 20.780 -7.893 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.293 18.229 -5.276 1.00 25.00 H new ATOM 0 HD2 TYR A 149 78.325 18.997 -8.988 1.00 25.00 H new ATOM 0 HE1 TYR A 149 76.744 15.794 -5.541 1.00 25.00 H new ATOM 0 HE2 TYR A 149 78.772 16.555 -9.244 1.00 25.00 H new ATOM 0 HH TYR A 149 77.266 14.175 -7.179 1.00 25.00 H new ATOM 1096 N ALA A 150 79.653 19.567 -5.062 1.00 25.00 N ATOM 1097 CA ALA A 150 81.031 19.053 -5.038 1.00 25.00 C ATOM 1098 C ALA A 150 82.080 20.183 -5.061 1.00 25.00 C ATOM 1099 O ALA A 150 83.067 20.105 -5.778 1.00 25.00 O ATOM 1100 CB ALA A 150 81.246 18.079 -6.216 1.00 25.00 C ATOM 0 H ALA A 150 79.048 19.148 -4.356 1.00 25.00 H new ATOM 0 HA ALA A 150 81.170 18.519 -4.098 1.00 25.00 H new ATOM 0 HB1 ALA A 150 82.268 17.701 -6.194 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.549 17.245 -6.131 1.00 25.00 H new ATOM 0 HB3 ALA A 150 81.073 18.602 -7.157 1.00 25.00 H new ATOM 1106 N GLU A 151 81.816 21.234 -4.289 1.00 25.00 N ATOM 1107 CA GLU A 151 82.663 22.441 -4.207 1.00 25.00 C ATOM 1108 C GLU A 151 82.836 23.221 -5.532 1.00 25.00 C ATOM 1109 O GLU A 151 83.803 23.964 -5.693 1.00 25.00 O ATOM 1110 CB GLU A 151 84.051 22.124 -3.623 1.00 25.00 C ATOM 1111 CG GLU A 151 84.038 21.497 -2.248 1.00 25.00 C ATOM 1112 CD GLU A 151 85.440 21.450 -1.657 1.00 25.00 C ATOM 1113 OE1 GLU A 151 86.387 21.071 -2.387 1.00 25.00 O ATOM 1114 OE2 GLU A 151 85.606 21.846 -0.484 1.00 25.00 O1- ATOM 0 H GLU A 151 80.993 21.280 -3.688 1.00 25.00 H new ATOM 0 HA GLU A 151 82.108 23.096 -3.535 1.00 25.00 H new ATOM 0 HB2 GLU A 151 84.572 21.453 -4.307 1.00 25.00 H new ATOM 0 HB3 GLU A 151 84.630 23.047 -3.580 1.00 25.00 H new ATOM 0 HG2 GLU A 151 83.381 22.067 -1.591 1.00 25.00 H new ATOM 0 HG3 GLU A 151 83.631 20.488 -2.308 1.00 25.00 H new ATOM 1121 N ARG A 152 81.887 23.112 -6.455 1.00 25.00 N ATOM 1122 CA ARG A 152 81.884 23.955 -7.663 1.00 25.00 C ATOM 1123 C ARG A 152 80.498 24.575 -7.826 1.00 25.00 C ATOM 1124 O ARG A 152 79.489 23.886 -7.663 1.00 25.00 O ATOM 1125 CB ARG A 152 82.222 23.151 -8.931 1.00 25.00 C ATOM 1126 CG ARG A 152 83.709 22.808 -9.099 1.00 25.00 C ATOM 1127 CD ARG A 152 84.033 21.477 -8.454 1.00 25.00 C ATOM 1128 NE ARG A 152 85.467 21.139 -8.492 1.00 25.00 N ATOM 1129 CZ ARG A 152 86.341 21.398 -7.522 1.00 25.00 C ATOM 1130 NH1 ARG A 152 86.022 22.042 -6.431 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 87.574 20.993 -7.657 1.00 25.00 N ATOM 0 H ARG A 152 81.110 22.454 -6.398 1.00 25.00 H new ATOM 0 HA ARG A 152 82.648 24.722 -7.540 1.00 25.00 H new ATOM 0 HB2 ARG A 152 81.649 22.224 -8.920 1.00 25.00 H new ATOM 0 HB3 ARG A 152 81.894 23.718 -9.802 1.00 25.00 H new ATOM 0 HG2 ARG A 152 83.961 22.774 -10.159 1.00 25.00 H new ATOM 0 HG3 ARG A 152 84.320 23.592 -8.651 1.00 25.00 H new ATOM 0 HD2 ARG A 152 83.699 21.494 -7.416 1.00 25.00 H new ATOM 0 HD3 ARG A 152 83.469 20.692 -8.957 1.00 25.00 H new ATOM 0 HE ARG A 152 85.817 20.670 -9.327 1.00 25.00 H new ATOM 0 HH11 ARG A 152 85.066 22.371 -6.294 1.00 25.00 H new ATOM 0 HH12 ARG A 152 86.729 22.216 -5.716 1.00 25.00 H new ATOM 0 HH21 ARG A 152 87.855 20.486 -8.496 1.00 25.00 H new ATOM 0 HH22 ARG A 152 88.256 21.183 -6.923 1.00 25.00 