USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 988 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 112 SER OG : rot 130:sc= 0.64 USER MOD Set 1.2: A 115 SER OG : rot 135:sc= 0.57 USER MOD Set 2.1: A 58 LYS NZ :NH3+ -105:sc= 0.326 (180deg=0) USER MOD Set 2.2: A 66 HIS :FLIP no HE2:sc= -0.216 F(o=-0.62,f=0.11) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0576 X(o=-0.058,f=0) USER MOD Single : A 9 SER OG : rot -53:sc= 0.338 USER MOD Single : A 14 ASN : amide:sc= -0.036 X(o=-0.036,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.384 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -0.0923 (180deg=-0.422) USER MOD Single : A 27 GLN : amide:sc= -0.0102 K(o=-0.01,f=-0.68) USER MOD Single : A 35 THR OG1 : rot -123:sc= 0.314 USER MOD Single : A 48 HIS : no HD1:sc= -0.0889 X(o=-0.089,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.9) USER MOD Single : A 67 HIS : no HD1:sc= -0.0862 X(o=-0.086,f=-0.016) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.215) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 86:sc= 1.19 USER MOD Single : A 82 HIS : no HD1:sc= -0.048 X(o=-0.048,f=-0.17) USER MOD Single : A 83 THR OG1 : rot 73:sc= 0.346 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 90 GLN : amide:sc=-0.00216 K(o=-0.0022,f=-1.5) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 108 GLN : amide:sc= -1.79! C(o=-1.8!,f=-4.1!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 100.087 63.179 22.950 1.00 0.00 N ATOM 2 CA GLY A 1 99.673 62.168 21.994 1.00 0.00 C ATOM 3 C GLY A 1 99.092 62.770 20.730 1.00 0.00 C ATOM 4 O GLY A 1 99.723 62.738 19.673 1.00 0.00 O ATOM 0 H1 GLY A 1 100.477 62.717 23.796 1.00 0.00 H new ATOM 0 H2 GLY A 1 100.814 63.786 22.520 1.00 0.00 H new ATOM 0 H3 GLY A 1 99.267 63.759 23.219 1.00 0.00 H new ATOM 0 HA2 GLY A 1 100.529 61.544 21.736 1.00 0.00 H new ATOM 0 HA3 GLY A 1 98.932 61.516 22.457 1.00 0.00 H new ATOM 8 N SER A 2 97.886 63.317 20.837 1.00 0.00 N ATOM 9 CA SER A 2 97.217 63.923 19.691 1.00 0.00 C ATOM 10 C SER A 2 96.683 65.308 20.044 1.00 0.00 C ATOM 11 O SER A 2 96.510 65.655 21.213 1.00 0.00 O ATOM 12 CB SER A 2 96.072 63.029 19.211 1.00 0.00 C ATOM 13 OG SER A 2 94.816 63.557 19.599 1.00 0.00 O ATOM 0 H SER A 2 97.352 63.353 21.705 1.00 0.00 H new ATOM 0 HA SER A 2 97.947 64.028 18.889 1.00 0.00 H new ATOM 0 HB2 SER A 2 96.111 62.934 18.126 1.00 0.00 H new ATOM 0 HB3 SER A 2 96.192 62.027 19.623 1.00 0.00 H new ATOM 0 HG SER A 2 94.101 62.968 19.279 1.00 0.00 H new ATOM 19 N PRO A 3 96.414 66.119 19.010 1.00 0.00 N ATOM 20 CA PRO A 3 95.895 67.479 19.185 1.00 0.00 C ATOM 21 C PRO A 3 94.458 67.490 19.693 1.00 0.00 C ATOM 22 O PRO A 3 94.090 68.315 20.529 1.00 0.00 O ATOM 23 CB PRO A 3 95.969 68.070 17.775 1.00 0.00 C ATOM 24 CG PRO A 3 95.904 66.891 16.866 1.00 0.00 C ATOM 25 CD PRO A 3 96.597 65.771 17.591 1.00 0.00 C ATOM 0 HA PRO A 3 96.462 68.040 19.928 1.00 0.00 H new ATOM 0 HB2 PRO A 3 95.144 68.758 17.590 1.00 0.00 H new ATOM 0 HB3 PRO A 3 96.892 68.632 17.629 1.00 0.00 H new ATOM 0 HG2 PRO A 3 94.870 66.629 16.640 1.00 0.00 H new ATOM 0 HG3 PRO A 3 96.394 67.103 15.916 1.00 0.00 H new ATOM 0 HD2 PRO A 3 96.154 64.804 17.354 1.00 0.00 H new ATOM 0 HD3 PRO A 3 97.652 65.712 17.325 1.00 0.00 H new ATOM 33 N PHE A 4 93.648 66.568 19.183 1.00 0.00 N ATOM 34 CA PHE A 4 92.249 66.472 19.585 1.00 0.00 C ATOM 35 C PHE A 4 91.507 67.772 19.287 1.00 0.00 C ATOM 36 O PHE A 4 90.579 68.147 20.002 1.00 0.00 O ATOM 37 CB PHE A 4 92.147 66.144 21.076 1.00 0.00 C ATOM 38 CG PHE A 4 90.904 65.382 21.438 1.00 0.00 C ATOM 39 CD1 PHE A 4 90.752 64.058 21.058 1.00 0.00 C ATOM 40 CD2 PHE A 4 89.888 65.989 22.158 1.00 0.00 C ATOM 41 CE1 PHE A 4 89.609 63.355 21.389 1.00 0.00 C ATOM 42 CE2 PHE A 4 88.743 65.291 22.492 1.00 0.00 C ATOM 43 CZ PHE A 4 88.603 63.972 22.108 1.00 0.00 C ATOM 0 H PHE A 4 93.936 65.877 18.491 1.00 0.00 H new ATOM 0 HA PHE A 4 91.786 65.670 19.011 1.00 0.00 H new ATOM 0 HB2 PHE A 4 93.020 65.562 21.372 1.00 0.00 H new ATOM 0 HB3 PHE A 4 92.174 67.072 21.647 1.00 0.00 H new ATOM 0 HD1 PHE A 4 91.535 63.570 20.497 1.00 0.00 H new ATOM 0 HD2 PHE A 4 89.992 67.020 22.462 1.00 0.00 H new ATOM 0 HE1 PHE A 4 89.502 62.324 21.086 1.00 0.00 H new ATOM 0 HE2 PHE A 4 87.958 65.777 23.053 1.00 0.00 H new ATOM 0 HZ PHE A 4 87.710 63.424 22.369 1.00 0.00 H new ATOM 53 N ALA A 5 91.925 68.454 18.225 1.00 0.00 N ATOM 54 CA ALA A 5 91.300 69.711 17.831 1.00 0.00 C ATOM 55 C ALA A 5 90.509 69.548 16.537 1.00 0.00 C ATOM 56 O ALA A 5 91.061 69.165 15.505 1.00 0.00 O ATOM 57 CB ALA A 5 92.353 70.798 17.676 1.00 0.00 C ATOM 0 H ALA A 5 92.693 68.157 17.623 1.00 0.00 H new ATOM 0 HA ALA A 5 90.604 70.005 18.617 1.00 0.00 H new ATOM 0 HB1 ALA A 5 91.872 71.731 17.382 1.00 0.00 H new ATOM 0 HB2 ALA A 5 92.871 70.940 18.624 1.00 0.00 H new ATOM 0 HB3 ALA A 5 93.071 70.503 16.911 1.00 0.00 H new ATOM 63 N ASP A 6 89.215 69.841 16.599 1.00 0.00 N ATOM 64 CA ASP A 6 88.349 69.728 15.432 1.00 0.00 C ATOM 65 C ASP A 6 87.986 71.106 14.888 1.00 0.00 C ATOM 66 O ASP A 6 87.062 71.765 15.365 1.00 0.00 O ATOM 67 CB ASP A 6 87.077 68.955 15.787 1.00 0.00 C ATOM 68 CG ASP A 6 86.401 68.361 14.567 1.00 0.00 C ATOM 69 OD1 ASP A 6 87.119 67.944 13.634 1.00 0.00 O ATOM 70 OD2 ASP A 6 85.154 68.313 14.545 1.00 0.00 O ATOM 0 H ASP A 6 88.743 70.159 17.445 1.00 0.00 H new ATOM 0 HA ASP A 6 88.892 69.184 14.659 1.00 0.00 H new ATOM 0 HB2 ASP A 6 87.324 68.157 16.487 1.00 0.00 H new ATOM 0 HB3 ASP A 6 86.381 69.621 16.296 1.00 0.00 H new ATOM 75 N PRO A 7 88.731 71.555 13.867 1.00 0.00 N ATOM 76 CA PRO A 7 88.507 72.859 13.237 1.00 0.00 C ATOM 77 C PRO A 7 87.209 72.901 12.437 1.00 0.00 C ATOM 78 O PRO A 7 86.591 73.955 12.295 1.00 0.00 O ATOM 79 CB PRO A 7 89.713 73.016 12.307 1.00 0.00 C ATOM 80 CG PRO A 7 90.145 71.622 12.009 1.00 0.00 C ATOM 81 CD PRO A 7 89.849 70.823 13.248 1.00 0.00 C ATOM 0 HA PRO A 7 88.413 73.657 13.974 1.00 0.00 H new ATOM 0 HB2 PRO A 7 89.444 73.550 11.396 1.00 0.00 H new ATOM 0 HB3 PRO A 7 90.511 73.584 12.786 1.00 0.00 H new ATOM 0 HG2 PRO A 7 89.607 71.222 11.149 1.00 0.00 H new ATOM 0 HG3 PRO A 7 91.207 71.586 11.766 1.00 0.00 H new ATOM 0 HD2 PRO A 7 89.573 69.796 13.008 1.00 0.00 H new ATOM 0 HD3 PRO A 7 90.713 70.774 13.911 1.00 0.00 H new ATOM 89 N ASN A 8 86.802 71.748 11.917 1.00 0.00 N ATOM 90 CA ASN A 8 85.576 71.654 11.132 1.00 0.00 C ATOM 91 C ASN A 8 84.643 70.591 11.704 1.00 0.00 C ATOM 92 O ASN A 8 85.026 69.431 11.856 1.00 0.00 O ATOM 93 CB ASN A 8 85.905 71.328 9.673 1.00 0.00 C ATOM 94 CG ASN A 8 84.755 71.646 8.737 1.00 0.00 C ATOM 95 OD1 ASN A 8 84.240 70.767 8.047 1.00 0.00 O ATOM 96 ND2 ASN A 8 84.348 72.910 8.709 1.00 0.00 N ATOM 0 H ASN A 8 87.303 70.866 12.025 1.00 0.00 H new ATOM 0 HA ASN A 8 85.070 72.618 11.178 1.00 0.00 H new ATOM 0 HB2 ASN A 8 86.786 71.892 9.367 1.00 0.00 H new ATOM 0 HB3 ASN A 8 86.158 70.271 9.588 1.00 0.00 H new ATOM 0 HD21 ASN A 8 83.579 73.185 8.098 1.00 0.00 H new ATOM 0 HD22 ASN A 8 84.804 73.606 9.299 1.00 0.00 H new ATOM 103 N SER A 9 83.417 70.996 12.020 1.00 0.00 N ATOM 104 CA SER A 9 82.430 70.079 12.579 1.00 0.00 C ATOM 105 C SER A 9 81.136 70.116 11.771 1.00 0.00 C ATOM 106 O SER A 9 80.044 70.223 12.330 1.00 0.00 O ATOM 107 CB SER A 9 82.143 70.434 14.039 1.00 0.00 C ATOM 108 OG SER A 9 81.330 69.449 14.653 1.00 0.00 O ATOM 0 H SER A 9 83.083 71.952 11.899 1.00 0.00 H new ATOM 0 HA SER A 9 82.839 69.070 12.531 1.00 0.00 H new ATOM 0 HB2 SER A 9 83.082 70.527 14.585 1.00 0.00 H new ATOM 0 HB3 SER A 9 81.647 71.403 14.090 1.00 0.00 H new ATOM 0 HG SER A 9 80.523 69.309 14.115 1.00 0.00 H new ATOM 114 N LEU A 10 81.268 70.026 10.452 1.00 0.00 N ATOM 115 CA LEU A 10 80.110 70.049 9.565 1.00 0.00 C ATOM 116 C LEU A 10 80.220 68.965 8.497 1.00 0.00 C ATOM 117 O LEU A 10 81.201 68.908 7.755 1.00 0.00 O ATOM 118 CB LEU A 10 79.977 71.421 8.902 1.00 0.00 C ATOM 119 CG LEU A 10 78.628 71.724 8.250 1.00 0.00 C ATOM 120 CD1 LEU A 10 78.436 73.224 8.090 1.00 0.00 C ATOM 121 CD2 LEU A 10 78.518 71.024 6.903 1.00 0.00 C ATOM 0 H LEU A 10 82.164 69.937 9.974 1.00 0.00 H new ATOM 0 HA LEU A 10 79.221 69.854 10.165 1.00 0.00 H new ATOM 0 HB2 LEU A 10 80.175 72.186 9.653 1.00 0.00 H new ATOM 0 HB3 LEU A 10 80.753 71.512 8.142 1.00 0.00 H new ATOM 0 HG LEU A 10 77.839 71.345 8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 10 77.470 73.420 7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 10 78.470 73.702 9.069 1.00 0.00 H new ATOM 0 HD13 LEU A 10 79.230 73.627 7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 10 77.551 71.251 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 10 79.315 71.372 6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 10 78.609 69.947 7.044 1.00 0.00 H new ATOM 133 N ALA A 11 79.207 68.108 8.424 1.00 0.00 N ATOM 134 CA ALA A 11 79.189 67.028 7.445 1.00 0.00 C ATOM 135 C ALA A 11 77.856 66.288 7.469 1.00 0.00 C ATOM 136 O ALA A 11 76.953 66.638 8.230 1.00 0.00 O ATOM 137 CB ALA A 11 80.337 66.063 7.701 1.00 0.00 C ATOM 0 H ALA A 11 78.388 68.141 9.031 1.00 0.00 H new ATOM 0 HA ALA A 11 79.313 67.466 6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 11 80.311 65.262 6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 11 81.285 66.596 7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 11 80.239 65.638 8.700 1.00 0.00 H new ATOM 143 N LEU A 12 77.739 65.263 6.632 1.00 0.00 N ATOM 144 CA LEU A 12 76.516 64.472 6.557 1.00 0.00 C ATOM 145 C LEU A 12 76.192 63.840 7.907 1.00 0.00 C ATOM 146 O LEU A 12 76.937 64.001 8.874 1.00 0.00 O ATOM 147 CB LEU A 12 76.653 63.383 5.492 1.00 0.00 C ATOM 148 CG LEU A 12 76.876 63.871 4.059 1.00 0.00 C ATOM 149 CD1 LEU A 12 77.268 62.712 3.156 1.00 0.00 C ATOM 150 CD2 LEU A 12 75.627 64.562 3.531 1.00 0.00 C ATOM 0 H LEU A 12 78.476 64.960 5.996 1.00 0.00 H new ATOM 0 HA LEU A 12 75.699 65.139 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 12 77.485 62.735 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 12 75.752 62.770 5.510 1.00 0.00 H new ATOM 0 HG LEU A 12 77.692 64.593 4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 12 77.422 63.078 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 12 78.190 62.260 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 12 76.473 61.966 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 12 75.803 64.903 2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 12 74.792 63.861 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 12 75.390 65.418 4.163 1.00 0.00 H new ATOM 162 N ALA A 13 75.078 63.118 7.965 1.00 0.00 N ATOM 163 CA ALA A 13 74.658 62.458 9.195 1.00 0.00 C ATOM 164 C ALA A 13 75.778 61.592 9.763 1.00 0.00 C ATOM 165 O ALA A 13 76.411 61.952 10.754 1.00 0.00 O ATOM 166 CB ALA A 13 73.414 61.618 8.946 1.00 0.00 C ATOM 0 H ALA A 13 74.450 62.975 7.174 1.00 0.00 H new ATOM 0 HA ALA A 13 74.421 63.229 9.929 1.00 0.00 H new ATOM 0 HB1 ALA A 13 73.112 61.131 9.873 1.00 0.00 H new ATOM 0 HB2 ALA A 13 72.606 62.259 8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 13 73.631 60.861 8.193 1.00 0.00 H new ATOM 172 N ASN A 14 76.016 60.449 9.128 1.00 0.00 N ATOM 173 CA ASN A 14 77.059 59.531 9.572 1.00 0.00 C ATOM 174 C ASN A 14 78.063 59.268 8.453 1.00 0.00 C ATOM 175 O ASN A 14 77.683 58.968 7.321 1.00 0.00 O ATOM 176 CB ASN A 14 76.441 58.212 10.039 1.00 0.00 C ATOM 177 CG ASN A 14 75.930 58.285 11.465 1.00 0.00 C ATOM 178 OD1 ASN A 14 74.729 58.176 11.712 1.00 0.00 O ATOM 179 ND2 ASN A 14 76.843 58.472 12.411 1.00 0.00 N ATOM 0 H ASN A 14 75.501 60.136 8.305 1.00 0.00 H new ATOM 0 HA ASN A 14 77.585 59.993 10.407 1.00 0.00 H new ATOM 0 HB2 ASN A 14 75.619 57.944 9.375 1.00 0.00 H new ATOM 0 HB3 ASN A 14 77.184 57.419 9.963 1.00 0.00 H new ATOM 0 HD21 ASN A 14 76.559 58.531 13.389 1.00 0.00 H new ATOM 0 HD22 ASN A 14 77.828 58.557 12.160 1.00 0.00 H new ATOM 186 N VAL A 15 79.347 59.381 8.779 1.00 0.00 N ATOM 187 CA VAL A 15 80.406 59.154 7.804 1.00 0.00 C ATOM 188 C VAL A 15 81.258 57.950 8.188 1.00 0.00 C ATOM 189 O VAL A 15 81.680 57.797 9.335 1.00 0.00 O ATOM 190 CB VAL A 15 81.316 60.389 7.665 1.00 0.00 C ATOM 191 CG1 VAL A 15 81.926 60.757 9.009 1.00 0.00 C ATOM 192 CG2 VAL A 15 82.401 60.138 6.629 1.00 0.00 C ATOM 0 H VAL A 15 79.678 59.629 9.711 1.00 0.00 H new ATOM 0 HA VAL A 15 79.919 58.961 6.848 1.00 0.00 H new ATOM 0 HB VAL A 15 80.709 61.229 7.326 1.00 0.00 H new ATOM 0 HG11 VAL A 15 82.566 61.632 8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 15 81.131 60.982 9.720 1.00 0.00 H new ATOM 0 HG13 VAL A 15 82.519 59.921 9.380 1.00 0.00 H new ATOM 0 HG21 VAL A 15 83.034 61.021 6.544 1.00 0.00 H new ATOM 0 HG22 VAL A 15 83.007 59.285 6.936 1.00 0.00 H new ATOM 0 HG23 VAL A 15 81.941 59.928 5.664 1.00 0.00 H new ATOM 202 N PRO A 16 81.519 57.072 7.208 1.00 0.00 N ATOM 203 CA PRO A 16 82.324 55.866 7.419 1.00 0.00 C ATOM 204 C PRO A 16 83.796 56.185 7.658 1.00 0.00 C ATOM 205 O PRO A 16 84.416 55.653 8.580 1.00 0.00 O ATOM 206 CB PRO A 16 82.152 55.091 6.110 1.00 0.00 C ATOM 207 CG PRO A 16 81.832 56.131 5.093 1.00 0.00 C ATOM 208 CD PRO A 16 81.049 57.191 5.817 1.00 0.00 C ATOM 0 HA PRO A 16 82.005 55.314 8.303 1.00 0.00 H new ATOM 0 HB2 PRO A 16 83.061 54.548 5.849 1.00 0.00 H new ATOM 0 HB3 PRO A 16 81.352 54.355 6.188 1.00 0.00 H new ATOM 0 HG2 PRO A 16 82.742 56.546 4.659 1.00 0.00 H new ATOM 0 HG3 PRO A 16 81.252 55.709 4.273 1.00 0.00 H new ATOM 0 HD2 PRO A 16 81.244 58.183 5.410 1.00 0.00 H new ATOM 0 HD3 PRO A 16 79.975 57.021 5.740 1.00 0.00 H new ATOM 216 N LEU A 17 84.350 57.058 6.824 1.00 0.00 N ATOM 217 CA LEU A 17 85.750 57.449 6.945 1.00 0.00 C ATOM 218 C LEU A 17 86.666 56.233 6.850 1.00 0.00 C ATOM 219 O LEU A 17 87.725 56.190 7.476 1.00 0.00 O ATOM 220 CB LEU A 17 85.984 58.175 8.271 1.00 0.00 C ATOM 221 CG LEU A 17 87.157 59.157 8.301 1.00 0.00 C ATOM 222 CD1 LEU A 17 86.766 60.476 7.653 1.00 0.00 C ATOM 223 CD2 LEU A 17 87.627 59.381 9.731 1.00 0.00 C ATOM 0 H LEU A 17 83.851 57.508 6.057 1.00 0.00 H new ATOM 0 HA LEU A 17 85.985 58.123 6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 17 85.075 58.718 8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 17 86.142 57.428 9.049 1.00 0.00 H new ATOM 0 HG LEU A 17 87.981 58.727 7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 17 87.613 61.162 7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 17 86.478 60.301 6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 17 85.926 60.912 8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 