USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 935 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 80 THR OG1 : rot 180:sc= 0.219 USER MOD Set 1.2: A 85 THR OG1 : rot -86:sc= 0.225 USER MOD Set 2.1: A 21 ASN : amide:sc= -1.56! K(o=-1.6!,f=1) USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= -0.0541 USER MOD Single : A 1 MET CE :methyl -124:sc= -0.753 (180deg=-2.36!) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0274 (180deg=-0.0628) USER MOD Single : A 2 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.74) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0773 X(o=-0.077,f=-0.11) USER MOD Single : A 17 GLN : amide:sc= -0.253 K(o=-0.25,f=-4.1!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.273 X(o=0.27,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 58:sc= -0.527 USER MOD Single : A 42 GLN : amide:sc= -0.0391 K(o=-0.039,f=-3!) USER MOD Single : A 46 HIS : no HE2:sc= 0.0172 K(o=0.017,f=-1.4) USER MOD Single : A 51 GLN : amide:sc= -1.33 K(o=-1.3,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.222 X(o=0.22,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.0741 X(o=-0.074,f=0.0027) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.014) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0 USER MOD Single : A 84 THR OG1 : rot 4:sc= 0.944 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 148:sc= 0.189 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 34:sc= 0.329 USER MOD Single : A 100 THR OG1 : rot 180:sc=-0.00398 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 109 ASN : amide:sc= -0.084 X(o=-0.084,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= -0.457 X(o=-0.46,f=-0.34) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 119 HIS : no HE2:sc= 0.196 K(o=0.2,f=-1.7) USER MOD Single : A 120 HIS : no HE2:sc= -0.457 X(o=-0.46,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.059 -16.290 -5.689 1.00 41.55 N ATOM 2 CA MET A 1 4.457 -16.253 -6.178 1.00 61.13 C ATOM 3 C MET A 1 5.427 -15.987 -5.022 1.00 70.33 C ATOM 4 O MET A 1 5.082 -15.284 -4.063 1.00 34.44 O ATOM 5 CB MET A 1 4.612 -15.188 -7.300 1.00 12.21 C ATOM 6 CG MET A 1 4.230 -13.747 -6.911 1.00 64.10 C ATOM 7 SD MET A 1 4.283 -12.629 -8.331 1.00 11.03 S ATOM 8 CE MET A 1 3.781 -11.065 -7.615 1.00 13.54 C ATOM 0 H1 MET A 1 2.442 -15.796 -6.365 1.00 41.55 H new ATOM 0 H2 MET A 1 2.750 -17.279 -5.596 1.00 41.55 H new ATOM 0 H3 MET A 1 3.003 -15.821 -4.762 1.00 41.55 H new ATOM 0 HA MET A 1 4.703 -17.227 -6.602 1.00 61.13 H new ATOM 0 HB2 MET A 1 5.648 -15.191 -7.638 1.00 12.21 H new ATOM 0 HB3 MET A 1 3.999 -15.490 -8.149 1.00 12.21 H new ATOM 0 HG2 MET A 1 3.228 -13.740 -6.481 1.00 64.10 H new ATOM 0 HG3 MET A 1 4.911 -13.387 -6.140 1.00 64.10 H new ATOM 0 HE1 MET A 1 2.918 -10.677 -8.157 1.00 13.54 H new ATOM 0 HE2 MET A 1 3.516 -11.213 -6.568 1.00 13.54 H new ATOM 0 HE3 MET A 1 4.603 -10.353 -7.684 1.00 13.54 H new ATOM 20 N GLN A 2 6.643 -16.555 -5.130 1.00 10.14 N ATOM 21 CA GLN A 2 7.712 -16.417 -4.112 1.00 40.25 C ATOM 22 C GLN A 2 8.464 -15.082 -4.273 1.00 53.30 C ATOM 23 O GLN A 2 9.313 -14.740 -3.441 1.00 5.42 O ATOM 24 CB GLN A 2 8.729 -17.602 -4.180 1.00 33.31 C ATOM 25 CG GLN A 2 8.149 -19.013 -3.902 1.00 52.20 C ATOM 26 CD GLN A 2 7.264 -19.561 -5.034 1.00 33.42 C ATOM 27 OE1 GLN A 2 6.042 -19.397 -5.042 1.00 72.23 O ATOM 28 NE2 GLN A 2 7.883 -20.191 -6.015 1.00 53.42 N ATOM 0 H GLN A 2 6.917 -17.127 -5.929 1.00 10.14 H new ATOM 0 HA GLN A 2 7.224 -16.435 -3.137 1.00 40.25 H new ATOM 0 HB2 GLN A 2 9.185 -17.607 -5.170 1.00 33.31 H new ATOM 0 HB3 GLN A 2 9.527 -17.411 -3.463 1.00 33.31 H new ATOM 0 HG2 GLN A 2 8.973 -19.706 -3.731 1.00 52.20 H new ATOM 0 HG3 GLN A 2 7.565 -18.980 -2.982 1.00 52.20 H new ATOM 0 HE21 GLN A 2 8.895 -20.313 -5.984 1.00 53.42 H new ATOM 0 HE22 GLN A 2 7.349 -20.555 -6.804 1.00 53.42 H new ATOM 37 N ASP A 3 8.143 -14.343 -5.348 1.00 11.05 N ATOM 38 CA ASP A 3 8.766 -13.052 -5.681 1.00 62.02 C ATOM 39 C ASP A 3 8.122 -11.936 -4.843 1.00 24.21 C ATOM 40 O ASP A 3 7.358 -11.115 -5.354 1.00 12.10 O ATOM 41 CB ASP A 3 8.619 -12.781 -7.205 1.00 24.31 C ATOM 42 CG ASP A 3 9.153 -13.942 -8.056 1.00 55.54 C ATOM 43 OD1 ASP A 3 8.376 -14.879 -8.342 1.00 55.15 O ATOM 44 OD2 ASP A 3 10.348 -13.940 -8.417 1.00 34.25 O ATOM 0 H ASP A 3 7.432 -14.631 -6.020 1.00 11.05 H new ATOM 0 HA ASP A 3 9.830 -13.078 -5.444 1.00 62.02 H new ATOM 0 HB2 ASP A 3 7.569 -12.612 -7.442 1.00 24.31 H new ATOM 0 HB3 ASP A 3 9.155 -11.868 -7.463 1.00 24.31 H new ATOM 49 N ILE A 4 8.437 -11.950 -3.539 1.00 23.25 N ATOM 50 CA ILE A 4 7.816 -11.073 -2.523 1.00 61.22 C ATOM 51 C ILE A 4 8.336 -9.616 -2.628 1.00 11.25 C ATOM 52 O ILE A 4 7.654 -8.684 -2.196 1.00 14.20 O ATOM 53 CB ILE A 4 8.040 -11.651 -1.065 1.00 42.44 C ATOM 54 CG1 ILE A 4 7.492 -13.113 -0.957 1.00 0.03 C ATOM 55 CG2 ILE A 4 7.391 -10.757 0.023 1.00 72.14 C ATOM 56 CD1 ILE A 4 5.991 -13.263 -1.188 1.00 51.32 C ATOM 0 H ILE A 4 9.140 -12.579 -3.150 1.00 23.25 H new ATOM 0 HA ILE A 4 6.744 -11.051 -2.721 1.00 61.22 H new ATOM 0 HB ILE A 4 9.116 -11.660 -0.888 1.00 42.44 H new ATOM 0 HG12 ILE A 4 8.019 -13.736 -1.680 1.00 0.03 H new ATOM 0 HG13 ILE A 4 7.732 -13.502 0.033 1.00 0.03 H new ATOM 0 HG21 ILE A 4 7.570 -11.192 1.006 1.00 72.14 H new ATOM 0 HG22 ILE A 4 7.828 -9.759 -0.017 1.00 72.14 H new ATOM 0 HG23 ILE A 4 6.318 -10.690 -0.154 1.00 72.14 H new ATOM 0 HD11 ILE A 4 5.711 -14.312 -1.092 1.00 51.32 H new ATOM 0 HD12 ILE A 4 5.448 -12.673 -0.449 1.00 51.32 H new ATOM 0 HD13 ILE A 4 5.740 -12.911 -2.189 1.00 51.32 H new ATOM 68 N VAL A 5 9.531 -9.425 -3.229 1.00 2.03 N ATOM 69 CA VAL A 5 10.112 -8.081 -3.460 1.00 43.01 C ATOM 70 C VAL A 5 9.177 -7.268 -4.374 1.00 71.42 C ATOM 71 O VAL A 5 8.706 -6.184 -4.004 1.00 1.32 O ATOM 72 CB VAL A 5 11.544 -8.153 -4.123 1.00 22.22 C ATOM 73 CG1 VAL A 5 12.212 -6.757 -4.176 1.00 12.42 C ATOM 74 CG2 VAL A 5 12.453 -9.189 -3.416 1.00 33.04 C ATOM 0 H VAL A 5 10.117 -10.189 -3.565 1.00 2.03 H new ATOM 0 HA VAL A 5 10.217 -7.600 -2.488 1.00 43.01 H new ATOM 0 HB VAL A 5 11.408 -8.492 -5.150 1.00 22.22 H new ATOM 0 HG11 VAL A 5 13.196 -6.842 -4.638 1.00 12.42 H new ATOM 0 HG12 VAL A 5 11.593 -6.079 -4.763 1.00 12.42 H new ATOM 0 HG13 VAL A 5 12.319 -6.366 -3.164 1.00 12.42 H new ATOM 0 HG21 VAL A 5 13.429 -9.208 -3.902 1.00 33.04 H new ATOM 0 HG22 VAL A 5 12.574 -8.912 -2.369 1.00 33.04 H new ATOM 0 HG23 VAL A 5 11.997 -10.177 -3.479 1.00 33.04 H new ATOM 84 N GLU A 6 8.887 -7.848 -5.554 1.00 1.45 N ATOM 85 CA GLU A 6 8.006 -7.241 -6.561 1.00 71.10 C ATOM 86 C GLU A 6 6.536 -7.292 -6.138 1.00 51.13 C ATOM 87 O GLU A 6 5.764 -6.391 -6.477 1.00 31.32 O ATOM 88 CB GLU A 6 8.188 -7.945 -7.925 1.00 32.00 C ATOM 89 CG GLU A 6 9.547 -7.679 -8.599 1.00 43.35 C ATOM 90 CD GLU A 6 9.846 -6.180 -8.829 1.00 62.41 C ATOM 91 OE1 GLU A 6 10.578 -5.567 -8.019 1.00 43.33 O ATOM 92 OE2 GLU A 6 9.357 -5.614 -9.832 1.00 13.12 O ATOM 0 H GLU A 6 9.261 -8.755 -5.834 1.00 1.45 H new ATOM 0 HA GLU A 6 8.289 -6.192 -6.653 1.00 71.10 H new ATOM 0 HB2 GLU A 6 8.069 -9.019 -7.785 1.00 32.00 H new ATOM 0 HB3 GLU A 6 7.393 -7.621 -8.597 1.00 32.00 H new ATOM 0 HG2 GLU A 6 10.338 -8.107 -7.983 1.00 43.35 H new ATOM 0 HG3 GLU A 6 9.574 -8.197 -9.558 1.00 43.35 H new ATOM 99 N ALA A 7 6.163 -8.349 -5.404 1.00 5.54 N ATOM 100 CA ALA A 7 4.791 -8.536 -4.924 1.00 44.43 C ATOM 101 C ALA A 7 4.399 -7.402 -3.973 1.00 23.41 C ATOM 102 O ALA A 7 3.401 -6.726 -4.192 1.00 32.20 O ATOM 103 CB ALA A 7 4.648 -9.902 -4.250 1.00 14.42 C ATOM 0 H ALA A 7 6.802 -9.094 -5.128 1.00 5.54 H new ATOM 0 HA ALA A 7 4.111 -8.508 -5.775 1.00 44.43 H new ATOM 0 HB1 ALA A 7 3.624 -10.029 -3.898 1.00 14.42 H new ATOM 0 HB2 ALA A 7 4.885 -10.688 -4.967 1.00 14.42 H new ATOM 0 HB3 ALA A 7 5.333 -9.964 -3.404 1.00 14.42 H new ATOM 109 N ALA A 8 5.244 -7.177 -2.962 1.00 45.02 N ATOM 110 CA ALA A 8 5.030 -6.143 -1.939 1.00 50.54 C ATOM 111 C ALA A 8 5.183 -4.726 -2.517 1.00 14.12 C ATOM 112 O ALA A 8 4.548 -3.792 -2.030 1.00 4.02 O ATOM 113 CB ALA A 8 5.999 -6.365 -0.783 1.00 22.14 C ATOM 0 H ALA A 8 6.103 -7.710 -2.828 1.00 45.02 H new ATOM 0 HA ALA A 8 4.006 -6.227 -1.575 1.00 50.54 H new ATOM 0 HB1 ALA A 8 5.841 -5.599 -0.024 1.00 22.14 H new ATOM 0 HB2 ALA A 8 5.826 -7.349 -0.347 1.00 22.14 H new ATOM 0 HB3 ALA A 8 7.023 -6.306 -1.151 1.00 22.14 H new ATOM 119 N LYS A 9 6.031 -4.586 -3.554 1.00 73.13 N ATOM 120 CA LYS A 9 6.236 -3.312 -4.269 1.00 22.12 C ATOM 121 C LYS A 9 4.933 -2.869 -4.965 1.00 1.12 C ATOM 122 O LYS A 9 4.426 -1.766 -4.717 1.00 33.21 O ATOM 123 CB LYS A 9 7.374 -3.476 -5.307 1.00 43.41 C ATOM 124 CG LYS A 9 7.674 -2.216 -6.151 1.00 2.25 C ATOM 125 CD LYS A 9 8.783 -2.464 -7.204 1.00 44.01 C ATOM 126 CE LYS A 9 9.107 -1.211 -8.025 1.00 44.44 C ATOM 127 NZ LYS A 9 10.213 -1.448 -8.990 1.00 23.43 N ATOM 0 H LYS A 9 6.594 -5.354 -3.920 1.00 73.13 H new ATOM 0 HA LYS A 9 6.517 -2.542 -3.550 1.00 22.12 H new ATOM 0 HB2 LYS A 9 8.284 -3.769 -4.783 1.00 43.41 H new ATOM 0 HB3 LYS A 9 7.116 -4.293 -5.980 1.00 43.41 H new ATOM 0 HG2 LYS A 9 6.763 -1.894 -6.655 1.00 2.25 H new ATOM 0 HG3 LYS A 9 7.978 -1.403 -5.491 1.00 2.25 H new ATOM 0 HD2 LYS A 9 9.687 -2.808 -6.701 1.00 44.01 H new ATOM 0 HD3 LYS A 9 8.469 -3.263 -7.876 1.00 44.01 H new ATOM 0 HE2 LYS A 9 8.216 -0.892 -8.566 1.00 44.44 H new ATOM 0 HE3 LYS A 9 9.380 -0.398 -7.353 1.00 44.44 H new ATOM 0 HZ1 LYS A 9 10.400 -0.576 -9.525 1.00 23.43 H new ATOM 0 HZ2 LYS A 9 11.071 -1.728 -8.473 1.00 23.43 H new ATOM 0 HZ3 LYS A 9 9.943 -2.206 -9.648 1.00 23.43 H new ATOM 141 N GLN A 10 4.395 -3.768 -5.812 1.00 20.33 N ATOM 142 CA GLN A 10 3.131 -3.556 -6.541 1.00 33.53 C ATOM 143 C GLN A 10 1.943 -3.438 -5.573 1.00 73.01 C ATOM 144 O GLN A 10 0.986 -2.706 -5.844 1.00 74.30 O ATOM 145 CB GLN A 10 2.891 -4.722 -7.542 1.00 63.34 C ATOM 146 CG GLN A 10 3.837 -4.732 -8.758 1.00 50.22 C ATOM 147 CD GLN A 10 3.688 -3.485 -9.629 1.00 32.15 C ATOM 148 OE1 GLN A 10 4.398 -2.490 -9.458 1.00 25.30 O ATOM 149 NE2 GLN A 10 2.735 -3.520 -10.546 1.00 72.14 N ATOM 0 H GLN A 10 4.830 -4.669 -6.011 1.00 20.33 H new ATOM 0 HA GLN A 10 3.211 -2.619 -7.092 1.00 33.53 H new ATOM 0 HB2 GLN A 10 2.996 -5.667 -7.009 1.00 63.34 H new ATOM 0 HB3 GLN A 10 1.863 -4.670 -7.899 1.00 63.34 H new ATOM 0 HG2 GLN A 10 4.868 -4.807 -8.411 1.00 50.22 H new ATOM 0 HG3 GLN A 10 3.638 -5.618 -9.361 1.00 50.22 H new ATOM 0 HE21 GLN A 10 2.167 -4.360 -10.660 1.00 72.14 H new ATOM 0 HE22 GLN A 10 2.568 -2.707 -11.139 1.00 72.14 H new ATOM 158 N ALA A 11 2.037 -4.165 -4.450 1.00 62.24 N ATOM 159 CA ALA A 11 1.014 -4.181 -3.408 1.00 14.33 C ATOM 160 C ALA A 11 0.905 -2.819 -2.721 1.00 63.10 C ATOM 161 O ALA A 11 -0.199 -2.335 -2.502 1.00 53.32 O ATOM 162 CB ALA A 11 1.317 -5.272 -2.383 1.00 33.52 C ATOM 0 H ALA A 11 2.837 -4.763 -4.243 1.00 62.24 H new ATOM 0 HA ALA A 11 0.055 -4.398 -3.879 1.00 14.33 H new ATOM 0 HB1 ALA A 11 0.546 -5.272 -1.613 1.00 33.52 H new ATOM 0 HB2 ALA A 11 1.334 -6.243 -2.879 1.00 33.52 H new ATOM 0 HB3 ALA A 11 2.288 -5.081 -1.925 1.00 33.52 H new ATOM 168 N ALA A 12 2.070 -2.209 -2.416 1.00 34.33 N ATOM 169 CA ALA A 12 2.142 -0.896 -1.752 1.00 32.24 C ATOM 170 C ALA A 12 1.462 0.188 -2.594 1.00 5.44 C ATOM 171 O ALA A 12 0.664 0.977 -2.077 1.00 31.14 O ATOM 172 CB ALA A 12 3.597 -0.520 -1.474 1.00 4.44 C ATOM 0 H ALA A 12 2.983 -2.614 -2.624 1.00 34.33 H new ATOM 0 HA ALA A 12 1.610 -0.968 -0.803 1.00 32.24 H new ATOM 0 HB1 ALA A 12 3.634 0.453 -0.983 1.00 4.44 H new ATOM 0 HB2 ALA A 12 4.049 -1.271 -0.826 1.00 4.44 H new ATOM 0 HB3 ALA A 12 4.147 -0.473 -2.414 1.00 4.44 H new ATOM 178 N ILE A 13 1.775 0.175 -3.902 1.00 15.05 N ATOM 179 CA ILE A 13 1.187 1.087 -4.889 1.00 64.13 C ATOM 180 C ILE A 13 -0.340 0.862 -4.961 1.00 63.25 C ATOM 181 O ILE A 13 -1.110 1.820 -4.888 1.00 25.45 O ATOM 182 CB ILE A 13 1.847 0.880 -6.308 1.00 5.34 C ATOM 183 CG1 ILE A 13 3.402 1.062 -6.219 1.00 61.40 C ATOM 184 CG2 ILE A 13 1.230 1.828 -7.368 1.00 70.54 C ATOM 185 CD1 ILE A 13 4.164 0.735 -7.496 1.00 23.02 C ATOM 0 H ILE A 13 2.450 -0.476 -4.303 1.00 15.05 H new ATOM 0 HA ILE A 13 1.380 2.113 -4.578 1.00 64.13 H new ATOM 0 HB ILE A 13 1.639 -0.140 -6.631 1.00 5.34 H new ATOM 0 HG12 ILE A 13 3.616 2.094 -5.940 1.00 61.40 H new ATOM 0 HG13 ILE A 13 3.781 0.430 -5.416 1.00 61.40 H new ATOM 0 HG21 ILE A 13 1.709 1.657 -8.332 1.00 70.54 H new ATOM 0 HG22 ILE A 13 0.161 1.631 -7.454 1.00 70.54 H new ATOM 0 HG23 ILE A 13 1.385 2.863 -7.064 1.00 70.54 H new ATOM 0 HD11 ILE A 13 5.230 0.892 -7.334 1.00 23.02 H new ATOM 0 HD12 ILE A 13 3.988 -0.305 -7.769 1.00 23.02 H new ATOM 0 HD13 ILE A 13 3.820 1.384 -8.301 1.00 23.02 H new ATOM 197 N ALA A 14 -0.748 -0.428 -5.024 1.00 40.12 N ATOM 198 CA ALA A 14 -2.165 -0.845 -5.143 1.00 74.15 C ATOM 199 C ALA A 14 -3.002 -0.441 -3.914 1.00 60.34 C ATOM 200 O ALA A 14 -4.208 -0.196 -4.041 1.00 15.44 O ATOM 201 CB ALA A 14 -2.255 -2.356 -5.370 1.00 33.41 C ATOM 0 H ALA A 14 -0.098 -1.214 -4.993 1.00 40.12 H new ATOM 0 HA ALA A 14 -2.583 -0.322 -6.003 1.00 74.15 H new ATOM 0 HB1 ALA A 14 -3.301 -2.649 -5.456 1.00 33.41 H new ATOM 0 HB2 ALA A 14 -1.728 -2.618 -6.288 1.00 33.41 H new ATOM 0 HB3 ALA A 14 -1.800 -2.878 -4.529 1.00 33.41 H new ATOM 207 N ILE A 15 -2.347 -0.379 -2.738 1.00 14.40 N ATOM 208 CA ILE A 15 -2.966 0.088 -1.485 1.00 31.45 C ATOM 209 C ILE A 15 -3.364 1.573 -1.620 1.00 72.14 C ATOM 210 O ILE A 15 -4.455 1.959 -1.208 1.00 43.52 O ATOM 211 