H new ATOM 1145 N PRO A 153 80.421 25.885 -8.123 1.00 25.00 N ATOM 1146 CA PRO A 153 79.075 26.422 -8.325 1.00 25.00 C ATOM 1147 C PRO A 153 78.477 25.899 -9.625 1.00 25.00 C ATOM 1148 O PRO A 153 79.187 25.660 -10.603 1.00 25.00 O ATOM 1149 CB PRO A 153 79.306 27.931 -8.372 1.00 25.00 C ATOM 1150 CG PRO A 153 80.677 28.069 -8.920 1.00 25.00 C ATOM 1151 CD PRO A 153 81.449 26.924 -8.319 1.00 25.00 C ATOM 0 HA PRO A 153 78.368 26.133 -7.548 1.00 25.00 H new ATOM 0 HB2 PRO A 153 78.571 28.427 -9.006 1.00 25.00 H new ATOM 0 HB3 PRO A 153 79.226 28.378 -7.381 1.00 25.00 H new ATOM 0 HG2 PRO A 153 80.675 28.016 -10.009 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.117 29.029 -8.648 1.00 25.00 H new ATOM 0 HD2 PRO A 153 82.244 26.583 -8.982 1.00 25.00 H new ATOM 0 HD3 PRO A 153 81.919 27.207 -7.377 1.00 25.00 H new ATOM 1159 N LEU A 154 77.173 25.703 -9.625 1.00 25.00 N ATOM 1160 CA LEU A 154 76.473 25.141 -10.784 1.00 25.00 C ATOM 1161 C LEU A 154 76.056 26.269 -11.736 1.00 0.00 C ATOM 1162 O LEU A 154 74.873 26.553 -11.911 1.00 25.00 O ATOM 1163 CB LEU A 154 75.257 24.335 -10.316 1.00 25.00 C ATOM 1164 CG LEU A 154 75.585 23.156 -9.374 1.00 25.00 C ATOM 1165 CD1 LEU A 154 74.669 23.169 -8.168 1.00 25.00 C ATOM 1166 CD2 LEU A 154 75.454 21.836 -10.096 1.00 25.00 C ATOM 0 H LEU A 154 76.566 25.923 -8.835 1.00 25.00 H new ATOM 0 HA LEU A 154 77.140 24.469 -11.323 1.00 25.00 H new ATOM 0 HB2 LEU A 154 74.567 25.008 -9.806 1.00 25.00 H new ATOM 0 HB3 LEU A 154 74.736 23.948 -11.192 1.00 25.00 H new ATOM 0 HG LEU A 154 76.616 23.272 -9.041 1.00 25.00 H new ATOM 0 HD11 LEU A 154 74.915 22.331 -7.515 1.00 25.00 H new ATOM 0 HD12 LEU A 154 74.799 24.104 -7.623 1.00 25.00 H new ATOM 0 HD13 LEU A 154 73.633 23.081 -8.497 1.00 25.00 H new ATOM 0 HD21 LEU A 154 75.690 21.022 -9.411 1.00 25.00 H new ATOM 0 HD22 LEU A 154 74.433 21.720 -10.459 1.00 25.00 H new ATOM 0 HD23 LEU A 154 76.144 21.812 -10.939 1.00 25.00 H new ATOM 1178 N THR A 155 77.045 26.955 -12.292 1.00 25.00 N ATOM 1179 CA THR A 155 76.799 28.139 -13.123 1.00 25.00 C ATOM 1180 C THR A 155 76.180 27.813 -14.477 1.00 25.00 C ATOM 1181 O THR A 155 75.398 28.606 -15.006 1.00 25.00 O ATOM 1182 CB THR A 155 78.107 28.911 -13.376 1.00 25.00 C ATOM 1183 OG1 THR A 155 79.084 28.023 -13.927 1.00 25.00 O ATOM 1184 CG2 THR A 155 78.665 29.472 -12.079 1.00 25.00 C ATOM 0 H THR A 155 78.031 26.716 -12.186 1.00 25.00 H new ATOM 0 HA THR A 155 76.089 28.743 -12.558 1.00 25.00 H new ATOM 0 HB THR A 155 77.889 29.729 -14.063 1.00 25.00 H new ATOM 0 HG1 THR A 155 79.917 28.513 -14.090 1.00 25.00 H new ATOM 0 HG21 THR A 155 79.589 30.013 -12.284 1.00 25.00 H new ATOM 0 HG22 THR A 155 77.938 30.151 -11.634 1.00 25.00 H new ATOM 0 HG23 THR A 155 78.869 28.655 -11.387 1.00 25.00 H new ATOM 1192 N ASP A 156 76.485 26.640 -15.020 1.00 25.00 N ATOM 1193 CA ASP A 156 75.864 26.191 -16.273 1.00 25.00 C ATOM 1194 C ASP A 156 74.511 25.598 -15.890 1.00 25.00 C ATOM 1195 O ASP A 156 74.326 24.382 -15.855 1.00 25.00 O ATOM 1196 CB ASP A 156 76.703 25.125 -16.995 1.00 25.00 C ATOM 1197 CG ASP A 156 77.836 25.704 -17.813 1.00 25.00 C ATOM 1198 OD1 ASP A 156 77.815 26.905 -18.135 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 