17 88.462 60.082 9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 17 86.808 59.789 10.323 1.00 0.00 H new ATOM 0 HD23 LEU A 17 87.948 58.432 10.161 1.00 0.00 H new ATOM 235 N SER A 18 86.252 55.247 6.061 1.00 0.00 N ATOM 236 CA SER A 18 87.034 54.029 5.884 1.00 0.00 C ATOM 237 C SER A 18 86.756 53.397 4.524 1.00 0.00 C ATOM 238 O SER A 18 86.008 53.945 3.714 1.00 0.00 O ATOM 239 CB SER A 18 86.718 53.029 6.998 1.00 0.00 C ATOM 240 OG SER A 18 85.666 53.500 7.823 1.00 0.00 O ATOM 0 H SER A 18 85.379 55.268 5.534 1.00 0.00 H new ATOM 0 HA SER A 18 88.090 54.295 5.932 1.00 0.00 H new ATOM 0 HB2 SER A 18 86.440 52.069 6.562 1.00 0.00 H new ATOM 0 HB3 SER A 18 87.609 52.859 7.602 1.00 0.00 H new ATOM 0 HG SER A 18 85.482 52.843 8.526 1.00 0.00 H new ATOM 246 N ARG A 19 87.364 52.241 4.280 1.00 0.00 N ATOM 247 CA ARG A 19 87.183 51.534 3.018 1.00 0.00 C ATOM 248 C ARG A 19 87.046 50.032 3.251 1.00 0.00 C ATOM 249 O ARG A 19 85.956 49.472 3.129 1.00 0.00 O ATOM 250 CB ARG A 19 88.361 51.809 2.082 1.00 0.00 C ATOM 251 CG ARG A 19 88.251 51.103 0.740 1.00 0.00 C ATOM 252 CD ARG A 19 87.056 51.603 -0.056 1.00 0.00 C ATOM 253 NE ARG A 19 87.151 53.031 -0.348 1.00 0.00 N ATOM 254 CZ ARG A 19 87.876 53.531 -1.343 1.00 0.00 C ATOM 255 NH1 ARG A 19 88.564 52.723 -2.137 1.00 0.00 N ATOM 256 NH2 ARG A 19 87.912 54.842 -1.545 1.00 0.00 N ATOM 0 H ARG A 19 87.986 51.774 4.940 1.00 0.00 H new ATOM 0 HA ARG A 19 86.266 51.898 2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 19 88.436 52.883 1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 19 89.284 51.498 2.572 1.00 0.00 H new ATOM 0 HG2 ARG A 19 89.164 51.264 0.167 1.00 0.00 H new ATOM 0 HG3 ARG A 19 88.160 50.029 0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 19 86.984 51.046 -0.990 1.00 0.00 H new ATOM 0 HD3 ARG A 19 86.141 51.407 0.503 1.00 0.00 H new ATOM 0 HE ARG A 19 86.633 53.680 0.244 1.00 0.00 H new ATOM 0 HH11 ARG A 19 88.538 51.715 -1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 19 89.120 53.109 -2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 19 87.383 55.467 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 19 88.469 55.225 -2.309 1.00 0.00 H new ATOM 270 N SER A 20 88.158 49.386 3.587 1.00 0.00 N ATOM 271 CA SER A 20 88.162 47.948 3.832 1.00 0.00 C ATOM 272 C SER A 20 89.522 47.490 4.351 1.00 0.00 C ATOM 273 O SER A 20 90.536 47.616 3.664 1.00 0.00 O ATOM 274 CB SER A 20 87.810 47.190 2.552 1.00 0.00 C ATOM 275 OG SER A 20 88.016 45.797 2.711 1.00 0.00 O ATOM 0 H SER A 20 89.067 49.835 3.696 1.00 0.00 H new ATOM 0 HA SER A 20 87.411 47.731 4.591 1.00 0.00 H new ATOM 0 HB2 SER A 20 86.769 47.379 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 20 88.420 47.559 1.728 1.00 0.00 H new ATOM 0 HG SER A 20 87.782 45.335 1.879 1.00 0.00 H new ATOM 281 N LYS A 21 89.535 46.957 5.568 1.00 0.00 N ATOM 282 CA LYS A 21 90.769 46.478 6.180 1.00 0.00 C ATOM 283 C LYS A 21 90.473 45.443 7.261 1.00 0.00 C ATOM 284 O LYS A 21 89.315 45.107 7.512 1.00 0.00 O ATOM 285 CB LYS A 21 91.552 47.648 6.780 1.00 0.00 C ATOM 286 CG LYS A 21 90.740 48.491 7.748 1.00 0.00 C ATOM 287 CD LYS A 21 91.506 49.728 8.187 1.00 0.00 C ATOM 288 CE LYS A 21 90.700 50.562 9.172 1.00 0.00 C ATOM 289 NZ LYS A 21 90.243 49.756 10.338 1.00 0.00 N ATOM 0 H LYS A 21 88.705 46.846 6.150 1.00 0.00 H new ATOM 0 HA LYS A 21 91.371 46.006 5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 21 92.429 47.260 7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 21 91.914 48.284 5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 21 89.804 48.790 7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 21 90.479 47.894 8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 21 92.448 49.430 8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 21 91.754 50.332 7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 21 91.307 51.397 9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 21 89.835 50.989 8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 89.926 50.392 11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 89.455 49.143 10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 91.029 49.169 10.684 1.00 0.00 H new ATOM 303 N ARG A 22 91.526 44.942 7.898 1.00 0.00 N ATOM 304 CA ARG A 22 91.379 43.945 8.952 1.00 0.00 C ATOM 305 C ARG A 22 90.534 42.768 8.473 1.00 0.00 C ATOM 306 O ARG A 22 89.377 42.604 8.860 1.00 0.00 O ATOM 307 CB ARG A 22 90.740 44.574 10.192 1.00 0.00 C ATOM 308 CG ARG A 22 91.748 45.164 11.164 1.00 0.00 C ATOM 309 CD ARG A 22 91.194 45.214 12.579 1.00 0.00 C ATOM 310 NE ARG A 22 90.983 43.879 13.132 1.00 0.00 N ATOM 311 CZ ARG A 22 90.805 43.639 14.426 1.00 0.00 C ATOM 312 NH1 ARG A 22 90.812 44.639 15.296 1.00 0.00 N ATOM 313 NH2 ARG A 22 90.619 42.396 14.852 1.00 0.00 N ATOM 0 H ARG A 22 92.491 45.210 7.703 1.00 0.00 H new ATOM 0 HA ARG A 22 92.372 43.576 9.210 1.00 0.00 H new ATOM 0 HB2 ARG A 22 90.050 45.357 9.877 1.00 0.00 H new ATOM 0 HB3 ARG A 22 90.149 43.818 10.709 1.00 0.00 H new ATOM 0 HG2 ARG A 22 92.660 44.568 11.150 1.00 0.00 H new ATOM 0 HG3 ARG A 22 92.019 46.170 10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 22 91.882 45.766 13.218 1.00 0.00 H new ATOM 0 HD3 ARG A 22 90.251 45.760 12.580 1.00 0.00 H new ATOM 0 HE ARG A 22 90.972 43.087 12.489 1.00 0.00 H new ATOM 0 HH11 ARG A 22 90.954 45.596 14.972 1.00 0.00 H new ATOM 0 HH12 ARG A 22 90.675 44.452 16.289 1.00 0.00 H new ATOM 0 HH21 ARG A 22 90.613 41.624 14.185 1.00 0.00 H new ATOM 0 HH22 ARG A 22 90.482 42.213 15.846 1.00 0.00 H new ATOM 327 N PRO A 23 91.124 41.929 7.609 1.00 0.00 N ATOM 328 CA PRO A 23 90.444 40.753 7.058 1.00 0.00 C ATOM 329 C PRO A 23 90.218 39.670 8.107 1.00 0.00 C ATOM 330 O PRO A 23 91.151 39.253 8.794 1.00 0.00 O ATOM 331 CB PRO A 23 91.410 40.258 5.978 1.00 0.00 C ATOM 332 CG PRO A 23 92.748 40.751 6.412 1.00 0.00 C ATOM 333 CD PRO A 23 92.501 42.063 7.104 1.00 0.00 C ATOM 0 HA PRO A 23 89.450 40.996 6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 23 91.394 39.171 5.901 1.00 0.00 H new ATOM 0 HB3 PRO A 23 91.142 40.651 4.997 1.00 0.00 H new ATOM 0 HG2 PRO A 23 93.227 40.039 7.084 1.00 0.00 H new ATOM 0 HG3 PRO A 23 93.413 40.879 5.558 1.00 0.00 H new ATOM 0 HD2 PRO A 23 93.211 42.230 7.914 1.00 0.00 H new ATOM 0 HD3 PRO A 23 92.597 42.904 6.417 1.00 0.00 H new ATOM 341 N ASP A 24 88.975 39.218 8.225 1.00 0.00 N ATOM 342 CA ASP A 24 88.626 38.181 9.190 1.00 0.00 C ATOM 343 C ASP A 24 88.887 36.793 8.615 1.00 0.00 C ATOM 344 O ASP A 24 88.427 36.466 7.521 1.00 0.00 O ATOM 345 CB ASP A 24 87.158 38.309 9.601 1.00 0.00 C ATOM 346 CG ASP A 24 86.764 37.302 10.663 1.00 0.00 C ATOM 347 OD1 ASP A 24 86.441 36.152 10.299 1.00 0.00 O ATOM 348 OD2 ASP A 24 86.778 37.664 11.858 1.00 0.00 O ATOM 0 H ASP A 24 88.191 39.553 7.665 1.00 0.00 H new ATOM 0 HA ASP A 24 89.254 38.313 10.071 1.00 0.00 H new ATOM 0 HB2 ASP A 24 86.975 39.317 9.974 1.00 0.00 H new ATOM 0 HB3 ASP A 24 86.525 38.174 8.724 1.00 0.00 H new ATOM 353 N PHE A 25 89.630 35.980 9.358 1.00 0.00 N ATOM 354 CA PHE A 25 89.955 34.627 8.921 1.00 0.00 C ATOM 355 C PHE A 25 90.657 33.850 10.031 1.00 0.00 C ATOM 356 O PHE A 25 91.120 34.430 11.012 1.00 0.00 O ATOM 357 CB PHE A 25 90.841 34.670 7.674 1.00 0.00 C ATOM 358 CG PHE A 25 90.733 33.439 6.820 1.00 0.00 C ATOM 359 CD1 PHE A 25 89.498 32.989 6.382 1.00 0.00 C ATOM 360 CD2 PHE A 25 91.868 32.732 6.455 1.00 0.00 C ATOM 361 CE1 PHE A 25 89.396 31.857 5.596 1.00 0.00 C ATOM 362 CE2 PHE A 25 91.772 31.600 5.668 1.00 0.00 C ATOM 363 CZ PHE A 25 90.534 31.161 5.239 1.00 0.00 C ATOM 0 H PHE A 25 90.019 36.234 10.266 1.00 0.00 H new ATOM 0 HA PHE A 25 89.023 34.117 8.679 1.00 0.00 H new ATOM 0 HB2 PHE A 25 90.572 35.542 7.077 1.00 0.00 H new ATOM 0 HB3 PHE A 25 91.879 34.801 7.980 1.00 0.00 H new ATOM 0 HD1 PHE A 25 88.605 33.529 6.658 1.00 0.00 H new ATOM 0 HD2 PHE A 25 92.838 33.069 6.789 1.00 0.00 H new ATOM 0 HE1 PHE A 25 88.427 31.517 5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 25 92.664 31.059 5.389 1.00 0.00 H new ATOM 0 HZ PHE A 25 90.457 30.275 4.626 1.00 0.00 H new ATOM 373 N GLY A 26 90.731 32.533 9.868 1.00 0.00 N ATOM 374 CA GLY A 26 91.377 31.697 10.863 1.00 0.00 C ATOM 375 C GLY A 26 91.960 30.431 10.267 1.00 0.00 C ATOM 376 O GLY A 26 92.805 30.491 9.375 1.00 0.00 O ATOM 0 H GLY A 26 90.355 32.030 9.064 1.00 0.00 H new ATOM 0 HA2 GLY A 26 92.170 32.264 11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 26 90.654 31.432 11.635 1.00 0.00 H new ATOM 380 N GLN A 27 91.509 29.284 10.764 1.00 0.00 N ATOM 381 CA GLN A 27 91.994 27.998 10.275 1.00 0.00 C ATOM 382 C GLN A 27 90.909 27.269 9.491 1.00 0.00 C ATOM 383 O GLN A 27 89.718 27.510 9.689 1.00 0.00 O ATOM 384 CB GLN A 27 92.466 27.130 11.443 1.00 0.00 C ATOM 385 CG GLN A 27 93.526 26.112 11.055 1.00 0.00 C ATOM 386 CD GLN A 27 94.172 25.454 12.259 1.00 0.00 C ATOM 387 OE1 GLN A 27 94.442 26.107 13.267 1.00 0.00 O ATOM 388 NE2 GLN A 27 94.422 24.154 12.160 1.00 0.00 N ATOM 0 H GLN A 27 90.810 29.218 11.504 1.00 0.00 H new ATOM 0 HA GLN A 27 92.835 28.186 9.607 1.00 0.00 H new ATOM 0 HB2 GLN A 27 92.863 27.775 12.227 1.00 0.00 H new ATOM 0 HB3 GLN A 27 91.608 26.606 11.865 1.00 0.00 H new ATOM 0 HG2 GLN A 27 93.075 25.345 10.425 1.00 0.00 H new ATOM 0 HG3 GLN A 27 94.295 26.603 10.458 1.00 0.00 H new ATOM 0 HE21 GLN A 27 94.181 23.652 11.305 1.00 0.00 H new ATOM 0 HE22 GLN A 27 94.855 23.657 12.939 1.00 0.00 H new ATOM 397 N ARG A 28 91.328 26.377 8.599 1.00 0.00 N ATOM 398 CA ARG A 28 90.391 25.614 7.783 1.00 0.00 C ATOM 399 C ARG A 28 89.744 24.498 8.599 1.00 0.00 C ATOM 400 O ARG A 28 90.175 23.346 8.544 1.00 0.00 O ATOM 401 CB ARG A 28 91.105 25.023 6.567 1.00 0.00 C ATOM 402 CG ARG A 28 90.183 24.758 5.388 1.00 0.00 C ATOM 403 CD ARG A 28 89.471 23.422 5.527 1.00 0.00 C ATOM 404 NE ARG A 28 90.397 22.296 5.435 1.00 0.00 N ATOM 405 CZ ARG A 28 90.014 21.025 5.478 1.00 0.00 C ATOM 406 NH1 ARG A 28 88.731 20.719 5.609 1.00 0.00 N ATOM 407 NH2 ARG A 28 90.916 20.056 5.389 1.00 0.00 N ATOM 0 H ARG A 28 92.310 26.165 8.423 1.00 0.00 H new ATOM 0 HA ARG A 28 89.609 26.292 7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 28 91.895 25.705 6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 28 91.587 24.089 6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 28 89.446 25.558 5.314 1.00 0.00 H new ATOM 0 HG3 ARG A 28 90.760 24.769 4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 28 88.951 23.386 6.484 1.00 0.00 H new ATOM 0 HD3 ARG A 28 88.713 23.332 4.749 1.00 0.00 H new ATOM 0 HE ARG A 28 91.392 22.497 5.332 1.00 0.00 H new ATOM 0 HH11 ARG A 28 88.034 21.461 5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 28 88.441 19.742 5.642 1.00 0.00 H new ATOM 0 HH21 ARG A 28 91.904 20.287 5.288 1.00 0.00 H new ATOM 0 HH22 ARG A 28 90.621 19.080 5.422 1.00 0.00 H new ATOM 421 N ARG A 29 88.709 24.848 9.355 1.00 0.00 N ATOM 422 CA ARG A 29 88.004 23.877 10.182 1.00 0.00 C ATOM 423 C ARG A 29 86.493 24.069 10.079 1.00 0.00 C ATOM 424 O ARG A 29 86.010 25.192 9.929 1.00 0.00 O ATOM 425 CB ARG A 29 88.445 24.002 11.641 1.00 0.00 C ATOM 426 CG ARG A 29 88.300 22.714 12.434 1.00 0.00 C ATOM 427 CD ARG A 29 89.599 21.922 12.453 1.00 0.00 C ATOM 428 NE ARG A 29 89.404 20.563 12.950 1.00 0.00 N ATOM 429 CZ ARG A 29 90.400 19.716 13.184 1.00 0.00 C ATOM 430 NH1 ARG A 29 91.654 20.087 12.969 1.00 0.00 N ATOM 431 NH2 ARG A 29 90.142 18.495 13.635 1.00 0.00 N ATOM 0 H ARG A 29 88.340 25.797 9.412 1.00 0.00 H new ATOM 0 HA ARG A 29 88.252 22.880 9.818 1.00 0.00 H new ATOM 0 HB2 ARG A 29 89.487 24.321 11.671 1.00 0.00 H new ATOM 0 HB3 ARG A 29 87.858 24.784 12.123 1.00 0.00 H new ATOM 0 HG2 ARG A 29 87.999 22.946 13.456 1.00 0.00 H new ATOM 0 HG3 ARG A 29 87.508 22.105 11.999 1.00 0.00 H new ATOM 0 HD2 ARG A 29 90.015 21.884 11.446 1.00 0.00 H new ATOM 0 HD3 ARG A 29 90.328 22.436 13.080 1.00 0.00 H new ATOM 0 HE ARG A 29 88.451 20.247 13.127 1.00 0.00 H new ATOM 0 HH11 ARG A 29 91.856 21.025 12.623 1.00 0.00 H new ATOM 0 HH12 ARG A 29 92.417 19.435 13.150 1.00 0.00 H new ATOM 0 HH21 ARG A 29 89.178 18.206 13.802 1.00 0.00 H new ATOM 0 HH22 ARG A 29 90.908 17.845 13.814 1.00 0.00 H new ATOM 445 N ILE A 30 85.755 22.967 10.159 1.00 0.00 N ATOM 446 CA ILE A 30 84.301 23.015 10.075 1.00 0.00 C ATOM 447 C ILE A 30 83.674 23.155 11.458 1.00 0.00 C ATOM 448 O ILE A 30 82.552 23.643 11.596 1.00 0.00 O ATOM 449 CB ILE A 30 83.735 21.756 9.393 1.00 0.00 C ATOM 450 CG1 ILE A 30 84.514 21.448 8.113 1.00 0.00 C ATOM 451 CG2 ILE A 30 82.255 21.938 9.088 1.00 0.00 C ATOM 452 CD1 ILE A 30 84.543 22.599 7.132 1.00 0.00 C ATOM 0 H ILE A 30 86.140 22.031 10.282 1.00 0.00 H new ATOM 0 HA ILE A 30 84.049 23.889 9.474 1.00 0.00 H new ATOM 0 HB ILE A 30 83.845 20.912 10.074 1.00 0.00 H new ATOM 0 HG12 ILE A 30 85.537 21.179 8.376 1.00 0.00 H new ATOM 0 HG13 ILE A 30 84.071 20.579 7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 30 81.870 21.039 8.606 1.00 0.00 H new ATOM 0 HG22 ILE A 30 81.711 22.114 10.016 1.00 0.00 H new ATOM 0 HG23 ILE A 30 82.123 22.791 8.423 1.00 0.00 H new ATOM 0 HD11 ILE A 30 85.112 22.310 6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 30 83.524 22.854 6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 30 85.014 23.464 7.600 1.00 0.00 H new ATOM 464 N ARG A 31 84.408 22.726 12.480 1.00 0.00 N ATOM 465 CA ARG A 31 83.925 22.805 13.854 1.00 0.00 C ATOM 466 C ARG A 31 83.807 24.257 14.307 1.00 0.00 C ATOM 467 O ARG A 31 83.106 24.562 15.272 1.00 0.00 O ATOM 468 CB ARG A 31 84.862 22.041 14.791 1.00 0.00 C ATOM 469 CG ARG A 31 84.989 20.564 14.456 1.00 0.00 C ATOM 470 CD ARG A 31 85.575 19.777 15.617 1.00 0.00 C ATOM 471 NE ARG A 31 85.126 18.388 15.619 1.00 0.00 N ATOM 472 CZ ARG A 31 85.639 17.451 16.409 1.00 0.00 C ATOM 473 NH1 ARG A 31 86.612 17.754 17.257 1.00 0.00 N ATOM 474 NH2 ARG A 31 85.177 16.208 16.352 1.00 0.00 N ATOM 0 H ARG A 31 85.339 22.320 12.383 1.00 0.00 H new ATOM 0 HA ARG A 31 82.935 22.350 13.891 1.00 0.00 H new ATOM 0 HB2 ARG A 31 85.850 22.499 14.755 1.00 0.00 H new ATOM 0 HB3 ARG A 31 84.501 22.143 15.814 1.00 0.00 H new ATOM 0 HG2 ARG A 31 84.008 20.162 14.201 1.00 0.00 H new ATOM 0 HG3 ARG A 31 85.622 20.442 13.577 1.00 0.00 H new ATOM 0 HD2 ARG A 31 86.663 19.806 15.562 1.00 0.00 H new ATOM 0 HD3 ARG A 31 85.291 20.251 16.556 1.00 0.00 H new ATOM 0 HE ARG A 31 84.378 18.122 14.979 1.00 0.00 H new ATOM 0 HH11 ARG A 31 86.969 18.708 17.304 1.00 0.00 H new ATOM 0 HH12 ARG A 31 87.004 17.033 17.862 