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 90 THR OG1 : rot 149:sc= 0.552 USER MOD Set 1.2: A 92 THR OG1 : rot 84:sc= 0.374 USER MOD Set 2.1: A 27 TYR OH : rot 168:sc= 0.219 USER MOD Set 2.2: A 81 THR OG1 : rot -39:sc= 0.592 USER MOD Set 3.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 40 HIS : no HD1:sc= 0.527 K(o=0.53,f=-1.7!) USER MOD Set 4.1: A 12 SER OG : rot 180:sc= 0.0507 USER MOD Set 4.2: A 15 GLN : amide:sc= -0.211 X(o=-0.16,f=0.051) USER MOD Set 5.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 10 ASN : amide:sc= -0.155 K(o=-0.16,f=-3.3) USER MOD Single : A 2 SER OG : rot 39:sc= 0.116 USER MOD Single : A 4 THR OG1 : rot 170:sc= -0.264 USER MOD Single : A 8 SER OG : rot -49:sc= 0.476 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.172 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.011) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0.0035) USER MOD Single : A 29 ASN : amide:sc= -0.254 K(o=-0.25,f=-0.97) USER MOD Single : A 32 THR OG1 : rot -51:sc= 0.245 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 26:sc= 0.831 USER MOD Single : A 37 THR OG1 : rot -33:sc= 0.69 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= -0.539 K(o=-0.54,f=-5.3!) USER MOD Single : A 44 ASN : amide:sc= -0.141 K(o=-0.14,f=-3.5!) 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 57 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.74) USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.03) USER MOD Single : A 63 SER OG : rot 59:sc= 0.0512 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -3.21! K(o=-3.2!,f=-1.7) USER MOD Single : A 82 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 85 TYR OH : rot 30:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.121 K(o=-0.12,f=-3!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.015) USER MOD Single : A 98 ASN : amide:sc= -0.0186 X(o=-0.019,f=-0.22) USER MOD Single : A 103 SER OG : rot 136:sc= 0.363 USER MOD Single : A 105 THR OG1 : rot 108:sc= 0.196 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 5.363 12.930 -6.136 1.00 0.00 N ATOM 16 CA SER A 2 6.686 12.812 -5.532 1.00 0.00 C ATOM 17 C SER A 2 7.143 14.193 -5.061 1.00 0.00 C ATOM 18 O SER A 2 6.433 15.174 -5.272 1.00 0.00 O ATOM 19 CB SER A 2 7.665 12.223 -6.553 1.00 0.00 C ATOM 20 OG SER A 2 7.214 10.958 -6.985 1.00 0.00 O ATOM 0 HA SER A 2 6.651 12.144 -4.672 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.760 12.894 -7.406 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.656 12.132 -6.107 1.00 0.00 H new ATOM 0 HG SER A 2 6.239 10.974 -7.082 1.00 0.00 H new ATOM 26 N ALA A 3 8.320 14.264 -4.420 1.00 0.00 N ATOM 27 CA ALA A 3 8.925 15.493 -3.914 1.00 0.00 C ATOM 28 C ALA A 3 8.822 16.614 -4.949 1.00 0.00 C ATOM 29 O ALA A 3 9.379 16.513 -6.040 1.00 0.00 O ATOM 30 CB ALA A 3 10.380 15.236 -3.522 1.00 0.00 C ATOM 0 H ALA A 3 8.890 13.438 -4.237 1.00 0.00 H new ATOM 0 HA ALA A 3 8.380 15.813 -3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.824 16.158 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.418 14.472 -2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.937 14.895 -4.395 1.00 0.00 H new ATOM 36 N THR A 4 8.110 17.685 -4.578 1.00 0.00 N ATOM 37 CA THR A 4 7.851 18.846 -5.417 1.00 0.00 C ATOM 38 C THR A 4 8.805 19.980 -5.064 1.00 0.00 C ATOM 39 O THR A 4 8.837 20.408 -3.916 1.00 0.00 O ATOM 40 CB THR A 4 6.401 19.329 -5.200 1.00 0.00 C ATOM 41 OG1 THR A 4 6.001 19.095 -3.870 1.00 0.00 O ATOM 42 CG2 THR A 4 5.359 18.707 -6.135 1.00 0.00 C ATOM 0 H THR A 4 7.687 17.763 -3.653 1.00 0.00 H new ATOM 0 HA THR A 4 7.999 18.561 -6.459 1.00 0.00 H new ATOM 0 HB THR A 4 6.431 20.393 -5.433 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.148 19.547 -3.701 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.374 19.111 -5.902 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.612 18.941 -7.169 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.349 17.625 -6.000 1.00 0.00 H new ATOM 50 N THR A 5 9.587 20.456 -6.039 1.00 0.00 N ATOM 51 CA THR A 5 10.499 21.550 -5.917 1.00 0.00 C ATOM 52 C THR A 5 9.913 22.510 -6.950 1.00 0.00 C ATOM 53 O THR A 5 10.238 22.452 -8.136 1.00 0.00 O ATOM 54 CB THR A 5 11.900 21.010 -6.200 1.00 0.00 C ATOM 55 OG1 THR A 5 12.423 20.437 -5.021 1.00 0.00 O ATOM 56 CG2 THR A 5 12.770 22.156 -6.662 1.00 0.00 C ATOM 0 H THR A 5 9.585 20.053 -6.976 1.00 0.00 H new ATOM 0 HA THR A 5 10.606 22.049 -4.954 1.00 0.00 H new ATOM 0 HB THR A 5 11.868 20.245 -6.975 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.321 20.088 -5.198 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.775 21.789 -6.869 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.348 22.590 -7.568 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.815 22.916 -5.882 1.00 0.00 H new ATOM 64 N CYS A 6 9.026 23.388 -6.477 1.00 0.00 N ATOM 65 CA CYS A 6 8.317 24.350 -7.302 1.00 0.00 C ATOM 66 C CYS A 6 8.969 25.726 -7.239 1.00 0.00 C ATOM 67 O CYS A 6 8.633 26.548 -6.386 1.00 0.00 O ATOM 68 CB CYS A 6 6.841 24.322 -6.898 1.00 0.00 C ATOM 69 SG CYS A 6 6.020 22.707 -7.088 1.00 0.00 S ATOM 0 H CYS A 6 8.780 23.446 -5.489 1.00 0.00 H new ATOM 0 HA CYS A 6 8.375 24.082 -8.357 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.759 24.634 -5.857 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.303 25.059 -7.495 1.00 0.00 H new ATOM 74 N GLY A 7 9.899 25.951 -8.177 1.00 0.00 N ATOM 75 CA GLY A 7 10.651 27.187 -8.326 1.00 0.00 C ATOM 76 C GLY A 7 11.685 27.328 -7.214 1.00 0.00 C ATOM 77 O GLY A 7 12.862 27.027 -7.415 1.00 0.00 O ATOM 0 H GLY A 7 10.151 25.249 -8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.149 27.201 -9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.970 28.038 -8.305 1.00 0.00 H new ATOM 81 N SER A 8 11.235 27.798 -6.045 1.00 0.00 N ATOM 82 CA SER A 8 12.052 27.989 -4.857 1.00 0.00 C ATOM 83 C SER A 8 11.235 27.688 -3.594 1.00 0.00 C ATOM 84 O SER A 8 11.554 28.190 -2.516 1.00 0.00 O ATOM 85 CB SER A 8 12.600 29.425 -4.862 1.00 0.00 C ATOM 86 OG SER A 8 13.554 29.606 -3.839 1.00 0.00 O ATOM 0 H SER A 8 10.260 28.062 -5.903 1.00 0.00 H new ATOM 0 HA SER A 8 12.894 27.297 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.053 29.642 -5.829 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.780 30.131 -4.729 1.00 0.00 H new ATOM 0 HG SER A 8 13.195 29.265 -2.993 1.00 0.00 H new ATOM 92 N THR A 9 10.178 26.872 -3.729 1.00 0.00 N ATOM 93 CA THR A 9 9.298 26.455 -2.649 1.00 0.00 C ATOM 94 C THR A 9 9.219 24.935 -2.749 1.00 0.00 C ATOM 95 O THR A 9 8.511 24.406 -3.605 1.00 0.00 O ATOM 96 CB THR A 9 7.925 27.137 -2.787 1.00 0.00 C ATOM 97 OG1 THR A 9 8.082 28.520 -3.028 1.00 0.00 O ATOM 98 CG2 THR A 9 7.117 26.961 -1.499 1.00 0.00 C ATOM 0 H THR A 9 9.911 26.475 -4.630 1.00 0.00 H new ATOM 0 HA THR A 9 9.669 26.747 -1.666 1.00 0.00 H new ATOM 0 HB THR A 9 7.402 26.674 -3.624 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.200 28.939 -3.115 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.148 27.447 -1.608 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.970 25.899 -1.304 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.657 27.411 -0.666 1.00 0.00 H new ATOM 106 N ASN A 10 9.959 24.242 -1.875 1.00 0.00 N ATOM 107 CA ASN A 10 10.021 22.787 -1.855 1.00 0.00 C ATOM 108 C ASN A 10 9.037 22.187 -0.853 1.00 0.00 C ATOM 109 O ASN A 10 8.688 22.815 0.145 1.00 0.00 O ATOM 110 CB ASN A 10 11.457 22.326 -1.564 1.00 0.00 C ATOM 111 CG ASN A 10 12.465 22.749 -2.636 1.00 0.00 C ATOM 112 OD1 ASN A 10 12.144 23.494 -3.559 1.00 0.00 O ATOM 113 ND2 ASN A 10 13.701 22.259 -2.511 1.00 0.00 N ATOM 0 H ASN A 10 10.534 24.685 -1.158 1.00 0.00 H new ATOM 0 HA ASN A 10 9.727 22.425 -2.840 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.772 22.730 -0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.470 21.240 -1.473 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.417 22.501 -3.196 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.929 21.643 -1.730 1.00 0.00 H new ATOM 120 N TYR A 11 8.589 20.958 -1.149 1.00 0.00 N ATOM 121 CA TYR A 11 7.672 20.187 -0.331 1.00 0.00 C ATOM 122 C TYR A 11 7.978 18.698 -0.485 1.00 0.00 C ATOM 123 O TYR A 11 8.526 18.259 -1.500 1.00 0.00 O ATOM 124 CB TYR A 11 6.210 20.406 -0.740 1.00 0.00 C ATOM 125 CG TYR A 11 5.802 21.761 -1.277 1.00 0.00 C ATOM 126 CD1 TYR A 11 6.079 22.091 -2.614 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.132 22.683 -0.456 1.00 0.00 C ATOM 128 CE1 TYR A 11 5.690 23.331 -3.134 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.748 23.928 -0.979 1.00 0.00 C ATOM 130 CZ TYR A 11 5.023 24.252 -2.315 1.00 0.00 C ATOM 131 OH TYR A 11 4.653 25.464 -2.808 1.00 0.00 O ATOM 0 H TYR A 11 8.872 20.466 -1.997 1.00 0.00 H new ATOM 0 HA TYR A 11 7.806 20.519 0.699 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.963 19.662 -1.498 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.588 20.194 0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.596 21.383 -3.245 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.913 22.435 0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.903 23.577 -4.164 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.238 24.641 -0.348 1.00 0.00 H new ATOM 0 HH TYR A 11 4.201 25.978 -2.107 1.00 0.00 H new ATOM 141 N SER A 12 7.593 17.932 0.537 1.00 0.00 N ATOM 142 CA SER A 12 7.759 16.495 0.621 1.00 0.00 C ATOM 143 C SER A 12 6.743 15.795 -0.258 1.00 0.00 C ATOM 144 O SER A 12 5.676 16.337 -0.545 1.00 0.00 O ATOM 145 CB SER A 12 7.580 16.072 2.082 1.00 0.00 C ATOM 146 OG SER A 12 6.320 16.496 2.557 1.00 0.00 O ATOM 0 H SER A 12 7.137 18.322 1.362 1.00 0.00 H new ATOM 0 HA SER A 12 8.753 16.216 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.665 14.989 2.168 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.372 16.503 2.694 1.00 0.00 H new ATOM 0 HG SER A 12 6.213 16.220 3.491 1.00 0.00 H new ATOM 152 N ALA A 13 7.102 14.579 -0.692 1.00 0.00 N ATOM 153 CA ALA A 13 6.217 13.745 -1.482 1.00 0.00 C ATOM 154 C ALA A 13 4.957 13.501 -0.638 1.00 0.00 C ATOM 155 O ALA A 13 3.902 13.183 -1.177 1.00 0.00 O ATOM 156 CB ALA A 13 6.909 12.416 -1.781 1.00 0.00 C ATOM 0 H ALA A 13 8.011 14.157 -0.501 1.00 0.00 H new ATOM 0 HA ALA A 13 5.961 14.222 -2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.246 11.786 -2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.828 12.601 -2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.147 11.911 -0.845 1.00 0.00 H new ATOM 162 N SER A 14 5.089 13.672 0.692 1.00 0.00 N ATOM 163 CA SER A 14 4.017 13.504 1.656 1.00 0.00 C ATOM 164 C SER A 14 3.010 14.649 1.520 1.00 0.00 C ATOM 165 O SER A 14 1.812 14.396 1.597 1.00 0.00 O ATOM 166 CB SER A 14 4.592 13.424 3.073 1.00 0.00 C ATOM 167 OG SER A 14 3.560 13.147 3.995 1.00 0.00 O ATOM 0 H SER A 14 5.974 13.938 1.123 1.00 0.00 H new ATOM 0 HA SER A 14 3.492 12.570 1.458 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.354 12.646 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.079 14.364 3.331 1.00 0.00 H new ATOM 0 HG SER A 14 3.934 13.096 4.899 1.00 0.00 H new ATOM 173 N GLN A 15 3.474 15.896 1.327 1.00 0.00 N ATOM 174 CA GLN A 15 2.593 17.046 1.160 1.00 0.00 C ATOM 175 C GLN A 15 1.802 16.948 -0.144 1.00 0.00 C ATOM 176 O GLN A 15 0.624 17.297 -0.173 1.00 0.00 O ATOM 177 CB GLN