78.719 24.902 -18.212 1.00 25.00 O1- ATOM 0 H ASP A 156 77.154 25.982 -14.620 1.00 25.00 H new ATOM 0 HA ASP A 156 75.775 27.032 -16.960 1.00 25.00 H new ATOM 0 HB2 ASP A 156 77.113 24.435 -16.257 1.00 25.00 H new ATOM 0 HB3 ASP A 156 76.053 24.543 -17.649 1.00 25.00 H new ATOM 1204 N ASN A 157 73.583 26.471 -15.537 1.00 25.00 N ATOM 1205 CA ASN A 157 72.271 26.063 -15.041 1.00 25.00 C ATOM 1206 C ASN A 157 71.399 25.448 -16.139 1.00 25.00 C ATOM 1207 O ASN A 157 70.405 24.792 -15.857 1.00 25.00 O ATOM 1208 CB ASN A 157 71.568 27.267 -14.403 1.00 25.00 C ATOM 1209 CG ASN A 157 71.281 28.364 -15.396 1.00 25.00 C ATOM 1210 OD1 ASN A 157 70.331 28.303 -16.134 1.00 25.00 O ATOM 1211 ND2 ASN A 157 72.119 29.367 -15.419 1.00 25.00 N ATOM 0 H ASN A 157 73.713 27.482 -15.584 1.00 25.00 H new ATOM 0 HA ASN A 157 72.423 25.287 -14.291 1.00 25.00 H new ATOM 0 HB2 ASN A 157 70.633 26.939 -13.950 1.00 25.00 H new ATOM 0 HB3 ASN A 157 72.190 27.663 -13.600 1.00 25.00 H new ATOM 0 HD21 ASN A 157 71.979 30.133 -16.078 1.00 25.00 H new ATOM 0 HD22 ASN A 157 72.912 29.383 -14.778 1.00 25.00 H new ATOM 1218 N HIS A 158 71.819 25.609 -17.385 1.00 25.00 N ATOM 1219 CA HIS A 158 71.115 25.026 -18.526 1.00 25.00 C ATOM 1220 C HIS A 158 71.392 23.522 -18.658 1.00 25.00 C ATOM 1221 O HIS A 158 70.822 22.851 -19.507 1.00 25.00 O ATOM 1222 CB HIS A 158 71.556 25.730 -19.809 1.00 25.00 C ATOM 1223 CG HIS A 158 71.365 27.215 -19.777 1.00 25.00 C ATOM 1224 ND1 HIS A 158 72.377 28.130 -19.937 1.00 25.00 N ATOM 1225 CD2 HIS A 158 70.237 27.963 -19.607 1.00 25.00 C ATOM 1226 CE1 HIS A 158 71.852 29.349 -19.862 1.00 25.00 C ATOM 1227 NE2 HIS A 158 70.552 29.308 -19.662 1.00 25.00 N ATOM 0 H HIS A 158 72.651 26.143 -17.637 1.00 25.00 H new ATOM 0 HA HIS A 158 70.046 25.161 -18.363 1.00 25.00 H new ATOM 0 HB2 HIS A 158 72.609 25.512 -19.989 1.00 25.00 H new ATOM 0 HB3 HIS A 158 70.997 25.319 -20.649 1.00 25.00 H new ATOM 0 HD2 HIS A 158 69.245 27.564 -19.452 1.00 25.00 H new ATOM 0 HE1 HIS A 158 72.423 30.261 -19.954 1.00 25.00 H new ATOM 0 HE2 HIS A 158 69.914 30.098 -19.568 1.00 25.00 H new ATOM 1235 N ARG A 159 72.291 22.995 -17.836 1.00 25.00 N ATOM 1236 CA ARG A 159 72.594 21.562 -17.863 1.00 25.00 C ATOM 1237 C ARG A 159 71.622 20.837 -16.959 1.00 25.00 C ATOM 1238 O ARG A 159 71.115 21.410 -15.999 1.00 25.00 O ATOM 1239 CB ARG A 159 74.002 21.286 -17.347 1.00 25.00 C ATOM 1240 CG ARG A 159 75.121 21.791 -18.219 1.00 25.00 C ATOM 1241 CD ARG A 159 76.447 21.373 -17.594 1.00 25.00 C ATOM 1242 NE ARG A 159 77.606 22.022 -18.230 1.00 25.00 N ATOM 1243 CZ ARG A 159 78.774 21.445 -18.476 1.00 25.00 C ATOM 1244 NH1 ARG A 159 79.015 20.183 -18.197 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 79.720 22.163 -19.008 1.00 25.00 N ATOM 0 H ARG A 159 72.821 23.529 -17.147 1.00 25.00 H new ATOM 0 HA ARG A 159 72.514 21.219 -18.894 1.00 25.00 H new ATOM 0 HB2 ARG A 159 74.103 21.735 -16.359 1.00 25.00 H new ATOM 0 HB3 ARG A 159 74.120 20.210 -17.221 1.00 25.00 H new ATOM 0 HG2 ARG A 159 75.031 21.382 -19.225 1.00 25.00 H new ATOM 0 HG3 ARG A 159 75.070 22.876 -18.310 1.00 25.00 H new ATOM 0 HD2 ARG A 159 76.436 21.618 -16.532 1.00 25.00 H new ATOM 0 