USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=32 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 5 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 SER OG : rot 73:sc= 0.682 USER MOD Set 2.1: A 90 THR OG1 : rot 135:sc= 1.23 USER MOD Set 2.2: A 92 THR OG1 : rot 89:sc= 0.909 USER MOD Set 3.1: A 67 TYR OH : rot 180:sc= 0.206 USER MOD Set 3.2: A 71 SER OG : rot 157:sc= 0.214 USER MOD Set 4.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 57 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.2) USER MOD Set 5.1: A 14 SER OG : rot 69:sc= 0.311 USER MOD Set 5.2: A 15 GLN : amide:sc= 0.199 K(o=0.51,f=-0.089) USER MOD Single : A 2 SER OG : rot 35:sc= 0.0405 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -113:sc= 0.156 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot -141:sc= -0.732 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.023) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 46:sc= 0.296 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 37 THR OG1 : rot -54:sc= 0.214 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.391 F(o=-1.4,f=-0.39) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0815 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0.087) USER MOD Single : A 44 ASN : amide:sc= -0.0209 K(o=-0.021,f=-1.8) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -7:sc= 0.569 USER MOD Single : A 62 LYS NZ :NH3+ 173:sc= -0.136 (180deg=-0.237) USER MOD Single : A 63 SER OG : rot -59:sc= 0.0834 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.1 K(o=-0.1,f=-9.2!) USER MOD Single : A 81 THR OG1 : rot -44:sc= 0.41 USER MOD Single : A 82 ASN : amide:sc= 0.0116 X(o=0.012,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.244 USER MOD Single : A 91 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-4!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.049) USER MOD Single : A 98 ASN : amide:sc= -0.542 K(o=-0.54,f=-2.4!) USER MOD Single : A 105 THR OG1 : rot 130:sc= 0.00136 USER MOD Single : A 106 ASN : amide:sc= -0.0533 X(o=-0.053,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 5.583 12.254 -6.274 1.00 0.00 N ATOM 16 CA SER A 2 7.007 12.545 -6.235 1.00 0.00 C ATOM 17 C SER A 2 7.224 13.956 -5.695 1.00 0.00 C ATOM 18 O SER A 2 6.482 14.871 -6.046 1.00 0.00 O ATOM 19 CB SER A 2 7.604 12.417 -7.642 1.00 0.00 C ATOM 20 OG SER A 2 7.498 11.089 -8.108 1.00 0.00 O ATOM 0 HA SER A 2 7.505 11.832 -5.578 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.086 13.090 -8.325 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.651 12.721 -7.628 1.00 0.00 H new ATOM 0 HG SER A 2 6.664 10.693 -7.780 1.00 0.00 H new ATOM 26 N ALA A 3 8.246 14.115 -4.842 1.00 0.00 N ATOM 27 CA ALA A 3 8.630 15.367 -4.205 1.00 0.00 C ATOM 28 C ALA A 3 8.763 16.496 -5.227 1.00 0.00 C ATOM 29 O ALA A 3 9.327 16.300 -6.303 1.00 0.00 O ATOM 30 CB ALA A 3 9.936 15.164 -3.433 1.00 0.00 C ATOM 0 H ALA A 3 8.848 13.338 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 3 7.846 15.661 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.226 16.100 -2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.793 14.397 -2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.721 14.850 -4.121 1.00 0.00 H new ATOM 36 N THR A 4 8.233 17.671 -4.870 1.00 0.00 N ATOM 37 CA THR A 4 8.229 18.869 -5.695 1.00 0.00 C ATOM 38 C THR A 4 9.268 19.875 -5.218 1.00 0.00 C ATOM 39 O THR A 4 9.599 19.927 -4.037 1.00 0.00 O ATOM 40 CB THR A 4 6.853 19.545 -5.594 1.00 0.00 C ATOM 41 OG1 THR A 4 6.504 19.714 -4.235 1.00 0.00 O ATOM 42 CG2 THR A 4 5.771 18.741 -6.314 1.00 0.00 C ATOM 0 H THR A 4 7.781 17.812 -3.966 1.00 0.00 H new ATOM 0 HA THR A 4 8.457 18.570 -6.718 1.00 0.00 H new ATOM 0 HB THR A 4 6.921 20.517 -6.082 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.627 20.147 -4.174 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.813 19.253 -6.219 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.029 18.647 -7.369 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.698 17.749 -5.869 1.00 0.00 H new ATOM 50 N THR A 5 9.787 20.660 -6.161 1.00 0.00 N ATOM 51 CA THR A 5 10.718 21.726 -6.008 1.00 0.00 C ATOM 52 C THR A 5 9.994 22.746 -6.884 1.00 0.00 C ATOM 53 O THR A 5 10.127 22.721 -8.108 1.00 0.00 O ATOM 54 CB THR A 5 12.078 21.248 -6.509 1.00 0.00 C ATOM 55 OG1 THR A 5 12.729 20.505 -5.498 1.00 0.00 O ATOM 56 CG2 THR A 5 12.879 22.471 -6.888 1.00 0.00 C ATOM 0 H THR A 5 9.526 20.535 -7.139 1.00 0.00 H new ATOM 0 HA THR A 5 10.951 22.113 -5.016 1.00 0.00 H new ATOM 0 HB THR A 5 11.969 20.595 -7.375 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.600 20.200 -5.826 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.860 22.165 -7.252 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.356 23.020 -7.672 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.999 23.112 -6.015 1.00 0.00 H new ATOM 64 N CYS A 6 9.214 23.634 -6.254 1.00 0.00 N ATOM 65 CA CYS A 6 8.426 24.616 -6.972 1.00 0.00 C ATOM 66 C CYS A 6 9.153 25.956 -7.024 1.00 0.00 C ATOM 67 O CYS A 6 8.930 26.838 -6.201 1.00 0.00 O ATOM 68 CB CYS A 6 7.011 24.641 -6.379 1.00 0.00 C ATOM 69 SG CYS A 6 5.973 23.190 -6.766 1.00 0.00 S ATOM 0 H CYS A 6 9.119 23.684 -5.240 1.00 0.00 H new ATOM 0 HA CYS A 6 8.305 24.347 -8.021 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.091 24.730 -5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.502 25.536 -6.736 1.00 0.00 H new ATOM 74 N GLY A 7 10.027 26.086 -8.031 1.00 0.00 N ATOM 75 CA GLY A 7 10.842 27.265 -8.255 1.00 0.00 C ATOM 76 C GLY A 7 12.034 27.204 -7.309 1.00 0.00 C ATOM 77 O GLY A 7 13.028 26.547 -7.615 1.00 0.00 O ATOM 0 H GLY A 7 10.183 25.352 -8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.180 27.303 -9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.260 28.169 -8.076 1.00 0.00 H new ATOM 81 N SER A 8 11.918 27.881 -6.162 1.00 0.00 N ATOM 82 CA SER A 8 12.942 27.928 -5.129 1.00 0.00 C ATOM 83 C SER A 8 12.543 27.048 -3.947 1.00 0.00 C ATOM 84 O SER A 8 13.402 26.406 -3.343 1.00 0.00 O ATOM 85 CB SER A 8 13.160 29.371 -4.670 1.00 0.00 C ATOM 86 OG SER A 8 13.581 30.167 -5.755 1.00 0.00 O ATOM 0 H SER A 8 11.087 28.423 -5.926 1.00 0.00 H new ATOM 0 HA SER A 8 13.876 27.548 -5.543 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.236 29.771 -4.252 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.907 29.399 -3.877 1.00 0.00 H new ATOM 0 HG SER A 8 13.716 31.089 -5.451 1.00 0.00 H new ATOM 92 N THR A 9 11.243 27.011 -3.621 1.00 0.00 N ATOM 93 CA THR A 9 10.731 26.224 -2.508 1.00 0.00 C ATOM 94 C THR A 9 10.773 24.739 -2.863 1.00 0.00 C ATOM 95 O THR A 9 10.988 24.386 -4.024 1.00 0.00 O ATOM 96 CB THR A 9 9.314 26.701 -2.150 1.00 0.00 C ATOM 97 OG1 THR A 9 9.072 26.515 -0.771 1.00 0.00 O ATOM 98 CG2 THR A 9 8.207 26.011 -2.950 1.00 0.00 C ATOM 0 H THR A 9 10.523 27.528 -4.126 1.00 0.00 H new ATOM 0 HA THR A 9 11.357 26.364 -1.627 1.00 0.00 H new ATOM 0 HB THR A 9 9.282 27.759 -2.411 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.377 25.835 -0.650 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.237 26.401 -2.640 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.353 26.203 -4.013 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.241 24.937 -2.767 1.00 0.00 H new ATOM 106 N ASN A 10 10.571 23.870 -1.867 1.00 0.00 N ATOM 107 CA ASN A 10 10.573 22.432 -2.084 1.00 0.00 C ATOM 108 C ASN A 10 9.787 21.718 -0.993 1.00 0.00 C ATOM 109 O ASN A 10 9.974 21.996 0.192 1.00 0.00 O ATOM 110 CB ASN A 10 12.007 21.897 -2.203 1.00 0.00 C ATOM 111 CG ASN A 10 12.835 22.180 -0.951 1.00 0.00 C ATOM 112 OD1 ASN A 10 13.423 23.253 -0.828 1.00 0.00 O ATOM 113 ND2 ASN A 10 12.886 21.220 -0.022 1.00 0.00 N ATOM 0 H ASN A 10 10.404 24.147 -0.900 1.00 0.00 H new ATOM 0 HA ASN A 10 10.073 22.226 -3.030 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.978 20.822 -2.382 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.492 22.351 -3.067 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.428 21.363 0.830 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.382 20.345 -0.165 1.00 0.00 H new ATOM 120 N TYR A 11 8.907 20.802 -1.416 1.00 0.00 N ATOM 121 CA TYR A 11 8.050 20.010 -0.549 1.00 0.00 C ATOM 122 C TYR A 11 8.276 18.522 -0.811 1.00 0.00 C ATOM 123 O TYR A 11 8.748 18.124 -1.876 1.00 0.00 O ATOM 124 CB TYR A 11 6.564 20.357 -0.765 1.00 0.00 C ATOM 125 CG TYR A 11 6.230 21.820 -0.993 1.00 0.00 C ATOM 126 CD1 TYR A 11 6.818 22.809 -0.185 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.323 22.199 -2.006 1.00 0.00 C ATOM 128 CE1 TYR A 11 6.513 24.162 -0.392 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.015 23.557 -2.206 1.00 0.00 C ATOM 130 CZ TYR A 11 5.603 24.536 -1.396 1.00 0.00 C ATOM 131 OH TYR A 11 5.286 25.848 -1.594 1.00 0.00 O ATOM 0 H TYR A 11 8.774 20.591 -2.405 1.00 0.00 H new ATOM 0 HA TYR A 11 8.308 20.242 0.484 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.203 19.788 -1.622 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.005 20.012 0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 11 7.507 22.526 0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.865 21.445 -2.629 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.979 24.919 0.222 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.324 23.845 -2.985 1.00 0.00 H new ATOM 0 HH TYR A 11 4.331 25.927 -1.798 1.00 0.00 H new ATOM 141 N SER A 12 7.916 17.708 0.183 1.00 0.00 N ATOM 142 CA SER A 12 8.041 16.265 0.168 1.00 0.00 C ATOM 143 C SER A 12 6.931 15.646 -0.653 1.00 0.00 C ATOM 144 O SER A 12 5.872 16.244 -0.844 1.00 0.00 O ATOM 145 CB SER A 12 7.987 15.754 1.609 1.00 0.00 C ATOM 146 OG SER A 12 9.050 16.299 2.361 1.00 0.00 O ATOM 0 H SER A 12 7.514 18.059 1.052 1.00 0.00 H new ATOM 0 HA SER A 12 8.991 15.984 -0.287 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.034 16.026 2.063 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.046 14.666 1.619 1.00 0.00 H new ATOM 0 HG SER A 12 9.004 15.966 3.282 1.00 0.00 H new ATOM 152 N ALA A 13 7.203 14.430 -1.147 1.00 0.00 N ATOM 153 CA ALA A 13 6.228 13.662 -1.900 1.00 0.00 C ATOM 154 C ALA A 13 5.015 13.446 -0.987 1.00 0.00 C ATOM 155 O ALA A 13 3.924 13.151 -1.474 1.00 0.00 O ATOM 156 CB ALA A 13 6.830 12.312 -2.305 1.00 0.00 C ATOM 0 H ALA A 13 8.102 13.962 -1.032 1.00 0.00 H new ATOM 0 HA ALA A 13 5.936 14.189 -2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.094 11.740 -2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.712 12.478 -2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.113 11.757 -1.411 1.00 0.00 H new ATOM 162 N SER A 14 5.216 13.611 0.335 1.00 0.00 N ATOM 163 CA SER A 14 4.172 13.460 1.332 1.00 0.00 C ATOM 164 C SER A 14 3.207 14.646 1.262 1.00 0.00 C ATOM 165 O SER A 14 2.010 14.444 1.432 1.00 0.00 O ATOM 166 CB SER A 14 4.767 13.272 2.731 1.00 0.00 C ATOM 167 OG SER A 14 5.508 14.398 3.133 1.00 0.00 O ATOM 0 H SER A 14 6.123 13.856 0.731 1.00 0.00 H new ATOM 0 HA SER A 14 3.602 12.556 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.965 13.089 3.446 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.409 12.391 2.739 1.00 0.00 H new ATOM 0 HG SER A 14 4.901 15.153 3.280 1.00 0.00 H new ATOM 173 N GLN A 15 3.704 15.873 1.020 1.00 0.00 N ATOM 174 CA GLN A 15 2.863 17.063 0.906 1.00 0.00 C ATOM 175 C GLN