1.00 0.00 H new ATOM 0 HH21 ARG A 31 84.428 15.972 15.701 1.00 0.00 H new ATOM 0 HH22 ARG A 31 85.571 15.489 16.959 1.00 0.00 H new ATOM 488 N ARG A 32 84.497 25.149 13.603 1.00 0.00 N ATOM 489 CA ARG A 32 84.471 26.568 13.934 1.00 0.00 C ATOM 490 C ARG A 32 83.270 27.254 13.291 1.00 0.00 C ATOM 491 O ARG A 32 82.675 26.753 12.336 1.00 0.00 O ATOM 492 CB ARG A 32 85.764 27.244 13.475 1.00 0.00 C ATOM 493 CG ARG A 32 86.869 27.219 14.519 1.00 0.00 C ATOM 494 CD ARG A 32 87.963 28.225 14.197 1.00 0.00 C ATOM 495 NE ARG A 32 89.110 28.090 15.090 1.00 0.00 N ATOM 496 CZ ARG A 32 90.012 29.047 15.277 1.00 0.00 C ATOM 497 NH1 ARG A 32 89.900 30.203 14.637 1.00 0.00 N ATOM 498 NH2 ARG A 32 91.029 28.850 16.107 1.00 0.00 N ATOM 0 H ARG A 32 85.081 24.914 12.800 1.00 0.00 H new ATOM 0 HA ARG A 32 84.385 26.662 15.017 1.00 0.00 H new ATOM 0 HB2 ARG A 32 86.120 26.752 12.570 1.00 0.00 H new ATOM 0 HB3 ARG A 32 85.549 28.279 13.211 1.00 0.00 H new ATOM 0 HG2 ARG A 32 86.449 27.439 15.500 1.00 0.00 H new ATOM 0 HG3 ARG A 32 87.298 26.218 14.573 1.00 0.00 H new ATOM 0 HD2 ARG A 32 88.288 28.089 13.166 1.00 0.00 H new ATOM 0 HD3 ARG A 32 87.561 29.235 14.274 1.00 0.00 H new ATOM 0 HE ARG A 32 89.225 27.213 15.598 1.00 0.00 H new ATOM 0 HH11 ARG A 32 89.120 30.359 13.999 1.00 0.00 H new ATOM 0 HH12 ARG A 32 90.594 30.936 14.783 1.00 0.00 H new ATOM 0 HH21 ARG A 32 91.119 27.963 16.602 1.00 0.00 H new ATOM 0 HH22 ARG A 32 91.721 29.586 16.250 1.00 0.00 H new ATOM 512 N PRO A 33 82.903 28.429 13.824 1.00 0.00 N ATOM 513 CA PRO A 33 81.770 29.209 13.318 1.00 0.00 C ATOM 514 C PRO A 33 82.047 29.809 11.944 1.00 0.00 C ATOM 515 O PRO A 33 83.094 29.561 11.347 1.00 0.00 O ATOM 516 CB PRO A 33 81.607 30.317 14.362 1.00 0.00 C ATOM 517 CG PRO A 33 82.957 30.461 14.975 1.00 0.00 C ATOM 518 CD PRO A 33 83.566 29.086 14.963 1.00 0.00 C ATOM 0 HA PRO A 33 80.879 28.595 13.186 1.00 0.00 H new ATOM 0 HB2 PRO A 33 81.280 31.249 13.902 1.00 0.00 H new ATOM 0 HB3 PRO A 33 80.859 30.050 15.109 1.00 0.00 H new ATOM 0 HG2 PRO A 33 83.569 31.164 14.410 1.00 0.00 H new ATOM 0 HG3 PRO A 33 82.885 30.847 15.992 1.00 0.00 H new ATOM 0 HD2 PRO A 33 84.647 29.127 14.830 1.00 0.00 H new ATOM 0 HD3 PRO A 33 83.380 28.556 15.897 1.00 0.00 H new ATOM 526 N PHE A 34 81.101 30.599 11.447 1.00 0.00 N ATOM 527 CA PHE A 34 81.243 31.234 10.142 1.00 0.00 C ATOM 528 C PHE A 34 81.270 32.754 10.277 1.00 0.00 C ATOM 529 O PHE A 34 80.884 33.305 11.308 1.00 0.00 O ATOM 530 CB PHE A 34 80.098 30.813 9.218 1.00 0.00 C ATOM 531 CG PHE A 34 78.791 30.621 9.933 1.00 0.00 C ATOM 532 CD1 PHE A 34 78.260 31.632 10.716 1.00 0.00 C ATOM 533 CD2 PHE A 34 78.095 29.428 9.822 1.00 0.00 C ATOM 534 CE1 PHE A 34 77.057 31.459 11.375 1.00 0.00 C ATOM 535 CE2 PHE A 34 76.891 29.249 10.478 1.00 0.00 C ATOM 536 CZ PHE A 34 76.372 30.266 11.256 1.00 0.00 C ATOM 0 H PHE A 34 80.228 30.815 11.928 1.00 0.00 H new ATOM 0 HA PHE A 34 82.188 30.908 9.708 1.00 0.00 H new ATOM 0 HB2 PHE A 34 79.971 31.568 8.442 1.00 0.00 H new ATOM 0 HB3 PHE A 34 80.369 29.884 8.717 1.00 0.00 H new ATOM 0 HD1 PHE A 34 78.792 32.567 10.813 1.00 0.00 H new ATOM 0 HD2 PHE A 34 78.497 28.629 9.217 1.00 0.00 H new ATOM 0 HE1 PHE A 34 76.654 32.256 11.982 1.00 0.00 H new ATOM 0 HE2 PHE A 34 76.357 28.315 10.382 1.00 0.00 H new ATOM 0 HZ PHE A 34 75.432 30.128 11.770 1.00 0.00 H new ATOM 546 N THR A 35 81.728 33.427 9.226 1.00 0.00 N ATOM 547 CA THR A 35 81.807 34.883 9.226 1.00 0.00 C ATOM 548 C THR A 35 80.627 35.497 8.483 1.00 0.00 C ATOM 549 O THR A 35 80.082 34.896 7.558 1.00 0.00 O ATOM 550 CB THR A 35 83.118 35.374 8.582 1.00 0.00 C ATOM 551 OG1 THR A 35 84.202 34.522 8.967 1.00 0.00 O ATOM 552 CG2 THR A 35 83.420 36.806 8.996 1.00 0.00 C ATOM 0 H THR A 35 82.050 32.987 8.364 1.00 0.00 H new ATOM 0 HA THR A 35 81.782 35.202 10.268 1.00 0.00 H new ATOM 0 HB THR A 35 82.999 35.343 7.499 1.00 0.00 H new ATOM 0 HG1 THR A 35 84.899 35.056 9.402 1.00 0.00 H new ATOM 0 HG21 THR A 35 84.350 37.131 8.529 1.00 0.00 H new ATOM 0 HG22 THR A 35 82.606 37.457 8.676 1.00 0.00 H new ATOM 0 HG23 THR A 35 83.521 36.858 10.080 1.00 0.00 H new ATOM 560 N VAL A 36 80.237 36.700 8.892 1.00 0.00 N ATOM 561 CA VAL A 36 79.122 37.398 8.263 1.00 0.00 C ATOM 562 C VAL A 36 79.289 37.447 6.749 1.00 0.00 C ATOM 563 O VAL A 36 78.316 37.341 6.003 1.00 0.00 O ATOM 564 CB VAL A 36 78.984 38.835 8.801 1.00 0.00 C ATOM 565 CG1 VAL A 36 80.270 39.615 8.577 1.00 0.00 C ATOM 566 CG2 VAL A 36 77.804 39.537 8.146 1.00 0.00 C ATOM 0 H VAL A 36 80.677 37.212 9.657 1.00 0.00 H new ATOM 0 HA VAL A 36 78.219 36.839 8.508 1.00 0.00 H new ATOM 0 HB VAL A 36 78.799 38.787 9.874 1.00 0.00 H new ATOM 0 HG11 VAL A 36 80.153 40.628 8.963 1.00 0.00 H new ATOM 0 HG12 VAL A 36 81.091 39.121 9.097 1.00 0.00 H new ATOM 0 HG13 VAL A 36 80.489 39.657 7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 36 77.721 40.551 8.537 1.00 0.00 H new ATOM 0 HG22 VAL A 36 77.957 39.576 7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 36 76.888 38.988 8.363 1.00 0.00 H new ATOM 576 N ALA A 37 80.530 37.609 6.301 1.00 0.00 N ATOM 577 CA ALA A 37 80.825 37.670 4.875 1.00 0.00 C ATOM 578 C ALA A 37 80.684 36.298 4.226 1.00 0.00 C ATOM 579 O ALA A 37 80.033 36.155 3.191 1.00 0.00 O ATOM 580 CB ALA A 37 82.225 38.222 4.649 1.00 0.00 C ATOM 0 H ALA A 37 81.347 37.700 6.905 1.00 0.00 H new ATOM 0 HA ALA A 37 80.103 38.339 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 37 82.432 38.262 3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 37 82.293 39.225 5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 37 82.954 37.575 5.136 1.00 0.00 H new ATOM 586 N GLU A 38 81.299 35.292 4.840 1.00 0.00 N ATOM 587 CA GLU A 38 81.242 33.931 4.319 1.00 0.00 C ATOM 588 C GLU A 38 79.799 33.441 4.233 1.00 0.00 C ATOM 589 O GLU A 38 79.396 32.835 3.241 1.00 0.00 O ATOM 590 CB GLU A 38 82.060 32.988 5.204 1.00 0.00 C ATOM 591 CG GLU A 38 83.562 33.181 5.074 1.00 0.00 C ATOM 592 CD GLU A 38 84.065 32.914 3.669 1.00 0.00 C ATOM 593 OE1 GLU A 38 83.422 32.119 2.951 1.00 0.00 O ATOM 594 OE2 GLU A 38 85.101 33.497 3.288 1.00 0.00 O ATOM 0 H GLU A 38 81.842 35.394 5.698 1.00 0.00 H new ATOM 0 HA GLU A 38 81.666 33.936 3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.772 33.138 6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.811 31.958 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.820 34.201 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 38 84.072 32.516 5.771 1.00 0.00 H new ATOM 601 N VAL A 39 79.026 33.708 5.281 1.00 0.00 N ATOM 602 CA VAL A 39 77.628 33.296 5.325 1.00 0.00 C ATOM 603 C VAL A 39 76.808 34.022 4.265 1.00 0.00 C ATOM 604 O VAL A 39 75.996 33.412 3.570 1.00 0.00 O ATOM 605 CB VAL A 39 77.008 33.561 6.710 1.00 0.00 C ATOM 606 CG1 VAL A 39 75.538 33.171 6.720 1.00 0.00 C ATOM 607 CG2 VAL A 39 77.775 32.812 7.789 1.00 0.00 C ATOM 0 H VAL A 39 79.344 34.208 6.111 1.00 0.00 H new ATOM 0 HA VAL A 39 77.607 32.225 5.125 1.00 0.00 H new ATOM 0 HB VAL A 39 77.077 34.628 6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.117 33.365 7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.001 33.757 5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 39 75.441 32.111 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 39 77.323 33.011 8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.740 31.742 7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 39 78.813 33.146 7.796 1.00 0.00 H new ATOM 617 N GLU A 40 77.026 35.328 4.147 1.00 0.00 N ATOM 618 CA GLU A 40 76.306 36.137 3.171 1.00 0.00 C ATOM 619 C GLU A 40 76.447 35.552 1.769 1.00 0.00 C ATOM 620 O GLU A 40 75.457 35.351 1.065 1.00 0.00 O ATOM 621 CB GLU A 40 76.822 37.577 3.190 1.00 0.00 C ATOM 622 CG GLU A 40 76.123 38.461 4.209 1.00 0.00 C ATOM 623 CD GLU A 40 76.833 39.785 4.418 1.00 0.00 C ATOM 624 OE1 GLU A 40 77.977 39.926 3.936 1.00 0.00 O ATOM 625 OE2 GLU A 40 76.247 40.678 5.063 1.00 0.00 O ATOM 0 H GLU A 40 77.695 35.848 4.715 1.00 0.00 H new ATOM 0 HA GLU A 40 75.250 36.134 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.891 37.568 3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 40 76.697 38.012 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 40 75.101 38.649 3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 40 76.060 37.933 5.160 1.00 0.00 H new ATOM 632 N LEU A 41 77.685 35.282 1.370 1.00 0.00 N ATOM 633 CA LEU A 41 77.958 34.720 0.051 1.00 0.00 C ATOM 634 C LEU A 41 77.391 33.309 -0.068 1.00 0.00 C ATOM 635 O LEU A 41 76.918 32.906 -1.131 1.00 0.00 O ATOM 636 CB LEU A 41 79.464 34.702 -0.215 1.00 0.00 C ATOM 637 CG LEU A 41 80.201 36.024 0.002 1.00 0.00 C ATOM 638 CD1 LEU A 41 81.689 35.780 0.197 1.00 0.00 C ATOM 639 CD2 LEU A 41 79.961 36.967 -1.168 1.00 0.00 C ATOM 0 H LEU A 41 78.515 35.443 1.940 1.00 0.00 H new ATOM 0 HA LEU A 41 77.472 35.350 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 41 79.917 33.947 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 41 79.627 34.383 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 41 79.810 36.492 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.197 36.732 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.842 35.143 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.096 35.290 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 41 80.493 37.903 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 41 80.324 36.507 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 41 78.894 37.168 -1.260 1.00 0.00 H new ATOM 651 N LEU A 42 77.441 32.563 1.030 1.00 0.00 N ATOM 652 CA LEU A 42 76.931 31.197 1.050 1.00 0.00 C ATOM 653 C LEU A 42 75.419 31.177 0.851 1.00 0.00 C ATOM 654 O LEU A 42 74.920 30.654 -0.145 1.00 0.00 O ATOM 655 CB LEU A 42 77.291 30.516 2.372 1.00 0.00 C ATOM 656 CG LEU A 42 76.367 29.382 2.817 1.00 0.00 C ATOM 657 CD1 LEU A 42 76.259 28.324 1.730 1.00 0.00 C ATOM 658 CD2 LEU A 42 76.866 28.766 4.116 1.00 0.00 C ATOM 0 H LEU A 42 77.829 32.881 1.918 1.00 0.00 H new ATOM 0 HA LEU A 42 77.395 30.651 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 42 78.304 30.121 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 42 77.306 31.274 3.155 1.00 0.00 H new ATOM 0 HG LEU A 42 75.374 29.796 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 42 75.597 27.525 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.855 28.774 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.247 27.914 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.196 27.961 4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 42 77.869 28.367 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 42 76.890 29.529 4.895 1.00 0.00 H new ATOM 670 N VAL A 43 74.694 31.753 1.805 1.00 0.00 N ATOM 671 CA VAL A 43 73.238 31.805 1.733 1.00 0.00 C ATOM 672 C VAL A 43 72.775 32.416 0.416 1.00 0.00 C ATOM 673 O VAL A 43 71.816 31.944 -0.195 1.00 0.00 O ATOM 674 CB VAL A 43 72.647 32.619 2.900 1.00 0.00 C ATOM 675 CG1 VAL A 43 73.105 34.067 2.827 1.00 0.00 C ATOM 676 CG2 VAL A 43 71.129 32.530 2.896 1.00 0.00 C ATOM 0 H VAL A 43 75.091 32.190 2.637 1.00 0.00 H new ATOM 0 HA VAL A 43 72.881 30.777 1.799 1.00 0.00 H new ATOM 0 HB VAL A 43 73.010 32.195 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 43 72.678 34.626 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 43 74.193 34.108 2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 43 72.773 34.506 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 43 70.728 33.111 3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 43 70.744 32.927 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 43 70.825 31.488 3.001 1.00 0.00 H new ATOM 686 N GLU A 44 73.462 33.469 -0.017 1.00 0.00 N ATOM 687 CA GLU A 44 73.120 34.145 -1.263 1.00 0.00 C ATOM 688 C GLU A 44 73.371 33.235 -2.462 1.00 0.00 C ATOM 689 O GLU A 44 72.658 33.300 -3.463 1.00 0.00 O ATOM 690 CB GLU A 44 73.930 35.434 -1.408 1.00 0.00 C ATOM 691 CG GLU A 44 73.555 36.254 -2.632 1.00 0.00 C ATOM 692 CD GLU A 44 74.530 37.384 -2.898 1.00 0.00 C ATOM 693 OE1 GLU A 44 75.747 37.175 -2.707 1.00 0.00 O ATOM 694 OE2 GLU A 44 74.077 38.478 -3.296 1.00 0.00 O ATOM 0 H GLU A 44 74.258 33.872 0.477 1.00 0.00 H new ATOM 0 HA GLU A 44 72.059 34.393 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 44 73.790 36.044 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 44 74.990 35.184 -1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 44 73.515 35.601 -3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 44 72.555 36.666 -2.496 1.00 0.00 H new ATOM 701 N ALA A 45 74.389 32.388 -2.352 1.00 0.00 N ATOM 702 CA ALA A 45 74.733 31.464 -3.425 1.00 0.00 C ATOM 703 C ALA A 45 73.628 30.436 -3.641 1.00 0.00 C ATOM 704 O ALA A 45 73.191 30.207 -4.769 1.00 0.00 O ATOM 705 CB ALA A 45 76.051 30.768 -3.119 1.00 0.00 C ATOM 0 H ALA A 45 74.990 32.323 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 45 74.842 32.039 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 45 76.296 30.081 -3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 45 76.842 31.512 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 45 75.961 30.212 -2.186 1.00 0.00 H new ATOM 711 N VAL A 46 73.179 29.820 -2.552 1.00 0.00 N ATOM 712 CA VAL A 46 72.123 28.816 -2.623 1.00 0.00 C ATOM 713 C VAL A 46 70.760 29.466 -2.829 1.00 0.00 C ATOM 714 O VAL A 46 69.881 28.896 -3.475 1.00 0.00 O ATOM 715 CB VAL A 46 72.081 27.955 -1.346 1.00 0.00 C ATOM 716 CG1 VAL A 46 72.045 28.838 -0.108 1.00 0.00 C ATOM 717 CG2 VAL A 46 70.885 27.016 -1.377 1.00 0.00 C ATOM 0 H VAL A 46 73.529 29.998 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 46 72.350 28.177 -3.476 1.00 0.00 H new ATOM 0 HB VAL A 46 72.987 27.351 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 46 72.016 28.213 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 46 72.936 29.465 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 46 71.157 29.470 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 46 70.870 26.415 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 46 69.966 27.599 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 46 70.960 26.360 -2.244 1.00 0.00 H new ATOM 727 N GLU A 47 70.591 30.664 -2.277 1.00 0.00 N ATOM 728 CA GLU A 47 69.334 31.391 -2.401 1.00 0.00 C ATOM 729 C GLU A 47 69.141 31.906 -3.824 1.00 0.00 C ATOM 730 O GLU A 47 68.065 31.766 -4.406 1.00 0.00 O ATOM 731 CB GLU A 47 69.296 32.561 -1.415 1.00 0.00 C ATOM 732 CG GLU A 47 68.125 33.503 -1.633 1.00 0.00 C ATOM 733 CD GLU A 47 68.139 34.683 -0.679 1.00 0.00 