CB ILE A 15 -2.008 -0.160 -0.245 1.00 24.21 C ATOM 212 CG1 ILE A 15 -1.911 -1.693 0.061 1.00 53.32 C ATOM 213 CG2 ILE A 15 -2.444 0.630 1.013 1.00 53.11 C ATOM 214 CD1 ILE A 15 -0.952 -2.079 1.179 1.00 44.23 C ATOM 0 H ILE A 15 -1.370 -0.653 -2.632 1.00 14.40 H new ATOM 0 HA ILE A 15 -3.872 -0.490 -1.300 1.00 31.45 H new ATOM 0 HB ILE A 15 -1.021 0.214 -0.516 1.00 24.21 H new ATOM 0 HG12 ILE A 15 -2.906 -2.058 0.317 1.00 53.32 H new ATOM 0 HG13 ILE A 15 -1.606 -2.209 -0.850 1.00 53.32 H new ATOM 0 HG21 ILE A 15 -1.753 0.423 1.830 1.00 53.11 H new ATOM 0 HG22 ILE A 15 -2.436 1.698 0.793 1.00 53.11 H new ATOM 0 HG23 ILE A 15 -3.450 0.327 1.302 1.00 53.11 H new ATOM 0 HD11 ILE A 15 -0.961 -3.161 1.309 1.00 44.23 H new ATOM 0 HD12 ILE A 15 0.056 -1.753 0.923 1.00 44.23 H new ATOM 0 HD13 ILE A 15 -1.263 -1.600 2.107 1.00 44.23 H new ATOM 226 N PHE A 16 -2.487 2.382 -2.250 1.00 74.42 N ATOM 227 CA PHE A 16 -2.772 3.806 -2.531 1.00 24.33 C ATOM 228 C PHE A 16 -3.810 3.957 -3.650 1.00 31.43 C ATOM 229 O PHE A 16 -4.634 4.876 -3.603 1.00 41.21 O ATOM 230 CB PHE A 16 -1.487 4.576 -2.908 1.00 22.34 C ATOM 231 CG PHE A 16 -0.442 4.605 -1.806 1.00 45.32 C ATOM 232 CD1 PHE A 16 -0.732 5.178 -0.565 1.00 61.53 C ATOM 233 CD2 PHE A 16 0.829 4.081 -2.011 1.00 24.12 C ATOM 234 CE1 PHE A 16 0.219 5.218 0.432 1.00 72.54 C ATOM 235 CE2 PHE A 16 1.771 4.118 -1.018 1.00 34.23 C ATOM 236 CZ PHE A 16 1.472 4.689 0.203 1.00 72.53 C ATOM 0 H PHE A 16 -1.571 2.072 -2.575 1.00 74.42 H new ATOM 0 HA PHE A 16 -3.179 4.234 -1.615 1.00 24.33 H new ATOM 0 HB2 PHE A 16 -1.051 4.122 -3.797 1.00 22.34 H new ATOM 0 HB3 PHE A 16 -1.752 5.600 -3.171 1.00 22.34 H new ATOM 0 HD1 PHE A 16 -1.712 5.594 -0.385 1.00 61.53 H new ATOM 0 HD2 PHE A 16 1.077 3.639 -2.965 1.00 24.12 H new ATOM 0 HE1 PHE A 16 -0.016 5.662 1.388 1.00 72.54 H new ATOM 0 HE2 PHE A 16 2.751 3.699 -1.190 1.00 34.23 H new ATOM 0 HZ PHE A 16 2.221 4.721 0.980 1.00 72.53 H new ATOM 246 N GLN A 17 -3.760 3.040 -4.642 1.00 42.25 N ATOM 247 CA GLN A 17 -4.694 3.035 -5.788 1.00 10.23 C ATOM 248 C GLN A 17 -6.134 2.849 -5.295 1.00 60.32 C ATOM 249 O GLN A 17 -7.057 3.461 -5.827 1.00 2.14 O ATOM 250 CB GLN A 17 -4.324 1.925 -6.811 1.00 73.13 C ATOM 251 CG GLN A 17 -2.919 2.062 -7.451 1.00 13.32 C ATOM 252 CD GLN A 17 -2.750 3.225 -8.440 1.00 41.02 C ATOM 253 OE1 GLN A 17 -3.432 4.241 -8.378 1.00 51.21 O ATOM 254 NE2 GLN A 17 -1.810 3.089 -9.354 1.00 42.32 N ATOM 0 H GLN A 17 -3.074 2.286 -4.670 1.00 42.25 H new ATOM 0 HA GLN A 17 -4.614 3.997 -6.295 1.00 10.23 H new ATOM 0 HB2 GLN A 17 -4.386 0.958 -6.312 1.00 73.13 H new ATOM 0 HB3 GLN A 17 -5.070 1.922 -7.606 1.00 73.13 H new ATOM 0 HG2 GLN A 17 -2.186 2.178 -6.653 1.00 13.32 H new ATOM 0 HG3 GLN A 17 -2.683 1.132 -7.968 1.00 13.32 H new ATOM 0 HE21 GLN A 17 -1.253 2.235 -9.389 1.00 42.32 H new ATOM 0 HE22 GLN A 17 -1.640 3.837 -10.026 1.00 42.32 H new ATOM 263 N LEU A 18 -6.298 2.006 -4.253 1.00 3.11 N ATOM 264 CA LEU A 18 -7.589 1.819 -3.583 1.00 5.14 C ATOM 265 C LEU A 18 -7.903 3.002 -2.659 1.00 51.24 C ATOM 266 O LEU A 18 -9.011 3.517 -2.696 1.00 53.42 O ATOM 267 CB LEU A 18 -7.626 0.490 -2.788 1.00 13.24 C ATOM 268 CG LEU A 18 -7.609 -0.819 -3.634 1.00 32.55 C ATOM 269 CD1 LEU A 18 -7.624 -2.062 -2.725 1.00 73.10 C ATOM 270 CD2 LEU A 18 -8.778 -0.852 -4.648 1.00 12.14 C ATOM 0 H LEU A 18 -5.543 1.444 -3.861 1.00 3.11 H new ATOM 0 HA LEU A 18 -8.355 1.771 -4.357 1.00 5.14 H new ATOM 0 HB2 LEU A 18 -6.772 0.472 -2.111 1.00 13.24 H new ATOM 0 HB3 LEU A 18 -8.523 0.486 -2.169 1.00 13.24 H new ATOM 0 HG LEU A 18 -6.681 -0.833 -4.206 1.00 32.55 H new ATOM 0 HD11 LEU A 18 -7.612 -2.962 -3.339 1.00 73.10 H new ATOM 0 HD12 LEU A 18 -6.746 -2.051 -2.079 1.00 73.10 H new ATOM 0 HD13 LEU A 18 -8.525 -2.053 -2.112 1.00 73.10 H new ATOM 0 HD21 LEU A 18 -8.736 -1.778 -5.221 1.00 12.14 H new ATOM 0 HD22 LEU A 18 -9.726 -0.799 -4.112 1.00 12.14 H new ATOM 0 HD23 LEU A 18 -8.696 -0.002 -5.325 1.00 12.14 H new ATOM 282 N TRP A 19 -6.906 3.450 -1.860 1.00 41.45 N ATOM 283 CA TRP A 19 -7.083 4.543 -0.862 1.00 3.21 C ATOM 284 C TRP A 19 -7.664 5.838 -1.488 1.00 35.13 C ATOM 285 O TRP A 19 -8.386 6.582 -0.813 1.00 74.54 O ATOM 286 CB TRP A 19 -5.752 4.834 -0.100 1.00 33.20 C ATOM 287 CG TRP A 19 -5.457 3.926 1.077 1.00 12.01 C ATOM 288 CD1 TRP A 19 -6.180 2.850 1.507 1.00 2.24 C ATOM 289 CD2 TRP A 19 -4.355 4.054 1.991 1.00 22.35 C ATOM 290 NE1 TRP A 19 -5.589 2.294 2.615 1.00 50.25 N ATOM 291 CE2 TRP A 19 -4.468 3.013 2.931 1.00 52.14 C ATOM 292 CE3 TRP A 19 -3.282 4.946 2.098 1.00 23.30 C ATOM 293 CZ2 TRP A 19 -3.550 2.840 3.964 1.00 11.34 C ATOM 294 CZ3 TRP A 19 -2.371 4.776 3.125 1.00 13.31 C ATOM 295 CH2 TRP A 19 -2.510 3.729 4.048 1.00 43.42 C ATOM 0 H TRP A 19 -5.960 3.070 -1.885 1.00 41.45 H new ATOM 0 HA TRP A 19 -7.819 4.188 -0.141 1.00 3.21 H new ATOM 0 HB2 TRP A 19 -4.926 4.761 -0.808 1.00 33.20 H new ATOM 0 HB3 TRP A 19 -5.776 5.864 0.256 1.00 33.20 H new ATOM 0 HD1 TRP A 19 -7.086 2.489 1.043 1.00 2.24 H new ATOM 0 HE1 TRP A 19 -5.930 1.477 3.121 1.00 50.25 H new ATOM 0 HE3 TRP A 19 -3.167 5.754 1.390 1.00 23.30 H new ATOM 0 HZ2 TRP A 19 -3.654 2.033 4.674 1.00 11.34 H new ATOM 0 HZ3 TRP A 19 -1.540 5.460 3.218 1.00 13.31 H new ATOM 0 HH2 TRP A 19 -1.784 3.621 4.840 1.00 43.42 H new ATOM 306 N LYS A 20 -7.340 6.098 -2.767 1.00 72.23 N ATOM 307 CA LYS A 20 -7.889 7.253 -3.518 1.00 51.41 C ATOM 308 C LYS A 20 -9.022 6.834 -4.483 1.00 5.10 C ATOM 309 O LYS A 20 -9.811 7.682 -4.908 1.00 54.50 O ATOM 310 CB LYS A 20 -6.757 7.974 -4.287 1.00 11.34 C ATOM 311 CG LYS A 20 -6.079 7.116 -5.371 1.00 65.42 C ATOM 312 CD LYS A 20 -4.826 7.796 -5.968 1.00 23.42 C ATOM 313 CE LYS A 20 -4.104 6.894 -6.973 1.00 73.51 C ATOM 314 NZ LYS A 20 -2.882 7.525 -7.527 1.00 24.51 N ATOM 0 H LYS A 20 -6.696 5.522 -3.310 1.00 72.23 H new ATOM 0 HA LYS A 20 -8.324 7.941 -2.793 1.00 51.41 H new ATOM 0 HB2 LYS A 20 -7.165 8.871 -4.753 1.00 11.34 H new ATOM 0 HB3 LYS A 20 -6.001 8.301 -3.574 1.00 11.34 H new ATOM 0 HG2 LYS A 20 -5.797 6.154 -4.944 1.00 65.42 H new ATOM 0 HG3 LYS A 20 -6.793 6.914 -6.169 1.00 65.42 H new ATOM 0 HD2 LYS A 20 -5.117 8.724 -6.459 1.00 23.42 H new ATOM 0 HD3 LYS A 20 -4.141 8.062 -5.163 1.00 23.42 H new ATOM 0 HE2 LYS A 20 -3.836 5.956 -6.487 1.00 73.51 H new ATOM 0 HE3 LYS A 20 -4.784 6.648 -7.789 1.00 73.51 H new ATOM 0 HZ1 LYS A 20 -2.431 6.875 -8.201 1.00 24.51 H new ATOM 0 HZ2 LYS A 20 -3.138 8.407 -8.015 1.00 24.51 H new ATOM 0 HZ3 LYS A 20 -2.219 7.737 -6.754 1.00 24.51 H new ATOM 328 N ASN A 21 -9.096 5.534 -4.819 1.00 50.10 N ATOM 329 CA ASN A 21 -10.092 4.998 -5.774 1.00 33.22 C ATOM 330 C ASN A 21 -10.415 3.524 -5.404 1.00 1.12 C ATOM 331 O ASN A 21 -9.826 2.591 -5.970 1.00 55.12 O ATOM 332 CB ASN A 21 -9.551 5.121 -7.235 1.00 1.42 C ATOM 333 CG ASN A 21 -10.574 4.733 -8.310 1.00 31.32 C ATOM 334 OD1 ASN A 21 -11.294 5.580 -8.844 1.00 43.11 O ATOM 335 ND2 ASN A 21 -10.658 3.453 -8.633 1.00 33.01 N ATOM 0 H ASN A 21 -8.470 4.824 -4.439 1.00 50.10 H new ATOM 0 HA ASN A 21 -11.014 5.576 -5.715 1.00 33.22 H new ATOM 0 HB2 ASN A 21 -9.229 6.148 -7.408 1.00 1.42 H new ATOM 0 HB3 ASN A 21 -8.670 4.488 -7.340 1.00 1.42 H new ATOM 0 HD21 ASN A 21 -11.329 3.148 -9.338 1.00 33.01 H new ATOM 0 HD22 ASN A 21 -10.052 2.771 -8.177 1.00 33.01 H new ATOM 342 N PRO A 22 -11.332 3.286 -4.399 1.00 11.45 N ATOM 343 CA PRO A 22 -11.669 1.911 -3.906 1.00 71.40 C ATOM 344 C PRO A 22 -12.385 1.053 -4.964 1.00 14.30 C ATOM 345 O PRO A 22 -12.516 -0.167 -4.810 1.00 1.31 O ATOM 346 CB PRO A 22 -12.585 2.184 -2.679 1.00 63.31 C ATOM 347 CG PRO A 22 -13.176 3.542 -2.934 1.00 61.21 C ATOM 348 CD PRO A 22 -12.101 4.333 -3.656 1.00 50.22 C ATOM 0 HA PRO A 22 -10.777 1.335 -3.661 1.00 71.40 H new ATOM 0 HB2 PRO A 22 -13.362 1.425 -2.589 1.00 63.31 H new ATOM 0 HB3 PRO A 22 -12.016 2.169 -1.750 1.00 63.31 H new ATOM 0 HG2 PRO A 22 -14.079 3.468 -3.539 1.00 61.21 H new ATOM 0 HG3 PRO A 22 -13.457 4.028 -2.000 1.00 61.21 H new ATOM 0 HD2 PRO A 22 -12.532 5.070 -4.334 1.00 50.22 H new ATOM 0 HD3 PRO A 22 -11.466 4.877 -2.957 1.00 50.22 H new ATOM 356 N THR A 23 -12.816 1.715 -6.043 1.00 64.54 N ATOM 357 CA THR A 23 -13.544 1.108 -7.150 1.00 33.24 C ATOM 358 C THR A 23 -12.615 0.391 -8.151 1.00 15.51 C ATOM 359 O THR A 23 -13.112 -0.201 -9.108 1.00 71.13 O ATOM 360 CB THR A 23 -14.361 2.215 -7.886 1.00 72.14 C ATOM 361 OG1 THR A 23 -13.488 3.301 -8.222 1.00 71.41 O ATOM 362 CG2 THR A 23 -15.521 2.752 -7.031 1.00 20.14 C ATOM 0 H THR A 23 -12.661 2.715 -6.169 1.00 64.54 H new ATOM 0 HA THR A 23 -14.208 0.349 -6.736 1.00 33.24 H new ATOM 0 HB THR A 23 -14.789 1.766 -8.782 1.00 72.14 H new ATOM 0 HG1 THR A 23 -13.997 3.998 -8.686 1.00 71.41 H new ATOM 0 HG21 THR A 23 -16.058 3.520 -7.588 1.00 20.14 H new ATOM 0 HG22 THR A 23 -16.202 1.936 -6.788 1.00 20.14 H new ATOM 0 HG23 THR A 23 -15.126 3.181 -6.110 1.00 20.14 H new ATOM 370 N ASP A 24 -11.276 0.443 -7.929 1.00 75.22 N ATOM 371 CA ASP A 24 -10.288 -0.163 -8.849 1.00 13.13 C ATOM 372 C ASP A 24 -10.261 -1.701 -8.663 1.00 13.55 C ATOM 373 O ASP A 24 -9.750 -2.176 -7.642 1.00 33.31 O ATOM 374 CB ASP A 24 -8.862 0.432 -8.618 1.00 43.10 C ATOM 375 CG ASP A 24 -7.886 0.128 -9.772 1.00 42.54 C ATOM 376 OD1 ASP A 24 -7.509 -1.045 -9.959 1.00 43.13 O ATOM 377 OD2 ASP A 24 -7.508 1.058 -10.518 1.00 72.32 O ATOM 0 H ASP A 24 -10.859 0.900 -7.118 1.00 75.22 H new ATOM 0 HA ASP A 24 -10.589 0.069 -9.870 1.00 13.13 H new ATOM 0 HB2 ASP A 24 -8.941 1.512 -8.492 1.00 43.10 H new ATOM 0 HB3 ASP A 24 -8.454 0.032 -7.690 1.00 43.10 H new ATOM 382 N PRO A 25 -10.805 -2.498 -9.641 1.00 52.02 N ATOM 383 CA PRO A 25 -10.889 -3.978 -9.519 1.00 44.54 C ATOM 384 C PRO A 25 -9.512 -4.677 -9.580 1.00 61.41 C ATOM 385 O PRO A 25 -9.326 -5.715 -8.946 1.00 33.30 O ATOM 386 CB PRO A 25 -11.783 -4.384 -10.719 1.00 24.10 C ATOM 387 CG PRO A 25 -11.580 -3.294 -11.730 1.00 44.43 C ATOM 388 CD PRO A 25 -11.400 -2.026 -10.928 1.00 5.21 C ATOM 0 HA PRO A 25 -11.290 -4.281 -8.552 1.00 44.54 H new ATOM 0 HB2 PRO A 25 -11.492 -5.355 -11.119 1.00 24.10 H new ATOM 0 HB3 PRO A 25 -12.830 -4.462 -10.425 1.00 24.10 H new ATOM 0 HG2 PRO A 25 -10.706 -3.493 -12.351 1.00 44.43 H new ATOM 0 HG3 PRO A 25 -12.436 -3.216 -12.400 1.00 44.43 H new ATOM 0 HD2 PRO A 25 -10.743 -1.321 -11.437 1.00 5.21 H new ATOM 0 HD3 PRO A 25 -12.350 -1.517 -10.766 1.00 5.21 H new ATOM 396 N GLU A 26 -8.561 -4.087 -10.331 1.00 50.42 N ATOM 397 CA GLU A 26 -7.243 -4.707 -10.605 1.00 0.34 C ATOM 398 C GLU A 26 -6.293 -4.578 -9.397 1.00 34.14 C ATOM 399 O GLU A 26 -5.506 -5.492 -9.120 1.00 3.31 O ATOM 400 CB GLU A 26 -6.603 -4.084 -11.877 1.00 22.04 C ATOM 401 CG GLU A 26 -7.412 -4.307 -13.174 1.00 30.02 C ATOM 402 CD GLU A 26 -6.755 -3.676 -14.420 1.00 64.12 C ATOM 403 OE1 GLU A 26 -6.107 -4.395 -15.210 1.00 75.34 O ATOM 404 OE2 GLU A 26 -6.870 -2.444 -14.601 1.00 71.24 O ATOM 0 H GLU A 26 -8.681 -3.171 -10.764 1.00 50.42 H new ATOM 0 HA GLU A 26 -7.406 -5.770 -10.781 1.00 0.34 H new ATOM 0 HB2 GLU A 26 -6.481 -3.012 -11.719 1.00 22.04 H new ATOM 0 HB3 GLU A 26 -5.605 -4.503 -12.009 1.00 22.04 H new ATOM 0 HG2 GLU A 26 -7.533 -5.378 -13.339 1.00 30.02 H new ATOM 0 HG3 GLU A 26 -8.411 -3.889 -13.047 1.00 30.02 H new ATOM 411 N ALA A 27 -6.398 -3.448 -8.669 1.00 12.35 N ATOM 412 CA ALA A 27 -5.551 -3.158 -7.499 1.00 53.42 C ATOM 413 C ALA A 27 -5.882 -4.120 -6.346 1.00 32.21 C ATOM 414 O ALA A 27 -4.984 -4.698 -5.727 1.00 23.31 O ATOM 415 CB ALA A 27 -5.719 -1.693 -7.064 1.00 13.53 C ATOM 0 H ALA A 27 -7.073 -2.712 -8.877 1.00 12.35 H new ATOM 0 HA ALA A 27 -4.508 -3.309 -7.776 1.00 53.42 H new ATOM 0 HB1 ALA A 27 -5.086 -1.496 -6.199 1.00 13.53 H new ATOM 0 HB2 ALA A 27 -5.429 -1.035 -7.883 1.00 13.53 H new ATOM 0 HB3 ALA A 27 -6.761 -1.509 -6.802 1.00 13.53 H new ATOM 421 N GLN A 28 -7.191 -4.302 -6.097 1.00 43.51 N ATOM 422 CA GLN A 28 -7.693 -5.225 -5.057 1.00 25.23 C ATOM 423 C GLN A 28 -7.579 -6.698 -5.501 1.00 74.10 C ATOM 424 O GLN A 28 -7.567 -7.599 -4.657 1.00 44.04 O ATOM 425 CB GLN A 28 -9.150 -4.859 -4.674 1.00 3.22 C ATOM 426 CG GLN A 28 -10.152 -4.865 -5.844 1.00 32.04 C ATOM 427 CD GLN A 28 -11.530 -4.316 -5.464 1.00 34.22 C ATOM 428 OE1 GLN A 28 -12.421 -5.060 -5.053 1.00 5.41 O ATOM 429 NE2 GLN A 28 -11.717 -3.007 -5.585 1.00 63.14 N ATOM 0 H GLN A 28 -7.930 -3.817 -6.607 1.00 43.51 H new ATOM 0 HA GLN A 28 -7.067 -5.113 -4.172 1.00 25.23 H new ATOM 0 HB2 GLN A 28 -9.497 -5.560 -3.915 1.00 3.22 H new ATOM 0 HB3 GLN A 28 -9.152 -3.869 -4.219 1.00 3.22 H new ATOM 0 HG2 GLN A 28 -9.746 -4.273 -6.664 1.00 32.04 H new ATOM 0 HG3 GLN A 28 -10.264 -5.885 -6.212 1.00 32.04 H new ATOM 0 HE21 GLN A 28 -10.962 -2.413 -5.928 1.00 63.14 H new ATOM 0 HE22 GLN A 28 -12.616 -2.595 -5.335 1.00 63.14 H new ATOM 438 N GLU A 29 -7.484 -6.926 -6.829 1.00 12.31 N ATOM 439 CA GLU A 29 -7.280 -8.271 -7.411 1.00 62.41 C ATOM 440 C GLU A 29 -5.877 -8.798 -7.091 1.00 64.23 C ATOM 441 O GLU A 29 -5.733 -9.924 -6.611 1.00 65.11 O ATOM 442 CB GLU A 29 -7.470 -8.244 -8.950 1.00 10.12 C ATOM 443 CG GLU A 29 -7.146 -9.576 -9.671 1.00 62.12 C ATOM 444 CD GLU A 29 -7.007 -9.423 -11.186 1.00 4.02 C ATOM 445 OE1 GLU A 29 -6.083 -8.698 -11.628 1.00 75.33 O ATOM 446 OE2 GLU A 29 -7.796 -10.031 -11.944 1.00 43.42 O ATOM 0 H GLU A 29 -7.546 -6.185 -7.527 1.00 12.31 H new ATOM 0 HA GLU A 29 -8.024 -8.933 -6.968 1.00 62.41 H new ATOM 0 HB2 GLU A 29 -8.502 -7.971 -9.169 1.00 10.12 H new ATOM 0 HB3 