USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 673 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 80 ASN : amide:sc= 0.37 K(o=1.6,f=-3.4!) USER MOD Set 1.2: A 81 THR OG1 : rot -66:sc= 1.2 USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= -0.0635 USER MOD Set 2.2: A 41 THR OG1 : rot 26:sc= 0.521 USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 106:sc= 0.0127 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.165 X(o=-0.17,f=-0.023) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 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=-0.00927 K(o=-0.0093,f=-0.87) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.96) 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) USER MOD Single : A 29 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.19) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 20:sc= 0.713 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -0.271 K(o=-0.27,f=-5.3!) USER MOD Single : A 42 TYR OH : rot -79:sc= 0.337 USER MOD Single : A 43 ASN : amide:sc= -0.0233 K(o=-0.023,f=-1.2) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 45 TYR OH : rot -144:sc= 0.019 USER MOD Single : A 56 TYR OH : rot -53:sc= 0.563 USER MOD Single : A 57 GLN : amide:sc= -5.52! X(o=-5.5!,f=-6) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 58:sc= 0.0578 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 46:sc= 0.277 USER MOD Single : A 71 SER OG : rot 180:sc= 0 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 170:sc= 0.00735 USER MOD Single : A 91 HIS : no HD1:sc= -0.913 K(o=-0.91,f=-3.5!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc=-0.000696 X(o=-0.0007,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.905 K(o=-0.9,f=-8.8!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 3.033 8.856 -5.275 1.00 0.00 N HETATM 2 CA PCA A 1 3.338 10.275 -5.047 1.00 0.00 C HETATM 3 CB PCA A 1 2.466 10.722 -3.868 1.00 0.00 C HETATM 4 CG PCA A 1 1.230 9.817 -3.940 1.00 0.00 C HETATM 5 CD PCA A 1 1.766 8.551 -4.602 1.00 0.00 C HETATM 6 OE PCA A 1 1.196 7.463 -4.578 1.00 0.00 O HETATM 7 C PCA A 1 4.824 10.499 -4.779 1.00 0.00 C HETATM 8 O PCA A 1 5.441 9.725 -4.049 1.00 0.00 O HETATM 0 H2 PCA A 1 2.015 8.744 -5.453 1.00 0.00 H new HETATM 0 HA PCA A 1 3.116 10.868 -5.934 1.00 0.00 H new HETATM 0 HB2 PCA A 1 2.990 10.604 -2.920 1.00 0.00 H new HETATM 0 HB3 PCA A 1 2.193 11.774 -3.952 1.00 0.00 H new HETATM 0 HG2 PCA A 1 0.822 9.612 -2.950 1.00 0.00 H new HETATM 0 HG3 PCA A 1 0.431 10.271 -4.526 1.00 0.00 H new ATOM 15 N SER A 2 5.387 11.552 -5.384 1.00 0.00 N ATOM 16 CA SER A 2 6.783 11.942 -5.250 1.00 0.00 C ATOM 17 C SER A 2 6.882 13.411 -4.845 1.00 0.00 C ATOM 18 O SER A 2 5.976 14.198 -5.120 1.00 0.00 O ATOM 19 CB SER A 2 7.500 11.693 -6.580 1.00 0.00 C ATOM 20 OG SER A 2 6.962 12.510 -7.599 1.00 0.00 O ATOM 0 H SER A 2 4.860 12.172 -5.999 1.00 0.00 H new ATOM 0 HA SER A 2 7.260 11.347 -4.471 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.565 11.897 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.404 10.644 -6.860 1.00 0.00 H new ATOM 0 HG SER A 2 7.434 12.337 -8.440 1.00 0.00 H new ATOM 26 N ALA A 3 7.990 13.768 -4.184 1.00 0.00 N ATOM 27 CA ALA A 3 8.287 15.115 -3.726 1.00 0.00 C ATOM 28 C ALA A 3 8.269 16.103 -4.892 1.00 0.00 C ATOM 29 O ALA A 3 8.847 15.838 -5.945 1.00 0.00 O ATOM 30 CB ALA A 3 9.650 15.121 -3.030 1.00 0.00 C ATOM 0 H ALA A 3 8.723 13.099 -3.950 1.00 0.00 H new ATOM 0 HA ALA A 3 7.520 15.429 -3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.878 16.129 -2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.626 14.442 -2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.418 14.796 -3.732 1.00 0.00 H new ATOM 36 N THR A 4 7.603 17.244 -4.683 1.00 0.00 N ATOM 37 CA THR A 4 7.455 18.305 -5.666 1.00 0.00 C ATOM 38 C THR A 4 8.504 19.379 -5.403 1.00 0.00 C ATOM 39 O THR A 4 8.539 19.940 -4.311 1.00 0.00 O ATOM 40 CB THR A 4 6.053 18.932 -5.552 1.00 0.00 C ATOM 41 OG1 THR A 4 5.682 19.050 -4.200 1.00 0.00 O ATOM 42 CG2 THR A 4 4.983 18.145 -6.313 1.00 0.00 C ATOM 0 H THR A 4 7.142 17.454 -3.798 1.00 0.00 H new ATOM 0 HA THR A 4 7.585 17.891 -6.666 1.00 0.00 H new ATOM 0 HB THR A 4 6.115 19.919 -6.011 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.737 19.989 -3.926 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.017 18.636 -6.195 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.243 18.106 -7.371 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.926 17.131 -5.916 1.00 0.00 H new ATOM 50 N THR A 5 9.366 19.658 -6.384 1.00 0.00 N ATOM 51 CA THR A 5 10.380 20.671 -6.327 1.00 0.00 C ATOM 52 C THR A 5 9.892 21.619 -7.422 1.00 0.00 C ATOM 53 O THR A 5 10.098 21.390 -8.614 1.00 0.00 O ATOM 54 CB THR A 5 11.740 19.998 -6.535 1.00 0.00 C ATOM 55 OG1 THR A 5 12.229 19.538 -5.293 1.00 0.00 O ATOM 56 CG2 THR A 5 12.709 20.990 -7.142 1.00 0.00 C ATOM 0 H THR A 5 9.362 19.153 -7.270 1.00 0.00 H new ATOM 0 HA THR A 5 10.524 21.219 -5.396 1.00 0.00 H new ATOM 0 HB THR A 5 11.631 19.151 -7.212 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.099 19.105 -5.424 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.676 20.510 -7.290 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.324 21.334 -8.102 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.825 21.842 -6.472 1.00 0.00 H new ATOM 64 N CYS A 6 9.220 22.686 -6.984 1.00 0.00 N ATOM 65 CA CYS A 6 8.628 23.706 -7.830 1.00 0.00 C ATOM 66 C CYS A 6 9.500 24.957 -7.808 1.00 0.00 C ATOM 67 O CYS A 6 9.318 25.834 -6.965 1.00 0.00 O ATOM 68 CB CYS A 6 7.192 23.943 -7.340 1.00 0.00 C ATOM 69 SG CYS A 6 5.907 23.120 -8.318 1.00 0.00 S ATOM 0 H CYS A 6 9.072 22.863 -5.991 1.00 0.00 H new ATOM 0 HA CYS A 6 8.577 23.396 -8.874 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.115 23.604 -6.307 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.996 25.015 -7.339 1.00 0.00 H new ATOM 74 N GLY A 7 10.454 25.015 -8.748 1.00 0.00 N ATOM 75 CA GLY A 7 11.387 26.115 -8.922 1.00 0.00 C ATOM 76 C GLY A 7 12.444 26.111 -7.820 1.00 0.00 C ATOM 77 O GLY A 7 13.585 25.716 -8.053 1.00 0.00 O ATOM 0 H GLY A 7 10.594 24.267 -9.427 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.871 26.037 -9.896 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.846 27.061 -8.910 1.00 0.00 H new ATOM 81 N SER A 8 12.041 26.561 -6.627 1.00 0.00 N ATOM 82 CA SER A 8 12.858 26.641 -5.428 1.00 0.00 C ATOM 83 C SER A 8 12.096 26.052 -4.237 1.00 0.00 C ATOM 84 O SER A 8 12.677 25.307 -3.449 1.00 0.00 O ATOM 85 CB SER A 8 