C ATOM 734 OE1 GLU A 47 68.909 34.642 0.303 1.00 0.00 O ATOM 735 OE2 GLU A 47 67.381 35.646 -0.917 1.00 0.00 O ATOM 0 H GLU A 47 71.309 31.151 -1.740 1.00 0.00 H new ATOM 0 HA GLU A 47 68.522 30.702 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 47 69.251 32.168 -0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 47 70.225 33.125 -1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 47 68.145 33.870 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 47 67.193 32.952 -1.510 1.00 0.00 H new ATOM 742 N HIS A 48 70.191 32.502 -4.379 1.00 0.00 N ATOM 743 CA HIS A 48 70.138 33.038 -5.735 1.00 0.00 C ATOM 744 C HIS A 48 69.615 31.991 -6.713 1.00 0.00 C ATOM 745 O HIS A 48 69.004 32.326 -7.729 1.00 0.00 O ATOM 746 CB HIS A 48 71.524 33.515 -6.172 1.00 0.00 C ATOM 747 CG HIS A 48 71.524 34.230 -7.488 1.00 0.00 C ATOM 748 ND1 HIS A 48 71.380 35.596 -7.602 1.00 0.00 N ATOM 749 CD2 HIS A 48 71.653 33.760 -8.751 1.00 0.00 C ATOM 750 CE1 HIS A 48 71.419 35.936 -8.878 1.00 0.00 C ATOM 751 NE2 HIS A 48 71.584 34.840 -9.596 1.00 0.00 N ATOM 0 H HIS A 48 71.089 32.626 -3.911 1.00 0.00 H new ATOM 0 HA HIS A 48 69.453 33.886 -5.738 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.929 34.178 -5.408 1.00 0.00 H new ATOM 0 HB3 HIS A 48 72.192 32.656 -6.235 1.00 0.00 H new ATOM 0 HD2 HIS A 48 71.785 32.728 -9.040 1.00 0.00 H new ATOM 0 HE1 HIS A 48 71.331 36.939 -9.268 1.00 0.00 H new ATOM 0 HE2 HIS A 48 71.650 34.802 -10.613 1.00 0.00 H new ATOM 759 N LEU A 49 69.860 30.723 -6.401 1.00 0.00 N ATOM 760 CA LEU A 49 69.414 29.626 -7.253 1.00 0.00 C ATOM 761 C LEU A 49 68.193 28.934 -6.656 1.00 0.00 C ATOM 762 O LEU A 49 67.497 28.184 -7.338 1.00 0.00 O ATOM 763 CB LEU A 49 70.544 28.614 -7.448 1.00 0.00 C ATOM 764 CG LEU A 49 71.926 29.199 -7.741 1.00 0.00 C ATOM 765 CD1 LEU A 49 73.017 28.220 -7.334 1.00 0.00 C ATOM 766 CD2 LEU A 49 72.052 29.558 -9.214 1.00 0.00 C ATOM 0 H LEU A 49 70.365 30.429 -5.565 1.00 0.00 H new ATOM 0 HA LEU A 49 69.135 30.041 -8.222 1.00 0.00 H new ATOM 0 HB2 LEU A 49 70.614 28.001 -6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 49 70.272 27.949 -8.268 1.00 0.00 H new ATOM 0 HG LEU A 49 72.046 30.110 -7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 49 73.994 28.653 -7.550 1.00 0.00 H new ATOM 0 HD12 LEU A 49 72.940 28.012 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 49 72.900 27.292 -7.893 1.00 0.00 H new ATOM 0 HD21 LEU A 49 73.042 29.973 -9.404 1.00 0.00 H new ATOM 0 HD22 LEU A 49 71.911 28.663 -9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 49 71.293 30.296 -9.475 1.00 0.00 H new ATOM 778 N GLY A 50 67.939 29.193 -5.377 1.00 0.00 N ATOM 779 CA GLY A 50 66.801 28.589 -4.710 1.00 0.00 C ATOM 780 C GLY A 50 67.110 27.206 -4.173 1.00 0.00 C ATOM 781 O GLY A 50 67.746 27.064 -3.127 1.00 0.00 O ATOM 0 H GLY A 50 68.501 29.810 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 50 66.482 29.231 -3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 50 65.966 28.526 -5.408 1.00 0.00 H new ATOM 785 N THR A 51 66.659 26.180 -4.888 1.00 0.00 N ATOM 786 CA THR A 51 66.889 24.801 -4.477 1.00 0.00 C ATOM 787 C THR A 51 67.216 23.917 -5.674 1.00 0.00 C ATOM 788 O THR A 51 66.327 23.320 -6.279 1.00 0.00 O ATOM 789 CB THR A 51 65.663 24.221 -3.745 1.00 0.00 C ATOM 790 OG1 THR A 51 65.808 22.805 -3.593 1.00 0.00 O ATOM 791 CG2 THR A 51 64.383 24.527 -4.508 1.00 0.00 C ATOM 0 H THR A 51 66.132 26.279 -5.756 1.00 0.00 H new ATOM 0 HA THR A 51 67.739 24.813 -3.795 1.00 0.00 H new ATOM 0 HB THR A 51 65.600 24.686 -2.761 1.00 0.00 H new ATOM 0 HG1 THR A 51 65.026 22.444 -3.126 1.00 0.00 H new ATOM 0 HG21 THR A 51 63.531 24.108 -3.972 1.00 0.00 H new ATOM 0 HG22 THR A 51 64.261 25.607 -4.596 1.00 0.00 H new ATOM 0 HG23 THR A 51 64.438 24.086 -5.503 1.00 0.00 H new ATOM 799 N GLY A 52 68.500 23.837 -6.012 1.00 0.00 N ATOM 800 CA GLY A 52 68.922 23.022 -7.137 1.00 0.00 C ATOM 801 C GLY A 52 70.181 22.233 -6.840 1.00 0.00 C ATOM 802 O GLY A 52 70.242 21.494 -5.858 1.00 0.00 O ATOM 0 H GLY A 52 69.255 24.322 -5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.120 22.334 -7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.094 23.663 -8.002 1.00 0.00 H new ATOM 806 N ARG A 53 71.189 22.388 -7.693 1.00 0.00 N ATOM 807 CA ARG A 53 72.453 21.682 -7.519 1.00 0.00 C ATOM 808 C ARG A 53 73.391 22.464 -6.605 1.00 0.00 C ATOM 809 O ARG A 53 73.416 23.694 -6.631 1.00 0.00 O ATOM 810 CB ARG A 53 73.121 21.447 -8.874 1.00 0.00 C ATOM 811 CG ARG A 53 72.362 20.481 -9.769 1.00 0.00 C ATOM 812 CD ARG A 53 72.835 19.050 -9.570 1.00 0.00 C ATOM 813 NE ARG A 53 72.411 18.177 -10.662 1.00 0.00 N ATOM 814 CZ ARG A 53 73.038 18.104 -11.831 1.00 0.00 C ATOM 815 NH1 ARG A 53 74.111 18.849 -12.058 1.00 0.00 N ATOM 816 NH2 ARG A 53 72.591 17.286 -12.775 1.00 0.00 N ATOM 0 H ARG A 53 71.155 22.996 -8.511 1.00 0.00 H new ATOM 0 HA ARG A 53 72.242 20.719 -7.055 1.00 0.00 H new ATOM 0 HB2 ARG A 53 73.223 22.402 -9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 53 74.128 21.063 -8.711 1.00 0.00 H new ATOM 0 HG2 ARG A 53 71.295 20.546 -9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 53 72.496 20.768 -10.812 1.00 0.00 H new ATOM 0 HD2 ARG A 53 73.922 19.035 -9.495 1.00 0.00 H new ATOM 0 HD3 ARG A 53 72.445 18.667 -8.627 1.00 0.00 H new ATOM 0 HE ARG A 53 71.588 17.591 -10.519 1.00 0.00 H new ATOM 0 HH11 ARG A 53 74.456 19.480 -11.334 1.00 0.00 H new ATOM 0 HH12 ARG A 53 74.591 18.792 -12.956 1.00 0.00 H new ATOM 0 HH21 ARG A 53 71.765 16.712 -12.604 1.00 0.00 H new ATOM 0 HH22 ARG A 53 73.073 17.231 -13.672 1.00 0.00 H new ATOM 830 N TRP A 54 74.160 21.742 -5.798 1.00 0.00 N ATOM 831 CA TRP A 54 75.101 22.368 -4.876 1.00 0.00 C ATOM 832 C TRP A 54 76.222 23.070 -5.634 1.00 0.00 C ATOM 833 O TRP A 54 76.594 24.197 -5.307 1.00 0.00 O ATOM 834 CB TRP A 54 75.687 21.323 -3.925 1.00 0.00 C ATOM 835 CG TRP A 54 74.655 20.410 -3.336 1.00 0.00 C ATOM 836 CD1 TRP A 54 73.365 20.728 -3.020 1.00 0.00 C ATOM 837 CD2 TRP A 54 74.827 19.032 -2.990 1.00 0.00 C ATOM 838 NE1 TRP A 54 72.724 19.629 -2.499 1.00 0.00 N ATOM 839 CE2 TRP A 54 73.600 18.576 -2.471 1.00 0.00 C ATOM 840 CE3 TRP A 54 75.898 18.138 -3.070 1.00 0.00 C ATOM 841 CZ2 TRP A 54 73.417 17.267 -2.034 1.00 0.00 C ATOM 842 CZ3 TRP A 54 75.715 16.839 -2.635 1.00 0.00 C ATOM 843 CH2 TRP A 54 74.482 16.413 -2.123 1.00 0.00 C ATOM 0 H TRP A 54 74.151 20.723 -5.763 1.00 0.00 H new ATOM 0 HA TRP A 54 74.559 23.114 -4.295 1.00 0.00 H new ATOM 0 HB2 TRP A 54 76.425 20.727 -4.462 1.00 0.00 H new ATOM 0 HB3 TRP A 54 76.214 21.832 -3.118 1.00 0.00 H new ATOM 0 HD1 TRP A 54 72.915 21.700 -3.159 1.00 0.00 H new ATOM 0 HE1 TRP A 54 71.754 19.602 -2.184 1.00 0.00 H new ATOM 0 HE3 TRP A 54 76.852 18.456 -3.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 72.468 16.937 -1.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 76.536 16.140 -2.691 1.00 0.00 H new ATOM 0 HH2 TRP A 54 74.370 15.391 -1.792 1.00 0.00 H new ATOM 854 N ARG A 55 76.756 22.397 -6.648 1.00 0.00 N ATOM 855 CA ARG A 55 77.836 22.956 -7.452 1.00 0.00 C ATOM 856 C ARG A 55 77.446 24.321 -8.012 1.00 0.00 C ATOM 857 O ARG A 55 78.304 25.165 -8.273 1.00 0.00 O ATOM 858 CB ARG A 55 78.193 22.007 -8.597 1.00 0.00 C ATOM 859 CG ARG A 55 77.159 21.979 -9.710 1.00 0.00 C ATOM 860 CD ARG A 55 77.470 20.898 -10.733 1.00 0.00 C ATOM 861 NE ARG A 55 77.015 21.263 -12.072 1.00 0.00 N ATOM 862 CZ ARG A 55 77.624 22.165 -12.834 1.00 0.00 C ATOM 863 NH1 ARG A 55 78.708 22.788 -12.393 1.00 0.00 N ATOM 864 NH2 ARG A 55 77.150 22.443 -14.042 1.00 0.00 N ATOM 0 H ARG A 55 76.458 21.464 -6.932 1.00 0.00 H new ATOM 0 HA ARG A 55 78.707 23.081 -6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 55 79.156 22.301 -9.015 1.00 0.00 H new ATOM 0 HB3 ARG A 55 78.313 21.000 -8.199 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.170 21.806 -9.285 1.00 0.00 H new ATOM 0 HG3 ARG A 55 77.128 22.950 -10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 55 78.545 20.716 -10.753 1.00 0.00 H new ATOM 0 HD3 ARG A 55 76.994 19.965 -10.430 1.00 0.00 H new ATOM 0 HE ARG A 55 76.185 20.800 -12.442 1.00 0.00 H new ATOM 0 HH11 ARG A 55 79.077 22.575 -11.466 1.00 0.00 H new ATOM 0 HH12 ARG A 55 79.173 23.480 -12.981 1.00 0.00 H new ATOM 0 HH21 ARG A 55 76.318 21.964 -14.386 1.00 0.00 H new ATOM 0 HH22 ARG A 55 77.618 23.136 -14.627 1.00 0.00 H new ATOM 878 N ASP A 56 76.147 24.530 -8.194 1.00 0.00 N ATOM 879 CA ASP A 56 75.642 25.792 -8.723 1.00 0.00 C ATOM 880 C ASP A 56 75.866 26.927 -7.728 1.00 0.00 C ATOM 881 O ASP A 56 76.253 28.032 -8.107 1.00 0.00 O ATOM 882 CB ASP A 56 74.153 25.673 -9.053 1.00 0.00 C ATOM 883 CG ASP A 56 73.708 26.684 -10.091 1.00 0.00 C ATOM 884 OD1 ASP A 56 74.425 27.687 -10.289 1.00 0.00 O ATOM 885 OD2 ASP A 56 72.642 26.472 -10.705 1.00 0.00 O ATOM 0 H ASP A 56 75.424 23.842 -7.983 1.00 0.00 H new ATOM 0 HA ASP A 56 76.191 26.020 -9.637 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.944 24.667 -9.417 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.570 25.811 -8.142 1.00 0.00 H new ATOM 890 N VAL A 57 75.620 26.646 -6.452 1.00 0.00 N ATOM 891 CA VAL A 57 75.794 27.642 -5.402 1.00 0.00 C ATOM 892 C VAL A 57 77.272 27.891 -5.122 1.00 0.00 C ATOM 893 O VAL A 57 77.658 28.975 -4.682 1.00 0.00 O ATOM 894 CB VAL A 57 75.101 27.209 -4.097 1.00 0.00 C ATOM 895 CG1 VAL A 57 73.887 26.344 -4.398 1.00 0.00 C ATOM 896 CG2 VAL A 57 76.079 26.473 -3.193 1.00 0.00 C ATOM 0 H VAL A 57 75.299 25.736 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 57 75.334 28.563 -5.759 1.00 0.00 H new ATOM 0 HB VAL A 57 74.760 28.102 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 57 73.411 26.048 -3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 57 73.178 26.909 -5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 57 74.201 25.454 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 57 75.572 26.174 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 57 76.452 25.587 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 57 76.914 27.130 -2.949 1.00 0.00 H new ATOM 906 N LYS A 58 78.096 26.881 -5.379 1.00 0.00 N ATOM 907 CA LYS A 58 79.533 26.989 -5.156 1.00 0.00 C ATOM 908 C LYS A 58 80.175 27.915 -6.185 1.00 0.00 C ATOM 909 O LYS A 58 80.971 28.787 -5.838 1.00 0.00 O ATOM 910 CB LYS A 58 80.186 25.607 -5.221 1.00 0.00 C ATOM 911 CG LYS A 58 81.702 25.646 -5.141 1.00 0.00 C ATOM 912 CD LYS A 58 82.333 25.663 -6.523 1.00 0.00 C ATOM 913 CE LYS A 58 83.698 24.991 -6.521 1.00 0.00 C ATOM 914 NZ LYS A 58 84.130 24.609 -7.894 1.00 0.00 N ATOM 0 H LYS A 58 77.793 25.977 -5.742 1.00 0.00 H new ATOM 0 HA LYS A 58 79.690 27.412 -4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.803 24.995 -4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 58 79.892 25.119 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 58 82.015 26.530 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 58 82.060 24.778 -4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 58 81.677 25.155 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.434 26.693 -6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 58 84.434 25.665 -6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 58 83.665 24.103 -5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 84.031 23.581 -8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 83.537 25.100 -8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 85.125 24.879 -8.033 1.00 0.00 H new ATOM 928 N PHE A 59 79.821 27.721 -7.451 1.00 0.00 N ATOM 929 CA PHE A 59 80.362 28.539 -8.530 1.00 0.00 C ATOM 930 C PHE A 59 79.756 29.939 -8.507 1.00 0.00 C ATOM 931 O PHE A 59 80.430 30.924 -8.810 1.00 0.00 O ATOM 932 CB PHE A 59 80.095 27.877 -9.884 1.00 0.00 C ATOM 933 CG PHE A 59 80.495 28.727 -11.056 1.00 0.00 C ATOM 934 CD1 PHE A 59 81.800 28.716 -11.523 1.00 0.00 C ATOM 935 CD2 PHE A 59 79.567 29.536 -11.690 1.00 0.00 C ATOM 936 CE1 PHE A 59 82.171 29.497 -12.601 1.00 0.00 C ATOM 937 CE2 PHE A 59 79.932 30.320 -12.769 1.00 0.00 C ATOM 938 CZ PHE A 59 81.236 30.299 -13.225 1.00 0.00 C ATOM 0 H PHE A 59 79.162 27.004 -7.755 1.00 0.00 H new ATOM 0 HA PHE A 59 81.438 28.626 -8.382 1.00 0.00 H new ATOM 0 HB2 PHE A 59 80.635 26.931 -9.930 1.00 0.00 H new ATOM 0 HB3 PHE A 59 79.034 27.642 -9.961 1.00 0.00 H new ATOM 0 HD1 PHE A 59 82.535 28.090 -11.039 1.00 0.00 H new ATOM 0 HD2 PHE A 59 78.546 29.555 -11.338 1.00 0.00 H new ATOM 0 HE1 PHE A 59 83.191 29.480 -12.955 1.00 0.00 H new ATOM 0 HE2 PHE A 59 79.199 30.948 -13.254 1.00 0.00 H new ATOM 0 HZ PHE A 59 81.524 30.909 -14.068 1.00 0.00 H new ATOM 948 N ARG A 60 78.480 30.019 -8.146 1.00 0.00 N ATOM 949 CA ARG A 60 77.782 31.297 -8.086 1.00 0.00 C ATOM 950 C ARG A 60 78.286 32.137 -6.917 1.00 0.00 C ATOM 951 O ARG A 60 78.298 33.366 -6.982 1.00 0.00 O ATOM 952 CB ARG A 60 76.274 31.073 -7.954 1.00 0.00 C ATOM 953 CG ARG A 60 75.467 32.361 -7.931 1.00 0.00 C ATOM 954 CD ARG A 60 75.302 32.939 -9.328 1.00 0.00 C ATOM 955 NE ARG A 60 76.357 33.895 -9.653 1.00 0.00 N ATOM 956 CZ ARG A 60 76.374 34.621 -10.764 1.00 0.00 C ATOM 957 NH1 ARG A 60 75.397 34.503 -11.653 1.00 0.00 N ATOM 958 NH2 ARG A 60 77.370 35.469 -10.989 1.00 0.00 N ATOM 0 H ARG A 60 77.908 29.214 -7.891 1.00 0.00 H new ATOM 0 HA ARG A 60 77.983 31.836 -9.012 1.00 0.00 H new ATOM 0 HB2 ARG A 60 75.933 30.455 -8.785 1.00 0.00 H new ATOM 0 HB3 ARG A 60 76.077 30.514 -7.039 1.00 0.00 H new ATOM 0 HG2 ARG A 60 74.486 32.169 -7.497 1.00 0.00 H new ATOM 0 HG3 ARG A 60 75.962 33.091 -7.290 1.00 0.00 H new ATOM 0 HD2 ARG A 60 75.309 32.130 -10.058 1.00 0.00 H new ATOM 0 HD3 ARG A 60 74.332 33.430 -9.405 1.00 0.00 H new ATOM 0 HE ARG A 60 77.123 34.011 -8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 60 74.629 33.853 -11.484 1.00 0.00 H new ATOM 0 HH12 ARG A 60 75.413 35.062 -12.506 1.00 0.00 H new ATOM 0 HH21 ARG A 60 78.123 35.563 -10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 60 77.382 36.026 -11.843 1.00 0.00 H new ATOM 972 N ALA A 61 78.702 31.466 -5.848 1.00 0.00 N ATOM 973 CA ALA A 61 79.209 32.150 -4.665 1.00 0.00 C ATOM 974 C ALA A 61 80.503 32.896 -4.974 1.00 0.00 C ATOM 975 O ALA A 61 80.537 34.126 -4.972 1.00 0.00 O ATOM 976 CB ALA A 61 79.427 31.157 -3.533 1.00 0.00 C ATOM 0 H ALA A 61 78.698 30.448 -5.777 1.00 0.00 H new ATOM 0 HA ALA A 61 78.464 32.882 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 61 79.806 31.682 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 61 78.482 30.673 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 