HD3 ARG A 159 76.555 20.291 -17.670 1.00 25.00 H new ATOM 0 HE ARG A 159 77.501 22.999 -18.505 1.00 25.00 H new ATOM 0 HH11 ARG A 159 78.288 19.606 -17.774 1.00 25.00 H new ATOM 0 HH12 ARG A 159 79.929 19.781 -18.404 1.00 25.00 H new ATOM 0 HH21 ARG A 159 79.553 23.146 -19.226 1.00 25.00 H new ATOM 0 HH22 ARG A 159 80.628 21.743 -19.207 1.00 25.00 H new ATOM 1259 N SER A 160 71.426 19.557 -17.219 1.00 25.00 N ATOM 1260 CA SER A 160 70.608 18.723 -16.352 1.00 25.00 C ATOM 1261 C SER A 160 71.417 18.276 -15.142 1.00 25.00 C ATOM 1262 O SER A 160 72.647 18.340 -15.146 1.00 25.00 O ATOM 1263 CB SER A 160 70.118 17.494 -17.109 1.00 25.00 C ATOM 1264 OG SER A 160 71.203 16.669 -17.509 1.00 25.00 O ATOM 0 H SER A 160 71.822 19.071 -18.024 1.00 25.00 H new ATOM 0 HA SER A 160 69.750 19.308 -16.021 1.00 25.00 H new ATOM 0 HB2 SER A 160 69.437 16.923 -16.478 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.553 17.806 -17.987 1.00 25.00 H new ATOM 0 HG SER A 160 70.860 15.888 -17.991 1.00 25.00 H new ATOM 1270 N LEU A 161 70.733 17.779 -14.126 1.00 25.00 N ATOM 1271 CA LEU A 161 71.388 17.269 -12.921 1.00 25.00 C ATOM 1272 C LEU A 161 72.292 16.077 -13.251 1.00 25.00 C ATOM 1273 O LEU A 161 73.433 15.979 -12.763 1.00 25.00 O ATOM 1274 CB LEU A 161 70.309 16.872 -11.912 1.00 25.00 C ATOM 1275 CG LEU A 161 69.593 18.083 -11.286 1.00 25.00 C ATOM 1276 CD1 LEU A 161 68.249 17.678 -10.767 1.00 25.00 C ATOM 1277 CD2 LEU A 161 70.421 18.683 -10.146 1.00 25.00 C ATOM 0 H LEU A 161 69.715 17.715 -14.107 1.00 25.00 H new ATOM 0 HA LEU A 161 72.022 18.046 -12.494 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.573 16.238 -12.407 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.762 16.276 -11.120 1.00 25.00 H new ATOM 0 HG LEU A 161 69.471 18.838 -12.063 1.00 25.00 H new ATOM 0 HD11 LEU A 161 67.753 18.543 -10.327 1.00 25.00 H new ATOM 0 HD12 LEU A 161 67.644 17.291 -11.587 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.370 16.904 -10.009 1.00 25.00 H new ATOM 0 HD21 LEU A 161 69.892 19.536 -9.722 1.00 25.00 H new ATOM 0 HD22 LEU A 161 70.574 17.930 -9.373 1.00 25.00 H new ATOM 0 HD23 LEU A 161 71.387 19.010 -10.531 1.00 25.00 H new ATOM 1289 N ALA A 162 71.827 15.216 -14.148 1.00 25.00 N ATOM 1290 CA ALA A 162 72.621 14.075 -14.604 1.00 25.00 C ATOM 1291 C ALA A 162 73.921 14.530 -15.280 1.00 25.00 C ATOM 1292 O ALA A 162 74.930 13.836 -15.214 1.00 25.00 O ATOM 1293 CB ALA A 162 71.800 13.212 -15.562 1.00 25.00 C ATOM 0 H ALA A 162 70.904 15.284 -14.576 1.00 25.00 H new ATOM 0 HA ALA A 162 72.890 13.483 -13.730 1.00 25.00 H new ATOM 0 HB1 ALA A 162 72.401 12.366 -15.895 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.910 12.846 -15.050 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.503 13.808 -16.425 1.00 25.00 H new ATOM 1299 N SER A 163 73.904 15.700 -15.907 1.00 25.00 N ATOM 1300 CA SER A 163 75.098 16.230 -16.575 1.00 25.00 C ATOM 1301 C SER A 163 76.176 16.657 -15.577 1.00 25.00 C ATOM 1302 O SER A 163 77.336 16.817 -15.952 1.00 25.00 O ATOM 1303 CB SER A 163 74.743 17.428 -17.449 1.00 25.00 C ATOM 1304 OG SER A 163 73.767 17.090 -18.419 1.00 25.00 O ATOM 0 H SER A 163 73.083 16.302 -15.970 1.00 25.00 H new ATOM 0 HA