A 15 2.003 16.983 -0.352 1.00 0.00 C ATOM 176 O GLN A 15 0.799 17.226 -0.294 1.00 0.00 O ATOM 177 CB GLN A 15 3.705 18.347 0.885 1.00 0.00 C ATOM 178 CG GLN A 15 3.964 18.918 2.282 1.00 0.00 C ATOM 179 CD GLN A 15 4.930 18.065 3.096 1.00 0.00 C ATOM 180 OE1 GLN A 15 4.517 17.115 3.757 1.00 0.00 O ATOM 181 NE2 GLN A 15 6.219 18.413 3.056 1.00 0.00 N ATOM 0 H GLN A 15 4.699 16.060 0.899 1.00 0.00 H new ATOM 0 HA GLN A 15 2.217 17.098 1.783 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.659 18.141 0.401 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.197 19.098 0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.366 19.927 2.189 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.018 19.000 2.818 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.515 19.210 2.492 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.907 17.882 3.589 1.00 0.00 H new ATOM 190 N VAL A 16 2.641 16.647 -1.479 1.00 0.00 N ATOM 191 CA VAL A 16 2.011 16.495 -2.785 1.00 0.00 C ATOM 192 C VAL A 16 0.836 15.526 -2.647 1.00 0.00 C ATOM 193 O VAL A 16 -0.278 15.817 -3.078 1.00 0.00 O ATOM 194 CB VAL A 16 3.019 15.929 -3.805 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.435 15.910 -5.215 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.307 16.755 -3.875 1.00 0.00 C ATOM 0 H VAL A 16 3.645 16.468 -1.502 1.00 0.00 H new ATOM 0 HA VAL A 16 1.667 17.467 -3.137 1.00 0.00 H new ATOM 0 HB VAL A 16 3.240 14.920 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.172 15.505 -5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.541 15.286 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.174 16.925 -5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.983 16.314 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.068 17.777 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.788 16.763 -2.897 1.00 0.00 H new ATOM 206 N ARG A 17 1.123 14.376 -2.023 1.00 0.00 N ATOM 207 CA ARG A 17 0.187 13.288 -1.791 1.00 0.00 C ATOM 208 C ARG A 17 -0.895 13.636 -0.769 1.00 0.00 C ATOM 209 O ARG A 17 -2.041 13.243 -0.960 1.00 0.00 O ATOM 210 CB ARG A 17 0.977 12.038 -1.375 1.00 0.00 C ATOM 211 CG ARG A 17 0.104 10.787 -1.194 1.00 0.00 C ATOM 212 CD ARG A 17 -0.302 10.562 0.267 1.00 0.00 C ATOM 213 NE ARG A 17 -1.099 9.334 0.402 1.00 0.00 N ATOM 214 CZ ARG A 17 -1.036 8.451 1.415 1.00 0.00 C ATOM 215 NH1 ARG A 17 -0.224 8.638 2.468 1.00 0.00 N ATOM 216 NH2 ARG A 17 -1.805 7.355 1.376 1.00 0.00 N ATOM 0 H ARG A 17 2.053 14.178 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.349 13.095 -2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.738 11.833 -2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.500 12.244 -0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.793 10.882 -1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.647 9.914 -1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.589 10.493 0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.877 11.416 0.625 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.764 9.132 -0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.367 9.468 2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.199 7.950 3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.429 7.198 0.585 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.767 6.678 2.138 1.00 0.00 H new ATOM 230 N ALA A 18 -0.561 14.370 0.300 1.00 0.00 N ATOM 231 CA ALA A 18 -1.506 14.731 1.349 1.00 0.00 C ATOM 232 C ALA A 18 -2.590 15.658 0.806 1.00 0.00 C ATOM 233 O ALA A 18 -3.780 15.372 0.935 1.00 0.00 O ATOM 234 CB ALA A 18 -0.758 15.365 2.525 1.00 0.00 C ATOM 0 H ALA A 18 0.381 14.730 0.457 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.003 13.830 1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.469 15.633 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.034 14.653 2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.238 16.261 2.185 1.00 0.00 H new ATOM 240 N ALA A 19 -2.167 16.765 0.187 1.00 0.00 N ATOM 241 CA ALA A 19 -3.062 17.751 -0.400 1.00 0.00 C ATOM 242 C ALA A 19 -3.891 17.140 -1.524 1.00 0.00 C ATOM 243 O ALA A 19 -5.038 17.538 -1.707 1.00 0.00 O ATOM 244 CB ALA A 19 -2.259 18.945 -0.909 1.00 0.00 C ATOM 0 H ALA A 19 -1.180 16.999 0.082 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.752 18.093 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.936 19.679 -1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.718 19.400 -0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.549 18.610 -1.665 1.00 0.00 H new ATOM 250 N ALA A 20 -3.318 16.192 -2.277 1.00 0.00 N ATOM 251 CA ALA A 20 -4.040 15.539 -3.355 1.00 0.00 C ATOM 252 C ALA A 20 -5.045 14.535 -2.823 1.00 0.00 C ATOM 253 O ALA A 20 -6.123 14.398 -3.395 1.00 0.00 O ATOM 254 CB ALA A 20 -3.077 14.919 -4.367 1.00 0.00 C ATOM 0 H ALA A 20 -2.359 15.867 -2.153 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.612 16.300 -3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.646 14.437 -5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.446 15.699 -4.793 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.452 14.178 -3.868 1.00 0.00 H new ATOM 260 N ASN A 21 -4.693 13.832 -1.744 1.00 0.00 N ATOM 261 CA ASN A 21 -5.578 12.880 -1.102 1.00 0.00 C ATOM 262 C ASN A 21 -6.720 13.665 -0.434 1.00 0.00 C ATOM 263 O ASN A 21 -7.787 13.103 -0.179 1.00 0.00 O ATOM 264 CB ASN A 21 -4.786 12.063 -0.070 1.00 0.00 C ATOM 265 CG ASN A 21 -5.649 11.005 0.611 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.148 11.226 1.713 1.00 0.00 O ATOM 267 ND2 ASN A 21 -5.822 9.852 -0.041 1.00 0.00 N ATOM 0 H ASN A 21 -3.781 13.913 -1.296 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.998 12.184 -1.828 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.942 11.580 -0.562 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.374 12.734 0.684 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.387 9.111 0.374 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.389 9.712 -0.954 1.00 0.00 H new ATOM 274 N ALA A 22 -6.505 14.967 -0.171 1.00 0.00 N ATOM 275 CA ALA A 22 -7.494 15.808 0.493 1.00 0.00 C ATOM 276 C ALA A 22 -8.466 16.259 -0.586 1.00 0.00 C ATOM 277 O ALA A 22 -9.668 16.025 -0.479 1.00 0.00 O ATOM 278 CB ALA A 22 -6.831 16.975 1.228 1.00 0.00 C ATOM 0 H ALA A 22 -5.643 15.455 -0.415 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.029 15.261 1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.596 17.582 1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.145 16.588 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.279 17.588 0.515 1.00 0.00 H new ATOM 284 N ALA A 23 -7.917 16.915 -1.617 1.00 0.00 N ATOM 285 CA ALA A 23 -8.640 17.389 -2.787 1.00 0.00 C ATOM 286 C ALA A 23 -9.477 16.250 -3.377 1.00 0.00 C ATOM 287 O ALA A 23 -10.594 16.477 -3.835 1.00 0.00 O ATOM 288 CB ALA A 23 -7.625 17.879 -3.818 1.00 0.00 C ATOM 0 H ALA A 23 -6.921 17.134 -1.653 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.309 18.203 -2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.150 18.238 -4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.036 18.690 -3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.964 17.058 -4.097 1.00 0.00 H new ATOM 294 N CYS A 24 -8.917 15.030 -3.364 1.00 0.00 N ATOM 295 CA CYS A 24 -9.546 13.811 -3.843 1.00 0.00 C ATOM 296 C CYS A 24 -10.813 13.552 -3.037 1.00 0.00 C ATOM 297 O CYS A 24 -11.884 13.410 -3.620 1.00 0.00 O ATOM 298 CB CYS A 24 -8.566 12.636 -3.719 1.00 0.00 C ATOM 299 SG CYS A 24 -9.324 10.988 -3.668 1.00 0.00 S ATOM 0 H CYS A 24 -7.976 14.871 -3.003 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.814 13.919 -4.894 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.874 12.673 -4.560 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.975 12.773 -2.814 1.00 0.00 H new ATOM 304 N GLN A 25 -10.694 13.503 -1.702 1.00 0.00 N ATOM 305 CA GLN A 25 -11.828 13.273 -0.820 1.00 0.00 C ATOM 306 C GLN A 25 -12.922 14.324 -1.052 1.00 0.00 C ATOM 307 O GLN A 25 -14.109 14.004 -0.996 1.00 0.00 O ATOM 308 CB GLN A 25 -11.328 13.275 0.630 1.00 0.00 C ATOM 309 CG GLN A 25 -12.341 12.679 1.613 1.00 0.00 C ATOM 310 CD GLN A 25 -12.408 11.153 1.523 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.699 10.461 2.252 1.00 0.00 O ATOM 312 NE2 GLN A 25 -13.260 10.621 0.643 1.00 0.00 N ATOM 0 H GLN A 25 -9.807 13.622 -1.213 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.279 12.304 -1.036 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.398 12.710 0.689 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.099 14.298 0.928 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.073 12.969 2.629 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.328 13.096 1.412 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.832 11.228 0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.339 9.608 0.558 1.00 0.00 H new ATOM 321 N TYR A 26 -12.511 15.571 -1.323 1.00 0.00 N ATOM 322 CA TYR A 26 -13.397 16.702 -1.569 1.00 0.00 C ATOM 323 C TYR A 26 -13.927 16.781 -3.005 1.00 0.00 C ATOM 324 O TYR A 26 -14.769 17.636 -3.273 1.00 0.00 O ATOM 325 CB TYR A 26 -12.670 18.004 -1.214 1.00 0.00 C ATOM 326 CG TYR A 26 -12.246 18.147 0.238 1.00 0.00 C ATOM 327 CD1 TYR A 26 -13.152 17.856 1.277 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.946 18.584 0.555 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.754 17.978 2.619 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.549 18.708 1.898 1.00 0.00 C ATOM 331 CZ TYR A 26 -11.451 18.401 2.931 1.00 0.00 C ATOM 332 OH TYR A 26 -11.066 18.511 4.236 1.00 0.00 O ATOM 0 H TYR A 26 -11.523 15.821 -1.377 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.270 16.554 -0.933 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.783 18.086 -1.842 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.319 18.842 -1.468 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -14.157 17.538 1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.251 18.825 -0.236 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.450 17.746 3.411 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.549 19.040 2.136 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.135 18.814 4.278 1.00 0.00 H new ATOM 342 N TYR A 27 -13.453 15.926 -3.925 1.00 0.00 N ATOM 343 CA TYR A 27 -13.907 15.902 -5.314 1.00 0.00 C ATOM 344 C TYR A 27 -14.324 14.490 -5.742 1.00 0.00 C ATOM 345 O TYR A 27 -13.976 14.023 -6.824 1.00 0.00 O ATOM 346 CB TYR A 27 -12.904 16.586 -6.267 1.00 0.00 C ATOM 347 CG TYR A 27 -13.595 17.126 -7.512 1.00 0.00 C ATOM 348 CD1 TYR A 27 -14.208 18.397 -7.474 1.00 0.00 C ATOM 349 CD2 TYR A 27 -13.644 16.368 -8.702 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.870 18.900 -8.606 1.00 0.00 C ATOM 351 CE2 TYR A 27 -14.316 16.872 -9.830 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.935 18.132 -9.781 1.00 0.00 C ATOM 353 OH TYR A 27 -15.590 18.615 -10.876 1.00 0.00 O ATOM 0 H TYR A 27 -12.738 15.228 -3.718 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.811 16.507 -5.385 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.403 17.401 -5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.133 15.873 -6.558 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.168 18.986 -6.570 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.165 15.401 -8.746 