13.241 28.104 -5.179 1.00 0.00 C ATOM 86 OG SER A 8 14.062 28.206 -4.037 1.00 0.00 O ATOM 0 H SER A 8 11.089 26.893 -6.472 1.00 0.00 H new ATOM 0 HA SER A 8 13.771 26.060 -5.558 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.764 28.503 -6.048 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.342 28.705 -5.044 1.00 0.00 H new ATOM 0 HG SER A 8 14.301 29.145 -3.889 1.00 0.00 H new ATOM 92 N THR A 9 10.801 26.378 -4.112 1.00 0.00 N ATOM 93 CA THR A 9 9.956 25.907 -3.026 1.00 0.00 C ATOM 94 C THR A 9 9.731 24.405 -3.188 1.00 0.00 C ATOM 95 O THR A 9 9.080 23.972 -4.140 1.00 0.00 O ATOM 96 CB THR A 9 8.629 26.684 -2.995 1.00 0.00 C ATOM 97 OG1 THR A 9 8.880 28.072 -3.072 1.00 0.00 O ATOM 98 CG2 THR A 9 7.876 26.389 -1.691 1.00 0.00 C ATOM 0 H THR A 9 10.314 26.983 -4.774 1.00 0.00 H new ATOM 0 HA THR A 9 10.449 26.084 -2.070 1.00 0.00 H new ATOM 0 HB THR A 9 8.025 26.371 -3.847 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.030 28.560 -3.053 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.938 26.944 -1.679 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.667 25.321 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.488 26.692 -0.841 1.00 0.00 H new ATOM 106 N ASN A 10 10.287 23.624 -2.255 1.00 0.00 N ATOM 107 CA ASN A 10 10.203 22.173 -2.240 1.00 0.00 C ATOM 108 C ASN A 10 9.168 21.700 -1.222 1.00 0.00 C ATOM 109 O ASN A 10 8.896 22.389 -0.238 1.00 0.00 O ATOM 110 CB ASN A 10 11.589 21.574 -1.952 1.00 0.00 C ATOM 111 CG ASN A 10 12.106 21.910 -0.552 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.913 21.135 0.383 1.00 0.00 O ATOM 113 ND2 ASN A 10 12.769 23.059 -0.404 1.00 0.00 N ATOM 0 H ASN A 10 10.820 24.001 -1.472 1.00 0.00 H new ATOM 0 HA ASN A 10 9.876 21.826 -3.220 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.541 20.491 -2.066 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.299 21.941 -2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.137 23.321 0.510 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.908 23.675 -1.205 1.00 0.00 H new ATOM 120 N TYR A 11 8.586 20.522 -1.477 1.00 0.00 N ATOM 121 CA TYR A 11 7.595 19.892 -0.617 1.00 0.00 C ATOM 122 C TYR A 11 7.817 18.381 -0.660 1.00 0.00 C ATOM 123 O TYR A 11 8.151 17.828 -1.708 1.00 0.00 O ATOM 124 CB TYR A 11 6.153 20.212 -1.041 1.00 0.00 C ATOM 125 CG TYR A 11 5.843 21.629 -1.490 1.00 0.00 C ATOM 126 CD1 TYR A 11 6.251 22.070 -2.764 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.134 22.504 -0.648 1.00 0.00 C ATOM 128 CE1 TYR A 11 5.964 23.376 -3.188 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.837 23.808 -1.081 1.00 0.00 C ATOM 130 CZ TYR A 11 5.246 24.243 -2.351 1.00 0.00 C ATOM 131 OH TYR A 11 4.956 25.509 -2.766 1.00 0.00 O ATOM 0 H TYR A 11 8.801 19.973 -2.309 1.00 0.00 H new ATOM 0 HA TYR A 11 7.722 20.284 0.392 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.886 19.537 -1.854 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.498 19.976 -0.203 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.788 21.399 -3.418 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.818 22.174 0.331 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.296 23.714 -4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.291 24.478 -0.433 1.00 0.00 H new ATOM 0 HH TYR A 11 4.453 25.975 -2.066 1.00 0.00 H new ATOM 141 N SER A 12 7.612 17.723 0.487 1.00 0.00 N ATOM 142 CA SER A 12 7.785 16.292 0.663 1.00 0.00 C ATOM 143 C SER A 12 6.731 15.530 -0.112 1.00 0.00 C ATOM 144 O SER A 12 5.654 16.057 -0.389 1.00 0.00 O ATOM 145 CB SER A 12 7.699 15.978 2.162 1.00 0.00 C ATOM 146 OG SER A 12 8.078 14.643 2.430 1.00 0.00 O ATOM 0 H SER A 12 7.312 18.195 1.340 1.00 0.00 H new ATOM 0 HA SER A 12 8.757 15.982 0.279 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.344 16.660 2.716 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.681 16.147 2.513 1.00 0.00 H new ATOM 0 HG SER A 12 8.015 14.472 3.393 1.00 0.00 H new ATOM 152 N ALA A 13 7.060 14.283 -0.469 1.00 0.00 N ATOM 153 CA ALA A 13 6.129 13.400 -1.149 1.00 0.00 C ATOM 154 C ALA A 13 4.915 13.224 -0.222 1.00 0.00 C ATOM 155 O ALA A 13 3.835 12.850 -0.674 1.00 0.00 O ATOM 156 CB ALA A 13 6.812 12.053 -1.404 1.00 0.00 C ATOM 0 H ALA A 13 7.975 13.868 -0.292 1.00 0.00 H new ATOM 0 HA ALA A 13 5.813 13.809 -2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.119 11.384 -1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.694 12.204 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.110 11.610 -0.453 1.00 0.00 H new ATOM 162 N SER A 14 5.115 13.514 1.078 1.00 0.00 N ATOM 163 CA SER A 14 4.114 13.442 2.123 1.00 0.00 C ATOM 164 C SER A 14 3.140 14.612 1.973 1.00 0.00 C ATOM 165 O SER A 14 1.942 14.417 2.148 1.00 0.00 O ATOM 166 CB SER A 14 4.802 13.468 3.493 1.00 0.00 C ATOM 167 OG SER A 14 3.843 13.345 4.522 1.00 0.00 O ATOM 0 H SER A 14 6.024 13.817 1.429 1.00 0.00 H new ATOM 0 HA SER A 14 3.552 12.512 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.525 12.655 3.561 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.357 14.399 3.612 1.00 0.00 H new ATOM 0 HG SER A 14 4.293 13.361 5.392 1.00 0.00 H new ATOM 173 N GLN A 15 3.639 15.820 1.661 1.00 0.00 N ATOM 174 CA GLN A 15 2.808 17.005 1.473 1.00 0.00 C ATOM 175 C GLN A 15 1.953 16.878 0.217 1.00 0.00 C ATOM 176 O GLN A 15 0.776 17.229 0.240 1.00 0.00 O ATOM 177 CB GLN A 15 3.674 18.268 1.440 1.00 0.00 C ATOM 178 CG GLN A 15 4.066 18.677 2.864 1.00 0.00 C ATOM 179 CD GLN A 15 2.980 19.476 3.589 1.00 0.00 C ATOM 180 OE1 GLN A 15 1.845 19.580 3.127 1.00 0.00 O ATOM 181 NE2 GLN A 15 3.336 20.056 4.737 1.00 0.00 N ATOM 0 H GLN A 15 4.636 15.995 1.533 1.00 0.00 H new ATOM 0 HA GLN A 15 2.129 17.089 2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.570 18.088 0.846 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.129 19.079 0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.294 17.781 3.441 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.979 19.272 2.825 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.287 19.948 5.090 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.657 20.607 5.262 1.00 0.00 H new ATOM 190 N VAL A 16 2.550 16.391 -0.874 1.00 0.00 N ATOM 191 CA VAL A 16 1.869 16.175 -2.146 1.00 0.00 C ATOM 192 C VAL A 16 0.724 15.186 -1.917 1.00 0.00 C ATOM 193 O VAL A 16 -0.399 15.426 -2.355 1.00 0.00 O ATOM 194 CB VAL A 16 2.843 15.646 -3.214 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.148 15.520 -4.571 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.019 16.610 -3.385 1.00 0.00 C ATOM 0 H VAL A 16 3.536 16.133 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 16 1.474 17.122 -2.514 1.00 0.00 H new ATOM 0 HB VAL A 16 3.192 14.669 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.857 15.144 -5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.310 14.828 -4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.782 16.498 -4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.700 16.223 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.647 17.586 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.549 16.708 -2.438 1.00 0.00 H new ATOM 206 N ARG A 17 1.021 14.082 -1.214 1.00 0.00 N ATOM 207 CA ARG A 17 0.069 13.025 -0.907 1.00 0.00 C ATOM 208 C ARG A 17 -1.025 13.509 0.046 1.00 0.00 C ATOM 209 O ARG A 17 -2.184 13.159 -0.151 1.00 0.00 O ATOM 210 CB ARG A 17 0.816 11.802 -0.352 1.00 0.00 C ATOM 211 CG ARG A 17 -0.122 10.618 -0.082 1.00 0.00 C ATOM 212 CD ARG A 17 -0.599 10.562 1.377 1.00 0.00 C ATOM 213 NE ARG A 17 -1.885 9.863 1.503 1.00 0.00 N ATOM 214 CZ ARG A 17 -2.075 8.540 1.368 1.00 0.00 C ATOM 215 NH1 ARG A 17 -1.049 7.707 1.136 1.00 0.00 N ATOM 216 NH2 ARG A 17 -3.316 8.042 1.467 1.00 0.00 N ATOM 0 H ARG A 17 1.953 13.904 -0.839 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.437 12.731 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.586 11.498 -1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.324 12.078 0.572 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.988 10.688 -0.741 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.392 9.689 -0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.151 10.057 1.986 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.696 11.575 1.767 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.705 10.432 1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.101 8.075 1.059 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.217 6.706 1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.103 8.666 1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.473 7.039 1.366 1.00 0.00 H new ATOM 230 N ALA A 18 -0.672 14.297 1.073 1.00 0.00 N ATOM 231 CA ALA A 18 -1.629 14.803 2.051 1.00 0.00 C ATOM 232 C ALA A 18 -2.610 15.757 1.372 1.00 0.00 C ATOM 233 O ALA A 18 -3.825 15.626 1.524 1.00 0.00 O ATOM 234 CB ALA A 18 -0.889 15.496 3.196 1.00 0.00 C ATOM 0 H ALA A 18 0.288 14.598 1.243 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.196 13.971 2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.611 15.871 3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.222 14.784 3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.306 16.328 2.801 1.00 0.00 H new ATOM 240 N ALA A 19 -2.064 16.711 0.612 1.00 0.00 N ATOM 241 CA ALA A 19 -2.834 17.694 -0.126 1.00 0.00 C ATOM 242 C ALA A 19 -3.758 16.994 -1.116 1.00 0.00 C ATOM 243 O ALA A 19 -4.887 17.439 -1.309 1.00 0.00 O ATOM 244 CB ALA A 19 -1.890 18.666 -0.834 1.00 0.00 C ATOM 0 H ALA A 19 -1.056 16.816 0.496 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.454 18.267 0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.473 19.402 -1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.270 19.174 -0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.252 18.115 -1.525 1.00 0.00 H new ATOM 250 N ALA A 20 -3.287 15.899 -1.730 1.00 0.00 N ATOM 251 CA ALA A 20 -4.075 15.135 -2.679 1.00 0.00 C ATOM 252 C ALA A 20 -5.133 14.280 -2.008 1.00 0.00 C ATOM 253 O ALA A 20 -6.186 14.063 -2.597 1.00 0.00 O ATOM 254 CB ALA A 20 -3.174 14.337 -3.625 1.00 0.00 C ATOM 0 H ALA A 20 -2.350 15.527 -1.576 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.629 15.848 -3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.790 13.774 -4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.530 15.021 -4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.559 13.647 -3.047 1.00 0.00 H new ATOM 260 N ASN A 21 -4.865 13.784 -0.797 1.00 0.00 N ATOM 261 CA ASN A 21 -5.837 13.008 -0.049 1.00 0.00 C ATOM 262 C ASN A 21 -6.994 13.955 0.311 1.00 0.00 C ATOM 263 O ASN A 21 -8.135 13.512 0.455 1.00 0.00 O ATOM 264 CB ASN A 21 -5.164 12.425 1.205 1.00 0.00 C ATOM 265 CG ASN A 21 -6.163 11.971 2.268 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.274 12.598 3.320 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.897 10.888 2.002 1.00 0.00 N ATOM 0 H ASN A 21 -3.974 13.912 -0.317 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.223 12.170 -0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.542 11.578 0.915 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.501 13.175 1.636 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.579 10.554 2.683 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.776 10.395 1.118 1.00 0.00 H new ATOM 274 N ALA A 22 -6.700 15.264 0.426 1.00 0.00 N ATOM 275 CA ALA A 22 -7.694 16.257 0.811 1.00 0.00 C ATOM 276 C ALA A 22 -8.523 16.556 -0.426 1.00 0.00 C ATOM 277 O ALA A 22 -9.745 16.413 -0.410 1.00 0.00 O ATOM 278 CB ALA A 22 -7.019 17.502 1.392 1.00 0.00 C ATOM 0 H ALA A 22 -5.772 15.650 0.254 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.347 15.886 1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.779 18.231 1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.440 17.224 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.356 17.939 0.645 1.00 0.00 H new ATOM 284 N ALA A 23 -7.823 16.980 -1.485 1.00 0.00 N ATOM 285 CA ALA A 23 -8.374 17.286 -2.793 1.00 0.00 C ATOM 286 C ALA A 23 -9.354 16.192 -3.221 1.00 0.00 C ATOM 287 O ALA A 23 -10.526 16.469 -3.472 1.00 0.00 O ATOM 288 CB ALA A 23 -7.216 17.386 -3.797 1.00 0.00 C ATOM 0 H ALA A 23 -6.814 17.123 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.915 18.231 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.611 17.616 -4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.533 18.177 -3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.681 16.437 -3.831 1.00 0.00 H new ATOM 294 N CYS A 24 -8.855 14.953 -3.287 1.00 0.00 N ATOM 295 CA CYS A 24 -9.594 13.771 -3.684 1.00 0.00 C ATOM 296 C CYS A 24 -10.864 13.582 -2.866 1.00 0.00 C ATOM 297 O CYS A 24 -11.919 13.414 -3.469 1.00 0.00 O ATOM 298 CB CYS A 24 -8.683 12.542 -3.603 1.00 0.00 C ATOM 299 SG CYS A 24 -9.509 10.940 -3.775 1.00 0.00 S ATOM 0 H CYS A 24 -7.883 14.748 -3.053 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.917 13.904 -4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.923 12.624 -4.380 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.162 12.561 -2.645 1.00 0.00 H new ATOM 304 N GLN A 