SER A 163 75.491 15.421 -17.190 1.00 25.00 H new ATOM 0 HB2 SER A 163 74.370 18.239 -16.823 1.00 25.00 H new ATOM 0 HB3 SER A 163 75.640 17.796 -17.947 1.00 25.00 H new ATOM 0 HG SER A 163 72.915 16.901 -17.974 1.00 25.00 H new ATOM 1310 N TYR A 164 75.803 16.824 -14.313 1.00 25.00 N ATOM 1311 CA TYR A 164 76.775 17.130 -13.261 1.00 25.00 C ATOM 1312 C TYR A 164 77.075 15.870 -12.456 1.00 25.00 C ATOM 1313 O TYR A 164 77.973 15.855 -11.622 1.00 25.00 O ATOM 1314 CB TYR A 164 76.226 18.184 -12.318 1.00 25.00 C ATOM 1315 CG TYR A 164 76.300 19.584 -12.854 1.00 25.00 C ATOM 1316 CD1 TYR A 164 77.494 20.326 -12.763 1.00 25.00 C ATOM 1317 CD2 TYR A 164 75.173 20.194 -13.426 1.00 25.00 C ATOM 1318 CE1 TYR A 164 77.549 21.667 -13.213 1.00 25.00 C ATOM 1319 CE2 TYR A 164 75.221 21.536 -13.867 1.00 25.00 C ATOM 1320 CZ TYR A 164 76.404 22.262 -13.746 1.00 25.00 C ATOM 1321 OH TYR A 164 76.433 23.565 -14.145 1.00 25.00 O ATOM 0 H TYR A 164 74.838 16.754 -13.989 1.00 25.00 H new ATOM 0 HA TYR A 164 77.684 17.503 -13.734 1.00 25.00 H new ATOM 0 HB2 TYR A 164 75.186 17.948 -12.092 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.776 18.137 -11.378 1.00 25.00 H new ATOM 0 HD1 TYR A 164 78.378 19.866 -12.345 1.00 25.00 H new ATOM 0 HD2 TYR A 164 74.257 19.631 -13.531 1.00 25.00 H new ATOM 0 HE1 TYR A 164 78.470 22.226 -13.144 1.00 25.00 H new ATOM 0 HE2 TYR A 164 74.344 21.997 -14.296 1.00 25.00 H new ATOM 0 HH TYR A 164 75.663 23.747 -14.724 1.00 25.00 H new ATOM 1331 N GLY A 165 76.305 14.820 -12.706 1.00 25.00 N ATOM 1332 CA GLY A 165 76.465 13.573 -11.979 1.00 25.00 C ATOM 1333 C GLY A 165 75.661 13.502 -10.693 1.00 25.00 C ATOM 1334 O GLY A 165 75.971 12.679 -9.827 1.00 25.00 O ATOM 0 H GLY A 165 75.564 14.809 -13.407 1.00 25.00 H new ATOM 0 HA2 GLY A 165 76.171 12.747 -12.626 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.520 13.434 -11.744 1.00 25.00 H new ATOM 1338 N LEU A 166 74.620 14.320 -10.555 1.00 25.00 N ATOM 1339 CA LEU A 166 73.795 14.276 -9.345 1.00 25.00 C ATOM 1340 C LEU A 166 72.932 13.019 -9.320 1.00 25.00 C ATOM 1341 O LEU A 166 71.784 13.017 -9.750 1.00 25.00 O ATOM 1342 CB LEU A 166 72.894 15.513 -9.235 1.00 25.00 C ATOM 1343 CG LEU A 166 73.414 16.749 -8.494 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.741 16.415 -7.047 1.00 25.00 C ATOM 1345 CD2 LEU A 166 74.605 17.370 -9.178 1.00 25.00 C ATOM 0 H LEU A 166 74.330 15.009 -11.249 1.00 25.00 H new ATOM 0 HA LEU A 166 74.476 14.262 -8.494 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.635 15.822 -10.248 1.00 25.00 H new ATOM 0 HB3 LEU A 166 71.969 15.204 -8.749 1.00 25.00 H new ATOM 0 HG LEU A 166 72.613 17.488 -8.511 1.00 25.00 H new ATOM 0 HD11 LEU A 166 74.108 17.308 -6.541 1.00 25.00 H new ATOM 0 HD12 LEU A 166 72.843 16.057 -6.544 1.00 25.00 H new ATOM 0 HD13 LEU A 166 74.507 15.640 -7.017 1.00 25.00 H new ATOM 0 HD21 LEU A 166 74.935 18.242 -8.613 1.00 25.00 H new ATOM 0 HD22 LEU A 166 75.415 16.643 -9.229 1.00 25.00 H new ATOM 0 HD23 LEU A 166 74.327 17.675 -10.187 1.00 25.00 H new ATOM 1357 N LYS A 167 73.523 11.942 -8.837 1.00 25.00 N ATOM 1358 CA LYS A 167 72.830 10.659 -8.687 1.00 25.00 C ATOM 1359 C LYS A 167 71.832 10.708 -7.537 1.00 25.00 