USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 667 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 9 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 90 THR OG1 : rot 129:sc= 0.395 USER MOD Set 1.3: A 92 THR OG1 : rot 93:sc= 0.217 USER MOD Set 2.1: A 37 THR OG1 : rot -46:sc= 0.361 USER MOD Set 2.2: A 40 HIS : no HD1:sc= -0.837 K(o=-0.48,f=0.25) USER MOD Set 3.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 57 GLN : amide:sc= -4.56 K(o=-4.6,f=-3.8) USER MOD Set 4.1: A 5 THR OG1 : rot -73:sc= 0.412 USER MOD Set 4.2: A 10 ASN : amide:sc= 0.382 K(o=0.79,f=-0.39) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.706 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 30:sc= -0.0187 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.448 K(o=-0.45,f=-1.2) USER MOD Single : A 21 ASN : amide:sc= -0.0267 X(o=-0.027,f=-0.027) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot -140:sc= 0.563 USER MOD Single : A 28 GLN : amide:sc= -0.0381 X(o=-0.038,f=-0.031) USER MOD Single : A 29 ASN : amide:sc=-0.00625 K(o=-0.0063,f=-1.1) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.237 USER MOD Single : A 35 SER OG : rot 180:sc= 0.071 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 30:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0369) USER MOD Single : A 63 SER OG : rot -61:sc= 0.126 USER MOD Single : A 67 TYR OH : rot 129:sc= 0.345 USER MOD Single : A 68 THR OG1 : rot -103:sc= 0.371 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.229 X(o=0.23,f=0.48) USER MOD Single : A 81 THR OG1 : rot -26:sc= 0.779 USER MOD Single : A 82 ASN : amide:sc= -0.0152 K(o=-0.015,f=-1.7!) USER MOD Single : A 85 TYR OH : rot 8:sc= 0.549 USER MOD Single : A 91 HIS : no HD1:sc= -0.952 K(o=-0.95,f=-3.8!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0619 K(o=-0.062,f=-4.8!) USER MOD Single : A 98 ASN : amide:sc= 0.0249 K(o=0.025,f=-1.5) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 179:sc= 0.933 USER MOD Single : A 106 ASN : amide:sc= -0.0136 K(o=-0.014,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 5.679 12.383 -6.227 1.00 0.00 N ATOM 16 CA SER A 2 6.946 12.069 -5.584 1.00 0.00 C ATOM 17 C SER A 2 7.680 13.393 -5.403 1.00 0.00 C ATOM 18 O SER A 2 8.691 13.650 -6.055 1.00 0.00 O ATOM 19 CB SER A 2 7.732 11.071 -6.439 1.00 0.00 C ATOM 20 OG SER A 2 8.976 10.773 -5.839 1.00 0.00 O ATOM 0 HA SER A 2 6.809 11.593 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.153 10.156 -6.563 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.892 11.484 -7.435 1.00 0.00 H new ATOM 0 HG SER A 2 9.464 10.133 -6.398 1.00 0.00 H new ATOM 26 N ALA A 3 7.130 14.224 -4.509 1.00 0.00 N ATOM 27 CA ALA A 3 7.605 15.558 -4.157 1.00 0.00 C ATOM 28 C ALA A 3 7.338 16.541 -5.300 1.00 0.00 C ATOM 29 O ALA A 3 7.206 16.138 -6.456 1.00 0.00 O ATOM 30 CB ALA A 3 9.082 15.544 -3.741 1.00 0.00 C ATOM 0 H ALA A 3 6.294 13.964 -3.985 1.00 0.00 H new ATOM 0 HA ALA A 3 7.044 15.899 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.398 16.556 -3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.210 14.895 -2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.689 15.171 -4.566 1.00 0.00 H new ATOM 36 N THR A 4 7.246 17.836 -4.972 1.00 0.00 N ATOM 37 CA THR A 4 7.016 18.888 -5.953 1.00 0.00 C ATOM 38 C THR A 4 7.950 20.057 -5.671 1.00 0.00 C ATOM 39 O THR A 4 7.637 20.937 -4.872 1.00 0.00 O ATOM 40 CB THR A 4 5.544 19.332 -6.016 1.00 0.00 C ATOM 41 OG1 THR A 4 4.979 19.522 -4.744 1.00 0.00 O ATOM 42 CG2 THR A 4 4.663 18.334 -6.756 1.00 0.00 C ATOM 0 H THR A 4 7.330 18.178 -4.015 1.00 0.00 H new ATOM 0 HA THR A 4 7.240 18.485 -6.941 1.00 0.00 H new ATOM 0 HB THR A 4 5.572 20.279 -6.555 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.045 19.805 -4.840 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.635 18.697 -6.771 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.022 18.220 -7.779 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.700 17.370 -6.249 1.00 0.00 H new ATOM 50 N THR A 5 9.113 20.067 -6.334 1.00 0.00 N ATOM 51 CA THR A 5 10.082 21.117 -6.205 1.00 0.00 C ATOM 52 C THR A 5 9.602 22.124 -7.247 1.00 0.00 C ATOM 53 O THR A 5 9.894 22.020 -8.438 1.00 0.00 O ATOM 54 CB THR A 5 11.476 20.509 -6.393 1.00 0.00 C ATOM 55 OG1 THR A 5 11.971 20.100 -5.135 1.00 0.00 O ATOM 56 CG2 THR A 5 12.427 21.514 -7.011 1.00 0.00 C ATOM 0 H THR A 5 9.394 19.328 -6.979 1.00 0.00 H new ATOM 0 HA THR A 5 10.168 21.621 -5.243 1.00 0.00 H new ATOM 0 HB THR A 5 11.400 19.654 -7.065 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.227 20.888 -4.612 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.409 21.058 -7.134 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.047 21.824 -7.984 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.510 22.384 -6.360 1.00 0.00 H new ATOM 64 N CYS A 6 8.833 23.097 -6.755 1.00 0.00 N ATOM 65 CA CYS A 6 8.229 24.152 -7.538 1.00 0.00 C ATOM 66 C CYS A 6 9.132 25.379 -7.498 1.00 0.00 C ATOM 67 O CYS A 6 8.912 26.295 -6.708 1.00 0.00 O ATOM 68 CB CYS A 6 6.820 24.411 -6.990 1.00 0.00 C ATOM 69 SG CYS A 6 5.558 23.153 -7.371 1.00 0.00 S ATOM 0 H CYS A 6 8.612 23.165 -5.762 1.00 0.00 H new ATOM 0 HA CYS A 6 8.125 23.875 -8.587 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.888 24.510 -5.907 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.474 25.370 -7.376 1.00 0.00 H new ATOM 74 N GLY A 7 10.146 25.377 -8.376 1.00 0.00 N ATOM 75 CA GLY A 7 11.134 26.434 -8.499 1.00 0.00 C ATOM 76 C GLY A 7 12.080 26.360 -7.304 1.00 0.00 C ATOM 77 O GLY A 7 13.123 25.713 -7.375 1.00 0.00 O ATOM 0 H GLY A 7 10.297 24.613 -9.035 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.691 26.324 -9.429 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.644 27.407 -8.534 1.00 0.00 H new ATOM 81 N SER A 8 11.695 27.039 -6.218 1.00 0.00 N ATOM 82 CA SER A 8 12.407 27.103 -4.950 1.00 0.00 C ATOM 83 C SER A 8 11.536 26.559 -3.813 1.00 0.00 C ATOM 84 O SER A 8 12.072 26.138 -2.789 1.00 0.00 O ATOM 85 CB SER A 8 12.838 28.548 -4.674 1.00 0.00 C ATOM 86 OG SER A 8 11.714 29.398 -4.586 1.00 0.00 O ATOM 0 H SER A 8 10.833 27.585 -6.206 1.00 0.00 H new ATOM 0 HA SER A 8 13.299 26.479 -5.009 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.406 28.592 -3.745 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.499 28.893 -5.469 1.00 0.00 H new ATOM 0 HG SER A 8 12.010 30.315 -4.408 1.00 0.00 H new ATOM 92 N THR A 9 10.203 26.570 -3.984 1.00 0.00 N ATOM 93 CA THR A 9 9.246 26.079 -3.007 1.00 0.00 C ATOM 94 C THR A 9 9.276 24.551 -3.056 1.00 0.00 C ATOM 95 O THR A 9 8.548 23.922 -3.824 1.00 0.00 O ATOM 96 CB THR A 9 7.858 26.667 -3.299 1.00 0.00 C ATOM 97 OG1 THR A 9 7.934 28.075 -3.397 1.00 0.00 O ATOM 98 CG2 THR A 9 6.889 26.317 -2.169 1.00 0.00 C ATOM 0 H THR A 9 9.762 26.932 -4.830 1.00 0.00 H new ATOM 0 HA THR A 9 9.501 26.394 -1.995 1.00 0.00 H new ATOM 0 HB THR A 9 7.503 26.246 -4.240 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.043 28.438 -3.585 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.908 26.739 -2.387 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.807 25.234 -2.083 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.261 26.728 -1.231 1.00 0.00 H new ATOM 106 N ASN A 10 10.135 23.971 -2.212 1.00 0.00 N ATOM 107 CA ASN A 10 10.358 22.539 -2.107 1.00 0.00 C ATOM 108 C ASN A 10 9.324 21.893 -1.192 1.00 0.00 C ATOM 109 O ASN A 10 9.384 22.050 0.026 1.00 0.00 O ATOM 110 CB ASN A 10 11.789 22.283 -1.614 1.00 0.00 C ATOM 111 CG ASN A 10 12.832 22.851 -2.579 1.00 0.00 C ATOM 112 OD1 ASN A 10 12.707 22.702 -3.793 1.00 0.00 O ATOM 113 ND2 ASN A 10 13.862 23.510 -2.041 1.00 0.00 N ATOM 0 H ASN A 10 10.710 24.510 -1.564 1.00 0.00 H new ATOM 0 HA ASN A 10 10.242 22.082 -3.090 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.921 22.733 -0.630 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.947 21.211 -1.498 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.581 23.911 -2.643 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.929 23.612 -1.028 1.00 0.00 H new ATOM 120 N TYR A 11 8.379 21.165 -1.798 1.00 0.00 N ATOM 121 CA TYR A 11 7.322 20.456 -1.097 1.00 0.00 C ATOM 122 C TYR A 11 7.695 18.984 -0.938 1.00 0.00 C ATOM 123 O TYR A 11 8.219 18.372 -1.869 1.00 0.00 O ATOM 124 CB TYR A 11 6.042 20.526 -1.927 1.00 0.00 C ATOM 125 CG TYR A 11 5.397 21.888 -2.087 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.033 22.628 -0.951 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.146 22.415 -3.368 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.420 23.882 -1.100 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.533 23.667 -3.515 1.00 0.00 C ATOM 130 CZ TYR A 11 4.157 24.400 -2.378 1.00 0.00 C ATOM 131 OH TYR A 11 3.549 25.613 -2.507 1.00 0.00 O ATOM 0 H TYR A 11 8.334 21.055 -2.811 1.00 0.00 H new ATOM 0 HA TYR A 11 7.180 20.913 -0.118 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.262 20.137 -2.921 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.310 19.856 -1.477 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.224 22.233 0.036 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.428 21.850 -4.244 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.149 24.453 -0.224 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.350 24.067 -4.501 1.00 0.00 H new ATOM 0 HH TYR A 11 3.783 26.179 -1.742 1.00 0.00 H new ATOM 141 N SER A 12 7.407 18.426 0.244 1.00 0.00 N ATOM 142 CA SER A 12 7.656 17.034 0.585 1.00 0.00 C ATOM 143 C SER A 12 6.660 16.163 -0.155 1.00 0.00 C ATOM 144 O SER A 12 5.567 16.621 -0.483 1.00 0.00 O ATOM 145 CB SER A 12 7.522 16.867 2.103 1.00 0.00 C ATOM 146 OG SER A 12 7.930 15.577 2.506 1.00 0.00 O ATOM 0 H SER A 12 6.982 18.952 1.007 1.00 0.00 H new ATOM 0 HA SER A 12 8.662 16.734 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.126 17.619 2.610 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.487 17.035 2.401 1.00 0.00 H new ATOM 0 HG SER A 12 7.838 15.493 3.478 1.00 0.00 H new ATOM 152 N ALA A 13 7.047 14.910 -0.428 1.00 0.00 N ATOM 153 CA ALA A 13 6.165 13.951 -1.075 1.00 0.00 C ATOM 154 C ALA A 13 4.936 13.760 -0.177 1.00 0.00 C ATOM 155 O ALA A 13 3.901 13.282 -0.638 1.00 0.00 O ATOM 156 CB ALA A 13 6.902 12.632 -1.313 1.00 0.00 C ATOM 0 H ALA A 13 7.972 14.543 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 13 5.845 14.317 -2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.231 11.923 -1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.767 12.809 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.234 12.223 -0.359 1.00 0.00 H new ATOM 162 N SER A 14 5.063 14.153 1.103 1.00 0.00 N ATOM 163 CA SER A 14 4.003 14.078 2.093 1.00 0.00 C ATOM 164 C SER A 14 3.016 15.218 1.829 1.00 0.00 C ATOM 165 O SER A 14 1.812 15.023 1.965 1.00 0.00 O ATOM 166 CB SER A 14 4.598 14.181 3.500 1.00 0.00 C ATOM 167 OG SER A 14 3.571 14.161 4.471 1.00 0.00 O ATOM 0 H SER A 14 5.931 14.539 1.475 1.00 0.00 H new ATOM 0 HA SER A 14 3.480 13.124 2.021 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.286 13.354 3.672 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.176 15.101 3.591 1.00 0.00 H new ATOM 0 HG SER A 14 3.965 14.226 5.366 1.00 0.00 H new ATOM 173 N GLN A 15 3.528 16.399 1.451 1.00 0.00 N ATOM 174 CA GLN A 15 