A 15 3.380 18.359 1.254 1.00 0.00 C ATOM 178 CG GLN A 15 3.643 18.729 2.718 1.00 0.00 C ATOM 179 CD GLN A 15 4.457 20.015 2.831 1.00 0.00 C ATOM 180 OE1 GLN A 15 3.893 21.107 2.900 1.00 0.00 O ATOM 181 NE2 GLN A 15 5.786 19.887 2.856 1.00 0.00 N ATOM 0 H GLN A 15 4.467 16.126 1.284 1.00 0.00 H new ATOM 0 HA GLN A 15 1.870 17.042 1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.327 18.260 0.723 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.823 19.159 0.766 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.694 18.851 3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.176 17.915 3.210 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.210 18.961 2.796 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.377 20.715 2.935 1.00 0.00 H new ATOM 190 N VAL A 16 2.449 16.487 -1.219 1.00 0.00 N ATOM 191 CA VAL A 16 1.823 16.307 -2.529 1.00 0.00 C ATOM 192 C VAL A 16 0.739 15.235 -2.423 1.00 0.00 C ATOM 193 O VAL A 16 -0.393 15.462 -2.844 1.00 0.00 O ATOM 194 CB VAL A 16 2.847 15.909 -3.601 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.204 15.890 -4.991 1.00 0.00 C ATOM 196 CG2 VAL A 16 3.989 16.920 -3.616 1.00 0.00 C ATOM 0 H VAL A 16 3.435 16.226 -1.202 1.00 0.00 H new ATOM 0 HA VAL A 16 1.385 17.258 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 16 3.218 14.912 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.950 15.605 -5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.386 15.170 -5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.818 16.882 -5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.716 16.637 -4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.595 17.911 -3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.474 16.936 -2.640 1.00 0.00 H new ATOM 206 N ARG A 17 1.097 14.074 -1.851 1.00 0.00 N ATOM 207 CA ARG A 17 0.189 12.946 -1.671 1.00 0.00 C ATOM 208 C ARG A 17 -0.968 13.321 -0.751 1.00 0.00 C ATOM 209 O ARG A 17 -2.094 12.900 -1.000 1.00 0.00 O ATOM 210 CB ARG A 17 0.931 11.716 -1.127 1.00 0.00 C ATOM 211 CG ARG A 17 1.656 10.962 -2.246 1.00 0.00 C ATOM 212 CD ARG A 17 2.206 9.622 -1.748 1.00 0.00 C ATOM 213 NE ARG A 17 2.753 8.838 -2.866 1.00 0.00 N ATOM 214 CZ ARG A 17 4.040 8.783 -3.249 1.00 0.00 C ATOM 215 NH1 ARG A 17 4.997 9.457 -2.592 1.00 0.00 N ATOM 216 NH2 ARG A 17 4.375 8.042 -4.315 1.00 0.00 N ATOM 0 H ARG A 17 2.038 13.897 -1.499 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.218 12.690 -2.649 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.651 12.028 -0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.222 11.049 -0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.970 10.790 -3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.473 11.573 -2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.984 9.796 -1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.414 9.058 -1.255 1.00 0.00 H new ATOM 0 HE ARG A 17 2.089 8.281 -3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.754 10.027 -1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.967 9.399 -2.903 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.656 7.528 -4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.348 7.992 -4.616 1.00 0.00 H new ATOM 230 N ALA A 18 -0.701 14.095 0.308 1.00 0.00 N ATOM 231 CA ALA A 18 -1.718 14.539 1.245 1.00 0.00 C ATOM 232 C ALA A 18 -2.691 15.471 0.529 1.00 0.00 C ATOM 233 O ALA A 18 -3.900 15.300 0.655 1.00 0.00 O ATOM 234 CB ALA A 18 -1.077 15.236 2.447 1.00 0.00 C ATOM 0 H ALA A 18 0.236 14.429 0.533 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.266 13.674 1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.856 15.561 3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.408 14.542 2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.510 16.102 2.106 1.00 0.00 H new ATOM 240 N ALA A 19 -2.160 16.440 -0.230 1.00 0.00 N ATOM 241 CA ALA A 19 -2.954 17.394 -0.987 1.00 0.00 C ATOM 242 C ALA A 19 -3.783 16.693 -2.063 1.00 0.00 C ATOM 243 O ALA A 19 -4.872 17.167 -2.381 1.00 0.00 O ATOM 244 CB ALA A 19 -2.065 18.502 -1.565 1.00 0.00 C ATOM 0 H ALA A 19 -1.154 16.577 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.661 17.870 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.679 19.205 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.564 19.028 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.319 18.062 -2.227 1.00 0.00 H new ATOM 250 N ALA A 20 -3.283 15.577 -2.618 1.00 0.00 N ATOM 251 CA ALA A 20 -3.994 14.815 -3.634 1.00 0.00 C ATOM 252 C ALA A 20 -5.066 13.908 -3.056 1.00 0.00 C ATOM 253 O ALA A 20 -6.151 13.827 -3.624 1.00 0.00 O ATOM 254 CB ALA A 20 -3.023 14.066 -4.549 1.00 0.00 C ATOM 0 H ALA A 20 -2.375 15.185 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.529 15.537 -4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.586 13.507 -5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.368 14.781 -5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.423 13.376 -3.956 1.00 0.00 H new ATOM 260 N ASN A 21 -4.777 13.219 -1.951 1.00 0.00 N ATOM 261 CA ASN A 21 -5.752 12.369 -1.290 1.00 0.00 C ATOM 262 C ASN A 21 -6.836 13.277 -0.687 1.00 0.00 C ATOM 263 O ASN A 21 -7.953 12.826 -0.429 1.00 0.00 O ATOM 264 CB ASN A 21 -5.052 11.544 -0.202 1.00 0.00 C ATOM 265 CG ASN A 21 -6.039 10.675 0.578 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.494 9.648 0.079 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.374 11.090 1.803 1.00 0.00 N ATOM 0 H ASN A 21 -3.864 13.238 -1.496 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.212 11.675 -1.993 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.293 10.910 -0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.536 12.214 0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.032 10.548 2.363 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.972 11.949 2.178 1.00 0.00 H new ATOM 274 N ALA A 22 -6.509 14.565 -0.489 1.00 0.00 N ATOM 275 CA ALA A 22 -7.414 15.532 0.109 1.00 0.00 C ATOM 276 C ALA A 22 -8.335 15.930 -1.020 1.00 0.00 C ATOM 277 O ALA A 22 -9.529 15.656 -0.953 1.00 0.00 O ATOM 278 CB ALA A 22 -6.633 16.709 0.681 1.00 0.00 C ATOM 0 H ALA A 22 -5.602 14.956 -0.744 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.979 15.134 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.326 17.424 1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.942 16.351 1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.072 17.195 -0.117 1.00 0.00 H new ATOM 284 N ALA A 23 -7.759 16.583 -2.036 1.00 0.00 N ATOM 285 CA ALA A 23 -8.462 16.993 -3.243 1.00 0.00 C ATOM 286 C ALA A 23 -9.414 15.881 -3.703 1.00 0.00 C ATOM 287 O ALA A 23 -10.600 16.125 -3.881 1.00 0.00 O ATOM 288 CB ALA A 23 -7.439 17.294 -4.344 1.00 0.00 C ATOM 0 H ALA A 23 -6.773 16.843 -2.036 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.048 17.888 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.960 17.602 -5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.777 18.096 -4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.851 16.399 -4.549 1.00 0.00 H new ATOM 294 N CYS A 24 -8.893 14.660 -3.878 1.00 0.00 N ATOM 295 CA CYS A 24 -9.623 13.474 -4.307 1.00 0.00 C ATOM 296 C CYS A 24 -10.900 13.228 -3.507 1.00 0.00 C ATOM 297 O CYS A 24 -11.996 13.241 -4.067 1.00 0.00 O ATOM 298 CB CYS A 24 -8.708 12.250 -4.179 1.00 0.00 C ATOM 299 SG CYS A 24 -9.573 10.653 -4.241 1.00 0.00 S ATOM 0 H CYS A 24 -7.904 14.470 -3.715 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.923 13.641 -5.342 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.969 12.280 -4.979 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.162 12.317 -3.238 1.00 0.00 H new ATOM 304 N GLN A 25 -10.751 13.008 -2.196 1.00 0.00 N ATOM 305 CA GLN A 25 -11.863 12.718 -1.309 1.00 0.00 C ATOM 306 C GLN A 25 -12.860 13.871 -1.269 1.00 0.00 C ATOM 307 O GLN A 25 -14.053 13.667 -1.472 1.00 0.00 O ATOM 308 CB GLN A 25 -11.312 12.424 0.093 1.00 0.00 C ATOM 309 CG GLN A 25 -10.559 11.085 0.123 1.00 0.00 C ATOM 310 CD GLN A 25 -9.780 10.876 1.421 1.00 0.00 C ATOM 311 OE1 GLN A 25 -9.512 11.822 2.159 1.00 0.00 O ATOM 312 NE2 GLN A 25 -9.403 9.625 1.696 1.00 0.00 N ATOM 0 H GLN A 25 -9.846 13.028 -1.726 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.400 11.847 -1.684 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.643 13.228 0.400 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.131 12.400 0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.271 10.269 -0.004 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.870 11.041 -0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.645 8.867 1.058 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.873 9.427 2.545 1.00 0.00 H new ATOM 321 N TYR A 26 -12.351 15.079 -1.022 1.00 0.00 N ATOM 322 CA TYR A 26 -13.135 16.299 -0.895 1.00 0.00 C ATOM 323 C TYR A 26 -13.869 16.652 -2.200 1.00 0.00 C ATOM 324 O TYR A 26 -14.931 17.269 -2.147 1.00 0.00 O ATOM 325 CB TYR A 26 -12.263 17.452 -0.351 1.00 0.00 C ATOM 326 CG TYR A 26 -11.346 17.183 0.844 1.00 0.00 C ATOM 327 CD1 TYR A 26 -11.449 16.018 1.639 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.367 18.141 1.165 1.00 0.00 C ATOM 329 CE1 TYR A 26 -10.572 15.811 2.717 1.00 0.00 C ATOM 330 CE2 TYR A 26 -9.508 17.946 2.259 1.00 0.00 C ATOM 331 CZ TYR A 26 -9.601 16.776 3.030 1.00 0.00 C ATOM 332 OH TYR A 26 -8.754 16.583 4.083 1.00 0.00 O ATOM 0 H TYR A 26 -11.350 15.235 -0.902 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.922 16.126 -0.161 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.640 17.810 -1.171 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -12.930 18.269 -0.077 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.207 15.282 1.416 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.275 19.034 0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.645 14.908 3.306 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.774 18.698 2.508 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.145 17.347 4.157 1.00 0.00 H new ATOM 342 N TYR A 27 -13.318 16.257 -3.363 1.00 0.00 N ATOM 343 CA TYR A 27 -13.911 16.503 -4.676 1.00 0.00 C ATOM 344 C TYR A 27 -15.137 15.612 -4.858 1.00 0.00 C ATOM 345 O TYR A 27 -16.227 16.113 -5.118 1.00 0.00 O ATOM 346 CB TYR A 27 -12.899 16.260 -5.820 1.00 0.00 C ATOM 347 CG TYR A 27 -13.487 16.238 -7.228 1.00 0.00 C ATOM 348 CD1 TYR A 27 -14.501 17.154 -7.580 1.00 0.00 C ATOM 349 CD2 TYR A 27 -13.038 15.302 -8.188 1.00 0.00 C ATOM 350 CE1 TYR A 27 -15.068 17.133 -8.865 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.616 15.282 -9.468 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.635 16.186 -9.807 1.00 0.00 C ATOM 353 OH TYR A 27 -15.185 16.152 -11.055 1.00 0.00 O ATOM 0 H TYR A 27 -12.434 15.750 -3.409 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.207 17.551 -4.721 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.136 17.037 -5.777 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.397 15.309 -5.641 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.844 17.877 -6.855 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.253 14.604 -7.938 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.836 17.845 -9.128 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.273 14.564 -10.198 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.650 15.568 -11.632 