61 80.150 30.403 -3.845 1.00 0.00 H new ATOM 982 N PHE A 62 81.565 32.143 -5.240 1.00 0.00 N ATOM 983 CA PHE A 62 82.862 32.733 -5.550 1.00 0.00 C ATOM 984 C PHE A 62 83.857 31.661 -5.986 1.00 0.00 C ATOM 985 O PHE A 62 84.457 30.982 -5.154 1.00 0.00 O ATOM 986 CB PHE A 62 83.407 33.486 -4.334 1.00 0.00 C ATOM 987 CG PHE A 62 83.254 34.977 -4.435 1.00 0.00 C ATOM 988 CD1 PHE A 62 83.761 35.666 -5.525 1.00 0.00 C ATOM 989 CD2 PHE A 62 82.603 35.689 -3.440 1.00 0.00 C ATOM 990 CE1 PHE A 62 83.622 37.038 -5.619 1.00 0.00 C ATOM 991 CE2 PHE A 62 82.461 37.061 -3.530 1.00 0.00 C ATOM 992 CZ PHE A 62 82.971 37.736 -4.621 1.00 0.00 C ATOM 0 H PHE A 62 81.553 31.123 -5.247 1.00 0.00 H new ATOM 0 HA PHE A 62 82.727 33.435 -6.373 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.893 33.136 -3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 62 84.463 33.245 -4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 62 84.270 35.125 -6.309 1.00 0.00 H new ATOM 0 HD2 PHE A 62 82.202 35.166 -2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 62 84.023 37.564 -6.473 1.00 0.00 H new ATOM 0 HE2 PHE A 62 81.952 37.604 -2.748 1.00 0.00 H new ATOM 0 HZ PHE A 62 82.861 38.808 -4.694 1.00 0.00 H new ATOM 1002 N GLU A 63 84.025 31.516 -7.297 1.00 0.00 N ATOM 1003 CA GLU A 63 84.946 30.526 -7.843 1.00 0.00 C ATOM 1004 C GLU A 63 86.382 30.832 -7.428 1.00 0.00 C ATOM 1005 O GLU A 63 87.261 29.977 -7.522 1.00 0.00 O ATOM 1006 CB GLU A 63 84.841 30.488 -9.369 1.00 0.00 C ATOM 1007 CG GLU A 63 85.857 29.568 -10.026 1.00 0.00 C ATOM 1008 CD GLU A 63 85.696 29.502 -11.532 1.00 0.00 C ATOM 1009 OE1 GLU A 63 85.456 30.561 -12.150 1.00 0.00 O ATOM 1010 OE2 GLU A 63 85.809 28.392 -12.093 1.00 0.00 O ATOM 0 H GLU A 63 83.536 32.071 -8.000 1.00 0.00 H new ATOM 0 HA GLU A 63 84.671 29.550 -7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 63 83.838 30.166 -9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.972 31.497 -9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 63 86.863 29.914 -9.787 1.00 0.00 H new ATOM 0 HG3 GLU A 63 85.757 28.566 -9.609 1.00 0.00 H new ATOM 1017 N ASN A 64 86.611 32.058 -6.970 1.00 0.00 N ATOM 1018 CA ASN A 64 87.941 32.478 -6.542 1.00 0.00 C ATOM 1019 C ASN A 64 88.378 31.712 -5.297 1.00 0.00 C ATOM 1020 O ASN A 64 89.567 31.467 -5.092 1.00 0.00 O ATOM 1021 CB ASN A 64 87.957 33.982 -6.261 1.00 0.00 C ATOM 1022 CG ASN A 64 87.483 34.314 -4.859 1.00 0.00 C ATOM 1023 OD1 ASN A 64 86.300 34.570 -4.637 1.00 0.00 O ATOM 1024 ND2 ASN A 64 88.407 34.310 -3.905 1.00 0.00 N ATOM 0 H ASN A 64 85.894 32.778 -6.886 1.00 0.00 H new ATOM 0 HA ASN A 64 88.642 32.258 -7.347 1.00 0.00 H new ATOM 0 HB2 ASN A 64 88.969 34.364 -6.399 1.00 0.00 H new ATOM 0 HB3 ASN A 64 87.322 34.491 -6.986 1.00 0.00 H new ATOM 0 HD21 ASN A 64 88.147 34.525 -2.942 1.00 0.00 H new ATOM 0 HD22 ASN A 64 89.377 34.092 -4.135 1.00 0.00 H new ATOM 1031 N VAL A 65 87.409 31.336 -4.469 1.00 0.00 N ATOM 1032 CA VAL A 65 87.693 30.596 -3.245 1.00 0.00 C ATOM 1033 C VAL A 65 87.243 29.145 -3.363 1.00 0.00 C ATOM 1034 O VAL A 65 86.111 28.865 -3.759 1.00 0.00 O ATOM 1035 CB VAL A 65 87.003 31.239 -2.027 1.00 0.00 C ATOM 1036 CG1 VAL A 65 85.497 31.290 -2.232 1.00 0.00 C ATOM 1037 CG2 VAL A 65 87.351 30.481 -0.756 1.00 0.00 C ATOM 0 H VAL A 65 86.420 31.532 -4.623 1.00 0.00 H new ATOM 0 HA VAL A 65 88.773 30.628 -3.100 1.00 0.00 H new ATOM 0 HB VAL A 65 87.366 32.261 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 65 85.027 31.747 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 65 85.270 31.881 -3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 65 85.113 30.278 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 65 86.855 30.949 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 65 87.018 29.447 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 65 88.430 30.503 -0.603 1.00 0.00 H new ATOM 1047 N HIS A 66 88.136 28.223 -3.015 1.00 0.00 N ATOM 1048 CA HIS A 66 87.830 26.799 -3.081 1.00 0.00 C ATOM 1049 C HIS A 66 88.105 26.121 -1.742 1.00 0.00 C ATOM 1050 O HIS A 66 88.377 24.922 -1.686 1.00 0.00 O ATOM 1051 CB HIS A 66 88.651 26.129 -4.183 1.00 0.00 C ATOM 1052 CG HIS A 66 88.093 26.338 -5.557 1.00 0.00 C ATOM 1053 ND1 HIS A 66 88.069 27.438 -6.346 1.00 0.00 N flip ATOM 1054 CD2 HIS A 66 87.465 25.341 -6.274 1.00 0.00 C flip ATOM 1055 CE1 HIS A 66 87.434 27.088 -7.513 1.00 0.00 C flip ATOM 1056 NE2 HIS A 66 87.081 25.818 -7.444 1.00 0.00 N flip ATOM 0 H HIS A 66 89.077 28.437 -2.685 1.00 0.00 H new ATOM 0 HA HIS A 66 86.770 26.691 -3.312 1.00 0.00 H new ATOM 0 HB2 HIS A 66 89.670 26.515 -4.151 1.00 0.00 H new ATOM 0 HB3 HIS A 66 88.709 25.059 -3.982 1.00 0.00 H new ATOM 0 HD1 HIS A 66 88.451 28.356 -6.117 1.00 0.00 H new ATOM 0 HD2 HIS A 66 87.311 24.328 -5.932 1.00 0.00 H new ATOM 0 HE1 HIS A 66 87.253 27.745 -8.351 1.00 0.00 H new ATOM 1064 N HIS A 67 88.034 26.898 -0.666 1.00 0.00 N ATOM 1065 CA HIS A 67 88.276 26.373 0.673 1.00 0.00 C ATOM 1066 C HIS A 67 87.092 25.537 1.151 1.00 0.00 C ATOM 1067 O HIS A 67 87.237 24.681 2.023 1.00 0.00 O ATOM 1068 CB HIS A 67 88.536 27.517 1.653 1.00 0.00 C ATOM 1069 CG HIS A 67 89.984 27.875 1.786 1.00 0.00 C ATOM 1070 ND1 HIS A 67 90.457 29.164 1.651 1.00 0.00 N ATOM 1071 CD2 HIS A 67 91.067 27.104 2.044 1.00 0.00 C ATOM 1072 CE1 HIS A 67 91.767 29.170 1.819 1.00 0.00 C ATOM 1073 NE2 HIS A 67 92.162 27.932 2.059 1.00 0.00 N ATOM 0 H HIS A 67 87.811 27.893 -0.695 1.00 0.00 H new ATOM 0 HA HIS A 67 89.157 25.733 0.632 1.00 0.00 H new ATOM 0 HB2 HIS A 67 87.981 28.397 1.327 1.00 0.00 H new ATOM 0 HB3 HIS A 67 88.147 27.240 2.633 1.00 0.00 H new ATOM 0 HD2 HIS A 67 91.069 26.036 2.208 1.00 0.00 H new ATOM 0 HE1 HIS A 67 92.407 30.039 1.769 1.00 0.00 H new ATOM 0 HE2 HIS A 67 93.124 27.639 2.228 1.00 0.00 H new ATOM 1081 N ARG A 68 85.923 25.793 0.575 1.00 0.00 N ATOM 1082 CA ARG A 68 84.714 25.065 0.943 1.00 0.00 C ATOM 1083 C ARG A 68 84.157 24.295 -0.251 1.00 0.00 C ATOM 1084 O ARG A 68 84.341 24.694 -1.401 1.00 0.00 O ATOM 1085 CB ARG A 68 83.655 26.031 1.479 1.00 0.00 C ATOM 1086 CG ARG A 68 84.114 26.825 2.691 1.00 0.00 C ATOM 1087 CD ARG A 68 83.728 26.133 3.989 1.00 0.00 C ATOM 1088 NE ARG A 68 83.488 27.088 5.068 1.00 0.00 N ATOM 1089 CZ ARG A 68 83.176 26.731 6.309 1.00 0.00 C ATOM 1090 NH1 ARG A 68 83.067 25.448 6.626 1.00 0.00 N ATOM 1091 NH2 ARG A 68 82.972 27.658 7.236 1.00 0.00 N ATOM 0 H ARG A 68 85.787 26.499 -0.148 1.00 0.00 H new ATOM 0 HA ARG A 68 84.974 24.351 1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 68 83.373 26.724 0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 68 82.760 25.467 1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 68 85.196 26.955 2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 68 83.673 27.821 2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 68 82.831 25.535 3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 68 84.521 25.446 4.283 1.00 0.00 H new ATOM 0 HE ARG A 68 83.564 28.083 4.857 1.00 0.00 H new ATOM 0 HH11 ARG A 68 83.223 24.732 5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 68 82.827 25.177 7.580 1.00 0.00 H new ATOM 0 HH21 ARG A 68 83.055 28.646 6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 68 82.732 27.383 8.188 1.00 0.00 H new ATOM 1105 N THR A 69 83.477 23.189 0.030 1.00 0.00 N ATOM 1106 CA THR A 69 82.895 22.362 -1.019 1.00 0.00 C ATOM 1107 C THR A 69 81.428 22.709 -1.243 1.00 0.00 C ATOM 1108 O THR A 69 80.726 23.110 -0.314 1.00 0.00 O ATOM 1109 CB THR A 69 83.011 20.863 -0.683 1.00 0.00 C ATOM 1110 OG1 THR A 69 84.291 20.589 -0.103 1.00 0.00 O ATOM 1111 CG2 THR A 69 82.820 20.012 -1.929 1.00 0.00 C ATOM 0 H THR A 69 83.315 22.845 0.976 1.00 0.00 H new ATOM 0 HA THR A 69 83.457 22.567 -1.930 1.00 0.00 H new ATOM 0 HB THR A 69 82.227 20.612 0.032 1.00 0.00 H new ATOM 0 HG1 THR A 69 84.356 19.635 0.109 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.906 18.958 -1.666 1.00 0.00 H new ATOM 0 HG22 THR A 69 81.833 20.201 -2.351 1.00 0.00 H new ATOM 0 HG23 THR A 69 83.584 20.266 -2.664 1.00 0.00 H new ATOM 1119 N TYR A 70 80.969 22.551 -2.479 1.00 0.00 N ATOM 1120 CA TYR A 70 79.584 22.849 -2.825 1.00 0.00 C ATOM 1121 C TYR A 70 78.623 22.191 -1.840 1.00 0.00 C ATOM 1122 O TYR A 70 77.654 22.806 -1.394 1.00 0.00 O ATOM 1123 CB TYR A 70 79.278 22.376 -4.247 1.00 0.00 C ATOM 1124 CG TYR A 70 79.831 21.004 -4.561 1.00 0.00 C ATOM 1125 CD1 TYR A 70 79.105 19.857 -4.267 1.00 0.00 C ATOM 1126 CD2 TYR A 70 81.081 20.856 -5.150 1.00 0.00 C ATOM 1127 CE1 TYR A 70 79.606 18.601 -4.552 1.00 0.00 C ATOM 1128 CE2 TYR A 70 81.590 19.604 -5.439 1.00 0.00 C ATOM 1129 CZ TYR A 70 80.849 18.480 -5.138 1.00 0.00 C ATOM 1130 OH TYR A 70 81.353 17.232 -5.423 1.00 0.00 O ATOM 0 H TYR A 70 81.536 22.218 -3.259 1.00 0.00 H new ATOM 0 HA TYR A 70 79.447 23.929 -2.772 1.00 0.00 H new ATOM 0 HB2 TYR A 70 78.198 22.365 -4.393 1.00 0.00 H new ATOM 0 HB3 TYR A 70 79.688 23.095 -4.956 1.00 0.00 H new ATOM 0 HD1 TYR A 70 78.132 19.948 -3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 70 81.664 21.734 -5.386 1.00 0.00 H new ATOM 0 HE1 TYR A 70 79.028 17.719 -4.317 1.00 0.00 H new ATOM 0 HE2 TYR A 70 82.563 19.506 -5.898 1.00 0.00 H new ATOM 0 HH TYR A 70 82.238 17.323 -5.834 1.00 0.00 H new ATOM 1140 N VAL A 71 78.899 20.935 -1.503 1.00 0.00 N ATOM 1141 CA VAL A 71 78.061 20.192 -0.569 1.00 0.00 C ATOM 1142 C VAL A 71 78.047 20.855 0.803 1.00 0.00 C ATOM 1143 O VAL A 71 77.010 20.914 1.465 1.00 0.00 O ATOM 1144 CB VAL A 71 78.542 18.736 -0.419 1.00 0.00 C ATOM 1145 CG1 VAL A 71 80.000 18.698 0.012 1.00 0.00 C ATOM 1146 CG2 VAL A 71 77.665 17.985 0.570 1.00 0.00 C ATOM 0 H VAL A 71 79.696 20.411 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 71 77.051 20.193 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 71 78.461 18.243 -1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 71 80.323 17.662 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 71 80.614 19.198 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 71 80.110 19.207 0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 71 78.019 16.958 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 71 77.711 18.475 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 71 76.635 17.982 0.214 1.00 0.00 H new ATOM 1156 N ASP A 72 79.203 21.353 1.226 1.00 0.00 N ATOM 1157 CA ASP A 72 79.324 22.014 2.520 1.00 0.00 C ATOM 1158 C ASP A 72 78.480 23.284 2.562 1.00 0.00 C ATOM 1159 O ASP A 72 77.914 23.632 3.600 1.00 0.00 O ATOM 1160 CB ASP A 72 80.788 22.350 2.811 1.00 0.00 C ATOM 1161 CG ASP A 72 80.982 22.947 4.191 1.00 0.00 C ATOM 1162 OD1 ASP A 72 80.781 24.170 4.341 1.00 0.00 O ATOM 1163 OD2 ASP A 72 81.335 22.191 5.120 1.00 0.00 O ATOM 0 H ASP A 72 80.071 21.312 0.691 1.00 0.00 H new ATOM 0 HA ASP A 72 78.958 21.330 3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 72 81.390 21.446 2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 72 81.153 23.051 2.060 1.00 0.00 H new ATOM 1168 N LEU A 73 78.401 23.974 1.430 1.00 0.00 N ATOM 1169 CA LEU A 73 77.627 25.207 1.337 1.00 0.00 C ATOM 1170 C LEU A 73 76.140 24.933 1.538 1.00 0.00 C ATOM 1171 O LEU A 73 75.503 25.517 2.415 1.00 0.00 O ATOM 1172 CB LEU A 73 77.856 25.875 -0.020 1.00 0.00 C ATOM 1173 CG LEU A 73 79.286 26.331 -0.311 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.329 27.183 -1.570 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.852 27.100 0.874 1.00 0.00 C ATOM 0 H LEU A 73 78.864 23.701 0.563 1.00 0.00 H new ATOM 0 HA LEU A 73 77.963 25.879 2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.552 25.178 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 73 77.198 26.741 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 73 79.903 25.447 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 73 80.355 27.498 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.965 26.600 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.698 28.062 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.870 27.417 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.234 27.977 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 73 79.858 26.458 1.755 1.00 0.00 H new ATOM 1187 N LYS A 74 75.593 24.039 0.721 1.00 0.00 N ATOM 1188 CA LYS A 74 74.182 23.684 0.810 1.00 0.00 C ATOM 1189 C LYS A 74 73.842 23.150 2.197 1.00 0.00 C ATOM 1190 O LYS A 74 72.797 23.479 2.760 1.00 0.00 O ATOM 1191 CB LYS A 74 73.831 22.638 -0.251 1.00 0.00 C ATOM 1192 CG LYS A 74 72.337 22.484 -0.483 1.00 0.00 C ATOM 1193 CD LYS A 74 71.830 21.143 0.020 1.00 0.00 C ATOM 1194 CE LYS A 74 71.322 21.241 1.451 1.00 0.00 C ATOM 1195 NZ LYS A 74 70.472 20.075 1.818 1.00 0.00 N ATOM 0 H LYS A 74 76.106 23.547 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 74 73.594 24.585 0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 74 74.310 22.912 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 74 74.245 21.675 0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 74 71.804 23.289 0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 74 72.121 22.580 -1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 74 71.028 20.789 -0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 74 72.632 20.406 -0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 74 72.169 21.302 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 74 70.749 22.160 1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 70.145 20.179 2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 69.650 20.031 1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 71.026 19.200 1.728 1.00 0.00 H new ATOM 1209 N ASP A 75 74.730 22.326 2.744 1.00 0.00 N ATOM 1210 CA ASP A 75 74.524 21.749 4.067 1.00 0.00 C ATOM 1211 C ASP A 75 74.616 22.821 5.148 1.00 0.00 C ATOM 1212 O ASP A 75 73.864 22.803 6.122 1.00 0.00 O ATOM 1213 CB ASP A 75 75.554 20.650 4.333 1.00 0.00 C ATOM 1214 CG ASP A 75 75.144 19.735 5.470 1.00 0.00 C ATOM 1215 OD1 ASP A 75 73.952 19.368 5.537 1.00 0.00 O ATOM 1216 OD2 ASP A 75 76.016 19.386 6.293 1.00 0.00 O ATOM 0 H ASP A 75 75.599 22.043 2.291 1.00 0.00 H new ATOM 0 HA ASP A 75 73.525 21.315 4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 75 75.693 20.059 3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 75 76.516 21.106 4.567 1.00 0.00 H new ATOM 1221 N LYS A 76 75.544 23.755 4.970 1.00 0.00 N ATOM 1222 CA LYS A 76 75.736 24.837 5.929 1.00 0.00 C ATOM 1223 C LYS A 76 74.499 25.727 6.000 1.00 0.00 C ATOM 1224 O LYS A 76 74.094 26.157 7.079 1.00 0.00 O ATOM 1225 CB LYS A 