2.733 17.577 1.149 1.00 0.00 C ATOM 175 C GLN A 15 1.905 17.384 -0.122 1.00 0.00 C ATOM 176 O GLN A 15 0.774 17.860 -0.191 1.00 0.00 O ATOM 177 CB GLN A 15 3.649 18.806 1.056 1.00 0.00 C ATOM 178 CG GLN A 15 2.931 20.093 1.481 1.00 0.00 C ATOM 179 CD GLN A 15 2.766 20.222 2.997 1.00 0.00 C ATOM 180 OE1 GLN A 15 3.103 19.314 3.755 1.00 0.00 O ATOM 181 NE2 GLN A 15 2.251 21.368 3.448 1.00 0.00 N ATOM 0 H GLN A 15 4.531 16.555 1.347 1.00 0.00 H new ATOM 0 HA GLN A 15 2.021 17.739 1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.524 18.654 1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.009 18.913 0.033 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.489 20.952 1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.948 20.124 1.012 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.982 22.100 2.791 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.126 21.512 4.450 1.00 0.00 H new ATOM 190 N VAL A 16 2.459 16.683 -1.122 1.00 0.00 N ATOM 191 CA VAL A 16 1.768 16.403 -2.378 1.00 0.00 C ATOM 192 C VAL A 16 0.614 15.455 -2.061 1.00 0.00 C ATOM 193 O VAL A 16 -0.517 15.689 -2.481 1.00 0.00 O ATOM 194 CB VAL A 16 2.689 15.752 -3.429 1.00 0.00 C ATOM 195 CG1 VAL A 16 1.978 15.688 -4.787 1.00 0.00 C ATOM 196 CG2 VAL A 16 3.996 16.519 -3.621 1.00 0.00 C ATOM 0 H VAL A 16 3.402 16.296 -1.077 1.00 0.00 H new ATOM 0 HA VAL A 16 1.420 17.344 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 16 2.921 14.754 -3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.638 15.226 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.068 15.095 -4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.723 16.697 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.606 16.016 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.777 17.534 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.539 16.554 -2.677 1.00 0.00 H new ATOM 206 N ARG A 17 0.922 14.391 -1.304 1.00 0.00 N ATOM 207 CA ARG A 17 -0.019 13.361 -0.903 1.00 0.00 C ATOM 208 C ARG A 17 -1.132 13.936 -0.030 1.00 0.00 C ATOM 209 O ARG A 17 -2.270 13.511 -0.167 1.00 0.00 O ATOM 210 CB ARG A 17 0.730 12.234 -0.180 1.00 0.00 C ATOM 211 CG ARG A 17 -0.142 10.980 -0.029 1.00 0.00 C ATOM 212 CD ARG A 17 0.586 9.906 0.782 1.00 0.00 C ATOM 213 NE ARG A 17 0.581 10.222 2.218 1.00 0.00 N ATOM 214 CZ ARG A 17 1.293 9.573 3.154 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.129 8.575 2.825 1.00 0.00 N ATOM 216 NH2 ARG A 17 1.158 9.921 4.442 1.00 0.00 N ATOM 0 H ARG A 17 1.864 14.229 -0.949 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.493 12.952 -1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.635 11.984 -0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.045 12.579 0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.079 11.240 0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.397 10.588 -1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.109 8.939 0.619 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.614 9.818 0.431 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.009 10.994 2.528 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.232 8.297 1.849 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.661 8.095 3.551 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.519 10.672 4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.694 9.435 5.161 1.00 0.00 H new ATOM 230 N ALA A 18 -0.816 14.887 0.858 1.00 0.00 N ATOM 231 CA ALA A 18 -1.783 15.527 1.744 1.00 0.00 C ATOM 232 C ALA A 18 -2.719 16.439 0.948 1.00 0.00 C ATOM 233 O ALA A 18 -3.942 16.325 1.054 1.00 0.00 O ATOM 234 CB ALA A 18 -1.038 16.314 2.827 1.00 0.00 C ATOM 0 H ALA A 18 0.135 15.235 0.979 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.395 14.763 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.759 16.793 3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.410 15.635 3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.414 17.075 2.359 1.00 0.00 H new ATOM 240 N ALA A 19 -2.130 17.335 0.143 1.00 0.00 N ATOM 241 CA ALA A 19 -2.845 18.278 -0.701 1.00 0.00 C ATOM 242 C ALA A 19 -3.809 17.533 -1.621 1.00 0.00 C ATOM 243 O ALA A 19 -4.949 17.958 -1.812 1.00 0.00 O ATOM 244 CB ALA A 19 -1.852 19.125 -1.500 1.00 0.00 C ATOM 0 H ALA A 19 -1.116 17.419 0.066 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.432 18.950 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.397 19.828 -2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.209 19.676 -0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.242 18.475 -2.127 1.00 0.00 H new ATOM 250 N ALA A 20 -3.334 16.408 -2.173 1.00 0.00 N ATOM 251 CA ALA A 20 -4.114 15.569 -3.061 1.00 0.00 C ATOM 252 C ALA A 20 -5.067 14.639 -2.330 1.00 0.00 C ATOM 253 O ALA A 20 -6.062 14.241 -2.924 1.00 0.00 O ATOM 254 CB ALA A 20 -3.210 14.832 -4.053 1.00 0.00 C ATOM 0 H ALA A 20 -2.389 16.062 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.760 16.232 -3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.820 14.209 -4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.659 15.557 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.507 14.204 -3.507 1.00 0.00 H new ATOM 260 N ASN A 21 -4.785 14.276 -1.073 1.00 0.00 N ATOM 261 CA ASN A 21 -5.680 13.430 -0.295 1.00 0.00 C ATOM 262 C ASN A 21 -6.933 14.252 0.020 1.00 0.00 C ATOM 263 O ASN A 21 -8.000 13.680 0.233 1.00 0.00 O ATOM 264 CB ASN A 21 -5.004 12.928 0.991 1.00 0.00 C ATOM 265 CG ASN A 21 -5.985 12.193 1.905 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.438 12.748 2.904 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.319 10.945 1.565 1.00 0.00 N ATOM 0 H ASN A 21 -3.940 14.559 -0.577 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.945 12.541 -0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.181 12.262 0.732 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.573 13.773 1.527 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.973 10.417 2.143 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.920 10.521 0.727 1.00 0.00 H new ATOM 274 N ALA A 22 -6.812 15.591 0.031 1.00 0.00 N ATOM 275 CA ALA A 22 -7.940 16.462 0.332 1.00 0.00 C ATOM 276 C ALA A 22 -8.765 16.543 -0.941 1.00 0.00 C ATOM 277 O ALA A 22 -9.960 16.254 -0.928 1.00 0.00 O ATOM 278 CB ALA A 22 -7.461 17.836 0.783 1.00 0.00 C ATOM 0 H ALA A 22 -5.941 16.084 -0.166 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.539 16.070 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.322 18.468 1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.850 17.732 1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.868 18.293 -0.009 1.00 0.00 H new ATOM 284 N ALA A 23 -8.100 16.952 -2.029 1.00 0.00 N ATOM 285 CA ALA A 23 -8.702 17.059 -3.353 1.00 0.00 C ATOM 286 C ALA A 23 -9.486 15.789 -3.726 1.00 0.00 C ATOM 287 O ALA A 23 -10.650 15.875 -4.105 1.00 0.00 O ATOM 288 CB ALA A 23 -7.602 17.341 -4.379 1.00 0.00 C ATOM 0 H ALA A 23 -7.116 17.220 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.418 17.881 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.043 17.423 -5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.100 18.275 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.878 16.526 -4.369 1.00 0.00 H new ATOM 294 N CYS A 24 -8.847 14.618 -3.604 1.00 0.00 N ATOM 295 CA CYS A 24 -9.398 13.300 -3.912 1.00 0.00 C ATOM 296 C CYS A 24 -10.605 12.951 -3.039 1.00 0.00 C ATOM 297 O CYS A 24 -11.625 12.506 -3.562 1.00 0.00 O ATOM 298 CB CYS A 24 -8.294 12.242 -3.719 1.00 0.00 C ATOM 299 SG CYS A 24 -8.773 10.505 -3.453 1.00 0.00 S ATOM 0 H CYS A 24 -7.884 14.566 -3.271 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.745 13.314 -4.945 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.649 12.275 -4.597 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.688 12.550 -2.867 1.00 0.00 H new ATOM 304 N GLN A 25 -10.498 13.161 -1.721 1.00 0.00 N ATOM 305 CA GLN A 25 -11.549 12.831 -0.772 1.00 0.00 C ATOM 306 C GLN A 25 -12.815 13.640 -1.021 1.00 0.00 C ATOM 307 O GLN A 25 -13.898 13.069 -1.130 1.00 0.00 O ATOM 308 CB GLN A 25 -11.027 13.027 0.657 1.00 0.00 C ATOM 309 CG GLN A 25 -12.091 12.701 1.714 1.00 0.00 C ATOM 310 CD GLN A 25 -11.495 12.721 3.120 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.401 11.682 3.769 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.091 13.903 3.592 1.00 0.00 N ATOM 0 H GLN A 25 -9.669 13.568 -1.288 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.823 11.785 -0.908 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.155 12.392 0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.697 14.058 0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.904 13.424 1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.520 11.720 1.512 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.188 14.741 3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.686 13.968 4.526 1.00 0.00 H new ATOM 321 N TYR A 26 -12.671 14.962 -1.124 1.00 0.00 N ATOM 322 CA TYR A 26 -13.798 15.861 -1.324 1.00 0.00 C ATOM 323 C TYR A 26 -14.425 15.706 -2.707 1.00 0.00 C ATOM 324 O TYR A 26 -15.644 15.576 -2.811 1.00 0.00 O ATOM 325 CB TYR A 26 -13.366 17.314 -1.077 1.00 0.00 C ATOM 326 CG TYR A 26 -12.701 17.596 0.258 1.00 0.00 C ATOM 327 CD1 TYR A 26 -13.108 16.930 1.432 1.00 0.00 C ATOM 328 CD2 TYR A 26 -11.669 18.550 0.324 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.471 17.199 2.655 1.00 0.00 C ATOM 330 CE2 TYR A 26 -11.041 18.825 1.549 1.00 0.00 C ATOM 331 CZ TYR A 26 -11.435 18.146 2.714 1.00 0.00 C ATOM 332 OH TYR A 26 -10.823 18.410 3.904 1.00 0.00 O ATOM 0 H TYR A 26 -11.769 15.435 -1.071 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.566 15.591 -0.600 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -12.679 17.607 -1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -14.245 17.953 -1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.912 16.210 1.391 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.359 19.072 -0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.778 16.678 3.550 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.252 19.561 1.596 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.656 19.373 3.979 1.00 0.00 H new ATOM 342 N TYR A 27 -13.604 15.698 -3.763 1.00 0.00 N ATOM 343 CA TYR A 27 -14.090 15.607 -5.131 1.00 0.00 C ATOM 344 C TYR A 27 -14.819 14.294 -5.438 1.00 0.00 C ATOM 345 O TYR A 27 -15.619 14.260 -6.373 1.00 0.00 O ATOM 346 CB TYR A 27 -12.972 15.930 -6.140 1.00 0.00 C ATOM 347 CG TYR A 27 -13.525 16.264 -7.511 1.00 0.00 C ATOM 348 CD1 TYR A 27 -14.300 17.429 -7.679 1.00 0.00 C ATOM 349 CD2 TYR A 27 -13.285 15.417 -8.611 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.844 17.744 -8.936 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.838 15.733 -9.863 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.623 16.887 -10.028 1.00 0.00 C ATOM 353 OH TYR A 27 -15.156 17.180 -11.249 1.00 0.00 O ATOM 0 H TYR A 27 -12.588 15.755 -3.687 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.857 16.374 -5.243 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.383 16.770 -5.772 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.297 15.078 -6.219 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.477 18.083 -6.838 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.680 14.530 -8.492 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.430 18.642 -9.063 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.658 15.083 -10.707 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.905 16.484 -11.891 1.00 0.00 H new ATOM 363 N GLN A 28 -14.564 13.229 -4.660 1.00 0.00 N ATOM 364 CA GLN A 28 -15.201 11.923 -4.843 1.00 0.00 C ATOM 365 C GLN A 28 -16.194 11.556 -3.733 1.00 0.00 C ATOM 366 O GLN A 28 -16.652 10.415 -3.700 1.00 0.00 O ATOM 367 CB GLN A 28 -14.134 10.828 -4.961 1.00 0.00 C ATOM 368 CG GLN A 28 -13.196 11.032 -6.149 1.00 0.00 C ATOM 369 CD GLN A 28 -13.897 10.905 -7.502 1.00 0.00 C ATOM 370 OE1 GLN A 28 -14.001 9.807 -8.046 1.00 0.00 O ATOM 371 NE2 GLN A 28 -14.369 12.025 -8.056 1.00 0.00 N ATOM 0 H GLN A 28 -13.905 13.255 -3.882 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.778 11.997 -5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.547 10.800 -4.043 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.625 9.859 -5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.738 12.018 -6.076 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.389 10.301 -6.096 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.263 12.917 -7.573 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.836 11.988 -8.962 1.00 0.00 H new ATOM 380 N ASN A 29 -16.549 12.485 -2.836 1.00 0.00 N ATOM 381 CA ASN A 29 -17.474 12.195 -1.749 1.00 0.00 C ATOM 382 C ASN A 29 -18.094 13.501 -1.258 1.00 0.00 C ATOM 383 O ASN A 29 -17.917 13.880 -0.100 1.00 0.00 O ATOM 384 CB ASN A 29 -16.746 11.422 -0.635 1.00 0.00 C ATOM 385 CG ASN A 29 -17.681 10.870 0.442 1.00 0.00 C ATOM 386 OD1 ASN A 29 -18.904 10.913 0.308 1.00 0.00 O ATOM 387 ND2 ASN A 29 -17.095 10.345 1.520 1.00 0.00 N ATOM 0 H ASN A 29 -16.205 13.445 -2.848 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.286 11.556 -2.095 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.192 10.596 -1.081 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -16.015 12.080 -0.166 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.665 9.959 2.273 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.078 10.329 1.591 1.00 0.00 H new ATOM 394 N ASP A 30 -18.808 14.181 -2.167 1.00 0.00 N ATOM 395 CA ASP A 30 -19.498 15.444 -1.942 1.00 0.00 C ATOM 396 C ASP A 30 -18.472 16.529 -1.624 1.00 0.00 C ATOM 397 O ASP A 30 -18.013 16.640 -0.488 1.00 0.00 O ATOM 398 CB ASP A 30 -20.582 15.306 -0.862 1.00 0.00 C ATOM 399 CG ASP A 30 -21.395 16.591 -0.716 1.00 0.00 C ATOM 400 OD1 ASP A 30 -22.324 16.773 -1.533 1.00 0.00 O ATOM 401 OD2 ASP A 30 -21.071 17.371 0.204 1.00 0.00 O ATOM 0 H ASP A 30 -18.921 13.842 -3.123 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.026 15.739 -2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.247 14.481 -1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.117 15.058 0.092 1.00 0.00 H new ATOM 406 N ASP A 31 -18.119 17.333 -2.632 1.00 0.00 N ATOM 407 CA ASP A 31 -17.134 18.392 -2.485 1.00 0.00 C ATOM 408 C ASP A 31 -17.547 19.450 -1.460 1.00 0.00 C ATOM 409 O ASP A 31 -18.529 20.167 -1.641 1.00 0.00 O ATOM 410 CB ASP A 31 -16.704 18.987 -3.835 1.00 0.00 C ATOM 411 CG ASP A 31 -17.841 19.239 -4.827 1.00 0.00 C ATOM 412 OD1 ASP A 31 -18.899 19.743 -4.392 1.00 0.00 O ATOM 413 OD2 ASP A 31 -17.627 18.923 -6.018 1.00 0.00 O ATOM 0 H ASP A 31 -18.512 17.262 -3.570 1.00 0.00 H new ATOM 0 HA ASP A 31 -16.241 17.924 -2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.188 19.929 -3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.982 18.314 -4.297 1.00 0.00 H new ATOM 418 N THR A 32 -16.768 19.512 -0.375 1.00 0.00 N ATOM 419 CA THR A 32 -16.915 20.434 0.736 1.00 0.00 C ATOM 420 C THR A 32 -15.794 21.461 0.581 1.00 0.00 C ATOM 421 O THR A 32 -16.043 22.580 0.136 1.00 0.00 O ATOM 422 CB THR A 32 -16.863 19.670 2.073 1.00 0.00 C ATOM 423 OG1 THR A 32 -15.798 18.735 2.095 1.00 0.00 O ATOM 424 CG2 THR A 32 -18.180 18.931 2.333 1.00 0.00 C ATOM 0 H THR A 32 -15.976 18.881 -0.250 1.00 0.00 H new ATOM 0 HA THR A 32 -17.879 20.943 0.735 1.00 0.00 H new ATOM 0 HB THR A 32 -16.700 20.411 2.856 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.791 18.268 2.956 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.118 18.400 3.283 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.999 19.649 2.372 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.362 18.217 1.529 1.00 0.00 H new ATOM 432 N ALA A 33 -14.565 21.064 0.944 1.00 0.00 N ATOM 433 CA ALA A 33 -13.352 21.864 0.856 1.00 0.00 C ATOM 434 C ALA A 33 -13.400 23.155 1.678 1.00 0.00 C ATOM 435 O ALA A 33 -14.388 23.445 2.350 1.00 0.00 O ATOM 436 CB ALA A 33 -13.017 22.123 -0.614 1.00 0.00 C ATOM 0 H ALA A 33 -14.391 20.133 1.323 1.00 0.00 H new ATOM 0 HA ALA A 33 -12.547 21.287 1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.109 22.722 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.863 21.173 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.840 22.659 -1.086 1.00 0.00 H new ATOM 442 N GLY A 34 -12.305 23.924 1.625 1.00 0.00 N ATOM 443 CA GLY A 34 -12.173 25.191 2.322 1.00 0.00 C ATOM 444 C GLY A 34 -13.020 26.249 1.623 1.00 0.00 C ATOM 445 O GLY A 34 -13.960 26.776 2.216 1.00 0.00 O ATOM 0 H GLY A 34 -11.477 23.671 1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.491 25.082 3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.128 25.501 2.340 1.00 0.00 H new ATOM 449 N SER A 35 -12.688 26.545 0.358 1.00 0.00 N ATOM 450 CA SER A 35 -13.394 27.517 -0.459 1.00 0.00 C ATOM 451 C SER A 35 -14.642 26.869 -1.067 1.00 0.00 C ATOM 452 O SER A 35 -15.597 26.593 -0.341 1.00 0.00 O ATOM 453 CB SER A 35 -12.419 28.136 -1.476 1.00 0.00 C ATOM 454 OG SER A 35 -11.754 27.154 -2.249 1.00 0.00 O ATOM 0 H SER A 35 -11.906 26.103 -0.126 1.00 0.00 H new ATOM 0 HA SER A 35 -13.762 28.350 0.139 1.00 0.00 H new ATOM 0 HB2 SER A 35 -12.966 28.807 -2.138 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.681 28.740 -0.948 1.00 0.00 H new ATOM 0 HG SER A 35 -11.147 27.592 -2.882 1.00 0.00 H new ATOM 460 N SER A 36 -14.641 26.618 -2.382 1.00 0.00 N ATOM 461 CA SER A 36 -15.755 26.022 -3.111 1.00 0.00 C ATOM 462 C SER A 36 -15.318 25.658 -4.529 1.00 0.00 C ATOM 463 O SER A 36 -15.511 24.522 -4.961 1.00 0.00 O ATOM 464 CB SER A 36 -16.963 26.972 -3.142 1.00 0.00 C ATOM 465 OG SER A 36 -16.601 28.248 -3.636 1.00 0.00 O ATOM 0 H SER A 36 -13.842 26.831 -2.979 1.00 0.00 H new ATOM 0 HA SER A 36 -16.059 25.112 -2.593 1.00 0.00 H new ATOM 0 HB2 SER A 36 -17.747 26.546 -3.768 1.00 0.00 H new ATOM 0 HB3 SER A 36 -17.376 27.072 -2.138 1.00 0.00 H new ATOM 0 HG SER A 36 -17.389 28.831 -3.646 1.00 0.00 H new ATOM 471 N THR A 37 -14.718 26.621 -5.244 1.00 0.00 N ATOM 472 CA THR A 37 -14.243 26.473 -6.616 1.00 0.00 C ATOM 473 C THR A 37 -12.879 25.762 -6.703 1.00 0.00 C ATOM 474 O THR A 37 -12.097 26.035 -7.609 1.00 0.00 O ATOM 475 CB THR A 37 -14.289 27.851 -7.305 1.00 0.00 C ATOM 476 OG1 THR A 37 -14.087 27.722 -8.698 1.00 0.00 O ATOM 477 CG2 THR A 37 -13.284 28.860 -6.733 1.00 0.00 C ATOM 0 H THR A 37 -14.547 27.553 -4.865 1.00 0.00 H new ATOM 0 HA THR A 37 -14.907 25.804 -7.163 1.00 0.00 H new ATOM 0 HB THR A 37 -15.285 28.246 -7.105 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.332 27.120 -8.865 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.374 29.806 -7.267 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.491 29.019 -5.675 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.272 28.472 -6.851 1.00 0.00 H new ATOM 485 N TYR A 38 -12.605 24.845 -5.764 1.00 0.00 N ATOM 486 CA TYR A 38 -11.410 24.015 -5.629 1.00 0.00 C ATOM 487 C TYR A 38 -11.776 22.995 -4.536 1.00 0.00 C ATOM 488 O TYR A 38 -11.972 23.406 -3.392 1.00 0.00 O ATOM 489 CB TYR A 38 -10.163 24.810 -5.161 1.00 0.00 C ATOM 490 CG TYR A 38 -9.573 25.883 -6.071 1.00 0.00 C ATOM 491 CD1 TYR A 38 -8.576 25.580 -7.026 1.00 0.00 C ATOM 492 CD2 TYR A 38 -10.023 27.211 -5.947 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.054 26.590 -7.852 1.00 0.00 C ATOM 494 CE2 TYR A 38 -9.496 28.221 -6.772 1.00 0.00 C ATOM 495 CZ TYR A 38 -8.520 27.908 -7.732 1.00 0.00 C ATOM 496 OH TYR A 38 -8.016 28.887 -8.537 1.00 0.00 O ATOM 0 H TYR A 38 -13.274 24.652 -5.018 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.146 23.577 -6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.416 25.287 -4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.374 24.088 -4.953 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.214 24.567 -7.121 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -10.777 27.456 -5.214 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.293 26.351 -8.580 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.842 29.239 -6.667 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.448 29.740 -8.324 1.00 0.00 H new ATOM 506 N PRO A 39 -11.888 21.686 -4.826 1.00 0.00 N ATOM 507 CA PRO A 39 -11.671 21.044 -6.106 1.00 0.00 C ATOM 508 C PRO A 39 -12.849 21.276 -7.051 1.00 0.00 C ATOM 509 O PRO A 39 -14.007 21.147 -6.653 1.00 0.00 O ATOM 510 CB PRO A 39 -11.485 19.558 -5.793 1.00 0.00 C ATOM 511 CG PRO A 39 -12.365 19.356 -4.563 1.00 0.00 C ATOM 512 CD PRO A 39 -12.246 20.692 -3.829 1.00 0.00 C ATOM 0 HA PRO A 39 -10.800 21.454 -6.618 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.801 18.927 -6.624 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.442 19.316 -5.588 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.397 19.137 -4.837 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.015 18.526 -3.949 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.187 20.952 -3.344 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.488 20.638 -3.047 1.00 0.00 H new ATOM 520 N HIS A 40 -12.536 21.627 -8.303 1.00 0.00 N ATOM 521 CA HIS A 40 -13.499 21.877 -9.365 1.00 0.00 C ATOM 522 C HIS A 40 -12.805 21.636 -10.706 1.00 0.00 C ATOM 523 O HIS A 40 -11.575 21.642 -10.765 1.00 0.00 O ATOM 524 CB HIS A 40 -14.065 23.306 -9.271 1.00 0.00 C ATOM 525 CG HIS A 40 -13.270 24.356 -10.015 1.00 0.00 C ATOM 526 ND1 HIS A 40 -13.879 25.299 -10.831 1.00 0.00 N ATOM 527 CD2 HIS A 40 -11.923 24.631 -10.096 1.00 0.00 C ATOM 528 CE1 HIS A 40 -12.909 26.069 -11.347 1.00 0.00 C ATOM 529 NE2 HIS A 40 -11.690 25.716 -10.934 1.00 0.00 N ATOM 0 H HIS A 40 -11.570 21.747 -8.609 1.00 0.00 H new ATOM 0 HA HIS A 40 -14.347 21.199 -9.267 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -15.085 23.303 -9.656 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -14.121 23.591 -8.220 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.152 24.079 -9.579 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.095 26.888 -12.025 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.796 26.143 -11.177 1.00 0.00 H new ATOM 537 N THR A 41 -13.581 21.437 -11.782 1.00 0.00 N ATOM 538 CA THR A 41 -13.008 21.202 -13.101 1.00 0.00 C ATOM 539 C THR A 41 -12.161 22.395 -13.548 1.00 0.00 C ATOM 540 O THR A 41 -12.502 23.546 -13.276 1.00 0.00 O ATOM 541 CB THR A 41 -14.071 20.797 -14.131 1.00 0.00 C ATOM 542 OG1 THR A 41 -13.435 20.171 -15.228 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.854 22.001 -14.649 1.00 0.00 C ATOM 0 H THR A 41 -14.601 21.435 -11.758 1.00 0.00 H new ATOM 0 HA THR A 41 -12.336 20.347 -13.028 1.00 0.00 H new ATOM 0 HB THR A 41 -14.770 