1.00 0.00 H new ATOM 363 N GLN A 28 -14.948 14.295 -4.712 1.00 0.00 N ATOM 364 CA GLN A 28 -15.999 13.298 -4.869 1.00 0.00 C ATOM 365 C GLN A 28 -17.131 13.532 -3.866 1.00 0.00 C ATOM 366 O GLN A 28 -18.297 13.330 -4.202 1.00 0.00 O ATOM 367 CB GLN A 28 -15.398 11.894 -4.737 1.00 0.00 C ATOM 368 CG GLN A 28 -14.431 11.600 -5.894 1.00 0.00 C ATOM 369 CD GLN A 28 -13.705 10.274 -5.694 1.00 0.00 C ATOM 370 OE1 GLN A 28 -12.846 10.164 -4.822 1.00 0.00 O ATOM 371 NE2 GLN A 28 -14.042 9.267 -6.505 1.00 0.00 N ATOM 0 H GLN A 28 -14.041 13.891 -4.477 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.436 13.390 -5.863 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.871 11.808 -3.787 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.196 11.152 -4.728 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.983 11.575 -6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.702 12.406 -5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.761 9.403 -7.215 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.580 8.362 -6.414 1.00 0.00 H new ATOM 380 N ASN A 29 -16.787 13.957 -2.644 1.00 0.00 N ATOM 381 CA ASN A 29 -17.755 14.245 -1.596 1.00 0.00 C ATOM 382 C ASN A 29 -18.494 15.556 -1.887 1.00 0.00 C ATOM 383 O ASN A 29 -19.684 15.657 -1.600 1.00 0.00 O ATOM 384 CB ASN A 29 -17.046 14.333 -0.236 1.00 0.00 C ATOM 385 CG ASN A 29 -16.395 13.020 0.200 1.00 0.00 C ATOM 386 OD1 ASN A 29 -16.669 11.959 -0.358 1.00 0.00 O ATOM 387 ND2 ASN A 29 -15.520 13.096 1.206 1.00 0.00 N ATOM 0 H ASN A 29 -15.819 14.110 -2.360 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.485 13.436 -1.568 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.283 15.110 -0.283 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -17.767 14.641 0.521 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -15.051 12.254 1.539 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -15.321 13.996 1.642 1.00 0.00 H new ATOM 394 N ASP A 30 -17.791 16.546 -2.464 1.00 0.00 N ATOM 395 CA ASP A 30 -18.295 17.874 -2.804 1.00 0.00 C ATOM 396 C ASP A 30 -18.586 18.662 -1.524 1.00 0.00 C ATOM 397 O ASP A 30 -19.667 19.226 -1.358 1.00 0.00 O ATOM 398 CB ASP A 30 -19.490 17.828 -3.768 1.00 0.00 C ATOM 399 CG ASP A 30 -19.134 17.133 -5.080 1.00 0.00 C ATOM 400 OD1 ASP A 30 -18.572 17.826 -5.956 1.00 0.00 O ATOM 401 OD2 ASP A 30 -19.426 15.921 -5.184 1.00 0.00 O ATOM 0 H ASP A 30 -16.809 16.429 -2.715 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.518 18.404 -3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.320 17.305 -3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -19.829 18.843 -3.975 1.00 0.00 H new ATOM 406 N ASP A 31 -17.588 18.695 -0.634 1.00 0.00 N ATOM 407 CA ASP A 31 -17.591 19.372 0.658 1.00 0.00 C ATOM 408 C ASP A 31 -16.176 19.288 1.234 1.00 0.00 C ATOM 409 O ASP A 31 -15.232 18.973 0.511 1.00 0.00 O ATOM 410 CB ASP A 31 -18.687 18.805 1.586 1.00 0.00 C ATOM 411 CG ASP A 31 -18.576 17.301 1.819 1.00 0.00 C ATOM 412 OD1 ASP A 31 -17.769 16.910 2.690 1.00 0.00 O ATOM 413 OD2 ASP A 31 -19.310 16.567 1.125 1.00 0.00 O ATOM 0 H ASP A 31 -16.704 18.219 -0.812 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.849 20.425 0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.638 19.317 2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.664 19.026 1.157 1.00 0.00 H new ATOM 418 N THR A 32 -16.035 19.582 2.529 1.00 0.00 N ATOM 419 CA THR A 32 -14.796 19.572 3.299 1.00 0.00 C ATOM 420 C THR A 32 -13.648 20.341 2.630 1.00 0.00 C ATOM 421 O THR A 32 -12.541 19.830 2.473 1.00 0.00 O ATOM 422 CB THR A 32 -14.484 18.183 3.882 1.00 0.00 C ATOM 423 OG1 THR A 32 -13.313 18.232 4.673 1.00 0.00 O ATOM 424 CG2 THR A 32 -14.333 17.120 2.805 1.00 0.00 C ATOM 0 H THR A 32 -16.836 19.850 3.101 1.00 0.00 H new ATOM 0 HA THR A 32 -14.951 20.176 4.193 1.00 0.00 H new ATOM 0 HB THR A 32 -15.335 17.903 4.502 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.591 18.656 4.163 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.114 16.159 3.270 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.260 17.044 2.236 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.517 17.394 2.136 1.00 0.00 H new ATOM 432 N ALA A 33 -13.947 21.593 2.255 1.00 0.00 N ATOM 433 CA ALA A 33 -13.053 22.551 1.623 1.00 0.00 C ATOM 434 C ALA A 33 -13.816 23.869 1.509 1.00 0.00 C ATOM 435 O ALA A 33 -14.618 24.042 0.591 1.00 0.00 O ATOM 436 CB ALA A 33 -12.581 22.065 0.251 1.00 0.00 C ATOM 0 H ALA A 33 -14.880 21.980 2.398 1.00 0.00 H new ATOM 0 HA ALA A 33 -12.152 22.677 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.915 22.808 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.048 21.121 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.443 21.920 -0.400 1.00 0.00 H new ATOM 442 N GLY A 34 -13.557 24.799 2.436 1.00 0.00 N ATOM 443 CA GLY A 34 -14.213 26.101 2.492 1.00 0.00 C ATOM 444 C GLY A 34 -13.573 27.148 1.579 1.00 0.00 C ATOM 445 O GLY A 34 -13.558 28.328 1.927 1.00 0.00 O ATOM 0 H GLY A 34 -12.873 24.660 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.261 25.983 2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.192 26.465 3.519 1.00 0.00 H new ATOM 449 N SER A 35 -13.042 26.727 0.423 1.00 0.00 N ATOM 450 CA SER A 35 -12.417 27.611 -0.545 1.00 0.00 C ATOM 451 C SER A 35 -13.532 28.305 -1.328 1.00 0.00 C ATOM 452 O SER A 35 -13.791 29.488 -1.119 1.00 0.00 O ATOM 453 CB SER A 35 -11.470 26.799 -1.440 1.00 0.00 C ATOM 454 OG SER A 35 -10.887 27.626 -2.423 1.00 0.00 O ATOM 0 H SER A 35 -13.039 25.747 0.139 1.00 0.00 H new ATOM 0 HA SER A 35 -11.809 28.377 -0.065 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.689 26.341 -0.832 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.019 25.988 -1.918 1.00 0.00 H new ATOM 0 HG SER A 35 -10.285 27.093 -2.984 1.00 0.00 H new ATOM 460 N SER A 36 -14.190 27.547 -2.214 1.00 0.00 N ATOM 461 CA SER A 36 -15.292 27.962 -3.066 1.00 0.00 C ATOM 462 C SER A 36 -15.887 26.677 -3.637 1.00 0.00 C ATOM 463 O SER A 36 -16.974 26.264 -3.237 1.00 0.00 O ATOM 464 CB SER A 36 -14.821 28.903 -4.188 1.00 0.00 C ATOM 465 OG SER A 36 -14.583 30.208 -3.709 1.00 0.00 O ATOM 0 H SER A 36 -13.945 26.567 -2.358 1.00 0.00 H new ATOM 0 HA SER A 36 -16.032 28.527 -2.499 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.909 28.508 -4.636 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.574 28.936 -4.975 1.00 0.00 H new ATOM 0 HG SER A 36 -14.363 30.171 -2.755 1.00 0.00 H new ATOM 471 N THR A 37 -15.161 26.053 -4.572 1.00 0.00 N ATOM 472 CA THR A 37 -15.547 24.805 -5.212 1.00 0.00 C ATOM 473 C THR A 37 -14.317 24.003 -5.676 1.00 0.00 C ATOM 474 O THR A 37 -14.464 23.066 -6.457 1.00 0.00 O ATOM 475 CB THR A 37 -16.606 25.078 -6.300 1.00 0.00 C ATOM 476 OG1 THR A 37 -17.072 23.875 -6.877 1.00 0.00 O ATOM 477 CG2 THR A 37 -16.115 26.017 -7.404 1.00 0.00 C ATOM 0 H THR A 37 -14.269 26.416 -4.908 1.00 0.00 H new ATOM 0 HA THR A 37 -16.029 24.148 -4.488 1.00 0.00 H new ATOM 0 HB THR A 37 -17.426 25.580 -5.786 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.343 23.221 -6.903 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.909 26.166 -8.135 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.838 26.977 -6.969 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.247 25.578 -7.896 1.00 0.00 H new ATOM 485 N TYR A 38 -13.108 24.349 -5.197 1.00 0.00 N ATOM 486 CA TYR A 38 -11.871 23.652 -5.533 1.00 0.00 C ATOM 487 C TYR A 38 -11.871 22.361 -4.708 1.00 0.00 C ATOM 488 O TYR A 38 -12.100 22.426 -3.500 1.00 0.00 O ATOM 489 CB TYR A 38 -10.625 24.483 -5.164 1.00 0.00 C ATOM 490 CG TYR A 38 -10.193 25.516 -6.195 1.00 0.00 C ATOM 491 CD1 TYR A 38 -11.084 26.545 -6.557 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.908 25.464 -6.786 1.00 0.00 C ATOM 493 CE1 TYR A 38 -10.707 27.506 -7.509 1.00 0.00 C ATOM 494 CE2 TYR A 38 -8.532 26.440 -7.727 1.00 0.00 C ATOM 495 CZ TYR A 38 -9.430 27.456 -8.093 1.00 0.00 C ATOM 496 OH TYR A 38 -9.065 28.398 -9.011 1.00 0.00 O ATOM 0 H TYR A 38 -12.970 25.132 -4.558 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.828 23.467 -6.606 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.819 24.996 -4.222 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.794 23.800 -4.990 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -12.061 26.595 -6.100 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.219 24.678 -6.516 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -11.400 28.285 -7.793 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.548 26.408 -8.170 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.151 28.220 -9.316 1.00 0.00 H new ATOM 506 N PRO A 39 -11.613 21.192 -5.313 1.00 0.00 N ATOM 507 CA PRO A 39 -11.317 20.966 -6.720 1.00 0.00 C ATOM 508 C PRO A 39 -12.480 21.172 -7.689 1.00 0.00 C ATOM 509 O PRO A 39 -13.514 20.511 -7.590 1.00 0.00 O ATOM 510 CB PRO A 39 -10.794 19.528 -6.805 1.00 0.00 C ATOM 511 CG PRO A 39 -10.467 19.190 -5.364 1.00 0.00 C ATOM 512 CD PRO A 39 -11.562 19.927 -4.610 1.00 0.00 C ATOM 0 HA PRO A 39 -10.595 21.717 -7.041 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.543 18.851 -7.217 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.914 19.457 -7.444 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.497 18.116 -5.180 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.473 19.535 -5.080 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.514 19.398 -4.653 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.316 20.056 -3.556 1.00 0.00 H new ATOM 520 N HIS A 40 -12.268 22.096 -8.633 1.00 0.00 N ATOM 521 CA HIS A 40 -13.184 22.473 -9.692 1.00 0.00 C ATOM 522 C HIS A 40 -12.506 22.072 -10.999 1.00 0.00 C ATOM 523 O HIS A 40 -11.288 21.881 -11.020 1.00 0.00 O ATOM 524 CB HIS A 40 -13.491 23.975 -9.640 1.00 0.00 C ATOM 525 CG HIS A 40 -12.454 24.864 -10.279 1.00 0.00 C ATOM 526 ND1 HIS A 40 -12.743 25.679 -11.363 1.00 0.00 N ATOM 527 CD2 HIS A 40 -11.123 25.072 -10.013 1.00 0.00 C ATOM 528 CE1 HIS A 40 -11.610 26.324 -11.690 1.00 0.00 C ATOM 529 NE2 HIS A 40 -10.587 25.999 -10.900 1.00 0.00 N ATOM 0 H HIS A 40 -11.398 22.627 -8.672 1.00 0.00 H new ATOM 0 HA HIS A 40 -14.146 21.971 -9.591 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.449 24.151 -10.129 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.607 24.270 -8.597 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.570 24.584 -9.225 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.537 27.029 -12.505 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -9.630 26.350 -10.937 1.00 0.00 H new ATOM 537 N THR A 41 -13.287 21.955 -12.079 1.00 0.00 N ATOM 538 CA THR A 41 -12.770 21.553 -13.378 1.00 0.00 C ATOM 539 C THR A 41 -11.577 22.405 -13.812 1.00 0.00 C ATOM 540 O THR A 41 -11.533 23.607 -13.551 1.00 0.00 O ATOM 541 CB THR A 41 -13.881 21.506 -14.433 1.00 0.00 C ATOM 542 OG1 THR A 41 -13.470 20.694 -15.513 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.205 22.902 -14.953 1.00 0.00 C ATOM 0 H THR A 41 -14.291 22.137 -12.070 1.00 0.00 H new ATOM 0 HA THR A 41 -12.390 20.536 -13.278 1.00 0.00 H new ATOM 0 HB THR A 41 -14.776 21.092 -13.968 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.181 20.662 -16.187 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.996 22.837 -15.700 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.537 