76 76.959 25.674 5.547 1.00 0.00 C ATOM 1226 CG LYS A 76 77.354 26.691 6.604 1.00 0.00 C ATOM 1227 CD LYS A 76 78.249 26.072 7.665 1.00 0.00 C ATOM 1228 CE LYS A 76 77.639 26.201 9.053 1.00 0.00 C ATOM 1229 NZ LYS A 76 77.052 24.916 9.522 1.00 0.00 N ATOM 0 H LYS A 76 76.176 23.785 4.170 1.00 0.00 H new ATOM 0 HA LYS A 76 75.900 24.394 6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 76 77.802 25.008 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 76 76.754 26.195 4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 76 77.872 27.526 6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.458 27.096 7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 76 78.413 25.019 7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 76 79.225 26.558 7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 76 78.404 26.529 9.757 1.00 0.00 H new ATOM 0 HE3 LYS A 76 76.867 26.970 9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 76.894 24.961 10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 76.146 24.752 9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 77.706 24.136 9.306 1.00 0.00 H new ATOM 1243 N TRP A 77 73.904 25.998 4.844 1.00 0.00 N ATOM 1244 CA TRP A 77 72.713 26.836 4.775 1.00 0.00 C ATOM 1245 C TRP A 77 71.529 26.156 5.455 1.00 0.00 C ATOM 1246 O TRP A 77 70.856 26.753 6.296 1.00 0.00 O ATOM 1247 CB TRP A 77 72.368 27.150 3.319 1.00 0.00 C ATOM 1248 CG TRP A 77 71.001 27.740 3.146 1.00 0.00 C ATOM 1249 CD1 TRP A 77 70.669 29.064 3.185 1.00 0.00 C ATOM 1250 CD2 TRP A 77 69.783 27.026 2.908 1.00 0.00 C ATOM 1251 NE1 TRP A 77 69.318 29.216 2.987 1.00 0.00 N ATOM 1252 CE2 TRP A 77 68.752 27.980 2.813 1.00 0.00 C ATOM 1253 CE3 TRP A 77 69.464 25.673 2.765 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 67.426 27.623 2.583 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 68.147 25.320 2.536 1.00 0.00 C ATOM 1256 CH2 TRP A 77 67.142 26.292 2.446 1.00 0.00 C ATOM 0 H TRP A 77 74.227 25.649 3.942 1.00 0.00 H new ATOM 0 HA TRP A 77 72.924 27.768 5.300 1.00 0.00 H new ATOM 0 HB2 TRP A 77 73.108 27.843 2.919 1.00 0.00 H new ATOM 0 HB3 TRP A 77 72.438 26.235 2.731 1.00 0.00 H new ATOM 0 HD1 TRP A 77 71.366 29.873 3.348 1.00 0.00 H new ATOM 0 HE1 TRP A 77 68.817 30.105 2.972 1.00 0.00 H new ATOM 0 HE3 TRP A 77 70.232 24.917 2.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 66.649 28.370 2.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 67.889 24.277 2.425 1.00 0.00 H new ATOM 0 HH2 TRP A 77 66.123 25.984 2.265 1.00 0.00 H new ATOM 1267 N LYS A 78 71.281 24.904 5.087 1.00 0.00 N ATOM 1268 CA LYS A 78 70.179 24.141 5.663 1.00 0.00 C ATOM 1269 C LYS A 78 70.284 24.097 7.184 1.00 0.00 C ATOM 1270 O LYS A 78 69.284 24.232 7.890 1.00 0.00 O ATOM 1271 CB LYS A 78 70.168 22.718 5.100 1.00 0.00 C ATOM 1272 CG LYS A 78 69.168 21.801 5.783 1.00 0.00 C ATOM 1273 CD LYS A 78 67.755 22.352 5.692 1.00 0.00 C ATOM 1274 CE LYS A 78 66.733 21.356 6.217 1.00 0.00 C ATOM 1275 NZ LYS A 78 66.717 21.310 7.706 1.00 0.00 N ATOM 0 H LYS A 78 71.828 24.395 4.392 1.00 0.00 H new ATOM 0 HA LYS A 78 69.247 24.638 5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.941 22.760 4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.166 22.290 5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 78 69.205 20.814 5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 78 69.444 21.675 6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 78 67.687 23.279 6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 78 67.525 22.598 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 78 65.742 21.626 5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 78 66.958 20.364 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 66.007 20.619 8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 67.655 21.028 8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 66.477 22.250 8.080 1.00 0.00 H new ATOM 1289 N THR A 79 71.502 23.908 7.684 1.00 0.00 N ATOM 1290 CA THR A 79 71.737 23.847 9.120 1.00 0.00 C ATOM 1291 C THR A 79 71.513 25.206 9.773 1.00 0.00 C ATOM 1292 O THR A 79 70.775 25.322 10.753 1.00 0.00 O ATOM 1293 CB THR A 79 73.167 23.369 9.436 1.00 0.00 C ATOM 1294 OG1 THR A 79 73.494 22.235 8.625 1.00 0.00 O ATOM 1295 CG2 THR A 79 73.304 23.005 10.906 1.00 0.00 C ATOM 0 H THR A 79 72.340 23.795 7.114 1.00 0.00 H new ATOM 0 HA THR A 79 71.023 23.130 9.526 1.00 0.00 H new ATOM 0 HB THR A 79 73.856 24.184 9.215 1.00 0.00 H new ATOM 0 HG1 THR A 79 73.833 22.540 7.758 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.322 22.670 11.105 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.083 23.879 11.519 1.00 0.00 H new ATOM 0 HG23 THR A 79 72.605 22.205 11.149 1.00 0.00 H new ATOM 1303 N LEU A 80 72.151 26.234 9.224 1.00 0.00 N ATOM 1304 CA LEU A 80 72.020 27.587 9.752 1.00 0.00 C ATOM 1305 C LEU A 80 70.565 28.044 9.725 1.00 0.00 C ATOM 1306 O LEU A 80 70.130 28.816 10.579 1.00 0.00 O ATOM 1307 CB LEU A 80 72.886 28.557 8.946 1.00 0.00 C ATOM 1308 CG LEU A 80 72.149 29.422 7.922 1.00 0.00 C ATOM 1309 CD1 LEU A 80 71.545 30.645 8.594 1.00 0.00 C ATOM 1310 CD2 LEU A 80 73.089 29.837 6.800 1.00 0.00 C ATOM 0 H LEU A 80 72.765 26.156 8.413 1.00 0.00 H new ATOM 0 HA LEU A 80 72.360 27.580 10.787 1.00 0.00 H new ATOM 0 HB2 LEU A 80 73.404 29.216 9.643 1.00 0.00 H new ATOM 0 HB3 LEU A 80 73.650 27.982 8.423 1.00 0.00 H new ATOM 0 HG LEU A 80 71.340 28.833 7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 80 71.025 31.249 7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.840 30.327 9.362 1.00 0.00 H new ATOM 0 HD13 LEU A 80 72.337 31.237 9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 80 72.548 30.452 6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 80 73.919 30.409 7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.474 28.948 6.300 1.00 0.00 H new ATOM 1322 N VAL A 81 69.816 27.559 8.740 1.00 0.00 N ATOM 1323 CA VAL A 81 68.409 27.914 8.603 1.00 0.00 C ATOM 1324 C VAL A 81 67.576 27.300 9.722 1.00 0.00 C ATOM 1325 O VAL A 81 66.752 27.975 10.340 1.00 0.00 O ATOM 1326 CB VAL A 81 67.843 27.456 7.246 1.00 0.00 C ATOM 1327 CG1 VAL A 81 66.324 27.527 7.249 1.00 0.00 C ATOM 1328 CG2 VAL A 81 68.422 28.295 6.117 1.00 0.00 C ATOM 0 H VAL A 81 70.161 26.919 8.025 1.00 0.00 H new ATOM 0 HA VAL A 81 68.350 29.001 8.664 1.00 0.00 H new ATOM 0 HB VAL A 81 68.134 26.418 7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 81 65.943 27.200 6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 81 65.931 26.879 8.032 1.00 0.00 H new ATOM 0 HG13 VAL A 81 66.008 28.554 7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 81 68.011 27.958 5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 81 68.164 29.342 6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.507 28.187 6.103 1.00 0.00 H new ATOM 1338 N HIS A 82 67.795 26.014 9.979 1.00 0.00 N ATOM 1339 CA HIS A 82 67.065 25.308 11.025 1.00 0.00 C ATOM 1340 C HIS A 82 67.339 25.928 12.392 1.00 0.00 C ATOM 1341 O HIS A 82 66.439 26.044 13.225 1.00 0.00 O ATOM 1342 CB HIS A 82 67.453 23.829 11.037 1.00 0.00 C ATOM 1343 CG HIS A 82 66.374 22.931 11.561 1.00 0.00 C ATOM 1344 ND1 HIS A 82 65.077 22.962 11.095 1.00 0.00 N ATOM 1345 CD2 HIS A 82 66.407 21.972 12.516 1.00 0.00 C ATOM 1346 CE1 HIS A 82 64.357 22.063 11.742 1.00 0.00 C ATOM 1347 NE2 HIS A 82 65.141 21.448 12.609 1.00 0.00 N ATOM 0 H HIS A 82 68.472 25.440 9.477 1.00 0.00 H new ATOM 0 HA HIS A 82 65.999 25.395 10.813 1.00 0.00 H new ATOM 0 HB2 HIS A 82 67.710 23.521 10.024 1.00 0.00 H new ATOM 0 HB3 HIS A 82 68.348 23.702 11.646 1.00 0.00 H new ATOM 0 HD2 HIS A 82 67.268 21.675 13.096 1.00 0.00 H new ATOM 0 HE1 HIS A 82 63.307 21.865 11.588 1.00 0.00 H new ATOM 0 HE2 HIS A 82 64.853 20.704 13.245 1.00 0.00 H new ATOM 1355 N THR A 83 68.587 26.326 12.617 1.00 0.00 N ATOM 1356 CA THR A 83 68.980 26.932 13.883 1.00 0.00 C ATOM 1357 C THR A 83 68.440 28.353 14.003 1.00 0.00 C ATOM 1358 O THR A 83 68.163 28.831 15.102 1.00 0.00 O ATOM 1359 CB THR A 83 70.512 26.962 14.040 1.00 0.00 C ATOM 1360 OG1 THR A 83 71.058 25.666 13.771 1.00 0.00 O ATOM 1361 CG2 THR A 83 70.903 27.401 15.443 1.00 0.00 C ATOM 0 H THR A 83 69.344 26.239 11.938 1.00 0.00 H new ATOM 0 HA THR A 83 68.553 26.316 14.674 1.00 0.00 H new ATOM 0 HB THR A 83 70.914 27.680 13.326 1.00 0.00 H new ATOM 0 HG1 THR A 83 71.015 25.486 12.809 1.00 0.00 H new ATOM 0 HG21 THR A 83 71.989 27.415 15.530 1.00 0.00 H new ATOM 0 HG22 THR A 83 70.511 28.400 15.634 1.00 0.00 H new ATOM 0 HG23 THR A 83 70.489 26.703 16.171 1.00 0.00 H new ATOM 1369 N ALA A 84 68.291 29.022 12.864 1.00 0.00 N ATOM 1370 CA ALA A 84 67.781 30.388 12.842 1.00 0.00 C ATOM 1371 C ALA A 84 66.257 30.404 12.844 1.00 0.00 C ATOM 1372 O ALA A 84 65.638 31.461 12.971 1.00 0.00 O ATOM 1373 CB ALA A 84 68.318 31.132 11.628 1.00 0.00 C ATOM 0 H ALA A 84 68.516 28.641 11.945 1.00 0.00 H new ATOM 0 HA ALA A 84 68.124 30.893 13.745 1.00 0.00 H new ATOM 0 HB1 ALA A 84 67.929 32.150 11.624 1.00 0.00 H new ATOM 0 HB2 ALA A 84 69.407 31.159 11.670 1.00 0.00 H new ATOM 0 HB3 ALA A 84 68.003 30.620 10.719 1.00 0.00 H new ATOM 1379 N SER A 85 65.656 29.227 12.702 1.00 0.00 N ATOM 1380 CA SER A 85 64.203 29.107 12.683 1.00 0.00 C ATOM 1381 C SER A 85 63.686 28.552 14.007 1.00 0.00 C ATOM 1382 O SER A 85 62.609 28.927 14.471 1.00 0.00 O ATOM 1383 CB SER A 85 63.760 28.204 11.530 1.00 0.00 C ATOM 1384 OG SER A 85 62.783 27.272 11.960 1.00 0.00 O ATOM 0 H SER A 85 66.153 28.342 12.598 1.00 0.00 H new ATOM 0 HA SER A 85 63.783 30.102 12.538 1.00 0.00 H new ATOM 0 HB2 SER A 85 63.356 28.813 10.721 1.00 0.00 H new ATOM 0 HB3 SER A 85 64.622 27.672 11.128 1.00 0.00 H new ATOM 0 HG SER A 85 62.515 26.708 11.205 1.00 0.00 H new ATOM 1390 N ILE A 86 64.462 27.657 14.609 1.00 0.00 N ATOM 1391 CA ILE A 86 64.084 27.051 15.879 1.00 0.00 C ATOM 1392 C ILE A 86 63.804 28.116 16.935 1.00 0.00 C ATOM 1393 O ILE A 86 63.936 29.312 16.675 1.00 0.00 O ATOM 1394 CB ILE A 86 65.181 26.105 16.400 1.00 0.00 C ATOM 1395 CG1 ILE A 86 66.537 26.813 16.403 1.00 0.00 C ATOM 1396 CG2 ILE A 86 65.238 24.843 15.552 1.00 0.00 C ATOM 1397 CD1 ILE A 86 67.632 26.020 17.083 1.00 0.00 C ATOM 0 H ILE A 86 65.356 27.336 14.238 1.00 0.00 H new ATOM 0 HA ILE A 86 63.176 26.476 15.696 1.00 0.00 H new ATOM 0 HB ILE A 86 64.939 25.821 17.424 1.00 0.00 H new ATOM 0 HG12 ILE A 86 66.833 27.017 15.374 1.00 0.00 H new ATOM 0 HG13 ILE A 86 66.434 27.776 16.902 1.00 0.00 H new ATOM 0 HG21 ILE A 86 66.018 24.184 15.933 1.00 0.00 H new ATOM 0 HG22 ILE A 86 64.277 24.331 15.597 1.00 0.00 H new ATOM 0 HG23 ILE A 86 65.460 25.109 14.518 1.00 0.00 H new ATOM 0 HD11 ILE A 86 68.565 26.583 17.047 1.00 0.00 H new ATOM 0 HD12 ILE A 86 67.358 25.838 18.122 1.00 0.00 H new ATOM 0 HD13 ILE A 86 67.763 25.067 16.570 1.00 0.00 H new ATOM 1409 N ALA A 87 63.418 27.673 18.127 1.00 0.00 N ATOM 1410 CA ALA A 87 63.123 28.587 19.223 1.00 0.00 C ATOM 1411 C ALA A 87 64.264 29.578 19.434 1.00 0.00 C ATOM 1412 O ALA A 87 65.397 29.356 19.008 1.00 0.00 O ATOM 1413 CB ALA A 87 62.855 27.809 20.502 1.00 0.00 C ATOM 0 H ALA A 87 63.302 26.686 18.358 1.00 0.00 H new ATOM 0 HA ALA A 87 62.229 29.152 18.961 1.00 0.00 H new ATOM 0 HB1 ALA A 87 62.636 28.505 21.312 1.00 0.00 H new ATOM 0 HB2 ALA A 87 62.003 27.146 20.353 1.00 0.00 H new ATOM 0 HB3 ALA A 87 63.734 27.218 20.759 1.00 0.00 H new ATOM 1419 N PRO A 88 63.959 30.698 20.105 1.00 0.00 N ATOM 1420 CA PRO A 88 64.946 31.745 20.387 1.00 0.00 C ATOM 1421 C PRO A 88 65.988 31.299 21.408 1.00 0.00 C ATOM 1422 O PRO A 88 67.115 31.792 21.411 1.00 0.00 O ATOM 1423 CB PRO A 88 64.098 32.888 20.953 1.00 0.00 C ATOM 1424 CG PRO A 88 62.893 32.221 21.519 1.00 0.00 C ATOM 1425 CD PRO A 88 62.628 31.028 20.642 1.00 0.00 C ATOM 0 HA PRO A 88 65.516 32.018 19.499 1.00 0.00 H new ATOM 0 HB2 PRO A 88 64.641 33.442 21.719 1.00 0.00 H new ATOM 0 HB3 PRO A 88 63.827 33.602 20.176 1.00 0.00 H new ATOM 0 HG2 PRO A 88 63.065 31.916 22.551 1.00 0.00 H new ATOM 0 HG3 PRO A 88 62.039 32.898 21.525 1.00 0.00 H new ATOM 0 HD2 PRO A 88 62.206 30.198 21.209 1.00 0.00 H new ATOM 0 HD3 PRO A 88 61.921 31.263 19.847 1.00 0.00 H new ATOM 1433 N GLN A 89 65.603 30.365 22.271 1.00 0.00 N ATOM 1434 CA GLN A 89 66.505 29.854 23.296 1.00 0.00 C ATOM 1435 C GLN A 89 67.438 28.793 22.721 1.00 0.00 C ATOM 1436 O GLN A 89 68.512 28.538 23.264 1.00 0.00 O ATOM 1437 CB GLN A 89 65.707 29.270 24.463 1.00 0.00 C ATOM 1438 CG GLN A 89 64.974 27.985 24.116 1.00 0.00 C ATOM 1439 CD GLN A 89 63.937 27.606 25.154 1.00 0.00 C ATOM 1440 OE1 GLN A 89 64.097 27.891 26.341 1.00 0.00 O ATOM 1441 NE2 GLN A 89 62.864 26.959 24.712 1.00 0.00 N ATOM 0 H GLN A 89 64.673 29.947 22.281 1.00 0.00 H new ATOM 0 HA GLN A 89 67.110 30.685 23.659 1.00 0.00 H new ATOM 0 HB2 GLN A 89 66.384 29.079 25.296 1.00 0.00 H new ATOM 0 HB3 GLN A 89 64.983 30.010 24.804 1.00 0.00 H new ATOM 0 HG2 GLN A 89 64.488 28.099 23.147 1.00 0.00 H new ATOM 0 HG3 GLN A 89 65.696 27.175 24.017 1.00 0.00 H new ATOM 0 HE21 GLN A 89 62.772 26.743 23.719 1.00 0.00 H new ATOM 0 HE22 GLN A 89 62.133 26.678 25.365 1.00 0.00 H new ATOM 1450 N GLN A 90 67.018 28.179 21.619 1.00 0.00 N ATOM 1451 CA GLN A 90 67.817 27.144 20.972 1.00 0.00 C ATOM 1452 C GLN A 90 68.694 27.740 19.876 1.00 0.00 C ATOM 1453 O GLN A 90 69.822 27.297 19.661 1.00 0.00 O ATOM 1454 CB GLN A 90 66.908 26.064 20.383 1.00 0.00 C ATOM 1455 CG GLN A 90 66.035 25.373 21.417 1.00 0.00 C ATOM 1456 CD GLN A 90 66.823 24.444 22.320 1.00 0.00 C ATOM 1457 OE1 GLN A 90 68.014 24.215 22.106 1.00 0.00 O ATOM 1458 NE2 GLN A 90 66.161 23.903 23.336 1.00 0.00 N ATOM 0 H GLN A 90 66.131 28.380 21.156 1.00 0.00 H new ATOM 0 HA GLN A 90 68.464 26.694 21.725 1.00 0.00 H new ATOM 0 HB2 GLN A 90 66.269 26.514 19.623 1.00 0.00 H new ATOM 0 HB3 GLN A 90 67.523 25.317 19.882 1.00 0.00 H new ATOM 0 HG2 GLN A 90 65.534 26.126 22.025 1.00 0.00 H new ATOM 0 HG3 GLN A 90 65.256 24.805 20.908 1.00 0.00 H new ATOM 0 HE21 GLN A 90 65.174 24.121 23.476 1.00 0.00 H new ATOM 0 HE22 GLN A 90 66.639 23.270 23.977 1.00 0.00 H new ATOM 1467 N ARG A 91 68.169 28.747 19.186 1.00 0.00 N ATOM 1468 CA ARG A 91 68.904 29.403 18.111 1.00 0.00 C ATOM 1469 C ARG A 91 70.207 30.003 18.631 1.00 0.00 C ATOM 1470 O ARG A 91 71.162 30.187 17.876 1.00 0.00 O ATOM 1471 CB ARG A 91 68.046 30.496 17.471 1.00 0.00 C ATOM 1472 CG ARG A 91 67.936 31.756 18.315 1.00 0.00 C ATOM 1473 CD ARG A 91 68.974 32.790 17.911 1.00 0.00 C ATOM 1474 NE ARG A 91 68.529 34.152 18.194 1.00 0.00 N ATOM 