25 -10.783 13.626 -1.528 1.00 0.00 N ATOM 305 CA GLN A 25 -11.941 13.417 -0.666 1.00 0.00 C ATOM 306 C GLN A 25 -13.073 14.405 -0.937 1.00 0.00 C ATOM 307 O GLN A 25 -14.242 14.033 -0.831 1.00 0.00 O ATOM 308 CB GLN A 25 -11.527 13.481 0.814 1.00 0.00 C ATOM 309 CG GLN A 25 -11.232 12.081 1.369 1.00 0.00 C ATOM 310 CD GLN A 25 -12.488 11.209 1.451 1.00 0.00 C ATOM 311 OE1 GLN A 25 -13.604 11.715 1.559 1.00 0.00 O ATOM 312 NE2 GLN A 25 -12.311 9.886 1.395 1.00 0.00 N ATOM 0 H GLN A 25 -9.916 13.807 -1.022 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.325 12.423 -0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.644 14.111 0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.322 13.946 1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.493 11.590 0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.791 12.172 2.362 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.371 9.501 1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.116 9.261 1.442 1.00 0.00 H new ATOM 321 N TYR A 26 -12.728 15.645 -1.293 1.00 0.00 N ATOM 322 CA TYR A 26 -13.717 16.690 -1.550 1.00 0.00 C ATOM 323 C TYR A 26 -14.152 16.802 -3.017 1.00 0.00 C ATOM 324 O TYR A 26 -15.014 17.619 -3.320 1.00 0.00 O ATOM 325 CB TYR A 26 -13.183 18.052 -1.105 1.00 0.00 C ATOM 326 CG TYR A 26 -12.341 18.127 0.163 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.564 17.260 1.253 1.00 0.00 C ATOM 328 CD2 TYR A 26 -11.323 19.095 0.248 1.00 0.00 C ATOM 329 CE1 TYR A 26 -11.761 17.350 2.403 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.532 19.196 1.404 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.745 18.317 2.479 1.00 0.00 C ATOM 332 OH TYR A 26 -9.970 18.404 3.599 1.00 0.00 O ATOM 0 H TYR A 26 -11.762 15.950 -1.410 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.593 16.396 -0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -12.587 18.457 -1.923 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -14.038 18.716 -0.975 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.354 16.525 1.204 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.149 19.765 -0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.925 16.675 3.230 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.760 19.949 1.467 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.315 19.124 3.488 1.00 0.00 H new ATOM 342 N TYR A 27 -13.565 16.012 -3.922 1.00 0.00 N ATOM 343 CA TYR A 27 -13.873 16.020 -5.352 1.00 0.00 C ATOM 344 C TYR A 27 -14.276 14.619 -5.840 1.00 0.00 C ATOM 345 O TYR A 27 -13.935 14.229 -6.953 1.00 0.00 O ATOM 346 CB TYR A 27 -12.667 16.610 -6.111 1.00 0.00 C ATOM 347 CG TYR A 27 -12.905 16.970 -7.576 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.521 18.197 -7.911 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.521 16.085 -8.610 1.00 0.00 C ATOM 350 CE1 TYR A 27 -13.765 18.520 -9.258 1.00 0.00 C ATOM 351 CE2 TYR A 27 -12.773 16.411 -9.950 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.403 17.620 -10.276 1.00 0.00 C ATOM 353 OH TYR A 27 -13.651 17.913 -11.583 1.00 0.00 O ATOM 0 H TYR A 27 -12.845 15.334 -3.672 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.738 16.653 -5.551 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.337 17.507 -5.587 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.847 15.893 -6.063 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.805 18.888 -7.131 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.031 15.154 -8.366 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.231 19.461 -9.511 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.481 15.728 -10.734 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.333 17.179 -12.149 1.00 0.00 H new ATOM 363 N GLN A 28 -15.009 13.846 -5.023 1.00 0.00 N ATOM 364 CA GLN A 28 -15.457 12.510 -5.411 1.00 0.00 C ATOM 365 C GLN A 28 -16.817 12.594 -6.100 1.00 0.00 C ATOM 366 O GLN A 28 -16.902 12.421 -7.315 1.00 0.00 O ATOM 367 CB GLN A 28 -15.495 11.550 -4.213 1.00 0.00 C ATOM 368 CG GLN A 28 -14.119 11.474 -3.556 1.00 0.00 C ATOM 369 CD GLN A 28 -13.987 10.273 -2.624 1.00 0.00 C ATOM 370 OE1 GLN A 28 -14.114 10.409 -1.409 1.00 0.00 O ATOM 371 NE2 GLN A 28 -13.722 9.095 -3.195 1.00 0.00 N ATOM 0 H GLN A 28 -15.302 14.129 -4.088 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.734 12.101 -6.117 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.234 11.890 -3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.805 10.558 -4.542 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.353 11.417 -4.329 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.937 12.389 -2.993 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.625 9.030 -4.208 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.617 8.261 -2.618 1.00 0.00 H new ATOM 380 N ASN A 29 -17.868 12.865 -5.317 1.00 0.00 N ATOM 381 CA ASN A 29 -19.247 12.967 -5.777 1.00 0.00 C ATOM 382 C ASN A 29 -19.983 13.977 -4.899 1.00 0.00 C ATOM 383 O ASN A 29 -20.458 15.000 -5.392 1.00 0.00 O ATOM 384 CB ASN A 29 -19.940 11.594 -5.719 1.00 0.00 C ATOM 385 CG ASN A 29 -19.306 10.575 -6.663 1.00 0.00 C ATOM 386 OD1 ASN A 29 -19.612 10.558 -7.853 1.00 0.00 O ATOM 387 ND2 ASN A 29 -18.423 9.723 -6.135 1.00 0.00 N ATOM 0 H ASN A 29 -17.773 13.024 -4.314 1.00 0.00 H new ATOM 0 HA ASN A 29 -19.263 13.303 -6.814 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.898 11.213 -4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -20.994 11.712 -5.973 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.974 9.023 -6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -18.198 9.772 -5.141 1.00 0.00 H new ATOM 394 N ASP A 30 -20.061 13.683 -3.596 1.00 0.00 N ATOM 395 CA ASP A 30 -20.710 14.509 -2.589 1.00 0.00 C ATOM 396 C ASP A 30 -19.666 15.468 -2.023 1.00 0.00 C ATOM 397 O ASP A 30 -19.322 15.410 -0.843 1.00 0.00 O ATOM 398 CB ASP A 30 -21.332 13.607 -1.513 1.00 0.00 C ATOM 399 CG ASP A 30 -22.385 12.675 -2.108 1.00 0.00 C ATOM 400 OD1 ASP A 30 -23.529 13.147 -2.285 1.00 0.00 O ATOM 401 OD2 ASP A 30 -22.027 11.509 -2.383 1.00 0.00 O ATOM 0 H ASP A 30 -19.657 12.831 -3.207 1.00 0.00 H new ATOM 0 HA ASP A 30 -21.522 15.099 -3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.550 13.017 -1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.786 14.223 -0.737 1.00 0.00 H new ATOM 406 N ASP A 31 -19.166 16.344 -2.902 1.00 0.00 N ATOM 407 CA ASP A 31 -18.153 17.349 -2.617 1.00 0.00 C ATOM 408 C ASP A 31 -18.509 18.207 -1.402 1.00 0.00 C ATOM 409 O ASP A 31 -19.662 18.608 -1.240 1.00 0.00 O ATOM 410 CB