23.530 -14.126 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.314 23.338 -15.405 1.00 0.00 H new ATOM 551 N TYR A 42 -10.620 21.747 -14.467 1.00 0.00 N ATOM 552 CA TYR A 42 -9.401 22.340 -14.984 1.00 0.00 C ATOM 553 C TYR A 42 -9.403 22.161 -16.500 1.00 0.00 C ATOM 554 O TYR A 42 -10.019 21.229 -17.012 1.00 0.00 O ATOM 555 CB TYR A 42 -8.190 21.692 -14.303 1.00 0.00 C ATOM 556 CG TYR A 42 -6.859 22.339 -14.632 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.658 23.705 -14.363 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.823 21.582 -15.209 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.426 24.310 -14.655 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.586 22.187 -15.494 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.387 23.549 -15.211 1.00 0.00 C ATOM 562 OH TYR A 42 -3.190 24.144 -15.478 1.00 0.00 O ATOM 0 H TYR A 42 -10.682 20.747 -14.656 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.343 23.407 -14.768 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.337 21.723 -13.223 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.149 20.641 -14.589 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.455 24.291 -13.930 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.978 20.537 -15.433 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.278 25.360 -14.452 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.788 21.604 -15.931 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.039 24.875 -14.843 1.00 0.00 H new ATOM 572 N ASN A 43 -8.724 23.070 -17.205 1.00 0.00 N ATOM 573 CA ASN A 43 -8.626 23.095 -18.660 1.00 0.00 C ATOM 574 C ASN A 43 -7.818 24.321 -19.079 1.00 0.00 C ATOM 575 O ASN A 43 -6.724 24.182 -19.625 1.00 0.00 O ATOM 576 CB ASN A 43 -10.014 23.074 -19.348 1.00 0.00 C ATOM 577 CG ASN A 43 -11.079 24.032 -18.791 1.00 0.00 C ATOM 578 OD1 ASN A 43 -10.943 24.603 -17.709 1.00 0.00 O ATOM 579 ND2 ASN A 43 -12.167 24.213 -19.543 1.00 0.00 N ATOM 0 H ASN A 43 -8.212 23.832 -16.761 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.117 22.189 -18.988 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.873 23.301 -20.405 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.407 22.059 -19.290 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.909 24.836 -19.225 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.256 23.728 -20.436 1.00 0.00 H new ATOM 586 N ASN A 44 -8.368 25.511 -18.805 1.00 0.00 N ATOM 587 CA ASN A 44 -7.791 26.811 -19.124 1.00 0.00 C ATOM 588 C ASN A 44 -7.433 26.875 -20.611 1.00 0.00 C ATOM 589 O ASN A 44 -6.357 27.346 -20.976 1.00 0.00 O ATOM 590 CB ASN A 44 -6.603 27.109 -18.193 1.00 0.00 C ATOM 591 CG ASN A 44 -7.014 27.106 -16.718 1.00 0.00 C ATOM 592 OD1 ASN A 44 -7.456 26.087 -16.192 1.00 0.00 O ATOM 593 ND2 ASN A 44 -6.869 28.248 -16.040 1.00 0.00 N ATOM 0 H ASN A 44 -9.269 25.591 -18.333 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.523 27.599 -18.947 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.822 26.366 -18.353 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.177 28.079 -18.448 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.128 28.293 -15.055 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.499 29.075 -16.508 1.00 0.00 H new ATOM 600 N TYR A 45 -8.361 26.396 -21.455 1.00 0.00 N ATOM 601 CA TYR A 45 -8.251 26.327 -22.903 1.00 0.00 C ATOM 602 C TYR A 45 -7.036 25.466 -23.279 1.00 0.00 C ATOM 603 O TYR A 45 -7.141 24.240 -23.267 1.00 0.00 O ATOM 604 CB TYR A 45 -8.292 27.743 -23.511 1.00 0.00 C ATOM 605 CG TYR A 45 -8.528 27.873 -25.009 1.00 0.00 C ATOM 606 CD1 TYR A 45 -8.686 26.751 -25.849 1.00 0.00 C ATOM 607 CD2 TYR A 45 -8.599 29.165 -25.565 1.00 0.00 C ATOM 608 CE1 TYR A 45 -8.911 26.924 -27.225 1.00 0.00 C ATOM 609 CE2 TYR A 45 -8.828 29.338 -26.941 1.00 0.00 C ATOM 610 CZ TYR A 45 -8.985 28.216 -27.773 1.00 0.00 C ATOM 611 OH TYR A 45 -9.217 28.377 -29.108 1.00 0.00 O ATOM 0 H TYR A 45 -9.251 26.030 -21.118 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.109 25.822 -23.347 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.075 28.303 -23.000 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.347 28.233 -23.279 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.634 25.756 -25.433 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.477 30.029 -24.929 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.028 26.061 -27.864 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.883 30.332 -27.359 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.239 29.333 -29.323 1.00 0.00 H new ATOM 621 N GLU A 46 -5.898 26.094 -23.606 1.00 0.00 N ATOM 622 CA GLU A 46 -4.652 25.432 -23.965 1.00 0.00 C ATOM 623 C GLU A 46 -3.518 26.126 -23.206 1.00 0.00 C ATOM 624 O GLU A 46 -2.688 26.806 -23.807 1.00 0.00 O ATOM 625 CB GLU A 46 -4.443 25.483 -25.487 1.00 0.00 C ATOM 626 CG GLU A 46 -5.425 24.574 -26.234 1.00 0.00 C ATOM 627 CD GLU A 46 -5.253 24.699 -27.747 1.00 0.00 C ATOM 628 OE1 GLU A 46 -4.222 24.197 -28.244 1.00 0.00 O ATOM 629 OE2 GLU A 46 -6.153 25.298 -28.377 1.00 0.00 O ATOM 0 H GLU A 46 -5.825 27.111 -23.626 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.675 24.378 -23.688 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.563 26.509 -25.835 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.422 25.184 -25.723 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.268 23.539 -25.932 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.447 24.835 -25.959 1.00 0.00 H new ATOM 636 N GLY A 47 -3.500 25.952 -21.876 1.00 0.00 N ATOM 637 CA GLY A 47 -2.515 26.542 -20.980 1.00 0.00 C ATOM 638 C GLY A 47 -1.519 25.479 -20.524 1.00 0.00 C ATOM 639 O GLY A 47 -0.370 25.472 -20.963 1.00 0.00 O ATOM 0 H GLY A 47 -4.191 25.381 -21.389 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.989 27.351 -21.487 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.014 26.979 -20.115 1.00 0.00 H new ATOM 643 N PHE A 48 -1.975 24.593 -19.633 1.00 0.00 N ATOM 644 CA PHE A 48 -1.197 23.493 -19.082 1.00 0.00 C ATOM 645 C PHE A 48 -2.118 22.278 -19.041 1.00 0.00 C ATOM 646 O PHE A 48 -3.130 22.297 -18.342 1.00 0.00 O ATOM 647 CB PHE A 48 -0.669 23.850 -17.679 1.00 0.00 C ATOM 648 CG PHE A 48 0.837 23.765 -17.530 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.441 22.521 -17.258 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.633 24.921 -17.644 1.00 0.00 C ATOM 651 CE1 PHE A 48 2.835 22.434 -17.102 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.028 24.832 -17.491 1.00 0.00 C ATOM 653 CZ PHE A 48 3.627 23.590 -17.216 1.00 0.00 C ATOM 0 H PHE A 48 -2.927 24.628 -19.268 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.322 23.283 -19.697 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.989 24.862 -17.432 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.131 23.183 -16.951 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.832 21.634 -17.169 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.172 25.876 -17.849 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.297 21.480 -16.895 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.639 25.717 -17.585 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.698 23.524 -17.092 1.00 0.00 H new ATOM 663 N ASP A 49 -1.767 21.235 -19.801 1.00 0.00 N ATOM 664 CA ASP A 49 -2.526 19.997 -19.878 1.00 0.00 C ATOM 665 C ASP A 49 -1.552 18.824 -19.947 1.00 0.00 C ATOM 666 O ASP A 49 -0.730 18.745 -20.859 1.00 0.00 O ATOM 667 CB ASP A 49 -3.457 20.015 -21.098 1.00 0.00 C ATOM 668 CG ASP A 49 -4.520 21.110 -20.993 1.00 0.00 C ATOM 669 OD1 ASP A 49 -5.557 20.837 -20.351 1.00 0.00 O ATOM 670 OD2 ASP A 49 -4.274 22.201 -21.553 1.00 0.00 O ATOM 0 H ASP A 49 -0.932 21.235 -20.387 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.150 19.890 -18.991 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.867 20.168 -22.002 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.944 19.045 -21.196 1.00 0.00 H new ATOM 675 N PHE A 50 -1.664 17.916 -18.973 1.00 0.00 N ATOM 676 CA PHE A 50 -0.845 16.716 -18.837 1.00 0.00 C ATOM 677 C PHE A 50 -1.520 15.586 -19.638 1.00 0.00 C ATOM 678 O PHE A 50 -2.575 15.827 -20.225 1.00 0.00 O ATOM 679 CB PHE A 50 -0.694 16.405 -17.336 1.00 0.00 C ATOM 680 CG PHE A 50 -0.559 17.626 -16.437 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.681 18.282 -16.310 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.682 18.118 -15.742 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.797 19.415 -15.486 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.566 19.254 -14.922 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.326 19.905 -14.799 1.00 0.00 C ATOM 0 H PHE A 50 -2.357 18.004 -18.230 1.00 0.00 H new ATOM 0 HA PHE A 50 0.160 16.842 -19.240 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.559 15.827 -17.011 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.182 15.772 -17.198 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.543 17.914 -16.846 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.636 17.620 -15.840 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.751 19.910 -15.381 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.428 19.626 -14.388 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.237 20.783 -14.176 1.00 0.00 H new ATOM 695 N PRO A 51 -0.955 14.365 -19.707 1.00 0.00 N ATOM 696 CA PRO A 51 -1.562 13.245 -20.428 1.00 0.00 C ATOM 697 C PRO A 51 -2.997 12.988 -19.944 1.00 0.00 C ATOM 698 O PRO A 51 -3.946 13.289 -20.667 1.00 0.00 O ATOM 699 CB PRO A 51 -0.611 12.052 -20.239 1.00 0.00 C ATOM 700 CG PRO A 51 0.729 12.726 -19.949 1.00 0.00 C ATOM 701 CD PRO A 51 0.315 13.953 -19.136 1.00 0.00 C ATOM 0 HA PRO A 51 -1.675 13.449 -21.493 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.927 11.410 -19.417 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.564 11.427 -21.131 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.398 12.074 -19.387 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.250 13.004 -20.865 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.213 13.711 -18.078 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.058 14.747 -19.211 1.00 0.00 H new ATOM 709 N VAL A 52 -3.142 12.445 -18.727 1.00 0.00 N ATOM 710 CA VAL A 52 -4.394 12.135 -18.038 1.00 0.00 C ATOM 711 C VAL A 52 -5.477 11.509 -18.944 1.00 0.00 C ATOM 712 O VAL A 52 -5.155 10.821 -19.914 1.00 0.00 O ATOM 713 CB VAL A 52 -4.874 13.388 -17.255 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.306 13.019 -15.853 1.00 0.00 C ATOM 715 CG2 VAL A 52 -3.851 14.519 -17.117 1.00 0.00 C ATOM 0 H VAL A 52 -2.330 12.195 -18.163 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.194 11.340 -17.320 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.697 13.759 -17.866 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.637 13.914 -15.327 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.126 12.302 -15.902 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.466 12.574 -15.319 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.292 15.342 -16.554 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.970 14.151 -16.592 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.562 14.871 -18.107 1.00 0.00 H new ATOM 725 N ASP A 53 -6.759 11.739 -18.615 1.00 0.00 N ATOM 726 CA ASP A 53 -7.941 