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 26 TYR OH : rot -120:sc= 0.962 USER MOD Set 1.2: A 67 TYR OH : rot 180:sc= 0.101 USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 0.00601 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 92 THR OG1 : rot 100:sc= -0.0588 USER MOD Set 3.1: A 5 THR OG1 : rot -46:sc= 0.682 USER MOD Set 3.2: A 10 ASN : amide:sc= 0.527 K(o=1.2,f=0.43) USER MOD Single : A 2 SER OG : rot 40:sc= 0.055 USER MOD Single : A 4 THR OG1 : rot 74:sc= 0.671 USER MOD Single : A 11 TYR OH : rot 70:sc= -0.0744 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00185 X(o=-0.0019,f=-0.0062) USER MOD Single : A 21 ASN : amide:sc=-0.00884 X(o=-0.0088,f=-0.0088) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 27 TYR OH : rot 118:sc= -0.251 USER MOD Single : A 28 GLN : amide:sc= -0.0159 K(o=-0.016,f=-1) USER MOD Single : A 29 ASN : amide:sc= -0.0935 X(o=-0.094,f=-0.094) USER MOD Single : A 32 THR OG1 : rot -76:sc= 0.0667 USER MOD Single : A 35 SER OG : rot 41:sc= 0.421 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 73:sc= 0.62 USER MOD Single : A 38 TYR OH : rot 180:sc= 0.0265 USER MOD Single : A 40 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.52) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0.0097 USER MOD Single : A 43 ASN : amide:sc= -0.0617 X(o=-0.062,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.0039 K(o=0.0039,f=-2) 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 :FLIP amide:sc= -0.143 F(o=-0.65,f=-0.14) USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0111) USER MOD Single : A 63 SER OG : rot -61:sc= 0.0444 USER MOD Single : A 68 THR OG1 : rot 150:sc= -0.331 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.976 K(o=-0.98,f=-2.4) USER MOD Single : A 81 THR OG1 : rot -39:sc= 0.684 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 47:sc= 1.25 USER MOD Single : A 91 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-3.4) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.0143 K(o=-0.014,f=-0.92) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -130:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0799 K(o=-0.08,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 6.556 11.145 -5.127 1.00 0.00 N ATOM 16 CA SER A 2 7.777 11.015 -4.345 1.00 0.00 C ATOM 17 C SER A 2 8.508 12.357 -4.316 1.00 0.00 C ATOM 18 O SER A 2 9.625 12.472 -4.820 1.00 0.00 O ATOM 19 CB SER A 2 8.642 9.886 -4.922 1.00 0.00 C ATOM 20 OG SER A 2 7.949 8.659 -4.840 1.00 0.00 O ATOM 0 HA SER A 2 7.543 10.748 -3.314 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.893 10.103 -5.960 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.582 9.820 -4.374 1.00 0.00 H new ATOM 0 HG SER A 2 7.003 8.802 -5.053 1.00 0.00 H new ATOM 26 N ALA A 3 7.846 13.362 -3.726 1.00 0.00 N ATOM 27 CA ALA A 3 8.316 14.731 -3.544 1.00 0.00 C ATOM 28 C ALA A 3 8.359 15.514 -4.855 1.00 0.00 C ATOM 29 O ALA A 3 8.478 14.933 -5.934 1.00 0.00 O ATOM 30 CB ALA A 3 9.666 14.762 -2.820 1.00 0.00 C ATOM 0 H ALA A 3 6.911 13.226 -3.341 1.00 0.00 H new ATOM 0 HA ALA A 3 7.587 15.235 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.990 15.796 -2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.564 14.297 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.406 14.216 -3.406 1.00 0.00 H new ATOM 36 N THR A 4 8.251 16.843 -4.748 1.00 0.00 N ATOM 37 CA THR A 4 8.293 17.735 -5.894 1.00 0.00 C ATOM 38 C THR A 4 8.814 19.105 -5.458 1.00 0.00 C ATOM 39 O THR A 4 8.261 19.722 -4.551 1.00 0.00 O ATOM 40 CB THR A 4 6.928 17.793 -6.609 1.00 0.00 C ATOM 41 OG1 THR A 4 7.095 18.414 -7.865 1.00 0.00 O ATOM 42 CG2 THR A 4 5.833 18.549 -5.843 1.00 0.00 C ATOM 0 H THR A 4 8.132 17.324 -3.857 1.00 0.00 H new ATOM 0 HA THR A 4 8.990 17.346 -6.636 1.00 0.00 H new ATOM 0 HB THR A 4 6.593 16.759 -6.693 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.550 17.798 -8.477 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.910 18.538 -6.422 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.663 18.067 -4.880 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.147 19.580 -5.682 1.00 0.00 H new ATOM 50 N THR A 5 9.892 19.588 -6.086 1.00 0.00 N ATOM 51 CA THR A 5 10.487 20.855 -5.815 1.00 0.00 C ATOM 52 C THR A 5 9.916 21.807 -6.862 1.00 0.00 C ATOM 53 O THR A 5 10.237 21.694 -8.045 1.00 0.00 O ATOM 54 CB THR A 5 12.000 20.639 -5.924 1.00 0.00 C ATOM 55 OG1 THR A 5 12.486 19.972 -4.778 1.00 0.00 O ATOM 56 CG2 THR A 5 12.706 21.962 -6.104 1.00 0.00 C ATOM 0 H THR A 5 10.375 19.070 -6.820 1.00 0.00 H new ATOM 0 HA THR A 5 10.283 21.277 -4.831 1.00 0.00 H new ATOM 0 HB THR A 5 12.201 20.017 -6.796 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.116 20.392 -3.974 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.780 21.794 -6.180 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.349 22.444 -7.014 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.499 22.604 -5.248 1.00 0.00 H new ATOM 64 N CYS A 6 9.058 22.735 -6.425 1.00 0.00 N ATOM 65 CA CYS A 6 8.448 23.738 -7.282 1.00 0.00 C ATOM 66 C CYS A 6 9.412 24.926 -7.319 1.00 0.00 C ATOM 67 O CYS A 6 9.084 26.028 -6.880 1.00 0.00 O ATOM 68 CB CYS A 6 7.040 24.076 -6.770 1.00 0.00 C ATOM 69 SG CYS A 6 5.796 22.778 -7.003 1.00 0.00 S ATOM 0 H CYS A 6 8.768 22.805 -5.450 1.00 0.00 H new ATOM 0 HA CYS A 6 8.297 23.390 -8.304 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.104 24.308 -5.707 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.696 24.980 -7.273 1.00 0.00 H new ATOM 74 N GLY A 7 10.610 24.660 -7.862 1.00 0.00 N ATOM 75 CA GLY A 7 11.711 25.593 -7.997 1.00 0.00 C ATOM 76 C GLY A 7 12.293 25.879 -6.619 1.00 0.00 C ATOM 77 O GLY A 7 13.184 25.165 -6.163 1.00 0.00 O ATOM 0 H GLY A 7 10.836 23.738 -8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.478 25.177 -8.650 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.366 26.518 -8.459 1.00 0.00 H new ATOM 81 N SER A 8 11.778 26.928 -5.967 1.00 0.00 N ATOM 82 CA SER A 8 12.187 27.350 -4.637 1.00 0.00 C ATOM 83 C SER A 8 11.284 26.702 -3.587 1.00 0.00 C ATOM 84 O SER A 8 11.776 26.155 -2.602 1.00 0.00 O ATOM 85 CB SER A 8 12.138 28.881 -4.555 1.00 0.00 C ATOM 86 OG SER A 8 10.860 29.368 -4.917 1.00 0.00 O ATOM 0 H SER A 8 11.047 27.517 -6.366 1.00 0.00 H new ATOM 0 HA SER A 8 13.210 27.029 -4.440 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.380 29.202 -3.542 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.894 29.308 -5.214 1.00 0.00 H new ATOM 0 HG SER A 8 10.853 30.346 -4.855 1.00 0.00 H new ATOM 92 N THR A 9 9.964 26.773 -3.808 1.00 0.00 N ATOM 93 CA THR A 9 8.933 26.215 -2.948 1.00 0.00 C ATOM 94 C THR A 9 9.050 24.687 -2.991 1.00 0.00 C ATOM 95 O THR A 9 8.580 24.057 -3.932 1.00 0.00 O ATOM 96 CB THR A 9 7.570 26.729 -3.451 1.00 0.00 C ATOM 97 OG1 THR A 9 7.550 28.142 -3.408 1.00 0.00 O ATOM 98 CG2 THR A 9 6.393 26.203 -2.627 1.00 0.00 C ATOM 0 H THR A 9 9.578 27.242 -4.627 1.00 0.00 H new ATOM 0 HA THR A 9 9.042 26.522 -1.908 1.00 0.00 H new ATOM 0 HB THR A 9 7.455 26.362 -4.471 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.683 28.467 -3.730 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.461 26.600 -3.030 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.374 25.114 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.504 26.520 -1.590 1.00 0.00 H new ATOM 106 N ASN A 10 9.675 24.082 -1.976 1.00 0.00 N ATOM 107 CA ASN A 10 9.875 22.640 -1.910 1.00 0.00 C ATOM 108 C ASN A 10 8.698 21.929 -1.241 1.00 0.00 C ATOM 109 O ASN A 10 8.052 22.490 -0.359 1.00 0.00 O ATOM 110 CB ASN A 10 11.193 22.350 -1.181 1.00 0.00 C ATOM 111 CG ASN A 10 11.484 20.853 -1.092 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.997 20.263 -2.039 1.00 0.00 O ATOM 113 ND2 ASN A 10 11.152 20.235 0.046 1.00 0.00 N ATOM 0 H ASN A 10 10.057 24.586 -1.175 1.00 0.00 H new ATOM 0 HA ASN A 10 9.931 22.247 -2.925 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.011 22.847 -1.701 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.151 22.771 -0.176 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.323 19.235 0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.728 20.763 0.808 1.00 0.00 H new ATOM 120 N TYR A 11 8.432 20.688 -1.680 1.00 0.00 N ATOM 121 CA TYR A 11 7.373 19.846 -1.146 1.00 0.00 C ATOM 122 C TYR A 11 7.854 18.415 -0.945 1.00 0.00 C ATOM 123 O TYR A 11 8.518 17.839 -1.805 1.00 0.00 O ATOM 124 CB TYR A 11 6.136 19.853 -2.048 1.00 0.00 C ATOM 125 CG TYR A 11 5.433 21.187 -2.087 1.00 0.00 C ATOM 126 CD1 TYR A 11 4.835 21.660 -0.911 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.373 21.952 -3.266 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.177 22.892 -0.906 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.706 23.190 -3.260 1.00 0.00 C ATOM 130 CZ TYR A 11 4.108 23.659 -2.075 1.00 0.00 C ATOM 131 OH TYR A 11 3.469 24.862 -2.039 1.00 0.00 O ATOM 0 H TYR A 11 8.962 20.243 -2.429 1.00 0.00 H new ATOM 0 HA TYR A 11 7.096 20.264 -0.178 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.431 19.576 -3.060 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.437 19.092 -1.700 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.883 21.071 -0.007 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.837 21.590 -4.172 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.720 23.254 0.003 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.653 23.780 -4.163 1.00 0.00 H new ATOM 0 HH TYR A 11 3.997 25.497 -1.512 1.00 0.00 H new ATOM 141 N SER A 12 7.484 17.870 0.216 1.00 0.00 N ATOM 142 CA SER A 12 7.770 16.521 0.668 1.00 0.00 C ATOM 143 C SER A 12 6.752 15.581 0.060 1.00 0.00 C ATOM 144 O SER A 12 5.622 15.981 -0.213 1.00 0.00 O ATOM 145 CB SER A 12 7.697 16.488 2.197 1.00 0.00 C ATOM 146 OG SER A 12 8.715 17.297 2.747 1.00 0.00 O ATOM 0 H SER A 12 6.944 18.397 0.902 1.00 0.00 H new ATOM 0 HA SER A 12 8.767 16.209 0.358 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.721 16.841 2.530 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.804 15.463 2.552 1.00 0.00 H new ATOM 0 HG SER A 12 8.660 17.272 3.725 1.00 0.00 H new ATOM 152 N ALA A 13 7.172 14.328 -0.159 1.00 0.00 N ATOM 153 CA ALA A 13 6.300 13.289 -0.680 1.00 0.00 C ATOM 154 C ALA A 13 5.090 13.162 0.250 1.00 0.00 C ATOM 155 O ALA A 13 4.036 12.681 -0.161 1.00 0.00 O ATOM 156 CB ALA A 13 7.068 11.967 -0.731 1.00 0.00 C ATOM 0 H ALA A 13 8.126 14.015 0.022 1.00 0.00 H new ATOM 0 HA ALA A 13 5.963 13.539 -1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.418 11.184 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.936 12.076 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.397 11.699 0.273 1.00 0.00 H new ATOM 162 N SER A 14 5.256 13.619 1.502 1.00 0.00 N ATOM 163 CA SER A 14 4.214 13.589 2.512 1.00 0.00 C ATOM 164 C SER A 14 3.158 14.651 2.190 1.00 0.00 C ATOM 165 O SER A 14 1.966 14.356 2.223 1.00 0.00 O ATOM 166 CB SER A 14 4.827 13.777 3.904 1.00 0.00 C ATOM 167 OG SER A 14 5.487 15.019 4.018 1.00 0.00 O ATOM 0 H SER A 14 6.132 14.022 1.834 1.00 0.00 H new ATOM 0 HA SER A 14 3.717 12.619 2.509 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.044 13.710 4.659 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.532 12.970 4.104 1.00 0.00 H new ATOM 0 HG SER A 14 5.865 15.107 4.918 1.00 0.00 H new ATOM 173 N GLN A 15 