20.120 -13.639 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.108 19.908 -15.890 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.595 21.668 -15.375 1.00 0.00 H new ATOM 0 HG22 THR A 41 -15.357 22.493 -13.817 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.169 22.703 -15.125 1.00 0.00 H new ATOM 551 N TYR A 42 -11.058 22.102 -14.238 1.00 0.00 N ATOM 552 CA TYR A 42 -10.121 23.097 -14.734 1.00 0.00 C ATOM 553 C TYR A 42 -10.688 23.667 -16.038 1.00 0.00 C ATOM 554 O TYR A 42 -10.955 22.918 -16.976 1.00 0.00 O ATOM 555 CB TYR A 42 -8.746 22.431 -14.927 1.00 0.00 C ATOM 556 CG TYR A 42 -7.511 23.325 -14.916 1.00 0.00 C ATOM 557 CD1 TYR A 42 -7.522 24.621 -15.469 1.00 0.00 C ATOM 558 CD2 TYR A 42 -6.320 22.842 -14.342 1.00 0.00 C ATOM 559 CE1 TYR A 42 -6.365 25.417 -15.455 1.00 0.00 C ATOM 560 CE2 TYR A 42 -5.165 23.645 -14.313 1.00 0.00 C ATOM 561 CZ TYR A 42 -5.183 24.929 -14.880 1.00 0.00 C ATOM 562 OH TYR A 42 -4.062 25.704 -14.865 1.00 0.00 O ATOM 0 H TYR A 42 -10.790 21.145 -14.470 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.987 23.920 -14.032 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.624 21.683 -14.143 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.764 21.897 -15.877 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -8.430 25.006 -15.908 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.293 21.848 -13.921 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.386 26.406 -15.888 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.262 23.272 -13.853 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.318 26.649 -14.828 1.00 0.00 H new ATOM 572 N ASN A 43 -10.877 24.992 -16.082 1.00 0.00 N ATOM 573 CA ASN A 43 -11.394 25.709 -17.240 1.00 0.00 C ATOM 574 C ASN A 43 -10.432 25.607 -18.430 1.00 0.00 C ATOM 575 O ASN A 43 -9.255 25.289 -18.265 1.00 0.00 O ATOM 576 CB ASN A 43 -11.633 27.178 -16.866 1.00 0.00 C ATOM 577 CG ASN A 43 -12.646 27.361 -15.735 1.00 0.00 C ATOM 578 OD1 ASN A 43 -13.324 26.418 -15.326 1.00 0.00 O ATOM 579 ND2 ASN A 43 -12.750 28.590 -15.223 1.00 0.00 N ATOM 0 H ASN A 43 -10.668 25.603 -15.293 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.338 25.254 -17.540 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.685 27.629 -16.571 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.982 27.717 -17.747 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.409 28.773 -14.466 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.171 29.346 -15.589 1.00 0.00 H new ATOM 586 N ASN A 44 -10.944 25.891 -19.633 1.00 0.00 N ATOM 587 CA ASN A 44 -10.190 25.830 -20.878 1.00 0.00 C ATOM 588 C ASN A 44 -9.855 27.242 -21.358 1.00 0.00 C ATOM 589 O ASN A 44 -10.434 27.722 -22.332 1.00 0.00 O ATOM 590 CB ASN A 44 -11.002 25.038 -21.912 1.00 0.00 C ATOM 591 CG ASN A 44 -11.316 23.625 -21.419 1.00 0.00 C ATOM 592 OD1 ASN A 44 -12.451 23.334 -21.047 1.00 0.00 O ATOM 593 ND2 ASN A 44 -10.308 22.748 -21.413 1.00 0.00 N ATOM 0 H ASN A 44 -11.915 26.175 -19.765 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.242 25.315 -20.725 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.932 25.564 -22.126 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.445 24.982 -22.847 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.465 21.793 -21.091 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.382 23.033 -21.731 1.00 0.00 H new ATOM 600 N TYR A 45 -8.908 27.902 -20.673 1.00 0.00 N ATOM 601 CA TYR A 45 -8.460 29.248 -21.010 1.00 0.00 C ATOM 602 C TYR A 45 -7.440 29.123 -22.149 1.00 0.00 C ATOM 603 O TYR A 45 -7.834 29.164 -23.313 1.00 0.00 O ATOM 604 CB TYR A 45 -7.959 29.962 -19.737 1.00 0.00 C ATOM 605 CG TYR A 45 -7.831 31.482 -19.795 1.00 0.00 C ATOM 606 CD1 TYR A 45 -7.116 32.119 -20.828 1.00 0.00 C ATOM 607 CD2 TYR A 45 -8.429 32.270 -18.791 1.00 0.00 C ATOM 608 CE1 TYR A 45 -7.011 33.520 -20.866 1.00 0.00 C ATOM 609 CE2 TYR A 45 -8.314 33.671 -18.821 1.00 0.00 C ATOM 610 CZ TYR A 45 -7.607 34.298 -19.862 1.00 0.00 C ATOM 611 OH TYR A 45 -7.491 35.658 -19.899 1.00 0.00 O ATOM 0 H TYR A 45 -8.432 27.506 -19.863 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.263 29.886 -21.379 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.636 29.711 -18.920 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.983 29.550 -19.481 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.644 31.526 -21.597 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.980 31.794 -17.993 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.471 33.999 -21.669 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.769 34.266 -18.043 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.961 36.047 -19.132 1.00 0.00 H new ATOM 621 N GLU A 46 -6.150 28.959 -21.824 1.00 0.00 N ATOM 622 CA GLU A 46 -5.058 28.808 -22.781 1.00 0.00 C ATOM 623 C GLU A 46 -3.900 28.059 -22.114 1.00 0.00 C ATOM 624 O GLU A 46 -3.463 27.021 -22.608 1.00 0.00 O ATOM 625 CB GLU A 46 -4.544 30.175 -23.274 1.00 0.00 C ATOM 626 CG GLU A 46 -5.467 30.898 -24.263 1.00 0.00 C ATOM 627 CD GLU A 46 -4.819 32.185 -24.772 1.00 0.00 C ATOM 628 OE1 GLU A 46 -4.105 32.096 -25.794 1.00 0.00 O ATOM 629 OE2 GLU A 46 -5.047 33.232 -24.128 1.00 0.00 O ATOM 0 H GLU A 46 -5.833 28.928 -20.855 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.437 28.251 -23.638 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.387 30.820 -22.410 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.572 30.032 -23.746 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.691 30.242 -25.104 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.415 31.130 -23.778 1.00 0.00 H new ATOM 636 N GLY A 47 -3.412 28.595 -20.987 1.00 0.00 N ATOM 637 CA GLY A 47 -2.300 28.058 -20.221 1.00 0.00 C ATOM 638 C GLY A 47 -2.544 26.664 -19.641 1.00 0.00 C ATOM 639 O GLY A 47 -3.603 26.392 -19.077 1.00 0.00 O ATOM 0 H GLY A 47 -3.801 29.444 -20.577 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.418 28.022 -20.861 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.074 28.743 -19.404 1.00 0.00 H new ATOM 643 N PHE A 48 -1.525 25.808 -19.790 1.00 0.00 N ATOM 644 CA PHE A 48 -1.413 24.426 -19.344 1.00 0.00 C ATOM 645 C PHE A 48 -2.519 23.451 -19.755 1.00 0.00 C ATOM 646 O PHE A 48 -3.615 23.830 -20.161 1.00 0.00 O ATOM 647 CB PHE A 48 -1.124 24.402 -17.838 1.00 0.00 C ATOM 648 CG PHE A 48 0.349 24.217 -17.536 1.00 0.00 C ATOM 649 CD1 PHE A 48 0.886 22.922 -17.407 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.185 25.340 -17.400 1.00 0.00 C ATOM 651 CE1 PHE A 48 2.256 22.753 -17.142 1.00 0.00 C ATOM 652 CE2 PHE A 48 2.553 25.168 -17.137 1.00 0.00 C ATOM 653 CZ PHE A 48 3.089 23.876 -17.009 1.00 0.00 C ATOM 0 H PHE A 48 -0.677 26.102 -20.275 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.572 24.018 -19.905 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.470 25.333 -17.389 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.691 23.595 -17.375 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.246 22.059 -17.512 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.774 26.334 -17.498 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.668 21.760 -17.041 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.195 26.031 -17.033 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.142 23.746 -16.808 1.00 0.00 H new ATOM 663 N ASP A 49 -2.171 22.163 -19.639 1.00 0.00 N ATOM 664 CA ASP A 49 -2.997 21.001 -19.931 1.00 0.00 C ATOM 665 C ASP A 49 -2.357 19.800 -19.226 1.00 0.00 C ATOM 666 O ASP A 49 -1.183 19.846 -18.860 1.00 0.00 O ATOM 667 CB ASP A 49 -3.090 20.783 -21.448 1.00 0.00 C ATOM 668 CG ASP A 49 -4.204 19.813 -21.839 1.00 0.00 C ATOM 669 OD1 ASP A 49 -5.329 20.307 -22.065 1.00 0.00 O ATOM 670 OD2 ASP A 49 -3.918 18.599 -21.916 1.00 0.00 O ATOM 0 H ASP A 49 -1.241 21.895 -19.316 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.016 21.141 -19.570 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.260 21.741 -21.939 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.137 20.402 -21.815 1.00 0.00 H new ATOM 675 N PHE A 50 -3.135 18.729 -19.029 1.00 0.00 N ATOM 676 CA PHE A 50 -2.695 17.513 -18.358 1.00 0.00 C ATOM 677 C PHE A 50 -3.226 16.313 -19.145 1.00 0.00 C ATOM 678 O PHE A 50 -4.225 15.720 -18.739 1.00 0.00 O ATOM 679 CB PHE A 50 -3.167 17.516 -16.893 1.00 0.00 C ATOM 680 CG PHE A 50 -2.696 18.733 -16.117 1.00 0.00 C ATOM 681 CD1 PHE A 50 -3.415 19.940 -16.214 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.543 18.673 -15.312 1.00 0.00 C ATOM 683 CE1 PHE A 50 -2.980 21.077 -15.520 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.113 19.813 -14.610 1.00 0.00 C ATOM 685 CZ PHE A 50 -1.831 21.016 -14.716 1.00 0.00 C ATOM 0 H PHE A 50 -4.106 18.689 -19.340 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.607 17.453 -18.332 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.256 17.476 -16.869 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.804 16.615 -16.399 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.304 19.989 -16.825 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.988 17.750 -15.233 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.530 22.003 -15.604 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.231 19.764 -13.989 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.499 21.893 -14.180 1.00 0.00 H new ATOM 695 N PRO A 51 -2.580 15.953 -20.271 1.00 0.00 N ATOM 696 CA PRO A 51 -2.984 14.841 -21.123 1.00 0.00 C ATOM 697 C PRO A 51 -2.579 13.510 -20.479 1.00 0.00 C ATOM 698 O PRO A 51 -1.667 12.830 -20.948 1.00 0.00 O ATOM 699 CB PRO A 51 -2.279 15.101 -22.456 1.00 0.00 C ATOM 700 CG PRO A 51 -0.969 15.751 -22.017 1.00 0.00 C ATOM 701 CD PRO A 51 -1.402 16.609 -20.829 1.00 0.00 C ATOM 0 HA PRO A 51 -4.062 14.772 -21.266 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.108 14.179 -23.011 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.862 15.758 -23.102 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.225 15.008 -21.730 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.529 16.353 -22.812 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.606 16.680 -20.088 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.634 17.626 -21.145 1.00 0.00 H new ATOM 709 N VAL A 52 -3.281 13.153 -19.397 1.00 0.00 N ATOM 710 CA VAL A 52 -3.070 11.950 -18.605 1.00 0.00 C ATOM 711 C VAL A 52 -4.357 11.127 -18.648 1.00 0.00 C ATOM 712 O VAL A 52 -4.374 10.045 -19.233 1.00 0.00 O ATOM 713 CB VAL A 52 -2.657 12.364 -17.179 1.00 0.00 C ATOM 714 CG1 VAL A 52 -2.549 11.156 -16.238 1.00 0.00 C ATOM 715 CG2 VAL A 52 -1.303 13.088 -17.207 1.00 0.00 C ATOM 0 H VAL A 52 -4.045 13.726 -19.039 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.266 11.328 -18.999 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.435 13.028 -16.803 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.256 11.494 -15.244 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.514 10.653 -16.180 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.800 10.462 -16.621 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.023 13.375 -16.193 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.544 12.423 -17.619 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.380 13.980 -17.829 1.00 0.00 H new ATOM 725 N ASP A 