ASP A 31 -17.928 18.221 -3.861 1.00 0.00 C ATOM 411 CG ASP A 31 -19.192 18.956 -4.303 1.00 0.00 C ATOM 412 OD1 ASP A 31 -20.012 18.315 -4.996 1.00 0.00 O ATOM 413 OD2 ASP A 31 -19.318 20.144 -3.938 1.00 0.00 O ATOM 0 H ASP A 31 -19.475 16.367 -3.874 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.227 16.831 -2.367 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -17.144 18.949 -3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -17.572 17.595 -4.679 1.00 0.00 H new ATOM 418 N THR A 32 -17.503 18.483 -0.559 1.00 0.00 N ATOM 419 CA THR A 32 -17.643 19.271 0.659 1.00 0.00 C ATOM 420 C THR A 32 -17.038 20.668 0.516 1.00 0.00 C ATOM 421 O THR A 32 -17.555 21.623 1.096 1.00 0.00 O ATOM 422 CB THR A 32 -17.136 18.499 1.884 1.00 0.00 C ATOM 423 OG1 THR A 32 -17.460 19.203 3.065 1.00 0.00 O ATOM 424 CG2 THR A 32 -15.633 18.273 1.829 1.00 0.00 C ATOM 0 H THR A 32 -16.550 18.154 -0.715 1.00 0.00 H new ATOM 0 HA THR A 32 -18.707 19.440 0.828 1.00 0.00 H new ATOM 0 HB THR A 32 -17.625 17.525 1.882 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.135 18.704 3.843 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.315 17.723 2.715 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.384 17.699 0.937 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.121 19.235 1.796 1.00 0.00 H new ATOM 432 N ALA A 33 -15.956 20.790 -0.260 1.00 0.00 N ATOM 433 CA ALA A 33 -15.272 22.051 -0.501 1.00 0.00 C ATOM 434 C ALA A 33 -16.074 22.935 -1.462 1.00 0.00 C ATOM 435 O ALA A 33 -16.925 22.448 -2.206 1.00 0.00 O ATOM 436 CB ALA A 33 -13.866 21.756 -1.020 1.00 0.00 C ATOM 0 H ALA A 33 -15.529 19.999 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 33 -15.187 22.612 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.342 22.694 -1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.319 21.175 -0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.932 21.189 -1.948 1.00 0.00 H new ATOM 442 N GLY A 34 -15.786 24.243 -1.439 1.00 0.00 N ATOM 443 CA GLY A 34 -16.455 25.247 -2.254 1.00 0.00 C ATOM 444 C GLY A 34 -16.151 25.146 -3.749 1.00 0.00 C ATOM 445 O GLY A 34 -15.224 24.452 -4.165 1.00 0.00 O ATOM 0 H GLY A 34 -15.063 24.635 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.531 25.159 -2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -16.165 26.237 -1.902 1.00 0.00 H new ATOM 449 N SER A 35 -16.959 25.861 -4.543 1.00 0.00 N ATOM 450 CA SER A 35 -16.872 25.945 -5.996 1.00 0.00 C ATOM 451 C SER A 35 -16.655 27.412 -6.372 1.00 0.00 C ATOM 452 O SER A 35 -17.498 28.033 -7.017 1.00 0.00 O ATOM 453 CB SER A 35 -18.153 25.367 -6.612 1.00 0.00 C ATOM 454 OG SER A 35 -18.281 24.003 -6.271 1.00 0.00 O ATOM 0 H SER A 35 -17.724 26.420 -4.166 1.00 0.00 H new ATOM 0 HA SER A 35 -16.036 25.363 -6.384 1.00 0.00 H new ATOM 0 HB2 SER A 35 -19.020 25.922 -6.255 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.127 25.478 -7.696 1.00 0.00 H new ATOM 0 HG SER A 35 -19.102 23.643 -6.667 1.00 0.00 H new ATOM 460 N SER A 36 -15.496 27.943 -5.963 1.00 0.00 N ATOM 461 CA SER A 36 -15.039 29.313 -6.154 1.00 0.00 C ATOM 462 C SER A 36 -13.553 29.351 -5.804 1.00 0.00 C ATOM 463 O SER A 36 -12.754 29.929 -6.539 1.00 0.00 O ATOM 464 CB SER A 36 -15.803 30.288 -5.245 1.00 0.00 C ATOM 465 OG SER A 36 -17.130 30.478 -5.684 1.00 0.00 O ATOM 0 H SER A 36 -14.811 27.383 -5.456 1.00 0.00 H new ATOM 0 HA SER A 36 -15.215 29.618 -7.186 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.808 29.906 -4.224 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.286 31.247 -5.224 1.00 0.00 H new ATOM 0 HG SER A 36 -17.392 29.734 -6.266 1.00 0.00 H new ATOM 471 N THR A 37 -13.203 28.729 -4.671 1.00 0.00 N ATOM 472 CA THR A 37 -11.849 28.628 -4.157 1.00 0.00 C ATOM 473 C THR A 37 -11.281 27.220 -4.369 1.00 0.00 C ATOM 474 O THR A 37 -10.453 26.794 -3.567 1.00 0.00 O ATOM 475 CB THR A 37 -11.843 29.033 -2.671 1.00 0.00 C ATOM 476 OG1 THR A 37 -12.688 28.172 -1.933 1.00 0.00 O ATOM 477 CG2 THR A 37 -12.301 30.482 -2.480 1.00 0.00 C ATOM 0 H THR A 37 -13.888 28.268 -4.072 1.00 0.00 H new ATOM 0 HA THR A 37 -11.200 29.310 -4.707 1.00 0.00 H new ATOM 0 HB THR A 37 -10.818 28.948 -2.309 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.678 28.434 -0.989 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.284 30.732 -1.419 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.631 31.150 -3.021 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.315 30.597 -2.864 1.00 0.00 H new ATOM 485 N TYR A 38 -11.721 26.497 -5.422 1.00 0.00 N ATOM 486 CA TYR A 38 -11.252 25.153 -5.779 1.00 0.00 C ATOM 487 C TYR A 38 -11.843 24.163 -4.757 1.00 0.00 C ATOM 488 O TYR A 38 -12.202 24.566 -3.650 1.00 0.00 O ATOM 489 CB TYR A 38 -9.717 25.169 -5.976 1.00 0.00 C ATOM 490 CG TYR A 38 -9.162 26.039 -7.117 1.00 0.00 C ATOM 491 CD1 TYR A 38 -9.772 27.240 -7.548 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.977 25.629 -7.757 1.00 0.00 C ATOM 493 CE1 TYR A 38 -9.220 27.999 -8.589 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.419 26.394 -8.796 1.00 0.00 C ATOM 495 CZ TYR A 38 -8.037 27.579 -9.217 1.00 0.00 C ATOM 496 OH TYR A 38 -7.493 28.308 -10.234 1.00 0.00 O ATOM 0 H TYR A 38 -12.433 26.849 -6.062 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.610 24.801 -6.746 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.261 25.503 -5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.387 24.143 -6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.678 27.578 -7.067 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.491 24.716 -7.446 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.706 28.909 -8.909 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.507 26.066 -9.273 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.675 27.870 -10.550 1.00 0.00 H new ATOM 506 N PRO A 39 -11.971 22.862 -5.066 1.00 0.00 N ATOM 507 CA PRO A 39 -11.549 22.168 -6.269 1.00 0.00 C ATOM 508 C PRO A 39 -12.361 22.483 -7.528 1.00 0.00 C ATOM 509 O PRO A 39 -13.564 22.237 -7.584 1.00 0.00 O ATOM 510 CB PRO A 39 -11.634 20.687 -5.905 1.00 0.00 C ATOM 511 CG PRO A 39 -12.782 20.627 -4.903 1.00 0.00 C ATOM 512 CD PRO A 39 -12.565 21.922 -4.130 1.00 0.00 C ATOM 0 HA PRO A 39 -10.547 22.494 -6.549 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.834 20.070 -6.781 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.702 20.328 -5.468 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.755 20.598 -5.393 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.722 19.749 -4.260 