GLU A 29 -6.838 -7.460 -9.366 1.00 10.12 H new ATOM 0 HG2 GLU A 29 -6.220 -9.984 -9.267 1.00 62.12 H new ATOM 0 HG3 GLU A 29 -7.933 -10.299 -9.456 1.00 62.12 H new ATOM 453 N LEU A 30 -4.839 -7.983 -7.377 1.00 42.05 N ATOM 454 CA LEU A 30 -3.443 -8.400 -7.161 1.00 51.20 C ATOM 455 C LEU A 30 -3.185 -8.589 -5.651 1.00 11.02 C ATOM 456 O LEU A 30 -2.539 -9.560 -5.254 1.00 3.42 O ATOM 457 CB LEU A 30 -2.441 -7.417 -7.860 1.00 41.21 C ATOM 458 CG LEU A 30 -2.295 -5.944 -7.298 1.00 31.15 C ATOM 459 CD1 LEU A 30 -1.178 -5.834 -6.232 1.00 74.02 C ATOM 460 CD2 LEU A 30 -2.063 -4.916 -8.432 1.00 54.41 C ATOM 0 H LEU A 30 -4.943 -7.041 -7.755 1.00 42.05 H new ATOM 0 HA LEU A 30 -3.269 -9.366 -7.634 1.00 51.20 H new ATOM 0 HB2 LEU A 30 -1.454 -7.879 -7.834 1.00 41.21 H new ATOM 0 HB3 LEU A 30 -2.730 -7.342 -8.908 1.00 41.21 H new ATOM 0 HG LEU A 30 -3.242 -5.707 -6.813 1.00 31.15 H new ATOM 0 HD11 LEU A 30 -1.115 -4.806 -5.876 1.00 74.02 H new ATOM 0 HD12 LEU A 30 -1.407 -6.494 -5.396 1.00 74.02 H new ATOM 0 HD13 LEU A 30 -0.224 -6.124 -6.673 1.00 74.02 H new ATOM 0 HD21 LEU A 30 -1.968 -3.918 -8.004 1.00 54.41 H new ATOM 0 HD22 LEU A 30 -1.150 -5.168 -8.971 1.00 54.41 H new ATOM 0 HD23 LEU A 30 -2.908 -4.937 -9.120 1.00 54.41 H new ATOM 472 N LEU A 31 -3.793 -7.701 -4.826 1.00 73.01 N ATOM 473 CA LEU A 31 -3.780 -7.816 -3.349 1.00 60.54 C ATOM 474 C LEU A 31 -4.474 -9.116 -2.873 1.00 14.32 C ATOM 475 O LEU A 31 -4.135 -9.649 -1.827 1.00 72.50 O ATOM 476 CB LEU A 31 -4.468 -6.579 -2.689 1.00 60.51 C ATOM 477 CG LEU A 31 -3.706 -5.220 -2.792 1.00 33.03 C ATOM 478 CD1 LEU A 31 -4.521 -4.066 -2.176 1.00 30.43 C ATOM 479 CD2 LEU A 31 -2.316 -5.311 -2.143 1.00 44.11 C ATOM 0 H LEU A 31 -4.305 -6.887 -5.166 1.00 73.01 H new ATOM 0 HA LEU A 31 -2.736 -7.851 -3.038 1.00 60.54 H new ATOM 0 HB2 LEU A 31 -5.451 -6.454 -3.142 1.00 60.51 H new ATOM 0 HB3 LEU A 31 -4.629 -6.801 -1.634 1.00 60.51 H new ATOM 0 HG LEU A 31 -3.572 -5.004 -3.852 1.00 33.03 H new ATOM 0 HD11 LEU A 31 -3.960 -3.136 -2.266 1.00 30.43 H new ATOM 0 HD12 LEU A 31 -5.470 -3.969 -2.703 1.00 30.43 H new ATOM 0 HD13 LEU A 31 -4.710 -4.276 -1.123 1.00 30.43 H new ATOM 0 HD21 LEU A 31 -1.810 -4.350 -2.231 1.00 44.11 H new ATOM 0 HD22 LEU A 31 -2.423 -5.570 -1.090 1.00 44.11 H new ATOM 0 HD23 LEU A 31 -1.728 -6.078 -2.648 1.00 44.11 H new ATOM 491 N ASN A 32 -5.442 -9.611 -3.657 1.00 73.13 N ATOM 492 CA ASN A 32 -6.179 -10.856 -3.338 1.00 23.42 C ATOM 493 C ASN A 32 -5.297 -12.101 -3.567 1.00 25.10 C ATOM 494 O ASN A 32 -5.515 -13.151 -2.956 1.00 61.11 O ATOM 495 CB ASN A 32 -7.472 -10.926 -4.193 1.00 35.10 C ATOM 496 CG ASN A 32 -8.448 -12.017 -3.747 1.00 34.23 C ATOM 497 OD1 ASN A 32 -8.377 -13.164 -4.186 1.00 5.44 O ATOM 498 ND2 ASN A 32 -9.373 -11.665 -2.873 1.00 13.03 N ATOM 0 H ASN A 32 -5.740 -9.168 -4.526 1.00 73.13 H new ATOM 0 HA ASN A 32 -6.451 -10.842 -2.283 1.00 23.42 H new ATOM 0 HB2 ASN A 32 -7.977 -9.961 -4.152 1.00 35.10 H new ATOM 0 HB3 ASN A 32 -7.199 -11.099 -5.234 1.00 35.10 H new ATOM 0 HD21 ASN A 32 -10.052 -12.352 -2.545 1.00 13.03 H new ATOM 0 HD22 ASN A 32 -9.408 -10.707 -2.526 1.00 13.03 H new ATOM 505 N LYS A 33 -4.289 -11.952 -4.443 1.00 64.12 N ATOM 506 CA LYS A 33 -3.434 -13.056 -4.912 1.00 23.14 C ATOM 507 C LYS A 33 -2.108 -13.141 -4.129 1.00 20.44 C ATOM 508 O LYS A 33 -1.497 -14.210 -4.083 1.00 13.03 O ATOM 509 CB LYS A 33 -3.166 -12.867 -6.431 1.00 71.35 C ATOM 510 CG LYS A 33 -4.460 -12.855 -7.283 1.00 54.23 C ATOM 511 CD LYS A 33 -4.226 -12.448 -8.755 1.00 11.41 C ATOM 512 CE LYS A 33 -3.314 -13.420 -9.517 1.00 11.25 C ATOM 513 NZ LYS A 33 -3.150 -13.018 -10.938 1.00 2.20 N ATOM 0 H LYS A 33 -4.042 -11.050 -4.850 1.00 64.12 H new ATOM 0 HA LYS A 33 -3.955 -13.997 -4.737 1.00 23.14 H new ATOM 0 HB2 LYS A 33 -2.629 -11.931 -6.585 1.00 71.35 H new ATOM 0 HB3 LYS A 33 -2.516 -13.669 -6.781 1.00 71.35 H new ATOM 0 HG2 LYS A 33 -4.912 -13.846 -7.256 1.00 54.23 H new ATOM 0 HG3 LYS A 33 -5.175 -12.166 -6.833 1.00 54.23 H new ATOM 0 HD2 LYS A 33 -5.187 -12.387 -9.265 1.00 11.41 H new ATOM 0 HD3 LYS A 33 -3.787 -11.451 -8.783 1.00 11.41 H new ATOM 0 HE2 LYS A 33 -2.338 -13.458 -9.034 1.00 11.25 H new ATOM 0 HE3 LYS A 33 -3.732 -14.425 -9.469 1.00 11.25 H new ATOM 0 HZ1 LYS A 33 -2.528 -13.697 -11.421 1.00 2.20 H new ATOM 0 HZ2 LYS A 33 -4.079 -13.006 -11.405 1.00 2.20 H new ATOM 0 HZ3 LYS A 33 -2.728 -12.069 -10.984 1.00 2.20 H new ATOM 527 N ILE A 34 -1.641 -12.017 -3.535 1.00 13.40 N ATOM 528 CA ILE A 34 -0.322 -11.974 -2.818 1.00 52.40 C ATOM 529 C ILE A 34 -0.456 -11.547 -1.333 1.00 11.13 C ATOM 530 O ILE A 34 0.394 -11.900 -0.507 1.00 32.52 O ATOM 531 CB ILE A 34 0.695 -11.036 -3.583 1.00 3.42 C ATOM 532 CG1 ILE A 34 0.133 -9.581 -3.701 1.00 70.43 C ATOM 533 CG2 ILE A 34 1.045 -11.623 -4.976 1.00 34.51 C ATOM 534 CD1 ILE A 34 0.889 -8.642 -4.627 1.00 40.13 C ATOM 0 H ILE A 34 -2.145 -11.130 -3.532 1.00 13.40 H new ATOM 0 HA ILE A 34 0.067 -12.992 -2.813 1.00 52.40 H new ATOM 0 HB ILE A 34 1.616 -10.987 -3.003 1.00 3.42 H new ATOM 0 HG12 ILE A 34 -0.901 -9.640 -4.042 1.00 70.43 H new ATOM 0 HG13 ILE A 34 0.115 -9.139 -2.705 1.00 70.43 H new ATOM 0 HG21 ILE A 34 1.746 -10.961 -5.484 1.00 34.51 H new ATOM 0 HG22 ILE A 34 1.499 -12.606 -4.853 1.00 34.51 H new ATOM 0 HG23 ILE A 34 0.136 -11.715 -5.571 1.00 34.51 H new ATOM 0 HD11 ILE A 34 0.407 -7.664 -4.627 1.00 40.13 H new ATOM 0 HD12 ILE A 34 1.917 -8.539 -4.281 1.00 40.13 H new ATOM 0 HD13 ILE A 34 0.886 -9.048 -5.639 1.00 40.13 H new ATOM 546 N LEU A 35 -1.508 -10.774 -1.009 1.00 51.30 N ATOM 547 CA LEU A 35 -1.823 -10.368 0.387 1.00 11.31 C ATOM 548 C LEU A 35 -2.983 -11.209 0.940 1.00 1.13 C ATOM 549 O LEU A 35 -3.620 -11.983 0.210 1.00 13.41 O ATOM 550 CB LEU A 35 -2.183 -8.838 0.469 1.00 71.01 C ATOM 551 CG LEU A 35 -1.000 -7.840 0.669 1.00 11.53 C ATOM 552 CD1 LEU A 35 -0.355 -8.003 2.057 1.00 44.02 C ATOM 553 CD2 LEU A 35 0.053 -7.962 -0.443 1.00 31.34 C ATOM 0 H LEU A 35 -2.166 -10.411 -1.699 1.00 51.30 H new ATOM 0 HA LEU A 35 -0.934 -10.543 0.993 1.00 11.31 H new ATOM 0 HB2 LEU A 35 -2.706 -8.564 -0.447 1.00 71.01 H new ATOM 0 HB3 LEU A 35 -2.886 -8.699 1.291 1.00 71.01 H new ATOM 0 HG LEU A 35 -1.421 -6.837 0.608 1.00 11.53 H new ATOM 0 HD11 LEU A 35 0.465 -7.293 2.163 1.00 44.02 H new ATOM 0 HD12 LEU A 35 -1.101 -7.814 2.829 1.00 44.02 H new ATOM 0 HD13 LEU A 35 0.028 -9.018 2.163 1.00 44.02 H new ATOM 0 HD21 LEU A 35 0.857 -7.249 -0.262 1.00 31.34 H new ATOM 0 HD22 LEU A 35 0.460 -8.973 -0.450 1.00 31.34 H new ATOM 0 HD23 LEU A 35 -0.410 -7.751 -1.407 1.00 31.34 H new ATOM 565 N SER A 36 -3.236 -11.031 2.241 1.00 33.43 N ATOM 566 CA SER A 36 -4.360 -11.659 2.938 1.00 72.25 C ATOM 567 C SER A 36 -5.673 -10.882 2.649 1.00 65.50 C ATOM 568 O SER A 36 -5.636 -9.653 2.508 1.00 71.24 O ATOM 569 CB SER A 36 -4.060 -11.689 4.455 1.00 55.13 C ATOM 570 OG SER A 36 -2.806 -12.305 4.707 1.00 62.13 O ATOM 0 H SER A 36 -2.661 -10.442 2.843 1.00 33.43 H new ATOM 0 HA SER A 36 -4.490 -12.680 2.580 1.00 72.25 H new ATOM 0 HB2 SER A 36 -4.058 -10.673 4.850 1.00 55.13 H new ATOM 0 HB3 SER A 36 -4.849 -12.232 4.976 1.00 55.13 H new ATOM 0 HG SER A 36 -2.101 -11.820 4.228 1.00 62.13 H new ATOM 576 N PRO A 37 -6.847 -11.589 2.519 1.00 40.24 N ATOM 577 CA PRO A 37 -8.190 -10.947 2.384 1.00 5.25 C ATOM 578 C PRO A 37 -8.485 -9.839 3.429 1.00 2.24 C ATOM 579 O PRO A 37 -9.209 -8.891 3.129 1.00 21.25 O ATOM 580 CB PRO A 37 -9.166 -12.132 2.534 1.00 23.40 C ATOM 581 CG PRO A 37 -8.398 -13.294 1.973 1.00 64.23 C ATOM 582 CD PRO A 37 -6.955 -13.072 2.395 1.00 42.31 C ATOM 0 HA PRO A 37 -8.273 -10.415 1.436 1.00 5.25 H new ATOM 0 HB2 PRO A 37 -9.439 -12.297 3.576 1.00 23.40 H new ATOM 0 HB3 PRO A 37 -10.092 -11.961 1.985 1.00 23.40 H new ATOM 0 HG2 PRO A 37 -8.779 -14.239 2.360 1.00 64.23 H new ATOM 0 HG3 PRO A 37 -8.487 -13.335 0.887 1.00 64.23 H new ATOM 0 HD2 PRO A 37 -6.733 -13.570 3.339 1.00 42.31 H new ATOM 0 HD3 PRO A 37 -6.257 -13.464 1.656 1.00 42.31 H new ATOM 590 N ASP A 38 -7.915 -9.974 4.644 1.00 51.33 N ATOM 591 CA ASP A 38 -8.060 -8.966 5.726 1.00 4.23 C ATOM 592 C ASP A 38 -7.362 -7.638 5.356 1.00 12.43 C ATOM 593 O ASP A 38 -7.866 -6.556 5.672 1.00 21.33 O ATOM 594 CB ASP A 38 -7.486 -9.496 7.072 1.00 20.55 C ATOM 595 CG ASP A 38 -8.237 -10.721 7.623 1.00 22.00 C ATOM 596 OD1 ASP A 38 -9.282 -10.554 8.289 1.00 32.43 O ATOM 597 OD2 ASP A 38 -7.791 -11.858 7.394 1.00 61.44 O ATOM 0 H ASP A 38 -7.344 -10.777 4.906 1.00 51.33 H new ATOM 0 HA ASP A 38 -9.127 -8.781 5.845 1.00 4.23 H new ATOM 0 HB2 ASP A 38 -6.437 -9.756 6.932 1.00 20.55 H new ATOM 0 HB3 ASP A 38 -7.520 -8.696 7.812 1.00 20.55 H new ATOM 602 N VAL A 39 -6.205 -7.745 4.672 1.00 73.00 N ATOM 603 CA VAL A 39 -5.364 -6.589 4.300 1.00 13.11 C ATOM 604 C VAL A 39 -6.077 -5.711 3.265 1.00 40.33 C ATOM 605 O VAL A 39 -6.299 -4.530 3.506 1.00 51.42 O ATOM 606 CB VAL A 39 -3.972 -7.040 3.734 1.00 42.40 C ATOM 607 CG1 VAL A 39 -3.119 -5.822 3.304 1.00 53.33 C ATOM 608 CG2 VAL A 39 -3.220 -7.919 4.758 1.00 44.21 C ATOM 0 H VAL A 39 -5.826 -8.639 4.361 1.00 73.00 H new ATOM 0 HA VAL A 39 -5.193 -6.012 5.209 1.00 13.11 H new ATOM 0 HB VAL A 39 -4.152 -7.643 2.844 1.00 42.40 H new ATOM 0 HG11 VAL A 39 -2.161 -6.168 2.916 1.00 53.33 H new ATOM 0 HG12 VAL A 39 -3.645 -5.265 2.528 1.00 53.33 H new ATOM 0 HG13 VAL A 39 -2.950 -5.174 4.164 1.00 53.33 H new ATOM 0 HG21 VAL A 39 -2.258 -8.219 4.343 1.00 44.21 H new ATOM 0 HG22 VAL A 39 -3.058 -7.352 5.675 1.00 44.21 H new ATOM 0 HG23 VAL A 39 -3.812 -8.807 4.980 1.00 44.21 H new ATOM 618 N LEU A 40 -6.450 -6.312 2.121 1.00 52.42 N ATOM 619 CA LEU A 40 -7.128 -5.589 1.024 1.00 15.41 C ATOM 620 C LEU A 40 -8.446 -4.960 1.501 1.00 75.32 C ATOM 621 O LEU A 40 -8.877 -3.930 0.975 1.00 34.02 O ATOM 622 CB LEU A 40 -7.354 -6.542 -0.187 1.00 43.33 C ATOM 623 CG LEU A 40 -8.201 -7.853 0.064 1.00 41.51 C ATOM 624 CD1 LEU A 40 -9.727 -7.624 0.017 1.00 63.55 C ATOM 625 CD2 LEU A 40 -7.801 -8.968 -0.900 1.00 23.33 C ATOM 0 H LEU A 40 -6.293 -7.302 1.929 1.00 52.42 H new ATOM 0 HA LEU A 40 -6.484 -4.772 0.699 1.00 15.41 H new ATOM 0 HB2 LEU A 40 -7.843 -5.972 -0.977 1.00 43.33 H new ATOM 0 HB3 LEU A 40 -6.377 -6.840 -0.567 1.00 43.33 H new ATOM 0 HG LEU A 40 -7.964 -8.160 1.083 1.00 41.51 H new ATOM 0 HD11 LEU A 40 -10.242 -8.567 0.198 1.00 63.55 H new ATOM 0 HD12 LEU A 40 -10.011 -6.903 0.784 1.00 63.55 H new ATOM 0 HD13 LEU A 40 -10.007 -7.240 -0.964 1.00 63.55 H new ATOM 0 HD21 LEU A 40 -8.402 -9.855 -0.700 1.00 23.33 H new ATOM 0 HD22 LEU A 40 -7.968 -8.640 -1.926 1.00 23.33 H new ATOM 0 HD23 LEU A 40 -6.746 -9.207 -0.763 1.00 23.33 H new ATOM 637 N ASP A 41 -9.049 -5.609 2.521 1.00 52.43 N ATOM 638 CA ASP A 41 -10.335 -5.224 3.097 1.00 20.24 C ATOM 639 C ASP A 41 -10.204 -3.905 3.878 1.00 62.14 C ATOM 640 O ASP A 41 -10.906 -2.944 3.575 1.00 64.52 O ATOM 641 CB ASP A 41 -10.882 -6.358 4.000 1.00 44.31 C ATOM 642 CG ASP A 41 -12.247 -6.037 4.622 1.00 52.00 C ATOM 643 OD1 ASP A 41 -12.335 -5.893 5.857 1.00 41.30 O ATOM 644 OD2 ASP A 41 -13.242 -5.933 3.868 1.00 74.21 O ATOM 0 H ASP A 41 -8.639 -6.429 2.968 1.00 52.43 H new ATOM 0 HA ASP A 41 -11.047 -5.063 2.288 1.00 20.24 H new ATOM 0 HB2 ASP A 41 -10.965 -7.272 3.412 1.00 44.31 H new ATOM 0 HB3 ASP A 41 -10.165 -6.555 4.797 1.00 44.31 H new ATOM 649 N GLN A 42 -9.265 -3.851 4.851 1.00 24.32 N ATOM 650 CA GLN A 42 -9.015 -2.623 5.644 1.00 73.42 C ATOM 651 C GLN A 42 -8.548 -1.453 4.749 1.00 51.43 C ATOM 652 O GLN A 42 -8.763 -0.287 5.087 1.00 5.13 O ATOM 653 CB GLN A 42 -8.016 -2.900 6.819 1.00 3.33 C ATOM 654 CG GLN A 42 -6.640 -3.527 6.445 1.00 61.14 C ATOM 655 CD GLN A 42 -5.488 -2.528 6.202 1.00 11.11 C ATOM 656 OE1 GLN A 42 -5.690 -1.383 5.797 1.00 30.34 O ATOM 657 NE2 GLN A 42 -4.261 -2.968 6.434 1.00 52.25 N ATOM 0 H GLN A 42 -8.670 -4.639 5.106 1.00 24.32 H new ATOM 0 HA GLN A 42 -9.962 -2.319 6.091 1.00 73.42 H new ATOM 0 HB2 GLN A 42 -7.830 -1.958 7.335 1.00 3.33 H new ATOM 0 HB3 GLN A 42 -8.507 -3.562 7.532 1.00 3.33 H new ATOM 0 HG2 GLN A 42 -6.343 -4.207 7.244 1.00 61.14 H new ATOM 0 HG3 GLN A 42 -6.769 -4.129 5.545 1.00 61.14 H new ATOM 0 HE21 GLN A 42 -4.116 -3.920 6.769 1.00 52.25 H new ATOM 0 HE22 GLN A 42 -3.461 -2.355 6.277 1.00 52.25 H new ATOM 666 N VAL A 43 -7.933 -1.791 3.600 1.00 30.10 N ATOM 667 CA VAL A 43 -7.492 -0.814 2.592 1.00 44.10 C ATOM 668 C VAL A 43 -8.706 -0.178 1.865 1.00 42.00 C ATOM 669 O VAL A 43 -8.830 1.047 1.849 1.00 10.42 O ATOM 670 CB VAL A 43 -6.484 -1.480 1.574 1.00 73.50 C ATOM 671 CG1 VAL A 43 -6.154 -0.551 0.392 1.00 10.34 C ATOM 672 CG2 VAL A 43 -5.178 -1.912 2.288 1.00 61.14 C ATOM 0 H VAL A 43 -7.728 -2.757 3.345 1.00 30.10 H new ATOM 0 HA VAL A 43 -6.963 -0.009 3.102 1.00 44.10 H new ATOM 0 HB VAL A 43 -6.980 -2.364 1.175 1.00 73.50 H new ATOM 0 HG11 VAL A 43 -5.458 -1.052 -0.281 1.00 10.34 H new ATOM 0 HG12 VAL A 43 -7.070 -0.309 -0.147 1.00 10.34 H new ATOM 0 HG13 VAL A 43 -5.700 0.367 0.766 1.00 10.34 H new ATOM 0 HG21 VAL A 43 -4.502 -2.367 1.565 1.00 61.14 H new ATOM 0 HG22 VAL A 43 -4.700 -1.039 2.732 1.00 61.14 H new ATOM 0 HG23 VAL A 43 -5.413 -2.634 3.070 1.00 61.14 H new ATOM 682 N ARG A 44 -9.619 -1.015 1.307 1.00 23.35 N ATOM 683 CA ARG A 44 -10.817 -0.514 0.568 1.00 35.43 C ATOM 684 C ARG A 44 -11.817 0.206 1.504 1.00 32.42 C ATOM 685 O ARG A 44 -12.623 1.023 1.039 1.00 32.10 O ATOM 686 CB ARG A 44 -11.549 -1.644 -0.223 1.00 62.35 C ATOM 687 CG ARG A 44 -11.900 -2.910 