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.329 19.877 -8.573 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.356 16.288 -10.738 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.539 17.960 -11.603 1.00 0.00 H new ATOM 363 N GLN A 28 -15.068 13.803 -4.867 1.00 0.00 N ATOM 364 CA GLN A 28 -15.615 12.471 -5.089 1.00 0.00 C ATOM 365 C GLN A 28 -17.096 12.513 -4.721 1.00 0.00 C ATOM 366 O GLN A 28 -17.940 12.704 -5.596 1.00 0.00 O ATOM 367 CB GLN A 28 -14.845 11.419 -4.279 1.00 0.00 C ATOM 368 CG GLN A 28 -13.555 11.048 -5.009 1.00 0.00 C ATOM 369 CD GLN A 28 -12.689 10.097 -4.185 1.00 0.00 C ATOM 370 OE1 GLN A 28 -12.515 10.292 -2.983 1.00 0.00 O ATOM 371 NE2 GLN A 28 -12.142 9.062 -4.830 1.00 0.00 N ATOM 0 H GLN A 28 -15.312 14.180 -3.951 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.509 12.180 -6.134 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.614 11.808 -3.287 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.462 10.532 -4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.799 10.582 -5.964 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.990 11.953 -5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.311 8.936 -5.828 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.555 8.398 -4.324 1.00 0.00 H new ATOM 380 N ASN A 29 -17.402 12.344 -3.429 1.00 0.00 N ATOM 381 CA ASN A 29 -18.772 12.343 -2.923 1.00 0.00 C ATOM 382 C ASN A 29 -18.893 12.547 -1.403 1.00 0.00 C ATOM 383 O ASN A 29 -19.991 12.838 -0.933 1.00 0.00 O ATOM 384 CB ASN A 29 -19.487 11.050 -3.353 1.00 0.00 C ATOM 385 CG ASN A 29 -20.996 11.252 -3.479 1.00 0.00 C ATOM 386 OD1 ASN A 29 -21.761 10.818 -2.619 1.00 0.00 O ATOM 387 ND2 ASN A 29 -21.425 11.908 -4.561 1.00 0.00 N ATOM 0 H ASN A 29 -16.699 12.204 -2.704 1.00 0.00 H new ATOM 0 HA ASN A 29 -19.257 13.212 -3.368 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.084 10.712 -4.308 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.285 10.264 -2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -22.423 12.066 -4.699 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -20.754 12.251 -5.249 1.00 0.00 H new ATOM 394 N ASP A 30 -17.802 12.409 -0.630 1.00 0.00 N ATOM 395 CA ASP A 30 -17.762 12.573 0.817 1.00 0.00 C ATOM 396 C ASP A 30 -17.597 14.064 1.108 1.00 0.00 C ATOM 397 O ASP A 30 -16.578 14.506 1.635 1.00 0.00 O ATOM 398 CB ASP A 30 -16.608 11.742 1.394 1.00 0.00 C ATOM 399 CG ASP A 30 -16.758 10.255 1.073 1.00 0.00 C ATOM 400 OD1 ASP A 30 -16.303 9.859 -0.023 1.00 0.00 O ATOM 401 OD2 ASP A 30 -17.328 9.542 1.927 1.00 0.00 O ATOM 0 H ASP A 30 -16.891 12.170 -1.021 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.679 12.219 1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.662 12.106 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -16.568 11.878 2.475 1.00 0.00 H new ATOM 406 N ASP A 31 -18.636 14.813 0.727 1.00 0.00 N ATOM 407 CA ASP A 31 -18.792 16.253 0.837 1.00 0.00 C ATOM 408 C ASP A 31 -17.989 16.912 -0.277 1.00 0.00 C ATOM 409 O ASP A 31 -16.759 16.889 -0.270 1.00 0.00 O ATOM 410 CB ASP A 31 -18.434 16.824 2.210 1.00 0.00 C ATOM 411 CG ASP A 31 -19.167 16.118 3.349 1.00 0.00 C ATOM 412 OD1 ASP A 31 -20.408 16.262 3.401 1.00 0.00 O ATOM 413 OD2 ASP A 31 -18.475 15.444 4.144 1.00 0.00 O ATOM 0 H ASP A 31 -19.456 14.383 0.298 1.00 0.00 H new ATOM 0 HA ASP A 31 -19.852 16.479 0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -17.359 16.738 2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.675 17.887 2.231 1.00 0.00 H new ATOM 418 N THR A 32 -18.713 17.508 -1.225 1.00 0.00 N ATOM 419 CA THR A 32 -18.157 18.172 -2.390 1.00 0.00 C ATOM 420 C THR A 32 -17.847 19.626 -2.042 1.00 0.00 C ATOM 421 O THR A 32 -18.599 20.530 -2.404 1.00 0.00 O ATOM 422 CB THR A 32 -19.123 18.042 -3.577 1.00 0.00 C ATOM 423 OG1 THR A 32 -20.405 18.526 -3.230 1.00 0.00 O ATOM 424 CG2 THR A 32 -19.229 16.582 -4.025 1.00 0.00 C ATOM 0 H THR A 32 -19.732 17.539 -1.197 1.00 0.00 H new ATOM 0 HA THR A 32 -17.222 17.698 -2.688 1.00 0.00 H new ATOM 0 HB THR A 32 -18.729 18.639 -4.400 1.00 0.00 H new ATOM 0 HG1 THR A 32 -20.316 19.383 -2.762 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.918 16.509 -4.867 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.246 16.222 -4.328 1.00 0.00 H new ATOM 0 HG23 THR A 32 -19.599 15.974 -3.200 1.00 0.00 H new ATOM 432 N ALA A 33 -16.734 19.841 -1.330 1.00 0.00 N ATOM 433 CA ALA A 33 -16.310 21.167 -0.913 1.00 0.00 C ATOM 434 C ALA A 33 -15.720 21.915 -2.103 1.00 0.00 C ATOM 435 O ALA A 33 -14.526 21.822 -2.376 1.00 0.00 O ATOM 436 CB ALA A 33 -15.309 21.070 0.232 1.00 0.00 C ATOM 0 H ALA A 33 -16.107 19.094 -1.031 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.174 21.724 -0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.002 22.072 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.773 20.564 1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.436 20.505 -0.095 1.00 0.00 H new ATOM 442 N GLY A 34 -16.590 22.659 -2.789 1.00 0.00 N ATOM 443 CA GLY A 34 -16.292 23.460 -3.966 1.00 0.00 C ATOM 444 C GLY A 34 -16.321 24.930 -3.572 1.00 0.00 C ATOM 445 O GLY A 34 -17.396 25.477 -3.330 1.00 0.00 O ATOM 0 H GLY A 34 -17.572 22.718 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.314 23.195 -4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.022 23.264 -4.752 1.00 0.00 H new ATOM 449 N SER A 35 -15.147 25.571 -3.518 1.00 0.00 N ATOM 450 CA SER A 35 -15.028 26.969 -3.132 1.00 0.00 C ATOM 451 C SER A 35 -15.574 27.916 -4.203 1.00 0.00 C ATOM 452 O SER A 35 -16.585 28.576 -3.976 1.00 0.00 O ATOM 453 CB SER A 35 -13.566 27.311 -2.808 1.00 0.00 C ATOM 454 OG SER A 35 -13.040 26.420 -1.848 1.00 0.00 O ATOM 0 H SER A 35 -14.256 25.128 -3.742 1.00 0.00 H new ATOM 0 HA SER A 35 -15.636 27.110 -2.238 1.00 0.00 H new ATOM 0 HB2 SER A 35 -12.968 27.266 -3.718 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.502 28.333 -2.435 1.00 0.00 H new ATOM 0 HG SER A 35 -12.108 26.656 -1.659 1.00 0.00 H new ATOM 460 N SER A 36 -14.899 27.960 -5.360 1.00 0.00 N ATOM 461 CA SER A 36 -15.144 28.787 -6.534 1.00 0.00 C ATOM 462 C SER A 36 -13.758 28.795 -7.163 1.00 0.00 C ATOM 463 O SER A 36 -13.593 28.557 -8.360 1.00 0.00 O ATOM 464 CB SER A 36 -15.618 30.213 -6.198 1.00 0.00 C ATOM 465 OG SER A 36 -14.816 30.821 -5.207 1.00 0.00 O ATOM 0 H SER A 36 -14.090 27.356 -5.504 1.00 0.00 H new ATOM 0 HA SER A 36 -15.945 28.409 -7.169 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.601 30.822 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.652 30.179 -5.856 1.00 0.00 H new ATOM 0 HG SER A 36 -15.150 31.724 -5.025 1.00 0.00 H new ATOM 471 N THR A 37 -12.768 29.067 -6.297 1.00 0.00 N ATOM 472 CA THR A 37 -11.365 29.079 -6.601 1.00 0.00 C ATOM 473 C THR A 37 -10.815 27.682 -6.276 1.00 0.00 C ATOM 474 O THR A 37 -9.851 27.534 -5.527 1.00 0.00 O ATOM 475 CB THR A 37 -10.656 30.258 -5.912 1.00 0.00 C ATOM 476 OG1 THR A 37 -9.275 30.228 -6.210 1.00 0.00 O ATOM 477 CG2 THR A 37 -10.860 30.328 -4.394 1.00 0.00 C ATOM 0 H THR A 37 -12.956 29.294 -5.320 1.00 0.00 H new ATOM 0 HA THR A 37 -11.173 29.263 -7.658 1.00 0.00 H new ATOM 0 HB THR A 37 -11.121 31.158 -6.314 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.908 29.350 -5.974 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.325 31.189 -3.994 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.923 30.427 -4.174 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.478 29.417 -3.933 1.00 0.00 H new ATOM 485 N TYR A 38 -11.466 26.652 -6.853 1.00 0.00 N ATOM 486 CA TYR A 38 -11.113 25.228 -6.792 1.00 0.00 C ATOM 487 C TYR A 38 -11.527 24.512 -5.506 1.00 0.00 C ATOM 488 O TYR A 38 -11.685 25.158 -4.472 1.00 0.00 O ATOM 489 CB TYR A 38 -9.624 25.064 -7.209 1.00 0.00 C ATOM 490 CG TYR A 38 -9.177 26.175 -8.147 1.00 0.00 C ATOM 491 CD1 TYR A 38 -10.029 26.544 -9.200 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.957 26.852 -7.974 1.00 0.00 C ATOM 493 CE1 TYR A 38 -9.691 27.583 -10.064 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.609 27.892 -8.852 1.00 0.00 C ATOM 495 CZ TYR A 38 -8.474 28.264 -9.896 1.00 0.00 C ATOM 496 OH TYR A 38 -8.135 29.277 -10.747 1.00 0.00 O ATOM 0 H TYR A 38 -12.307 26.808 -7.409 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.722 24.688 -7.517 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.995 25.064 -6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.487 24.099 -7.697 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.960 26.015 -9.342 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.291 26.574 -7.171 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.363 27.864 -10.861 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.670 28.410 -8.724 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.262 29.642 -10.490 1.00 0.00 H new ATOM 506 N PRO A 39 -11.716 23.177 -5.551 1.00 0.00 N ATOM 507 CA PRO A 39 -11.536 22.286 -6.697 1.00 0.00 C ATOM 508 C PRO A 39 -12.601 22.419 -7.793 1.00 0.00 C ATOM 509 O PRO A 39 -13.797 22.358 -7.512 1.00 0.00 O ATOM 510 CB PRO A 39 -11.525 20.859 -6.134 1.00 0.00 C ATOM 511 CG PRO A 39 -11.476 21.028 -4.616 1.00 0.00 C ATOM 512 CD PRO A 39 -12.119 22.393 -4.402 1.00 0.00 C ATOM 0 HA PRO A 39 -10.606 22.555 -7.198 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.414 20.308 -6.440 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.663 20.299 -6.496 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.026 20.238 -4.104 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.453 21.000 -4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.204 22.313 -4.339 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.778 22.849 -3.473 1.00 0.00 H new ATOM 520 N HIS A 40 -12.144 22.611 -9.042 1.00 0.00 N ATOM 521 CA HIS A 40 -12.987 22.739 -10.225 1.00 0.00 C ATOM 522 C HIS A 40 -12.159 22.501 -11.494 1.00 0.00 C ATOM 523 O HIS A 40 -10.931 22.445 -11.434 1.00 0.00 O ATOM 524 CB HIS A 40 -13.765 24.071 -10.226 1.00 0.00 C ATOM 525 CG HIS A 40 -13.289 25.154 -11.168 1.00 0.00 C ATOM 526 ND1 HIS A 40 -12.052 25.517 -11.650 1.00 0.00 N flip ATOM 527 CD2 HIS A 40 -14.172 26.056 -11.741 1.00 0.00 C flip ATOM 528 CE1 HIS A 40 -12.153 26.600 -12.519 1.00 0.00 C flip ATOM 529 NE2 HIS A 40 -13.456 26.882 -12.523 1.00 0.00 N flip ATOM 0 H HIS A 40 -11.149 22.682 -9.254 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.753 21.964 -10.204 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.806 23.853 -10.462 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.746 24.473 -9.213 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -15.240 26.089 -11.587 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.362 27.095 -13.062 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -13.866 27.644 -13.063 1.00 0.00 H new ATOM 537 N THR A 41 -12.850 22.375 -12.634 1.00 0.00 N ATOM 538 CA THR A 41 -12.353 22.125 -13.974 1.00 0.00 C ATOM 539 C THR A 41 -11.034 22.819 -14.338 1.00 0.00 C ATOM 540 O THR A 41 -10.875 24.018 -14.118 1.00 0.00 O ATOM 541 CB THR A 41 -13.467 22.548 -14.944 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.724 22.095 -14.480 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.229 21.949 -16.323 1.00 0.00 C ATOM 0 H THR A 41 -13.867 22.455 -12.630 1.00 0.00 H new ATOM 0 HA THR A 41 -12.108 21.065 -14.039 1.00 0.00 