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.508 22.305 -3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.910 21.759 -3.274 1.00 0.00 H new ATOM 520 N HIS A 40 -11.665 23.034 -8.532 1.00 0.00 N ATOM 521 CA HIS A 40 -12.179 23.398 -9.846 1.00 0.00 C ATOM 522 C HIS A 40 -11.691 22.327 -10.820 1.00 0.00 C ATOM 523 O HIS A 40 -11.167 21.300 -10.391 1.00 0.00 O ATOM 524 CB HIS A 40 -11.672 24.797 -10.231 1.00 0.00 C ATOM 525 CG HIS A 40 -12.379 25.929 -9.538 1.00 0.00 C ATOM 526 ND1 HIS A 40 -12.128 27.252 -9.865 1.00 0.00 N ATOM 527 CD2 HIS A 40 -13.335 25.975 -8.550 1.00 0.00 C ATOM 528 CE1 HIS A 40 -12.914 28.013 -9.088 1.00 0.00 C ATOM 529 NE2 HIS A 40 -13.673 27.291 -8.263 1.00 0.00 N ATOM 0 H HIS A 40 -10.672 23.247 -8.436 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.268 23.442 -9.861 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.607 24.858 -10.006 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.778 24.924 -11.308 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -11.468 27.586 -10.567 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -13.763 25.110 -8.066 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.930 29.092 -9.127 1.00 0.00 H new ATOM 537 N THR A 41 -11.868 22.548 -12.127 1.00 0.00 N ATOM 538 CA THR A 41 -11.428 21.607 -13.146 1.00 0.00 C ATOM 539 C THR A 41 -11.199 22.306 -14.483 1.00 0.00 C ATOM 540 O THR A 41 -11.727 23.395 -14.711 1.00 0.00 O ATOM 541 CB THR A 41 -12.405 20.433 -13.240 1.00 0.00 C ATOM 542 OG1 THR A 41 -11.869 19.393 -14.029 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.747 20.883 -13.808 1.00 0.00 C ATOM 0 H THR A 41 -12.319 23.383 -12.501 1.00 0.00 H new ATOM 0 HA THR A 41 -10.462 21.195 -12.856 1.00 0.00 H new ATOM 0 HB THR A 41 -12.566 20.055 -12.230 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.890 19.437 -14.007 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.423 20.030 -13.864 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.179 21.646 -13.160 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.600 21.296 -14.806 1.00 0.00 H new ATOM 551 N TYR A 42 -10.402 21.678 -15.359 1.00 0.00 N ATOM 552 CA TYR A 42 -10.109 22.212 -16.681 1.00 0.00 C ATOM 553 C TYR A 42 -9.764 21.102 -17.675 1.00 0.00 C ATOM 554 O TYR A 42 -9.529 19.957 -17.288 1.00 0.00 O ATOM 555 CB TYR A 42 -9.026 23.298 -16.601 1.00 0.00 C ATOM 556 CG TYR A 42 -7.603 22.828 -16.352 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.836 22.291 -17.403 1.00 0.00 C ATOM 558 CD2 TYR A 42 -7.038 22.939 -15.069 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.515 21.875 -17.173 1.00 0.00 C ATOM 560 CE2 TYR A 42 -5.716 22.525 -14.837 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.949 22.003 -15.893 1.00 0.00 C ATOM 562 OH TYR A 42 -3.660 21.611 -15.683 1.00 0.00 O ATOM 0 H TYR A 42 -9.946 20.787 -15.164 1.00 0.00 H new ATOM 0 HA TYR A 42 -11.011 22.689 -17.065 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.040 23.861 -17.534 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -9.299 23.992 -15.806 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.265 22.199 -18.390 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.624 23.345 -14.258 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.933 21.456 -17.981 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.289 22.608 -13.848 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.625 20.635 -15.596 1.00 0.00 H new ATOM 572 N ASN A 43 -9.746 21.470 -18.963 1.00 0.00 N ATOM 573 CA ASN A 43 -9.433 20.600 -20.090 1.00 0.00 C ATOM 574 C ASN A 43 -8.611 21.365 -21.129 1.00 0.00 C ATOM 575 O ASN A 43 -7.559 20.888 -21.551 1.00 0.00 O ATOM 576 CB ASN A 43 -10.732 20.092 -20.727 1.00 0.00 C ATOM 577 CG ASN A 43 -11.461 19.102 -19.826 1.00 0.00 C ATOM 578 OD1 ASN A 43 -12.404 19.471 -19.128 1.00 0.00 O ATOM 579 ND2 ASN A 43 -11.023 17.840 -19.849 1.00 0.00 N ATOM 0 H ASN A 43 -9.959 22.424 -19.254 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.851 19.750 -19.733 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.386 20.938 -20.940 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.506 19.615 -21.681 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.475 17.133 -19.270 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.236 17.584 -20.446 1.00 0.00 H new ATOM 586 N ASN A 44 -9.097 22.542 -21.545 1.00 0.00 N ATOM 587 CA ASN A 44 -8.449 23.383 -22.538 1.00 0.00 C ATOM 588 C ASN A 44 -7.132 23.945 -21.996 1.00 0.00 C ATOM 589 O ASN A 44 -6.064 23.441 -22.338 1.00 0.00 O ATOM 590 CB ASN A 44 -9.417 24.490 -22.987 1.00 0.00 C ATOM 591 CG ASN A 44 -8.764 25.458 -23.974 1.00 0.00 C ATOM 592 OD1 ASN A 44 -8.127 25.034 -24.936 1.00 0.00 O ATOM 593 ND2 ASN A 44 -8.914 26.764 -23.733 1.00 0.00 N ATOM 0 H ASN A 44 -9.968 22.936 -21.189 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.196 22.785 -23.414 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.295 24.038 -23.449 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.765 25.043 -22.114 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.492 27.450 -24.359 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.451 27.075 -22.923 1.00 0.00 H new ATOM 600 N TYR A 45 -7.216 24.992 -21.161 1.00 0.00 N ATOM 601 CA TYR A 45 -6.074 25.668 -20.558 1.00 0.00 C ATOM 602 C TYR A 45 -5.248 26.417 -21.612 1.00 0.00 C ATOM 603 O TYR A 45 -5.581 26.406 -22.797 1.00 0.00 O ATOM 604 CB TYR A 45 -5.230 24.664 -19.751 1.00 0.00 C ATOM 605 CG TYR A 45 -4.692 25.186 -18.432 1.00 0.00 C ATOM 606 CD1 TYR A 45 -5.574 25.426 -17.362 1.00 0.00 C ATOM 607 CD2 TYR A 45 -3.316 25.421 -18.266 1.00 0.00 C ATOM 608 CE1 TYR A 45 -5.083 25.896 -16.132 1.00 0.00 C ATOM 609 CE2 TYR A 45 -2.823 25.892 -17.035 1.00 0.00 C ATOM 610 CZ TYR A 45 -3.706 26.120 -15.964 1.00 0.00 C ATOM 611 OH TYR A 45 -3.229 26.566 -14.765 1.00 0.00 O ATOM 0 H TYR A 45 -8.110 25.398 -20.883 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.439 26.424 -19.863 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.836 23.780 -19.553 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.390 24.343 -20.366 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.632 25.248 -17.487 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.636 25.240 -19.085 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.764 26.085 -15.316 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.766 26.078 -16.912 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.478 27.176 -14.918 1.00 0.00 H new ATOM 621 N GLU A 46 -4.169 