0.605 1.00 54.22 C ATOM 688 CD ARG A 44 -13.126 -3.692 0.092 1.00 14.34 C ATOM 689 NE ARG A 44 -14.385 -3.151 0.632 1.00 5.00 N ATOM 690 CZ ARG A 44 -15.622 -3.583 0.337 1.00 21.35 C ATOM 691 NH1 ARG A 44 -15.828 -4.576 -0.523 1.00 75.23 N ATOM 692 NH2 ARG A 44 -16.656 -3.047 0.966 1.00 3.04 N ATOM 0 H ARG A 44 -9.553 -2.032 1.352 1.00 23.35 H new ATOM 0 HA ARG A 44 -10.436 0.209 -0.154 1.00 35.43 H new ATOM 0 HB2 ARG A 44 -12.469 -1.236 -0.640 1.00 62.35 H new ATOM 0 HB3 ARG A 44 -10.922 -1.942 -1.064 1.00 62.35 H new ATOM 0 HG2 ARG A 44 -11.037 -3.576 0.610 1.00 54.22 H new ATOM 0 HG3 ARG A 44 -12.081 -2.614 1.638 1.00 54.22 H new ATOM 0 HD2 ARG A 44 -13.152 -3.654 -0.997 1.00 14.34 H new ATOM 0 HD3 ARG A 44 -13.031 -4.741 0.372 1.00 14.34 H new ATOM 0 HE ARG A 44 -14.311 -2.376 1.291 1.00 5.00 H new ATOM 0 HH11 ARG A 44 -15.036 -5.030 -0.977 1.00 75.23 H new ATOM 0 HH12 ARG A 44 -16.778 -4.884 -0.728 1.00 75.23 H new ATOM 0 HH21 ARG A 44 -16.507 -2.317 1.663 1.00 3.04 H new ATOM 0 HH22 ARG A 44 -17.602 -3.364 0.754 1.00 3.04 H new ATOM 706 N GLU A 45 -11.760 -0.097 2.809 1.00 64.43 N ATOM 707 CA GLU A 45 -12.617 0.550 3.818 1.00 5.33 C ATOM 708 C GLU A 45 -12.037 1.922 4.218 1.00 43.34 C ATOM 709 O GLU A 45 -12.765 2.918 4.271 1.00 44.32 O ATOM 710 CB GLU A 45 -12.780 -0.383 5.042 1.00 71.02 C ATOM 711 CG GLU A 45 -13.507 -1.713 4.734 1.00 12.50 C ATOM 712 CD GLU A 45 -14.961 -1.533 4.257 1.00 71.42 C ATOM 713 OE1 GLU A 45 -15.208 -1.483 3.024 1.00 34.15 O ATOM 714 OE2 GLU A 45 -15.866 -1.452 5.117 1.00 1.25 O ATOM 0 H GLU A 45 -11.123 -0.793 3.195 1.00 64.43 H new ATOM 0 HA GLU A 45 -13.606 0.727 3.394 1.00 5.33 H new ATOM 0 HB2 GLU A 45 -11.793 -0.607 5.448 1.00 71.02 H new ATOM 0 HB3 GLU A 45 -13.331 0.148 5.818 1.00 71.02 H new ATOM 0 HG2 GLU A 45 -12.948 -2.253 3.969 1.00 12.50 H new ATOM 0 HG3 GLU A 45 -13.503 -2.334 5.630 1.00 12.50 H new ATOM 721 N HIS A 46 -10.710 1.967 4.460 1.00 52.54 N ATOM 722 CA HIS A 46 -9.974 3.225 4.755 1.00 43.02 C ATOM 723 C HIS A 46 -10.013 4.187 3.547 1.00 43.02 C ATOM 724 O HIS A 46 -9.913 5.411 3.695 1.00 1.13 O ATOM 725 CB HIS A 46 -8.509 2.904 5.145 1.00 33.45 C ATOM 726 CG HIS A 46 -7.678 4.103 5.530 1.00 13.30 C ATOM 727 ND1 HIS A 46 -6.665 4.602 4.740 1.00 53.04 N ATOM 728 CD2 HIS A 46 -7.693 4.878 6.642 1.00 45.42 C ATOM 729 CE1 HIS A 46 -6.094 5.621 5.350 1.00 61.24 C ATOM 730 NE2 HIS A 46 -6.699 5.807 6.499 1.00 52.24 N ATOM 0 H HIS A 46 -10.116 1.138 4.458 1.00 52.54 H new ATOM 0 HA HIS A 46 -10.463 3.720 5.594 1.00 43.02 H new ATOM 0 HB2 HIS A 46 -8.516 2.202 5.979 1.00 33.45 H new ATOM 0 HB3 HIS A 46 -8.027 2.400 4.307 1.00 33.45 H new ATOM 0 HD1 HIS A 46 -6.398 4.239 3.825 1.00 53.04 H new ATOM 0 HD2 HIS A 46 -8.364 4.780 7.483 1.00 45.42 H new ATOM 0 HE1 HIS A 46 -5.268 6.204 4.969 1.00 61.24 H new ATOM 739 N ALA A 47 -10.168 3.587 2.368 1.00 13.02 N ATOM 740 CA ALA A 47 -10.274 4.280 1.089 1.00 34.44 C ATOM 741 C ALA A 47 -11.485 5.213 1.032 1.00 24.14 C ATOM 742 O ALA A 47 -11.383 6.324 0.523 1.00 75.42 O ATOM 743 CB ALA A 47 -10.370 3.247 -0.017 1.00 51.24 C ATOM 0 H ALA A 47 -10.225 2.573 2.276 1.00 13.02 H new ATOM 0 HA ALA A 47 -9.386 4.900 0.964 1.00 34.44 H new ATOM 0 HB1 ALA A 47 -10.450 3.751 -0.980 1.00 51.24 H new ATOM 0 HB2 ALA A 47 -9.478 2.621 -0.008 1.00 51.24 H new ATOM 0 HB3 ALA A 47 -11.251 2.625 0.141 1.00 51.24 H new ATOM 749 N ARG A 48 -12.622 4.733 1.565 1.00 0.32 N ATOM 750 CA ARG A 48 -13.892 5.484 1.568 1.00 73.42 C ATOM 751 C ARG A 48 -13.797 6.747 2.444 1.00 72.03 C ATOM 752 O ARG A 48 -14.481 7.738 2.188 1.00 62.25 O ATOM 753 CB ARG A 48 -15.046 4.578 2.062 1.00 43.14 C ATOM 754 CG ARG A 48 -15.279 3.325 1.198 1.00 5.33 C ATOM 755 CD ARG A 48 -16.428 2.445 1.723 1.00 61.11 C ATOM 756 NE ARG A 48 -16.749 1.360 0.786 1.00 14.44 N ATOM 757 CZ ARG A 48 -17.495 0.280 1.055 1.00 11.05 C ATOM 758 NH1 ARG A 48 -18.009 0.083 2.266 1.00 65.15 N ATOM 759 NH2 ARG A 48 -17.735 -0.598 0.094 1.00 32.03 N ATOM 0 H ARG A 48 -12.688 3.815 2.005 1.00 0.32 H new ATOM 0 HA ARG A 48 -14.096 5.800 0.545 1.00 73.42 H new ATOM 0 HB2 ARG A 48 -14.836 4.266 3.085 1.00 43.14 H new ATOM 0 HB3 ARG A 48 -15.966 5.163 2.090 1.00 43.14 H new ATOM 0 HG2 ARG A 48 -15.499 3.630 0.175 1.00 5.33 H new ATOM 0 HG3 ARG A 48 -14.362 2.736 1.165 1.00 5.33 H new ATOM 0 HD2 ARG A 48 -16.151 2.023 2.689 1.00 61.11 H new ATOM 0 HD3 ARG A 48 -17.313 3.060 1.886 1.00 61.11 H new ATOM 0 HE ARG A 48 -16.368 1.436 -0.157 1.00 14.44 H new ATOM 0 HH11 ARG A 48 -17.838 0.760 3.009 1.00 65.15 H new ATOM 0 HH12 ARG A 48 -18.574 -0.745 2.451 1.00 65.15 H new ATOM 0 HH21 ARG A 48 -17.353 -0.449 -0.840 1.00 32.03 H new ATOM 0 HH22 ARG A 48 -18.302 -1.424 0.288 1.00 32.03 H new ATOM 773 N GLU A 49 -12.929 6.683 3.468 1.00 31.24 N ATOM 774 CA GLU A 49 -12.684 7.792 4.413 1.00 11.55 C ATOM 775 C GLU A 49 -11.897 8.932 3.731 1.00 12.21 C ATOM 776 O GLU A 49 -12.208 10.110 3.917 1.00 63.10 O ATOM 777 CB GLU A 49 -11.924 7.251 5.654 1.00 42.23 C ATOM 778 CG GLU A 49 -12.695 6.160 6.431 1.00 41.43 C ATOM 779 CD GLU A 49 -11.886 5.515 7.567 1.00 43.55 C ATOM 780 OE1 GLU A 49 -11.575 6.208 8.563 1.00 23.33 O ATOM 781 OE2 GLU A 49 -11.561 4.312 7.482 1.00 73.33 O ATOM 0 H GLU A 49 -12.371 5.853 3.667 1.00 31.24 H new ATOM 0 HA GLU A 49 -13.639 8.206 4.736 1.00 11.55 H new ATOM 0 HB2 GLU A 49 -10.965 6.846 5.333 1.00 42.23 H new ATOM 0 HB3 GLU A 49 -11.710 8.081 6.328 1.00 42.23 H new ATOM 0 HG2 GLU A 49 -13.603 6.597 6.847 1.00 41.43 H new ATOM 0 HG3 GLU A 49 -13.007 5.383 5.733 1.00 41.43 H new ATOM 788 N LEU A 50 -10.884 8.555 2.923 1.00 13.35 N ATOM 789 CA LEU A 50 -10.045 9.513 2.162 1.00 1.44 C ATOM 790 C LEU A 50 -10.796 10.042 0.923 1.00 4.20 C ATOM 791 O LEU A 50 -10.542 11.159 0.462 1.00 34.23 O ATOM 792 CB LEU A 50 -8.711 8.837 1.739 1.00 44.42 C ATOM 793 CG LEU A 50 -7.855 8.232 2.894 1.00 64.14 C ATOM 794 CD1 LEU A 50 -6.555 7.611 2.352 1.00 63.11 C ATOM 795 CD2 LEU A 50 -7.563 9.281 3.987 1.00 14.44 C ATOM 0 H LEU A 50 -10.623 7.580 2.778 1.00 13.35 H new ATOM 0 HA LEU A 50 -9.822 10.361 2.809 1.00 1.44 H new ATOM 0 HB2 LEU A 50 -8.939 8.043 1.028 1.00 44.42 H new ATOM 0 HB3 LEU A 50 -8.105 9.573 1.211 1.00 44.42 H new ATOM 0 HG LEU A 50 -8.437 7.434 3.355 1.00 64.14 H new ATOM 0 HD11 LEU A 50 -5.978 7.197 3.178 1.00 63.11 H new ATOM 0 HD12 LEU A 50 -6.798 6.817 1.645 1.00 63.11 H new ATOM 0 HD13 LEU A 50 -5.968 8.379 1.848 1.00 63.11 H new ATOM 0 HD21 LEU A 50 -6.965 8.827 4.777 1.00 14.44 H new ATOM 0 HD22 LEU A 50 -7.015 10.117 3.552 1.00 14.44 H new ATOM 0 HD23 LEU A 50 -8.503 9.642 4.406 1.00 14.44 H new ATOM 807 N GLN A 51 -11.715 9.206 0.407 1.00 4.34 N ATOM 808 CA GLN A 51 -12.583 9.526 -0.744 1.00 52.31 C ATOM 809 C GLN A 51 -13.667 10.540 -0.334 1.00 23.21 C ATOM 810 O GLN A 51 -14.062 11.397 -1.131 1.00 45.34 O ATOM 811 CB GLN A 51 -13.232 8.225 -1.283 1.00 52.02 C ATOM 812 CG GLN A 51 -14.226 8.412 -2.452 1.00 72.42 C ATOM 813 CD GLN A 51 -14.872 7.114 -2.951 1.00 52.40 C ATOM 814 OE1 GLN A 51 -15.195 6.982 -4.135 1.00 45.22 O ATOM 815 NE2 GLN A 51 -15.104 6.163 -2.057 1.00 41.44 N ATOM 0 H GLN A 51 -11.879 8.272 0.784 1.00 4.34 H new ATOM 0 HA GLN A 51 -11.979 9.975 -1.533 1.00 52.31 H new ATOM 0 HB2 GLN A 51 -12.439 7.552 -1.608 1.00 52.02 H new ATOM 0 HB3 GLN A 51 -13.752 7.732 -0.462 1.00 52.02 H new ATOM 0 HG2 GLN A 51 -15.013 9.097 -2.137 1.00 72.42 H new ATOM 0 HG3 GLN A 51 -13.705 8.886 -3.283 1.00 72.42 H new ATOM 0 HE21 GLN A 51 -14.827 6.298 -1.085 1.00 41.44 H new ATOM 0 HE22 GLN A 51 -15.560 5.296 -2.341 1.00 41.44 H new ATOM 824 N LYS A 52 -14.141 10.411 0.921 1.00 44.52 N ATOM 825 CA LYS A 52 -15.093 11.358 1.538 1.00 55.33 C ATOM 826 C LYS A 52 -14.440 12.747 1.662 1.00 63.42 C ATOM 827 O LYS A 52 -15.068 13.778 1.402 1.00 31.15 O ATOM 828 CB LYS A 52 -15.537 10.828 2.932 1.00 71.13 C ATOM 829 CG LYS A 52 -16.408 11.810 3.758 1.00 71.11 C ATOM 830 CD LYS A 52 -16.871 11.217 5.110 1.00 24.24 C ATOM 831 CE LYS A 52 -17.618 12.243 5.989 1.00 51.44 C ATOM 832 NZ LYS A 52 -18.854 12.767 5.343 1.00 20.01 N ATOM 0 H LYS A 52 -13.874 9.644 1.538 1.00 44.52 H new ATOM 0 HA LYS A 52 -15.977 11.448 0.907 1.00 55.33 H new ATOM 0 HB2 LYS A 52 -16.094 9.902 2.792 1.00 71.13 H new ATOM 0 HB3 LYS A 52 -14.647 10.580 3.510 1.00 71.13 H new ATOM 0 HG2 LYS A 52 -15.841 12.722 3.943 1.00 71.11 H new ATOM 0 HG3 LYS A 52 -17.283 12.092 3.172 1.00 71.11 H new ATOM 0 HD2 LYS A 52 -17.522 10.363 4.923 1.00 24.24 H new ATOM 0 HD3 LYS A 52 -16.003 10.843 5.654 1.00 24.24 H new ATOM 0 HE2 LYS A 52 -17.880 11.778 6.939 1.00 51.44 H new ATOM 0 HE3 LYS A 52 -16.951 13.075 6.214 1.00 51.44 H new ATOM 0 HZ1 LYS A 52 -19.314 13.451 5.977 1.00 20.01 H new ATOM 0 HZ2 LYS A 52 -18.606 13.237 4.449 1.00 20.01 H new ATOM 0 HZ3 LYS A 52 -19.506 11.980 5.151 1.00 20.01 H new ATOM 846 N GLN A 53 -13.159 12.741 2.047 1.00 70.42 N ATOM 847 CA GLN A 53 -12.342 13.957 2.189 1.00 32.14 C ATOM 848 C GLN A 53 -11.730 14.361 0.835 1.00 14.15 C ATOM 849 O GLN A 53 -11.908 13.667 -0.174 1.00 12.40 O ATOM 850 CB GLN A 53 -11.227 13.709 3.239 1.00 31.33 C ATOM 851 CG GLN A 53 -11.763 13.303 4.619 1.00 4.54 C ATOM 852 CD GLN A 53 -10.657 12.981 5.618 1.00 32.14 C ATOM 853 OE1 GLN A 53 -10.185 13.855 6.349 1.00 11.34 O ATOM 854 NE2 GLN A 53 -10.209 11.733 5.636 1.00 0.41 N ATOM 0 H GLN A 53 -12.653 11.884 2.272 1.00 70.42 H new ATOM 0 HA GLN A 53 -12.977 14.776 2.527 1.00 32.14 H new ATOM 0 HB2 GLN A 53 -10.561 12.927 2.872 1.00 31.33 H new ATOM 0 HB3 GLN A 53 -10.629 14.614 3.343 1.00 31.33 H new ATOM 0 HG2 GLN A 53 -12.379 14.110 5.015 1.00 4.54 H new ATOM 0 HG3 GLN A 53 -12.410 12.433 4.509 1.00 4.54 H new ATOM 0 HE21 GLN A 53 -10.622 11.034 5.018 1.00 0.41 H new ATOM 0 HE22 GLN A 53 -9.452 11.472 6.268 1.00 0.41 H new ATOM 863 N GLY A 54 -10.993 15.488 0.834 1.00 73.13 N ATOM 864 CA GLY A 54 -10.306 15.997 -0.358 1.00 0.13 C ATOM 865 C GLY A 54 -8.812 15.734 -0.300 1.00 31.52 C ATOM 866 O GLY A 54 -8.013 16.525 -0.819 1.00 30.33 O ATOM 0 H GLY A 54 -10.860 16.068 1.662 1.00 73.13 H new ATOM 0 HA2 GLY A 54 -10.724 15.526 -1.248 1.00 0.13 H new ATOM 0 HA3 GLY A 54 -10.484 17.068 -0.451 1.00 0.13 H new ATOM 870 N ILE A 55 -8.442 14.594 0.321 1.00 33.54 N ATOM 871 CA ILE A 55 -7.045 14.176 0.472 1.00 65.14 C ATOM 872 C ILE A 55 -6.580 13.493 -0.826 1.00 71.44 C ATOM 873 O ILE A 55 -6.791 12.294 -1.037 1.00 33.11 O ATOM 874 CB ILE A 55 -6.839 13.229 1.720 1.00 35.23 C ATOM 875 CG1 ILE A 55 -7.367 13.926 3.014 1.00 55.23 C ATOM 876 CG2 ILE A 55 -5.345 12.819 1.876 1.00 61.41 C ATOM 877 CD1 ILE A 55 -7.269 13.095 4.283 1.00 41.52 C ATOM 0 H ILE A 55 -9.110 13.941 0.730 1.00 33.54 H new ATOM 0 HA ILE A 55 -6.437 15.062 0.655 1.00 65.14 H new ATOM 0 HB ILE A 55 -7.412 12.316 1.558 1.00 35.23 H new ATOM 0 HG12 ILE A 55 -6.811 14.852 3.161 1.00 55.23 H new ATOM 0 HG13 ILE A 55 -8.410 14.202 2.859 1.00 55.23 H new ATOM 0 HG21 ILE A 55 -5.235 12.168 2.743 1.00 61.41 H new ATOM 0 HG22 ILE A 55 -5.017 12.290 0.981 1.00 61.41 H new ATOM 0 HG23 ILE A 55 -4.735 13.712 2.013 1.00 61.41 H new ATOM 0 HD11 ILE A 55 -7.661 13.667 5.124 1.00 41.52 H new ATOM 0 HD12 ILE A 55 -7.850 12.180 4.165 1.00 41.52 H new ATOM 0 HD13 ILE A 55 -6.226 12.841 4.472 1.00 41.52 H new ATOM 889 N HIS A 56 -6.043 14.316 -1.732 1.00 32.31 N ATOM 890 CA HIS A 56 -5.376 13.854 -2.960 1.00 5.22 C ATOM 891 C HIS A 56 -3.928 13.494 -2.611 1.00 13.24 C ATOM 892 O HIS A 56 -3.294 14.226 -1.867 1.00 53.11 O ATOM 893 CB HIS A 56 -5.392 14.966 -4.043 1.00 23.32 C ATOM 894 CG HIS A 56 -6.748 15.288 -4.611 1.00 53.41 C ATOM 895 ND1 HIS A 56 -6.993 15.358 -5.968 1.00 14.15 N ATOM 896 CD2 HIS A 56 -7.928 15.578 -4.010 1.00 44.23 C ATOM 897 CE1 HIS A 56 -8.252 15.673 -6.170 1.00 3.24 C ATOM 898 NE2 HIS A 56 -8.839 15.811 -5.001 1.00 10.32 N ATOM 0 H HIS A 56 -6.058 15.331 -1.636 1.00 32.31 H new ATOM 0 HA HIS A 56 -5.902 12.986 -3.358 1.00 5.22 H new ATOM 0 HB2 HIS A 56 -4.970 15.875 -3.614 1.00 23.32 H new ATOM 0 HB3 HIS A 56 -4.736 14.665 -4.860 1.00 23.32 H new ATOM 0 HD2 HIS A 56 -8.113 15.617 -2.947 1.00 44.23 H new ATOM 0 HE1 HIS A 56 -8.725 15.798 -7.133 1.00 3.24 H new ATOM 0 HE2 HIS A 56 -9.819 16.054 -4.857 1.00 10.32 H new ATOM 907 N PHE A 57 -3.425 12.364 -3.120 1.00 31.34 N ATOM 908 CA PHE A 57 -2.022 11.944 -2.917 1.00 21.24 C ATOM 909 C PHE A 57 -1.538 11.171 -4.144 1.00 51.51 C ATOM 910 O PHE A 57 -2.296 10.388 -4.734 1.00 33.41 O ATOM 911 CB PHE A 57 -1.858 11.121 -1.605 1.00 24.41 C ATOM 912 CG PHE A 57 -2.873 9.997 -1.429 1.00 64.51 C ATOM 913 CD1 PHE A 57 -2.615 8.707 -1.890 1.00 45.14 C ATOM 914 CD2 PHE A 57 -4.106 10.244 -0.820 1.00 51.22 C ATOM 915 CE1 PHE A 57 -3.541 7.709 -1.742 1.00 71.42 C ATOM 916 CE2 PHE A 57 -5.031 9.240 -0.672 1.00 14.42 C ATOM 917 CZ PHE A 57 -4.749 7.979 -1.138 1.00 71.41 C ATOM 0 H PHE A 57 -3.972 11.713 -3.683 1.00 31.34 H new ATOM 0 HA PHE A 57 -1.399 12.831 -2.802 1.00 21.24 H new ATOM 0 HB2 PHE A 57 -0.855 10.694 -1.583 1.00 24.41 H new ATOM 0 HB3 PHE A 57 -1.935 11.799 -0.755 1.00 24.41 H new ATOM 0 HD1 PHE A 57 -1.672 8.492 -2.370 1.00 45.14 H new ATOM 0 HD2 PHE A 57 -4.334 11.237 -0.461 1.00 51.22 H new ATOM 0 HE1 PHE A 57 -3.325 6.713 -2.098 1.00 71.42 H new ATOM 0 HE2 PHE A 57 -5.977 9.441 -0.191 1.00 14.42 H new ATOM 0 HZ PHE A 57 -5.481 7.192 -1.030 1.00 71.41 H new ATOM 927 N GLU A 58 -0.282 11.418 -4.534 1.00 51.50 N ATOM 928 CA GLU A 58 0.333 10.859 -5.750 1.00 31.25 C ATOM 