C ATOM 1360 O LYS A 167 71.954 11.520 -6.633 1.00 25.00 O ATOM 1361 CB LYS A 167 73.845 9.560 -8.380 1.00 25.00 C ATOM 1362 CG LYS A 167 74.860 9.340 -9.478 1.00 25.00 C ATOM 1363 CD LYS A 167 75.884 8.321 -9.045 1.00 25.00 C ATOM 1364 CE LYS A 167 76.982 8.201 -10.080 1.00 25.00 C ATOM 1365 NZ LYS A 167 78.028 7.237 -9.616 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.497 11.924 -8.535 1.00 25.00 H new ATOM 0 HA LYS A 167 72.303 10.454 -9.619 1.00 25.00 H new ATOM 0 HB2 LYS A 167 74.370 9.811 -7.458 1.00 25.00 H new ATOM 0 HB3 LYS A 167 73.312 8.627 -8.199 1.00 25.00 H new ATOM 0 HG2 LYS A 167 74.358 9.000 -10.384 1.00 25.00 H new ATOM 0 HG3 LYS A 167 75.353 10.281 -9.721 1.00 25.00 H new ATOM 0 HD2 LYS A 167 76.311 8.611 -8.085 1.00 25.00 H new ATOM 0 HD3 LYS A 167 75.404 7.353 -8.901 1.00 25.00 H new ATOM 0 HE2 LYS A 167 76.562 7.865 -11.028 1.00 25.00 H new ATOM 0 HE3 LYS A 167 77.431 9.178 -10.259 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 78.776 7.164 -10.335 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 78.439 7.574 -8.722 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 77.597 6.302 -9.468 1.00 25.00 H new ATOM 1379 N ASP A 168 70.903 9.767 -7.536 1.00 25.00 N ATOM 1380 CA ASP A 168 69.977 9.609 -6.422 1.00 25.00 C ATOM 1381 C ASP A 168 70.768 9.443 -5.123 1.00 25.00 C ATOM 1382 O ASP A 168 71.733 8.672 -5.065 1.00 25.00 O ATOM 1383 CB ASP A 168 69.106 8.374 -6.652 1.00 25.00 C ATOM 1384 CG ASP A 168 68.053 8.202 -5.582 1.00 25.00 C ATOM 1385 OD1 ASP A 168 66.948 8.742 -5.765 1.00 25.00 O ATOM 1386 OD2 ASP A 168 68.316 7.526 -4.571 1.00 25.00 O1- ATOM 0 H ASP A 168 70.768 9.099 -8.295 1.00 25.00 H new ATOM 0 HA ASP A 168 69.341 10.491 -6.350 1.00 25.00 H new ATOM 0 HB2 ASP A 168 68.621 8.451 -7.625 1.00 25.00 H new ATOM 0 HB3 ASP A 168 69.739 7.487 -6.680 1.00 25.00 H new ATOM 1391 N GLY A 169 70.389 10.210 -4.111 1.00 25.00 N ATOM 1392 CA GLY A 169 71.053 10.159 -2.819 1.00 25.00 C ATOM 1393 C GLY A 169 72.158 11.185 -2.652 1.00 25.00 C ATOM 1394 O GLY A 169 72.676 11.355 -1.549 1.00 25.00 O ATOM 0 H GLY A 169 69.620 10.878 -4.162 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.311 10.308 -2.035 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.472 9.163 -2.676 1.00 25.00 H new ATOM 1398 N ASP A 170 72.526 11.877 -3.722 1.00 25.00 N ATOM 1399 CA ASP A 170 73.573 12.899 -3.637 1.00 25.00 C ATOM 1400 C ASP A 170 73.018 14.190 -3.005 1.00 25.00 C ATOM 1401 O ASP A 170 71.800 14.339 -2.825 1.00 25.00 O ATOM 1402 CB ASP A 170 74.147 13.166 -5.028 1.00 25.00 C ATOM 1403 CG ASP A 170 75.625 13.517 -4.998 1.00 25.00 C ATOM 1404 OD1 ASP A 170 76.124 14.002 -3.957 1.00 25.00 O ATOM 1405 OD2 ASP A 170 76.301 13.293 -6.026 1.00 25.00 O1- ATOM 0 H ASP A 170 72.123 11.755 -4.651 1.00 25.00 H new ATOM 0 HA ASP A 170 74.376 12.537 -2.996 1.00 25.00 H new ATOM 0 HB2 ASP A 170 74.000 12.284 -5.652 1.00 25.00 H new ATOM 0 HB3 ASP A 170 73.594 13.982 -5.494 1.00 25.00 H new ATOM 1410 N VAL A 171 73.908 15.102 -2.632 1.00 25.00 N ATOM 1411 CA VAL A 171 73.528 16.305 -1.887 1.00 25.00 C ATOM 1412 C VAL A 171 74.101 17.598 -2.495 1.00 25.00 C ATOM 1413 O VAL A 171 75.239 17.644 -2.971 1.00 25.00 O ATOM 1414 