3.593 15.879 1.867 1.00 0.00 N ATOM 174 CA GLN A 15 2.732 17.006 1.548 1.00 0.00 C ATOM 175 C GLN A 15 2.013 16.800 0.210 1.00 0.00 C ATOM 176 O GLN A 15 0.839 17.154 0.086 1.00 0.00 O ATOM 177 CB GLN A 15 3.558 18.298 1.586 1.00 0.00 C ATOM 178 CG GLN A 15 2.678 19.555 1.629 1.00 0.00 C ATOM 179 CD GLN A 15 2.084 19.835 3.009 1.00 0.00 C ATOM 180 OE1 GLN A 15 0.983 19.386 3.320 1.00 0.00 O ATOM 181 NE2 GLN A 15 2.813 20.590 3.836 1.00 0.00 N ATOM 0 H GLN A 15 4.585 16.112 1.822 1.00 0.00 H new ATOM 0 HA GLN A 15 1.944 17.086 2.297 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.209 18.284 2.460 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.203 18.339 0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.270 20.415 1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.868 19.447 0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.722 20.942 3.537 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.460 20.814 4.766 1.00 0.00 H new ATOM 190 N VAL A 16 2.714 16.225 -0.779 1.00 0.00 N ATOM 191 CA VAL A 16 2.172 15.934 -2.108 1.00 0.00 C ATOM 192 C VAL A 16 0.957 15.022 -1.913 1.00 0.00 C ATOM 193 O VAL A 16 -0.135 15.320 -2.395 1.00 0.00 O ATOM 194 CB VAL A 16 3.218 15.245 -3.009 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.584 14.774 -4.325 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.350 16.213 -3.363 1.00 0.00 C ATOM 0 H VAL A 16 3.689 15.946 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 16 1.891 16.863 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 16 3.606 14.393 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.342 14.292 -4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.785 14.064 -4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.174 15.631 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.076 15.707 -3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.941 17.073 -3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.840 16.550 -2.449 1.00 0.00 H new ATOM 206 N ARG A 17 1.176 13.918 -1.186 1.00 0.00 N ATOM 207 CA ARG A 17 0.188 12.897 -0.876 1.00 0.00 C ATOM 208 C ARG A 17 -0.931 13.434 0.020 1.00 0.00 C ATOM 209 O ARG A 17 -2.073 13.000 -0.122 1.00 0.00 O ATOM 210 CB ARG A 17 0.912 11.708 -0.226 1.00 0.00 C ATOM 211 CG ARG A 17 0.028 10.473 0.025 1.00 0.00 C ATOM 212 CD ARG A 17 -0.316 10.240 1.503 1.00 0.00 C ATOM 213 NE ARG A 17 -1.432 11.072 1.969 1.00 0.00 N ATOM 214 CZ ARG A 17 -1.872 11.121 3.238 1.00 0.00 C ATOM 215 NH1 ARG A 17 -1.261 10.424 4.209 1.00 0.00 N ATOM 216 NH2 ARG A 17 -2.941 11.872 3.539 1.00 0.00 N ATOM 0 H ARG A 17 2.090 13.711 -0.784 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.298 12.574 -1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.747 11.416 -0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.335 12.034 0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.898 10.581 -0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.537 9.590 -0.362 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.566 9.190 1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.564 10.447 2.112 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.908 11.655 1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.450 9.846 3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.608 10.472 5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.415 12.401 2.807 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.281 11.914 4.500 1.00 0.00 H new ATOM 230 N ALA A 18 -0.624 14.375 0.926 1.00 0.00 N ATOM 231 CA ALA A 18 -1.599 14.936 1.847 1.00 0.00 C ATOM 232 C ALA A 18 -2.656 15.708 1.069 1.00 0.00 C ATOM 233 O ALA A 18 -3.844 15.394 1.162 1.00 0.00 O ATOM 234 CB ALA A 18 -0.909 15.819 2.891 1.00 0.00 C ATOM 0 H ALA A 18 0.313 14.763 1.033 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.094 14.127 2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.656 16.230 3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.193 15.222 3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.387 16.634 2.390 1.00 0.00 H new ATOM 240 N ALA A 19 -2.213 16.705 0.293 1.00 0.00 N ATOM 241 CA ALA A 19 -3.140 17.516 -0.481 1.00 0.00 C ATOM 242 C ALA A 19 -3.825 16.681 -1.563 1.00 0.00 C ATOM 243 O ALA A 19 -4.941 17.004 -1.960 1.00 0.00 O ATOM 244 CB ALA A 19 -2.499 18.788 -1.052 1.00 0.00 C ATOM 0 H ALA A 19 -1.231 16.961 0.190 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.907 17.863 0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.243 19.348 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.125 19.405 -0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.673 18.516 -1.709 1.00 0.00 H new ATOM 250 N ALA A 20 -3.192 15.603 -2.046 1.00 0.00 N ATOM 251 CA ALA A 20 -3.819 14.779 -3.061 1.00 0.00 C ATOM 252 C ALA A 20 -4.976 13.993 -2.484 1.00 0.00 C ATOM 253 O ALA A 20 -6.083 14.082 -3.006 1.00 0.00 O ATOM 254 CB ALA A 20 -2.803 13.917 -3.808 1.00 0.00 C ATOM 0 H ALA A 20 -2.266 15.294 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.244 15.438 -3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.317 13.317 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.070 14.559 -4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.295 13.259 -3.103 1.00 0.00 H new ATOM 260 N ASN A 21 -4.735 13.239 -1.411 1.00 0.00 N ATOM 261 CA ASN A 21 -5.798 12.484 -0.772 1.00 0.00 C ATOM 262 C ASN A 21 -6.880 13.451 -0.264 1.00 0.00 C ATOM 263 O ASN A 21 -8.022 13.037 -0.054 1.00 0.00 O ATOM 264 CB ASN A 21 -5.204 11.655 0.373 1.00 0.00 C ATOM 265 CG ASN A 21 -6.270 10.869 1.135 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.417 11.039 2.343 1.00 0.00 O ATOM 267 ND2 ASN A 21 -7.023 10.015 0.434 1.00 0.00 N ATOM 0 H ASN A 21 -3.819 13.139 -0.974 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.263 11.803 -1.485 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.464 10.963 -0.029 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.681 12.316 1.064 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.752 9.475 0.901 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.869 9.903 -0.568 1.00 0.00 H new ATOM 274 N ALA A 22 -6.530 14.743 -0.095 1.00 0.00 N ATOM 275 CA ALA A 22 -7.482 15.718 0.422 1.00 0.00 C ATOM 276 C ALA A 22 -8.420 16.017 -0.735 1.00 0.00 C ATOM 277 O ALA A 22 -9.598 15.670 -0.671 1.00 0.00 O ATOM 278 CB ALA A 22 -6.771 16.955 0.967 1.00 0.00 C ATOM 0 H ALA A 22 -5.607 15.121 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.045 15.339 1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.509 17.662 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.101 16.663 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.194 17.424 0.170 1.00 0.00 H new ATOM 284 N ALA A 23 -7.877 16.673 -1.770 1.00 0.00 N ATOM 285 CA ALA A 23 -8.580 16.995 -3.010 1.00 0.00 C ATOM 286 C ALA A 23 -9.490 15.855 -3.471 1.00 0.00 C ATOM 287 O ALA A 23 -10.633 16.109 -3.846 1.00 0.00 O ATOM 288 CB ALA A 23 -7.561 17.201 -4.125 1.00 0.00 C ATOM 0 H ALA A 23 -6.911 17.001 -1.763 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.175 17.886 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.080 17.442 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.893 18.020 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.980 16.289 -4.260 1.00 0.00 H new ATOM 294 N CYS A 24 -8.975 14.612 -3.453 1.00 0.00 N ATOM 295 CA CYS A 24 -9.723 13.431 -3.849 1.00 0.00 C ATOM 296 C CYS A 24 -11.013 13.328 -3.047 1.00 0.00 C ATOM 297 O CYS A 24 -12.085 13.513 -3.610 1.00 0.00 O ATOM 298 CB CYS A 24 -8.919 12.130 -3.658 1.00 0.00 C ATOM 299 SG CYS A 24 -7.416 11.930 -4.636 1.00 0.00 S ATOM 0 H CYS A 24 -8.019 14.410 -3.159 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.941 13.545 -4.911 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.648 12.053 -2.605 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.579 11.291 -3.879 1.00 0.00 H new ATOM 304 N GLN A 25 -10.891 13.060 -1.738 1.00 0.00 N ATOM 305 CA GLN A 25 -12.006 12.861 -0.822 1.00 0.00 C ATOM 306 C GLN A 25 -13.005 14.013 -0.843 1.00 0.00 C ATOM 307 O GLN A 25 -14.198 13.797 -0.633 1.00 0.00 O ATOM 308 CB GLN A 25 -11.462 12.628 0.592 1.00 0.00 C ATOM 309 CG GLN A 25 -10.705 11.294 0.678 1.00 0.00 C ATOM 310 CD GLN A 25 -10.033 11.095 2.035 1.00 0.00 C ATOM 311 OE1 GLN A 25 -9.479 12.034 2.602 1.00 0.00 O ATOM 312 NE2 GLN A 25 -10.074 9.866 2.556 1.00 0.00 N ATOM 0 H GLN A 25 -9.983 12.975 -1.282 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.559 11.982 -1.154 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.797 13.446 0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.285 12.630 1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.398 10.473 0.495 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.950 11.256 -0.108 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.544 9.114 2.052 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.635 9.679 3.458 1.00 0.00 H new ATOM 321 N TYR A 26 -12.517 15.227 -1.108 1.00 0.00 N ATOM 322 CA TYR A 26 -13.356 16.413 -1.139 1.00 0.00 C ATOM 323 C TYR A 26 -14.154 16.586 -2.432 1.00 0.00 C ATOM 324 O TYR A 26 -15.355 16.830 -2.350 1.00 0.00 O ATOM 325 CB TYR A 26 -12.524 17.674 -0.851 1.00 0.00 C ATOM 326 CG TYR A 26 -12.055 17.835 0.587 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.972 17.691 1.645 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.711 18.141 0.875 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.550 17.823 2.978 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.289 18.276 2.210 1.00 0.00 C ATOM 331 CZ TYR A 26 -11.206 18.112 3.261 1.00 0.00 C ATOM 332 OH TYR A 26 -10.797 18.229 4.558 1.00 0.00 O ATOM 0 H TYR A 26 -11.533 15.409 -1.305 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.095 16.268 -0.350 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.649 17.667 -1.501 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.116 18.548 -1.122 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -14.009 17.477 1.430 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.003 18.272 0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.259 17.702 3.784 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.257 18.506 2.427 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.435 19.127 4.707 1.00 0.00 H new ATOM 342 N TYR A 27 -13.528 16.454 -3.612 1.00 0.00 N ATOM 343 CA TYR A 27 -14.220 16.681 -4.879 1.00 0.00 C ATOM 344 C TYR A 27 -14.886 15.504 -5.591 1.00 0.00 C ATOM 345 O TYR A 27 -15.512 15.737 -6.626 1.00 0.00 O ATOM 346 CB TYR A 27 -13.410 17.634 -5.774 1.00 0.00 C ATOM 347 CG TYR A 27 -12.239 17.172 -6.629 1.00 0.00 C ATOM 348 CD1 TYR A 27 -12.324 16.016 -7.430 1.00 0.00 C ATOM 349 CD2 TYR A 27 -11.045 17.928 -6.638 1.00 0.00 C ATOM 350 CE1 TYR A 27 -11.241 15.625 -8.221 1.00 0.00 C ATOM 351 CE2 TYR A 27 -9.957 17.531 -7.432 1.00 0.00 C ATOM 352 CZ TYR A 27 -10.063 16.378 -8.226 1.00 0.00 C ATOM 353 OH TYR A 27 -9.039 15.978 -9.022 1.00 0.00 O ATOM 0 H TYR A 27 -12.547 16.192 -3.709 1.00 0.00 H new ATOM 0 HA TYR A 27 -15.142 17.181 -4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.123 18.102 -6.453 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -13.027 18.420 -5.123 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.231 15.429 -7.432 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.969 18.817 -6.030 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.314 14.737 -8.831 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.045 18.109 -7.432 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.850 16.674 -9.686 1.00 0.00 H new ATOM 363 N GLN A 28 -14.788 14.267 -5.079 1.00 0.00 N ATOM 364 CA GLN A 28 -15.440 13.124 -5.736 1.00 0.00 C ATOM 365 C GLN A 28 -16.939 13.400 -5.865 1.00 0.00 C ATOM 366 O GLN A 28 -17.496 13.306 -6.957 1.00 0.00 O ATOM 367 CB GLN A 28 -15.270 11.777 -5.005 1.00 0.00 C ATOM 368 CG GLN A 28 -13.831 11.413 -4.642 1.00 0.00 C ATOM 369 CD GLN A 28 -13.560 9.912 -4.547 1.00 0.00 C ATOM 370 OE1 GLN A 28 -14.475 9.091 -4.591 1.00 0.00 O ATOM 371 NE2 GLN A 28 -12.281 9.554 -4.403 1.00 0.00 N ATOM 0 H GLN A 28 -14.274 14.035 -4.229 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.947 13.027 -6.703 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.864 11.800 -4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.681 10.986 -5.633 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.162 11.843 -5.387 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.583 11.875 -3.686 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.552 10.267 -4.371 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.033 8.568 -4.325 1.00 0.00 H new ATOM 380 N ASN A 29 -17.538 13.749 -4.716 1.00 0.00 N ATOM 381 CA ASN A 29 -18.930 14.093 -4.440 1.00 0.00 C ATOM 382 C ASN A 29 -19.166 13.708 -2.976 1.00 0.00 C ATOM 383 O ASN A 29 -19.933 12.794 -2.675 1.00 0.00 O ATOM 384 CB ASN A 29 -19.926 13.419 -5.405 1.00 0.00 C ATOM 385 CG ASN A 29 -21.381 13.736 -5.063 1.00 0.00 C ATOM 386 OD1 ASN A 29 -22.150 12.841 -4.718 1.00 0.00 O ATOM 387 ND2 ASN A 29 -21.759 15.012 -5.170 1.00 0.00 N ATOM 0 H ASN A 29 -16.986 13.801 -3.860 1.00 0.00 H new ATOM 0 HA ASN A 29 -19.106 15.156 -4.602 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.717 13.745 -6.424 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.777 12.339 -5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -22.721 15.278 -4.962 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -21.085 15.721 -5.460 1.00 0.00 H new ATOM 394 N ASP A 30 -18.484 14.415 -2.067 1.00 0.00 N ATOM 395 CA ASP A 30 -18.549 14.193 -0.631 1.00 0.00 C ATOM 396 C ASP A 30 -17.937 15.408 0.062 1.00 0.00 C ATOM 397 O ASP A 30 -16.714 15.503 0.168 1.00 0.00 O ATOM 398 CB ASP A 30 -17.790 12.901 -0.287 1.00 0.00 C ATOM 399 CG ASP A 30 -17.642 12.683 1.217 1.00 0.00 C ATOM 400 OD1 ASP A 30 -18.686 12.706 1.905 1.00 0.00 O ATOM 401 OD2 ASP A 30 -16.485 12.497 1.654 1.00 0.00 O ATOM 0 H ASP A 30 -17.856 15.177 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.578 14.075 -0.292 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -18.314 12.050 -0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -16.801 12.934 -0.744 1.00 0.00 H new ATOM 406 N ASP A 31 -18.799 16.330 0.521 1.00 0.00 N ATOM 407 CA ASP A 31 -18.450 17.578 1.200 1.00 0.00 C ATOM 408 C ASP A 31 -17.431 18.400 0.402 1.00 0.00 C ATOM 409 O ASP A 31 -17.214 18.142 -0.780 1.00 0.00 O ATOM 410 CB ASP A 31 -18.143 17.349 2.693 1.00 0.00 C ATOM 411 CG ASP A 31 -16.905 16.504 2.977 1.00 0.00 C ATOM 412 OD1 ASP A 31 -15.820 17.110 3.087 1.00 0.00 O ATOM 413 OD2 ASP A 31 -17.068 15.269 3.090 1.00 0.00 O ATOM 0 H ASP A 31 -19.808 16.215 0.421 1.00 0.00 H new ATOM 0 HA ASP A 31 -19.324 18.229 1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.021 18.319 3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.005 16.869 3.156 1.00 0.00 H new ATOM 418 N THR A 32 -16.821 19.403 1.037 1.00 0.00 N ATOM 419 CA THR A 32 -15.840 20.259 0.383 1.00 0.00 C ATOM 420 C THR A 32 -14.824 20.851 1.356 1.00 0.00 C ATOM 421 O THR A 32 -13.624 20.767 1.099 1.00 0.00 O ATOM 422 CB THR A 32 -16.526 21.324 -0.486 1.00 0.00 C ATOM 423 OG1 THR A 32 -15.561 22.130 -1.134 1.00 0.00 O ATOM 424 CG2 THR A 32 -17.462 22.210 0.326 1.00 0.00 C ATOM 0 H THR A 32 -16.995 19.641 2.014 1.00 0.00 H new ATOM 0 HA THR A 32 -15.257 19.625 -0.285 1.00 0.00 H new ATOM 0 HB THR A 32 -17.122 20.793 -1.228 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.178 22.763 -0.491 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.924 22.948 -0.330 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.237 21.596 0.785 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.895 22.721 1.104 1.00 0.00 H new ATOM 432 N ALA A 33 -15.300 21.432 2.465 1.00 0.00 N ATOM 433 CA ALA A 33 -14.487 22.080 3.485 1.00 0.00 C ATOM 434 C ALA A 33 -13.630 23.164 2.837 1.00 0.00 C ATOM 435 O ALA A 33 -12.464 22.953 2.505 1.00 0.00 O ATOM 436 CB ALA A 33 -13.647 21.089 4.277 1.00 0.00 C ATOM 0 H ALA A 33 -16.297 21.461 2.678 1.00 0.00 H new ATOM 0 HA ALA A 33 -15.154 22.544 4.211 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.060 21.624 5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -14.301 20.373 4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -12.977 20.558 3.601 1.00 0.00 H new ATOM 442 N GLY A 34 -14.245 24.333 2.678 1.00 0.00 N ATOM 443 CA GLY A 34 -13.657 25.514 2.067 1.00 0.00 C ATOM 444 C GLY A 34 -13.508 25.357 0.549 1.00 0.00 C ATOM 445 O GLY A 34 -13.545 24.246 0.019 1.00 0.00 O ATOM 0 H GLY A 34 -15.206 24.486 2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.279 26.383 2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.679 25.704 2.510 1.00 0.00 H new ATOM 449 N SER A 35 -13.326 26.490 -0.144 1.00 0.00 N ATOM 450 CA SER A 35 -13.179 26.569 -1.586 1.00 0.00 C ATOM 451 C SER A 35 -12.916 28.025 -1.979 1.00 0.00 C ATOM 452 O SER A 35 -13.846 28.830 -1.998 1.00 0.00 O ATOM 453 CB SER A 35 -14.428 26.030 -2.313 1.00 0.00 C ATOM 454 OG SER A 35 -15.609 26.642 -1.845 1.00 0.00 O ATOM 0 H SER A 35 -13.277 27.403 0.309 1.00 0.00 H new ATOM 0 HA SER A 35 -12.337 25.946 -1.888 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.328 26.203 -3.385 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.496 24.952 -2.169 1.00 0.00 H new ATOM 0 HG SER A 35 -15.449 27.599 -1.707 1.00 0.00 H new ATOM 460 N SER A 36 -11.658 28.369 -2.286 1.00 0.00 N ATOM 461 CA SER A 36 -11.289 29.717 -2.697 1.00 0.00 C ATOM 462 C SER A 36 -11.914 29.936 -4.073 1.00 0.00 C ATOM 463 O SER A 36 -12.826 30.747 -4.225 1.00 0.00 O ATOM 464 CB SER A 36 -9.761 29.854 -2.711 1.00 0.00 C ATOM 465 OG SER A 36 -9.257 29.697 -1.402 1.00 0.00 O ATOM 0 H SER A 36 -10.874 27.717 -2.254 1.00 0.00 H new ATOM 0 HA SER A 36 -11.655 30.478 -2.007 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.325 29.104 -3.371 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.477 30.830 -3.106 1.00 0.00 H new ATOM 0 HG SER A 36 -8.281 29.783 -1.415 1.00 0.00 H new ATOM 471 N THR A 37 -11.405 29.192 -5.060 1.00 0.00 N ATOM 472 CA THR A 37 -11.845 29.177 -6.447 1.00 0.00 C ATOM 473 C THR A 37 -11.646 27.758 -7.007 1.00 0.00 C ATOM 474 O THR A 37 -11.625 27.595 -8.222 1.00 0.00 O ATOM 475 CB THR A 37 -11.066 30.223 -7.272 1.00 0.00 C ATOM 476 OG1 THR A 37 -9.687 29.919 -7.268 1.00 0.00 O ATOM 477 CG2 THR A 37 -11.258 31.660 -6.775 1.00 0.00 C ATOM 0 H THR A 37 -10.630 28.549 -4.896 1.00 0.00 H new ATOM 0 HA THR A 37 -12.901 29.441 -6.508 1.00 0.00 H new ATOM 0 HB THR A 37 -11.472 30.171 -8.282 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.522 29.139 -7.838 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.682 32.342 -7.401 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.314 31.925 -6.827 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.915 31.737 -5.743 1.00 0.00 H new ATOM 485 N TYR A 38 -11.513 26.748 -6.124 1.00 0.00 N ATOM 486 CA TYR A 38 -11.281 25.319 -6.360 1.00 0.00 C ATOM 487 C TYR A 38 -12.065 24.581 -5.274 1.00 0.00 C ATOM 488 O TYR A 38 -12.292 25.162 -4.217 1.00 0.00 O ATOM 489 CB TYR A 38 -9.764 25.056 -6.311 1.00 0.00 C ATOM 490 CG TYR A 38 -9.020 26.058 -7.176 1.00 0.00 C ATOM 491 CD1 TYR A 38 -9.313 26.123 -8.549 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.058 26.928 -6.629 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.671 27.059 -9.368 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.412 27.866 -7.447 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.728 27.941 -8.817 1.00 0.00 C ATOM 496 OH TYR A 38 -7.112 28.861 -9.613 1.00 0.00 O ATOM 0 H TYR A 38 -11.573 26.940 -5.124 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.620 24.972 -7.336 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.411 25.123 -5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.554 24.043 -6.655 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.039 25.446 -8.975 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.817 26.873 -5.578 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.901 27.103 -10.422 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.672 28.531 -7.026 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.489 29.394 -9.076 1.00 0.00 H new ATOM 506 N PRO A 39 -12.484 23.321 -5.462 1.00 0.00 N ATOM 507 CA PRO A 39 -12.230 22.451 -6.599 1.00 0.00 C ATOM 508 C PRO A 39 -13.142 22.727 -7.797 1.00 0.00 C ATOM 509 O PRO A 39 -14.343 22.469 -7.747 1.00 0.00 O ATOM 510 CB PRO A 39 -12.455 21.055 -6.026 1.00 0.00 C ATOM 511 CG PRO A 39 -13.575 21.243 -5.006 1.00 0.00 C ATOM 512 CD PRO A 39 -13.265 22.629 -4.446 1.00 0.00 C ATOM 0 HA PRO A 39 -11.230 22.599 -7.007 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.740 20.347 -6.804 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.551 20.667 -5.557 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.560 21.201 -5.470 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.555 20.476 -4.232 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.184 23.173 -4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.707 22.554 -3.512 1.00 0.00 H new ATOM 520 N HIS A 40 -12.547 23.248 -8.877 1.00 0.00 N ATOM 521 CA HIS A 40 -13.210 23.573 -10.131 1.00 0.00 C ATOM 522 C HIS A 40 -12.524 22.799 -11.255 1.00 0.00 C ATOM 523 O HIS A 40 -11.373 22.381 -11.123 1.00 0.00 O ATOM 524 CB HIS A 40 -13.087 25.072 -10.451 1.00 0.00 C ATOM 525 CG HIS A 40 -13.787 26.050 -9.540 1.00 0.00 C ATOM 526 ND1 HIS A 40 -13.982 27.367 -9.929 1.00 0.00 N ATOM 527 CD2 HIS A 40 -14.337 25.969 -8.280 1.00 0.00 C ATOM 528 CE1 HIS A 40 -14.606 27.999 -8.922 1.00 0.00 C ATOM 529 NE2 HIS A 40 -14.856 27.197 -7.884 1.00 0.00 N ATOM 0 H HIS A 40 -11.550 23.461 -8.894 1.00 0.00 H new ATOM 0 HA HIS A 40 -14.264 23.311 -10.043 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -12.027 25.325 -10.462 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.463 25.230 -11.462 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -14.362 25.072 -7.680 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -14.877 29.044 -8.949 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -15.319 27.430 -7.006 1.00 0.00 H new ATOM 537 N THR A 41 -13.246 22.628 -12.368 1.00 0.00 N ATOM 538 CA THR A 41 -12.801 21.954 -13.567 1.00 0.00 C ATOM 539 C THR A 41 -11.624 22.732 -14.156 1.00 0.00 C ATOM 540 O THR A 41 -11.505 23.936 -13.932 1.00 0.00 O ATOM 541 CB THR A 41 -14.020 21.890 -14.504 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.827 20.790 -14.143 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.658 21.795 -15.981 1.00 0.00 C ATOM 0 H THR A 41 -14.201 22.977 -12.449 1.00 0.00 H new ATOM 0 HA THR A 41 -12.442 20.940 -13.388 1.00 0.00 H new ATOM 0 HB THR A 41 -14.558 22.830 -14.381 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.606 20.747 -14.737 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.570 21.754 -16.577 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.075 22.669 -16.270 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.070 20.894 -16.154 1.00 0.00 H new ATOM 551 N TYR A 42 -10.758 22.053 -14.921 1.00 0.00 N ATOM 552 CA TYR A 42 -9.624 22.729 -15.527 1.00 0.00 C ATOM 553 C TYR A 42 -10.107 23.508 -16.750 1.00 0.00 C ATOM 554 O TYR A 42 -10.651 22.939 -17.697 1.00 0.00 O ATOM 555 CB TYR A 42 -8.529 21.721 -15.872 1.00 0.00 C ATOM 556 CG TYR A 42 -7.223 22.398 -16.218 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.998 22.852 -17.529 1.00 0.00 C ATOM 558 CD2 TYR A 42 -6.238 22.589 -15.230 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.793 23.495 -17.850 1.00 0.00 C ATOM 560 CE2 TYR A 42 -5.029 23.224 -15.555 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.807 23.683 -16.866 1.00 0.00 C ATOM 562 OH TYR A 42 -3.633 24.298 -17.187 1.00 0.00 O ATOM 0 H TYR A 42 -10.826 21.056 -15.127 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.186 23.439 -14.825 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.376 21.049 -15.028 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.853 21.108 -16.713 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.752 22.706 -18.288 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.413 22.246 -14.221 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.622 23.847 -18.857 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.270 23.360 -14.799 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.062 24.349 -16.392 1.00 0.00 H new ATOM 572 N ASN A 43 -9.895 24.830 -16.684 1.00 0.00 N ATOM 573 CA ASN A 43 -10.277 25.827 -17.672 1.00 0.00 C ATOM 574 C ASN A 43 -9.808 25.513 -19.093 1.00 0.00 C ATOM 575 O ASN A 43 -8.735 24.950 -19.304 1.00 0.00 O ATOM 576 CB ASN A 43 -9.791 27.219 -17.222 1.00 0.00 C ATOM 577 CG ASN A 43 -10.924 28.243 -17.229 1.00 0.00 C ATOM 578 OD1 ASN A 43 -11.361 28.693 -16.172 1.00 0.00 O ATOM 579 ND2 ASN A 43 -11.407 28.612 -18.420 1.00 0.00 N ATOM 0 H ASN A 43 -9.421 25.250 -15.884 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.366 25.812 -17.723 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.369 27.150 -16.219 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.992 27.556 -17.882 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.166 29.291 -18.474 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.016 28.215 -19.274 1.00 0.00 H new ATOM 586 N ASN A 44 -10.642 25.908 -20.059 1.00 0.00 N ATOM 587 CA ASN A 44 -10.420 25.736 -21.484 1.00 0.00 C ATOM 588 C ASN A 44 -9.346 26.713 -21.971 1.00 0.00 C ATOM 589 O ASN A 44 -9.216 27.813 -21.435 1.00 0.00 O ATOM 590 CB ASN A 44 -11.762 25.969 -22.195 1.00 0.00 C ATOM 591 CG ASN A 44 -11.747 25.629 -23.685 1.00 0.00 C ATOM 592 OD1 ASN A 44 -10.873 24.911 -24.165 1.00 0.00 O ATOM 593 ND2 ASN A 44 -12.735 26.145 -24.419 1.00 0.00 N ATOM 0 H ASN A 44 -11.525 26.375 -19.853 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.060 24.731 -21.706 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.529 25.370 -21.705 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -12.048 27.014 -22.075 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.784 25.948 -25.419 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -13.441 26.737 -23.980 1.00 0.00 H new ATOM 600 N TYR A 45 -8.579 26.289 -22.987 1.00 0.00 N ATOM 601 CA TYR A 45 -7.501 27.030 -23.637 1.00 0.00 C ATOM 602 C TYR A 45 -6.257 27.086 -22.743 1.00 0.00 C ATOM 603 O TYR A 45 -6.374 27.137 -21.520 1.00 0.00 O ATOM 604 CB TYR A 45 -7.981 28.412 -24.115 1.00 0.00 C ATOM 605 CG TYR A 45 -7.197 29.033 -25.260 1.00 0.00 C ATOM 606 CD1 TYR A 45 -7.033 28.331 -26.472 1.00 0.00 C ATOM 607 CD2 TYR A 45 -6.643 30.320 -25.123 1.00 0.00 C ATOM 608 CE1 TYR A 45 -6.320 28.911 -27.535 1.00 0.00 C ATOM 609 CE2 TYR A 45 -5.934 30.901 -26.189 1.00 0.00 C ATOM 610 CZ TYR A 45 -5.772 30.198 -27.395 1.00 0.00 C ATOM 611 OH TYR A 45 -5.088 30.765 -28.431 1.00 0.00 O ATOM 0 H TYR A 45 -8.707 25.364 -23.397 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.202 26.494 -24.538 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.024 28.326 -24.420 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.952 29.097 -23.268 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.457 27.344 -26.584 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.763 30.862 -24.197 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.193 28.368 -28.460 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.513 31.890 -26.081 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.777 31.656 -28.169 1.00 0.00 H new ATOM 621 N GLU A 46 -5.067 27.069 -23.362 1.00 0.00 N ATOM 622 CA GLU A 46 -3.777 27.086 -22.678 1.00 0.00 C ATOM 623 C GLU A 46 -3.695 25.876 -21.741 1.00 0.00 C ATOM 624 O GLU A 46 -3.419 26.007 -20.549 1.00 0.00 O ATOM 625 CB GLU A 46 -3.533 28.426 -21.961 1.00 0.00 C ATOM 626 CG GLU A 46 -3.576 29.598 -22.949 1.00 0.00 C ATOM 627 CD GLU A 46 -3.359 30.933 -22.244 1.00 0.00 C ATOM 628 OE1 GLU A 46 -2.222 31.152 -21.774 1.00 0.00 O ATOM 629 OE2 GLU A 46 -4.336 31.713 -22.187 1.00 0.00 O ATOM 0 H GLU A 46 -4.979 27.042 -24.378 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.972 27.003 -23.408 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.287 28.571 -21.188 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.565 28.403 -21.461 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.810 29.460 -23.712 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.538 29.608 -23.461 1.00 0.00 H new ATOM 636 N GLY A 47 -3.946 24.691 -22.312 1.00 0.00 N ATOM 637 CA GLY A 47 -3.951 23.422 -21.613 1.00 0.00 C ATOM 638 C GLY A 47 -2.549 22.967 -21.230 1.00 0.00 C ATOM 639 O GLY A 47 -1.781 22.550 -22.095 1.00 0.00 O ATOM 0 H GLY A 47 -4.157 24.598 -23.306 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.561 23.508 -20.714 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.417 22.664 -22.243 1.00 0.00 H new ATOM 643 N PHE A 48 -2.222 23.053 -19.932 1.00 0.00 N ATOM 644 CA PHE A 48 -0.931 22.625 -19.418 1.00 0.00 C ATOM 645 C PHE A 48 -0.965 21.098 -19.448 1.00 0.00 C ATOM 646 O PHE A 48 -1.651 20.472 -18.643 1.00 0.00 O ATOM 647 CB PHE A 48 -0.700 23.207 -18.018 1.00 0.00 C ATOM 648 CG PHE A 48 0.754 23.261 -17.581 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.544 22.094 -17.552 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.325 24.494 -17.212 1.00 0.00 C ATOM 651 CE1 PHE A 48 2.891 22.163 -17.160 1.00 0.00 C ATOM 652 CE2 PHE A 48 2.671 24.561 -16.819 1.00 0.00 C ATOM 653 CZ PHE A 48 3.456 23.397 -16.804 1.00 0.00 C ATOM 0 H PHE A 48 -2.850 23.422 -19.218 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.092 22.985 -20.014 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.111 24.216 -17.987 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.260 22.612 -17.296 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.112 21.144 -17.832 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.725 25.392 -17.231 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.492 21.266 -17.133 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.102 25.507 -16.528 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.496 23.452 -16.518 1.00 0.00 H new ATOM 663 N ASP A 49 -0.225 20.511 -20.394 1.00 0.00 N ATOM 664 CA ASP A 49 -0.141 19.077 -20.619 1.00 0.00 C ATOM 665 C ASP A 49 0.241 18.294 -19.363 1.00 0.00 C ATOM 666 O ASP A 49 1.297 18.526 -18.777 1.00 0.00 O ATOM 667 CB ASP A 49 0.833 18.805 -21.769 1.00 0.00 C ATOM 668 CG ASP A 49 0.369 19.490 -23.055 1.00 0.00 C ATOM 669 OD1 ASP A 49 -0.441 18.865 -23.774 1.00 0.00 O ATOM 670 OD2 ASP A 49 0.827 20.630 -23.291 1.00 0.00 O ATOM 0 H ASP A 49 0.350 21.047 -21.044 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.135 18.721 -20.890 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.827 19.163 -21.501 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.915 17.731 -21.934 1.00 0.00 H new ATOM 675 N PHE A 50 -0.646 17.371 -18.970 1.00 0.00 N ATOM 676 CA PHE A 50 -0.516 16.481 -17.823 1.00 0.00 C ATOM 677 C PHE A 50 -0.869 15.059 -18.277 1.00 0.00 C ATOM 678 O PHE A 50 -1.653 14.894 -19.214 1.00 0.00 O ATOM 679 CB PHE A 50 -1.469 16.918 -16.701 1.00 0.00 C ATOM 680 CG PHE A 50 -1.286 18.322 -16.156 1.00 0.00 C ATOM 681 CD1 PHE A 50 -0.005 18.821 -15.852 1.00 0.00 C ATOM 682 CD2 PHE A 50 -2.417 19.132 -15.938 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.143 20.120 -15.335 1.00 0.00 C ATOM 684 CE2 PHE A 50 -2.269 20.430 -15.423 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.990 20.923 -15.119 1.00 0.00 C ATOM 0 H PHE A 50 -1.519 17.222 -19.475 1.00 0.00 H new ATOM 0 HA PHE A 50 0.504 16.516 -17.441 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.491 16.827 -17.069 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.364 16.216 -15.874 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.866 18.204 -16.016 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.402 18.754 -16.168 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.127 20.501 -15.104 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.139 21.049 -15.261 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.877 21.920 -14.719 1.00 0.00 H new ATOM 695 N PRO A 51 -0.310 14.018 -17.635 1.00 0.00 N ATOM 696 CA PRO A 51 -0.570 12.627 -17.980 1.00 0.00 C ATOM 697 C PRO A 51 -1.975 12.171 -17.560 1.00 0.00 C ATOM 698 O PRO A 51 -2.660 12.857 -16.804 1.00 0.00 O ATOM 699 CB PRO A 51 0.517 11.835 -17.246 1.00 0.00 C ATOM 700 CG PRO A 51 0.759 12.676 -15.994 1.00 0.00 C ATOM 701 CD PRO A 51 0.638 14.098 -16.534 1.00 0.00 C ATOM 0 HA PRO A 51 -0.541 12.473 -19.059 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.186 10.827 -16.998 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.421 11.735 -17.847 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.022 12.471 -15.217 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.741 12.487 -15.560 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.286 14.782 -15.762 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.604 14.472 -16.874 1.00 0.00 H new ATOM 709 N VAL A 52 -2.374 11.001 -18.086 1.00 0.00 N ATOM 710 CA VAL A 52 -3.634 10.281 -17.885 1.00 0.00 C ATOM 711 C VAL A 52 -4.909 11.084 -18.188 1.00 0.00 C ATOM 712 O VAL A 52 -4.870 12.287 -18.436 1.00 0.00 O ATOM 713 CB VAL A 52 -3.676 9.520 -16.542 1.00 0.00 C ATOM 714 CG1 VAL A 52 -2.511 8.532 -16.439 1.00 0.00 C ATOM 715 CG2 VAL A 52 -3.664 10.425 -15.310 1.00 0.00 C ATOM 0 H VAL A 52 -1.761 10.491 -18.722 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.639 9.521 -18.666 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.630 8.993 -16.546 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.562 8.008 -15.485 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.573 7.810 -17.253 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.568 9.074 -16.506 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.695 9.813 -14.409 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.755 11.026 -15.309 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.533 