929 C GLU A 58 1.724 10.306 -5.416 1.00 72.41 C ATOM 930 O GLU A 58 2.517 10.997 -4.768 1.00 14.31 O ATOM 931 CB GLU A 58 0.442 11.971 -6.833 1.00 32.15 C ATOM 932 CG GLU A 58 -0.919 12.539 -7.303 1.00 62.14 C ATOM 933 CD GLU A 58 -0.787 13.743 -8.250 1.00 10.04 C ATOM 934 OE1 GLU A 58 -0.705 13.550 -9.482 1.00 50.55 O ATOM 935 OE2 GLU A 58 -0.758 14.893 -7.757 1.00 13.53 O ATOM 0 H GLU A 58 0.349 12.022 -4.007 1.00 51.50 H new ATOM 0 HA GLU A 58 -0.286 10.048 -6.134 1.00 31.25 H new ATOM 0 HB2 GLU A 58 1.046 12.788 -6.439 1.00 32.15 H new ATOM 0 HB3 GLU A 58 0.973 11.570 -7.697 1.00 32.15 H new ATOM 0 HG2 GLU A 58 -1.478 11.751 -7.806 1.00 62.14 H new ATOM 0 HG3 GLU A 58 -1.501 12.835 -6.430 1.00 62.14 H new ATOM 942 N VAL A 59 1.995 9.060 -5.853 1.00 22.13 N ATOM 943 CA VAL A 59 3.308 8.407 -5.709 1.00 51.21 C ATOM 944 C VAL A 59 4.370 9.190 -6.514 1.00 54.40 C ATOM 945 O VAL A 59 4.410 9.123 -7.750 1.00 53.03 O ATOM 946 CB VAL A 59 3.252 6.890 -6.167 1.00 23.23 C ATOM 947 CG1 VAL A 59 4.657 6.229 -6.178 1.00 3.54 C ATOM 948 CG2 VAL A 59 2.263 6.083 -5.283 1.00 24.03 C ATOM 0 H VAL A 59 1.302 8.475 -6.320 1.00 22.13 H new ATOM 0 HA VAL A 59 3.586 8.415 -4.655 1.00 51.21 H new ATOM 0 HB VAL A 59 2.886 6.876 -7.194 1.00 23.23 H new ATOM 0 HG11 VAL A 59 4.568 5.191 -6.498 1.00 3.54 H new ATOM 0 HG12 VAL A 59 5.307 6.767 -6.868 1.00 3.54 H new ATOM 0 HG13 VAL A 59 5.084 6.264 -5.176 1.00 3.54 H new ATOM 0 HG21 VAL A 59 2.241 5.045 -5.616 1.00 24.03 H new ATOM 0 HG22 VAL A 59 2.588 6.124 -4.243 1.00 24.03 H new ATOM 0 HG23 VAL A 59 1.265 6.512 -5.369 1.00 24.03 H new ATOM 958 N LYS A 60 5.176 9.981 -5.793 1.00 4.24 N ATOM 959 CA LYS A 60 6.247 10.808 -6.379 1.00 12.21 C ATOM 960 C LYS A 60 7.522 9.992 -6.569 1.00 63.21 C ATOM 961 O LYS A 60 8.253 10.183 -7.544 1.00 24.22 O ATOM 962 CB LYS A 60 6.535 12.036 -5.473 1.00 62.31 C ATOM 963 CG LYS A 60 5.309 12.930 -5.209 1.00 40.31 C ATOM 964 CD LYS A 60 4.662 13.502 -6.496 1.00 44.22 C ATOM 965 CE LYS A 60 5.578 14.479 -7.254 1.00 11.22 C ATOM 966 NZ LYS A 60 4.925 15.022 -8.474 1.00 32.10 N ATOM 0 H LYS A 60 5.105 10.068 -4.779 1.00 4.24 H new ATOM 0 HA LYS A 60 5.911 11.156 -7.356 1.00 12.21 H new ATOM 0 HB2 LYS A 60 6.926 11.685 -4.518 1.00 62.31 H new ATOM 0 HB3 LYS A 60 7.317 12.639 -5.935 1.00 62.31 H new ATOM 0 HG2 LYS A 60 4.562 12.354 -4.663 1.00 40.31 H new ATOM 0 HG3 LYS A 60 5.606 13.757 -4.565 1.00 40.31 H new ATOM 0 HD2 LYS A 60 4.395 12.678 -7.157 1.00 44.22 H new ATOM 0 HD3 LYS A 60 3.736 14.013 -6.233 1.00 44.22 H new ATOM 0 HE2 LYS A 60 5.855 15.301 -6.595 1.00 11.22 H new ATOM 0 HE3 LYS A 60 6.500 13.969 -7.533 1.00 11.22 H new ATOM 0 HZ1 LYS A 60 5.576 15.675 -8.955 1.00 32.10 H new ATOM 0 HZ2 LYS A 60 4.683 14.240 -9.116 1.00 32.10 H new ATOM 0 HZ3 LYS A 60 4.058 15.531 -8.207 1.00 32.10 H new ATOM 980 N ARG A 61 7.766 9.071 -5.635 1.00 70.13 N ATOM 981 CA ARG A 61 9.012 8.302 -5.576 1.00 12.24 C ATOM 982 C ARG A 61 8.749 6.989 -4.842 1.00 54.24 C ATOM 983 O ARG A 61 8.246 7.013 -3.735 1.00 4.20 O ATOM 984 CB ARG A 61 10.094 9.156 -4.842 1.00 13.31 C ATOM 985 CG ARG A 61 11.446 8.455 -4.570 1.00 52.34 C ATOM 986 CD ARG A 61 12.468 9.399 -3.904 1.00 74.45 C ATOM 987 NE ARG A 61 13.720 8.703 -3.590 1.00 62.32 N ATOM 988 CZ ARG A 61 14.924 9.278 -3.432 1.00 14.54 C ATOM 989 NH1 ARG A 61 15.087 10.594 -3.563 1.00 0.22 N ATOM 990 NH2 ARG A 61 15.965 8.518 -3.132 1.00 30.35 N ATOM 0 H ARG A 61 7.104 8.836 -4.896 1.00 70.13 H new ATOM 0 HA ARG A 61 9.375 8.069 -6.577 1.00 12.24 H new ATOM 0 HB2 ARG A 61 10.285 10.051 -5.435 1.00 13.31 H new ATOM 0 HB3 ARG A 61 9.681 9.487 -3.889 1.00 13.31 H new ATOM 0 HG2 ARG A 61 11.282 7.589 -3.928 1.00 52.34 H new ATOM 0 HG3 ARG A 61 11.856 8.083 -5.509 1.00 52.34 H new ATOM 0 HD2 ARG A 61 12.674 10.239 -4.567 1.00 74.45 H new ATOM 0 HD3 ARG A 61 12.041 9.812 -2.990 1.00 74.45 H new ATOM 0 HE ARG A 61 13.672 7.690 -3.482 1.00 62.32 H new ATOM 0 HH11 ARG A 61 14.288 11.187 -3.788 1.00 0.22 H new ATOM 0 HH12 ARG A 61 16.011 11.008 -3.438 1.00 0.22 H new ATOM 0 HH21 ARG A 61 15.847 7.511 -3.024 1.00 30.35 H new ATOM 0 HH22 ARG A 61 16.886 8.940 -3.009 1.00 30.35 H new ATOM 1004 N VAL A 62 9.078 5.849 -5.467 1.00 35.22 N ATOM 1005 CA VAL A 62 8.899 4.512 -4.861 1.00 21.41 C ATOM 1006 C VAL A 62 10.236 3.738 -4.893 1.00 74.33 C ATOM 1007 O VAL A 62 10.881 3.629 -5.946 1.00 44.20 O ATOM 1008 CB VAL A 62 7.739 3.701 -5.573 1.00 40.31 C ATOM 1009 CG1 VAL A 62 7.953 3.589 -7.099 1.00 0.13 C ATOM 1010 CG2 VAL A 62 7.524 2.305 -4.921 1.00 2.51 C ATOM 0 H VAL A 62 9.476 5.823 -6.406 1.00 35.22 H new ATOM 0 HA VAL A 62 8.599 4.640 -3.821 1.00 21.41 H new ATOM 0 HB VAL A 62 6.823 4.273 -5.424 1.00 40.31 H new ATOM 0 HG11 VAL A 62 7.132 3.025 -7.541 1.00 0.13 H new ATOM 0 HG12 VAL A 62 7.984 4.587 -7.536 1.00 0.13 H new ATOM 0 HG13 VAL A 62 8.894 3.076 -7.298 1.00 0.13 H new ATOM 0 HG21 VAL A 62 6.720 1.782 -5.439 1.00 2.51 H new ATOM 0 HG22 VAL A 62 8.443 1.723 -4.995 1.00 2.51 H new ATOM 0 HG23 VAL A 62 7.258 2.431 -3.871 1.00 2.51 H new ATOM 1020 N GLU A 63 10.669 3.255 -3.720 1.00 11.41 N ATOM 1021 CA GLU A 63 11.905 2.464 -3.545 1.00 43.21 C ATOM 1022 C GLU A 63 11.610 1.277 -2.619 1.00 54.22 C ATOM 1023 O GLU A 63 11.111 1.473 -1.516 1.00 2.12 O ATOM 1024 CB GLU A 63 13.039 3.339 -2.944 1.00 51.01 C ATOM 1025 CG GLU A 63 13.485 4.507 -3.846 1.00 50.24 C ATOM 1026 CD GLU A 63 14.647 5.317 -3.258 1.00 62.25 C ATOM 1027 OE1 GLU A 63 15.797 5.187 -3.736 1.00 53.33 O ATOM 1028 OE2 GLU A 63 14.410 6.088 -2.310 1.00 71.42 O ATOM 0 H GLU A 63 10.163 3.404 -2.847 1.00 11.41 H new ATOM 0 HA GLU A 63 12.238 2.102 -4.518 1.00 43.21 H new ATOM 0 HB2 GLU A 63 12.704 3.741 -1.988 1.00 51.01 H new ATOM 0 HB3 GLU A 63 13.901 2.705 -2.738 1.00 51.01 H new ATOM 0 HG2 GLU A 63 13.781 4.114 -4.819 1.00 50.24 H new ATOM 0 HG3 GLU A 63 12.637 5.171 -4.015 1.00 50.24 H new ATOM 1035 N VAL A 64 11.908 0.051 -3.072 1.00 74.24 N ATOM 1036 CA VAL A 64 11.659 -1.185 -2.297 1.00 71.23 C ATOM 1037 C VAL A 64 12.992 -1.845 -1.879 1.00 4.41 C ATOM 1038 O VAL A 64 13.930 -1.935 -2.678 1.00 75.02 O ATOM 1039 CB VAL A 64 10.758 -2.193 -3.118 1.00 71.25 C ATOM 1040 CG1 VAL A 64 11.388 -2.558 -4.482 1.00 51.22 C ATOM 1041 CG2 VAL A 64 10.424 -3.459 -2.295 1.00 25.01 C ATOM 0 H VAL A 64 12.329 -0.118 -3.986 1.00 74.24 H new ATOM 0 HA VAL A 64 11.117 -0.916 -1.390 1.00 71.23 H new ATOM 0 HB VAL A 64 9.820 -1.679 -3.326 1.00 71.25 H new ATOM 0 HG11 VAL A 64 10.735 -3.252 -5.010 1.00 51.22 H new ATOM 0 HG12 VAL A 64 11.515 -1.654 -5.078 1.00 51.22 H new ATOM 0 HG13 VAL A 64 12.359 -3.026 -4.321 1.00 51.22 H new ATOM 0 HG21 VAL A 64 9.804 -4.128 -2.892 1.00 25.01 H new ATOM 0 HG22 VAL A 64 11.348 -3.969 -2.021 1.00 25.01 H new ATOM 0 HG23 VAL A 64 9.885 -3.174 -1.392 1.00 25.01 H new ATOM 1051 N THR A 65 13.074 -2.270 -0.606 1.00 43.21 N ATOM 1052 CA THR A 65 14.228 -3.005 -0.052 1.00 22.11 C ATOM 1053 C THR A 65 13.723 -4.017 0.988 1.00 11.33 C ATOM 1054 O THR A 65 12.948 -3.654 1.873 1.00 33.13 O ATOM 1055 CB THR A 65 15.271 -2.034 0.611 1.00 51.11 C ATOM 1056 OG1 THR A 65 15.702 -1.054 -0.347 1.00 50.25 O ATOM 1057 CG2 THR A 65 16.502 -2.791 1.159 1.00 24.04 C ATOM 0 H THR A 65 12.333 -2.112 0.076 1.00 43.21 H new ATOM 0 HA THR A 65 14.733 -3.521 -0.869 1.00 22.11 H new ATOM 0 HB THR A 65 14.776 -1.547 1.451 1.00 51.11 H new ATOM 0 HG1 THR A 65 16.351 -0.450 0.072 1.00 50.25 H new ATOM 0 HG21 THR A 65 17.196 -2.080 1.608 1.00 24.04 H new ATOM 0 HG22 THR A 65 16.181 -3.510 1.912 1.00 24.04 H new ATOM 0 HG23 THR A 65 16.998 -3.317 0.343 1.00 24.04 H new ATOM 1065 N THR A 66 14.163 -5.280 0.886 1.00 12.14 N ATOM 1066 CA THR A 66 13.773 -6.335 1.836 1.00 43.12 C ATOM 1067 C THR A 66 14.739 -6.364 3.032 1.00 71.24 C ATOM 1068 O THR A 66 15.922 -6.043 2.890 1.00 53.04 O ATOM 1069 CB THR A 66 13.747 -7.735 1.138 1.00 13.11 C ATOM 1070 OG1 THR A 66 15.041 -8.057 0.591 1.00 25.44 O ATOM 1071 CG2 THR A 66 12.701 -7.769 0.012 1.00 2.51 C ATOM 0 H THR A 66 14.794 -5.598 0.150 1.00 12.14 H new ATOM 0 HA THR A 66 12.769 -6.109 2.195 1.00 43.12 H new ATOM 0 HB THR A 66 13.481 -8.473 1.895 1.00 13.11 H new ATOM 0 HG1 THR A 66 15.004 -8.937 0.160 1.00 25.44 H new ATOM 0 HG21 THR A 66 12.703 -8.753 -0.457 1.00 2.51 H new ATOM 0 HG22 THR A 66 11.713 -7.567 0.427 1.00 2.51 H new ATOM 0 HG23 THR A 66 12.944 -7.011 -0.733 1.00 2.51 H new ATOM 1079 N ASP A 67 14.218 -6.754 4.196 1.00 62.33 N ATOM 1080 CA ASP A 67 14.984 -6.885 5.448 1.00 32.13 C ATOM 1081 C ASP A 67 14.676 -8.270 6.033 1.00 24.33 C ATOM 1082 O ASP A 67 13.636 -8.467 6.681 1.00 2.32 O ATOM 1083 CB ASP A 67 14.602 -5.739 6.424 1.00 34.42 C ATOM 1084 CG ASP A 67 15.323 -5.807 7.786 1.00 71.35 C ATOM 1085 OD1 ASP A 67 14.714 -6.258 8.782 1.00 21.14 O ATOM 1086 OD2 ASP A 67 16.499 -5.389 7.871 1.00 12.41 O ATOM 0 H ASP A 67 13.232 -6.994 4.303 1.00 62.33 H new ATOM 0 HA ASP A 67 16.056 -6.801 5.270 1.00 32.13 H new ATOM 0 HB2 ASP A 67 14.829 -4.783 5.952 1.00 34.42 H new ATOM 0 HB3 ASP A 67 13.525 -5.763 6.593 1.00 34.42 H new ATOM 1091 N GLY A 68 15.565 -9.232 5.737 1.00 65.12 N ATOM 1092 CA GLY A 68 15.331 -10.641 6.016 1.00 51.03 C ATOM 1093 C GLY A 68 14.250 -11.206 5.103 1.00 34.04 C ATOM 1094 O GLY A 68 14.498 -11.470 3.921 1.00 31.14 O ATOM 0 H GLY A 68 16.466 -9.044 5.297 1.00 65.12 H new ATOM 0 HA2 GLY A 68 16.256 -11.201 5.880 1.00 51.03 H new ATOM 0 HA3 GLY A 68 15.034 -10.765 7.057 1.00 51.03 H new ATOM 1098 N ASN A 69 13.039 -11.356 5.651 1.00 71.14 N ATOM 1099 CA ASN A 69 11.847 -11.823 4.908 1.00 43.51 C ATOM 1100 C ASN A 69 10.781 -10.710 4.849 1.00 14.24 C ATOM 1101 O ASN A 69 9.849 -10.776 4.046 1.00 73.45 O ATOM 1102 CB ASN A 69 11.252 -13.075 5.619 1.00 42.31 C ATOM 1103 CG ASN A 69 12.250 -14.225 5.781 1.00 4.11 C ATOM 1104 OD1 ASN A 69 13.071 -14.498 4.902 1.00 60.13 O ATOM 1105 ND2 ASN A 69 12.202 -14.889 6.927 1.00 62.30 N ATOM 0 H ASN A 69 12.849 -11.156 6.633 1.00 71.14 H new ATOM 0 HA ASN A 69 12.143 -12.081 3.891 1.00 43.51 H new ATOM 0 HB2 ASN A 69 10.886 -12.783 6.603 1.00 42.31 H new ATOM 0 HB3 ASN A 69 10.392 -13.430 5.051 1.00 42.31 H new ATOM 0 HD21 ASN A 69 12.857 -15.651 7.103 1.00 62.30 H new ATOM 0 HD22 ASN A 69 11.510 -14.638 7.633 1.00 62.30 H new ATOM 1112 N THR A 70 10.965 -9.668 5.677 1.00 33.40 N ATOM 1113 CA THR A 70 9.991 -8.584 5.847 1.00 75.45 C ATOM 1114 C THR A 70 10.390 -7.388 4.961 1.00 21.24 C ATOM 1115 O THR A 70 11.467 -6.807 5.130 1.00 24.12 O ATOM 1116 CB THR A 70 9.916 -8.177 7.353 1.00 21.43 C ATOM 1117 OG1 THR A 70 9.656 -9.352 8.149 1.00 34.55 O ATOM 1118 CG2 THR A 70 8.822 -7.133 7.628 1.00 33.35 C ATOM 0 H THR A 70 11.801 -9.556 6.250 1.00 33.40 H new ATOM 0 HA THR A 70 9.002 -8.921 5.538 1.00 75.45 H new ATOM 0 HB THR A 70 10.873 -7.728 7.618 1.00 21.43 H new ATOM 0 HG1 THR A 70 9.610 -9.102 9.096 1.00 34.55 H new ATOM 0 HG21 THR A 70 8.813 -6.886 8.690 1.00 33.35 H new ATOM 0 HG22 THR A 70 9.024 -6.233 7.048 1.00 33.35 H new ATOM 0 HG23 THR A 70 7.852 -7.539 7.342 1.00 33.35 H new ATOM 1126 N VAL A 71 9.503 -7.021 4.029 1.00 40.03 N ATOM 1127 CA VAL A 71 9.789 -6.034 2.972 1.00 63.20 C ATOM 1128 C VAL A 71 9.475 -4.613 3.465 1.00 54.51 C ATOM 1129 O VAL A 71 8.548 -4.419 4.234 1.00 53.53 O ATOM 1130 CB VAL A 71 8.950 -6.347 1.681 1.00 15.43 C ATOM 1131 CG1 VAL A 71 9.361 -5.438 0.500 1.00 71.01 C ATOM 1132 CG2 VAL A 71 9.064 -7.838 1.302 1.00 72.14 C ATOM 0 H VAL A 71 8.558 -7.402 3.984 1.00 40.03 H new ATOM 0 HA VAL A 71 10.849 -6.098 2.726 1.00 63.20 H new ATOM 0 HB VAL A 71 7.905 -6.133 1.906 1.00 15.43 H new ATOM 0 HG11 VAL A 71 8.759 -5.684 -0.375 1.00 71.01 H new ATOM 0 HG12 VAL A 71 9.199 -4.395 0.770 1.00 71.01 H new ATOM 0 HG13 VAL A 71 10.415 -5.594 0.271 1.00 71.01 H new ATOM 0 HG21 VAL A 71 8.475 -8.032 0.405 1.00 72.14 H new ATOM 0 HG22 VAL A 71 10.108 -8.086 1.111 1.00 72.14 H new ATOM 0 HG23 VAL A 71 8.689 -8.451 2.121 1.00 72.14 H new ATOM 1142 N ASN A 72 10.283 -3.635 3.028 1.00 2.55 N ATOM 1143 CA ASN A 72 10.146 -2.210 3.390 1.00 41.22 C ATOM 1144 C ASN A 72 10.033 -1.382 2.109 1.00 50.23 C ATOM 1145 O ASN A 72 11.038 -1.183 1.413 1.00 13.40 O ATOM 1146 CB ASN A 72 11.373 -1.746 4.224 1.00 40.50 C ATOM 1147 CG ASN A 72 11.525 -2.515 5.533 1.00 30.23 C ATOM 1148 OD1 ASN A 72 11.060 -2.073 6.581 1.00 22.20 O ATOM 1149 ND2 ASN A 72 12.140 -3.689 5.477 1.00 73.14 N ATOM 0 H ASN A 72 11.067 -3.813 2.400 1.00 2.55 H new ATOM 0 HA ASN A 72 9.250 -2.071 3.995 1.00 41.22 H new ATOM 0 HB2 ASN A 72 12.278 -1.869 3.629 1.00 40.50 H new ATOM 0 HB3 ASN A 72 11.277 -0.682 4.442 1.00 40.50 H new ATOM 0 HD21 ASN A 72 12.238 -4.254 6.320 1.00 73.14 H new ATOM 0 HD22 ASN A 72 12.515 -4.027 4.590 1.00 73.14 H new ATOM 1156 N VAL A 73 8.814 -0.952 1.760 1.00 72.23 N ATOM 1157 CA VAL A 73 8.591 -0.087 0.593 1.00 63.44 C ATOM 1158 C VAL A 73 8.511 1.377 1.060 1.00 60.32 C ATOM 1159 O VAL A 73 7.503 1.809 1.625 1.00 13.14 O ATOM 1160 CB VAL A 73 7.289 -0.486 -0.196 1.00 52.11 C ATOM 1161 CG1 VAL A 73 7.140 0.352 -1.491 1.00 71.40 C ATOM 1162 CG2 VAL A 73 7.277 -2.002 -0.506 1.00 43.31 C ATOM 0 H VAL A 73 7.964 -1.190 2.271 1.00 72.23 H new ATOM 0 HA VAL A 73 9.428 -0.213 -0.093 1.00 63.44 H new ATOM 0 HB VAL A 73 6.430 -0.266 0.439 1.00 52.11 H new ATOM 0 HG11 VAL A 73 6.232 0.054 -2.015 1.00 71.40 H new ATOM 0 HG12 VAL A 73 7.081 1.410 -1.235 1.00 71.40 H new ATOM 0 HG13 VAL A 73 8.003 0.182 -2.135 1.00 71.40 H new ATOM 0 HG21 VAL A 73 