H new ATOM 0 HB THR A 41 -13.459 23.636 -15.003 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.424 22.373 -15.107 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.028 22.259 -16.997 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.271 22.297 -16.711 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.217 20.861 -16.250 1.00 0.00 H new ATOM 551 N TYR A 42 -10.102 22.038 -14.904 1.00 0.00 N ATOM 552 CA TYR A 42 -8.790 22.469 -15.365 1.00 0.00 C ATOM 553 C TYR A 42 -8.825 22.426 -16.894 1.00 0.00 C ATOM 554 O TYR A 42 -8.845 21.346 -17.485 1.00 0.00 O ATOM 555 CB TYR A 42 -7.702 21.545 -14.805 1.00 0.00 C ATOM 556 CG TYR A 42 -6.312 21.837 -15.344 1.00 0.00 C ATOM 557 CD1 TYR A 42 -5.676 23.053 -15.030 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.656 20.903 -16.169 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.396 23.333 -15.536 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.377 21.185 -16.676 1.00 0.00 C ATOM 561 CZ TYR A 42 -3.743 22.399 -16.359 1.00 0.00 C ATOM 562 OH TYR A 42 -2.499 22.673 -16.849 1.00 0.00 O ATOM 0 H TYR A 42 -10.258 21.042 -15.056 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.557 23.476 -15.020 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.686 21.634 -13.719 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.962 20.512 -15.036 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.174 23.773 -14.398 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.138 19.968 -16.412 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.913 24.268 -15.292 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.879 20.467 -17.311 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.191 21.922 -17.399 1.00 0.00 H new ATOM 572 N ASN A 43 -8.825 23.604 -17.526 1.00 0.00 N ATOM 573 CA ASN A 43 -8.881 23.767 -18.972 1.00 0.00 C ATOM 574 C ASN A 43 -7.591 23.350 -19.688 1.00 0.00 C ATOM 575 O ASN A 43 -7.666 22.811 -20.791 1.00 0.00 O ATOM 576 CB ASN A 43 -9.202 25.235 -19.278 1.00 0.00 C ATOM 577 CG ASN A 43 -9.393 25.484 -20.773 1.00 0.00 C ATOM 578 OD1 ASN A 43 -8.497 26.000 -21.437 1.00 0.00 O ATOM 579 ND2 ASN A 43 -10.562 25.115 -21.301 1.00 0.00 N ATOM 0 H ASN A 43 -8.785 24.492 -17.026 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.658 23.103 -19.350 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.107 25.526 -18.744 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.395 25.867 -18.906 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.740 25.258 -22.295 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.277 24.690 -20.710 1.00 0.00 H new ATOM 586 N ASN A 44 -6.427 23.605 -19.074 1.00 0.00 N ATOM 587 CA ASN A 44 -5.105 23.308 -19.619 1.00 0.00 C ATOM 588 C ASN A 44 -4.839 24.273 -20.775 1.00 0.00 C ATOM 589 O ASN A 44 -4.941 23.908 -21.944 1.00 0.00 O ATOM 590 CB ASN A 44 -4.944 21.825 -20.005 1.00 0.00 C ATOM 591 CG ASN A 44 -3.479 21.425 -20.202 1.00 0.00 C ATOM 592 OD1 ASN A 44 -2.594 22.273 -20.306 1.00 0.00 O ATOM 593 ND2 ASN A 44 -3.217 20.116 -20.250 1.00 0.00 N ATOM 0 H ASN A 44 -6.384 24.039 -18.152 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.346 23.463 -18.852 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.386 21.201 -19.228 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.497 21.630 -20.924 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.258 19.792 -20.376 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.976 19.440 -20.160 1.00 0.00 H new ATOM 600 N TYR A 45 -4.495 25.516 -20.417 1.00 0.00 N ATOM 601 CA TYR A 45 -4.223 26.608 -21.340 1.00 0.00 C ATOM 602 C TYR A 45 -2.884 26.424 -22.057 1.00 0.00 C ATOM 603 O TYR A 45 -1.852 26.865 -21.557 1.00 0.00 O ATOM 604 CB TYR A 45 -4.284 27.931 -20.568 1.00 0.00 C ATOM 605 CG TYR A 45 -5.613 28.164 -19.874 1.00 0.00 C ATOM 606 CD1 TYR A 45 -6.715 28.640 -20.608 1.00 0.00 C ATOM 607 CD2 TYR A 45 -5.755 27.895 -18.499 1.00 0.00 C ATOM 608 CE1 TYR A 45 -7.951 28.845 -19.974 1.00 0.00 C ATOM 609 CE2 TYR A 45 -6.992 28.102 -17.863 1.00 0.00 C ATOM 610 CZ TYR A 45 -8.090 28.577 -18.600 1.00 0.00 C ATOM 611 OH TYR A 45 -9.296 28.769 -17.989 1.00 0.00 O ATOM 0 H TYR A 45 -4.397 25.792 -19.440 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.982 26.617 -22.123 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.487 27.946 -19.825 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.093 28.754 -21.257 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.610 28.848 -21.662 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.912 27.529 -17.932 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.795 29.208 -20.541 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.098 27.896 -16.808 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.223 28.536 -17.040 1.00 0.00 H new ATOM 621 N GLU A 46 -2.940 25.773 -23.229 1.00 0.00 N ATOM 622 CA GLU A 46 -1.861 25.449 -24.161 1.00 0.00 C ATOM 623 C GLU A 46 -0.675 24.678 -23.568 1.00 0.00 C ATOM 624 O GLU A 46 -0.377 24.760 -22.376 1.00 0.00 O ATOM 625 CB GLU A 46 -1.429 26.662 -25.006 1.00 0.00 C ATOM 626 CG GLU A 46 -0.710 27.776 -24.235 1.00 0.00 C ATOM 627 CD GLU A 46 -0.096 28.800 -25.187 1.00 0.00 C ATOM 628 OE1 GLU A 46 -0.829 29.743 -25.561 1.00 0.00 O ATOM 629 OE2 GLU A 46 1.094 28.622 -25.530 1.00 0.00 O ATOM 0 H GLU A 46 -3.834 25.428 -23.578 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.312 24.725 -24.840 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.773 26.313 -25.804 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.313 27.085 -25.483 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.414 28.273 -23.568 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.071 27.343 -23.610 1.00 0.00 H new ATOM 636 N GLY A 47 -0.002 23.909 -24.435 1.00 0.00 N ATOM 637 CA GLY A 47 1.162 23.105 -24.100 1.00 0.00 C ATOM 638 C GLY A 47 0.908 22.168 -22.921 1.00 0.00 C ATOM 639 O GLY A 47 -0.201 21.661 -22.747 1.00 0.00 O ATOM 0 H GLY A 47 -0.268 23.833 -25.417 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.456 22.517 -24.970 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.998 23.763 -23.863 1.00 0.00 H new ATOM 643 N PHE A 48 1.954 21.961 -22.110 1.00 0.00 N ATOM 644 CA PHE A 48 1.969 21.105 -20.933 1.00 0.00 C ATOM 645 C PHE A 48 1.651 19.640 -21.241 1.00 0.00 C ATOM 646 O PHE A 48 1.285 19.292 -22.364 1.00 0.00 O ATOM 647 CB PHE A 48 1.075 21.713 -19.843 1.00 0.00 C ATOM 648 CG PHE A 48 1.871 22.183 -18.646 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.488 23.449 -18.677 1.00 0.00 C ATOM 650 CD2 PHE A 48 2.009 21.359 -17.514 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.239 23.894 -17.576 1.00 0.00 C ATOM 652 CE2 PHE A 48 2.768 21.802 -16.420 1.00 0.00 C ATOM 653 CZ PHE A 48 3.382 23.069 -16.450 1.00 0.00 C ATOM 0 H PHE A 48 2.854 22.412 -22.272 1.00 0.00 H new ATOM 0 HA PHE A 48 2.989 21.071 -20.551 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.518 22.553 -20.259 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.342 20.973 -19.522 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.384 24.078 -19.548 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.533 20.390 -17.487 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.705 24.868 -17.596 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.882 21.169 -15.552 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.964 23.406 -15.605 1.00 0.00 H new ATOM 663 N ASP A 49 1.805 18.773 -20.232 1.00 0.00 N ATOM 664 CA ASP A 49 1.529 17.353 -20.371 1.00 0.00 C ATOM 665 C ASP A 49 1.271 16.711 -19.008 1.00 0.00 C ATOM 666 O ASP A 49 2.111 16.773 -18.113 1.00 0.00 O ATOM 667 CB ASP A 49 2.660 16.641 -21.132 1.00 0.00 C ATOM 668 CG ASP A 49 4.025 16.784 -20.460 1.00 0.00 C ATOM 669 OD1 ASP A 49 4.685 17.814 -20.719 1.00 0.00 O ATOM 670 OD2 ASP A 49 4.388 15.858 -19.704 1.00 0.00 O ATOM 0 H ASP A 49 2.124 19.044 -19.302 1.00 0.00 H new ATOM 0 HA ASP A 49 0.620 17.240 -20.962 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.417 15.582 -21.223 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.717 17.043 -22.144 1.00 0.00 H new ATOM 675 N PHE A 50 0.084 16.108 -18.875 1.00 0.00 N ATOM 676 CA PHE A 50 -0.410 15.395 -17.709 1.00 0.00 C ATOM 677 C PHE A 50 -0.973 14.089 -18.282 1.00 0.00 C ATOM 678 O PHE A 50 -2.042 14.121 -18.893 1.00 0.00 O ATOM 679 CB PHE A 50 -1.509 16.207 -17.004 1.00 0.00 C ATOM 680 CG PHE A 50 -1.108 17.427 -16.182 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.196 17.602 -15.670 1.00 0.00 C ATOM 682 CD2 PHE A 50 -2.085 18.405 -15.912 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.514 18.743 -14.913 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.764 19.540 -15.148 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.466 19.711 -14.649 1.00 0.00 C ATOM 0 H PHE A 50 -0.597 16.110 -19.635 1.00 0.00 H new ATOM 0 HA PHE A 50 0.364 15.221 -16.961 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.214 16.540 -17.766 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.050 15.528 -16.345 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.953 16.856 -15.861 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.087 18.282 -16.295 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.516 18.875 -14.533 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.521 20.283 -14.945 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.221 20.585 -14.063 1.00 0.00 H new ATOM 695 N PRO A 51 -0.283 12.946 -18.114 1.00 0.00 N ATOM 696 CA PRO A 51 -0.708 11.659 -18.649 1.00 0.00 C ATOM 697 C PRO A 51 -1.892 11.046 -17.892 1.00 0.00 C ATOM 698 O PRO A 51 -1.718 10.170 -17.048 1.00 0.00 O ATOM 699 CB PRO A 51 0.547 10.784 -18.606 1.00 0.00 C ATOM 700 CG PRO A 51 1.286 11.307 -17.377 1.00 0.00 C ATOM 701 CD PRO A 51 0.981 12.804 -17.402 1.00 0.00 C ATOM 0 HA PRO A 51 -1.095 11.760 -19.663 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.299 9.727 -18.509 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.144 10.890 -19.512 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.928 10.838 -16.461 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.357 11.112 -17.437 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.906 13.204 -16.391 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.776 13.356 -17.904 1.00 0.00 H new ATOM 709 N VAL A 52 -3.097 11.521 -18.223 1.00 0.00 N ATOM 710 CA VAL A 52 -4.378 11.093 -17.674 1.00 0.00 C ATOM 711 C VAL A 52 -5.469 11.469 -18.682 1.00 0.00 C ATOM 712 O VAL A 52 -5.261 12.325 -19.542 1.00 0.00 O ATOM 713 CB VAL A 52 -4.657 11.718 -16.287 1.00 0.00 C ATOM 714 CG1 VAL A 52 -4.318 10.750 -15.147 1.00 0.00 C ATOM 715 CG2 VAL A 52 -3.926 13.048 -16.060 1.00 0.00 C ATOM 0 H VAL A 52 -3.205 12.256 -18.922 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.362 10.015 -17.517 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.727 11.924 -16.280 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.528 11.227 -14.190 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.923 9.848 -15.243 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.262 10.485 -15.196 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.166 13.431 -15.068 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.850 12.890 -16.137 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.241 13.770 -16.813 