11.082 -15.333 1.00 0.00 H new ATOM 725 N ASP A 53 -6.049 10.378 -18.176 1.00 0.00 N ATOM 726 CA ASP A 53 -7.369 10.921 -18.457 1.00 0.00 C ATOM 727 C ASP A 53 -7.970 11.626 -17.239 1.00 0.00 C ATOM 728 O ASP A 53 -7.643 11.309 -16.095 1.00 0.00 O ATOM 729 CB ASP A 53 -8.277 9.776 -18.935 1.00 0.00 C ATOM 730 CG ASP A 53 -9.658 10.260 -19.373 1.00 0.00 C ATOM 731 OD1 ASP A 53 -9.707 11.026 -20.361 1.00 0.00 O ATOM 732 OD2 ASP A 53 -10.640 9.856 -18.713 1.00 0.00 O ATOM 0 H ASP A 53 -6.069 9.381 -17.962 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.282 11.677 -19.237 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.797 9.261 -19.767 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.390 9.048 -18.131 1.00 0.00 H new ATOM 737 N GLY A 54 -8.859 12.587 -17.517 1.00 0.00 N ATOM 738 CA GLY A 54 -9.575 13.384 -16.536 1.00 0.00 C ATOM 739 C GLY A 54 -10.967 12.791 -16.284 1.00 0.00 C ATOM 740 O GLY A 54 -11.128 11.573 -16.355 1.00 0.00 O ATOM 0 H GLY A 54 -9.104 12.835 -18.476 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.012 13.417 -15.603 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.668 14.411 -16.889 1.00 0.00 H new ATOM 744 N PRO A 55 -11.982 13.622 -15.982 1.00 0.00 N ATOM 745 CA PRO A 55 -11.896 15.069 -15.828 1.00 0.00 C ATOM 746 C PRO A 55 -11.025 15.416 -14.622 1.00 0.00 C ATOM 747 O PRO A 55 -11.194 14.823 -13.558 1.00 0.00 O ATOM 748 CB PRO A 55 -13.338 15.543 -15.621 1.00 0.00 C ATOM 749 CG PRO A 55 -14.049 14.323 -15.043 1.00 0.00 C ATOM 750 CD PRO A 55 -13.340 13.165 -15.741 1.00 0.00 C ATOM 0 HA PRO A 55 -11.441 15.551 -16.694 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.385 16.392 -14.939 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.792 15.862 -16.559 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.945 14.268 -13.959 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -15.117 14.335 -15.260 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.347 12.270 -15.119 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.838 12.908 -16.676 1.00 0.00 H new ATOM 758 N TYR A 56 -10.094 16.364 -14.802 1.00 0.00 N ATOM 759 CA TYR A 56 -9.192 16.824 -13.759 1.00 0.00 C ATOM 760 C TYR A 56 -9.540 18.236 -13.288 1.00 0.00 C ATOM 761 O TYR A 56 -9.907 19.115 -14.076 1.00 0.00 O ATOM 762 CB TYR A 56 -7.721 16.640 -14.172 1.00 0.00 C ATOM 763 CG TYR A 56 -7.207 17.321 -15.428 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.292 16.671 -16.674 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.624 18.601 -15.352 1.00 0.00 C ATOM 766 CE1 TYR A 56 -6.801 17.296 -17.835 1.00 0.00 C ATOM 767 CE2 TYR A 56 -6.131 19.224 -16.511 1.00 0.00 C ATOM 768 CZ TYR A 56 -6.216 18.574 -17.753 1.00 0.00 C ATOM 769 OH TYR A 56 -5.725 19.183 -18.873 1.00 0.00 O ATOM 0 H TYR A 56 -9.952 16.835 -15.695 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.331 16.193 -12.882 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.103 16.979 -13.340 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.545 15.570 -14.285 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.736 15.689 -16.739 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.556 19.105 -14.399 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.873 16.795 -18.789 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.685 20.206 -16.446 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.358 20.060 -18.634 1.00 0.00 H new ATOM 779 N GLN A 57 -9.417 18.405 -11.963 1.00 0.00 N ATOM 780 CA GLN A 57 -9.696 19.625 -11.228 1.00 0.00 C ATOM 781 C GLN A 57 -8.450 20.053 -10.452 1.00 0.00 C ATOM 782 O GLN A 57 -7.552 19.250 -10.173 1.00 0.00 O ATOM 783 CB GLN A 57 -10.887 19.412 -10.282 1.00 0.00 C ATOM 784 CG GLN A 57 -12.205 19.138 -11.018 1.00 0.00 C ATOM 785 CD GLN A 57 -12.746 17.740 -10.732 1.00 0.00 C ATOM 786 OE1 GLN A 57 -12.222 16.737 -11.439 1.00 0.00 O flip ATOM 787 NE2 GLN A 57 -13.630 17.569 -9.895 1.00 0.00 N flip ATOM 0 H GLN A 57 -9.104 17.649 -11.354 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.959 20.418 -11.928 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.669 18.576 -9.618 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.006 20.295 -9.654 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.946 19.880 -10.721 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.051 19.253 -12.091 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.002 18.365 -9.377 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.991 16.631 -9.719 1.00 0.00 H new ATOM 796 N GLU A 58 -8.435 21.344 -10.107 1.00 0.00 N ATOM 797 CA GLU A 58 -7.363 22.015 -9.395 1.00 0.00 C ATOM 798 C GLU A 58 -7.529 21.908 -7.885 1.00 0.00 C ATOM 799 O GLU A 58 -8.620 21.651 -7.376 1.00 0.00 O ATOM 800 CB GLU A 58 -7.331 23.508 -9.758 1.00 0.00 C ATOM 801 CG GLU A 58 -7.133 23.804 -11.245 1.00 0.00 C ATOM 802 CD GLU A 58 -8.425 23.617 -12.031 1.00 0.00 C ATOM 803 OE1 GLU A 58 -9.264 24.544 -11.985 1.00 0.00 O ATOM 804 OE2 GLU A 58 -8.555 22.545 -12.657 1.00 0.00 O ATOM 0 H GLU A 58 -9.208 21.971 -10.330 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.437 21.523 -9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.265 23.966 -9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.528 23.986 -9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.776 24.826 -11.369 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.363 23.146 -11.648 1.00 0.00 H new ATOM 811 N PHE A 59 -6.407 22.110 -7.189 1.00 0.00 N ATOM 812 CA PHE A 59 -6.315 22.097 -5.746 1.00 0.00 C ATOM 813 C PHE A 59 -5.033 22.835 -5.374 1.00 0.00 C ATOM 814 O PHE A 59 -3.941 22.321 -5.597 1.00 0.00 O ATOM 815 CB PHE A 59 -6.316 20.669 -5.220 1.00 0.00 C ATOM 816 CG PHE A 59 -6.538 20.568 -3.725 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.669 21.166 -3.140 1.00 0.00 C ATOM 818 CD2 PHE A 59 -5.626 19.872 -2.913 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.879 21.051 -1.760 1.00 0.00 C ATOM 820 CE2 PHE A 59 -5.866 19.763 -1.533 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.995 20.342 -0.958 1.00 0.00 C ATOM 0 H PHE A 59 -5.511 22.293 -7.641 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.175 22.591 -5.293 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.094 20.104 -5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.364 20.199 -5.469 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.372 21.711 -3.752 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.745 19.423 -3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.742 21.521 -1.313 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.167 19.224 -0.911 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.181 20.240 0.101 1.00 0.00 H new ATOM 831 N PRO A 60 -5.124 24.030 -4.791 1.00 0.00 N ATOM 832 CA PRO A 60 -3.957 24.809 -4.467 1.00 0.00 C ATOM 833 C PRO A 60 -3.294 24.303 -3.183 1.00 0.00 C ATOM 834 O PRO A 60 -3.973 24.119 -2.173 1.00 0.00 O ATOM 835 CB PRO A 60 -4.504 26.222 -4.393 1.00 0.00 C ATOM 836 CG PRO A 60 -5.851 26.012 -3.702 1.00 0.00 C ATOM 837 CD PRO A 60 -6.331 24.720 -4.377 1.00 0.00 C ATOM 0 HA PRO A 60 -3.147 24.743 -5.194 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.852 26.882 -3.821 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.619 26.666 -5.382 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.747 25.899 -2.623 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.535 26.844 -3.871 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.915 24.110 -3.688 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.972 24.938 -5.231 1.00 0.00 H new ATOM 845 N ILE A 61 -1.976 24.062 -3.213 1.00 0.00 N ATOM 846 CA ILE A 61 -1.239 23.598 -2.049 1.00 0.00 C ATOM 847 C ILE A 61 -0.769 24.771 -1.228 1.00 0.00 C ATOM 848 O ILE A 61 -1.039 25.943 -1.491 1.00 0.00 O ATOM 849 CB ILE A 61 -0.117 22.615 -2.413 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.595 21.735 -1.362 1.00 0.00 C ATOM 851 CG2 ILE A 61 0.813 23.121 -3.511 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.027 20.396 -1.971 1.00 0.00 C ATOM 0 H ILE A 61 -1.400 24.185 -4.046 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.918 23.018 -1.424 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.776 21.836 -2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.467 22.260 -0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.072 21.557 -0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.579 22.372 -3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.238 23.305 -4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.288 24.047 -3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.526 19.795 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.150 19.863 -2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.713 20.577 -2.798 1.00 0.00 H new ATOM 864 N LYS A 62 -0.046 24.351 -0.214 1.00 0.00 N ATOM 865 CA LYS A 62 0.552 25.216 0.794 1.00 0.00 C ATOM 866 C LYS A 62 1.808 24.593 1.396 1.00 0.00 C ATOM 867 O LYS A 62 1.852 23.387 1.638 1.00 0.00 O ATOM 868 CB LYS A 62 -0.464 25.551 1.898 1.00 0.00 C ATOM 869 CG LYS A 62 -0.651 27.058 2.107 1.00 0.00 C ATOM 870 CD LYS A 62 0.633 27.808 2.486 1.00 0.00 C ATOM 871 CE LYS A 62 0.332 29.241 2.939 1.00 0.00 C ATOM 872 NZ LYS A 62 -0.287 30.041 1.866 1.00 0.00 N ATOM 0 H LYS A 62 0.152 23.363 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 62 0.845 26.141 0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.425 25.103 1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.137 25.098 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.055 27.492 1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.394 27.215 2.889 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.146 27.273 3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.309 27.830 1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.333 29.216 3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.256 29.721 3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.427 31.017 2.