6.368 -2.255 -1.052 1.00 43.31 H new ATOM 0 HG22 VAL A 73 8.147 -2.256 -1.112 1.00 43.31 H new ATOM 0 HG23 VAL A 73 7.308 -2.564 0.427 1.00 43.31 H new ATOM 1172 N THR A 74 9.602 2.114 0.833 1.00 42.30 N ATOM 1173 CA THR A 74 9.721 3.534 1.162 1.00 52.44 C ATOM 1174 C THR A 74 9.242 4.368 -0.037 1.00 33.25 C ATOM 1175 O THR A 74 9.883 4.367 -1.098 1.00 73.01 O ATOM 1176 CB THR A 74 11.201 3.882 1.510 1.00 53.52 C ATOM 1177 OG1 THR A 74 11.670 2.994 2.540 1.00 53.40 O ATOM 1178 CG2 THR A 74 11.363 5.344 1.976 1.00 53.34 C ATOM 0 H THR A 74 10.445 1.730 0.406 1.00 42.30 H new ATOM 0 HA THR A 74 9.103 3.762 2.031 1.00 52.44 H new ATOM 0 HB THR A 74 11.792 3.760 0.603 1.00 53.52 H new ATOM 0 HG1 THR A 74 12.600 3.210 2.759 1.00 53.40 H new ATOM 0 HG21 THR A 74 12.410 5.538 2.207 1.00 53.34 H new ATOM 0 HG22 THR A 74 11.035 6.017 1.184 1.00 53.34 H new ATOM 0 HG23 THR A 74 10.758 5.511 2.867 1.00 53.34 H new ATOM 1186 N VAL A 75 8.118 5.065 0.133 1.00 63.20 N ATOM 1187 CA VAL A 75 7.444 5.784 -0.951 1.00 20.41 C ATOM 1188 C VAL A 75 7.066 7.217 -0.507 1.00 21.41 C ATOM 1189 O VAL A 75 6.354 7.411 0.478 1.00 21.42 O ATOM 1190 CB VAL A 75 6.190 4.966 -1.461 1.00 33.20 C ATOM 1191 CG1 VAL A 75 5.240 4.580 -0.308 1.00 63.41 C ATOM 1192 CG2 VAL A 75 5.439 5.711 -2.592 1.00 20.22 C ATOM 0 H VAL A 75 7.645 5.148 1.033 1.00 63.20 H new ATOM 0 HA VAL A 75 8.132 5.881 -1.791 1.00 20.41 H new ATOM 0 HB VAL A 75 6.572 4.036 -1.883 1.00 33.20 H new ATOM 0 HG11 VAL A 75 4.394 4.020 -0.706 1.00 63.41 H new ATOM 0 HG12 VAL A 75 5.776 3.964 0.414 1.00 63.41 H new ATOM 0 HG13 VAL A 75 4.878 5.483 0.183 1.00 63.41 H new ATOM 0 HG21 VAL A 75 4.584 5.116 -2.915 1.00 20.22 H new ATOM 0 HG22 VAL A 75 5.091 6.676 -2.223 1.00 20.22 H new ATOM 0 HG23 VAL A 75 6.112 5.866 -3.435 1.00 20.22 H new ATOM 1202 N GLU A 76 7.618 8.210 -1.215 1.00 63.41 N ATOM 1203 CA GLU A 76 7.271 9.624 -1.063 1.00 73.40 C ATOM 1204 C GLU A 76 5.969 9.909 -1.830 1.00 75.21 C ATOM 1205 O GLU A 76 5.846 9.516 -2.999 1.00 0.12 O ATOM 1206 CB GLU A 76 8.421 10.500 -1.631 1.00 41.34 C ATOM 1207 CG GLU A 76 8.227 12.024 -1.473 1.00 44.43 C ATOM 1208 CD GLU A 76 8.295 12.488 -0.009 1.00 64.50 C ATOM 1209 OE1 GLU A 76 9.413 12.765 0.482 1.00 52.11 O ATOM 1210 OE2 GLU A 76 7.243 12.555 0.662 1.00 23.42 O ATOM 0 H GLU A 76 8.333 8.047 -1.924 1.00 63.41 H new ATOM 0 HA GLU A 76 7.129 9.860 -0.008 1.00 73.40 H new ATOM 0 HB2 GLU A 76 9.350 10.215 -1.138 1.00 41.34 H new ATOM 0 HB3 GLU A 76 8.540 10.273 -2.690 1.00 41.34 H new ATOM 0 HG2 GLU A 76 8.992 12.544 -2.049 1.00 44.43 H new ATOM 0 HG3 GLU A 76 7.263 12.308 -1.894 1.00 44.43 H new ATOM 1217 N LEU A 77 4.997 10.557 -1.168 1.00 0.25 N ATOM 1218 CA LEU A 77 3.748 11.011 -1.807 1.00 21.24 C ATOM 1219 C LEU A 77 3.563 12.510 -1.569 1.00 53.12 C ATOM 1220 O LEU A 77 3.890 13.018 -0.506 1.00 52.15 O ATOM 1221 CB LEU A 77 2.488 10.238 -1.303 1.00 41.44 C ATOM 1222 CG LEU A 77 2.423 8.705 -1.642 1.00 51.14 C ATOM 1223 CD1 LEU A 77 3.221 7.861 -0.639 1.00 2.41 C ATOM 1224 CD2 LEU A 77 0.967 8.216 -1.743 1.00 42.24 C ATOM 0 H LEU A 77 5.053 10.782 -0.175 1.00 0.25 H new ATOM 0 HA LEU A 77 3.842 10.803 -2.873 1.00 21.24 H new ATOM 0 HB2 LEU A 77 2.429 10.351 -0.220 1.00 41.44 H new ATOM 0 HB3 LEU A 77 1.603 10.718 -1.722 1.00 41.44 H new ATOM 0 HG LEU A 77 2.890 8.574 -2.618 1.00 51.14 H new ATOM 0 HD11 LEU A 77 3.149 6.808 -0.911 1.00 2.41 H new ATOM 0 HD12 LEU A 77 4.266 8.169 -0.655 1.00 2.41 H new ATOM 0 HD13 LEU A 77 2.815 8.006 0.362 1.00 2.41 H new ATOM 0 HD21 LEU A 77 0.956 7.152 -1.979 1.00 42.24 H new ATOM 0 HD22 LEU A 77 0.461 8.382 -0.792 1.00 42.24 H new ATOM 0 HD23 LEU A 77 0.452 8.767 -2.530 1.00 42.24 H new ATOM 1236 N GLU A 78 3.054 13.206 -2.586 1.00 54.43 N ATOM 1237 CA GLU A 78 2.679 14.626 -2.497 1.00 21.41 C ATOM 1238 C GLU A 78 1.170 14.687 -2.228 1.00 31.43 C ATOM 1239 O GLU A 78 0.378 14.316 -3.101 1.00 44.20 O ATOM 1240 CB GLU A 78 3.049 15.346 -3.821 1.00 73.42 C ATOM 1241 CG GLU A 78 2.899 16.869 -3.828 1.00 43.11 C ATOM 1242 CD GLU A 78 3.323 17.509 -5.162 1.00 60.41 C ATOM 1243 OE1 GLU A 78 4.502 17.366 -5.540 1.00 33.41 O ATOM 1244 OE2 GLU A 78 2.483 18.144 -5.843 1.00 23.15 O ATOM 0 H GLU A 78 2.887 12.799 -3.506 1.00 54.43 H new ATOM 0 HA GLU A 78 3.214 15.129 -1.692 1.00 21.41 H new ATOM 0 HB2 GLU A 78 4.083 15.103 -4.066 1.00 73.42 H new ATOM 0 HB3 GLU A 78 2.428 14.937 -4.618 1.00 73.42 H new ATOM 0 HG2 GLU A 78 1.860 17.127 -3.621 1.00 43.11 H new ATOM 0 HG3 GLU A 78 3.499 17.291 -3.022 1.00 43.11 H new ATOM 1251 N GLU A 79 0.783 15.076 -1.001 1.00 71.44 N ATOM 1252 CA GLU A 79 -0.625 15.066 -0.557 1.00 3.10 C ATOM 1253 C GLU A 79 -1.209 16.490 -0.529 1.00 41.34 C ATOM 1254 O GLU A 79 -0.886 17.284 0.358 1.00 52.15 O ATOM 1255 CB GLU A 79 -0.762 14.410 0.846 1.00 10.22 C ATOM 1256 CG GLU A 79 -0.055 13.044 0.992 1.00 55.52 C ATOM 1257 CD GLU A 79 -0.526 12.257 2.226 1.00 51.31 C ATOM 1258 OE1 GLU A 79 -1.206 11.218 2.058 1.00 21.42 O ATOM 1259 OE2 GLU A 79 -0.242 12.697 3.364 1.00 31.05 O ATOM 0 H GLU A 79 1.435 15.406 -0.289 1.00 71.44 H new ATOM 0 HA GLU A 79 -1.190 14.474 -1.277 1.00 3.10 H new ATOM 0 HB2 GLU A 79 -0.359 15.094 1.593 1.00 10.22 H new ATOM 0 HB3 GLU A 79 -1.821 14.281 1.070 1.00 10.22 H new ATOM 0 HG2 GLU A 79 -0.236 12.449 0.097 1.00 55.52 H new ATOM 0 HG3 GLU A 79 1.021 13.203 1.057 1.00 55.52 H new ATOM 1266 N THR A 80 -2.065 16.805 -1.510 1.00 2.11 N ATOM 1267 CA THR A 80 -2.808 18.069 -1.562 1.00 71.12 C ATOM 1268 C THR A 80 -4.184 17.864 -0.896 1.00 32.14 C ATOM 1269 O THR A 80 -5.026 17.116 -1.406 1.00 35.12 O ATOM 1270 CB THR A 80 -2.975 18.556 -3.040 1.00 2.23 C ATOM 1271 OG1 THR A 80 -1.672 18.618 -3.661 1.00 23.51 O ATOM 1272 CG2 THR A 80 -3.656 19.940 -3.133 1.00 20.52 C ATOM 0 H THR A 80 -2.262 16.185 -2.295 1.00 2.11 H new ATOM 0 HA THR A 80 -2.254 18.838 -1.025 1.00 71.12 H new ATOM 0 HB THR A 80 -3.619 17.844 -3.556 1.00 2.23 H new ATOM 0 HG1 THR A 80 -1.766 18.921 -4.588 1.00 23.51 H new ATOM 0 HG21 THR A 80 -3.748 20.231 -4.179 1.00 20.52 H new ATOM 0 HG22 THR A 80 -4.647 19.889 -2.683 1.00 20.52 H new ATOM 0 HG23 THR A 80 -3.054 20.678 -2.603 1.00 20.52 H new ATOM 1280 N THR A 81 -4.375 18.498 0.267 1.00 20.11 N ATOM 1281 CA THR A 81 -5.620 18.430 1.052 1.00 31.03 C ATOM 1282 C THR A 81 -6.011 19.842 1.531 1.00 64.23 C ATOM 1283 O THR A 81 -5.207 20.544 2.158 1.00 70.03 O ATOM 1284 CB THR A 81 -5.479 17.434 2.261 1.00 51.55 C ATOM 1285 OG1 THR A 81 -6.643 17.493 3.105 1.00 3.13 O ATOM 1286 CG2 THR A 81 -4.207 17.691 3.100 1.00 11.12 C ATOM 0 H THR A 81 -3.659 19.083 0.699 1.00 20.11 H new ATOM 0 HA THR A 81 -6.415 18.046 0.413 1.00 31.03 H new ATOM 0 HB THR A 81 -5.389 16.436 1.833 1.00 51.55 H new ATOM 0 HG1 THR A 81 -6.475 16.991 3.930 1.00 3.13 H new ATOM 0 HG21 THR A 81 -4.161 16.975 3.920 1.00 11.12 H new ATOM 0 HG22 THR A 81 -3.326 17.577 2.469 1.00 11.12 H new ATOM 0 HG23 THR A 81 -4.236 18.703 3.503 1.00 11.12 H new ATOM 1294 N GLY A 82 -7.240 20.275 1.181 1.00 52.23 N ATOM 1295 CA GLY A 82 -7.765 21.599 1.556 1.00 71.11 C ATOM 1296 C GLY A 82 -7.083 22.753 0.826 1.00 52.20 C ATOM 1297 O GLY A 82 -7.235 23.920 1.217 1.00 21.44 O ATOM 0 H GLY A 82 -7.893 19.716 0.632 1.00 52.23 H new ATOM 0 HA2 GLY A 82 -8.835 21.629 1.348 1.00 71.11 H new ATOM 0 HA3 GLY A 82 -7.645 21.738 2.630 1.00 71.11 H new ATOM 1301 N GLY A 83 -6.326 22.421 -0.238 1.00 30.24 N ATOM 1302 CA GLY A 83 -5.496 23.391 -0.956 1.00 21.04 C ATOM 1303 C GLY A 83 -4.037 23.339 -0.508 1.00 10.03 C ATOM 1304 O GLY A 83 -3.136 23.652 -1.291 1.00 15.24 O ATOM 0 H GLY A 83 -6.277 21.476 -0.618 1.00 30.24 H new ATOM 0 HA2 GLY A 83 -5.554 23.195 -2.027 1.00 21.04 H new ATOM 0 HA3 GLY A 83 -5.889 24.395 -0.794 1.00 21.04 H new ATOM 1308 N THR A 84 -3.804 22.936 0.762 1.00 61.53 N ATOM 1309 CA THR A 84 -2.457 22.857 1.349 1.00 22.35 C ATOM 1310 C THR A 84 -1.792 21.507 1.004 1.00 32.53 C ATOM 1311 O THR A 84 -2.314 20.443 1.351 1.00 74.11 O ATOM 1312 CB THR A 84 -2.503 23.062 2.903 1.00 42.43 C ATOM 1313 OG1 THR A 84 -3.464 22.179 3.501 1.00 32.43 O ATOM 1314 CG2 THR A 84 -2.840 24.509 3.289 1.00 43.23 C ATOM 0 H THR A 84 -4.547 22.658 1.404 1.00 61.53 H new ATOM 0 HA THR A 84 -1.858 23.660 0.920 1.00 22.35 H new ATOM 0 HB THR A 84 -1.505 22.834 3.278 1.00 42.43 H new ATOM 0 HG1 THR A 84 -3.847 21.597 2.812 1.00 32.43 H new ATOM 0 HG21 THR A 84 -2.860 24.601 4.375 1.00 43.23 H new ATOM 0 HG22 THR A 84 -2.083 25.180 2.882 1.00 43.23 H new ATOM 0 HG23 THR A 84 -3.816 24.776 2.884 1.00 43.23 H new ATOM 1322 N THR A 85 -0.645 21.568 0.317 1.00 21.45 N ATOM 1323 CA THR A 85 0.113 20.385 -0.099 1.00 73.43 C ATOM 1324 C THR A 85 1.205 20.056 0.943 1.00 43.30 C ATOM 1325 O THR A 85 1.803 20.968 1.526 1.00 50.33 O ATOM 1326 CB THR A 85 0.753 20.633 -1.496 1.00 32.14 C ATOM 1327 OG1 THR A 85 -0.250 21.096 -2.406 1.00 32.13 O ATOM 1328 CG2 THR A 85 1.394 19.365 -2.074 1.00 21.34 C ATOM 0 H THR A 85 -0.214 22.448 0.033 1.00 21.45 H new ATOM 0 HA THR A 85 -0.565 19.534 -0.168 1.00 73.43 H new ATOM 0 HB THR A 85 1.536 21.380 -1.366 1.00 32.14 H new ATOM 0 HG1 THR A 85 -0.705 20.328 -2.810 1.00 32.13 H new ATOM 0 HG21 THR A 85 1.827 19.588 -3.049 1.00 21.34 H new ATOM 0 HG22 THR A 85 2.176 19.014 -1.401 1.00 21.34 H new ATOM 0 HG23 THR A 85 0.635 18.591 -2.183 1.00 21.34 H new ATOM 1336 N THR A 86 1.436 18.751 1.196 1.00 55.35 N ATOM 1337 CA THR A 86 2.478 18.254 2.111 1.00 70.43 C ATOM 1338 C THR A 86 3.057 16.943 1.558 1.00 75.42 C ATOM 1339 O THR A 86 2.309 15.987 1.328 1.00 61.21 O ATOM 1340 CB THR A 86 1.904 18.015 3.555 1.00 24.13 C ATOM 1341 OG1 THR A 86 1.376 19.244 4.066 1.00 42.20 O ATOM 1342 CG2 THR A 86 2.972 17.475 4.533 1.00 23.52 C ATOM 0 H THR A 86 0.894 18.004 0.762 1.00 55.35 H new ATOM 0 HA THR A 86 3.262 19.007 2.182 1.00 70.43 H new ATOM 0 HB THR A 86 1.120 17.262 3.474 1.00 24.13 H new ATOM 0 HG1 THR A 86 1.016 19.097 4.966 1.00 42.20 H new ATOM 0 HG21 THR A 86 2.524 17.327 5.516 1.00 23.52 H new ATOM 0 HG22 THR A 86 3.357 16.525 4.163 1.00 23.52 H new ATOM 0 HG23 THR A 86 3.789 18.192 4.611 1.00 23.52 H new ATOM 1350 N ASN A 87 4.382 16.902 1.348 1.00 21.33 N ATOM 1351 CA ASN A 87 5.088 15.673 0.960 1.00 65.30 C ATOM 1352 C ASN A 87 5.272 14.790 2.205 1.00 44.31 C ATOM 1353 O ASN A 87 6.024 15.142 3.128 1.00 34.34 O ATOM 1354 CB ASN A 87 6.454 15.987 0.304 1.00 25.03 C ATOM 1355 CG ASN A 87 6.317 16.739 -1.017 1.00 71.24 C ATOM 1356 OD1 ASN A 87 6.366 17.966 -1.056 1.00 31.40 O ATOM 1357 ND2 ASN A 87 6.106 16.011 -2.103 1.00 53.11 N ATOM 0 H ASN A 87 4.990 17.715 1.442 1.00 21.33 H new ATOM 0 HA ASN A 87 4.492 15.142 0.218 1.00 65.30 H new ATOM 0 HB2 ASN A 87 7.055 16.580 0.993 1.00 25.03 H new ATOM 0 HB3 ASN A 87 6.992 15.055 0.132 1.00 25.03 H new ATOM 0 HD21 ASN A 87 5.978 16.468 -3.006 1.00 53.11 H new ATOM 0 HD22 ASN A 87 6.071 14.994 -2.036 1.00 53.11 H new ATOM 1364 N THR A 88 4.537 13.678 2.234 1.00 11.24 N ATOM 1365 CA THR A 88 4.544 12.711 3.331 1.00 2.42 C ATOM 1366 C THR A 88 5.112 11.376 2.834 1.00 10.33 C ATOM 1367 O THR A 88 4.592 10.795 1.873 1.00 15.44 O ATOM 1368 CB THR A 88 3.099 12.500 3.872 1.00 14.42 C ATOM 1369 OG1 THR A 88 2.506 13.766 4.190 1.00 1.22 O ATOM 1370 CG2 THR A 88 3.068 11.595 5.109 1.00 3.44 C ATOM 0 H THR A 88 3.905 13.419 1.477 1.00 11.24 H new ATOM 0 HA THR A 88 5.168 13.094 4.138 1.00 2.42 H new ATOM 0 HB THR A 88 2.529 12.006 3.086 1.00 14.42 H new ATOM 0 HG1 THR A 88 1.541 13.725 4.026 1.00 1.22 H new ATOM 0 HG21 THR A 88 2.039 11.478 5.449 1.00 3.44 H new ATOM 0 HG22 THR A 88 3.479 10.618 4.855 1.00 3.44 H new ATOM 0 HG23 THR A 88 3.664 12.044 5.904 1.00 3.44 H new ATOM 1378 N THR A 89 6.185 10.906 3.478 1.00 53.33 N ATOM 1379 CA THR A 89 6.810 9.628 3.143 1.00 1.53 C ATOM 1380 C THR A 89 6.141 8.507 3.961 1.00 2.24 C ATOM 1381 O THR A 89 6.135 8.551 5.187 1.00 14.01 O ATOM 1382 CB THR A 89 8.345 9.662 3.439 1.00 33.41 C ATOM 1383 OG1 THR A 89 8.915 10.872 2.904 1.00 25.13 O ATOM 1384 CG2 THR A 89 9.076 8.434 2.846 1.00 13.12 C ATOM 0 H THR A 89 6.642 11.401 4.244 1.00 53.33 H new ATOM 0 HA THR A 89 6.676 9.439 2.078 1.00 1.53 H new ATOM 0 HB THR A 89 8.475 9.634 4.521 1.00 33.41 H new ATOM 0 HG1 THR A 89 9.877 10.892 3.092 1.00 25.13 H new ATOM 0 HG21 THR A 89 10.140 8.498 3.075 1.00 13.12 H new ATOM 0 HG22 THR A 89 8.666 7.522 3.280 1.00 13.12 H new ATOM 0 HG23 THR A 89 8.938 8.416 1.765 1.00 13.12 H new ATOM 1392 N TYR A 90 5.552 7.529 3.277 1.00 20.13 N ATOM 1393 CA TYR A 90 4.986 6.333 3.914 1.00 15.04 C ATOM 1394 C TYR A 90 5.932 5.153 3.664 1.00 32.04 C ATOM 1395 O TYR A 90 6.455 5.004 2.566 1.00 21.02 O ATOM 1396 CB TYR A 90 3.580 6.024 3.328 1.00 62.43 C ATOM 1397 CG TYR A 90 2.486 7.044 3.681 1.00 15.01 C ATOM 1398 CD1 TYR A 90 2.288 8.198 2.920 1.00 62.40 C ATOM 1399 CD2 TYR A 90 1.641 6.836 4.769 1.00 32.30 C ATOM 1400 CE1 TYR A 90 1.292 9.102 3.231 1.00 21.25 C ATOM 1401 CE2 TYR A 90 0.643 7.732 5.089 1.00 42.32 C ATOM 1402 CZ TYR A 90 0.469 8.867 4.320 1.00 21.21 C ATOM 1403 OH TYR A 90 -0.522 9.767 4.647 1.00 44.21 O ATOM 0 H TYR A 90 5.451 7.540 2.262 1.00 20.13 H new ATOM 0 HA TYR A 90 4.878 6.503 4.985 1.00 15.04 H new ATOM 0 HB2 TYR A 90 3.661 5.963 2.243 1.00 62.43 H new ATOM 0 HB3 TYR A 90 3.265 5.041 3.679 1.00 62.43 H new ATOM 0 HD1 TYR A 90 2.927 8.387 2.070 1.00 62.40 H new ATOM 0 HD2 TYR A 90 1.771 5.952 5.376 1.00 32.30 H new ATOM 0 HE1 TYR A 90 1.155 9.988 2.628 1.00 21.25 H new ATOM 0 HE2 TYR