1475 CZ ARG A 91 69.222 35.236 17.862 1.00 0.00 C ATOM 1476 NH1 ARG A 91 70.386 35.117 17.238 1.00 0.00 N ATOM 1477 NH2 ARG A 91 68.751 36.441 18.154 1.00 0.00 N ATOM 0 H ARG A 91 67.237 29.127 19.352 1.00 0.00 H new ATOM 0 HA ARG A 91 69.145 28.652 17.358 1.00 0.00 H new ATOM 0 HB2 ARG A 91 68.468 30.755 16.500 1.00 0.00 H new ATOM 0 HB3 ARG A 91 67.046 30.102 17.290 1.00 0.00 H new ATOM 0 HG2 ARG A 91 66.938 32.180 18.208 1.00 0.00 H new ATOM 0 HG3 ARG A 91 68.064 31.502 19.367 1.00 0.00 H new ATOM 0 HD2 ARG A 91 69.906 32.595 18.442 1.00 0.00 H new ATOM 0 HD3 ARG A 91 69.188 32.692 16.847 1.00 0.00 H new ATOM 0 HE ARG A 91 67.637 34.278 18.673 1.00 0.00 H new ATOM 0 HH11 ARG A 91 70.751 34.192 17.012 1.00 0.00 H new ATOM 0 HH12 ARG A 91 70.916 35.951 16.984 1.00 0.00 H new ATOM 0 HH21 ARG A 91 67.856 36.536 18.634 1.00 0.00 H new ATOM 0 HH22 ARG A 91 69.284 37.272 17.899 1.00 0.00 H new ATOM 1491 N ARG A 92 70.238 30.306 19.925 1.00 0.00 N ATOM 1492 CA ARG A 92 71.423 30.886 20.545 1.00 0.00 C ATOM 1493 C ARG A 92 72.664 30.055 20.231 1.00 0.00 C ATOM 1494 O ARG A 92 72.861 28.979 20.794 1.00 0.00 O ATOM 1495 CB ARG A 92 71.234 30.988 22.060 1.00 0.00 C ATOM 1496 CG ARG A 92 69.967 31.720 22.467 1.00 0.00 C ATOM 1497 CD ARG A 92 70.126 32.399 23.819 1.00 0.00 C ATOM 1498 NE ARG A 92 71.029 33.545 23.753 1.00 0.00 N ATOM 1499 CZ ARG A 92 71.054 34.513 24.662 1.00 0.00 C ATOM 1500 NH1 ARG A 92 70.231 34.474 25.701 1.00 0.00 N ATOM 1501 NH2 ARG A 92 71.904 35.524 24.533 1.00 0.00 N ATOM 0 H ARG A 92 69.456 30.159 20.564 1.00 0.00 H new ATOM 0 HA ARG A 92 71.564 31.886 20.135 1.00 0.00 H new ATOM 0 HB2 ARG A 92 71.216 29.984 22.484 1.00 0.00 H new ATOM 0 HB3 ARG A 92 72.094 31.500 22.491 1.00 0.00 H new ATOM 0 HG2 ARG A 92 69.717 32.465 21.712 1.00 0.00 H new ATOM 0 HG3 ARG A 92 69.136 31.016 22.508 1.00 0.00 H new ATOM 0 HD2 ARG A 92 69.150 32.727 24.177 1.00 0.00 H new ATOM 0 HD3 ARG A 92 70.506 31.679 24.544 1.00 0.00 H new ATOM 0 HE ARG A 92 71.675 33.605 22.966 1.00 0.00 H new ATOM 0 HH11 ARG A 92 69.576 33.699 25.804 1.00 0.00 H new ATOM 0 HH12 ARG A 92 70.253 35.219 26.397 1.00 0.00 H new ATOM 0 HH21 ARG A 92 72.539 35.558 23.735 1.00 0.00 H new ATOM 0 HH22 ARG A 92 71.923 36.267 25.232 1.00 0.00 H new ATOM 1515 N GLY A 93 73.497 30.562 19.328 1.00 0.00 N ATOM 1516 CA GLY A 93 74.707 29.853 18.954 1.00 0.00 C ATOM 1517 C GLY A 93 75.925 30.755 18.938 1.00 0.00 C ATOM 1518 O GLY A 93 76.682 30.804 19.907 1.00 0.00 O ATOM 0 H GLY A 93 73.356 31.451 18.849 1.00 0.00 H new ATOM 0 HA2 GLY A 93 74.875 29.033 19.652 1.00 0.00 H new ATOM 0 HA3 GLY A 93 74.574 29.409 17.967 1.00 0.00 H new ATOM 1522 N ALA A 94 76.116 31.469 17.833 1.00 0.00 N ATOM 1523 CA ALA A 94 77.251 32.373 17.695 1.00 0.00 C ATOM 1524 C ALA A 94 76.786 33.809 17.479 1.00 0.00 C ATOM 1525 O ALA A 94 75.647 34.066 17.087 1.00 0.00 O ATOM 1526 CB ALA A 94 78.144 31.928 16.547 1.00 0.00 C ATOM 0 H ALA A 94 75.499 31.439 17.021 1.00 0.00 H new ATOM 0 HA ALA A 94 77.825 32.340 18.621 1.00 0.00 H new ATOM 0 HB1 ALA A 94 78.987 32.612 16.456 1.00 0.00 H new ATOM 0 HB2 ALA A 94 78.513 30.921 16.742 1.00 0.00 H new ATOM 0 HB3 ALA A 94 77.572 31.931 15.619 1.00 0.00 H new ATOM 1532 N PRO A 95 77.685 34.769 17.741 1.00 0.00 N ATOM 1533 CA PRO A 95 77.389 36.196 17.582 1.00 0.00 C ATOM 1534 C PRO A 95 77.240 36.598 16.119 1.00 0.00 C ATOM 1535 O PRO A 95 78.189 37.075 15.496 1.00 0.00 O ATOM 1536 CB PRO A 95 78.607 36.883 18.204 1.00 0.00 C ATOM 1537 CG PRO A 95 79.708 35.887 18.079 1.00 0.00 C ATOM 1538 CD PRO A 95 79.061 34.536 18.211 1.00 0.00 C ATOM 0 HA PRO A 95 76.443 36.470 18.049 1.00 0.00 H new ATOM 0 HB2 PRO A 95 78.849 37.809 17.682 1.00 0.00 H new ATOM 0 HB3 PRO A 95 78.425 37.144 19.247 1.00 0.00 H new ATOM 0 HG2 PRO A 95 80.215 35.985 17.119 1.00 0.00 H new ATOM 0 HG3 PRO A 95 80.460 36.037 18.854 1.00 0.00 H new ATOM 0 HD2 PRO A 95 79.570 33.786 17.606 1.00 0.00 H new ATOM 0 HD3 PRO A 95 79.079 34.181 19.241 1.00 0.00 H new ATOM 1546 N VAL A 96 76.042 36.403 15.575 1.00 0.00 N ATOM 1547 CA VAL A 96 75.769 36.747 14.185 1.00 0.00 C ATOM 1548 C VAL A 96 74.636 37.763 14.082 1.00 0.00 C ATOM 1549 O VAL A 96 73.790 37.877 14.969 1.00 0.00 O ATOM 1550 CB VAL A 96 75.401 35.499 13.360 1.00 0.00 C ATOM 1551 CG1 VAL A 96 76.647 34.691 13.030 1.00 0.00 C ATOM 1552 CG2 VAL A 96 74.386 34.648 14.107 1.00 0.00 C ATOM 0 H VAL A 96 75.246 36.009 16.076 1.00 0.00 H new ATOM 0 HA VAL A 96 76.683 37.184 13.782 1.00 0.00 H new ATOM 0 HB VAL A 96 74.949 35.824 12.423 1.00 0.00 H new ATOM 0 HG11 VAL A 96 76.368 33.813 12.447 1.00 0.00 H new ATOM 0 HG12 VAL A 96 77.337 35.306 12.452 1.00 0.00 H new ATOM 0 HG13 VAL A 96 77.130 34.374 13.954 1.00 0.00 H new ATOM 0 HG21 VAL A 96 74.137 33.771 13.510 1.00 0.00 H new ATOM 0 HG22 VAL A 96 74.809 34.330 15.060 1.00 0.00 H new ATOM 0 HG23 VAL A 96 73.484 35.232 14.287 1.00 0.00 H new ATOM 1562 N PRO A 97 74.618 38.518 12.974 1.00 0.00 N ATOM 1563 CA PRO A 97 73.593 39.537 12.728 1.00 0.00 C ATOM 1564 C PRO A 97 72.223 38.927 12.454 1.00 0.00 C ATOM 1565 O PRO A 97 72.116 37.885 11.809 1.00 0.00 O ATOM 1566 CB PRO A 97 74.111 40.268 11.487 1.00 0.00 C ATOM 1567 CG PRO A 97 74.972 39.272 10.792 1.00 0.00 C ATOM 1568 CD PRO A 97 75.595 38.435 11.876 1.00 0.00 C ATOM 0 HA PRO A 97 73.447 40.185 13.592 1.00 0.00 H new ATOM 0 HB2 PRO A 97 73.290 40.595 10.849 1.00 0.00 H new ATOM 0 HB3 PRO A 97 74.677 41.159 11.760 1.00 0.00 H new ATOM 0 HG2 PRO A 97 74.384 38.655 10.112 1.00 0.00 H new ATOM 0 HG3 PRO A 97 75.736 39.767 10.193 1.00 0.00 H new ATOM 0 HD2 PRO A 97 75.748 37.406 11.551 1.00 0.00 H new ATOM 0 HD3 PRO A 97 76.569 38.823 12.174 1.00 0.00 H new ATOM 1576 N GLN A 98 71.178 39.584 12.948 1.00 0.00 N ATOM 1577 CA GLN A 98 69.814 39.105 12.755 1.00 0.00 C ATOM 1578 C GLN A 98 69.447 39.087 11.275 1.00 0.00 C ATOM 1579 O GLN A 98 68.668 38.245 10.829 1.00 0.00 O ATOM 1580 CB GLN A 98 68.829 39.984 13.527 1.00 0.00 C ATOM 1581 CG GLN A 98 68.616 41.353 12.901 1.00 0.00 C ATOM 1582 CD GLN A 98 67.619 42.197 13.670 1.00 0.00 C ATOM 1583 OE1 GLN A 98 66.782 41.674 14.406 1.00 0.00 O ATOM 1584 NE2 GLN A 98 67.704 43.512 13.504 1.00 0.00 N ATOM 0 H GLN A 98 71.250 40.449 13.484 1.00 0.00 H new ATOM 0 HA GLN A 98 69.756 38.086 13.136 1.00 0.00 H new ATOM 0 HB2 GLN A 98 67.870 39.470 13.592 1.00 0.00 H new ATOM 0 HB3 GLN A 98 69.192 40.112 14.547 1.00 0.00 H new ATOM 0 HG2 GLN A 98 69.570 41.878 12.852 1.00 0.00 H new ATOM 0 HG3 GLN A 98 68.267 41.229 11.876 1.00 0.00 H new ATOM 0 HE21 GLN A 98 68.413 43.903 12.884 1.00 0.00 H new ATOM 0 HE22 GLN A 98 67.060 44.131 13.997 1.00 0.00 H new ATOM 1593 N GLU A 99 70.014 40.022 10.519 1.00 0.00 N ATOM 1594 CA GLU A 99 69.745 40.114 9.089 1.00 0.00 C ATOM 1595 C GLU A 99 70.051 38.792 8.391 1.00 0.00 C ATOM 1596 O GLU A 99 69.372 38.407 7.438 1.00 0.00 O ATOM 1597 CB GLU A 99 70.573 41.238 8.462 1.00 0.00 C ATOM 1598 CG GLU A 99 72.062 40.941 8.413 1.00 0.00 C ATOM 1599 CD GLU A 99 72.911 42.174 8.657 1.00 0.00 C ATOM 1600 OE1 GLU A 99 72.393 43.296 8.478 1.00 0.00 O ATOM 1601 OE2 GLU A 99 74.093 42.016 9.028 1.00 0.00 O ATOM 0 H GLU A 99 70.662 40.726 10.873 1.00 0.00 H new ATOM 0 HA GLU A 99 68.686 40.337 8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 99 70.214 41.421 7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 99 70.412 42.156 9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 99 72.303 40.185 9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 99 72.313 40.519 7.440 1.00 0.00 H new ATOM 1608 N LEU A 100 71.079 38.100 8.873 1.00 0.00 N ATOM 1609 CA LEU A 100 71.477 36.821 8.296 1.00 0.00 C ATOM 1610 C LEU A 100 70.362 35.790 8.437 1.00 0.00 C ATOM 1611 O LEU A 100 70.094 35.019 7.514 1.00 0.00 O ATOM 1612 CB LEU A 100 72.750 36.308 8.973 1.00 0.00 C ATOM 1613 CG LEU A 100 74.045 36.472 8.178 1.00 0.00 C ATOM 1614 CD1 LEU A 100 74.185 37.900 7.672 1.00 0.00 C ATOM 1615 CD2 LEU A 100 75.246 36.086 9.029 1.00 0.00 C ATOM 0 H LEU A 100 71.651 38.403 9.661 1.00 0.00 H new ATOM 0 HA LEU A 100 71.673 36.974 7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 100 72.864 36.825 9.926 1.00 0.00 H new ATOM 0 HB3 LEU A 100 72.617 35.250 9.198 1.00 0.00 H new ATOM 0 HG LEU A 100 74.006 35.806 7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 100 75.113 37.997 7.108 1.00 0.00 H new ATOM 0 HD12 LEU A 100 73.341 38.141 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 100 74.201 38.586 8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 100 76.159 36.209 8.447 1.00 0.00 H new ATOM 0 HD22 LEU A 100 75.288 36.726 9.910 1.00 0.00 H new ATOM 0 HD23 LEU A 100 75.152 35.046 9.341 1.00 0.00 H new ATOM 1627 N LEU A 101 69.714 35.782 9.596 1.00 0.00 N ATOM 1628 CA LEU A 101 68.625 34.846 9.857 1.00 0.00 C ATOM 1629 C LEU A 101 67.359 35.263 9.115 1.00 0.00 C ATOM 1630 O LEU A 101 66.512 34.429 8.796 1.00 0.00 O ATOM 1631 CB LEU A 101 68.346 34.765 11.359 1.00 0.00 C ATOM 1632 CG LEU A 101 69.522 34.338 12.238 1.00 0.00 C ATOM 1633 CD1 LEU A 101 70.532 33.541 11.428 1.00 0.00 C ATOM 1634 CD2 LEU A 101 70.183 35.554 12.871 1.00 0.00 C ATOM 0 H LEU A 101 69.923 36.412 10.370 1.00 0.00 H new ATOM 0 HA LEU A 101 68.928 33.863 9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 101 68.001 35.742 11.697 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.526 34.065 11.519 1.00 0.00 H new ATOM 0 HG LEU A 101 69.142 33.699 13.035 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.362 33.246 12.070 1.00 0.00 H new ATOM 0 HD12 LEU A 101 70.052 32.650 11.023 1.00 0.00 H new ATOM 0 HD13 LEU A 101 70.907 34.155 10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 101 71.018 35.232 13.493 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.549 36.218 12.088 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.456 36.085 13.486 1.00 0.00 H new ATOM 1646 N ASP A 102 67.239 36.557 8.842 1.00 0.00 N ATOM 1647 CA ASP A 102 66.078 37.085 8.134 1.00 0.00 C ATOM 1648 C ASP A 102 66.153 36.755 6.647 1.00 0.00 C ATOM 1649 O ASP A 102 65.137 36.468 6.013 1.00 0.00 O ATOM 1650 CB ASP A 102 65.979 38.598 8.330 1.00 0.00 C ATOM 1651 CG ASP A 102 64.613 39.142 7.959 1.00 0.00 C ATOM 1652 OD1 ASP A 102 63.837 38.407 7.312 1.00 0.00 O ATOM 1653 OD2 ASP A 102 64.320 40.302 8.316 1.00 0.00 O ATOM 0 H ASP A 102 67.931 37.260 9.100 1.00 0.00 H new ATOM 0 HA ASP A 102 65.186 36.615 8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 102 66.193 38.841 9.371 1.00 0.00 H new ATOM 0 HB3 ASP A 102 66.740 39.090 7.724 1.00 0.00 H new ATOM 1658 N ARG A 103 67.361 36.800 6.096 1.00 0.00 N ATOM 1659 CA ARG A 103 67.568 36.508 4.683 1.00 0.00 C ATOM 1660 C ARG A 103 67.452 35.011 4.414 1.00 0.00 C ATOM 1661 O ARG A 103 66.863 34.592 3.417 1.00 0.00 O ATOM 1662 CB ARG A 103 68.940 37.014 4.231 1.00 0.00 C ATOM 1663 CG ARG A 103 70.096 36.433 5.029 1.00 0.00 C ATOM 1664 CD ARG A 103 71.436 36.929 4.510 1.00 0.00 C ATOM 1665 NE ARG A 103 71.699 38.310 4.906 1.00 0.00 N ATOM 1666 CZ ARG A 103 71.356 39.363 4.172 1.00 0.00 C ATOM 1667 NH1 ARG A 103 70.739 39.193 3.011 1.00 0.00 N ATOM 1668 NH2 ARG A 103 71.630 40.588 4.600 1.00 0.00 N ATOM 0 H ARG A 103 68.212 37.036 6.607 1.00 0.00 H new ATOM 0 HA ARG A 103 66.793 37.023 4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 103 69.078 36.771 3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 103 68.962 38.101 4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 103 69.988 36.705 6.079 1.00 0.00 H new ATOM 0 HG3 ARG A 103 70.065 35.345 4.977 1.00 0.00 H new ATOM 0 HD2 ARG A 103 72.231 36.286 4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 103 71.454 36.854 3.423 1.00 0.00 H new ATOM 0 HE ARG A 103 72.172 38.475 5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 103 70.527 38.252 2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 103 70.477 40.003 2.449 1.00 0.00 H new ATOM 0 HH21 ARG A 103 72.104 40.722 5.493 1.00 0.00 H new ATOM 0 HH22 ARG A 103 71.366 41.396 4.036 1.00 0.00 H new ATOM 1682 N VAL A 104 68.018 34.208 5.309 1.00 0.00 N ATOM 1683 CA VAL A 104 67.977 32.758 5.169 1.00 0.00 C ATOM 1684 C VAL A 104 66.565 32.224 5.380 1.00 0.00 C ATOM 1685 O VAL A 104 66.125 31.308 4.684 1.00 0.00 O ATOM 1686 CB VAL A 104 68.928 32.071 6.168 1.00 0.00 C ATOM 1687 CG1 VAL A 104 70.350 32.578 5.987 1.00 0.00 C ATOM 1688 CG2 VAL A 104 68.451 32.293 7.596 1.00 0.00 C ATOM 0 H VAL A 104 68.511 34.538 6.139 1.00 0.00 H new ATOM 0 HA VAL A 104 68.300 32.529 4.153 1.00 0.00 H new ATOM 0 HB VAL A 104 68.923 30.999 5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 104 71.007 32.081 6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 104 70.687 32.362 4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 104 70.377 33.654 6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 104 69.134 31.801 8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 104 68.426 33.362 7.809 1.00 0.00 H new ATOM 0 HG23 VAL A 104 67.451 31.875 7.715 1.00 0.00 H new ATOM 1698 N LEU A 105 65.857 32.803 6.344 1.00 0.00 N ATOM 1699 CA LEU A 105 64.492 32.387 6.646 1.00 0.00 C ATOM 1700 C LEU A 105 63.530 32.838 5.552 1.00 0.00 C ATOM 1701 O LEU A 105 62.762 32.038 5.019 1.00 0.00 O ATOM 1702 CB LEU A 105 64.051 32.957 7.995 1.00 0.00 C ATOM 1703 CG LEU A 105 64.628 32.271 9.235 1.00 0.00 C ATOM 1704 CD1 LEU A 105 64.270 33.050 10.491 1.00 0.00 C ATOM 1705 CD2 LEU A 105 64.127 30.838 9.332 1.00 0.00 C ATOM 0 H LEU A 105 66.206 33.562 6.930 1.00 0.00 H new ATOM 0 HA LEU A 105 64.473 31.298 6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 105 64.324 34.012 8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 105 62.964 32.907 8.050 1.00 0.00 H new ATOM 0 HG LEU A 105 65.714 32.250 9.144 1.00 0.00 H new ATOM 0 HD11 LEU A 105 64.689 32.547 11.363 1.00 0.00 H new ATOM 0 HD12 LEU A 105 64.678 34.058 10.423 1.00 0.00 H new ATOM 0 HD13 LEU A 105 63.186 33.104 10.589 1.00 0.00 H new ATOM 0 HD21 LEU A 105 64.547 30.365 10.220 1.00 0.00 H new ATOM 0 HD22 LEU A 105 63.039 30.837 9.401 1.00 0.00 H new ATOM 0 HD23 LEU A 105 64.435 30.284 8.445 1.00 0.00 H new ATOM 1717 N ALA A 106 63.580 34.124 5.220 1.00 0.00 N ATOM 1718 CA ALA A 106 62.717 34.680 4.186 1.00 0.00 C ATOM 1719 C ALA A 106 62.882 33.929 2.869 1.00 0.00 C ATOM 1720 O ALA A 106 61.901 33.602 2.203 1.00 0.00 O ATOM 1721 CB ALA A 106 63.011 36.160 3.992 1.00 0.00 C ATOM 0 H ALA A 106 64.209 34.800 5.653 1.00 0.00 H new ATOM 0 HA ALA A 106 61.683 34.566 4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 