1.00 0.00 H new ATOM 725 N ASP A 53 -6.636 10.823 -18.568 1.00 0.00 N ATOM 726 CA ASP A 53 -7.781 11.063 -19.435 1.00 0.00 C ATOM 727 C ASP A 53 -8.575 12.281 -18.955 1.00 0.00 C ATOM 728 O ASP A 53 -8.877 13.171 -19.747 1.00 0.00 O ATOM 729 CB ASP A 53 -8.662 9.810 -19.475 1.00 0.00 C ATOM 730 CG ASP A 53 -9.852 9.997 -20.414 1.00 0.00 C ATOM 731 OD1 ASP A 53 -9.649 9.816 -21.634 1.00 0.00 O ATOM 732 OD2 ASP A 53 -10.941 10.328 -19.896 1.00 0.00 O ATOM 0 H ASP A 53 -6.807 10.110 -17.859 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.430 11.277 -20.444 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.069 8.956 -19.802 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.021 9.583 -18.471 1.00 0.00 H new ATOM 737 N GLY A 54 -8.915 12.307 -17.661 1.00 0.00 N ATOM 738 CA GLY A 54 -9.678 13.378 -17.041 1.00 0.00 C ATOM 739 C GLY A 54 -11.183 13.167 -17.227 1.00 0.00 C ATOM 740 O GLY A 54 -11.607 12.039 -17.483 1.00 0.00 O ATOM 0 H GLY A 54 -8.659 11.566 -17.009 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.444 13.426 -15.978 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.386 14.334 -17.475 1.00 0.00 H new ATOM 744 N PRO A 55 -12.013 14.220 -17.097 1.00 0.00 N ATOM 745 CA PRO A 55 -11.658 15.605 -16.784 1.00 0.00 C ATOM 746 C PRO A 55 -10.799 15.753 -15.528 1.00 0.00 C ATOM 747 O PRO A 55 -10.863 14.916 -14.630 1.00 0.00 O ATOM 748 CB PRO A 55 -12.990 16.341 -16.607 1.00 0.00 C ATOM 749 CG PRO A 55 -13.957 15.531 -17.467 1.00 0.00 C ATOM 750 CD PRO A 55 -13.452 14.103 -17.278 1.00 0.00 C ATOM 0 HA PRO A 55 -11.047 16.015 -17.588 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.302 16.362 -15.563 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.925 17.376 -16.942 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.989 15.644 -17.134 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.925 15.838 -18.512 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.919 13.633 -16.413 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.690 13.485 -18.144 1.00 0.00 H new ATOM 758 N TYR A 56 -10.006 16.830 -15.472 1.00 0.00 N ATOM 759 CA TYR A 56 -9.105 17.120 -14.361 1.00 0.00 C ATOM 760 C TYR A 56 -9.557 18.360 -13.604 1.00 0.00 C ATOM 761 O TYR A 56 -10.278 19.197 -14.146 1.00 0.00 O ATOM 762 CB TYR A 56 -7.663 17.292 -14.865 1.00 0.00 C ATOM 763 CG TYR A 56 -7.355 16.681 -16.216 1.00 0.00 C ATOM 764 CD1 TYR A 56 -6.909 15.352 -16.299 1.00 0.00 C ATOM 765 CD2 TYR A 56 -7.518 17.443 -17.389 1.00 0.00 C ATOM 766 CE1 TYR A 56 -6.619 14.792 -17.553 1.00 0.00 C ATOM 767 CE2 TYR A 56 -7.221 16.880 -18.643 1.00 0.00 C ATOM 768 CZ TYR A 56 -6.772 15.552 -18.724 1.00 0.00 C ATOM 769 OH TYR A 56 -6.477 15.003 -19.937 1.00 0.00 O ATOM 0 H TYR A 56 -9.975 17.532 -16.211 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.132 16.274 -13.674 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.440 18.358 -14.911 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.987 16.856 -14.129 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.790 14.763 -15.402 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -7.872 18.461 -17.325 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.276 13.770 -17.618 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.338 17.468 -19.542 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.074 14.119 -19.807 1.00 0.00 H new ATOM 779 N GLN A 57 -9.106 18.458 -12.347 1.00 0.00 N ATOM 780 CA GLN A 57 -9.435 19.539 -11.438 1.00 0.00 C ATOM 781 C GLN A 57 -8.191 20.115 -10.775 1.00 0.00 C ATOM 782 O GLN A 57 -7.205 19.409 -10.570 1.00 0.00 O ATOM 783 CB GLN A 57 -10.363 19.035 -10.330 1.00 0.00 C ATOM 784 CG GLN A 57 -11.298 17.898 -10.745 1.00 0.00 C ATOM 785 CD GLN A 57 -12.231 18.230 -11.910 1.00 0.00 C ATOM 786 OE1 GLN A 57 -12.390 17.426 -12.826 1.00 0.00 O ATOM 787 NE2 GLN A 57 -12.857 19.407 -11.876 1.00 0.00 N ATOM 0 H GLN A 57 -8.485 17.763 -11.932 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.922 20.314 -12.030 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.754 18.698 -9.491 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.965 19.870 -9.972 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.695 17.031 -11.016 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.902 17.610 -9.884 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.698 20.047 -11.098 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.495 19.667 -12.628 1.00 0.00 H new ATOM 796 N GLU A 58 -8.265 21.404 -10.435 1.00 0.00 N ATOM 797 CA GLU A 58 -7.204 22.144 -9.780 1.00 0.00 C ATOM 798 C GLU A 58 -7.313 22.012 -8.260 1.00 0.00 C ATOM 799 O GLU A 58 -8.385 21.725 -7.736 1.00 0.00 O ATOM 800 CB GLU A 58 -7.348 23.635 -10.133 1.00 0.00 C ATOM 801 CG GLU A 58 -7.259 23.930 -11.633 1.00 0.00 C ATOM 802 CD GLU A 58 -7.385 25.425 -11.914 1.00 0.00 C ATOM 803 OE1 GLU A 58 -6.408 26.147 -11.613 1.00 0.00 O ATOM 804 OE2 GLU A 58 -8.457 25.819 -12.425 1.00 0.00 O ATOM 0 H GLU A 58 -9.093 21.971 -10.617 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.246 21.746 -10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.306 23.996 -9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.571 24.197 -9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.309 23.564 -12.022 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.047 23.391 -12.159 1.00 0.00 H new ATOM 811 N PHE A 59 -6.194 22.201 -7.550 1.00 0.00 N ATOM 812 CA PHE A 59 -6.155 22.187 -6.094 1.00 0.00 C ATOM 813 C PHE A 59 -4.884 22.921 -5.687 1.00 0.00 C ATOM 814 O PHE A 59 -3.791 22.390 -5.872 1.00 0.00 O ATOM 815 CB PHE A 59 -6.197 20.808 -5.438 1.00 0.00 C ATOM 816 CG PHE A 59 -6.167 21.027 -3.934 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.356 21.354 -3.255 1.00 0.00 C ATOM 818 CD2 PHE A 59 -4.963 20.924 -3.213 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.333 21.576 -1.869 1.00 0.00 C ATOM 820 CE2 PHE A 59 -4.947 21.149 -1.827 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.132 21.475 -1.160 1.00 0.00 C ATOM 0 H PHE A 59 -5.285 22.369 -7.980 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.067 22.668 -5.740 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.098 20.270 -5.731 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.347 20.204 -5.756 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.285 21.434 -3.800 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.048 20.671 -3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.246 21.826 -1.349 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.021 21.070 -1.277 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.120 21.649 -0.094 1.00 0.00 H new ATOM 831 N PRO A 60 -4.981 24.124 -5.120 1.00 0.00 N ATOM 832 CA PRO A 60 -3.808 24.871 -4.763 1.00 0.00 C ATOM 833 C PRO A 60 -3.200 24.432 -3.430 1.00 0.00 C ATOM 834 O PRO A 60 -3.898 24.192 -2.446 1.00 0.00 O ATOM 835 CB PRO A 60 -4.280 26.312 -4.828 1.00 0.00 C ATOM 836 CG PRO A 60 -5.686 26.215 -4.232 1.00 0.00 C ATOM 837 CD PRO A 60 -6.180 24.872 -4.780 1.00 0.00 C ATOM 0 HA PRO A 60 -2.964 24.707 -5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.638 26.978 -4.251 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.296 26.690 -5.850 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.668 26.228 -3.142 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.321 27.042 -4.550 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.776 24.341 -4.038 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.814 25.015 -5.655 1.00 0.00 H new ATOM 845 N ILE A 61 -1.868 24.329 -3.453 1.00 0.00 N ATOM 846 CA ILE A 61 -0.965 23.964 -2.379 1.00 0.00 C ATOM 847 C ILE A 61 -0.361 25.289 -1.944 1.00 0.00 C ATOM 848 O ILE A 61 -0.728 26.376 -2.392 1.00 0.00 O ATOM 849 CB ILE A 61 0.103 22.995 -2.939 1.00 0.00 C ATOM 850 CG1 ILE A 61 -0.470 21.621 -3.340 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.559 22.854 -2.509 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.253 20.389 -2.743 1.00 0.00 C ATOM 0 H ILE A 61 -1.354 24.520 -4.313 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.442 23.454 -1.542 1.00 0.00 H new ATOM 0 HB ILE A 61 0.321 23.723 -3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.518 21.584 -3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.446 21.542 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.041 22.078 -3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.076 23.801 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.602 22.582 -1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.233 19.478 -3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.295 20.389 -3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.207 20.432 -1.655 1.00 0.00 H new ATOM 864 N LYS A 62 0.592 25.134 -1.051 1.00 0.00 N ATOM 865 CA LYS A 62 1.331 26.211 -0.412 1.00 0.00 C ATOM 866 C LYS A 62 2.615 25.738 0.255 1.00 0.00 C ATOM 867 O LYS A 62 2.947 24.553 0.228 1.00 0.00 O ATOM 868 CB LYS A 62 0.390 26.983 0.537 1.00 0.00 C ATOM 869 CG LYS A 62 -0.086 28.323 -0.049 1.00 0.00 C ATOM 870 CD LYS A 62 0.573 29.522 0.641 1.00 0.00 C ATOM 871 CE LYS A 62 0.272 30.823 -0.113 1.00 0.00 C ATOM 872 NZ LYS A 62 1.107 30.966 -1.317 1.00 0.00 N ATOM 0 H LYS A 62 0.890 24.212 -0.733 1.00 0.00 H new ATOM 0 HA LYS A 62 1.675 26.902 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.477 26.363 0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.905 27.167 1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.138 28.351 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.169 28.398 0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.212 29.600 1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.651 29.369 0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.780 30.843 -0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.440 31.673 0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.793 31.795 -1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.101 31.092 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.018 30.112 -1.905 1.00 0.00 H new ATOM 886 N SER A 63 3.321 26.699 0.868 1.00 0.00 N ATOM 887 CA SER A 63 4.554 26.487 1.606 1.00 0.00 C ATOM 888 C SER A 63 4.178 26.189 3.065 1.00 0.00 C ATOM 889 O SER A 63 4.698 26.814 3.989 1.00 0.00 O ATOM 890 CB SER A 63 5.434 27.737 1.458 1.00 0.00 C ATOM 891 OG SER A 63 6.716 27.528 2.009 1.00 0.00 O ATOM 0 H SER A 63 3.031 27.677 0.857 1.00 0.00 H new ATOM 0 HA SER A 63 5.128 25.642 1.225 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.527 27.997 0.403 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.956 28.582 1.953 1.00 0.00 H new ATOM 0 HG SER A 63 6.631 27.302 2.959 1.00 0.00 H new ATOM 897 N GLY A 64 3.260 25.229 3.267 1.00 0.00 N ATOM 898 CA GLY A 64 2.776 24.834 4.579 1.00 0.00 C ATOM 899 C GLY A 64 2.010 23.514 4.493 1.00 0.00 C ATOM 900 O GLY A 64 2.467 22.511 5.040 1.00 0.00 O ATOM 0 H GLY A 64 2.833 24.704 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.615 24.730 5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.128 25.612 4.983 1.00 0.00 H new ATOM 904 N GLY A 65 0.849 23.508 3.820 1.00 0.00 N ATOM 905 CA GLY A 65 0.046 22.303 3.687 1.00 0.00 C ATOM 906 C GLY A 65 -1.175 22.491 2.786 1.00 0.00 C ATOM 907 O GLY A 65 -1.156 23.288 1.848 1.00 0.00 O ATOM 0 H GLY A 65 0.453 24.329 