CB VAL A 171 73.935 16.145 -0.374 1.00 25.00 C ATOM 1415 CG1 VAL A 171 75.418 15.803 -0.237 1.00 25.00 C ATOM 1416 CG2 VAL A 171 73.594 17.402 0.460 1.00 25.00 C ATOM 0 H VAL A 171 74.906 15.034 -2.833 1.00 25.00 H new ATOM 0 HA VAL A 171 72.445 16.406 -1.957 1.00 25.00 H new ATOM 0 HB VAL A 171 73.346 15.318 0.023 1.00 25.00 H new ATOM 0 HG11 VAL A 171 75.671 15.698 0.818 1.00 25.00 H new ATOM 0 HG12 VAL A 171 75.625 14.866 -0.754 1.00 25.00 H new ATOM 0 HG13 VAL A 171 76.017 16.600 -0.677 1.00 25.00 H new ATOM 0 HG21 VAL A 171 73.893 17.243 1.496 1.00 25.00 H new ATOM 0 HG22 VAL A 171 74.127 18.262 0.056 1.00 25.00 H new ATOM 0 HG23 VAL A 171 72.521 17.587 0.417 1.00 25.00 H new ATOM 1426 N VAL A 172 73.284 18.643 -2.485 1.00 25.00 N ATOM 1427 CA VAL A 172 73.644 19.952 -3.029 1.00 25.00 C ATOM 1428 C VAL A 172 73.632 20.971 -1.890 1.00 25.00 C ATOM 1429 O VAL A 172 72.756 20.931 -1.031 1.00 25.00 O ATOM 1430 CB VAL A 172 72.625 20.384 -4.123 1.00 25.00 C ATOM 1431 CG1 VAL A 172 73.080 21.670 -4.808 1.00 25.00 C ATOM 1432 CG2 VAL A 172 72.469 19.282 -5.170 1.00 25.00 C ATOM 0 H VAL A 172 72.342 18.608 -2.095 1.00 25.00 H new ATOM 0 HA VAL A 172 74.635 19.898 -3.481 1.00 25.00 H new ATOM 0 HB VAL A 172 71.665 20.560 -3.637 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.353 21.954 -5.569 1.00 25.00 H new ATOM 0 HG12 VAL A 172 73.161 22.467 -4.069 1.00 25.00 H new ATOM 0 HG13 VAL A 172 74.051 21.509 -5.276 1.00 25.00 H new ATOM 0 HG21 VAL A 172 71.753 19.599 -5.928 1.00 25.00 H new ATOM 0 HG22 VAL A 172 73.433 19.088 -5.640 1.00 25.00 H new ATOM 0 HG23 VAL A 172 72.109 18.372 -4.690 1.00 25.00 H new ATOM 1442 N ILE A 173 74.600 21.878 -1.870 1.00 25.00 N ATOM 1443 CA ILE A 173 74.686 22.891 -0.817 1.00 25.00 C ATOM 1444 C ILE A 173 74.420 24.258 -1.437 1.00 25.00 C ATOM 1445 O ILE A 173 75.055 24.648 -2.407 1.00 25.00 O ATOM 1446 CB ILE A 173 76.086 22.887 -0.129 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.378 21.485 0.457 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.141 23.966 1.000 1.00 25.00 C ATOM 1449 CD1 ILE A 173 77.816 21.293 0.972 1.00 25.00 C ATOM 0 H ILE A 173 75.339 21.936 -2.570 1.00 25.00 H new ATOM 0 HA ILE A 173 73.944 22.665 -0.051 1.00 25.00 H new ATOM 0 HB ILE A 173 76.845 23.127 -0.873 1.00 25.00 H new ATOM 0 HG12 ILE A 173 75.684 21.296 1.276 1.00 25.00 H new ATOM 0 HG13 ILE A 173 76.177 20.736 -0.309 1.00 25.00 H new ATOM 0 HG21 ILE A 173 77.124 23.951 1.470 1.00 25.00 H new ATOM 0 HG22 ILE A 173 75.959 24.951 0.571 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.378 23.750 1.748 1.00 25.00 H new ATOM 0 HD11 ILE A 173 77.930 20.283 1.364 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.519 21.446 0.153 1.00 25.00 H new ATOM 0 HD13 ILE A 173 78.018 22.015 1.764 1.00 25.00 H new ATOM 1461 N LEU A 174 73.487 24.996 -0.866 1.00 25.00 N ATOM 1462 CA LEU A 174 73.161 26.337 -1.327 1.00 25.00 C ATOM 1463 C LEU A 174 73.550 27.302 -0.219 1.00 25.00 C ATOM 1464 O LEU A 174 73.364 27.004 0.952 1.00 25.00 O ATOM 1465 CB LEU A 174 71.659 26.427 -1.640 1.00 25.00 C ATOM 1466 CG LEU A 174 71.150 27.814 -2.067 1.00 25.00 C ATOM 1467 CD1 LEU A 174 70.082 27.688 -3.136 