53 -5.428 11.648 -18.038 1.00 0.00 N ATOM 726 CA ASP A 53 -6.739 11.018 -17.991 1.00 0.00 C ATOM 727 C ASP A 53 -7.748 12.068 -17.527 1.00 0.00 C ATOM 728 O ASP A 53 -8.141 12.093 -16.362 1.00 0.00 O ATOM 729 CB ASP A 53 -6.718 9.778 -17.080 1.00 0.00 C ATOM 730 CG ASP A 53 -8.082 9.094 -17.028 1.00 0.00 C ATOM 731 OD1 ASP A 53 -8.476 8.534 -18.074 1.00 0.00 O ATOM 732 OD2 ASP A 53 -8.708 9.144 -15.947 1.00 0.00 O ATOM 0 H ASP A 53 -5.399 12.544 -17.552 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.030 10.659 -18.978 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.970 9.072 -17.442 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.419 10.071 -16.074 1.00 0.00 H new ATOM 737 N GLY A 54 -8.157 12.945 -18.452 1.00 0.00 N ATOM 738 CA GLY A 54 -9.119 13.998 -18.173 1.00 0.00 C ATOM 739 C GLY A 54 -10.533 13.434 -18.017 1.00 0.00 C ATOM 740 O GLY A 54 -10.795 12.311 -18.448 1.00 0.00 O ATOM 0 H GLY A 54 -7.824 12.937 -19.416 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.832 14.523 -17.262 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.104 14.730 -18.981 1.00 0.00 H new ATOM 744 N PRO A 55 -11.460 14.196 -17.410 1.00 0.00 N ATOM 745 CA PRO A 55 -11.270 15.537 -16.868 1.00 0.00 C ATOM 746 C PRO A 55 -10.435 15.548 -15.581 1.00 0.00 C ATOM 747 O PRO A 55 -10.399 14.565 -14.845 1.00 0.00 O ATOM 748 CB PRO A 55 -12.688 16.041 -16.580 1.00 0.00 C ATOM 749 CG PRO A 55 -13.438 14.760 -16.237 1.00 0.00 C ATOM 750 CD PRO A 55 -12.834 13.764 -17.223 1.00 0.00 C ATOM 0 HA PRO A 55 -10.721 16.163 -17.571 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.704 16.753 -15.755 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.122 16.545 -17.444 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.277 14.458 -15.202 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.514 14.868 -16.374 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.877 12.748 -16.832 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.379 13.765 -18.167 1.00 0.00 H new ATOM 758 N TYR A 56 -9.753 16.673 -15.333 1.00 0.00 N ATOM 759 CA TYR A 56 -8.911 16.946 -14.185 1.00 0.00 C ATOM 760 C TYR A 56 -9.410 18.184 -13.437 1.00 0.00 C ATOM 761 O TYR A 56 -10.094 19.032 -14.010 1.00 0.00 O ATOM 762 CB TYR A 56 -7.475 17.099 -14.699 1.00 0.00 C ATOM 763 CG TYR A 56 -7.317 17.743 -16.066 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.418 19.137 -16.217 1.00 0.00 C ATOM 765 CD2 TYR A 56 -7.081 16.933 -17.194 1.00 0.00 C ATOM 766 CE1 TYR A 56 -7.282 19.717 -17.491 1.00 0.00 C ATOM 767 CE2 TYR A 56 -6.947 17.511 -18.465 1.00 0.00 C ATOM 768 CZ TYR A 56 -7.057 18.903 -18.616 1.00 0.00 C ATOM 769 OH TYR A 56 -6.936 19.461 -19.853 1.00 0.00 O ATOM 0 H TYR A 56 -9.784 17.463 -15.978 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.945 16.131 -13.463 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.913 17.689 -13.975 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.015 16.111 -14.730 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.600 19.762 -15.355 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -7.003 15.862 -17.080 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.350 20.789 -17.606 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.760 16.887 -19.326 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.783 18.756 -20.516 1.00 0.00 H new ATOM 779 N GLN A 57 -9.050 18.264 -12.147 1.00 0.00 N ATOM 780 CA GLN A 57 -9.442 19.324 -11.228 1.00 0.00 C ATOM 781 C GLN A 57 -8.251 19.947 -10.518 1.00 0.00 C ATOM 782 O GLN A 57 -7.235 19.285 -10.312 1.00 0.00 O ATOM 783 CB GLN A 57 -10.336 18.751 -10.122 1.00 0.00 C ATOM 784 CG GLN A 57 -11.673 18.182 -10.592 1.00 0.00 C ATOM 785 CD GLN A 57 -11.549 16.961 -11.502 1.00 0.00 C ATOM 786 OE1 GLN A 57 -12.148 16.922 -12.576 1.00 0.00 O ATOM 787 NE2 GLN A 57 -10.767 15.964 -11.083 1.00 0.00 N ATOM 0 H GLN A 57 -8.455 17.562 -11.706 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.951 20.074 -11.833 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.787 17.964 -9.605 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.531 19.536 -9.392 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.267 17.912 -9.719 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.221 18.962 -11.121 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.287 16.035 -10.186 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.649 15.131 -11.660 1.00 0.00 H new ATOM 796 N GLU A 58 -8.408 21.221 -10.135 1.00 0.00 N ATOM 797 CA GLU A 58 -7.386 22.004 -9.457 1.00 0.00 C ATOM 798 C GLU A 58 -7.545 21.950 -7.940 1.00 0.00 C ATOM 799 O GLU A 58 -8.631 21.690 -7.434 1.00 0.00 O ATOM 800 CB GLU A 58 -7.470 23.471 -9.903 1.00 0.00 C ATOM 801 CG GLU A 58 -7.132 23.650 -11.383 1.00 0.00 C ATOM 802 CD GLU A 58 -7.289 25.105 -11.813 1.00 0.00 C ATOM 803 OE1 GLU A 58 -8.447 25.496 -12.080 1.00 0.00 O ATOM 804 OE2 GLU A 58 -6.249 25.800 -11.866 1.00 0.00 O ATOM 0 H GLU A 58 -9.271 21.741 -10.295 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.420 21.576 -9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.475 23.848 -9.714 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.786 24.070 -9.302 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.109 23.322 -11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.783 23.017 -11.986 1.00 0.00 H new ATOM 811 N PHE A 59 -6.442 22.191 -7.225 1.00 0.00 N ATOM 812 CA PHE A 59 -6.356 22.236 -5.773 1.00 0.00 C ATOM 813 C PHE A 59 -5.083 23.038 -5.504 1.00 0.00 C ATOM 814 O PHE A 59 -3.992 22.553 -5.792 1.00 0.00 O ATOM 815 CB PHE A 59 -6.341 20.844 -5.141 1.00 0.00 C ATOM 816 CG PHE A 59 -6.581 20.939 -3.644 1.00 0.00 C ATOM 817 CD1 PHE A 59 -5.543 21.359 -2.792 1.00 0.00 C ATOM 818 CD2 PHE A 59 -7.844 20.627 -3.098 1.00 0.00 C ATOM 819 CE1 PHE A 59 -5.764 21.469 -1.410 1.00 0.00 C ATOM 820 CE2 PHE A 59 -8.061 20.728 -1.712 1.00 0.00 C ATOM 821 CZ PHE A 59 -7.022 21.154 -0.869 1.00 0.00 C ATOM 0 H PHE A 59 -5.542 22.368 -7.672 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.230 22.701 -5.317 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.109 20.221 -5.600 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.383 20.361 -5.332 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.573 21.598 -3.203 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.647 20.309 -3.747 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.965 21.797 -0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.026 20.478 -1.296 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.190 21.239 0.194 1.00 0.00 H new ATOM 831 N PRO A 60 -5.163 24.247 -4.941 1.00 0.00 N ATOM 832 CA PRO A 60 -3.993 25.066 -4.753 1.00 0.00 C ATOM 833 C PRO A 60 -3.201 24.679 -3.498 1.00 0.00 C ATOM 834 O PRO A 60 -3.780 24.616 -2.414 1.00 0.00 O ATOM 835 CB PRO A 60 -4.555 26.478 -4.733 1.00 0.00 C ATOM 836 CG PRO A 60 -5.882 26.309 -3.989 1.00 0.00 C ATOM 837 CD PRO A 60 -6.339 24.915 -4.426 1.00 0.00 C ATOM 0 HA PRO A 60 -3.247 24.945 -5.539 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.889 27.170 -4.218 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.704 26.868 -5.740 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.751 26.372 -2.909 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.603 27.077 -4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.764 24.364 -3.587 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.115 24.981 -5.189 1.00 0.00 H new ATOM 845 N ILE A 61 -1.885 24.424 -3.625 1.00 0.00 N ATOM 846 CA ILE A 61 -1.046 24.032 -2.498 1.00 0.00 C ATOM 847 C ILE A 61 -0.535 25.214 -1.714 1.00 0.00 C ATOM 848 O ILE A 61 -0.592 26.377 -2.113 1.00 0.00 O ATOM 849 CB ILE A 61 0.061 23.048 -2.887 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.949 22.360 -1.827 1.00 0.00 C ATOM 851 CG2 ILE A 61 0.862 23.520 -4.101 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.405 20.976 -2.295 1.00 0.00 C ATOM 0 H ILE A 61 -1.384 24.486 -4.511 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.698 23.482 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.572 22.196 -3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.820 22.982 -1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.396 22.266 -0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.634 22.787 -4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.195 23.631 -4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.329 24.480 -3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.028 20.519 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.533 20.348 -2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.979 21.074 -3.216 1.00 0.00 H new ATOM 864 N LYS A 62 -0.026 24.788 -0.573 1.00 0.00 N ATOM 865 CA LYS A 62 0.543 25.598 0.496 1.00 0.00 C ATOM 866 C LYS A 62 1.754 24.938 1.156 1.00 0.00 C ATOM 867 O LYS A 62 1.808 23.717 1.303 1.00 0.00 O ATOM 868 CB LYS A 62 -0.531 25.865 1.561 1.00 0.00 C ATOM 869 CG LYS A 62 -1.709 26.723 1.077 1.00 0.00 C ATOM 870 CD LYS A 62 -1.284 28.154 0.721 1.00 0.00 C ATOM 871 CE LYS A 62 -2.499 29.057 0.499 1.00 0.00 C ATOM 872 NZ LYS A 62 -3.347 28.583 -0.607 1.00 0.00 N ATOM 0 H LYS A 62 0.004 23.793 -0.350 1.00 0.00 H new ATOM 0 HA LYS A 62 0.884 26.531 0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.916 24.910 1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.064 26.359 2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.162 26.254 0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.473 26.757 1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.667 28.562 1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.670 28.140 -0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.089 29.101 1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.162 30.072 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.100 29.277 -0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.768 28.468 -1.