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.667 21.503 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.285 21.984 4.675 1.00 0.00 H new ATOM 911 N VAL A 66 -2.237 21.735 3.098 1.00 0.00 N ATOM 912 CA VAL A 66 -3.517 21.704 2.397 1.00 0.00 C ATOM 913 C VAL A 66 -4.163 23.095 2.477 1.00 0.00 C ATOM 914 O VAL A 66 -4.233 23.665 3.565 1.00 0.00 O ATOM 915 CB VAL A 66 -4.402 20.598 3.019 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.645 20.308 2.167 1.00 0.00 C ATOM 917 CG2 VAL A 66 -3.631 19.278 3.188 1.00 0.00 C ATOM 0 H VAL A 66 -2.219 21.095 3.892 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.386 21.465 1.342 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.705 20.980 3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.237 19.525 2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.245 21.214 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.337 19.979 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.287 18.527 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.285 18.932 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.774 19.438 3.842 1.00 0.00 H new ATOM 927 N TYR A 67 -4.620 23.639 1.336 1.00 0.00 N ATOM 928 CA TYR A 67 -5.233 24.964 1.253 1.00 0.00 C ATOM 929 C TYR A 67 -6.555 24.957 0.484 1.00 0.00 C ATOM 930 O TYR A 67 -6.646 24.389 -0.603 1.00 0.00 O ATOM 931 CB TYR A 67 -4.254 25.942 0.589 1.00 0.00 C ATOM 932 CG TYR A 67 -3.849 27.083 1.499 1.00 0.00 C ATOM 933 CD1 TYR A 67 -4.619 28.258 1.548 1.00 0.00 C ATOM 934 CD2 TYR A 67 -2.704 26.961 2.307 1.00 0.00 C ATOM 935 CE1 TYR A 67 -4.241 29.313 2.399 1.00 0.00 C ATOM 936 CE2 TYR A 67 -2.316 28.021 3.144 1.00 0.00 C ATOM 937 CZ TYR A 67 -3.082 29.198 3.188 1.00 0.00 C ATOM 938 OH TYR A 67 -2.708 30.228 4.002 1.00 0.00 O ATOM 0 H TYR A 67 -4.571 23.160 0.437 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.456 25.281 2.272 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.362 25.399 0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.711 26.349 -0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.501 28.351 0.932 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.122 26.051 2.284 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.840 30.210 2.446 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.429 27.931 3.753 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.887 29.987 4.479 1.00 0.00 H new ATOM 948 N THR A 68 -7.569 25.612 1.064 1.00 0.00 N ATOM 949 CA THR A 68 -8.913 25.764 0.538 1.00 0.00 C ATOM 950 C THR A 68 -9.362 27.233 0.633 1.00 0.00 C ATOM 951 O THR A 68 -10.097 27.702 -0.236 1.00 0.00 O ATOM 952 CB THR A 68 -9.810 24.814 1.350 1.00 0.00 C ATOM 953 OG1 THR A 68 -9.769 23.524 0.777 1.00 0.00 O ATOM 954 CG2 THR A 68 -11.254 25.290 1.457 1.00 0.00 C ATOM 0 H THR A 68 -7.456 26.074 1.966 1.00 0.00 H new ATOM 0 HA THR A 68 -8.970 25.506 -0.520 1.00 0.00 H new ATOM 0 HB THR A 68 -9.416 24.795 2.366 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.339 22.918 1.295 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.831 24.574 2.042 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.281 26.264 1.946 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.684 25.373 0.459 1.00 0.00 H new ATOM 962 N GLY A 69 -8.924 27.952 1.679 1.00 0.00 N ATOM 963 CA GLY A 69 -9.267 29.344 1.948 1.00 0.00 C ATOM 964 C GLY A 69 -8.612 30.362 1.008 1.00 0.00 C ATOM 965 O GLY A 69 -8.487 30.124 -0.194 1.00 0.00 O ATOM 0 H GLY A 69 -8.299 27.559 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.349 29.455 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.982 29.582 2.973 1.00 0.00 H new ATOM 969 N GLY A 70 -8.202 31.505 1.576 1.00 0.00 N ATOM 970 CA GLY A 70 -7.578 32.621 0.873 1.00 0.00 C ATOM 971 C GLY A 70 -6.139 32.350 0.431 1.00 0.00 C ATOM 972 O GLY A 70 -5.769 31.205 0.177 1.00 0.00 O ATOM 0 H GLY A 70 -8.302 31.678 2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.177 32.865 -0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.589 33.497 1.521 1.00 0.00 H new ATOM 976 N SER A 71 -5.341 33.429 0.336 1.00 0.00 N ATOM 977 CA SER A 71 -3.936 33.441 -0.078 1.00 0.00 C ATOM 978 C SER A 71 -3.814 33.196 -1.592 1.00 0.00 C ATOM 979 O SER A 71 -4.681 32.537 -2.165 1.00 0.00 O ATOM 980 CB SER A 71 -3.100 32.451 0.752 1.00 0.00 C ATOM 981 OG SER A 71 -3.321 32.648 2.133 1.00 0.00 O ATOM 0 H SER A 71 -5.683 34.364 0.559 1.00 0.00 H new ATOM 0 HA SER A 71 -3.525 34.431 0.120 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.361 31.429 0.479 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.042 32.581 0.526 1.00 0.00 H new ATOM 0 HG SER A 71 -3.099 31.827 2.620 1.00 0.00 H new ATOM 987 N PRO A 72 -2.769 33.715 -2.268 1.00 0.00 N ATOM 988 CA PRO A 72 -2.569 33.515 -3.700 1.00 0.00 C ATOM 989 C PRO A 72 -2.484 32.022 -4.027 1.00 0.00 C ATOM 990 O PRO A 72 -3.414 31.478 -4.621 1.00 0.00 O ATOM 991 CB PRO A 72 -1.311 34.307 -4.079 1.00 0.00 C ATOM 992 CG PRO A 72 -0.579 34.504 -2.752 1.00 0.00 C ATOM 993 CD PRO A 72 -1.707 34.546 -1.723 1.00 0.00 C ATOM 0 HA PRO A 72 -3.408 33.881 -4.291 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.697 33.761 -4.795 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.565 35.262 -4.539 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.116 33.688 -2.552 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.002 35.426 -2.748 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.370 34.168 -0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.052 35.567 -1.562 1.00 0.00 H new ATOM 1001 N GLY A 73 -1.380 31.360 -3.660 1.00 0.00 N ATOM 1002 CA GLY A 73 -1.220 29.939 -3.892 1.00 0.00 C ATOM 1003 C GLY A 73 -0.662 29.682 -5.281 1.00 0.00 C ATOM 1004 O GLY A 73 -1.346 29.096 -6.119 1.00 0.00 O ATOM 0 H GLY A 73 -0.584 31.800 -3.198 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.552 29.516 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.181 29.437 -3.782 1.00 0.00 H new ATOM 1008 N ALA A 74 0.577 30.137 -5.515 1.00 0.00 N ATOM 1009 CA ALA A 74 1.261 29.940 -6.783 1.00 0.00 C ATOM 1010 C ALA A 74 1.407 28.439 -6.980 1.00 0.00 C ATOM 1011 O ALA A 74 1.068 27.944 -8.045 1.00 0.00 O ATOM 1012 CB ALA A 74 2.625 30.627 -6.783 1.00 0.00 C ATOM 0 H ALA A 74 1.126 30.651 -4.825 1.00 0.00 H new ATOM 0 HA ALA A 74 0.690 30.382 -7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.115 30.464 -7.743 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.494 31.697 -6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.242 30.212 -5.986 1.00 0.00 H new ATOM 1018 N ASP A 75 1.899 27.741 -5.944 1.00 0.00 N ATOM 1019 CA ASP A 75 2.096 26.299 -5.907 1.00 0.00 C ATOM 1020 C ASP A 75 0.725 25.628 -5.967 1.00 0.00 C ATOM 1021 O ASP A 75 -0.167 26.025 -5.219 1.00 0.00 O ATOM 1022 CB ASP A 75 2.809 25.910 -4.605 1.00 0.00 C ATOM 1023 CG ASP A 75 4.024 26.786 -4.306 1.00 0.00 C ATOM 1024 OD1 ASP A 75 5.102 26.479 -4.855 1.00 0.00 O ATOM 1025 OD2 ASP A 75 3.854 27.750 -3.529 1.00 0.00 O ATOM 0 H ASP A 75 2.180 28.195 -5.075 1.00 0.00 H new ATOM 0 HA ASP A 75 2.708 25.979 -6.751 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.104 25.980 -3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.125 24.869 -4.667 1.00 0.00 H new ATOM 1030 N ARG A 76 0.549 24.617 -6.829 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.727 23.932 -6.986 1.00 0.00 C ATOM 1032 C ARG A 76 -0.592 22.536 -7.578 1.00 0.00 C ATOM 1033 O ARG A 76 0.106 22.362 -8.575 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.679 24.695 -7.937 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.929 26.184 -7.671 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.121 26.683 -8.494 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.332 28.120 -8.270 1.00 0.00 N ATOM 1038 CZ ARG A 76 -4.008 28.955 -9.079 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.567 28.525 -10.223 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.118 30.245 -8.734 1.00 0.00 N ATOM 0 H ARG A 76 1.289 24.257 -7.432 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.122 23.879 -5.972 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.286 24.599 -8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.643 24.187 -7.920 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.120 26.343 -6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.038 26.759 -7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.944 26.496 -9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.019 26.130 -8.218 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.929 28.521 -7.423 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.484 27.545 -10.495 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.075 29.178 -10.820 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.693 30.580 -7.870 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.627 30.892 -9.336 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.266 21.552 -6.960 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.295 20.187 -7.456 1.00 0.00 C ATOM 1056 C VAL A 77 -2.588 20.112 -8.266 1.00 0.00 C ATOM 1057 O VAL A 77 -3.573 20.779 -7.949 1.00 0.00 O ATOM 1058 CB VAL A 77 -1.225 19.076 -6.397 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.194 18.945 -5.834 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.286 19.195 -5.301 1.00 0.00 C ATOM 0 H VAL A 77 -1.802 21.691 -6.104 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.392 19.993 -8.035 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.468 18.146 -6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.217 18.152 -5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.885 18.703 -6.642 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.491 19.887 -5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.171 18.375 -4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.166 20.145 -4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.279 19.150 -5.749 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.594 19.307 -9.325 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.757 19.179 -10.184 1.00 0.00 C ATOM 1072 C VAL A 78 -4.047 17.683 -10.313 1.00 0.00 C ATOM 1073 O VAL A 78 -3.213 16.938 -10.821 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.462 19.969 -11.473 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.582 19.855 -12.509 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.254 21.463 -11.119 1.00 0.00 C ATOM 0 H VAL A 78 -1.799 18.732 -9.606 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.682 19.613 -9.805 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.563 19.540 -11.915 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.318 20.432 -13.395 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.718 18.809 -12.784 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.509 20.243 -12.087 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.045 22.027 -12.028 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.156 21.855 -10.649 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.415 21.560 -10.431 1.00 0.00 H new ATOM 1086 N ILE A 79 -5.232 17.265 -9.832 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.720 15.887 -9.808 1.00 0.00 C ATOM 1088 C ILE A 79 -6.697 15.587 -10.947 1.00 0.00 C ATOM 1089 O ILE A 79 -7.076 16.490 -11.688 1.00 0.00 O ATOM 1090 CB ILE A 79 -6.448 15.623 -8.465 