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.335 30.045 1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.206 29.627 1.610 1.00 0.00 H new ATOM 886 N SER A 63 2.814 25.444 1.644 1.00 0.00 N ATOM 887 CA SER A 63 4.103 25.097 2.219 1.00 0.00 C ATOM 888 C SER A 63 3.986 25.000 3.744 1.00 0.00 C ATOM 889 O SER A 63 4.683 25.699 4.477 1.00 0.00 O ATOM 890 CB SER A 63 5.141 26.128 1.751 1.00 0.00 C ATOM 891 OG SER A 63 6.445 25.743 2.131 1.00 0.00 O ATOM 0 H SER A 63 2.738 26.440 1.436 1.00 0.00 H new ATOM 0 HA SER A 63 4.436 24.117 1.878 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.091 26.234 0.667 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.907 27.104 2.177 1.00 0.00 H new ATOM 0 HG SER A 63 6.499 25.690 3.108 1.00 0.00 H new ATOM 897 N GLY A 64 3.086 24.122 4.205 1.00 0.00 N ATOM 898 CA GLY A 64 2.820 23.850 5.610 1.00 0.00 C ATOM 899 C GLY A 64 1.323 23.736 5.898 1.00 0.00 C ATOM 900 O GLY A 64 0.850 24.313 6.875 1.00 0.00 O ATOM 0 H GLY A 64 2.505 23.564 3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.317 22.924 5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.247 24.646 6.220 1.00 0.00 H new ATOM 904 N GLY A 65 0.577 23.000 5.060 1.00 0.00 N ATOM 905 CA GLY A 65 -0.855 22.804 5.246 1.00 0.00 C ATOM 906 C GLY A 65 -1.587 22.517 3.938 1.00 0.00 C ATOM 907 O GLY A 65 -0.987 22.524 2.864 1.00 0.00 O ATOM 0 H GLY A 65 0.955 22.528 4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.017 21.977 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.282 23.694 5.708 1.00 0.00 H new ATOM 911 N VAL A 66 -2.897 22.252 4.054 1.00 0.00 N ATOM 912 CA VAL A 66 -3.798 21.972 2.950 1.00 0.00 C ATOM 913 C VAL A 66 -5.061 22.832 3.128 1.00 0.00 C ATOM 914 O VAL A 66 -5.556 22.982 4.245 1.00 0.00 O ATOM 915 CB VAL A 66 -4.142 20.472 2.932 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.812 20.122 1.599 1.00 0.00 C ATOM 917 CG2 VAL A 66 -2.920 19.555 3.089 1.00 0.00 C ATOM 0 H VAL A 66 -3.366 22.228 4.959 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.330 22.218 1.997 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.799 20.304 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.057 19.060 1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.725 20.707 1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.131 20.350 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.241 18.514 3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.221 19.737 2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.429 19.763 4.040 1.00 0.00 H new ATOM 927 N TYR A 67 -5.568 23.393 2.020 1.00 0.00 N ATOM 928 CA TYR A 67 -6.756 24.238 1.918 1.00 0.00 C ATOM 929 C TYR A 67 -6.842 25.346 2.978 1.00 0.00 C ATOM 930 O TYR A 67 -7.850 25.486 3.664 1.00 0.00 O ATOM 931 CB TYR A 67 -8.045 23.405 1.737 1.00 0.00 C ATOM 932 CG TYR A 67 -8.620 22.670 2.942 1.00 0.00 C ATOM 933 CD1 TYR A 67 -8.121 21.408 3.320 1.00 0.00 C ATOM 934 CD2 TYR A 67 -9.673 23.242 3.683 1.00 0.00 C ATOM 935 CE1 TYR A 67 -8.663 20.732 4.427 1.00 0.00 C ATOM 936 CE2 TYR A 67 -10.215 22.568 4.790 1.00 0.00 C ATOM 937 CZ TYR A 67 -9.711 21.310 5.162 1.00 0.00 C ATOM 938 OH TYR A 67 -10.243 20.649 6.230 1.00 0.00 O ATOM 0 H TYR A 67 -5.124 23.256 1.112 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.645 24.806 0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.819 24.073 1.358 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.853 22.665 0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.318 20.957 2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -10.067 24.206 3.398 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.273 19.766 4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -11.019 23.016 5.355 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.958 21.190 6.626 1.00 0.00 H new ATOM 948 N THR A 68 -5.781 26.152 3.109 1.00 0.00 N ATOM 949 CA THR A 68 -5.739 27.255 4.062 1.00 0.00 C ATOM 950 C THR A 68 -6.482 28.469 3.498 1.00 0.00 C ATOM 951 O THR A 68 -7.255 29.107 4.210 1.00 0.00 O ATOM 952 CB THR A 68 -4.289 27.626 4.408 1.00 0.00 C ATOM 953 OG1 THR A 68 -3.597 28.038 3.248 1.00 0.00 O ATOM 954 CG2 THR A 68 -3.546 26.462 5.068 1.00 0.00 C ATOM 0 H THR A 68 -4.930 26.053 2.555 1.00 0.00 H new ATOM 0 HA THR A 68 -6.234 26.935 4.979 1.00 0.00 H new ATOM 0 HB THR A 68 -4.326 28.449 5.121 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.908 28.691 3.493 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.524 26.765 5.297 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.056 26.181 5.989 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.528 25.610 4.389 1.00 0.00 H new ATOM 962 N GLY A 69 -6.241 28.777 2.216 1.00 0.00 N ATOM 963 CA GLY A 69 -6.831 29.899 1.505 1.00 0.00 C ATOM 964 C GLY A 69 -5.898 31.105 1.598 1.00 0.00 C ATOM 965 O GLY A 69 -6.307 32.165 2.068 1.00 0.00 O ATOM 0 H GLY A 69 -5.608 28.228 1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.999 29.635 0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.804 30.144 1.932 1.00 0.00 H new ATOM 969 N GLY A 70 -4.649 30.926 1.146 1.00 0.00 N ATOM 970 CA GLY A 70 -3.604 31.938 1.153 1.00 0.00 C ATOM 971 C GLY A 70 -3.183 32.249 -0.278 1.00 0.00 C ATOM 972 O GLY A 70 -2.103 31.850 -0.712 1.00 0.00 O ATOM 0 H GLY A 70 -4.336 30.038 0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.964 32.843 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.747 31.586 1.726 1.00 0.00 H new ATOM 976 N SER A 71 -4.047 32.968 -1.005 1.00 0.00 N ATOM 977 CA SER A 71 -3.820 33.361 -2.389 1.00 0.00 C ATOM 978 C SER A 71 -2.728 34.437 -2.476 1.00 0.00 C ATOM 979 O SER A 71 -2.560 35.202 -1.525 1.00 0.00 O ATOM 980 CB SER A 71 -5.140 33.868 -2.984 1.00 0.00 C ATOM 981 OG SER A 71 -5.585 35.022 -2.300 1.00 0.00 O ATOM 0 H SER A 71 -4.939 33.296 -0.635 1.00 0.00 H new ATOM 0 HA SER A 71 -3.475 32.500 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.005 34.095 -4.041 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.897 33.087 -2.920 1.00 0.00 H new ATOM 0 HG SER A 71 -6.427 35.332 -2.694 1.00 0.00 H new ATOM 987 N PRO A 72 -1.987 34.530 -3.593 1.00 0.00 N ATOM 988 CA PRO A 72 -2.039 33.648 -4.751 1.00 0.00 C ATOM 989 C PRO A 72 -1.338 32.318 -4.457 1.00 0.00 C ATOM 990 O PRO A 72 -1.848 31.260 -4.825 1.00 0.00 O ATOM 991 CB PRO A 72 -1.344 34.424 -5.873 1.00 0.00 C ATOM 992 CG PRO A 72 -0.320 35.285 -5.134 1.00 0.00 C ATOM 993 CD PRO A 72 -0.999 35.579 -3.795 1.00 0.00 C ATOM 0 HA PRO A 72 -3.061 33.385 -5.025 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.864 33.754 -6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.050 35.035 -6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.624 34.757 -4.998 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.097 36.201 -5.681 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.271 35.587 -2.984 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.473 36.561 -3.808 1.00 0.00 H new ATOM 1001 N GLY A 73 -0.169 32.375 -3.805 1.00 0.00 N ATOM 1002 CA GLY A 73 0.616 31.213 -3.433 1.00 0.00 C ATOM 1003 C GLY A 73 1.596 30.849 -4.542 1.00 0.00 C ATOM 1004 O GLY A 73 2.796 30.761 -4.291 1.00 0.00 O ATOM 0 H GLY A 73 0.258 33.256 -3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.161 31.416 -2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.045 30.370 -3.234 1.00 0.00 H new ATOM 1008 N ALA A 74 1.078 30.654 -5.761 1.00 0.00 N ATOM 1009 CA ALA A 74 1.849 30.274 -6.937 1.00 0.00 C ATOM 1010 C ALA A 74 2.460 28.889 -6.745 1.00 0.00 C ATOM 1011 O ALA A 74 3.628 28.675 -7.045 1.00 0.00 O ATOM 1012 CB ALA A 74 2.896 31.311 -7.312 1.00 0.00 C ATOM 0 H ALA A 74 0.082 30.761 -5.955 1.00 0.00 H new ATOM 0 HA ALA A 74 1.161 30.231 -7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.440 30.976 -8.195 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.407 32.261 -7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.593 31.441 -6.484 1.00 0.00 H new ATOM 1018 N ASP A 75 1.659 27.958 -6.222 1.00 0.00 N ATOM 1019 CA ASP A 75 2.025 26.577 -5.982 1.00 0.00 C ATOM 1020 C ASP A 75 0.725 25.785 -5.847 1.00 0.00 C ATOM 1021 O ASP A 75 0.070 25.814 -4.805 1.00 0.00 O ATOM 1022 CB ASP A 75 2.966 26.438 -4.778 1.00 0.00 C ATOM 1023 CG ASP A 75 2.626 27.335 -3.583 1.00 0.00 C ATOM 1024 OD1 ASP A 75 1.569 27.110 -2.956 1.00 0.00 O ATOM 1025 OD2 ASP A 75 3.447 28.237 -3.306 1.00 0.00 O ATOM 0 H ASP A 75 0.699 28.164 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 75 2.601 26.172 -6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.957 25.399 -4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.982 26.661 -5.103 1.00 0.00 H new ATOM 1030 N ARG A 76 0.345 25.082 -6.919 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.874 24.293 -6.963 1.00 0.00 C ATOM 1032 C ARG A 76 -0.624 22.922 -7.558 1.00 0.00 C ATOM 1033 O ARG A 76 0.238 22.763 -8.420 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.920 24.965 -7.860 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.311 26.392 -7.454 1.00 0.00 C ATOM 1036 CD ARG A 76 -1.953 27.407 -8.545 1.00 0.00 C ATOM 1037 NE ARG A 76 -2.487 27.037 -9.868 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.787 26.936 -10.191 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.743 27.255 -9.314 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.153 26.515 -11.410 1.00 0.00 N ATOM 0 H ARG A 76 0.885 25.049 -7.784 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.224 24.210 -5.934 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.539 24.987 -8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.818 24.348 -7.868 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.382 26.434 -7.255 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.804 26.659 -6.527 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.339 28.387 -8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.869 27.498 -8.609 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.809 26.840 -10.604 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.491 27.582 -8.381 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.725 27.172 -9.577 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.442 26.269 -12.099 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.142 26.441 -11.648 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.404 21.949 -7.077 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.381 20.579 -7.548 1.00 0.00 C ATOM 1056 C VAL A 77 -2.717 20.398 -8.257 1.00 0.00 C ATOM 1057 O VAL A 77 -3.739 20.948 -7.855 1.00 0.00 O ATOM 1058 CB VAL A 77 -1.101 19.532 -6.467 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.314 19.731 -5.911 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.125 19.529 -5.323 1.00 0.00 C ATOM 0 H VAL A 77 -2.082 22.106 -6.331 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.539 20.410 -8.219 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.189 18.558 -6.949 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.511 18.984 -5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.040 19.622 -6.717 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.398 20.728 -5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.858 18.760 -4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.128 20.503 -4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.117 19.321 -5.723 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.694 19.623 -9.330 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.849 19.370 -10.163 1.00 0.00 C ATOM 1072 C VAL A 78 -3.871 17.857 -10.355 1.00 0.00 C ATOM 1073 O VAL A 78 -2.907 17.269 -10.847 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.711 20.262 -11.410 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.909 20.073 -12.344 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.579 21.753 -10.982 1.00 0.00 C ATOM 0 H VAL A 78 -1.852 19.144 -9.649 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.826 19.636 -9.760 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.811 19.971 -11.952 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.792 20.712 -13.219 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.963 19.031 -12.660 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.826 20.341 -11.819 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.482 22.379 -11.869 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.466 22.051 -10.423 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.697 21.874 -10.354 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.983 17.232 -9.950 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.139 15.781 -9.993 1.00 0.00 C ATOM 1088 C ILE A 79 -6.423 15.398 -10.738 1.00 0.00 C ATOM 1089 O ILE A 79 -7.255 