27.080 -21.177 1.00 0.00 N ATOM 622 CA GLU A 46 -3.281 27.824 -22.058 1.00 0.00 C ATOM 623 C GLU A 46 -2.414 26.839 -22.846 1.00 0.00 C ATOM 624 O GLU A 46 -2.494 26.782 -24.071 1.00 0.00 O ATOM 625 CB GLU A 46 -2.437 28.799 -21.228 1.00 0.00 C ATOM 626 CG GLU A 46 -1.474 29.614 -22.100 1.00 0.00 C ATOM 627 CD GLU A 46 -0.694 30.620 -21.260 1.00 0.00 C ATOM 628 OE1 GLU A 46 0.331 30.201 -20.678 1.00 0.00 O ATOM 629 OE2 GLU A 46 -1.137 31.788 -21.207 1.00 0.00 O ATOM 0 H GLU A 46 -3.892 27.111 -20.196 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.855 28.412 -22.774 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.096 29.477 -20.685 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.868 28.242 -20.483 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.781 28.943 -22.607 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.034 30.138 -22.874 1.00 0.00 H new ATOM 636 N GLY A 47 -1.590 26.068 -22.129 1.00 0.00 N ATOM 637 CA GLY A 47 -0.704 25.073 -22.703 1.00 0.00 C ATOM 638 C GLY A 47 -0.035 24.295 -21.575 1.00 0.00 C ATOM 639 O GLY A 47 1.190 24.260 -21.481 1.00 0.00 O ATOM 0 H GLY A 47 -1.526 26.126 -21.113 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.265 24.395 -23.347 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.049 25.554 -23.327 1.00 0.00 H new ATOM 643 N PHE A 48 -0.860 23.678 -20.721 1.00 0.00 N ATOM 644 CA PHE A 48 -0.425 22.900 -19.574 1.00 0.00 C ATOM 645 C PHE A 48 -1.507 21.875 -19.251 1.00 0.00 C ATOM 646 O PHE A 48 -2.540 22.217 -18.678 1.00 0.00 O ATOM 647 CB PHE A 48 -0.117 23.822 -18.379 1.00 0.00 C ATOM 648 CG PHE A 48 1.357 23.896 -18.055 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.971 22.821 -17.391 1.00 0.00 C ATOM 650 CD2 PHE A 48 2.114 25.025 -18.423 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.345 22.873 -17.098 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.488 25.075 -18.129 1.00 0.00 C ATOM 653 CZ PHE A 48 4.104 23.993 -17.477 1.00 0.00 C ATOM 0 H PHE A 48 -1.875 23.712 -20.819 1.00 0.00 H new ATOM 0 HA PHE A 48 0.501 22.371 -19.801 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.486 24.824 -18.596 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.659 23.465 -17.503 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.389 21.957 -17.106 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.640 25.852 -18.931 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.818 22.051 -16.581 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.069 25.943 -18.404 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.163 24.023 -17.267 1.00 0.00 H new ATOM 663 N ASP A 49 -1.253 20.620 -19.640 1.00 0.00 N ATOM 664 CA ASP A 49 -2.133 19.479 -19.429 1.00 0.00 C ATOM 665 C ASP A 49 -1.285 18.250 -19.088 1.00 0.00 C ATOM 666 O ASP A 49 -0.055 18.325 -19.091 1.00 0.00 O ATOM 667 CB ASP A 49 -2.986 19.248 -20.687 1.00 0.00 C ATOM 668 CG ASP A 49 -3.873 20.448 -21.013 1.00 0.00 C ATOM 669 OD1 ASP A 49 -4.931 20.567 -20.360 1.00 0.00 O ATOM 670 OD2 ASP A 49 -3.477 21.231 -21.904 1.00 0.00 O ATOM 0 H ASP A 49 -0.394 20.368 -20.129 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.811 19.669 -18.597 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.332 19.041 -21.534 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.610 18.366 -20.544 1.00 0.00 H new ATOM 675 N PHE A 50 -1.947 17.124 -18.790 1.00 0.00 N ATOM 676 CA PHE A 50 -1.307 15.865 -18.422 1.00 0.00 C ATOM 677 C PHE A 50 -1.858 14.747 -19.309 1.00 0.00 C ATOM 678 O PHE A 50 -3.064 14.723 -19.555 1.00 0.00 O ATOM 679 CB PHE A 50 -1.580 15.549 -16.945 1.00 0.00 C ATOM 680 CG PHE A 50 -1.550 16.773 -16.054 1.00 0.00 C ATOM 681 CD1 PHE A 50 -0.354 17.208 -15.455 1.00 0.00 C ATOM 682 CD2 PHE A 50 -2.742 17.485 -15.838 1.00 0.00 C ATOM 683 CE1 PHE A 50 -0.354 18.358 -14.644 1.00 0.00 C ATOM 684 CE2 PHE A 50 -2.740 18.630 -15.032 1.00 0.00 C ATOM 685 CZ PHE A 50 -1.547 19.072 -14.436 1.00 0.00 C ATOM 0 H PHE A 50 -2.965 17.067 -18.800 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.230 15.947 -18.566 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.555 15.069 -16.858 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.839 14.833 -16.591 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.563 16.660 -15.617 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.661 17.149 -16.294 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.563 18.692 -14.181 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.658 19.175 -14.868 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.546 19.959 -13.819 1.00 0.00 H new ATOM 695 N PRO A 51 -1.012 13.827 -19.804 1.00 0.00 N ATOM 696 CA PRO A 51 -1.430 12.713 -20.639 1.00 0.00 C ATOM 697 C PRO A 51 -2.015 11.595 -19.769 1.00 0.00 C ATOM 698 O PRO A 51 -1.441 10.511 -19.673 1.00 0.00 O ATOM 699 CB PRO A 51 -0.151 12.284 -21.367 1.00 0.00 C ATOM 700 CG PRO A 51 0.929 12.541 -20.315 1.00 0.00 C ATOM 701 CD PRO A 51 0.429 13.803 -19.611 1.00 0.00 C ATOM 0 HA PRO A 51 -2.217 12.971 -21.348 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.186 11.236 -21.666 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.016 12.868 -22.272 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.026 11.704 -19.623 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.908 12.693 -20.770 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.680 13.783 -18.550 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.894 14.695 -20.032 1.00 0.00 H new ATOM 709 N VAL A 52 -3.160 11.873 -19.130 1.00 0.00 N ATOM 710 CA VAL A 52 -3.870 10.939 -18.271 1.00 0.00 C ATOM 711 C VAL A 52 -5.268 10.735 -18.862 1.00 0.00 C ATOM 712 O VAL A 52 -5.420 9.904 -19.756 1.00 0.00 O ATOM 713 CB VAL A 52 -3.850 11.420 -16.804 1.00 0.00 C ATOM 714 CG1 VAL A 52 -4.491 10.359 -15.899 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.415 11.659 -16.311 1.00 0.00 C ATOM 0 H VAL A 52 -3.623 12.779 -19.204 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.382 9.965 -18.240 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.407 12.356 -16.760 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.474 10.704 -14.865 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.523 10.192 -16.209 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.932 9.427 -15.979 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.438 11.997 -15.275 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.848 10.730 -16.378 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.940 12.420 -16.930 1.00 0.00 H new ATOM 