A 90 0.000 7.548 5.937 1.00 42.32 H new ATOM 0 HH TYR A 90 -0.882 10.169 3.829 1.00 44.21 H new ATOM 1413 N GLU A 91 6.183 4.341 4.696 1.00 51.00 N ATOM 1414 CA GLU A 91 6.947 3.092 4.560 1.00 13.15 C ATOM 1415 C GLU A 91 6.017 1.931 4.877 1.00 51.12 C ATOM 1416 O GLU A 91 5.708 1.665 6.042 1.00 30.34 O ATOM 1417 CB GLU A 91 8.173 3.079 5.506 1.00 23.24 C ATOM 1418 CG GLU A 91 9.263 4.098 5.139 1.00 13.40 C ATOM 1419 CD GLU A 91 10.448 4.039 6.102 1.00 42.03 C ATOM 1420 OE1 GLU A 91 11.399 3.267 5.852 1.00 42.13 O ATOM 1421 OE2 GLU A 91 10.419 4.744 7.130 1.00 23.31 O ATOM 0 H GLU A 91 5.865 4.528 5.647 1.00 51.00 H new ATOM 0 HA GLU A 91 7.326 3.005 3.542 1.00 13.15 H new ATOM 0 HB2 GLU A 91 7.835 3.276 6.523 1.00 23.24 H new ATOM 0 HB3 GLU A 91 8.609 2.080 5.503 1.00 23.24 H new ATOM 0 HG2 GLU A 91 9.611 3.907 4.124 1.00 13.40 H new ATOM 0 HG3 GLU A 91 8.839 5.102 5.147 1.00 13.40 H new ATOM 1428 N LEU A 92 5.561 1.251 3.826 1.00 53.10 N ATOM 1429 CA LEU A 92 4.663 0.111 3.955 1.00 43.34 C ATOM 1430 C LEU A 92 5.532 -1.132 4.134 1.00 5.31 C ATOM 1431 O LEU A 92 6.176 -1.600 3.187 1.00 33.44 O ATOM 1432 CB LEU A 92 3.720 0.000 2.716 1.00 15.42 C ATOM 1433 CG LEU A 92 2.679 1.164 2.547 1.00 34.13 C ATOM 1434 CD1 LEU A 92 3.349 2.485 2.137 1.00 70.52 C ATOM 1435 CD2 LEU A 92 1.557 0.787 1.567 1.00 73.20 C ATOM 0 H LEU A 92 5.806 1.477 2.862 1.00 53.10 H new ATOM 0 HA LEU A 92 4.007 0.227 4.818 1.00 43.34 H new ATOM 0 HB2 LEU A 92 4.335 -0.046 1.817 1.00 15.42 H new ATOM 0 HB3 LEU A 92 3.176 -0.943 2.779 1.00 15.42 H new ATOM 0 HG LEU A 92 2.226 1.320 3.526 1.00 34.13 H new ATOM 0 HD11 LEU A 92 2.590 3.261 2.032 1.00 70.52 H new ATOM 0 HD12 LEU A 92 4.067 2.781 2.901 1.00 70.52 H new ATOM 0 HD13 LEU A 92 3.865 2.351 1.186 1.00 70.52 H new ATOM 0 HD21 LEU A 92 0.858 1.618 1.478 1.00 73.20 H new ATOM 0 HD22 LEU A 92 1.986 0.567 0.590 1.00 73.20 H new ATOM 0 HD23 LEU A 92 1.030 -0.092 1.938 1.00 73.20 H new ATOM 1447 N ARG A 93 5.587 -1.619 5.381 1.00 55.14 N ATOM 1448 CA ARG A 93 6.415 -2.760 5.761 1.00 45.24 C ATOM 1449 C ARG A 93 5.560 -4.034 5.752 1.00 11.54 C ATOM 1450 O ARG A 93 4.700 -4.225 6.611 1.00 3.12 O ATOM 1451 CB ARG A 93 7.081 -2.524 7.145 1.00 4.42 C ATOM 1452 CG ARG A 93 8.120 -3.605 7.515 1.00 41.50 C ATOM 1453 CD ARG A 93 8.926 -3.274 8.775 1.00 45.40 C ATOM 1454 NE ARG A 93 8.130 -3.328 10.010 1.00 21.23 N ATOM 1455 CZ ARG A 93 8.634 -3.168 11.248 1.00 25.22 C ATOM 1456 NH1 ARG A 93 9.939 -2.951 11.437 1.00 62.42 N ATOM 1457 NH2 ARG A 93 7.836 -3.251 12.303 1.00 1.12 N ATOM 0 H ARG A 93 5.053 -1.226 6.156 1.00 55.14 H new ATOM 0 HA ARG A 93 7.221 -2.879 5.037 1.00 45.24 H new ATOM 0 HB2 ARG A 93 7.566 -1.548 7.145 1.00 4.42 H new ATOM 0 HB3 ARG A 93 6.308 -2.495 7.913 1.00 4.42 H new ATOM 0 HG2 ARG A 93 7.607 -4.556 7.661 1.00 41.50 H new ATOM 0 HG3 ARG A 93 8.807 -3.739 6.679 1.00 41.50 H new ATOM 0 HD2 ARG A 93 9.759 -3.972 8.858 1.00 45.40 H new ATOM 0 HD3 ARG A 93 9.355 -2.277 8.671 1.00 45.40 H new ATOM 0 HE ARG A 93 7.128 -3.498 9.923 1.00 21.23 H new ATOM 0 HH11 ARG A 93 10.569 -2.904 10.637 1.00 62.42 H new ATOM 0 HH12 ARG A 93 10.305 -2.832 12.382 1.00 62.42 H new ATOM 0 HH21 ARG A 93 6.841 -3.436 12.176 1.00 1.12 H new ATOM 0 HH22 ARG A 93 8.217 -3.130 13.241 1.00 1.12 H new ATOM 1471 N PHE A 94 5.800 -4.885 4.755 1.00 53.31 N ATOM 1472 CA PHE A 94 5.028 -6.106 4.527 1.00 52.52 C ATOM 1473 C PHE A 94 5.640 -7.279 5.313 1.00 21.34 C ATOM 1474 O PHE A 94 6.722 -7.767 4.977 1.00 53.40 O ATOM 1475 CB PHE A 94 4.988 -6.398 3.003 1.00 2.22 C ATOM 1476 CG PHE A 94 4.157 -5.387 2.213 1.00 71.03 C ATOM 1477 CD1 PHE A 94 4.695 -4.158 1.826 1.00 64.42 C ATOM 1478 CD2 PHE A 94 2.836 -5.668 1.856 1.00 22.42 C ATOM 1479 CE1 PHE A 94 3.940 -3.249 1.118 1.00 63.53 C ATOM 1480 CE2 PHE A 94 2.084 -4.756 1.148 1.00 30.24 C ATOM 1481 CZ PHE A 94 2.637 -3.548 0.778 1.00 50.25 C ATOM 0 H PHE A 94 6.546 -4.744 4.074 1.00 53.31 H new ATOM 0 HA PHE A 94 4.007 -5.975 4.885 1.00 52.52 H new ATOM 0 HB2 PHE A 94 6.006 -6.403 2.615 1.00 2.22 H new ATOM 0 HB3 PHE A 94 4.581 -7.396 2.842 1.00 2.22 H new ATOM 0 HD1 PHE A 94 5.715 -3.917 2.085 1.00 64.42 H new ATOM 0 HD2 PHE A 94 2.398 -6.614 2.139 1.00 22.42 H new ATOM 0 HE1 PHE A 94 4.369 -2.301 0.829 1.00 63.53 H new ATOM 0 HE2 PHE A 94 1.063 -4.987 0.883 1.00 30.24 H new ATOM 0 HZ PHE A 94 2.048 -2.834 0.221 1.00 50.25 H new ATOM 1491 N GLU A 95 4.923 -7.709 6.366 1.00 32.24 N ATOM 1492 CA GLU A 95 5.339 -8.812 7.243 1.00 10.32 C ATOM 1493 C GLU A 95 4.778 -10.134 6.696 1.00 41.25 C ATOM 1494 O GLU A 95 3.556 -10.324 6.647 1.00 30.11 O ATOM 1495 CB GLU A 95 4.855 -8.562 8.697 1.00 53.31 C ATOM 1496 CG GLU A 95 5.299 -9.642 9.710 1.00 33.02 C ATOM 1497 CD GLU A 95 4.820 -9.359 11.143 1.00 63.22 C ATOM 1498 OE1 GLU A 95 5.482 -8.571 11.859 1.00 2.32 O ATOM 1499 OE2 GLU A 95 3.787 -9.926 11.566 1.00 21.40 O ATOM 0 H GLU A 95 4.030 -7.295 6.633 1.00 32.24 H new ATOM 0 HA GLU A 95 6.427 -8.870 7.262 1.00 10.32 H new ATOM 0 HB2 GLU A 95 5.228 -7.593 9.030 1.00 53.31 H new ATOM 0 HB3 GLU A 95 3.767 -8.503 8.700 1.00 53.31 H new ATOM 0 HG2 GLU A 95 4.916 -10.611 9.390 1.00 33.02 H new ATOM 0 HG3 GLU A 95 6.387 -9.712 9.704 1.00 33.02 H new ATOM 1506 N VAL A 96 5.681 -11.029 6.266 1.00 51.22 N ATOM 1507 CA VAL A 96 5.323 -12.323 5.649 1.00 31.45 C ATOM 1508 C VAL A 96 5.455 -13.462 6.681 1.00 60.33 C ATOM 1509 O VAL A 96 6.251 -13.372 7.624 1.00 22.55 O ATOM 1510 CB VAL A 96 6.206 -12.624 4.370 1.00 50.14 C ATOM 1511 CG1 VAL A 96 6.272 -11.388 3.449 1.00 61.33 C ATOM 1512 CG2 VAL A 96 7.626 -13.126 4.727 1.00 2.32 C ATOM 0 H VAL A 96 6.687 -10.878 6.336 1.00 51.22 H new ATOM 0 HA VAL A 96 4.285 -12.261 5.322 1.00 31.45 H new ATOM 0 HB VAL A 96 5.716 -13.436 3.832 1.00 50.14 H new ATOM 0 HG11 VAL A 96 6.884 -11.617 2.576 1.00 61.33 H new ATOM 0 HG12 VAL A 96 5.266 -11.120 3.127 1.00 61.33 H new ATOM 0 HG13 VAL A 96 6.713 -10.552 3.992 1.00 61.33 H new ATOM 0 HG21 VAL A 96 8.186 -13.316 3.811 1.00 2.32 H new ATOM 0 HG22 VAL A 96 8.142 -12.369 5.317 1.00 2.32 H new ATOM 0 HG23 VAL A 96 7.552 -14.047 5.305 1.00 2.32 H new ATOM 1522 N ASP A 97 4.627 -14.498 6.522 1.00 43.42 N ATOM 1523 CA ASP A 97 4.703 -15.743 7.304 1.00 50.32 C ATOM 1524 C ASP A 97 4.514 -16.915 6.335 1.00 60.41 C ATOM 1525 O ASP A 97 3.499 -16.983 5.626 1.00 63.21 O ATOM 1526 CB ASP A 97 3.632 -15.749 8.427 1.00 65.22 C ATOM 1527 CG ASP A 97 3.663 -17.008 9.311 1.00 32.34 C ATOM 1528 OD1 ASP A 97 4.364 -17.008 10.350 1.00 33.43 O ATOM 1529 OD2 ASP A 97 2.992 -18.007 8.974 1.00 71.41 O ATOM 0 H ASP A 97 3.872 -14.499 5.836 1.00 43.42 H new ATOM 0 HA ASP A 97 5.672 -15.829 7.796 1.00 50.32 H new ATOM 0 HB2 ASP A 97 3.775 -14.871 9.057 1.00 65.22 H new ATOM 0 HB3 ASP A 97 2.645 -15.659 7.974 1.00 65.22 H new ATOM 1534 N GLY A 98 5.529 -17.786 6.247 1.00 23.54 N ATOM 1535 CA GLY A 98 5.492 -18.936 5.358 1.00 23.31 C ATOM 1536 C GLY A 98 5.811 -18.554 3.921 1.00 15.53 C ATOM 1537 O GLY A 98 6.983 -18.351 3.579 1.00 25.15 O ATOM 0 H GLY A 98 6.389 -17.707 6.789 1.00 23.54 H new ATOM 0 HA2 GLY A 98 6.207 -19.684 5.702 1.00 23.31 H new ATOM 0 HA3 GLY A 98 4.505 -19.396 5.401 1.00 23.31 H new ATOM 1541 N ASP A 99 4.766 -18.419 3.087 1.00 73.54 N ATOM 1542 CA ASP A 99 4.916 -18.114 1.645 1.00 64.10 C ATOM 1543 C ASP A 99 4.157 -16.827 1.238 1.00 71.14 C ATOM 1544 O ASP A 99 4.519 -16.182 0.245 1.00 20.33 O ATOM 1545 CB ASP A 99 4.427 -19.334 0.811 1.00 63.40 C ATOM 1546 CG ASP A 99 4.479 -19.103 -0.713 1.00 51.10 C ATOM 1547 OD1 ASP A 99 5.589 -19.120 -1.293 1.00 42.12 O ATOM 1548 OD2 ASP A 99 3.411 -18.918 -1.339 1.00 71.01 O ATOM 0 H ASP A 99 3.796 -18.517 3.387 1.00 73.54 H new ATOM 0 HA ASP A 99 5.971 -17.929 1.441 1.00 64.10 H new ATOM 0 HB2 ASP A 99 5.039 -20.201 1.059 1.00 63.40 H new ATOM 0 HB3 ASP A 99 3.403 -19.573 1.099 1.00 63.40 H new ATOM 1553 N THR A 100 3.153 -16.423 2.028 1.00 41.14 N ATOM 1554 CA THR A 100 2.306 -15.256 1.693 1.00 71.12 C ATOM 1555 C THR A 100 2.509 -14.122 2.704 1.00 4.44 C ATOM 1556 O THR A 100 2.967 -14.348 3.839 1.00 23.31 O ATOM 1557 CB THR A 100 0.787 -15.635 1.602 1.00 30.03 C ATOM 1558 OG1 THR A 100 0.038 -14.528 1.069 1.00 5.31 O ATOM 1559 CG2 THR A 100 0.190 -16.027 2.965 1.00 33.52 C ATOM 0 H THR A 100 2.903 -16.882 2.904 1.00 41.14 H new ATOM 0 HA THR A 100 2.620 -14.911 0.708 1.00 71.12 H new ATOM 0 HB THR A 100 0.718 -16.502 0.945 1.00 30.03 H new ATOM 0 HG1 THR A 100 -0.910 -14.771 1.013 1.00 5.31 H new ATOM 0 HG21 THR A 100 -0.863 -16.279 2.842 1.00 33.52 H new ATOM 0 HG22 THR A 100 0.726 -16.889 3.362 1.00 33.52 H new ATOM 0 HG23 THR A 100 0.284 -15.191 3.658 1.00 33.52 H new ATOM 1567 N ILE A 101 2.159 -12.904 2.268 1.00 14.40 N ATOM 1568 CA ILE A 101 2.251 -11.698 3.087 1.00 71.33 C ATOM 1569 C ILE A 101 0.980 -11.581 3.945 1.00 22.15 C ATOM 1570 O ILE A 101 -0.137 -11.590 3.414 1.00 52.02 O ATOM 1571 CB ILE A 101 2.421 -10.395 2.221 1.00 5.21 C ATOM 1572 CG1 ILE A 101 3.474 -10.589 1.079 1.00 12.45 C ATOM 1573 CG2 ILE A 101 2.805 -9.207 3.136 1.00 12.44 C ATOM 1574 CD1 ILE A 101 3.603 -9.412 0.117 1.00 21.44 C ATOM 0 H ILE A 101 1.802 -12.732 1.328 1.00 14.40 H new ATOM 0 HA ILE A 101 3.138 -11.787 3.715 1.00 71.33 H new ATOM 0 HB ILE A 101 1.468 -10.179 1.738 1.00 5.21 H new ATOM 0 HG12 ILE A 101 4.448 -10.778 1.531 1.00 12.45 H new ATOM 0 HG13 ILE A 101 3.209 -11.479 0.508 1.00 12.45 H new ATOM 0 HG21 ILE A 101 2.922 -8.306 2.533 1.00 12.44 H new ATOM 0 HG22 ILE A 101 2.020 -9.049 3.876 1.00 12.44 H new ATOM 0 HG23 ILE A 101 3.744 -9.428 3.644 1.00 12.44 H new ATOM 0 HD11 ILE A 101 4.355 -9.640 -0.638 1.00 21.44 H new ATOM 0 HD12 ILE A 101 2.644 -9.233 -0.369 1.00 21.44 H new ATOM 0 HD13 ILE A 101 3.902 -8.521 0.670 1.00 21.44 H new ATOM 1586 N ARG A 102 1.162 -11.467 5.266 1.00 44.43 N ATOM 1587 CA ARG A 102 0.053 -11.504 6.244 1.00 53.31 C ATOM 1588 C ARG A 102 -0.399 -10.099 6.620 1.00 12.51 C ATOM 1589 O ARG A 102 -1.597 -9.827 6.739 1.00 0.52 O ATOM 1590 CB ARG A 102 0.503 -12.255 7.522 1.00 32.44 C ATOM 1591 CG ARG A 102 1.149 -13.620 7.250 1.00 32.03 C ATOM 1592 CD ARG A 102 0.230 -14.594 6.498 1.00 23.31 C ATOM 1593 NE ARG A 102 0.870 -15.904 6.285 1.00 52.22 N ATOM 1594 CZ ARG A 102 0.433 -17.077 6.775 1.00 22.03 C ATOM 1595 NH1 ARG A 102 -0.664 -17.141 7.522 1.00 42.31 N ATOM 1596 NH2 ARG A 102 1.099 -18.187 6.492 1.00 73.42 N ATOM 0 H ARG A 102 2.080 -11.346 5.693 1.00 44.43 H new ATOM 0 HA ARG A 102 -0.785 -12.025 5.781 1.00 53.31 H new ATOM 0 HB2 ARG A 102 1.212 -11.631 8.067 1.00 32.44 H new ATOM 0 HB3 ARG A 102 -0.361 -12.397 8.171 1.00 32.44 H new ATOM 0 HG2 ARG A 102 2.061 -13.473 6.671 1.00 32.03 H new ATOM 0 HG3 ARG A 102 1.443 -14.069 8.199 1.00 32.03 H new ATOM 0 HD2 ARG A 102 -0.693 -14.729 7.061 1.00 23.31 H new ATOM 0 HD3 ARG A 102 -0.044 -14.163 5.535 1.00 23.31 H new ATOM 0 HE ARG A 102 1.717 -15.922 5.717 1.00 52.22 H new ATOM 0 HH11 ARG A 102 -1.189 -16.292 7.732 1.00 42.31 H new ATOM 0 HH12 ARG A 102 -0.982 -18.039 7.886 1.00 42.31 H new ATOM 0 HH21 ARG A 102 1.934 -18.146 5.908 1.00 73.42 H new ATOM 0 HH22 ARG A 102 0.777 -19.083 6.858 1.00 73.42 H new ATOM 1610 N ARG A 103 0.583 -9.218 6.842 1.00 31.41 N ATOM 1611 CA ARG A 103 0.363 -7.872 7.390 1.00 64.12 C ATOM 1612 C ARG A 103 1.119 -6.827 6.569 1.00 73.24 C ATOM 1613 O ARG A 103 2.052 -7.157 5.831 1.00 31.12 O ATOM 1614 CB ARG A 103 0.847 -7.820 8.871 1.00 23.30 C ATOM 1615 CG ARG A 103 0.083 -8.759 9.835 1.00 55.13 C ATOM 1616 CD ARG A 103 0.641 -8.725 11.265 1.00 74.00 C ATOM 1617 NE ARG A 103 -0.116 -9.607 12.176 1.00 33.44 N ATOM 1618 CZ ARG A 103 0.397 -10.263 13.233 1.00 1.01 C ATOM 1619 NH1 ARG A 103 1.693 -10.170 13.544 1.00 4.41 N ATOM 1620 NH2 ARG A 103 -0.401 -11.011 13.983 1.00 74.42 N ATOM 0 H ARG A 103 1.563 -9.420 6.645 1.00 31.41 H new ATOM 0 HA ARG A 103 -0.703 -7.650 7.345 1.00 64.12 H new ATOM 0 HB2 ARG A 103 1.906 -8.074 8.902 1.00 23.30 H new ATOM 0 HB3 ARG A 103 0.754 -6.796 9.233 1.00 23.30 H new ATOM 0 HG2 ARG A 103 -0.969 -8.475 9.854 1.00 55.13 H new ATOM 0 HG3 ARG A 103 0.131 -9.780 9.455 1.00 55.13 H new ATOM 0 HD2 ARG A 103 1.688 -9.029 11.253 1.00 74.00 H new ATOM 0 HD3 ARG A 103 0.610 -7.703 11.642 1.00 74.00 H new ATOM 0 HE ARG A 103 -1.111 -9.729 11.988 1.00 33.44 H new ATOM 0 HH11 ARG A 103 2.314 -9.593 12.976 1.00 4.41 H new ATOM 0 HH12 ARG A 103 2.062 -10.675 14.350 1.00 4.41 H new ATOM 0 HH21 ARG A 103 -1.393 -11.085 13.756 1.00 74.42 H new ATOM 0 HH22 ARG A 103 -0.023 -11.513 14.787 1.00 74.42 H new ATOM 1634 N VAL A 104 0.689 -5.570 6.716 1.00 25.31 N ATOM 1635 CA VAL A 104 1.415 -4.395 6.230 1.00 25.15 C ATOM 1636 C VAL A 104 1.291 -3.276 7.284 1.00 54.43 C ATOM 1637 O VAL A 104 0.182 -2.876 7.665 1.00 41.24 O ATOM 1638 CB VAL A 104 0.919 -3.909 4.815 1.00 61.15 C ATOM 1639 CG1 VAL A 104 -0.605 -3.653 4.776 1.00 43.51 C ATOM 1640 CG2 VAL A 104 1.713 -2.666 4.346 1.00 33.21 C ATOM 0 H VAL A 104 -0.187 -5.338 7.184 1.00 25.31 H new ATOM 0 HA VAL A 104 2.461 -4.667 6.092 1.00 25.15 H new ATOM 0 HB VAL A 104 1.114 -4.721 4.115 1.00 61.15 H new ATOM 0 HG11 VAL A 104 -0.893 -3.320 3.779 1.00 43.51 H new ATOM 0 HG12 VAL A 104 -1.135 -4.574 5.018 1.00 43.51 H new ATOM 0 HG13 VAL A 104 -0.863 -2.884 5.504 1.00 43.51 H new ATOM 0 HG21 VAL A 104 1.351 -2.351 3.367 1.00 33.21 H new ATOM 0 HG22 VAL A 104 1.576 -1.855 5.062 1.00 33.21 H new ATOM 0 HG23 VAL A 104 2.772 -2.915 4.278 1.00 33.21 H new ATOM 1650 N THR A 105 2.439 -2.832 7.797 1.00 44.32 N ATOM 1651 CA THR A 105 2.522 -1.750 8.764 1.00 71.12 C ATOM 1652 C THR A 105 2.930 -0.470 8.020 1.00 11.15 C ATOM 1653 O THR A 105 4.088 -0.316 7.623 1.00 74.53 O ATOM 1654 CB THR A 105 3.564 -2.110 9.875 1.00 14.40 C ATOM 1655 OG1 THR A 105 3.271 -3.416 10.413 1.00 41.33 O ATOM 1656 CG2 THR A 105 3.570 -1.084 11.016 1.00 41.43 C ATOM 0 H THR A 105 3.347 -3.223 7.545 1.00 44.32 H new ATOM 0 HA THR A 105 1.558 -1.595 9.249 1.00 71.12 H new ATOM 0 HB THR A 105 4.550 -2.102 9.411 1.00 14.40 H new ATOM 0 HG1 THR A 105 3.926 -3.639 11.107 1.00 41.33 H new ATOM 0 HG21 THR A 105 4.308 -1.375 11.763 1.00 41.43 H new ATOM 0 HG22 THR A 105 3.823 -0.101 10.620 1.00 41.43 H new ATOM 0 HG23 THR A 105 2.583 -1.046 11.477 1.00 41.43 H new ATOM 1664 N VAL A 106 1.958 0.429 7.815 1.00 72.05 N ATOM 1665 CA VAL A 106 2.165 1.675 7.064 1.00 65.34 C ATOM 1666 C VAL A 106 2.671 2.757 8.036 1.00 41.21 C ATOM 1667 O VAL A 106 1.905 3.297 8.839 1.00 51.41 O ATOM 1668 CB VAL A 106 0.839 2.142 6.343 1.00 64.45 C ATOM 1669 CG1 VAL A 106 1.075 3.407 5.484 1.00 40.33 C ATOM 1670 CG2 VAL A 106 0.236 0.994 5.492 1.00 25.35 C ATOM 0 H VAL A 106 1.007 0.313 8.165 1.00 72.05 H new ATOM 0 HA VAL A 106 2.906 1.504 6.284 1.00 65.34 H new ATOM 0 HB VAL A 106 0.118 2.403 7.117 1.00 64.45 H new ATOM 0 HG11 VAL A 106 0.142 3.700 5.003 1.00 40.33 H new ATOM 0 HG12 VAL A 106 1.425 4.219 6.121 1.00 40.33 H new ATOM 0 HG13 VAL A 106 1.825 3.195 4.722 1.00 40.33 H new ATOM 0 HG21 VAL A 106 -0.676 1.341 5.006 1.00 25.35 H new ATOM 0 HG22 VAL A 106 0.956 0.686 4.734 1.00 25.35 H new ATOM 0 HG23 VAL A 106 0.003 0.147 6.137 1.00 25.35 H new ATOM 1680 N THR A 107 3.980 3.040 7.961 1.00 34.15 N ATOM 1681 CA THR A 107 4.659 3.972 8.860 1.00 20.04 C ATOM 1682 C THR A 107 4.708 5.364 8.212 1.00 64.50 C ATOM 1683 O THR A 107 5.467 5.600 7.262 1.00 64.23 O ATOM 1684 CB THR A 107 6.102 3.459 9.192 1.00 1.54 C ATOM 1685 OG1 THR A 107 6.024 2.153 9.786 1.00 63.21 O ATOM 1686 CG2 THR A 107 6.857 4.404 10.148 1.00 63.30 C ATOM 0 H THR A 107 4.599 2.622 7.266 1.00 34.15 H new ATOM 0 HA THR A 107 4.105 4.039 9.796 1.00 20.04 H new ATOM 0 HB THR A 107 6.656 3.423 8.254 1.00 1.54 H new ATOM 0 HG1 THR A 107 6.927 1.833 9.992 1.00 63.21 H new ATOM 0 HG21 THR A 107 7.851 4.003 10.346 1.00 63.30 H new ATOM 0 HG22 THR A 107 6.948 5.389 9.690 1.00 63.30 H new ATOM 0 HG23 THR A 107 6.307 4.489 11.085 1.00 63.30 H new ATOM 1694 N GLN A 108 3.877 6.270 8.733 1.00 64.10 N ATOM 1695 CA GLN A 108 3.748 7.628 8.209 1.00 14.22 C ATOM 1696 C GLN A 108 4.877 8.516 8.769 1.00 11.34 C ATOM 1697 O GLN A 108 4.811 8.978 9.913 1.00 71.52 O ATOM 1698 CB GLN A 108 2.349 8.202 8.561 1.00 74.13 C ATOM 1699 CG GLN A 108 2.088 9.635 8.042 1.00 10.41 C ATOM 1700 CD GLN A 108 0.690 10.171 8.377 1.00 3.53 C ATOM 1701 OE1 GLN A 108 -0.277 9.416 8.490 1.00 61.43 O ATOM 1702 NE2 GLN A 108 0.571 11.477 8.538 1.00 44.02 N ATOM 0 H GLN A 108 3.273 6.080 9.533 1.00 64.10 H new ATOM 0 HA GLN A 108 3.840 7.609 7.123 1.00 14.22 H new ATOM 0 HB2 GLN A 108 1.586 7.538 8.154 1.00 74.13 H new ATOM 0 HB3 GLN A 108 2.231 8.196 9.645 1.00 74.13 H new ATOM 0 HG2 GLN A 108 2.835 10.306 8.465 1.00 10.41 H new ATOM 0 HG3 GLN A 108 2.223 9.650 6.960 1.00 10.41 H new ATOM 0 HE21 GLN A 108 1.388 12.080 8.439 1.00 44.02 H new ATOM 0 HE22 GLN A 108 -0.338 11.883 8.761 1.00 44.02 H new ATOM 1711 N ASN A 109 5.941 8.682 7.972 1.00 4.34 N ATOM 1712 CA ASN A 109 7.011 9.654 8.249 1.00 71.05 C ATOM 1713 C ASN A 109 6.453 11.057 7.946 1.00 13.02 C ATOM 1714 O ASN A 109 6.476 11.521 6.797 1.00 43.14 O ATOM 1715 CB ASN A 109 8.276 9.343 7.398 1.00 34.21 C ATOM 1716 CG ASN A 109 8.803 7.920 7.608 1.00 71.23 C ATOM 1717 OD1 ASN A 109 9.642 7.671 8.474 1.00 12.44 O ATOM 1718 ND2 ASN A 109 8.304 6.970 6.830 1.00 0.13 N ATOM 0 H ASN A 109 6.086 8.147 7.116 1.00 4.34 H new ATOM 0 HA ASN A 109 7.320 9.597 9.293 1.00 71.05 H new ATOM 0 HB2 ASN A 109 8.042 9.486 6.343 1.00 34.21 H new ATOM 0 HB3 ASN A 109 9.061 10.056 7.650 1.00 34.21 H new ATOM 0 HD21 ASN A 109 8.614 6.005 6.941 1.00 0.13 H new ATOM 0 HD22 ASN A 109 7.610 7.204 6.120 1.00 0.13 H new ATOM 1725 N GLY A 110 5.869 11.679 8.980 1.00 64.34 N ATOM 1726 CA GLY A 110 5.176 12.958 8.854 1.00 25.53 C ATOM 1727 C GLY A 110 4.796 13.521 10.219 1.00 3.52 C ATOM 1728 O GLY A 110 3.723 14.119 10.390 1.00 22.54 O ATOM 0 H GLY A 110 5.867 11.303 9.928 1.00 64.34 H new ATOM 0 HA2 GLY A 110 5.814 13.669 8.330 1.00 25.53 H new ATOM 0 HA3 GLY A 110 4.278 12.829 8.249 1.00 25.53 H new ATOM 1732 N GLY A 111 5.705 13.336 11.188 1.00 50.42 N ATOM 1733 CA GLY A 111 5.493 13.745 12.581 1.00 41.00 C ATOM 1734 C GLY A 111 6.679 14.530 13.115 1.00 25.01 C ATOM 1735 O GLY A 111 7.453 14.019 13.943 1.00 41.23 O ATOM 0 H GLY A 111 6.611 12.897 11.025 1.00 50.42 H new ATOM 0 HA2 GLY A 111 4.591 14.353 12.650 1.00 41.00 H new ATOM 0 HA3 GLY A 111 5.330 12.863 13.200 1.00 41.00 H new ATOM 1739 N SER A 112 6.857 15.747 12.549 1.00 14.41 N ATOM 1740 CA SER A 112 7.850 16.769 12.978 1.00 53.34 C ATOM 1741 C SER A 112 9.307 16.440 12.562 1.00 12.10 C ATOM 1742 O SER A 112 10.160 17.346 12.518 1.00 70.10 O ATOM 1743 CB SER A 112 7.755 17.036 14.506 1.00 21.14 C ATOM 1744 OG SER A 112 6.417 17.356 14.890 1.00 35.40 O ATOM 0 H SER A 112 6.297 16.058 11.755 1.00 14.41 H new ATOM 0 HA SER A 112 7.585 17.681 12.443 1.00 53.34 H new ATOM 0 HB2 SER A 112 8.093 16.156 15.054 1.00 21.14 H new ATOM 0 HB3 SER A 112 8.420 17.856 14.777 1.00 21.14 H new ATOM 0 HG SER A 112 6.384 17.518 15.856 1.00 35.40 H new ATOM 1750 N LEU A 113 9.599 15.162 12.245 1.00 11.43 N ATOM 1751 CA LEU A 113 10.957 14.711 11.906 1.00 25.54 C ATOM 1752 C LEU A 113 11.222 14.890 10.398 1.00 75.44 C ATOM 1753 O LEU A 113 11.028 13.969 9.594 1.00 11.23 O ATOM 1754 CB LEU A 113 11.176 13.230 12.337 1.00 1.04 C ATOM 1755 CG LEU A 113 12.623 12.656 12.121 1.00 74.14 C ATOM 1756 CD1 LEU A 113 13.681 13.512 12.845 1.00 22.33 C ATOM 1757 CD2 LEU A 113 12.706 11.182 12.559 1.00 5.24 C ATOM 0 H LEU A 113 8.901 14.419 12.218 1.00 11.43 H new ATOM 0 HA LEU A 113 11.669 15.326 12.455 1.00 25.54 H new ATOM 0 HB2 LEU A 113 10.925 13.139 13.394 1.00 1.04 H new ATOM 0 HB3 LEU A 113 10.473 12.605 11.787 1.00 1.04 H new ATOM 0 HG LEU A 113 12.839 12.700 11.054 1.00 74.14 H new ATOM 0 HD11 LEU A 113 14.671 13.088 12.675 1.00 22.33 H new ATOM 0 HD12 LEU A 113 13.652 14.531 12.458 1.00 22.33 H new ATOM 0 HD13 LEU A 113 13.470 13.524 13.914 1.00 22.33 H new ATOM 0 HD21 LEU A 113 13.718 10.811 12.398 1.00 5.24 H new ATOM 0 HD22 LEU A 113 12.454 11.102 13.616 1.00 5.24 H new ATOM 0 HD23 LEU A 113 12.005 10.588 11.973 1.00 5.24 H new ATOM 1769 N GLU A 114 11.593 16.115 10.015 1.00 24.23 N ATOM 1770 CA GLU A 114 12.073 16.409 8.665 1.00 13.02 C ATOM 1771 C GLU A 114 13.538 15.949 8.584 1.00 52.14 C ATOM 1772 O GLU A 114 14.451 16.683 8.989 1.00 30.53 O ATOM 1773 CB GLU A 114 11.923 17.924 8.338 1.00 55.40 C ATOM 1774 CG GLU A 114 10.474 18.458 8.450 1.00 31.32 C ATOM 1775 CD GLU A 114 10.345 19.939 8.044 1.00 24.23 C ATOM 1776 OE1 GLU A 114 10.671 20.822 8.863 1.00 71.34 O ATOM 1777 OE2 GLU A 114 9.928 20.229 6.901 1.00 11.43 O ATOM 0 H GLU A 114 11.569 16.927 10.631 1.00 24.23 H new ATOM 0 HA GLU A 114 11.479 15.877 7.922 1.00 13.02 H new ATOM 0 HB2 GLU A 114 12.561 18.495 9.012 1.00 55.40 H new ATOM 0 HB3 GLU A 114 12.287 18.103 7.326 1.00 55.40 H new ATOM 0 HG2 GLU A 114 9.821 17.856 7.819 1.00 31.32 H new ATOM 0 HG3 GLU A 114 10.126 18.337 9.476 1.00 31.32 H new ATOM 1784 N HIS A 115 13.732 14.682 8.155 1.00 55.32 N ATOM 1785 CA HIS A 115 15.059 14.075 7.966 1.00 25.22 C ATOM 1786 C HIS A 115 15.778 14.808 6.816 1.00 31.10 C ATOM 1787 O HIS A 115 15.729 14.389 5.653 1.00 2.25 O ATOM 1788 CB HIS A 115 14.911 12.549 7.698 1.00 20.33 C ATOM 1789 CG HIS A 115 16.199 11.758 7.622 1.00 34.04 C ATOM 1790 ND1 HIS A 115 16.287 10.537 6.988 1.00 51.04 N ATOM 1791 CD2 HIS A 115 17.430 11.986 8.147 1.00 60.40 C ATOM 1792 CE1 HIS A 115 17.505 10.055 7.127 1.00 73.34 C ATOM 1793 NE2 HIS A 115 18.213 10.916 7.823 1.00 70.23 N ATOM 0 H HIS A 115 12.963 14.051 7.930 1.00 55.32 H new ATOM 0 HA HIS A 115 15.664 14.180 8.867 1.00 25.22 H new ATOM 0 HB2 HIS A 115 14.292 12.121 8.486 1.00 20.33 H new ATOM 0 HB3 HIS A 115 14.371 12.416 6.761 1.00 20.33 H new ATOM 0 HD2 HIS A 115 17.733 12.853 8.715 1.00 60.40 H new ATOM 0 HE1 HIS A 115 17.861 9.113 6.736 1.00 73.34 H new ATOM 0 HE2 HIS A 115 19.193 10.803 8.081 1.00 70.23 H new ATOM 1802 N HIS A 116 16.398 15.944 7.170 1.00 4.15 N ATOM 1803 CA HIS A 116 16.978 16.898 6.211 1.00 31.44 C ATOM 1804 C HIS A 116 18.423 16.511 5.870 1.00 22.24 C ATOM 1805 O HIS A 116 19.394 17.149 6.298 1.00 13.35 O ATOM 1806 CB HIS A 116 16.852 18.360 6.743 1.00 11.41 C ATOM 1807 CG HIS A 116 17.551 18.653 8.059 1.00 70.43 C ATOM 1808 ND1 HIS A 116 18.731 19.360 8.144 1.00 73.30 N ATOM 1809 CD2 HIS A 116 17.211 18.360 9.338 1.00 63.35 C ATOM 1810 CE1 HIS A 116 19.079 19.484 9.409 1.00 65.30 C ATOM 1811 NE2 HIS A 116 18.173 18.888 10.148 1.00 50.24 N ATOM 0 H HIS A 116 16.512 16.230 8.142 1.00 4.15 H new ATOM 0 HA HIS A 116 16.413 16.854 5.280 1.00 31.44 H new ATOM 0 HB2 HIS A 116 17.248 19.036 5.986 1.00 11.41 H new ATOM 0 HB3 HIS A 116 15.794 18.594 6.857 1.00 11.41 H new ATOM 0 HD2 HIS A 116 16.338 17.809 9.657 1.00 63.35 H new ATOM 0 HE1 HIS A 116 19.960 19.990 9.775 1.00 65.30 H new ATOM 0 HE2 HIS A 116 18.186 18.829 11.166 1.00 50.24 H new ATOM 1820 N HIS A 117 18.549 15.390 5.151 1.00 44.22 N ATOM 1821 CA HIS A 117 19.838 14.890 4.670 1.00 52.21 C ATOM 1822 C HIS A 117 20.335 15.779 3.522 1.00 12.31 C ATOM 1823 O HIS A 117 19.605 15.993 2.539 1.00 54.41 O ATOM 1824 CB HIS A 117 19.722 13.415 4.207 1.00 13.22 C ATOM 1825 CG HIS A 117 20.993 12.868 3.598 1.00 63.31 C ATOM 1826 ND1 HIS A 117 21.142 12.640 2.245 1.00 60.11 N ATOM 1827 CD2 HIS A 117 22.181 12.534 4.160 1.00 24.11 C ATOM 1828 CE1 HIS A 117 22.360 12.194 2.008 1.00 35.15 C ATOM 1829 NE2 HIS A 117 23.007 12.123 3.151 1.00 22.23 N ATOM 0 H HIS A 117 17.757 14.804 4.887 1.00 44.22 H new ATOM 0 HA HIS A 117 20.557 14.925 5.488 1.00 52.21 H new ATOM 0 HB2 HIS A 117 19.443 12.797 5.060 1.00 13.22 H new ATOM 0 HB3 HIS A 117 18.916 13.335 3.478 1.00 13.22 H new ATOM 0 HD2 HIS A 117 22.429 12.583 5.210 1.00 24.11 H new ATOM 0 HE1 HIS A 117 22.759 11.931 1.039 1.00 35.15 H new ATOM 0 HE2 HIS A 117 23.971 11.811 3.266 1.00 22.23 H new ATOM 1838 N HIS A 118 21.563 16.301 3.677 1.00 23.21 N ATOM 1839 CA HIS A 118 22.242 17.086 2.643 1.00 11.50 C ATOM 1840 C HIS A 118 22.535 16.201 1.421 1.00 5.24 C ATOM 1841 O HIS A 118 23.460 15.384 1.434 1.00 11.43 O ATOM 1842 CB HIS A 118 23.551 17.718 3.184 1.00 61.12 C ATOM 1843 CG HIS A 118 23.344 18.789 4.217 1.00 52.32 C ATOM 1844 ND1 HIS A 118 23.606 18.607 5.556 1.00 13.21 N ATOM 1845 CD2 HIS A 118 22.934 20.074 4.090 1.00 35.40 C ATOM 1846 CE1 HIS A 118 23.366 19.727 6.206 1.00 61.24 C ATOM 1847 NE2 HIS A 118 22.958 20.630 5.340 1.00 25.41 N ATOM 0 H HIS A 118 22.112 16.187 4.529 1.00 23.21 H new ATOM 0 HA HIS A 118 21.582 17.900 2.343 1.00 11.50 H new ATOM 0 HB2 HIS A 118 24.169 16.930 3.614 1.00 61.12 H new ATOM 0 HB3 HIS A 118 24.109 18.140 2.348 1.00 61.12 H new ATOM 0 HD2 HIS A 118 22.643 20.567 3.174 1.00 35.40 H new ATOM 0 HE1 HIS A 118 23.484 19.879 7.269 1.00 61.24 H new ATOM 0 HE2 HIS A 118 22.701 21.591 5.565 1.00 25.41 H new ATOM 1856 N HIS A 119 21.679 16.330 0.407 1.00 53.31 N ATOM 1857 CA HIS A 119 21.855 15.690 -0.901 1.00 14.44 C ATOM 1858 C HIS A 119 22.481 16.711 -1.866 1.00 52.32 C ATOM 1859 O HIS A 119 21.838 17.695 -2.243 1.00 4.24 O ATOM 1860 CB HIS A 119 20.501 15.127 -1.436 1.00 43.14 C ATOM 1861 CG HIS A 119 19.325 16.064 -1.315 1.00 10.23 C ATOM 1862 ND1 HIS A 119 18.581 16.157 -0.167 1.00 53.45 N ATOM 1863 CD2 HIS A 119 18.779 16.951 -2.186 1.00 52.24 C ATOM 1864 CE1 HIS A 119 17.634 17.049 -0.328 1.00 60.20 C ATOM 1865 NE2 HIS A 119 17.728 17.549 -1.543 1.00 12.05 N ATOM 0 H HIS A 119 20.829 16.891 0.470 1.00 53.31 H new ATOM 0 HA HIS A 119 22.526 14.836 -0.810 1.00 14.44 H new ATOM 0 HB2 HIS A 119 20.626 14.860 -2.485 1.00 43.14 H new ATOM 0 HB3 HIS A 119 20.270 14.208 -0.898 1.00 43.14 H new ATOM 0 HD1 HIS A 119 18.740 15.615 0.682 1.00 53.45 H new ATOM 0 HD2 HIS A 119 19.111 17.148 -3.195 1.00 52.24 H new ATOM 0 HE1 HIS A 119 16.899 17.328 0.413 1.00 60.20 H new ATOM 1874 N HIS A 120 23.765 16.500 -2.196 1.00 55.04 N ATOM 1875 CA HIS A 120 24.519 17.346 -3.148 1.00 52.35 C ATOM 1876 C HIS A 120 25.549 16.465 -3.908 1.00 40.24 C ATOM 1877 O HIS A 120 26.749 16.806 -3.994 1.00 41.44 O ATOM 1878 CB HIS A 120 25.158 18.556 -2.397 1.00 22.01 C ATOM 1879 CG HIS A 120 26.051 18.190 -1.225 1.00 50.04 C ATOM 1880 ND1 HIS A 120 27.377 17.847 -1.367 1.00 15.03 N ATOM 1881 CD2 HIS A 120 25.805 18.142 0.103 1.00 13.34 C ATOM 1882 CE1 HIS A 120 27.901 17.604 -0.191 1.00 64.14 C ATOM 1883 NE2 HIS A 120 26.970 17.781 0.721 1.00 44.15 N ATOM 1884 OXT HIS A 120 25.137 15.398 -4.400 1.00 37.51 O ATOM 0 H HIS A 120 24.317 15.734 -1.810 1.00 55.04 H new ATOM 0 HA HIS A 120 23.855 17.775 -3.898 1.00 52.35 H new ATOM 0 HB2 HIS A 120 25.742 19.139 -3.110 1.00 22.01 H new ATOM 0 HB3 HIS A 120 24.358 19.203 -2.036 1.00 22.01 H new ATOM 0 HD1 HIS A 120 27.876 17.791 -2.255 1.00 15.03 H new ATOM 0 HD2 HIS A 120 24.862 18.350 0.587 1.00 13.34 H new ATOM 0 HE1 HIS A 120 28.923 17.309 -0.003 1.00 64.14 H new TER 1893 HIS A 120