106 62.359 36.562 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 106 62.834 36.692 4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 106 64.051 36.288 3.693 1.00 0.00 H new ATOM 1727 N ALA A 107 64.130 33.659 2.500 1.00 0.00 N ATOM 1728 CA ALA A 107 64.424 32.946 1.264 1.00 0.00 C ATOM 1729 C ALA A 107 63.926 31.506 1.329 1.00 0.00 C ATOM 1730 O ALA A 107 63.360 30.992 0.365 1.00 0.00 O ATOM 1731 CB ALA A 107 65.918 32.976 0.979 1.00 0.00 C ATOM 0 H ALA A 107 64.954 33.924 3.040 1.00 0.00 H new ATOM 0 HA ALA A 107 63.900 33.449 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 107 66.123 32.439 0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 107 66.249 34.010 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 107 66.455 32.500 1.800 1.00 0.00 H new ATOM 1737 N GLN A 108 64.140 30.862 2.472 1.00 0.00 N ATOM 1738 CA GLN A 108 63.714 29.480 2.661 1.00 0.00 C ATOM 1739 C GLN A 108 62.228 29.323 2.355 1.00 0.00 C ATOM 1740 O GLN A 108 61.833 28.453 1.579 1.00 0.00 O ATOM 1741 CB GLN A 108 64.002 29.027 4.093 1.00 0.00 C ATOM 1742 CG GLN A 108 63.721 27.552 4.333 1.00 0.00 C ATOM 1743 CD GLN A 108 62.245 27.264 4.527 1.00 0.00 C ATOM 1744 OE1 GLN A 108 61.482 28.131 4.952 1.00 0.00 O ATOM 1745 NE2 GLN A 108 61.835 26.040 4.216 1.00 0.00 N ATOM 0 H GLN A 108 64.605 31.275 3.280 1.00 0.00 H new ATOM 0 HA GLN A 108 64.278 28.854 1.969 1.00 0.00 H new ATOM 0 HB2 GLN A 108 65.047 29.232 4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 108 63.399 29.620 4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 108 64.092 26.973 3.488 1.00 0.00 H new ATOM 0 HG3 GLN A 108 64.271 27.220 5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 108 62.502 25.352 3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 108 60.853 25.788 4.326 1.00 0.00 H new ATOM 1754 N ALA A 109 61.409 30.170 2.970 1.00 0.00 N ATOM 1755 CA ALA A 109 59.967 30.126 2.761 1.00 0.00 C ATOM 1756 C ALA A 109 59.603 30.558 1.345 1.00 0.00 C ATOM 1757 O ALA A 109 58.658 30.039 0.751 1.00 0.00 O ATOM 1758 CB ALA A 109 59.259 31.005 3.781 1.00 0.00 C ATOM 0 H ALA A 109 61.720 30.895 3.617 1.00 0.00 H new ATOM 0 HA ALA A 109 59.637 29.096 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 109 58.183 30.963 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 109 59.484 30.649 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 109 59.602 32.034 3.675 1.00 0.00 H new ATOM 1764 N TYR A 110 60.359 31.510 0.809 1.00 0.00 N ATOM 1765 CA TYR A 110 60.114 32.014 -0.537 1.00 0.00 C ATOM 1766 C TYR A 110 60.149 30.880 -1.557 1.00 0.00 C ATOM 1767 O TYR A 110 59.314 30.817 -2.459 1.00 0.00 O ATOM 1768 CB TYR A 110 61.152 33.076 -0.903 1.00 0.00 C ATOM 1769 CG TYR A 110 60.717 33.984 -2.031 1.00 0.00 C ATOM 1770 CD1 TYR A 110 59.517 34.683 -1.963 1.00 0.00 C ATOM 1771 CD2 TYR A 110 61.503 34.143 -3.165 1.00 0.00 C ATOM 1772 CE1 TYR A 110 59.115 35.513 -2.991 1.00 0.00 C ATOM 1773 CE2 TYR A 110 61.110 34.972 -4.197 1.00 0.00 C ATOM 1774 CZ TYR A 110 59.915 35.655 -4.106 1.00 0.00 C ATOM 1775 OH TYR A 110 59.519 36.481 -5.133 1.00 0.00 O ATOM 0 H TYR A 110 61.147 31.948 1.286 1.00 0.00 H new ATOM 0 HA TYR A 110 59.122 32.464 -0.554 1.00 0.00 H new ATOM 0 HB2 TYR A 110 61.366 33.682 -0.022 1.00 0.00 H new ATOM 0 HB3 TYR A 110 62.082 32.582 -1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 110 58.889 34.575 -1.091 1.00 0.00 H new ATOM 0 HD2 TYR A 110 62.438 33.609 -3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 110 58.179 36.048 -2.922 1.00 0.00 H new ATOM 0 HE2 TYR A 110 61.735 35.085 -5.071 1.00 0.00 H new ATOM 0 HH TYR A 110 60.196 36.469 -5.842 1.00 0.00 H new ATOM 1785 N TRP A 111 61.121 29.988 -1.407 1.00 0.00 N ATOM 1786 CA TRP A 111 61.265 28.855 -2.315 1.00 0.00 C ATOM 1787 C TRP A 111 60.428 27.671 -1.846 1.00 0.00 C ATOM 1788 O TRP A 111 60.132 26.762 -2.621 1.00 0.00 O ATOM 1789 CB TRP A 111 62.735 28.446 -2.423 1.00 0.00 C ATOM 1790 CG TRP A 111 63.651 29.594 -2.721 1.00 0.00 C ATOM 1791 CD1 TRP A 111 64.800 29.919 -2.058 1.00 0.00 C ATOM 1792 CD2 TRP A 111 63.494 30.568 -3.759 1.00 0.00 C ATOM 1793 NE1 TRP A 111 65.366 31.038 -2.621 1.00 0.00 N ATOM 1794 CE2 TRP A 111 64.585 31.454 -3.666 1.00 0.00 C ATOM 1795 CE3 TRP A 111 62.540 30.777 -4.758 1.00 0.00 C ATOM 1796 CZ2 TRP A 111 64.744 32.531 -4.534 1.00 0.00 C ATOM 1797 CZ3 TRP A 111 62.699 31.846 -5.618 1.00 0.00 C ATOM 1798 CH2 TRP A 111 63.795 32.712 -5.503 1.00 0.00 C ATOM 0 H TRP A 111 61.821 30.027 -0.666 1.00 0.00 H new ATOM 0 HA TRP A 111 60.907 29.161 -3.298 1.00 0.00 H new ATOM 0 HB2 TRP A 111 63.044 27.977 -1.489 1.00 0.00 H new ATOM 0 HB3 TRP A 111 62.839 27.695 -3.206 1.00 0.00 H new ATOM 0 HD1 TRP A 111 65.204 29.377 -1.216 1.00 0.00 H new ATOM 0 HE1 TRP A 111 66.228 31.486 -2.311 1.00 0.00 H new ATOM 0 HE3 TRP A 111 61.693 30.114 -4.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 65.587 33.200 -4.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 61.966 32.018 -6.392 1.00 0.00 H new ATOM 0 HH2 TRP A 111 63.892 33.538 -6.192 1.00 0.00 H new ATOM 1809 N SER A 112 60.048 27.688 -0.572 1.00 0.00 N ATOM 1810 CA SER A 112 59.247 26.613 0.002 1.00 0.00 C ATOM 1811 C SER A 112 57.918 26.473 -0.735 1.00 0.00 C ATOM 1812 O SER A 112 57.670 27.159 -1.727 1.00 0.00 O ATOM 1813 CB SER A 112 58.994 26.874 1.488 1.00 0.00 C ATOM 1814 OG SER A 112 58.579 25.691 2.149 1.00 0.00 O ATOM 0 H SER A 112 60.282 28.435 0.082 1.00 0.00 H new ATOM 0 HA SER A 112 59.803 25.682 -0.106 1.00 0.00 H new ATOM 0 HB2 SER A 112 59.903 27.255 1.954 1.00 0.00 H new ATOM 0 HB3 SER A 112 58.231 27.644 1.601 1.00 0.00 H new ATOM 0 HG SER A 112 59.121 25.559 2.955 1.00 0.00 H new ATOM 1820 N VAL A 113 57.067 25.579 -0.243 1.00 0.00 N ATOM 1821 CA VAL A 113 55.763 25.349 -0.852 1.00 0.00 C ATOM 1822 C VAL A 113 54.712 25.024 0.204 1.00 0.00 C ATOM 1823 O VAL A 113 54.645 23.901 0.703 1.00 0.00 O ATOM 1824 CB VAL A 113 55.817 24.199 -1.876 1.00 0.00 C ATOM 1825 CG1 VAL A 113 54.569 24.200 -2.746 1.00 0.00 C ATOM 1826 CG2 VAL A 113 57.072 24.305 -2.729 1.00 0.00 C ATOM 0 H VAL A 113 57.257 25.002 0.576 1.00 0.00 H new ATOM 0 HA VAL A 113 55.487 26.270 -1.364 1.00 0.00 H new ATOM 0 HB VAL A 113 55.852 23.254 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 113 54.625 23.381 -3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 113 53.687 24.073 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 113 54.499 25.147 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 113 57.094 23.485 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 113 57.070 25.255 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 113 57.953 24.251 -2.089 1.00 0.00 H new ATOM 1836 N ASP A 114 53.893 26.015 0.539 1.00 0.00 N ATOM 1837 CA ASP A 114 52.843 25.836 1.536 1.00 0.00 C ATOM 1838 C ASP A 114 53.441 25.528 2.905 1.00 0.00 C ATOM 1839 O ASP A 114 53.178 24.475 3.486 1.00 0.00 O ATOM 1840 CB ASP A 114 51.897 24.710 1.114 1.00 0.00 C ATOM 1841 CG ASP A 114 50.558 24.785 1.819 1.00 0.00 C ATOM 1842 OD1 ASP A 114 49.795 25.734 1.543 1.00 0.00 O ATOM 1843 OD2 ASP A 114 50.272 23.895 2.648 1.00 0.00 O ATOM 0 H ASP A 114 53.936 26.951 0.135 1.00 0.00 H new ATOM 0 HA ASP A 114 52.280 26.767 1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 114 51.740 24.756 0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 114 52.363 23.748 1.327 1.00 0.00 H new ATOM 1848 N SER A 115 54.247 26.453 3.415 1.00 0.00 N ATOM 1849 CA SER A 115 54.886 26.279 4.714 1.00 0.00 C ATOM 1850 C SER A 115 54.609 27.474 5.621 1.00 0.00 C ATOM 1851 O SER A 115 53.960 28.438 5.215 1.00 0.00 O ATOM 1852 CB SER A 115 56.395 26.093 4.543 1.00 0.00 C ATOM 1853 OG SER A 115 56.705 24.767 4.150 1.00 0.00 O ATOM 0 H SER A 115 54.473 27.331 2.948 1.00 0.00 H new ATOM 0 HA SER A 115 54.467 25.387 5.180 1.00 0.00 H new ATOM 0 HB2 SER A 115 56.768 26.794 3.796 1.00 0.00 H new ATOM 0 HB3 SER A 115 56.902 26.326 5.480 1.00 0.00 H new ATOM 0 HG SER A 115 57.367 24.786 3.428 1.00 0.00 H new ATOM 1859 N SER A 116 55.106 27.403 6.852 1.00 0.00 N ATOM 1860 CA SER A 116 54.909 28.476 7.819 1.00 0.00 C ATOM 1861 C SER A 116 55.480 29.791 7.295 1.00 0.00 C ATOM 1862 O SER A 116 56.618 29.845 6.831 1.00 0.00 O ATOM 1863 CB SER A 116 55.567 28.117 9.152 1.00 0.00 C ATOM 1864 OG SER A 116 55.261 29.078 10.148 1.00 0.00 O ATOM 0 H SER A 116 55.648 26.613 7.203 1.00 0.00 H new ATOM 0 HA SER A 116 53.837 28.601 7.973 1.00 0.00 H new ATOM 0 HB2 SER A 116 55.227 27.133 9.475 1.00 0.00 H new ATOM 0 HB3 SER A 116 56.647 28.055 9.022 1.00 0.00 H new ATOM 0 HG SER A 116 55.692 28.824 10.991 1.00 0.00 H new ATOM 1870 N GLY A 117 54.680 30.850 7.374 1.00 0.00 N ATOM 1871 CA GLY A 117 55.122 32.150 6.905 1.00 0.00 C ATOM 1872 C GLY A 117 54.111 32.810 5.989 1.00 0.00 C ATOM 1873 O GLY A 117 54.003 32.457 4.814 1.00 0.00 O ATOM 0 H GLY A 117 53.734 30.831 7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 117 55.309 32.798 7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 117 56.069 32.040 6.376 1.00 0.00 H new ATOM 1877 N ARG A 118 53.366 33.770 6.527 1.00 0.00 N ATOM 1878 CA ARG A 118 52.356 34.479 5.751 1.00 0.00 C ATOM 1879 C ARG A 118 52.138 35.887 6.299 1.00 0.00 C ATOM 1880 O ARG A 118 51.060 36.462 6.147 1.00 0.00 O ATOM 1881 CB ARG A 118 51.036 33.706 5.763 1.00 0.00 C ATOM 1882 CG ARG A 118 50.402 33.560 4.390 1.00 0.00 C ATOM 1883 CD ARG A 118 48.892 33.414 4.486 1.00 0.00 C ATOM 1884 NE ARG A 118 48.376 32.431 3.537 1.00 0.00 N ATOM 1885 CZ ARG A 118 48.606 31.126 3.633 1.00 0.00 C ATOM 1886 NH1 ARG A 118 49.338 30.650 4.630 1.00 0.00 N ATOM 1887 NH2 ARG A 118 48.101 30.294 2.730 1.00 0.00 N ATOM 0 H ARG A 118 53.443 34.075 7.497 1.00 0.00 H new ATOM 0 HA ARG A 118 52.713 34.558 4.724 1.00 0.00 H new ATOM 0 HB2 ARG A 118 51.210 32.714 6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 118 50.334 34.213 6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 118 50.646 34.430 3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 118 50.821 32.690 3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 118 48.620 33.117 5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 118 48.422 34.380 4.300 1.00 0.00 H new ATOM 0 HE ARG A 118 47.808 32.765 2.758 1.00 0.00 H new ATOM 0 HH11 ARG A 118 49.727 31.286 5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 118 49.513 29.648 4.701 1.00 0.00 H new ATOM 0 HH21 ARG A 118 47.536 30.657 1.962 1.00 0.00 H new ATOM 0 HH22 ARG A 118 48.278 29.292 2.804 1.00 0.00 H new ATOM 1901 N ILE A 119 53.168 36.434 6.936 1.00 0.00 N ATOM 1902 CA ILE A 119 53.088 37.773 7.505 1.00 0.00 C ATOM 1903 C ILE A 119 54.464 38.430 7.558 1.00 0.00 C ATOM 1904 O ILE A 119 55.439 37.898 7.028 1.00 0.00 O ATOM 1905 CB ILE A 119 52.489 37.747 8.924 1.00 0.00 C ATOM 1906 CG1 ILE A 119 53.285 36.796 9.820 1.00 0.00 C ATOM 1907 CG2 ILE A 119 51.025 37.336 8.873 1.00 0.00 C ATOM 1908 CD1 ILE A 119 53.268 37.186 11.281 1.00 0.00 C ATOM 0 H ILE A 119 54.067 35.971 7.071 1.00 0.00 H new ATOM 0 HA ILE A 119 52.435 38.354 6.854 1.00 0.00 H new ATOM 0 HB ILE A 119 52.550 38.750 9.347 1.00 0.00 H new ATOM 0 HG12 ILE A 119 52.881 35.789 9.716 1.00 0.00 H new ATOM 0 HG13 ILE A 119 54.318 36.762 9.473 1.00 0.00 H new ATOM 0 HG21 ILE A 119 50.616 37.322 9.883 1.00 0.00 H new ATOM 0 HG22 ILE A 119 50.468 38.049 8.265 1.00 0.00 H new ATOM 0 HG23 ILE A 119 50.941 36.342 8.434 1.00 0.00 H new ATOM 0 HD11 ILE A 119 53.852 36.468 11.856 1.00 0.00 H new ATOM 0 HD12 ILE A 119 53.699 38.180 11.397 1.00 0.00 H new ATOM 0 HD13 ILE A 119 52.240 37.192 11.644 1.00 0.00 H new ATOM 1920 N VAL A 120 54.535 39.590 8.204 1.00 0.00 N ATOM 1921 CA VAL A 120 55.791 40.319 8.330 1.00 0.00 C ATOM 1922 C VAL A 120 56.617 40.215 7.053 1.00 0.00 C ATOM 1923 O VAL A 120 57.831 40.010 7.099 1.00 0.00 O ATOM 1924 CB VAL A 120 56.628 39.796 9.513 1.00 0.00 C ATOM 1925 CG1 VAL A 120 55.895 40.023 10.827 1.00 0.00 C ATOM 1926 CG2 VAL A 120 56.955 38.323 9.324 1.00 0.00 C ATOM 0 H VAL A 120 53.737 40.045 8.648 1.00 0.00 H new ATOM 0 HA VAL A 120 55.534 41.363 8.510 1.00 0.00 H new ATOM 0 HB VAL A 120 57.565 40.351 9.546 1.00 0.00 H new ATOM 0 HG11 VAL A 120 56.501 39.647 11.651 1.00 0.00 H new ATOM 0 HG12 VAL A 120 55.716 41.089 10.964 1.00 0.00 H new ATOM 0 HG13 VAL A 120 54.942 39.495 10.808 1.00 0.00 H new ATOM 0 HG21 VAL A 120 57.547 37.970 10.169 1.00 0.00 H new ATOM 0 HG22 VAL A 120 56.030 37.750 9.264 1.00 0.00 H new ATOM 0 HG23 VAL A 120 57.523 38.192 8.403 1.00 0.00 H new ATOM 1936 N THR A 121 55.952 40.358 5.911 1.00 0.00 N ATOM 1937 CA THR A 121 56.624 40.279 4.620 1.00 0.00 C ATOM 1938 C THR A 121 57.592 41.441 4.432 1.00 0.00 C ATOM 1939 O THR A 121 58.568 41.336 3.688 1.00 0.00 O ATOM 1940 CB THR A 121 55.611 40.277 3.459 1.00 0.00 C ATOM 1941 OG1 THR A 121 56.298 40.137 2.210 1.00 0.00 O ATOM 1942 CG2 THR A 121 54.792 41.558 3.453 1.00 0.00 C ATOM 0 H THR A 121 54.948 40.529 5.854 1.00 0.00 H new ATOM 0 HA THR A 121 57.180 39.341 4.610 1.00 0.00 H new ATOM 0 HB THR A 121 54.935 39.434 3.597 1.00 0.00 H new ATOM 0 HG1 THR A 121 55.647 40.135 1.477 1.00 0.00 H new ATOM 0 HG21 THR A 121 54.084 41.533 2.625 1.00 0.00 H new ATOM 0 HG22 THR A 121 54.248 41.646 4.393 1.00 0.00 H new ATOM 0 HG23 THR A 121 55.457 42.414 3.337 1.00 0.00 H new ATOM 1950 N LEU A 122 57.317 42.550 5.111 1.00 0.00 N ATOM 1951 CA LEU A 122 58.165 43.733 5.020 1.00 0.00 C ATOM 1952 C LEU A 122 57.915 44.674 6.194 1.00 0.00 C ATOM 1953 O LEU A 122 56.848 44.648 6.807 1.00 0.00 O ATOM 1954 CB LEU A 122 57.912 44.466 3.701 1.00 0.00 C ATOM 1955 CG LEU A 122 56.456 44.829 3.404 1.00 0.00 C ATOM 1956 CD1 LEU A 122 56.130 46.211 3.948 1.00 0.00 C ATOM 1957 CD2 LEU A 122 56.185 44.765 1.908 1.00 0.00 C ATOM 0 H LEU A 122 56.513 42.654 5.730 1.00 0.00 H new ATOM 0 HA LEU A 122 59.205 43.408 5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 122 58.502 45.383 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 122 58.284 43.845 2.886 1.00 0.00 H new ATOM 0 HG LEU A 122 55.812 44.104 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 122 55.090 46.453 3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 122 56.285 46.223 5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 122 56.781 46.949 3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 122 55.144 45.026 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 122 56.838 45.468 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 122 56.379 43.755 1.546 1.00 0.00 H new TER 1969 LEU A 122