11.278 -19.327 1.00 0.00 C ATOM 727 C ASP A 53 -8.791 12.507 -19.669 1.00 0.00 C ATOM 728 O ASP A 53 -9.081 12.740 -20.841 1.00 0.00 O ATOM 729 CB ASP A 53 -8.702 10.270 -18.455 1.00 0.00 C ATOM 730 CG ASP A 53 -10.096 9.932 -18.992 1.00 0.00 C ATOM 731 OD1 ASP A 53 -10.239 9.853 -20.232 1.00 0.00 O ATOM 732 OD2 ASP A 53 -10.999 9.756 -18.145 1.00 0.00 O ATOM 0 H ASP A 53 -7.002 12.288 -17.790 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.677 10.766 -20.252 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.118 9.353 -18.379 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.797 10.672 -17.446 1.00 0.00 H new ATOM 737 N GLY A 54 -9.180 13.288 -18.650 1.00 0.00 N ATOM 738 CA GLY A 54 -9.976 14.500 -18.804 1.00 0.00 C ATOM 739 C GLY A 54 -11.456 14.230 -18.514 1.00 0.00 C ATOM 740 O GLY A 54 -12.001 13.275 -19.067 1.00 0.00 O ATOM 0 H GLY A 54 -8.942 13.085 -17.679 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.605 15.271 -18.128 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.865 14.885 -19.818 1.00 0.00 H new ATOM 744 N PRO A 55 -12.130 15.031 -17.661 1.00 0.00 N ATOM 745 CA PRO A 55 -11.622 16.183 -16.915 1.00 0.00 C ATOM 746 C PRO A 55 -10.575 15.842 -15.847 1.00 0.00 C ATOM 747 O PRO A 55 -10.167 14.693 -15.683 1.00 0.00 O ATOM 748 CB PRO A 55 -12.846 16.827 -16.241 1.00 0.00 C ATOM 749 CG PRO A 55 -14.053 16.210 -16.942 1.00 0.00 C ATOM 750 CD PRO A 55 -13.541 14.839 -17.373 1.00 0.00 C ATOM 0 HA PRO A 55 -11.108 16.843 -17.613 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.862 16.619 -15.171 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.835 17.911 -16.355 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.909 16.128 -16.273 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.372 16.808 -17.796 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.685 14.100 -16.585 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.076 14.477 -18.251 1.00 0.00 H new ATOM 758 N TYR A 56 -10.140 16.886 -15.132 1.00 0.00 N ATOM 759 CA TYR A 56 -9.179 16.905 -14.053 1.00 0.00 C ATOM 760 C TYR A 56 -9.585 18.061 -13.136 1.00 0.00 C ATOM 761 O TYR A 56 -10.348 18.930 -13.561 1.00 0.00 O ATOM 762 CB TYR A 56 -7.799 17.192 -14.680 1.00 0.00 C ATOM 763 CG TYR A 56 -7.741 17.336 -16.197 1.00 0.00 C ATOM 764 CD1 TYR A 56 -8.252 18.495 -16.809 1.00 0.00 C ATOM 765 CD2 TYR A 56 -7.188 16.321 -16.995 1.00 0.00 C ATOM 766 CE1 TYR A 56 -8.217 18.640 -18.206 1.00 0.00 C ATOM 767 CE2 TYR A 56 -7.142 16.465 -18.394 1.00 0.00 C ATOM 768 CZ TYR A 56 -7.664 17.623 -19.002 1.00 0.00 C ATOM 769 OH TYR A 56 -7.629 17.763 -20.360 1.00 0.00 O ATOM 0 H TYR A 56 -10.494 17.823 -15.323 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.143 15.970 -13.495 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.411 18.110 -14.238 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.122 16.388 -14.391 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -8.675 19.280 -16.200 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.797 15.427 -16.533 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -8.615 19.532 -18.667 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.706 15.686 -19.002 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.214 16.971 -20.760 1.00 0.00 H new ATOM 779 N GLN A 57 -9.072 18.087 -11.897 1.00 0.00 N ATOM 780 CA GLN A 57 -9.420 19.124 -10.933 1.00 0.00 C ATOM 781 C GLN A 57 -8.205 19.735 -10.232 1.00 0.00 C ATOM 782 O GLN A 57 -7.182 19.073 -10.067 1.00 0.00 O ATOM 783 CB GLN A 57 -10.367 18.557 -9.880 1.00 0.00 C ATOM 784 CG GLN A 57 -11.450 17.596 -10.370 1.00 0.00 C ATOM 785 CD GLN A 57 -12.537 18.248 -11.218 1.00 0.00 C ATOM 786 OE1 GLN A 57 -12.697 17.922 -12.391 1.00 0.00 O ATOM 787 NE2 GLN A 57 -13.299 19.165 -10.617 1.00 0.00 N ATOM 0 H GLN A 57 -8.412 17.394 -11.544 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.900 19.921 -11.501 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.769 18.040 -9.129 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.856 19.392 -9.379 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.979 16.804 -10.952 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.916 17.123 -9.506 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.132 19.406 -9.640 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.048 19.624 -11.135 1.00 0.00 H new ATOM 796 N GLU A 58 -8.346 21.002 -9.809 1.00 0.00 N ATOM 797 CA GLU A 58 -7.305 21.782 -9.139 1.00 0.00 C ATOM 798 C GLU A 58 -7.302 21.686 -7.614 1.00 0.00 C ATOM 799 O GLU A 58 -8.277 21.275 -7.002 1.00 0.00 O ATOM 800 CB GLU A 58 -7.510 23.267 -9.459 1.00 0.00 C ATOM 801 CG GLU A 58 -7.436 23.564 -10.957 1.00 0.00 C ATOM 802 CD GLU A 58 -6.918 24.982 -11.189 1.00 0.00 C ATOM 803 OE1 GLU A 58 -7.670 25.931 -10.877 1.00 0.00 O ATOM 804 OE2 GLU A 58 -5.767 25.088 -11.666 1.00 0.00 O ATOM 0 H GLU A 58 -9.215 21.523 -9.930 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.367 21.367 -9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.480 23.586 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.753 23.854 -8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.779 22.845 -11.446 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.423 23.451 -11.407 1.00 0.00 H new ATOM 811 N PHE A 59 -6.178 22.058 -6.989 1.00 0.00 N ATOM 812 CA PHE A 59 -6.039 22.087 -5.541 1.00 0.00 C ATOM 813 C PHE A 59 -4.849 22.981 -5.203 1.00 0.00 C ATOM 814 O PHE A 59 -3.718 22.494 -5.229 1.00 0.00 O ATOM 815 CB PHE A 59 -5.904 20.691 -4.932 1.00 0.00 C ATOM 816 CG PHE A 59 -6.148 20.739 -3.435 1.00 0.00 C ATOM 817 CD1 PHE A 59 -5.118 21.104 -2.549 1.00 0.00 C ATOM 818 CD2 PHE A 59 -7.423 20.431 -2.925 1.00 0.00 C ATOM 819 CE1 PHE A 59 -5.370 21.163 -1.168 1.00 0.00 C ATOM 820 CE2 PHE A 59 -7.669 20.463 -1.545 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.642 20.830 -0.666 1.00 0.00 C ATOM 0 H PHE A 59 -5.336 22.349 -7.486 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.948 22.496 -5.099 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.617 20.013 -5.401 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.908 20.295 -5.132 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.135 21.339 -2.930 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.220 20.167 -3.604 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.585 21.465 -0.490 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.645 20.206 -1.162 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.826 20.857 0.398 1.00 0.00 H new ATOM 831 N PRO A 60 -5.027 24.276 -4.894 1.00 0.00 N ATOM 832 CA PRO A 60 -3.904 25.127 -4.605 1.00 0.00 C ATOM 833 C PRO A 60 -3.194 24.749 -3.295 1.00 0.00 C ATOM 834 O PRO A 60 -3.864 24.549 -2.282 1.00 0.00 O ATOM 835 CB PRO A 60 -4.445 26.548 -4.609 1.00 0.00 C ATOM 836 CG PRO A 60 -5.867 26.355 -4.095 1.00 0.00 C ATOM 837 CD PRO A 60 -6.239 25.063 -4.817 1.00 0.00 C ATOM 0 HA PRO A 60 -3.122 25.015 -5.356 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.865 27.206 -3.962 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.429 26.987 -5.607 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.907 26.252 -3.011 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.522 27.184 -4.361 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.018 24.526 -4.276 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.630 25.273 -5.813 1.00 0.00 H new ATOM 845 N ILE A 61 -1.853 24.642 -3.309 1.00 0.00 N ATOM 846 CA ILE A 61 -1.043 24.305 -2.144 1.00 0.00 C ATOM 847 C ILE A 61 -0.385 25.528 -1.548 1.00 0.00 C ATOM 848 O ILE A 61 -0.507 26.665 -2.004 1.00 0.00 O ATOM 849 CB ILE A 61 0.001 23.227 -2.462 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.741 22.435 -1.359 1.00 0.00 C ATOM 851 CG2 ILE A 61 0.934 23.642 -3.599 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.039 20.995 -1.795 1.00 0.00 C ATOM 0 H ILE A 61 -1.299 24.792 -4.152 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.725 23.894 -1.400 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.693 22.442 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.675 22.941 -1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.136 22.423 -0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.655 22.846 -3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.350 23.823 -4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.464 24.553 -3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.559 20.472 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.104 20.481 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.666 21.007 -2.687 1.00 0.00 H new ATOM 864 N LYS A 62 0.319 25.168 -0.495 1.00 0.00 N ATOM 865 CA LYS A 62 1.128 26.023 0.370 1.00 0.00 C ATOM 866 C LYS A 62 2.141 25.208 1.175 1.00 0.00 C ATOM 867 O LYS A 62 1.957 24.009 1.385 1.00 0.00 O ATOM 868 CB LYS A 62 0.251 26.947 1.238 1.00 0.00 C ATOM 869 CG LYS A 62 0.429 28.406 0.784 1.00 0.00 C ATOM 870 CD LYS A 62 -0.530 29.343 1.523 1.00 0.00 C ATOM 871 CE LYS A 62 -0.427 30.795 1.038 1.00 0.00 C ATOM 872 NZ LYS A 62 0.893 31.379 1.329 1.00 0.00 N ATOM 0 H LYS A 62 0.347 24.194 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 62 1.716 26.686 -0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.796 26.655 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.527 26.846 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.457 28.721 0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.255 28.478 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.553 28.990 1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.318 29.305 2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.612 30.833 -0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.202 31.393 1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.899 32.380 1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.089 31.305 2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.625 30.865 0.798 1.00 0.00 H new ATOM 886 N SER A 63 3.211 25.875 1.630 1.00 0.00 N ATOM 887 CA SER A 63 4.303 25.278 2.388 1.00 0.00 C ATOM 888 C SER A 63 4.010 25.295 3.887 1.00 0.00 C ATOM 889 O SER A 63 4.746 25.890 4.674 1.00 0.00 O ATOM 890 CB SER A 63 5.624 25.972 2.028 1.00 0.00 C ATOM 891 OG SER A 63 5.550 27.361 2.267 1.00 0.00 O ATOM 0 H SER A 63 3.338 26.875 1.472 1.00 0.00 H new ATOM 0 HA SER A 63 4.400 24.227 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.436 25.542 2.614 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.859 25.792 0.979 1.00 0.00 H new ATOM 0 HG SER A 63 5.338 27.520 3.210 1.00 0.00 H new ATOM 897 N GLY A 64 2.914 24.637 4.268 1.00 0.00 N ATOM 898 CA GLY A 64 2.496 24.521 5.653 1.00 0.00 C ATOM 899 C GLY A 64 1.337 23.537 5.811 1.00 0.00 C ATOM 900 O GLY A 64 0.520 23.710 6.712 1.00 0.00 O ATOM 0 H GLY A 64 2.290 24.167 3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.338 24.192 6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.196 25.500 6.026 1.00 0.00 H new ATOM 904 N GLY A 65 1.274 22.507 4.953 1.00 0.00 N ATOM 905 CA GLY A 65 0.224 21.500 4.969 1.00 0.00 C ATOM 906 C GLY A 65 -0.832 21.753 3.889 1.00 0.00 C ATOM 907 O GLY A 65 -0.748 22.718 3.129 1.00 0.00 O ATOM 0 H GLY A 65 1.967 22.356 4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.665 20.514 4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.254 21.491 5.948 1.00 0.00 H new