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.724 16.477 -8.301 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -5.534 15.857 -7.258 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -8.616 15.982 -7.157 1.00 0.00 C ATOM 0 H ILE A 79 -5.905 17.918 -9.430 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.851 15.240 -9.927 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.736 14.572 -8.498 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.443 17.514 -8.116 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.290 16.462 -9.232 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.087 15.660 -6.339 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.676 15.187 -7.316 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.188 16.891 -7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.499 16.616 -7.084 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.922 14.954 -7.353 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.061 16.023 -6.219 1.00 0.00 H new ATOM 1105 N ASN A 80 -7.099 14.312 -11.072 1.00 0.00 N ATOM 1106 CA ASN A 80 -8.071 13.843 -12.056 1.00 0.00 C ATOM 1107 C ASN A 80 -9.429 13.839 -11.345 1.00 0.00 C ATOM 1108 O ASN A 80 -9.517 14.261 -10.191 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.690 12.471 -12.647 1.00 0.00 C ATOM 1110 CG ASN A 80 -8.091 11.263 -11.797 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -8.293 11.372 -10.591 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -8.209 10.093 -12.431 1.00 0.00 N ATOM 0 H ASN A 80 -6.745 13.565 -10.474 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.102 14.501 -12.924 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.153 12.375 -13.629 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.611 12.446 -12.800 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.474 9.256 -11.912 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.034 10.037 -13.434 1.00 0.00 H new ATOM 1119 N THR A 81 -10.487 13.355 -12.007 1.00 0.00 N ATOM 1120 CA THR A 81 -11.812 13.316 -11.408 1.00 0.00 C ATOM 1121 C THR A 81 -12.126 12.115 -10.528 1.00 0.00 C ATOM 1122 O THR A 81 -13.218 11.552 -10.599 1.00 0.00 O ATOM 1123 CB THR A 81 -12.884 13.671 -12.442 1.00 0.00 C ATOM 1124 OG1 THR A 81 -14.144 13.865 -11.834 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.984 12.591 -13.514 1.00 0.00 C ATOM 0 H THR A 81 -10.444 12.987 -12.957 1.00 0.00 H new ATOM 0 HA THR A 81 -11.819 14.103 -10.654 1.00 0.00 H new ATOM 0 HB THR A 81 -12.584 14.607 -12.912 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.300 13.159 -11.172 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.752 12.866 -14.237 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.025 12.494 -14.023 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.246 11.640 -13.050 1.00 0.00 H new ATOM 1133 N ASN A 82 -11.171 11.721 -9.683 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.390 10.632 -8.760 1.00 0.00 C ATOM 1135 C ASN A 82 -10.417 10.802 -7.606 1.00 0.00 C ATOM 1136 O ASN A 82 -10.810 11.175 -6.503 1.00 0.00 O ATOM 1137 CB ASN A 82 -11.263 9.261 -9.457 1.00 0.00 C ATOM 1138 CG ASN A 82 -12.567 8.473 -9.370 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -12.770 7.717 -8.421 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -13.450 8.647 -10.357 1.00 0.00 N ATOM 0 H ASN A 82 -10.245 12.145 -9.627 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.409 10.658 -8.374 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.992 9.406 -10.503 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.458 8.689 -8.995 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.336 8.142 -10.343 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.238 9.285 -11.124 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.145 10.532 -7.895 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.082 10.584 -6.895 1.00 0.00 C ATOM 1149 C CYS A 83 -6.643 10.657 -7.413 1.00 0.00 C ATOM 1150 O CYS A 83 -5.736 10.883 -6.614 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.209 9.380 -5.944 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.824 9.714 -4.204 1.00 0.00 S ATOM 0 H CYS A 83 -8.824 10.272 -8.827 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.242 11.538 -6.393 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.228 8.997 -6.005 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.549 8.588 -6.298 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.417 10.486 -8.720 1.00 0.00 N ATOM 1158 CA GLU A 84 -5.074 10.453 -9.286 1.00 0.00 C ATOM 1159 C GLU A 84 -4.445 11.829 -9.477 1.00 0.00 C ATOM 1160 O GLU A 84 -4.954 12.653 -10.232 1.00 0.00 O ATOM 1161 CB GLU A 84 -5.103 9.690 -10.618 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.695 9.436 -11.176 1.00 0.00 C ATOM 1163 CD GLU A 84 -3.708 8.665 -12.496 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -4.805 8.236 -12.917 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -2.607 8.518 -13.070 1.00 0.00 O ATOM 0 H GLU A 84 -7.160 10.367 -9.409 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.442 9.940 -8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.613 8.737 -10.477 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.683 10.257 -11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.191 10.391 -11.324 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.114 8.879 -10.441 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.321 12.046 -8.785 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.530 13.263 -8.836 1.00 0.00 C ATOM 1174 C TYR A 85 -1.848 13.285 -10.208 1.00 0.00 C ATOM 1175 O TYR A 85 -1.011 12.430 -10.495 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.538 13.267 -7.660 1.00 0.00 C ATOM 1177 CG TYR A 85 -0.316 14.137 -7.877 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -0.466 15.497 -8.203 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.973 13.584 -7.765 1.00 0.00 C ATOM 1180 CE1 TYR A 85 0.667 16.294 -8.419 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.105 14.379 -7.993 1.00 0.00 C ATOM 1182 CZ TYR A 85 1.954 15.734 -8.327 1.00 0.00 C ATOM 1183 OH TYR A 85 3.060 16.500 -8.548 1.00 0.00 O ATOM 0 H TYR A 85 -2.930 11.348 -8.153 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.130 14.167 -8.730 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.057 13.607 -6.764 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.212 12.244 -7.471 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.453 15.927 -8.287 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.091 12.543 -7.502 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.551 17.341 -8.657 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.092 13.949 -7.912 1.00 0.00 H new ATOM 0 HH TYR A 85 3.865 15.951 -8.441 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.207 14.268 -11.045 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.682 14.419 -12.394 1.00 0.00 C ATOM 1195 C ALA A 86 -0.299 15.069 -12.404 1.00 0.00 C ATOM 1196 O ALA A 86 0.645 14.475 -12.921 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.681 15.182 -13.269 1.00 0.00 C ATOM 0 H ALA A 86 -2.883 14.989 -10.792 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.551 13.423 -12.818 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.276 15.288 -14.275 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.621 14.632 -13.312 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.858 16.170 -12.843 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.166 16.283 -11.846 1.00 0.00 N ATOM 1204 CA GLY A 87 1.124 16.962 -11.813 1.00 0.00 C ATOM 1205 C GLY A 87 1.078 18.283 -11.044 1.00 0.00 C ATOM 1206 O GLY A 87 0.034 18.931 -10.976 1.00 0.00 O ATOM 0 H GLY A 87 -0.931 16.804 -11.418 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.864 16.305 -11.355 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.456 17.152 -12.834 1.00 0.00 H new ATOM 1210 N ALA A 88 2.229 18.658 -10.465 1.00 0.00 N ATOM 1211 CA ALA A 88 2.417 19.864 -9.668 1.00 0.00 C ATOM 1212 C ALA A 88 3.031 20.977 -10.506 1.00 0.00 C ATOM 1213 O ALA A 88 4.031 20.769 -11.192 1.00 0.00 O ATOM 1214 CB ALA A 88 3.323 19.571 -8.476 1.00 0.00 C ATOM 0 H ALA A 88 3.082 18.104 -10.547 1.00 0.00 H new ATOM 0 HA ALA A 88 1.439 20.189 -9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.456 20.479 -7.888 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.868 18.800 -7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.293 19.224 -8.833 1.00 0.00 H new ATOM 1220 N ILE A 89 2.419 22.162 -10.425 1.00 0.00 N ATOM 1221 CA ILE A 89 2.808 23.362 -11.145 1.00 0.00 C ATOM 1222 C ILE A 89 2.888 24.542 -10.173 1.00 0.00 C ATOM 1223 O ILE A 89 2.347 24.453 -9.072 1.00 0.00 O ATOM 1224 CB ILE A 89 1.806 23.600 -12.289 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.361 23.737 -11.767 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.907 22.458 -13.302 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.645 24.061 -12.874 1.00 0.00 C ATOM 0 H ILE A 89 1.605 22.310 -9.828 1.00 0.00 H new ATOM 0 HA ILE A 89 3.798 23.249 -11.587 1.00 0.00 H new ATOM 0 HB ILE A 89 2.061 24.542 -12.775 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.068 22.809 -11.277 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.326 24.521 -11.011 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.197 22.626 -14.112 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.918 22.420 -13.707 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.677 21.513 -12.809 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.644 24.145 -12.445 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.373 25.004 -13.348 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.636 23.265 -13.618 1.00 0.00 H new ATOM 1239 N THR A 90 3.563 25.642 -10.555 1.00 0.00 N ATOM 1240 CA THR A 90 3.688 26.801 -9.678 1.00 0.00 C ATOM 1241 C THR A 90 3.961 28.134 -10.374 1.00 0.00 C ATOM 1242 O THR A 90 4.626 28.153 -11.408 1.00 0.00 O ATOM 1243 CB THR A 90 4.825 26.560 -8.671 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.754 27.537 -7.654 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.212 26.623 -9.338 1.00 0.00 C ATOM 0 H THR A 90 4.024 25.744 -11.459 1.00 0.00 H new ATOM 0 HA THR A 90 2.710 26.894 -9.206 1.00 0.00 H new ATOM 0 HB THR A 90 4.700 25.559 -8.257 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.859 27.107 -6.780 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.984 26.447 -8.589 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.278 25.860 -10.113 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.357 27.607 -9.784 1.00 0.00 H new ATOM 1253 N HIS A 91 3.435 29.242 -9.814 1.00 0.00 N ATOM 1254 CA HIS A 91 3.732 30.574 -10.353 1.00 0.00 C ATOM 1255 C HIS A 91 5.118 31.044 -9.877 1.00 0.00 C ATOM 1256 O HIS A 91 5.742 31.856 -10.559 1.00 0.00 O ATOM 1257 CB HIS A 91 2.784 31.752 -10.019 1.00 0.00 C ATOM 1258 CG HIS A 91 1.365 31.719 -10.493 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.585 32.865 -10.537 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.562 30.716 -10.951 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.622 32.509 -11.005 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.703 31.205 -11.266 1.00 0.00 N ATOM 0 H HIS A 91 2.815 29.238 -9.004 1.00 0.00 H new