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.772 27.669 -0.351 1.00 0.00 H new ATOM 886 N SER A 63 2.718 25.778 1.563 1.00 0.00 N ATOM 887 CA SER A 63 3.956 25.390 2.232 1.00 0.00 C ATOM 888 C SER A 63 3.732 25.426 3.745 1.00 0.00 C ATOM 889 O SER A 63 4.429 26.136 4.469 1.00 0.00 O ATOM 890 CB SER A 63 5.078 26.335 1.781 1.00 0.00 C ATOM 891 OG SER A 63 6.319 25.941 2.328 1.00 0.00 O ATOM 0 H SER A 63 2.647 26.786 1.426 1.00 0.00 H new ATOM 0 HA SER A 63 4.251 24.375 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.140 26.339 0.693 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.847 27.354 2.090 1.00 0.00 H new ATOM 0 HG SER A 63 6.270 25.972 3.306 1.00 0.00 H new ATOM 897 N GLY A 64 2.754 24.647 4.218 1.00 0.00 N ATOM 898 CA GLY A 64 2.404 24.575 5.626 1.00 0.00 C ATOM 899 C GLY A 64 1.469 23.398 5.867 1.00 0.00 C ATOM 900 O GLY A 64 1.837 22.447 6.556 1.00 0.00 O ATOM 0 H GLY A 64 2.183 24.047 3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.305 24.464 6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.924 25.502 5.938 1.00 0.00 H new ATOM 904 N GLY A 65 0.262 23.454 5.289 1.00 0.00 N ATOM 905 CA GLY A 65 -0.724 22.396 5.428 1.00 0.00 C ATOM 906 C GLY A 65 -1.880 22.579 4.449 1.00 0.00 C ATOM 907 O GLY A 65 -2.114 23.676 3.946 1.00 0.00 O ATOM 0 H GLY A 65 -0.050 24.237 4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.250 21.430 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.108 22.386 6.448 1.00 0.00 H new ATOM 911 N VAL A 66 -2.601 21.482 4.189 1.00 0.00 N ATOM 912 CA VAL A 66 -3.752 21.443 3.297 1.00 0.00 C ATOM 913 C VAL A 66 -4.956 22.104 3.981 1.00 0.00 C ATOM 914 O VAL A 66 -4.999 22.182 5.208 1.00 0.00 O ATOM 915 CB VAL A 66 -4.025 19.974 2.901 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.494 19.102 4.073 1.00 0.00 C ATOM 917 CG2 VAL A 66 -5.050 19.860 1.770 1.00 0.00 C ATOM 0 H VAL A 66 -2.389 20.576 4.607 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.557 22.004 2.383 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.059 19.602 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.667 18.084 3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.729 19.094 4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.420 19.508 4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.208 18.809 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.993 20.305 2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.680 20.384 0.889 1.00 0.00 H new ATOM 927 N TYR A 67 -5.921 22.590 3.186 1.00 0.00 N ATOM 928 CA TYR A 67 -7.146 23.224 3.665 1.00 0.00 C ATOM 929 C TYR A 67 -6.841 24.550 4.373 1.00 0.00 C ATOM 930 O TYR A 67 -7.194 24.735 5.535 1.00 0.00 O ATOM 931 CB TYR A 67 -7.915 22.207 4.535 1.00 0.00 C ATOM 932 CG TYR A 67 -9.408 22.415 4.733 1.00 0.00 C ATOM 933 CD1 TYR A 67 -9.910 23.286 5.723 1.00 0.00 C ATOM 934 CD2 TYR A 67 -10.308 21.708 3.920 1.00 0.00 C ATOM 935 CE1 TYR A 67 -11.296 23.451 5.883 1.00 0.00 C ATOM 936 CE2 TYR A 67 -11.692 21.861 4.090 1.00 0.00 C ATOM 937 CZ TYR A 67 -12.190 22.737 5.067 1.00 0.00 C ATOM 938 OH TYR A 67 -13.536 22.893 5.221 1.00 0.00 O ATOM 0 H TYR A 67 -5.864 22.549 2.168 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.792 23.498 2.831 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.772 21.219 4.098 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.448 22.191 5.520 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.226 23.828 6.360 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.932 21.041 3.158 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -11.675 24.128 6.634 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -12.376 21.303 3.468 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.945 23.082 4.351 1.00 0.00 H new ATOM 948 N THR A 68 -6.169 25.475 3.676 1.00 0.00 N ATOM 949 CA THR A 68 -5.813 26.796 4.190 1.00 0.00 C ATOM 950 C THR A 68 -5.761 27.798 3.033 1.00 0.00 C ATOM 951 O THR A 68 -5.755 27.407 1.865 1.00 0.00 O ATOM 952 CB THR A 68 -4.481 26.767 4.965 1.00 0.00 C ATOM 953 OG1 THR A 68 -3.450 26.265 4.146 1.00 0.00 O ATOM 954 CG2 THR A 68 -4.539 25.945 6.258 1.00 0.00 C ATOM 0 H THR A 68 -5.853 25.319 2.719 1.00 0.00 H new ATOM 0 HA THR A 68 -6.580 27.110 4.898 1.00 0.00 H new ATOM 0 HB THR A 68 -4.280 27.800 5.250 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.259 25.336 4.393 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.566 25.970 6.749 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.293 26.366 6.923 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.800 24.913 6.022 1.00 0.00 H new ATOM 962 N GLY A 69 -5.729 29.096 3.366 1.00 0.00 N ATOM 963 CA GLY A 69 -5.692 30.194 2.411 1.00 0.00 C ATOM 964 C GLY A 69 -4.843 31.347 2.942 1.00 0.00 C ATOM 965 O GLY A 69 -4.783 31.574 4.151 1.00 0.00 O ATOM 0 H GLY A 69 -5.728 29.412 4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.285 29.843 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.705 30.544 2.213 1.00 0.00 H new ATOM 969 N GLY A 70 -4.183 32.074 2.030 1.00 0.00 N ATOM 970 CA GLY A 70 -3.340 33.215 2.361 1.00 0.00 C ATOM 971 C GLY A 70 -3.203 34.170 1.174 1.00 0.00 C ATOM 972 O GLY A 70 -3.612 33.851 0.056 1.00 0.00 O ATOM 0 H GLY A 70 -4.225 31.878 1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.764 33.748 3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.353 32.865 2.664 1.00 0.00 H new ATOM 976 N SER A 71 -2.618 35.347 1.443 1.00 0.00 N ATOM 977 CA SER A 71 -2.400 36.411 0.473 1.00 0.00 C ATOM 978 C SER A 71 -1.676 35.927 -0.797 1.00 0.00 C ATOM 979 O SER A 71 -2.294 35.951 -1.861 1.00 0.00 O ATOM 980 CB SER A 71 -1.741 37.622 1.154 1.00 0.00 C ATOM 981 OG SER A 71 -1.279 38.551 0.196 1.00 0.00 O ATOM 0 H SER A 71 -2.275 35.584 2.374 1.00 0.00 H new ATOM 0 HA SER A 71 -3.370 36.744 0.105 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.458 38.105 1.818 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.908 37.287 1.773 1.00 0.00 H new ATOM 0 HG SER A 71 -0.865 39.313 0.652 1.00 0.00 H new ATOM 987 N PRO A 72 -0.403 35.493 -0.739 1.00 0.00 N ATOM 988 CA PRO A 72 0.325 35.059 -1.924 1.00 0.00 C ATOM 989 C PRO A 72 -0.191 33.711 -2.438 1.00 0.00 C ATOM 990 O PRO A 72 -0.610 32.861 -1.654 1.00 0.00 O ATOM 991 CB PRO A 72 1.790 34.973 -1.491 1.00 0.00 C ATOM 992 CG PRO A 72 1.688 34.615 -0.010 1.00 0.00 C ATOM 993 CD PRO A 72 0.450 35.393 0.436 1.00 0.00 C ATOM 0 HA PRO A 72 0.193 35.754 -2.753 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.334 34.214 -2.054 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.312 35.918 -1.643 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.569 33.542 0.140 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.578 34.917 0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.063 34.878 1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.722 36.381 0.806 1.00 0.00 H new ATOM 1001 N GLY A 73 -0.153 33.533 -3.765 1.00 0.00 N ATOM 1002 CA GLY A 73 -0.586 32.324 -4.445 1.00 0.00 C ATOM 1003 C GLY A 73 0.096 32.218 -5.810 1.00 0.00 C ATOM 1004 O GLY A 73 0.237 33.219 -6.512 1.00 0.00 O ATOM 0 H GLY A 73 0.190 34.250 -4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.344 31.450 -3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.669 32.335 -4.570 1.00 0.00 H new ATOM 1008 N ALA A 74 0.510 30.998 -6.172 1.00 0.00 N ATOM 1009 CA ALA A 74 1.191 30.673 -7.423 1.00 0.00 C ATOM 1010 C ALA A 74 1.380 29.168 -7.592 1.00 0.00 C ATOM 1011 O ALA A 74 1.352 28.704 -8.726 1.00 0.00 O ATOM 1012 CB ALA A 74 2.566 31.338 -7.523 1.00 0.00 C ATOM 0 H ALA A 74 0.373 30.182 -5.576 1.00 0.00 H new ATOM 0 HA ALA A 74 0.545 31.055 -8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.033 31.067 -8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.451 32.421 -7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.194 31.001 -6.699 1.00 0.00 H new ATOM 1018 N ASP A 75 1.585 28.424 -6.492 1.00 0.00 N ATOM 1019 CA ASP A 75 1.799 26.983 -6.469 1.00 0.00 C ATOM 1020 C ASP A 75 0.473 26.218 -6.386 1.00 0.00 C ATOM 1021 O ASP A 75 -0.280 26.379 -5.424 1.00 0.00 O ATOM 1022 CB ASP A 75 2.666 26.632 -5.255 1.00 0.00 C ATOM 1023 CG ASP A 75 4.040 27.305 -5.264 1.00 0.00 C ATOM 1024 OD1 ASP A 75 4.082 28.532 -5.030 1.00 0.00 O ATOM 1025 OD2 ASP A 75 5.027 26.575 -5.497 1.00 0.00 O ATOM 0 H ASP A 75 1.605 28.836 -5.559 1.00 0.00 H new ATOM 0 HA ASP A 75 2.296 26.692 -7.394 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.137 26.919 -4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.801 25.551 -5.217 1.00 0.00 H new ATOM 1030 N ARG A 76 0.196 25.372 -7.389 1.00 0.00 N ATOM 1031 CA ARG A 76 -1.034 24.596 -7.448 1.00 0.00 C ATOM 1032 C ARG A 76 -0.815 23.164 -7.924 1.00 0.00 C ATOM 1033 O ARG A 76 -0.163 22.951 -8.946 1.00 0.00 O ATOM 1034 CB ARG A 76 -2.033 25.246 -8.415 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.401 26.698 -8.099 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.543 27.104 -9.037 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.932 28.508 -8.863 1.00 0.00 N ATOM 1038 CZ ARG A 76 -4.941 29.092 -9.532 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -5.683 28.394 -10.407 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -5.214 30.388 -9.326 1.00 0.00 N ATOM 0 H ARG A 76 0.823 25.212 -8.178 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.416 24.576 -6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.618 25.205 -9.422 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.946 24.651 -8.422 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.708 26.797 -7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.539 27.350 -8.241 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.238 26.939 -10.070 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.406 26.464 -8.853 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.407 29.073 -8.196 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.484 27.407 -10.571 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.446 28.851 -10.907 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.657 30.928 -8.663 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.979 30.835 -9.832 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.366 22.192 -7.180 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.306 20.777 -7.530 1.00 0.00 C ATOM 1056 C VAL A 77 -2.626 20.492 -8.240 1.00 0.00 C ATOM 1057 O VAL A 77 -3.650 21.095 -7.923 1.00 0.00 O ATOM 1058 CB VAL A 77 -1.056 19.838 -6.342 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.351 20.040 -5.769 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.104 19.953 -5.232 1.00 0.00 C ATOM 0 H VAL A 77 -1.869 22.375 -6.312 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.444 20.578 -8.166 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.143 18.828 -6.743 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.502 19.363 -4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.092 19.831 -6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.461 21.070 -5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.860 19.259 -4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.112 20.971 -4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.088 19.711 -5.634 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.619 19.568 -9.196 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.808 19.257 -9.975 1.00 0.00 C ATOM 1072 C VAL A 78 -3.918 17.736 -10.111 1.00 0.00 C ATOM 1073 O VAL A 78 -2.911 17.069 -10.342 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.696 20.071 -11.282 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.845 19.824 -12.267 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.620 21.584 -10.952 1.00 0.00 C ATOM 0 H VAL A 78 -1.797 19.020 -9.449 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.752 19.548 -9.513 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.784 19.732 -11.774 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.696 20.431 -13.160 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.866 18.770 -12.544 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.791 20.095 -11.798 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.541 22.155 -11.877 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.520 21.885 -10.416 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.746 21.777 -10.331 1.00 0.00 H new ATOM 1086 N ILE A 79 -5.142 17.204 -9.951 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.454 15.777 -10.006 1.00 0.00 C ATOM 1088 C ILE A 79 -6.405 15.419 -11.150 1.00 0.00 C ATOM 1089 O ILE A 79 -6.890 16.292 -11.862 1.00 0.00 O ATOM 1090 CB ILE A 79 -6.036 15.306 -8.654 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.488 