ATOM 911 N VAL A 66 -1.833 20.865 3.841 1.00 0.00 N ATOM 912 CA VAL A 66 -2.934 20.895 2.888 1.00 0.00 C ATOM 913 C VAL A 66 -3.934 22.012 3.217 1.00 0.00 C ATOM 914 O VAL A 66 -4.356 22.142 4.365 1.00 0.00 O ATOM 915 CB VAL A 66 -3.582 19.495 2.828 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.252 19.060 4.142 1.00 0.00 C ATOM 917 CG2 VAL A 66 -4.613 19.402 1.700 1.00 0.00 C ATOM 0 H VAL A 66 -1.895 20.081 4.490 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.556 21.134 1.894 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.751 18.816 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.684 18.067 4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.509 19.037 4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.039 19.768 4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.049 18.403 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.399 20.139 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.126 19.598 0.745 1.00 0.00 H new ATOM 927 N TYR A 67 -4.294 22.809 2.198 1.00 0.00 N ATOM 928 CA TYR A 67 -5.239 23.925 2.235 1.00 0.00 C ATOM 929 C TYR A 67 -5.154 24.775 3.508 1.00 0.00 C ATOM 930 O TYR A 67 -5.929 24.580 4.444 1.00 0.00 O ATOM 931 CB TYR A 67 -6.662 23.409 1.962 1.00 0.00 C ATOM 932 CG TYR A 67 -7.769 24.435 2.137 1.00 0.00 C ATOM 933 CD1 TYR A 67 -7.787 25.597 1.345 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.783 24.223 3.091 1.00 0.00 C ATOM 935 CE1 TYR A 67 -8.803 26.553 1.519 1.00 0.00 C ATOM 936 CE2 TYR A 67 -9.799 25.178 3.264 1.00 0.00 C ATOM 937 CZ TYR A 67 -9.803 26.348 2.486 1.00 0.00 C ATOM 938 OH TYR A 67 -10.782 27.279 2.666 1.00 0.00 O ATOM 0 H TYR A 67 -3.903 22.677 1.265 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.955 24.614 1.440 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.702 23.025 0.943 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.860 22.568 2.627 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.019 25.755 0.602 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.780 23.325 3.691 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.815 27.445 0.910 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -10.577 25.013 3.995 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.392 26.980 3.372 1.00 0.00 H new ATOM 948 N THR A 68 -4.202 25.712 3.537 1.00 0.00 N ATOM 949 CA THR A 68 -3.990 26.626 4.650 1.00 0.00 C ATOM 950 C THR A 68 -3.183 27.831 4.171 1.00 0.00 C ATOM 951 O THR A 68 -2.105 27.662 3.604 1.00 0.00 O ATOM 952 CB THR A 68 -3.378 25.921 5.867 1.00 0.00 C ATOM 953 OG1 THR A 68 -3.041 26.877 6.851 1.00 0.00 O ATOM 954 CG2 THR A 68 -2.146 25.106 5.499 1.00 0.00 C ATOM 0 H THR A 68 -3.546 25.855 2.769 1.00 0.00 H new ATOM 0 HA THR A 68 -4.954 26.994 5.001 1.00 0.00 H new ATOM 0 HB THR A 68 -4.125 25.229 6.257 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.652 26.424 7.628 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.748 24.625 6.392 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.418 24.345 4.768 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.389 25.764 5.073 1.00 0.00 H new ATOM 962 N GLY A 69 -3.709 29.044 4.391 1.00 0.00 N ATOM 963 CA GLY A 69 -3.058 30.284 4.006 1.00 0.00 C ATOM 964 C GLY A 69 -4.055 31.438 3.987 1.00 0.00 C ATOM 965 O GLY A 69 -4.147 32.189 4.956 1.00 0.00 O ATOM 0 H GLY A 69 -4.610 29.183 4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.250 30.507 4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.606 30.172 3.020 1.00 0.00 H new ATOM 969 N GLY A 70 -4.792 31.573 2.876 1.00 0.00 N ATOM 970 CA GLY A 70 -5.775 32.627 2.687 1.00 0.00 C ATOM 971 C GLY A 70 -5.978 32.927 1.201 1.00 0.00 C ATOM 972 O GLY A 70 -7.096 32.819 0.700 1.00 0.00 O ATOM 0 H GLY A 70 -4.715 30.941 2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.723 32.329 3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.449 33.530 3.203 1.00 0.00 H new ATOM 976 N SER A 71 -4.893 33.304 0.509 1.00 0.00 N ATOM 977 CA SER A 71 -4.904 33.649 -0.907 1.00 0.00 C ATOM 978 C SER A 71 -3.680 33.056 -1.614 1.00 0.00 C ATOM 979 O SER A 71 -2.629 33.695 -1.641 1.00 0.00 O ATOM 980 CB SER A 71 -4.932 35.177 -1.053 1.00 0.00 C ATOM 981 OG SER A 71 -6.097 35.709 -0.460 1.00 0.00 O ATOM 0 H SER A 71 -3.968 33.377 0.933 1.00 0.00 H new ATOM 0 HA SER A 71 -5.794 33.229 -1.376 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.048 35.609 -0.584 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.898 35.448 -2.108 1.00 0.00 H new ATOM 0 HG SER A 71 -6.099 36.684 -0.560 1.00 0.00 H new ATOM 987 N PRO A 72 -3.800 31.850 -2.201 1.00 0.00 N ATOM 988 CA PRO A 72 -2.802 31.272 -3.094 1.00 0.00 C ATOM 989 C PRO A 72 -2.379 32.263 -4.182 1.00 0.00 C ATOM 990 O PRO A 72 -3.228 32.962 -4.734 1.00 0.00 O ATOM 991 CB PRO A 72 -3.462 30.029 -3.695 1.00 0.00 C ATOM 992 CG PRO A 72 -4.443 29.606 -2.602 1.00 0.00 C ATOM 993 CD PRO A 72 -4.927 30.947 -2.051 1.00 0.00 C ATOM 0 HA PRO A 72 -1.887 31.020 -2.558 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.972 30.254 -4.631 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.733 29.247 -3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.265 29.012 -3.002 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.959 29.003 -1.834 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.796 31.308 -2.601 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.225 30.859 -1.006 1.00 0.00 H new ATOM 1001 N GLY A 73 -1.075 32.311 -4.491 1.00 0.00 N ATOM 1002 CA GLY A 73 -0.511 33.222 -5.479 1.00 0.00 C ATOM 1003 C GLY A 73 0.282 32.554 -6.600 1.00 0.00 C ATOM 1004 O GLY A 73 0.447 33.178 -7.650 1.00 0.00 O ATOM 0 H GLY A 73 -0.379 31.708 -4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.322 33.799 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.140 33.930 -4.967 1.00 0.00 H new ATOM 1008 N ALA A 74 0.777 31.317 -6.419 1.00 0.00 N ATOM 1009 CA ALA A 74 1.563 30.663 -7.459 1.00 0.00 C ATOM 1010 C ALA A 74 1.487 29.140 -7.444 1.00 0.00 C ATOM 1011 O ALA A 74 1.059 28.558 -8.436 1.00 0.00 O ATOM 1012 CB ALA A 74 3.025 31.109 -7.344 1.00 0.00 C ATOM 0 H ALA A 74 0.645 30.764 -5.572 1.00 0.00 H new ATOM 0 HA ALA A 74 1.128 30.972 -8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.616 30.622 -8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.086 32.190 -7.466 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.414 30.832 -6.364 1.00 0.00 H new ATOM 1018 N ASP A 75 1.902 28.506 -6.341 1.00 0.00 N ATOM 1019 CA ASP A 75 1.952 27.059 -6.170 1.00 0.00 C ATOM 1020 C ASP A 75 0.590 26.363 -6.057 1.00 0.00 C ATOM 1021 O ASP A 75 -0.174 26.611 -5.121 1.00 0.00 O ATOM 1022 CB ASP A 75 2.820 26.731 -4.950 1.00 0.00 C ATOM 1023 CG ASP A 75 4.192 27.404 -5.018 1.00 0.00 C ATOM 1024 OD1 ASP A 75 4.279 28.575 -4.591 1.00 0.00 O ATOM 1025 OD2 ASP A 75 5.135 26.728 -5.483 1.00 0.00 O ATOM 0 H ASP A 75 2.223 29.011 -5.515 1.00 0.00 H new ATOM 0 HA ASP A 75 2.386 26.663 -7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.305 27.050 -4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.950 25.651 -4.879 1.00 0.00 H new ATOM 1030 N ARG A 76 0.295 25.476 -7.021 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.940 24.709 -7.053 1.00 0.00 C ATOM 1032 C ARG A 76 -0.732 23.310 -7.637 1.00 0.00 C ATOM 1033 O ARG A 76 -0.203 23.165 -8.738 1.00 0.00 O ATOM 1034 CB ARG A 76 -2.066 25.471 -7.777 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.688 25.988 -9.170 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.891 26.042 -10.121 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.882 27.045 -9.703 1.00 0.00 N ATOM 1038 CZ ARG A 76 -4.658 27.785 -10.517 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.534 27.745 -11.854 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -5.590 28.584 -9.977 1.00 0.00 N ATOM 0 H ARG A 76 0.919 25.276 -7.803 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.257 24.575 -6.019 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.931 24.815 -7.869 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.371 26.316 -7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.255 26.984 -9.080 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.919 25.344 -9.597 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.546 26.272 -11.129 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.364 25.061 -10.162 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.992 27.194 -8.700 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.834 27.140 -12.283 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.140 28.320 -12.440 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.702 28.624 -8.964 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.186 29.151 -10.579 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.140 22.275 -6.882 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.052 20.890 -7.327 1.00 0.00 C ATOM 1056 C VAL A 77 -2.377 20.599 -8.024 1.00 0.00 C ATOM 1057 O VAL A 77 -3.410 21.158 -7.654 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.746 19.888 -6.201 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.638 20.142 -5.598 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.787 19.877 -5.079 1.00 0.00 C ATOM 0 H VAL A 77 -1.538 22.384 -5.949 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.204 20.765 -8.001 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.776 18.909 -6.678 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.827 19.419 -4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.397 20.038 -6.373 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.676 21.151 -5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.500 19.145 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.842 20.866 -4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.761 19.612 -5.489 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.351 19.727 -9.032 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.534 19.393 -9.812 1.00 0.00 C ATOM 1072 C VAL A 78 -3.615 17.874 -9.979 1.00 0.00 C ATOM 1073 O VAL A 78 -2.603 17.216 -10.221 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.482 20.200 -11.124 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.667 19.906 -12.056 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.458 21.712 -10.796 1.00 0.00 C ATOM 0 H VAL A 78 -1.508 19.235 -9.328 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.463 19.673 -9.315 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.575 19.899 -11.648 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.574 20.504 -12.963 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.670 18.848 -12.318 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.599 20.157 -11.550 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.421 22.285 -11.723 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.357 21.978 -10.240 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.579 21.940 -10.194 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.837 17.338 -9.831 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.161 15.920 -9.911 1.00 0.00 C ATOM 1088 C ILE A 79 -6.121 15.610 -11.069 1.00 0.00 C ATOM 1089 O ILE A 79 -6.511 16.490 -11.835 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.752 15.462 -8.556 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.108 16.115 -8.233 