ATOM 0 HA HIS A 91 3.629 30.384 -11.421 1.00 0.00 H new ATOM 0 HB2 HIS A 91 2.763 31.855 -8.934 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.239 32.659 -10.417 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.866 29.685 -11.055 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.437 33.202 -11.153 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.507 30.684 -11.616 1.00 0.00 H new ATOM 1270 N THR A 92 5.578 30.546 -8.714 1.00 0.00 N ATOM 1271 CA THR A 92 6.835 30.861 -8.035 1.00 0.00 C ATOM 1272 C THR A 92 7.999 31.228 -8.952 1.00 0.00 C ATOM 1273 O THR A 92 8.533 32.332 -8.859 1.00 0.00 O ATOM 1274 CB THR A 92 7.203 29.736 -7.051 1.00 0.00 C ATOM 1275 OG1 THR A 92 6.128 29.506 -6.161 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.439 30.100 -6.219 1.00 0.00 C ATOM 0 H THR A 92 5.034 29.861 -8.190 1.00 0.00 H new ATOM 0 HA THR A 92 6.649 31.781 -7.480 1.00 0.00 H new ATOM 0 HB THR A 92 7.417 28.844 -7.640 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.523 28.838 -6.545 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.671 29.284 -5.535 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.287 30.269 -6.882 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.239 31.006 -5.648 1.00 0.00 H new ATOM 1284 N GLY A 93 8.375 30.301 -9.835 1.00 0.00 N ATOM 1285 CA GLY A 93 9.477 30.461 -10.774 1.00 0.00 C ATOM 1286 C GLY A 93 9.013 30.389 -12.227 1.00 0.00 C ATOM 1287 O GLY A 93 9.757 29.899 -13.075 1.00 0.00 O ATOM 0 H GLY A 93 7.908 29.398 -9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.966 31.419 -10.598 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.221 29.685 -10.593 1.00 0.00 H new ATOM 1291 N ALA A 94 7.801 30.882 -12.517 1.00 0.00 N ATOM 1292 CA ALA A 94 7.242 30.886 -13.860 1.00 0.00 C ATOM 1293 C ALA A 94 7.635 32.158 -14.613 1.00 0.00 C ATOM 1294 O ALA A 94 8.640 32.168 -15.323 1.00 0.00 O ATOM 1295 CB ALA A 94 5.727 30.666 -13.801 1.00 0.00 C ATOM 0 H ALA A 94 7.183 31.290 -11.816 1.00 0.00 H new ATOM 0 HA ALA A 94 7.663 30.056 -14.428 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.319 30.671 -14.812 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.517 29.706 -13.329 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.266 31.464 -13.220 1.00 0.00 H new ATOM 1301 N SER A 95 6.838 33.219 -14.459 1.00 0.00 N ATOM 1302 CA SER A 95 7.031 34.511 -15.102 1.00 0.00 C ATOM 1303 C SER A 95 6.206 35.559 -14.355 1.00 0.00 C ATOM 1304 O SER A 95 6.730 36.598 -13.960 1.00 0.00 O ATOM 1305 CB SER A 95 6.624 34.426 -16.580 1.00 0.00 C ATOM 1306 OG SER A 95 6.836 35.667 -17.218 1.00 0.00 O ATOM 0 H SER A 95 6.012 33.196 -13.860 1.00 0.00 H new ATOM 0 HA SER A 95 8.082 34.799 -15.066 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.203 33.649 -17.080 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.574 34.143 -16.660 1.00 0.00 H new ATOM 0 HG SER A 95 6.574 35.599 -18.160 1.00 0.00 H new ATOM 1312 N GLY A 96 4.912 35.273 -14.165 1.00 0.00 N ATOM 1313 CA GLY A 96 3.978 36.137 -13.465 1.00 0.00 C ATOM 1314 C GLY A 96 2.674 35.369 -13.276 1.00 0.00 C ATOM 1315 O GLY A 96 2.490 34.697 -12.263 1.00 0.00 O ATOM 0 H GLY A 96 4.484 34.412 -14.505 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.387 36.437 -12.500 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.803 37.050 -14.035 1.00 0.00 H new ATOM 1319 N ASN A 97 1.777 35.473 -14.263 1.00 0.00 N ATOM 1320 CA ASN A 97 0.490 34.792 -14.272 1.00 0.00 C ATOM 1321 C ASN A 97 0.663 33.333 -14.706 1.00 0.00 C ATOM 1322 O ASN A 97 -0.121 32.474 -14.306 1.00 0.00 O ATOM 1323 CB ASN A 97 -0.493 35.527 -15.197 1.00 0.00 C ATOM 1324 CG ASN A 97 -0.074 35.485 -16.669 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -0.484 34.590 -17.405 1.00 0.00 O ATOM 1326 ND2 ASN A 97 0.737 36.453 -17.101 1.00 0.00 N ATOM 0 H ASN A 97 1.935 36.046 -15.092 1.00 0.00 H new ATOM 0 HA ASN A 97 0.080 34.799 -13.262 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.483 35.082 -15.094 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.576 36.566 -14.878 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.039 36.468 -18.075 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.054 37.178 -16.457 1.00 0.00 H new ATOM 1333 N ASN A 98 1.690 33.067 -15.528 1.00 0.00 N ATOM 1334 CA ASN A 98 2.021 31.756 -16.061 1.00 0.00 C ATOM 1335 C ASN A 98 2.398 30.774 -14.946 1.00 0.00 C ATOM 1336 O ASN A 98 2.586 31.158 -13.790 1.00 0.00 O ATOM 1337 CB ASN A 98 3.161 31.928 -17.081 1.00 0.00 C ATOM 1338 CG ASN A 98 3.465 30.670 -17.898 1.00 0.00 C ATOM 1339 OD1 ASN A 98 2.556 29.925 -18.263 1.00 0.00 O ATOM 1340 ND2 ASN A 98 4.747 30.426 -18.186 1.00 0.00 N ATOM 0 H ASN A 98 2.331 33.794 -15.846 1.00 0.00 H new ATOM 0 HA ASN A 98 1.150 31.328 -16.556 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.904 32.738 -17.764 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.064 32.232 -16.552 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.000 29.598 -18.726 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.473 31.067 -17.866 1.00 0.00 H new ATOM 1347 N PHE A 99 2.498 29.498 -15.324 1.00 0.00 N ATOM 1348 CA PHE A 99 2.832 28.364 -14.483 1.00 0.00 C ATOM 1349 C PHE A 99 3.970 27.566 -15.120 1.00 0.00 C ATOM 1350 O PHE A 99 4.169 27.625 -16.334 1.00 0.00 O ATOM 1351 CB PHE A 99 1.622 27.417 -14.478 1.00 0.00 C ATOM 1352 CG PHE A 99 0.612 27.672 -13.393 1.00 0.00 C ATOM 1353 CD1 PHE A 99 0.849 27.132 -12.123 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.552 28.420 -13.639 1.00 0.00 C ATOM 1355 CE1 PHE A 99 -0.065 27.336 -11.084 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.473 28.630 -12.597 1.00 0.00 C ATOM 1357 CZ PHE A 99 -1.218 28.096 -11.321 1.00 0.00 C ATOM 0 H PHE A 99 2.336 29.219 -16.292 1.00 0.00 H new ATOM 0 HA PHE A 99 3.105 28.721 -13.490 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.121 27.489 -15.443 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.983 26.393 -14.382 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.744 26.554 -11.944 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.738 28.830 -14.621 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.116 26.911 -10.108 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.373 29.199 -12.776 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.917 28.273 -10.517 1.00 0.00 H new ATOM 1367 N VAL A 100 4.703 26.814 -14.292 1.00 0.00 N ATOM 1368 CA VAL A 100 5.789 25.938 -14.717 1.00 0.00 C ATOM 1369 C VAL A 100 5.738 24.677 -13.873 1.00 0.00 C ATOM 1370 O VAL A 100 5.226 24.683 -12.758 1.00 0.00 O ATOM 1371 CB VAL A 100 7.184 26.575 -14.682 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.311 27.662 -15.746 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.573 27.059 -13.285 1.00 0.00 C ATOM 0 H VAL A 100 4.550 26.801 -13.284 1.00 0.00 H new ATOM 0 HA VAL A 100 5.630 25.713 -15.772 1.00 0.00 H new ATOM 0 HB VAL A 100 7.908 25.798 -14.928 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.308 28.099 -15.702 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.149 27.227 -16.732 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.567 28.437 -15.565 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.569 27.501 -13.317 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.855 27.806 -12.946 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.573 26.216 -12.595 1.00 0.00 H new ATOM 1383 N GLY A 101 6.294 23.603 -14.429 1.00 0.00 N ATOM 1384 CA GLY A 101 6.310 22.293 -13.812 1.00 0.00 C ATOM 1385 C GLY A 101 7.377 22.181 -12.732 1.00 0.00 C ATOM 1386 O GLY A 101 8.535 22.513 -12.977 1.00 0.00 O ATOM 0 H GLY A 101 6.753 23.627 -15.339 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.332 22.086 -13.378 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.487 21.535 -14.575 1.00 0.00 H new ATOM 1390 N CYS A 102 6.979 21.714 -11.539 1.00 0.00 N ATOM 1391 CA CYS A 102 7.897 21.520 -10.426 1.00 0.00 C ATOM 1392 C CYS A 102 8.635 20.192 -10.663 1.00 0.00 C ATOM 1393 O CYS A 102 8.389 19.526 -11.668 1.00 0.00 O ATOM 1394 CB CYS A 102 7.135 21.546 -9.091 1.00 0.00 C ATOM 1395 SG CYS A 102 6.046 22.983 -8.811 1.00 0.00 S ATOM 0 H CYS A 102 6.013 21.463 -11.327 1.00 0.00 H new ATOM 0 HA CYS A 102 8.628 22.327 -10.369 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.531 20.641 -9.024 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.863 21.505 -8.281 1.00 0.00 H new ATOM 1400 N SER A 103 9.550 19.782 -9.773 1.00 0.00 N ATOM 1401 CA SER A 103 10.255 18.513 -9.963 1.00 0.00 C ATOM 1402 C SER A 103 9.248 17.359 -9.967 1.00 0.00 C ATOM 1403 O SER A 103 8.470 17.208 -9.026 1.00 0.00 O ATOM 1404 CB SER A 103 11.366 18.302 -8.931 1.00 0.00 C ATOM 1405 OG SER A 103 10.853 18.303 -7.618 1.00 0.00 O ATOM 0 H SER A 103 9.813 20.299 -8.934 1.00 0.00 H new ATOM 0 HA SER A 103 10.755 18.543 -10.931 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.871 17.356 -9.126 1.00 0.00 H new ATOM 0 HB3 SER A 103 12.113 19.089 -9.032 1.00 0.00 H new ATOM 0 HG SER A 103 10.366 17.468 -7.456 1.00 0.00 H new ATOM 1411 N GLY A 104 9.270 16.560 -11.040 1.00 0.00 N ATOM 1412 CA GLY A 104 8.381 15.430 -11.246 1.00 0.00 C ATOM 1413 C GLY A 104 7.151 15.863 -12.047 1.00 0.00 C ATOM 1414 O GLY A 104 6.046 15.391 -11.783 1.00 0.00 O ATOM 0 H GLY A 104 9.929 16.693 -11.807 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.907 14.636 -11.775 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.072 15.021 -10.284 1.00 0.00 H new ATOM 1418 N THR A 105 7.356 16.759 -13.024 1.00 0.00 N ATOM 1419 CA THR A 105 6.332 17.311 -13.902 1.00 0.00 C ATOM 1420 C THR A 105 7.002 17.701 -15.222 1.00 0.00 C ATOM 1421 O THR A 105 8.154 18.133 -15.217 1.00 0.00 O ATOM 1422 CB THR A 105 5.678 18.542 -13.248 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.151 18.214 -11.978 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.559 19.119 -14.119 1.00 0.00 C ATOM 0 H THR A 105 8.284 17.130 -13.227 1.00 0.00 H new ATOM 0 HA THR A 105 5.550 16.573 -14.082 1.00 0.00 H new ATOM 0 HB THR A 105 6.459 19.295 -13.138 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.463 18.866 -11.316 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.122 19.986 -13.623 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.967 19.420 -15.084 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.789 18.362 -14.271 1.00 0.00 H new ATOM 1432 N ASN A 106 6.273 17.550 -16.338 1.00 0.00 N ATOM 1433 CA ASN A 106 6.707 17.868 -17.694 1.00 0.00 C ATOM 1434 C ASN A 106 7.757 16.866 -18.182 1.00 0.00 C ATOM 1435 O ASN A 106 8.936 17.032 -17.799 1.00 0.00 O ATOM 1436 CB ASN A 106 7.160 19.334 -17.818 1.00 0.00 C ATOM 1437 CG ASN A 106 7.307 19.765 -19.276 1.00 0.00 C ATOM 1438 OD1 ASN A 106 6.403 20.386 -19.833 1.00 0.00 O ATOM 1439 ND2 ASN A 106 8.447 19.447 -19.897 1.00 0.00 N ATOM 1440 OXT ASN A 106 7.392 16.050 -19.056 1.00 0.00 O ATOM 0 H ASN A 106 5.321 17.185 -16.311 1.00 0.00 H new ATOM 0 HA ASN A 106 5.850 17.768 -18.360 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.437 19.980 -17.320 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.112 19.464 -17.303 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.592 19.721 -20.869 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.172 18.931 -19.399 1.00 0.00 H new