15.758 -8.398 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -5.154 15.729 -7.474 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -8.122 14.908 -7.291 1.00 0.00 C ATOM 0 H ILE A 79 -5.965 17.780 -9.774 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.518 15.255 -10.203 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.049 14.219 -8.730 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.504 16.810 -8.112 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.071 15.668 -9.314 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.599 15.378 -6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.161 15.294 -7.588 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.074 16.816 -7.451 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.147 15.238 -7.121 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.123 13.860 -7.592 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.547 15.020 -6.372 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.663 14.114 -11.294 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.542 13.474 -12.262 1.00 0.00 C ATOM 1107 C ASN A 80 -8.880 13.226 -11.563 1.00 0.00 C ATOM 1108 O ASN A 80 -8.947 13.265 -10.333 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.929 12.142 -12.711 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.581 12.325 -13.407 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -4.531 12.220 -12.778 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -5.605 12.589 -14.714 1.00 0.00 N ATOM 0 H ASN A 80 -6.222 13.427 -10.682 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.679 14.102 -13.142 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.802 11.493 -11.844 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.619 11.638 -13.388 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.731 12.711 -15.226 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.497 12.669 -15.202 1.00 0.00 H new ATOM 1119 N THR A 81 -9.946 12.959 -12.332 1.00 0.00 N ATOM 1120 CA THR A 81 -11.277 12.735 -11.772 1.00 0.00 C ATOM 1121 C THR A 81 -11.507 11.428 -11.042 1.00 0.00 C ATOM 1122 O THR A 81 -12.626 11.160 -10.602 1.00 0.00 O ATOM 1123 CB THR A 81 -12.383 13.109 -12.765 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.660 13.135 -12.164 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.404 12.096 -13.904 1.00 0.00 C ATOM 0 H THR A 81 -9.906 12.894 -13.349 1.00 0.00 H new ATOM 0 HA THR A 81 -11.334 13.439 -10.942 1.00 0.00 H new ATOM 0 HB THR A 81 -12.161 14.111 -13.133 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.668 12.537 -11.388 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.190 12.360 -14.611 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.440 12.101 -14.414 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.597 11.101 -13.503 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.460 10.623 -10.903 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.572 9.399 -10.165 1.00 0.00 C ATOM 1135 C ASN A 82 -10.113 9.909 -8.800 1.00 0.00 C ATOM 1136 O ASN A 82 -10.921 10.315 -7.973 1.00 0.00 O ATOM 1137 CB ASN A 82 -9.702 8.303 -10.803 1.00 0.00 C ATOM 1138 CG ASN A 82 -10.280 7.786 -12.121 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -10.913 8.532 -12.868 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -10.057 6.503 -12.418 1.00 0.00 N ATOM 0 H ASN A 82 -9.536 10.806 -11.294 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.545 8.910 -10.128 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.701 8.696 -10.979 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.600 7.472 -10.104 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -10.416 6.111 -13.289 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -9.528 5.915 -11.774 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.801 9.884 -8.603 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.056 10.294 -7.413 1.00 0.00 C ATOM 1149 C CYS A 83 -6.549 10.487 -7.651 1.00 0.00 C ATOM 1150 O CYS A 83 -5.856 10.945 -6.744 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.342 9.350 -6.237 1.00 0.00 C ATOM 1152 SG CYS A 83 -9.703 9.892 -5.158 1.00 0.00 S ATOM 0 H CYS A 83 -8.174 9.547 -9.334 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.423 11.287 -7.152 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.576 8.360 -6.629 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.437 9.249 -5.638 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.029 10.166 -8.846 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.608 10.228 -9.146 1.00 0.00 C ATOM 1159 C GLU A 84 -4.103 11.629 -9.447 1.00 0.00 C ATOM 1160 O GLU A 84 -4.830 12.459 -9.973 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.303 9.300 -10.335 1.00 0.00 C ATOM 1162 CG GLU A 84 -4.608 7.821 -10.041 1.00 0.00 C ATOM 1163 CD GLU A 84 -6.088 7.467 -10.179 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -6.528 7.323 -11.341 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -6.752 7.340 -9.127 1.00 0.00 O ATOM 0 H GLU A 84 -6.598 9.854 -9.633 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.083 9.903 -8.248 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.887 9.621 -11.197 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.252 9.401 -10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.028 7.196 -10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.278 7.584 -9.030 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.837 11.875 -9.100 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.142 13.133 -9.314 1.00 0.00 C ATOM 1174 C TYR A 85 -1.877 13.271 -10.819 1.00 0.00 C ATOM 1175 O TYR A 85 -1.370 12.345 -11.451 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.886 13.118 -8.421 1.00 0.00 C ATOM 1177 CG TYR A 85 0.235 14.098 -8.731 1.00 0.00 C ATOM 1178 CD1 TYR A 85 1.046 13.888 -9.862 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.485 15.208 -7.897 1.00 0.00 C ATOM 1180 CE1 TYR A 85 2.088 14.775 -10.165 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.522 16.105 -8.212 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.324 15.892 -9.346 1.00 0.00 C ATOM 1183 OH TYR A 85 3.334 16.759 -9.647 1.00 0.00 O ATOM 0 H TYR A 85 -2.252 11.173 -8.646 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.714 14.016 -9.028 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.207 13.295 -7.394 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.467 12.113 -8.455 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.864 13.037 -10.501 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.120 15.369 -7.017 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.711 14.600 -11.030 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.703 16.961 -7.579 1.00 0.00 H new ATOM 0 HH TYR A 85 3.705 16.536 -10.526 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.237 14.429 -11.390 1.00 0.00 N ATOM 1194 CA ALA A 86 -2.080 14.747 -12.804 1.00 0.00 C ATOM 1195 C ALA A 86 -0.744 15.461 -13.007 1.00 0.00 C ATOM 1196 O ALA A 86 0.053 15.058 -13.851 1.00 0.00 O ATOM 1197 CB ALA A 86 -3.259 15.601 -13.283 1.00 0.00 C ATOM 0 H ALA A 86 -2.658 15.190 -10.858 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.077 13.833 -13.398 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.134 15.834 -14.340 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.189 15.050 -13.141 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.294 16.527 -12.709 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.504 16.517 -12.220 1.00 0.00 N ATOM 1204 CA GLY A 87 0.720 17.296 -12.277 1.00 0.00 C ATOM 1205 C GLY A 87 0.742 18.339 -11.162 1.00 0.00 C ATOM 1206 O GLY A 87 -0.052 18.277 -10.224 1.00 0.00 O ATOM 0 H GLY A 87 -1.167 16.851 -11.521 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.583 16.636 -12.183 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.800 17.789 -13.246 1.00 0.00 H new ATOM 1210 N ALA A 88 1.671 19.294 -11.271 1.00 0.00 N ATOM 1211 CA ALA A 88 1.838 20.378 -10.319 1.00 0.00 C ATOM 1212 C ALA A 88 2.517 21.548 -11.021 1.00 0.00 C ATOM 1213 O ALA A 88 3.656 21.426 -11.462 1.00 0.00 O ATOM 1214 CB ALA A 88 2.653 19.899 -9.118 1.00 0.00 C ATOM 0 H ALA A 88 2.338 19.329 -12.042 1.00 0.00 H new ATOM 0 HA ALA A 88 0.867 20.706 -9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.773 20.719 -8.410 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.134 19.073 -8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.634 19.564 -9.454 1.00 0.00 H new ATOM 1220 N ILE A 89 1.810 22.680 -11.109 1.00 0.00 N ATOM 1221 CA ILE A 89 2.270 23.900 -11.763 1.00 0.00 C ATOM 1222 C ILE A 89 2.598 24.979 -10.725 1.00 0.00 C ATOM 1223 O ILE A 89 2.140 24.892 -9.586 1.00 0.00 O ATOM 1224 CB ILE A 89 1.232 24.338 -12.811 1.00 0.00 C ATOM 1225 CG1 ILE A 89 -0.157 24.572 -12.188 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.168 23.282 -13.921 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -1.158 25.171 -13.181 1.00 0.00 C ATOM 0 H ILE A 89 0.874 22.770 -10.714 1.00 0.00 H new ATOM 0 HA ILE A 89 3.202 23.717 -12.297 1.00 0.00 H new ATOM 0 HB ILE A 89 1.545 25.294 -13.232 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.546 23.626 -11.813 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.059 25.239 -11.331 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.435 23.584 -14.669 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.147 23.188 -14.391 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.877 22.322 -13.494 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.119 25.314 -12.687 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.786 26.132 -13.537 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.282 24.494 -14.026 1.00 0.00 H new ATOM 1239 N THR A 90 3.397 25.988 -11.107 1.00 0.00 N ATOM 1240 CA THR A 90 3.800 27.057 -10.201 1.00 0.00 C ATOM 1241 C THR A 90 4.283 28.330 -10.897 1.00 0.00 C ATOM 1242 O THR A 90 4.831 28.257 -11.996 1.00 0.00 O ATOM 1243 CB THR A 90 4.941 26.547 -9.306 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.214 27.492 -8.291 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.228 26.280 -10.108 1.00 0.00 C ATOM 0 H THR A 90 3.776 26.079 -12.049 1.00 0.00 H new ATOM 0 HA THR A 90 2.907 27.323 -9.636 1.00 0.00 H new ATOM 0 HB THR A 90 4.614 25.604 -8.867 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.211 27.045 -7.419 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.008 25.921 -9.436 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.032 25.527 -10.871 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.557 27.203 -10.586 1.00 0.00 H new ATOM 1253 N HIS A 91 4.063 29.496 -10.258 1.00 0.00 N ATOM 1254 CA HIS A 91 4.577 30.755 -10.817 1.00 0.00 C ATOM 1255 C HIS A 91 6.068 30.909 -10.490 1.00 0.00 C ATOM 1256 O HIS A 91 6.821 31.435 -11.306 1.00 0.00 O ATOM 1257 CB HIS A 91 3.924 32.079 -10.392 1.00 0.00 C ATOM 1258 CG HIS A 91 2.451 32.225 -10.656 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.753 33.387 -10.370 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.525 31.371 -11.190 1.00 0.00 C ATOM 1261 CE1 HIS A 91 0.476 33.185 -10.741 1.00 0.00 C ATOM 1262 NE2 HIS A 91 0.271 31.968 -11.244 1.00 0.00 N ATOM 0 H HIS A 91 3.549 29.590 -9.382 1.00 0.00 H new ATOM 0 HA HIS A 91 4.338 30.626 -11.873 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.092 32.213 -9.323 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.442 32.892 -10.901 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.740 30.367 -11.525 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.300 33.929 -10.642 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.602 31.568 -11.588 1.00 0.00 H new ATOM 1270 N THR A 92 6.467 30.457 -9.289 1.00 0.00 N ATOM 1271 CA THR A 92 7.802 30.500 -8.700 1.00 0.00 C ATOM 1272 C THR A 92 8.954 30.349 -9.692 1.00 0.00 C ATOM 1273 O THR A 92 9.803 31.231 -9.804 1.00 0.00 O ATOM 1274 CB THR A 92 7.899 29.456 -7.575 1.00 0.00 C ATOM 1275 OG1 THR A 92 6.802 29.581 -6.691 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.194 29.622 -6.772 1.00 0.00 C ATOM 0 H THR A 92 5.800 30.015 -8.656 1.00 0.00 H new ATOM 0 HA THR A 92 7.923 31.506 -8.299 1.00 0.00 H new ATOM 0 HB THR A 92 7.892 28.472 -8.044 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.081 28.982 -6.977 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.233 28.869 -5.984 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.051 29.499 -7.434 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.220 30.616 -6.326 1.00 0.00 H new ATOM 1284 N GLY A 93 8.969 29.226 -10.408 1.00 0.00 N ATOM 1285 CA GLY A 93 9.990 28.886 -11.387 1.00 0.00 C ATOM 1286 C GLY A 93 10.047 29.884 -12.547 1.00 0.00 C ATOM 1287 O GLY A 93 11.130 30.189 -13.042 1.00 0.00 O ATOM 0 H GLY A 93 8.249 28.510 -10.317 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.962 28.850 -10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.794 27.888 -11.780 1.00 0.00 H new ATOM 1291 N ALA A 94 8.881 30.395 -12.965 1.00 0.00 N ATOM 1292 CA ALA A 94 8.731 31.345 -14.059 1.00 0.00 C ATOM 1293 C ALA A 94 9.027 32.780 -13.599 1.00 0.00 C ATOM 1294 O ALA A 94 9.680 32.983 -12.576 1.00 0.00 O ATOM 1295 CB ALA A 94 7.310 31.226 -14.615 1.00 0.00 C ATOM 0 H ALA A 94 7.992 30.146 -12.532 1.00 0.00 H new ATOM 0 HA ALA A 94 9.452 31.112 -14.842 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.180 31.931 -15.436 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.145 30.212 -14.978 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.591 31.450 -13.827 1.00 0.00 H new ATOM 1301 N SER A 95 8.535 33.776 -14.354 1.00 0.00 N ATOM 1302 CA SER A 95 8.739 35.186 -14.060 1.00 0.00 C ATOM 1303 C SER A 95 7.765 35.688 -12.988 1.00 0.00 C ATOM 1304 O SER A 95 8.144 35.767 -11.822 1.00 0.00 O ATOM 1305 CB SER A 95 8.665 35.997 -15.362 1.00 0.00 C ATOM 1306 OG SER A 95 8.811 37.380 -15.103 1.00 0.00 O ATOM 0 H SER A 95 7.979 33.613 -15.193 1.00 0.00 H new ATOM 0 HA SER A 95 9.734 35.323 -13.637 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.446 35.666 -16.046 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.711 35.814 -15.856 1.00 0.00 H new ATOM 0 HG SER A 95 8.763 37.878 -15.946 1.00 0.00 H new ATOM 1312 N GLY A 96 6.522 36.019 -13.374 1.00 0.00 N ATOM 1313 CA GLY A 96 5.499 36.540 -12.474 1.00 0.00 C ATOM 1314 C GLY A 96 4.149 35.865 -12.699 1.00 0.00 C ATOM 1315 O GLY A 96 3.763 34.994 -11.926 1.00 0.00 O ATOM 0 H GLY A 96 6.202 35.928 -14.338 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.813 36.390 -11.441 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.397 37.615 -12.623 1.00 0.00 H new ATOM 1319 N ASN A 97 3.422 36.271 -13.746 1.00 0.00 N ATOM 1320 CA ASN A 97 2.115 35.712 -14.080 1.00 0.00 C ATOM 1321 C ASN A 97 2.247 34.376 -14.815 1.00 0.00 C ATOM 1322 O ASN A 97 1.348 33.540 -14.731 1.00 0.00 O ATOM 1323 CB ASN A 97 1.280 36.727 -14.879 1.00 0.00 C ATOM 1324 CG ASN A 97 1.960 37.306 -16.126 1.00 0.00 C ATOM 1325 OD1 ASN A 97 3.049 36.891 -16.519 1.00 0.00 O ATOM 1326 ND2 ASN A 97 1.306 38.290 -16.749 1.00 0.00 N ATOM 0 H ASN A 97 3.730 37.002 -14.387 1.00 0.00 H new ATOM 0 HA ASN A 97 1.586 35.507 -13.149 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.350 36.246 -15.184 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.011 37.551 -14.218 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.708 38.723 -17.580 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.404 38.608 -16.394 1.00 0.00 H new ATOM 1333 N ASN A 98 3.366 34.175 -15.525 1.00 0.00 N ATOM 1334 CA ASN A 98 3.672 32.968 -16.273 1.00 0.00 C ATOM 1335 C ASN A 98 3.697 31.752 -15.339 1.00 0.00 C ATOM 1336 O ASN A 98 3.984 31.880 -14.150 1.00 0.00 O ATOM 1337 CB ASN A 98 5.015 33.183 -16.983 1.00 0.00 C ATOM 1338 CG ASN A 98 5.371 32.083 -17.986 1.00 0.00 C ATOM 1339 OD1 ASN A 98 4.496 31.414 -18.534 1.00 0.00 O ATOM 1340 ND2 ASN A 98 6.672 31.903 -18.234 1.00 0.00 N ATOM 0 H ASN A 98 4.102 34.878 -15.590 1.00 0.00 H new ATOM 0 HA ASN A 98 2.903 32.767 -17.019 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.990 34.141 -17.503 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.804 33.247 -16.234 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.970 31.190 -18.899 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.366 32.479 -17.758 1.00 0.00 H new ATOM 1347 N PHE A 99 3.385 30.578 -15.898 1.00 0.00 N ATOM 1348 CA PHE A 99 3.325 29.298 -15.203 1.00 0.00 C ATOM 1349 C PHE A 99 4.319 28.315 -15.826 1.00 0.00 C ATOM 1350 O PHE A 99 4.618 28.394 -17.017 1.00 0.00 O ATOM 1351 CB PHE A 99 1.901 28.724 -15.347 1.00 0.00 C ATOM 1352 CG PHE A 99 1.019 28.821 -14.119 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.338 28.054 -12.985 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.116 29.651 -14.104 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.529 28.114 -11.838 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -0.926 29.713 -12.955 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.604 28.947 -11.820 1.00 0.00 C ATOM 0 H PHE A 99 3.159 30.496 -16.889 1.00 0.00 H new ATOM 0 HA PHE A 99 3.575 29.445 -14.152 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.404 29.240 -16.169 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.981 27.675 -15.631 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.209 27.416 -12.996 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.366 30.240 -14.974 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.777 27.521 -10.970 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.798 30.351 -12.945 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.225 28.998 -10.938 1.00 0.00 H new ATOM 1367 N VAL A 100 4.815 27.383 -15.002 1.00 0.00 N ATOM 1368 CA VAL A 100 5.749 26.321 -15.371 1.00 0.00 C ATOM 1369 C VAL A 100 5.451 25.100 -14.504 1.00 0.00 C ATOM 1370 O VAL A 100 4.745 25.202 -13.505 1.00 0.00 O ATOM 1371 CB VAL A 100 7.223 26.744 -15.238 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.624 27.711 -16.355 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.556 27.305 -13.851 1.00 0.00 C ATOM 0 H VAL A 100 4.562 27.351 -14.014 1.00 0.00 H new ATOM 0 HA VAL A 100 5.605 26.086 -16.426 1.00 0.00 H new ATOM 0 HB VAL A 100 7.821 25.840 -15.349 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.670 27.992 -16.235 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.487 27.227 -17.322 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.000 28.604 -16.305 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.608 27.587 -13.815 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.939 28.182 -13.655 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.358 26.546 -13.094 1.00 0.00 H new ATOM 1383 N GLY A 101 6.003 23.943 -14.884 1.00 0.00 N ATOM 1384 CA GLY A 101 5.797 22.687 -14.182 1.00 0.00 C ATOM 1385 C GLY A 101 6.832 22.449 -13.084 1.00 0.00 C ATOM 1386 O GLY A 101 7.928 23.007 -13.127 1.00 0.00 O ATOM 0 H GLY A 101 6.611 23.859 -15.698 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.799 22.680 -13.743 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.836 21.865 -14.897 1.00 0.00 H new ATOM 1390 N CYS A 102 6.462 21.622 -12.097 1.00 0.00 N ATOM 1391 CA CYS A 102 7.302 21.232 -10.969 1.00 0.00 C ATOM 1392 C CYS A 102 7.783 19.797 -11.203 1.00 0.00 C ATOM 1393 O CYS A 102 7.627 19.263 -12.302 1.00 0.00 O ATOM 1394 CB CYS A 102 6.533 21.376 -9.644 1.00 0.00 C ATOM 1395 SG CYS A 102 5.642 22.941 -9.406 1.00 0.00 S ATOM 0 H CYS A 102 5.537 21.194 -12.066 1.00 0.00 H new ATOM 0 HA CYS A 102 8.169 21.888 -10.895 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.816 20.558 -9.572 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.239 21.254 -8.822 1.00 0.00 H new ATOM 1400 N SER A 103 8.382 19.173 -10.179 1.00 0.00 N ATOM 1401 CA SER A 103 8.864 17.802 -10.272 1.00 0.00 C ATOM 1402 C SER A 103 7.693 16.857 -10.560 1.00 0.00 C ATOM 1403 O SER A 103 6.797 16.700 -9.730 1.00 0.00 O ATOM 1404 CB SER A 103 9.600 17.405 -8.988 1.00 0.00 C ATOM 1405 OG SER A 103 10.077 16.083 -9.099 1.00 0.00 O ATOM 0 H SER A 103 8.542 19.608 -9.270 1.00 0.00 H new ATOM 0 HA SER A 103 9.574 17.726 -11.096 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.431 18.087 -8.809 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.929 17.488 -8.133 1.00 0.00 H new ATOM 0 HG SER A 103 10.548 15.835 -8.276 1.00 0.00 H new ATOM 1411 N GLY A 104 7.708 16.242 -11.748 1.00 0.00 N ATOM 1412 CA GLY A 104 6.679 15.325 -12.206 1.00 0.00 C ATOM 1413 C GLY A 104 5.513 16.100 -12.813 1.00 0.00 C ATOM 1414 O GLY A 104 4.390 16.008 -12.321 1.00 0.00 O ATOM 0 H GLY A 104 8.457 16.377 -12.427 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.095 14.641 -12.946 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.326 14.717 -11.373 1.00 0.00 H new ATOM 1418 N THR A 105 5.784 16.869 -13.877 1.00 0.00 N ATOM 1419 CA THR A 105 4.787 17.665 -14.582 1.00 0.00 C ATOM 1420 C THR A 105 5.263 17.878 -16.021 1.00 0.00 C ATOM 1421 O THR A 105 6.338 18.436 -16.234 1.00 0.00 O ATOM 1422 CB THR A 105 4.574 19.016 -13.878 1.00 0.00 C ATOM 1423 OG1 THR A 105 4.358 18.843 -12.493 1.00 0.00 O ATOM 1424 CG2 THR A 105 3.374 19.759 -14.475 1.00 0.00 C ATOM 0 H THR A 105 6.720 16.952 -14.273 1.00 0.00 H new ATOM 0 HA THR A 105 3.832 17.139 -14.583 1.00 0.00 H new ATOM 0 HB THR A 105 5.480 19.602 -14.030 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.241 19.718 -12.068 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.243 20.711 -13.961 1.00 0.00 H new ATOM 0 HG22 THR A 105 3.549 19.940 -15.536 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.475 19.155 -14.354 1.00 0.00 H new ATOM 1432 N ASN A 106 4.463 17.435 -17.000 1.00 0.00 N ATOM 1433 CA ASN A 106 4.767 17.574 -18.418 1.00 0.00 C ATOM 1434 C ASN A 106 3.467 17.442 -19.215 1.00 0.00 C ATOM 1435 O ASN A 106 2.917 16.319 -19.228 1.00 0.00 O ATOM 1436 CB ASN A 106 5.816 16.533 -18.846 1.00 0.00 C ATOM 1437 CG ASN A 106 6.279 16.699 -20.294 1.00 0.00 C ATOM 1438 OD1 ASN A 106 5.955 17.681 -20.960 1.00 0.00 O ATOM 1439 ND2 ASN A 106 7.057 15.731 -20.786 1.00 0.00 N ATOM 1440 OXT ASN A 106 2.976 18.494 -19.680 1.00 0.00 O ATOM 0 H ASN A 106 3.576 16.965 -16.820 1.00 0.00 H new ATOM 0 HA ASN A 106 5.197 18.555 -18.617 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.680 16.605 -18.185 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.399 15.534 -18.718 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.403 15.792 -21.744 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.305 14.931 -20.204 1.00 0.00 H new