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.787 15.725 -7.394 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.937 15.185 -7.339 1.00 0.00 C ATOM 0 H ILE A 79 -5.657 17.914 -9.644 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.246 15.365 -10.117 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.909 14.389 -8.667 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.951 17.070 -7.732 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.649 16.324 -9.156 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.240 15.389 -6.461 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.858 15.181 -7.562 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.576 16.792 -7.331 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.895 15.654 -7.115 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.108 14.241 -7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.398 14.998 -6.410 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.490 14.328 -11.156 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.394 13.691 -12.097 1.00 0.00 C ATOM 1107 C ASN A 80 -8.807 13.895 -11.569 1.00 0.00 C ATOM 1108 O ASN A 80 -9.000 14.478 -10.502 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.101 12.176 -12.152 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.851 11.842 -12.958 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -4.760 12.330 -12.667 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -6.020 11.009 -13.990 1.00 0.00 N ATOM 0 H ASN A 80 -6.119 13.646 -10.495 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.274 14.115 -13.094 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.985 11.797 -11.137 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.957 11.661 -12.589 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.224 10.753 -14.575 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.945 10.629 -14.193 1.00 0.00 H new ATOM 1119 N THR A 81 -9.799 13.401 -12.319 1.00 0.00 N ATOM 1120 CA THR A 81 -11.192 13.511 -11.932 1.00 0.00 C ATOM 1121 C THR A 81 -11.703 12.344 -11.107 1.00 0.00 C ATOM 1122 O THR A 81 -12.905 12.081 -11.098 1.00 0.00 O ATOM 1123 CB THR A 81 -12.057 13.878 -13.144 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.350 14.304 -12.769 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.151 12.688 -14.095 1.00 0.00 C ATOM 0 H THR A 81 -9.650 12.918 -13.205 1.00 0.00 H new ATOM 0 HA THR A 81 -11.274 14.340 -11.229 1.00 0.00 H new ATOM 0 HB THR A 81 -11.575 14.715 -13.649 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.670 13.758 -12.021 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.767 12.956 -14.953 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.152 12.415 -14.436 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.601 11.842 -13.576 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.803 11.643 -10.407 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.215 10.549 -9.562 1.00 0.00 C ATOM 1135 C ASN A 82 -10.374 10.616 -8.306 1.00 0.00 C ATOM 1136 O ASN A 82 -10.901 10.861 -7.219 1.00 0.00 O ATOM 1137 CB ASN A 82 -11.078 9.200 -10.289 1.00 0.00 C ATOM 1138 CG ASN A 82 -11.975 9.121 -11.521 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -13.150 8.772 -11.414 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -11.421 9.445 -12.693 1.00 0.00 N ATOM 0 H ASN A 82 -9.799 11.822 -10.417 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.270 10.633 -9.303 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.040 9.052 -10.586 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -11.331 8.391 -9.604 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.977 9.409 -13.547 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.442 9.729 -12.733 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.065 10.405 -8.477 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.145 10.388 -7.346 1.00 0.00 C ATOM 1149 C CYS A 83 -6.646 10.531 -7.615 1.00 0.00 C ATOM 1150 O CYS A 83 -5.909 10.914 -6.707 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.374 9.119 -6.506 1.00 0.00 C ATOM 1152 SG CYS A 83 -8.118 9.310 -4.720 1.00 0.00 S ATOM 0 H CYS A 83 -8.625 10.245 -9.383 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.402 11.311 -6.826 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.393 8.772 -6.674 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.707 8.338 -6.870 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.187 10.242 -8.839 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.751 10.256 -9.147 1.00 0.00 C ATOM 1159 C GLU A 84 -4.159 11.641 -9.394 1.00 0.00 C ATOM 1160 O GLU A 84 -4.849 12.531 -9.848 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.474 9.271 -10.297 1.00 0.00 C ATOM 1162 CG GLU A 84 -2.991 9.068 -10.665 1.00 0.00 C ATOM 1163 CD GLU A 84 -2.116 8.554 -9.518 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -2.140 7.326 -9.291 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -1.427 9.387 -8.890 1.00 0.00 O ATOM 0 H GLU A 84 -6.785 9.997 -9.628 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.226 9.925 -8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.898 8.303 -10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.004 9.619 -11.184 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.929 8.365 -11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.585 10.016 -11.019 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.871 11.822 -9.078 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.104 13.051 -9.260 1.00 0.00 C ATOM 1174 C TYR A 85 -1.771 13.194 -10.748 1.00 0.00 C ATOM 1175 O TYR A 85 -1.342 12.227 -11.377 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.846 12.967 -8.375 1.00 0.00 C ATOM 1177 CG TYR A 85 0.309 13.899 -8.719 1.00 0.00 C ATOM 1178 CD1 TYR A 85 1.158 13.588 -9.800 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.551 15.064 -7.962 1.00 0.00 C ATOM 1180 CE1 TYR A 85 2.221 14.439 -10.140 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.613 15.919 -8.308 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.448 15.607 -9.394 1.00 0.00 C ATOM 1183 OH TYR A 85 3.485 16.431 -9.725 1.00 0.00 O ATOM 0 H TYR A 85 -2.311 11.075 -8.668 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.665 13.936 -8.960 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.144 13.163 -7.345 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.476 11.942 -8.410 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.989 12.687 -10.372 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.079 15.300 -7.117 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.863 14.196 -10.974 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.787 16.819 -7.737 1.00 0.00 H new ATOM 0 HH TYR A 85 3.654 16.373 -10.688 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.958 14.400 -11.302 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.703 14.699 -12.704 1.00 0.00 C ATOM 1195 C ALA A 86 -0.379 15.443 -12.853 1.00 0.00 C ATOM 1196 O ALA A 86 0.480 15.017 -13.623 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.863 15.508 -13.288 1.00 0.00 C ATOM 0 H ALA A 86 -2.297 15.204 -10.773 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.627 13.765 -13.261 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.662 15.726 -14.337 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.785 14.932 -13.207 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.969 16.442 -12.737 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.210 16.553 -12.120 1.00 0.00 N ATOM 1204 CA GLY A 87 1.005 17.344 -12.193 1.00 0.00 C ATOM 1205 C GLY A 87 0.970 18.542 -11.247 1.00 0.00 C ATOM 1206 O GLY A 87 -0.102 19.052 -10.921 1.00 0.00 O ATOM 0 H GLY A 87 -0.908 16.916 -11.471 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.861 16.715 -11.949 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.148 17.694 -13.215 1.00 0.00 H new ATOM 1210 N ALA A 88 2.159 18.971 -10.805 1.00 0.00 N ATOM 1211 CA ALA A 88 2.369 20.107 -9.921 1.00 0.00 C ATOM 1212 C ALA A 88 2.919 21.252 -10.766 1.00 0.00 C ATOM 1213 O ALA A 88 3.901 21.066 -11.484 1.00 0.00 O ATOM 1214 CB ALA A 88 3.344 19.730 -8.803 1.00 0.00 C ATOM 0 H ALA A 88 3.031 18.513 -11.068 1.00 0.00 H new ATOM 0 HA ALA A 88 1.435 20.410 -9.449 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.494 20.587 -8.147 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.934 18.900 -8.227 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.299 19.434 -9.237 1.00 0.00 H new ATOM 1220 N ILE A 89 2.282 22.428 -10.679 1.00 0.00 N ATOM 1221 CA ILE A 89 2.650 23.623 -11.429 1.00 0.00 C ATOM 1222 C ILE A 89 2.710 24.831 -10.491 1.00 0.00 C ATOM 1223 O ILE A 89 2.100 24.812 -9.422 1.00 0.00 O ATOM 1224 CB ILE A 89 1.680 23.828 -12.614 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.211 23.830 -12.142 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.920 22.756 -13.684 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.802 24.155 -13.244 1.00 0.00 C ATOM 0 H ILE A 89 1.478 22.571 -10.068 1.00 0.00 H new ATOM 0 HA ILE A 89 3.646 23.502 -11.856 1.00 0.00 H new ATOM 0 HB ILE A 89 1.877 24.805 -13.055 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.026 22.852 -11.723 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.101 24.556 -11.337 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.231 22.910 -14.514 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.946 22.826 -14.046 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.754 21.769 -13.253 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.810 24.136 -12.829 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.595 25.146 -13.648 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.723 23.415 -14.040 1.00 0.00 H new ATOM 1239 N THR A 90 3.454 25.880 -10.880 1.00 0.00 N ATOM 1240 CA THR A 90 3.598 27.075 -10.058 1.00 0.00 C ATOM 1241 C THR A 90 4.008 28.342 -10.808 1.00 0.00 C ATOM 1242 O THR A 90 4.665 28.261 -11.846 1.00 0.00 O ATOM 1243 CB THR A 90 4.680 26.812 -8.994 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.769 27.920 -8.125 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.064 26.563 -9.623 1.00 0.00 C ATOM 0 H THR A 90 3.963 25.916 -11.763 1.00 0.00 H new ATOM 0 HA THR A 90 2.606 27.259 -9.644 1.00 0.00 H new ATOM 0 HB THR A 90 4.388 25.915 -8.448 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.035 27.615 -7.232 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.795 26.382 -8.835 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.015 25.693 -10.278 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.363 27.437 -10.202 1.00 0.00 H new ATOM 1253 N HIS A 91 3.599 29.509 -10.275 1.00 0.00 N ATOM 1254 CA HIS A 91 4.020 30.796 -10.836 1.00 0.00 C ATOM 1255 C HIS A 91 5.439 31.157 -10.354 1.00 0.00 C ATOM 1256 O HIS A 91 6.103 31.978 -10.987 1.00 0.00 O ATOM 1257 CB HIS A 91 3.141 32.031 -10.551 1.00 0.00 C ATOM 1258 CG HIS A 91 1.715 32.033 -11.007 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.909 33.153 -10.874 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.927 31.084 -11.597 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.296 32.837 -11.378 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.348 31.585 -11.835 1.00 0.00 N ATOM 0 H HIS A 91 2.984 29.582 -9.465 1.00 0.00 H new