16.266 -11.004 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.050 15.249 -8.541 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -6.378 15.342 -7.783 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -3.945 15.970 -7.739 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -6.256 14.832 -6.348 1.00 0.00 C ATOM 0 H ILE A 79 -5.799 17.723 -9.583 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.341 15.306 -10.563 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.797 14.193 -8.634 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.717 16.378 -7.772 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.137 14.764 -8.310 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.912 15.571 -6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.981 15.811 -8.223 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.161 17.038 -7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.221 14.917 -5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.943 13.788 -6.358 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.517 15.427 -5.812 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.580 14.107 -11.079 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.744 13.586 -11.798 1.00 0.00 C ATOM 1107 C ASN A 80 -8.789 13.046 -10.821 1.00 0.00 C ATOM 1108 O ASN A 80 -8.495 12.855 -9.640 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.342 12.588 -12.889 1.00 0.00 C ATOM 1110 CG ASN A 80 -6.412 11.501 -12.369 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -6.822 10.647 -11.585 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -5.154 11.550 -12.811 1.00 0.00 N ATOM 0 H ASN A 80 -5.889 13.390 -10.857 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.219 14.410 -12.329 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.238 12.127 -13.304 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.852 13.122 -13.703 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.476 10.855 -12.498 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.870 12.282 -13.462 1.00 0.00 H new ATOM 1119 N THR A 81 -10.008 12.789 -11.325 1.00 0.00 N ATOM 1120 CA THR A 81 -11.135 12.330 -10.523 1.00 0.00 C ATOM 1121 C THR A 81 -11.199 10.917 -9.991 1.00 0.00 C ATOM 1122 O THR A 81 -12.235 10.529 -9.448 1.00 0.00 O ATOM 1123 CB THR A 81 -12.462 12.883 -11.056 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.456 12.902 -10.051 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.924 12.050 -12.246 1.00 0.00 C ATOM 0 H THR A 81 -10.232 12.898 -12.314 1.00 0.00 H new ATOM 0 HA THR A 81 -10.898 12.787 -9.562 1.00 0.00 H new ATOM 0 HB THR A 81 -12.300 13.912 -11.376 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.380 12.095 -9.500 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.867 12.445 -12.623 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.172 12.093 -13.034 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.063 11.015 -11.934 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.126 10.144 -10.122 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.122 8.836 -9.527 1.00 0.00 C ATOM 1135 C ASN A 82 -9.517 9.333 -8.214 1.00 0.00 C ATOM 1136 O ASN A 82 -10.230 9.783 -7.317 1.00 0.00 O ATOM 1137 CB ASN A 82 -9.272 7.859 -10.357 1.00 0.00 C ATOM 1138 CG ASN A 82 -10.033 7.399 -11.596 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -10.099 8.121 -12.589 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -10.604 6.193 -11.545 1.00 0.00 N ATOM 0 H ASN A 82 -9.275 10.401 -10.623 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.039 8.254 -9.435 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.341 8.342 -10.655 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.003 6.996 -9.748 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.120 5.838 -12.350 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.525 5.626 -10.701 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.199 9.225 -8.132 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.340 9.663 -7.048 1.00 0.00 C ATOM 1149 C CYS A 83 -5.871 9.677 -7.470 1.00 0.00 C ATOM 1150 O CYS A 83 -5.072 9.039 -6.785 1.00 0.00 O ATOM 1151 CB CYS A 83 -7.644 9.058 -5.668 1.00 0.00 C ATOM 1152 SG CYS A 83 -6.861 9.981 -4.308 1.00 0.00 S ATOM 0 H CYS A 83 -7.662 8.793 -8.884 1.00 0.00 H new ATOM 0 HA CYS A 83 -7.600 10.704 -6.858 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.723 9.038 -5.514 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.300 8.024 -5.645 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.489 10.358 -8.561 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.095 10.345 -8.999 1.00 0.00 C ATOM 1159 C GLU A 84 -3.584 11.728 -9.403 1.00 0.00 C ATOM 1160 O GLU A 84 -4.187 12.416 -10.224 1.00 0.00 O ATOM 1161 CB GLU A 84 -3.938 9.306 -10.120 1.00 0.00 C ATOM 1162 CG GLU A 84 -2.484 8.990 -10.496 1.00 0.00 C ATOM 1163 CD GLU A 84 -1.854 7.920 -9.602 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -1.994 8.035 -8.366 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -1.236 6.997 -10.177 1.00 0.00 O ATOM 0 H GLU A 84 -6.116 10.913 -9.143 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.467 10.057 -8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.430 8.383 -9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.459 9.666 -11.007 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.447 8.657 -11.533 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.892 9.903 -10.433 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.447 12.101 -8.804 1.00 0.00 N ATOM 1173 CA TYR A 85 -1.715 13.343 -8.999 1.00 0.00 C ATOM 1174 C TYR A 85 -1.113 13.325 -10.404 1.00 0.00 C ATOM 1175 O TYR A 85 -0.338 12.424 -10.728 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.676 13.448 -7.861 1.00 0.00 C ATOM 1177 CG TYR A 85 0.597 14.250 -8.090 1.00 0.00 C ATOM 1178 CD1 TYR A 85 0.593 15.428 -8.857 1.00 0.00 C ATOM 1179 CD2 TYR A 85 1.805 13.803 -7.511 1.00 0.00 C ATOM 1180 CE1 TYR A 85 1.788 16.135 -9.062 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.998 14.515 -7.719 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.991 15.681 -8.498 1.00 0.00 C ATOM 1183 OH TYR A 85 4.151 16.367 -8.711 1.00 0.00 O ATOM 0 H TYR A 85 -1.988 11.495 -8.124 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.343 14.232 -8.945 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.181 13.874 -6.994 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.381 12.434 -7.591 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.329 15.789 -9.288 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.812 12.909 -6.905 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.782 17.035 -9.658 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.920 14.165 -7.279 1.00 0.00 H new ATOM 0 HH TYR A 85 4.888 15.916 -8.248 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.469 14.326 -11.226 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.009 14.439 -12.602 1.00 0.00 C ATOM 1195 C ALA A 86 -0.064 15.629 -12.789 1.00 0.00 C ATOM 1196 O ALA A 86 1.053 15.445 -13.270 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.230 14.510 -13.524 1.00 0.00 C ATOM 0 H ALA A 86 -2.091 15.083 -10.942 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.423 13.558 -12.864 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.900 14.595 -14.559 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.828 13.606 -13.407 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.833 15.380 -13.263 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.501 16.837 -12.403 1.00 0.00 N ATOM 1204 CA GLY A 87 0.262 18.070 -12.537 1.00 0.00 C ATOM 1205 C GLY A 87 0.556 18.763 -11.209 1.00 0.00 C ATOM 1206 O GLY A 87 -0.155 18.580 -10.226 1.00 0.00 O ATOM 0 H GLY A 87 -1.418 16.978 -11.980 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.205 17.850 -13.037 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.287 18.757 -13.181 1.00 0.00 H new ATOM 1210 N ALA A 88 1.633 19.557 -11.208 1.00 0.00 N ATOM 1211 CA ALA A 88 2.133 20.360 -10.103 1.00 0.00 C ATOM 1212 C ALA A 88 2.782 21.569 -10.760 1.00 0.00 C ATOM 1213 O ALA A 88 3.896 21.457 -11.271 1.00 0.00 O ATOM 1214 CB ALA A 88 3.131 19.590 -9.233 1.00 0.00 C ATOM 0 H ALA A 88 2.213 19.657 -12.041 1.00 0.00 H new ATOM 0 HA ALA A 88 1.331 20.644 -9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.476 20.231 -8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.646 18.707 -8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.982 19.283 -9.841 1.00 0.00 H new ATOM 1220 N ILE A 89 2.081 22.708 -10.749 1.00 0.00 N ATOM 1221 CA ILE A 89 2.536 23.948 -11.363 1.00 0.00 C ATOM 1222 C ILE A 89 2.828 25.024 -10.313 1.00 0.00 C ATOM 1223 O ILE A 89 2.301 24.974 -9.202 1.00 0.00 O ATOM 1224 CB ILE A 89 1.540 24.380 -12.451 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.155 24.716 -11.874 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.463 23.295 -13.535 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.787 25.245 -12.960 1.00 0.00 C ATOM 0 H ILE A 89 1.167 22.789 -10.304 1.00 0.00 H new ATOM 0 HA ILE A 89 3.493 23.784 -11.859 1.00 0.00 H new ATOM 0 HB ILE A 89 1.903 25.303 -12.904 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.277 23.825 -11.417 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.258 25.461 -11.085 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.757 23.601 -14.307 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.448 23.155 -13.980 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.129 22.358 -13.089 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.758 25.473 -12.520 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.365 26.150 -13.398 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.909 24.489 -13.736 1.00 0.00 H new ATOM 1239 N THR A 90 3.674 25.996 -10.685 1.00 0.00 N ATOM 1240 CA THR A 90 4.114 27.095 -9.834 1.00 0.00 C ATOM 1241 C THR A 90 4.566 28.316 -10.650 1.00 0.00 C ATOM 1242 O THR A 90 4.951 28.170 -11.810 1.00 0.00 O ATOM 1243 CB THR A 90 5.297 26.567 -9.002 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.855 27.583 -8.196 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.411 26.001 -9.898 1.00 0.00 C ATOM 0 H THR A 90 4.081 26.034 -11.620 1.00 0.00 H new ATOM 0 HA THR A 90 3.285 27.424 -9.208 1.00 0.00 H new ATOM 0 HB THR A 90 4.896 25.774 -8.371 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.137 28.067 -7.736 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.229 25.638 -9.276 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.016 25.179 -10.494 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.779 26.785 -10.560 1.00 0.00 H new ATOM 1253 N HIS A 91 4.506 29.520 -10.049 1.00 0.00 N ATOM 1254 CA HIS A 91 4.966 30.751 -10.704 1.00 0.00 C ATOM 1255 C HIS A 91 6.505 30.885 -10.612 1.00 0.00 C ATOM 1256 O HIS A 91 7.045 31.902 -11.045 1.00 0.00 O ATOM 1257 CB HIS A 91 4.387 32.070 -10.138 1.00 0.00 C ATOM 1258 CG HIS A 91 2.917 32.335 -10.331 1.00 0.00 C ATOM 1259 ND1 HIS A 91 2.330 33.536 -9.965 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.899 31.577 -10.836 1.00 0.00 C ATOM 1261 CE1 HIS A 91 1.021 33.445 -10.254 1.00 0.00 C ATOM 1262 NE2 HIS A 91 0.695 32.271 -10.798 1.00 0.00 N ATOM 0 H HIS A 91 4.141 29.662 -9.107 1.00 0.00 H new ATOM 0 HA HIS A 91 4.606 30.633 -11.726 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.593 32.094 -9.068 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.938 32.897 -10.587 1.00 0.00 H new ATOM 0 HD2 HIS A 91 2.014 30.572 -11.215 1.00 0.00 H new ATOM 0 HE1 HIS A 91 0.310 34.236 -10.066 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.223 31.956 -11.112 1.00 0.00 H new ATOM 1270 N THR A 92 7.221 29.892 -10.054 1.00 0.00 N ATOM 1271 CA THR A 92 8.674 29.913 -9.861 1.00 0.00 C ATOM 1272 C THR A 92 9.512 30.432 -11.034 1.00 0.00 C ATOM 1273 O THR A 92 10.487 31.149 -10.814 1.00 0.00 O ATOM 1274 CB THR A 92 9.175 28.566 -9.317 1.00 0.00 C ATOM 1275 OG1 THR A 92 10.321 28.776 -8.519 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.518 27.588 -10.441 1.00 0.00 C ATOM 0 H THR A 92 6.789 29.032 -9.717 1.00 0.00 H new ATOM 0 HA THR A 92 8.838 30.681 -9.105 1.00 0.00 H new ATOM 0 HB THR A 92 8.371 28.130 -8.724 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.067 28.768 -7.573 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.868 26.649 -10.012 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.630 27.402 -11.045 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.301 28.014 -11.068 1.00 0.00 H new ATOM 1284 N GLY A 93 9.129 30.076 -12.264 1.00 0.00 N ATOM 1285 CA GLY A 93 9.801 30.484 -13.490 1.00 0.00 C ATOM 1286 C GLY A 93 8.780 31.053 -14.470 1.00 0.00 C ATOM 1287 O GLY A 93 8.813 30.731 -15.655 1.00 0.00 O ATOM 0 H GLY A 93 8.319 29.479 -12.433 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.562 31.232 -13.268 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.313 29.632 -13.937 1.00 0.00 H new ATOM 1291 N ALA A 94 7.881 31.900 -13.954 1.00 0.00 N ATOM 1292 CA ALA A 94 6.818 32.555 -14.700 1.00 0.00 C ATOM 1293 C ALA A 94 7.078 34.053 -14.817 1.00 0.00 C ATOM 1294 O ALA A 94 7.769 34.636 -13.982 1.00 0.00 O ATOM 1295 CB ALA A 94 5.506 32.346 -13.949 1.00 0.00 C ATOM 0 H ALA A 94 7.881 32.153 -12.966 1.00 0.00 H new ATOM 0 HA ALA A 94 6.773 32.129 -15.702 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.695 32.830 -14.492 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.301 31.279 -13.865 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.584 32.780 -12.952 1.00 0.00 H new ATOM 1301 N SER A 95 6.505 34.666 -15.861 1.00 0.00 N ATOM 1302 CA SER A 95 6.614 36.093 -16.120 1.00 0.00 C ATOM 1303 C SER A 95 5.460 36.801 -15.410 1.00 0.00 C ATOM 1304 O SER A 95 4.614 37.436 -16.041 1.00 0.00 O ATOM 1305 CB SER A 95 6.620 36.349 -17.627 1.00 0.00 C ATOM 1306 OG SER A 95 6.881 37.710 -17.893 1.00 0.00 O ATOM 0 H SER A 95 5.946 34.170 -16.555 1.00 0.00 H new ATOM 0 HA SER A 95 7.551 36.491 -15.730 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.376 35.727 -18.105 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.658 36.066 -18.054 1.00 0.00 H new ATOM 0 HG SER A 95 6.883 37.859 -18.862 1.00 0.00 H new ATOM 1312 N GLY A 96 5.434 36.669 -14.080 1.00 0.00 N ATOM 1313 CA GLY A 96 4.442 37.273 -13.210 1.00 0.00 C ATOM 1314 C GLY A 96 3.301 36.314 -12.875 1.00 0.00 C ATOM 1315 O GLY A 96 3.362 35.623 -11.860 1.00 0.00 O ATOM 0 H GLY A 96 6.128 36.120 -13.572 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.922 37.599 -12.287 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.036 38.163 -13.690 1.00 0.00 H new ATOM 1319 N ASN A 97 2.269 36.269 -13.731 1.00 0.00 N ATOM 1320 CA ASN A 97 1.080 35.440 -13.543 1.00 0.00 C ATOM 1321 C ASN A 97 1.108 34.102 -14.288 1.00 0.00 C ATOM 1322 O ASN A 97 0.201 33.294 -14.090 1.00 0.00 O ATOM 1323 CB ASN A 97 -0.165 36.243 -13.951 1.00 0.00 C ATOM 1324 CG ASN A 97 -0.226 37.595 -13.244 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -0.579 37.667 -12.069 1.00 0.00 O ATOM 1326 ND2 ASN A 97 0.121 38.669 -13.960 1.00 0.00 N ATOM 0 H ASN A 97 2.242 36.821 -14.589 1.00 0.00 H new ATOM 0 HA ASN A 97 1.054 35.180 -12.485 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.160 36.397 -15.030 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.061 35.669 -13.715 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.099 39.595 -13.533 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.408 38.562 -14.933 1.00 0.00 H new ATOM 1333 N ASN A 98 2.118 33.844 -15.131 1.00 0.00 N ATOM 1334 CA ASN A 98 2.216 32.598 -15.892 1.00 0.00 C ATOM 1335 C ASN A 98 2.514 31.417 -14.958 1.00 0.00 C ATOM 1336 O ASN A 98 2.524 31.569 -13.738 1.00 0.00 O ATOM 1337 CB ASN A 98 3.256 32.738 -17.019 1.00 0.00 C ATOM 1338 CG ASN A 98 2.947 33.873 -17.995 1.00 0.00 C ATOM 1339 OD1 ASN A 98 1.867 34.462 -17.968 1.00 0.00 O ATOM 1340 ND2 ASN A 98 3.905 34.176 -18.873 1.00 0.00 N ATOM 0 H ASN A 98 2.886 34.493 -15.302 1.00 0.00 H new ATOM 0 HA ASN A 98 1.257 32.391 -16.366 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.238 32.906 -16.578 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.311 31.800 -17.571 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.755 34.920 -19.555 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.787 33.664 -18.863 1.00 0.00 H new ATOM 1347 N PHE A 99 2.765 30.232 -15.525 1.00 0.00 N ATOM 1348 CA PHE A 99 3.040 29.024 -14.759 1.00 0.00 C ATOM 1349 C PHE A 99 4.023 28.111 -15.492 1.00 0.00 C ATOM 1350 O PHE A 99 4.121 28.139 -16.718 1.00 0.00 O ATOM 1351 CB PHE A 99 1.716 28.265 -14.561 1.00 0.00 C ATOM 1352 CG PHE A 99 0.969 28.622 -13.295 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.390 28.048 -12.088 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.131 29.498 -13.305 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.741 28.352 -10.884 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -0.787 29.808 -12.098 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.342 29.244 -10.888 1.00 0.00 C ATOM 0 H PHE A 99 2.782 30.089 -16.535 1.00 0.00 H new ATOM 0 HA PHE A 99 3.482 29.308 -13.804 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.069 28.460 -15.416 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.923 27.195 -14.556 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.225 27.363 -12.086 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.471 29.931 -14.234 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.072 27.903 -9.959 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.633 30.480 -12.101 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.835 29.498 -9.961 1.00 0.00 H new ATOM 1367 N VAL A 100 4.742 27.303 -14.703 1.00 0.00 N ATOM 1368 CA VAL A 100 5.717 26.312 -15.137 1.00 0.00 C ATOM 1369 C VAL A 100 5.586 25.103 -14.216 1.00 0.00 C ATOM 1370 O VAL A 100 5.007 25.197 -13.137 1.00 0.00 O ATOM 1371 CB VAL A 100 7.155 26.851 -15.168 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.340 27.840 -16.319 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.579 27.470 -13.835 1.00 0.00 C ATOM 0 H VAL A 100 4.649 27.330 -13.688 1.00 0.00 H new ATOM 0 HA VAL A 100 5.505 26.032 -16.169 1.00 0.00 H new ATOM 0 HB VAL A 100 7.811 25.997 -15.337 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.366 28.208 -16.321 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.132 27.340 -17.265 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.654 28.678 -16.193 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.603 27.835 -13.913 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.916 28.300 -13.592 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.521 26.717 -13.049 1.00 0.00 H new ATOM 1383 N GLY A 101 6.144 23.971 -14.646 1.00 0.00 N ATOM 1384 CA GLY A 101 6.079 22.713 -13.920 1.00 0.00 C ATOM 1385 C GLY A 101 7.142 22.565 -12.836 1.00 0.00 C ATOM 1386 O GLY A 101 8.220 23.150 -12.923 1.00 0.00 O ATOM 0 H GLY A 101 6.661 23.907 -15.523 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.094 22.620 -13.463 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.181 21.891 -14.629 1.00 0.00 H new ATOM 1390 N CYS A 102 6.807 21.773 -11.808 1.00 0.00 N ATOM 1391 CA CYS A 102 7.674 21.457 -10.683 1.00 0.00 C ATOM 1392 C CYS A 102 8.516 20.235 -11.053 1.00 0.00 C ATOM 1393 O CYS A 102 8.553 19.836 -12.219 1.00 0.00 O ATOM 1394 CB CYS A 102 6.831 21.248 -9.418 1.00 0.00 C ATOM 1395 SG CYS A 102 5.698 22.613 -9.031 1.00 0.00 S ATOM 0 H CYS A 102 5.894 21.324 -11.742 1.00 0.00 H new ATOM 0 HA CYS A 102 8.355 22.279 -10.465 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.251 20.332 -9.531 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.501 21.098 -8.571 1.00 0.00 H new ATOM 1400 N SER A 103 9.202 19.640 -10.072 1.00 0.00 N ATOM 1401 CA SER A 103 10.048 18.482 -10.333 1.00 0.00 C ATOM 1402 C SER A 103 9.181 17.279 -10.706 1.00 0.00 C ATOM 1403 O SER A 103 8.428 16.773 -9.876 1.00 0.00 O ATOM 1404 CB SER A 103 10.944 18.180 -9.133 1.00 0.00 C ATOM 1405 OG SER A 103 11.832 17.128 -9.445 1.00 0.00 O ATOM 0 H SER A 103 9.186 19.942 -9.098 1.00 0.00 H new ATOM 0 HA SER A 103 10.703 18.704 -11.175 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.507 19.071 -8.856 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.333 17.908 -8.272 1.00 0.00 H new ATOM 0 HG SER A 103 12.404 16.942 -8.671 1.00 0.00 H new ATOM 1411 N GLY A 104 9.294 16.840 -11.964 1.00 0.00 N ATOM 1412 CA GLY A 104 8.543 15.723 -12.511 1.00 0.00 C ATOM 1413 C GLY A 104 7.170 16.180 -13.000 1.00 0.00 C ATOM 1414 O GLY A 104 6.158 15.579 -12.643 1.00 0.00 O ATOM 0 H GLY A 104 9.927 17.267 -12.640 1.00 0.00 H new ATOM 0 HA2 GLY A 104 9.097 15.275 -13.336 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.425 14.951 -11.750 1.00 0.00 H new ATOM 1418 N THR A 105 7.143 17.248 -13.810 1.00 0.00 N ATOM 1419 CA THR A 105 5.938 17.820 -14.393 1.00 0.00 C ATOM 1420 C THR A 105 6.319 18.396 -15.756 1.00 0.00 C ATOM 1421 O THR A 105 6.837 19.509 -15.836 1.00 0.00 O ATOM 1422 CB THR A 105 5.329 18.896 -13.477 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.048 18.375 -12.194 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.029 19.437 -14.087 1.00 0.00 C ATOM 0 H THR A 105 7.990 17.747 -14.081 1.00 0.00 H new ATOM 0 HA THR A 105 5.173 17.053 -14.510 1.00 0.00 H new ATOM 0 HB THR A 105 6.059 19.700 -13.382 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.129 18.603 -11.942 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.608 20.198 -13.430 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.240 19.876 -15.062 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.315 18.622 -14.203 1.00 0.00 H new ATOM 1432 N ASN A 106 6.066 17.624 -16.820 1.00 0.00 N ATOM 1433 CA ASN A 106 6.370 17.995 -18.196 1.00 0.00 C ATOM 1434 C ASN A 106 5.063 18.315 -18.921 1.00 0.00 C ATOM 1435 O ASN A 106 4.668 19.501 -18.866 1.00 0.00 O ATOM 1436 CB ASN A 106 7.149 16.861 -18.883 1.00 0.00 C ATOM 1437 CG ASN A 106 8.554 16.661 -18.304 1.00 0.00 C ATOM 1438 OD1 ASN A 106 8.753 16.703 -17.092 1.00 0.00 O ATOM 1439 ND2 ASN A 106 9.539 16.431 -19.178 1.00 0.00 N ATOM 1440 OXT ASN A 106 4.379 17.347 -19.320 1.00 0.00 O ATOM 0 H ASN A 106 5.634 16.704 -16.740 1.00 0.00 H new ATOM 0 HA ASN A 106 7.002 18.883 -18.222 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.587 15.932 -18.787 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.229 17.076 -19.949 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.492 16.284 -18.845 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.338 16.403 -20.178 1.00 0.00 H new