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.584 28.572 -0.864 1.00 25.00 C ATOM 0 H LEU A 174 72.932 24.685 -0.069 1.00 25.00 H new ATOM 0 HA LEU A 174 73.701 26.585 -2.241 1.00 25.00 H new ATOM 0 HB2 LEU A 174 71.428 25.715 -2.433 1.00 25.00 H new ATOM 0 HB3 LEU A 174 71.103 26.112 -0.757 1.00 25.00 H new ATOM 0 HG LEU A 174 71.994 28.370 -2.474 1.00 25.00 H new ATOM 0 HD11 LEU A 174 69.736 28.681 -3.423 1.00 25.00 H new ATOM 0 HD12 LEU A 174 70.497 27.182 -4.008 1.00 25.00 H new ATOM 0 HD13 LEU A 174 69.244 27.110 -2.747 1.00 25.00 H new ATOM 0 HD21 LEU A 174 70.229 29.551 -1.185 1.00 25.00 H new ATOM 0 HD22 LEU A 174 69.756 28.008 -0.436 1.00 25.00 H new ATOM 0 HD23 LEU A 174 71.364 28.698 -0.113 1.00 25.00 H new ATOM 1480 N ARG A 175 74.080 28.462 -0.578 1.00 25.00 N ATOM 1481 CA ARG A 175 74.396 29.497 0.408 1.00 25.00 C ATOM 1482 C ARG A 175 73.687 30.786 0.046 1.00 25.00 C ATOM 1483 O ARG A 175 73.751 31.239 -1.087 1.00 25.00 O ATOM 1484 CB ARG A 175 75.902 29.726 0.502 1.00 25.00 C ATOM 1485 CG ARG A 175 76.611 28.589 1.214 1.00 25.00 C ATOM 1486 CD ARG A 175 78.025 28.969 1.622 1.00 25.00 C ATOM 1487 NE ARG A 175 78.491 28.119 2.733 1.00 25.00 N ATOM 1488 CZ ARG A 175 78.293 28.369 4.026 1.00 25.00 C ATOM 1489 NH1 ARG A 175 77.671 29.443 4.449 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 78.727 27.515 4.912 1.00 25.00 N ATOM 0 H ARG A 175 74.302 28.714 -1.541 1.00 25.00 H new ATOM 0 HA ARG A 175 74.048 29.160 1.384 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.314 29.838 -0.501 1.00 25.00 H new ATOM 0 HB3 ARG A 175 76.094 30.660 1.031 1.00 25.00 H new ATOM 0 HG2 ARG A 175 76.042 28.304 2.099 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.644 27.716 0.562 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.696 28.863 0.770 1.00 25.00 H new ATOM 0 HD3 ARG A 175 78.054 30.017 1.922 1.00 25.00 H new ATOM 0 HE ARG A 175 79.006 27.272 2.492 1.00 25.00 H new ATOM 0 HH11 ARG A 175 77.318 30.125 3.778 1.00 25.00 H new ATOM 0 HH12 ARG A 175 77.540 29.596 5.449 1.00 25.00 H new ATOM 0 HH21 ARG A 175 79.211 26.669 4.611 1.00 25.00 H new ATOM 0 HH22 ARG A 175 78.582 27.693 5.906 1.00 25.00 H new ATOM 1504 N GLN A 176 73.003 31.361 1.036 1.00 25.00 N ATOM 1505 CA GLN A 176 72.251 32.618 0.896 1.00 25.00 C ATOM 1506 C GLN A 176 72.849 33.720 1.781 1.00 25.00 C ATOM 1507 O GLN A 176 73.165 33.554 2.952 1.00 25.00 O ATOM 1508 CB GLN A 176 70.751 32.389 1.199 1.00 25.00 C ATOM 1509 CG GLN A 176 69.888 33.619 0.828 1.00 25.00 C ATOM 1510 CD GLN A 176 69.286 34.282 2.044 1.00 25.00 C ATOM 1511 OE1 GLN A 176 69.909 34.604 3.029 1.00 25.00 O ATOM 1512 NE2 GLN A 176 67.983 34.500 1.994 1.00 25.00 N ATOM 1513 OXT GLN A 176 73.049 34.756 1.209 1.00 25.00 O ATOM 0 H GLN A 176 72.952 30.964 1.974 1.00 25.00 H new ATOM 0 HA GLN A 176 72.333 32.956 -0.137 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.398 31.519 0.645 1.00 25.00 H new ATOM 0 HB3 GLN A 176 70.626 32.165 2.258 1.00 25.00 H new ATOM 0 HG2 GLN A 176 70.501 34.341 0.289 1.00 25.00 H new ATOM 0 HG3 GLN A 176 69.090 33.310 0.152 1.00 25.00 H new ATOM 0 HE21 GLN A 176 67.452 34.231 1.166 1.00 25.00 H new ATOM 0 HE22 GLN A 176 67.508 34.938 2.784 1.00 25.00 H new TER 1523 GLN A 176