ATOM 0 HA HIS A 91 3.943 30.605 -11.906 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.141 32.192 -9.473 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.631 32.894 -11.002 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.250 30.084 -11.844 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.131 33.522 -11.410 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.141 31.105 -12.261 1.00 0.00 H new ATOM 1270 N THR A 92 5.900 30.557 -9.242 1.00 0.00 N ATOM 1271 CA THR A 92 7.193 30.793 -8.609 1.00 0.00 C ATOM 1272 C THR A 92 8.352 30.739 -9.599 1.00 0.00 C ATOM 1273 O THR A 92 9.079 31.716 -9.770 1.00 0.00 O ATOM 1274 CB THR A 92 7.382 29.825 -7.428 1.00 0.00 C ATOM 1275 OG1 THR A 92 6.248 29.858 -6.585 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.601 30.200 -6.580 1.00 0.00 C ATOM 0 H THR A 92 5.347 29.861 -8.742 1.00 0.00 H new ATOM 0 HA THR A 92 7.197 31.811 -8.220 1.00 0.00 H new ATOM 0 HB THR A 92 7.525 28.831 -7.852 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.561 29.254 -6.937 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.702 29.494 -5.756 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.498 30.167 -7.198 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.472 31.206 -6.182 1.00 0.00 H new ATOM 1284 N GLY A 93 8.503 29.589 -10.251 1.00 0.00 N ATOM 1285 CA GLY A 93 9.539 29.350 -11.240 1.00 0.00 C ATOM 1286 C GLY A 93 9.271 30.107 -12.545 1.00 0.00 C ATOM 1287 O GLY A 93 10.215 30.445 -13.258 1.00 0.00 O ATOM 0 H GLY A 93 7.894 28.784 -10.100 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.504 29.655 -10.835 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.603 28.282 -11.447 1.00 0.00 H new ATOM 1291 N ALA A 94 7.994 30.382 -12.853 1.00 0.00 N ATOM 1292 CA ALA A 94 7.574 31.076 -14.065 1.00 0.00 C ATOM 1293 C ALA A 94 8.010 32.543 -14.074 1.00 0.00 C ATOM 1294 O ALA A 94 8.508 33.065 -13.077 1.00 0.00 O ATOM 1295 CB ALA A 94 6.054 30.968 -14.220 1.00 0.00 C ATOM 0 H ALA A 94 7.214 30.120 -12.250 1.00 0.00 H new ATOM 0 HA ALA A 94 8.064 30.594 -14.911 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.743 31.487 -15.126 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.769 29.918 -14.287 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.567 31.422 -13.357 1.00 0.00 H new ATOM 1301 N SER A 95 7.800 33.200 -15.221 1.00 0.00 N ATOM 1302 CA SER A 95 8.153 34.593 -15.448 1.00 0.00 C ATOM 1303 C SER A 95 7.416 35.525 -14.482 1.00 0.00 C ATOM 1304 O SER A 95 8.060 36.308 -13.786 1.00 0.00 O ATOM 1305 CB SER A 95 7.868 34.954 -16.911 1.00 0.00 C ATOM 1306 OG SER A 95 8.280 36.278 -17.181 1.00 0.00 O ATOM 0 H SER A 95 7.368 32.760 -16.033 1.00 0.00 H new ATOM 0 HA SER A 95 9.217 34.726 -15.253 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.391 34.262 -17.571 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.803 34.849 -17.117 1.00 0.00 H new ATOM 0 HG SER A 95 8.094 36.494 -18.119 1.00 0.00 H new ATOM 1312 N GLY A 96 6.079 35.444 -14.440 1.00 0.00 N ATOM 1313 CA GLY A 96 5.266 36.284 -13.573 1.00 0.00 C ATOM 1314 C GLY A 96 3.889 35.661 -13.356 1.00 0.00 C ATOM 1315 O GLY A 96 3.695 34.920 -12.395 1.00 0.00 O ATOM 0 H GLY A 96 5.538 34.792 -15.009 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.766 36.417 -12.614 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.157 37.274 -14.015 1.00 0.00 H new ATOM 1319 N ASN A 97 2.936 35.971 -14.243 1.00 0.00 N ATOM 1320 CA ASN A 97 1.568 35.470 -14.178 1.00 0.00 C ATOM 1321 C ASN A 97 1.451 34.045 -14.733 1.00 0.00 C ATOM 1322 O ASN A 97 0.528 33.322 -14.366 1.00 0.00 O ATOM 1323 CB ASN A 97 0.627 36.425 -14.930 1.00 0.00 C ATOM 1324 CG ASN A 97 0.833 36.385 -16.445 1.00 0.00 C ATOM 1325 OD1 ASN A 97 0.123 35.667 -17.148 1.00 0.00 O ATOM 1326 ND2 ASN A 97 1.799 37.154 -16.955 1.00 0.00 N ATOM 0 H ASN A 97 3.102 36.588 -15.038 1.00 0.00 H new ATOM 0 HA ASN A 97 1.276 35.428 -13.129 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.407 36.165 -14.701 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.787 37.442 -14.572 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.969 37.159 -17.961 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.367 37.736 -16.339 1.00 0.00 H new ATOM 1333 N ASN A 98 2.381 33.644 -15.610 1.00 0.00 N ATOM 1334 CA ASN A 98 2.405 32.333 -16.247 1.00 0.00 C ATOM 1335 C ASN A 98 2.721 31.210 -15.253 1.00 0.00 C ATOM 1336 O ASN A 98 2.887 31.457 -14.061 1.00 0.00 O ATOM 1337 CB ASN A 98 3.410 32.362 -17.409 1.00 0.00 C ATOM 1338 CG ASN A 98 3.131 33.499 -18.392 1.00 0.00 C ATOM 1339 OD1 ASN A 98 1.978 33.848 -18.641 1.00 0.00 O ATOM 1340 ND2 ASN A 98 4.192 34.084 -18.953 1.00 0.00 N ATOM 0 H ASN A 98 3.155 34.242 -15.899 1.00 0.00 H new ATOM 0 HA ASN A 98 1.410 32.114 -16.635 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.419 32.469 -17.011 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.376 31.410 -17.939 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.062 34.850 -19.614 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.133 33.765 -18.720 1.00 0.00 H new ATOM 1347 N PHE A 99 2.800 29.973 -15.764 1.00 0.00 N ATOM 1348 CA PHE A 99 3.068 28.758 -15.004 1.00 0.00 C ATOM 1349 C PHE A 99 4.217 27.945 -15.607 1.00 0.00 C ATOM 1350 O PHE A 99 4.567 28.110 -16.774 1.00 0.00 O ATOM 1351 CB PHE A 99 1.811 27.869 -15.073 1.00 0.00 C ATOM 1352 CG PHE A 99 0.803 28.078 -13.969 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.084 27.553 -12.700 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.401 28.770 -14.190 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.179 27.726 -11.641 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.313 28.944 -13.132 1.00 0.00 C ATOM 1357 CZ PHE A 99 -1.016 28.431 -11.856 1.00 0.00 C ATOM 0 H PHE A 99 2.673 29.791 -16.760 1.00 0.00 H new ATOM 0 HA PHE A 99 3.332 29.049 -13.987 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.317 28.043 -16.029 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.125 26.825 -15.061 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.004 27.011 -12.536 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.625 29.167 -15.169 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.401 27.319 -10.666 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.241 29.471 -13.300 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.708 28.580 -11.041 1.00 0.00 H new ATOM 1367 N VAL A 100 4.789 27.062 -14.773 1.00 0.00 N ATOM 1368 CA VAL A 100 5.859 26.121 -15.096 1.00 0.00 C ATOM 1369 C VAL A 100 5.643 24.888 -14.226 1.00 0.00 C ATOM 1370 O VAL A 100 4.949 24.959 -13.216 1.00 0.00 O ATOM 1371 CB VAL A 100 7.281 26.671 -14.913 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.628 27.688 -15.998 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.529 27.216 -13.506 1.00 0.00 C ATOM 0 H VAL A 100 4.495 26.986 -13.799 1.00 0.00 H new ATOM 0 HA VAL A 100 5.798 25.895 -16.161 1.00 0.00 H new ATOM 0 HB VAL A 100 7.962 25.828 -15.028 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.641 28.058 -15.839 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.564 27.212 -16.977 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.927 28.521 -15.954 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.550 27.591 -13.436 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.830 28.027 -13.301 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.384 26.419 -12.776 1.00 0.00 H new ATOM 1383 N GLY A 101 6.253 23.766 -14.616 1.00 0.00 N ATOM 1384 CA GLY A 101 6.121 22.496 -13.916 1.00 0.00 C ATOM 1385 C GLY A 101 7.175 22.247 -12.836 1.00 0.00 C ATOM 1386 O GLY A 101 8.225 22.889 -12.814 1.00 0.00 O ATOM 0 H GLY A 101 6.858 23.718 -15.436 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.133 22.451 -13.457 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.171 21.688 -14.646 1.00 0.00 H new ATOM 1390 N CYS A 102 6.861 21.305 -11.935 1.00 0.00 N ATOM 1391 CA CYS A 102 7.699 20.858 -10.829 1.00 0.00 C ATOM 1392 C CYS A 102 7.437 19.371 -10.560 1.00 0.00 C ATOM 1393 O CYS A 102 6.404 18.839 -10.958 1.00 0.00 O ATOM 1394 CB CYS A 102 7.534 21.726 -9.577 1.00 0.00 C ATOM 1395 SG CYS A 102 5.887 22.332 -9.109 1.00 0.00 S ATOM 0 H CYS A 102 5.968 20.813 -11.966 1.00 0.00 H new ATOM 0 HA CYS A 102 8.744 20.976 -11.115 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.923 21.156 -8.733 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.179 22.597 -9.698 1.00 0.00 H new ATOM 1400 N SER A 103 8.384 18.717 -9.870 1.00 0.00 N ATOM 1401 CA SER A 103 8.369 17.296 -9.522 1.00 0.00 C ATOM 1402 C SER A 103 8.583 16.433 -10.766 1.00 0.00 C ATOM 1403 O SER A 103 7.740 15.603 -11.107 1.00 0.00 O ATOM 1404 CB SER A 103 7.093 16.900 -8.767 1.00 0.00 C ATOM 1405 OG SER A 103 7.274 15.655 -8.124 1.00 0.00 O ATOM 0 H SER A 103 9.219 19.191 -9.525 1.00 0.00 H new ATOM 0 HA SER A 103 9.200 17.115 -8.840 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.845 17.665 -8.031 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.254 16.841 -9.461 1.00 0.00 H new ATOM 0 HG SER A 103 6.908 15.699 -7.216 1.00 0.00 H new ATOM 1411 N GLY A 104 9.717 16.633 -11.448 1.00 0.00 N ATOM 1412 CA GLY A 104 10.064 15.904 -12.659 1.00 0.00 C ATOM 1413 C GLY A 104 9.056 16.141 -13.790 1.00 0.00 C ATOM 1414 O GLY A 104 8.869 15.262 -14.630 1.00 0.00 O ATOM 0 H GLY A 104 10.422 17.314 -11.166 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.057 16.207 -12.991 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.114 14.838 -12.437 1.00 0.00 H new ATOM 1418 N THR A 105 8.410 17.317 -13.799 1.00 0.00 N ATOM 1419 CA THR A 105 7.433 17.730 -14.796 1.00 0.00 C ATOM 1420 C THR A 105 8.057 18.902 -15.552 1.00 0.00 C ATOM 1421 O THR A 105 8.153 20.003 -15.013 1.00 0.00 O ATOM 1422 CB THR A 105 6.111 18.118 -14.113 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.671 17.058 -13.287 1.00 0.00 O ATOM 1424 CG2 THR A 105 5.018 18.427 -15.142 1.00 0.00 C ATOM 0 H THR A 105 8.565 18.026 -13.083 1.00 0.00 H new ATOM 0 HA THR A 105 7.192 16.925 -15.490 1.00 0.00 H new ATOM 0 HB THR A 105 6.295 19.013 -13.519 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.791 17.305 -12.346 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.097 18.697 -14.625 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.337 19.256 -15.773 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.842 17.547 -15.761 1.00 0.00 H new ATOM 1432 N ASN A 106 8.488 18.651 -16.794 1.00 0.00 N ATOM 1433 CA ASN A 106 9.101 19.646 -17.660 1.00 0.00 C ATOM 1434 C ASN A 106 8.050 20.671 -18.099 1.00 0.00 C ATOM 1435 O ASN A 106 7.960 21.715 -17.417 1.00 0.00 O ATOM 1436 CB ASN A 106 9.761 18.930 -18.846 1.00 0.00 C ATOM 1437 CG ASN A 106 10.421 19.905 -19.820 1.00 0.00 C ATOM 1438 OD1 ASN A 106 11.574 20.288 -19.631 1.00 0.00 O ATOM 1439 ND2 ASN A 106 9.692 20.295 -20.870 1.00 0.00 N ATOM 1440 OXT ASN A 106 7.221 20.301 -18.958 1.00 0.00 O ATOM 0 H ASN A 106 8.416 17.730 -17.227 1.00 0.00 H new ATOM 0 HA ASN A 106 9.877 20.198 -17.129 1.00 0.00 H new ATOM 0 HB2 ASN A 106 10.509 18.230 -18.474 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.011 18.343 -19.376 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.089 20.937 -21.556 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.739 19.951 -20.985 1.00 0.00 H new