725 N ASP A 53 -6.274 11.484 -18.385 1.00 0.00 N ATOM 726 CA ASP A 53 -7.656 11.386 -18.841 1.00 0.00 C ATOM 727 C ASP A 53 -8.366 12.726 -18.628 1.00 0.00 C ATOM 728 O ASP A 53 -8.663 13.427 -19.594 1.00 0.00 O ATOM 729 CB ASP A 53 -8.399 10.261 -18.098 1.00 0.00 C ATOM 730 CG ASP A 53 -7.868 8.869 -18.434 1.00 0.00 C ATOM 731 OD1 ASP A 53 -8.194 8.388 -19.541 1.00 0.00 O ATOM 732 OD2 ASP A 53 -7.141 8.312 -17.583 1.00 0.00 O ATOM 0 H ASP A 53 -6.140 12.186 -17.658 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.657 11.145 -19.904 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.315 10.426 -17.024 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.459 10.309 -18.346 1.00 0.00 H new ATOM 737 N GLY A 54 -8.638 13.075 -17.364 1.00 0.00 N ATOM 738 CA GLY A 54 -9.326 14.299 -16.987 1.00 0.00 C ATOM 739 C GLY A 54 -10.845 14.159 -17.161 1.00 0.00 C ATOM 740 O GLY A 54 -11.322 13.070 -17.483 1.00 0.00 O ATOM 0 H GLY A 54 -8.377 12.497 -16.565 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.097 14.543 -15.950 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.962 15.126 -17.597 1.00 0.00 H new ATOM 744 N PRO A 55 -11.628 15.233 -16.946 1.00 0.00 N ATOM 745 CA PRO A 55 -11.204 16.571 -16.547 1.00 0.00 C ATOM 746 C PRO A 55 -10.411 16.554 -15.245 1.00 0.00 C ATOM 747 O PRO A 55 -10.874 16.024 -14.236 1.00 0.00 O ATOM 748 CB PRO A 55 -12.486 17.392 -16.405 1.00 0.00 C ATOM 749 CG PRO A 55 -13.474 16.662 -17.312 1.00 0.00 C ATOM 750 CD PRO A 55 -13.072 15.204 -17.107 1.00 0.00 C ATOM 0 HA PRO A 55 -10.533 17.002 -17.290 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.833 17.420 -15.372 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.339 18.425 -16.720 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.508 16.845 -17.020 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.377 16.970 -18.353 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.559 14.780 -16.229 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.362 14.591 -17.960 1.00 0.00 H new ATOM 758 N TYR A 56 -9.218 17.152 -15.276 1.00 0.00 N ATOM 759 CA TYR A 56 -8.321 17.186 -14.133 1.00 0.00 C ATOM 760 C TYR A 56 -8.726 18.276 -13.155 1.00 0.00 C ATOM 761 O TYR A 56 -8.943 19.428 -13.531 1.00 0.00 O ATOM 762 CB TYR A 56 -6.854 17.368 -14.574 1.00 0.00 C ATOM 763 CG TYR A 56 -6.529 17.012 -16.015 1.00 0.00 C ATOM 764 CD1 TYR A 56 -6.216 15.688 -16.377 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.531 18.025 -16.994 1.00 0.00 C ATOM 766 CE1 TYR A 56 -5.907 15.381 -17.715 1.00 0.00 C ATOM 767 CE2 TYR A 56 -6.223 17.715 -18.329 1.00 0.00 C ATOM 768 CZ TYR A 56 -5.917 16.394 -18.691 1.00 0.00 C ATOM 769 OH TYR A 56 -5.628 16.098 -19.991 1.00 0.00 O ATOM 0 H TYR A 56 -8.851 17.626 -16.101 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.401 16.225 -13.625 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.575 18.409 -14.409 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.224 16.762 -13.923 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.213 14.909 -15.629 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.770 19.041 -16.718 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.662 14.367 -17.993 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.222 18.494 -19.077 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.773 15.621 -20.036 1.00 0.00 H new ATOM 779 N GLN A 57 -8.805 17.858 -11.894 1.00 0.00 N ATOM 780 CA GLN A 57 -9.151 18.629 -10.727 1.00 0.00 C ATOM 781 C GLN A 57 -8.001 19.535 -10.303 1.00 0.00 C ATOM 782 O GLN A 57 -6.849 19.112 -10.320 1.00 0.00 O ATOM 783 CB GLN A 57 -9.386 17.628 -9.603 1.00 0.00 C ATOM 784 CG GLN A 57 -9.713 18.333 -8.288 1.00 0.00 C ATOM 785 CD GLN A 57 -9.770 17.352 -7.135 1.00 0.00 C ATOM 786 OE1 GLN A 57 -9.807 16.141 -7.332 1.00 0.00 O ATOM 787 NE2 GLN A 57 -9.770 17.891 -5.920 1.00 0.00 N ATOM 0 H GLN A 57 -8.610 16.886 -11.654 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.022 19.249 -10.941 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.205 16.961 -9.873 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.499 17.008 -9.474 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.959 19.094 -8.084 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.670 18.848 -8.377 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.738 18.905 -5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.802 17.291 -5.096 1.00 0.00 H new ATOM 796 N GLU A 58 -8.336 20.769 -9.911 1.00 0.00 N ATOM 797 CA GLU A 58 -7.394 21.768 -9.441 1.00 0.00 C ATOM 798 C GLU A 58 -7.400 21.765 -7.913 1.00 0.00 C ATOM 799 O GLU A 58 -8.437 21.508 -7.307 1.00 0.00 O ATOM 800 CB GLU A 58 -7.837 23.152 -9.931 1.00 0.00 C ATOM 801 CG GLU A 58 -7.947 23.209 -11.458 1.00 0.00 C ATOM 802 CD GLU A 58 -8.110 24.644 -11.951 1.00 0.00 C ATOM 803 OE1 GLU A 58 -7.098 25.378 -11.913 1.00 0.00 O ATOM 804 OE2 GLU A 58 -9.239 24.980 -12.368 1.00 0.00 O ATOM 0 H GLU A 58 -9.300 21.101 -9.915 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.397 21.543 -9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.801 23.403 -9.488 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.124 23.903 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.056 22.768 -11.905 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.798 22.611 -11.786 1.00 0.00 H new ATOM 811 N PHE A 59 -6.252 22.034 -7.282 1.00 0.00 N ATOM 812 CA PHE A 59 -6.153 22.088 -5.829 1.00 0.00 C ATOM 813 C PHE A 59 -4.897 22.882 -5.469 1.00 0.00 C ATOM 814 O PHE A 59 -3.788 22.397 -5.674 1.00 0.00 O ATOM 815 CB PHE A 59 -6.166 20.680 -5.231 1.00 0.00 C ATOM 816 CG PHE A 59 -6.675 20.659 -3.808 1.00 0.00 C ATOM 817 CD1 PHE A 59 -8.037 20.914 -3.561 1.00 0.00 C ATOM 818 CD2 PHE A 59 -5.804 20.393 -2.737 1.00 0.00 C ATOM 819 CE1 PHE A 59 -8.534 20.888 -2.250 1.00 0.00 C ATOM 820 CE2 PHE A 59 -6.305 20.359 -1.425 1.00 0.00 C ATOM 821 CZ PHE A 59 -7.670 20.598 -1.182 1.00 0.00 C ATOM 0 H PHE A 59 -5.373 22.219 -7.765 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.017 22.596 -5.399 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.791 20.033 -5.846 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.157 20.268 -5.259 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.702 21.130 -4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.755 20.216 -2.922 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.578 21.090 -2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.640 20.149 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.054 20.558 -0.173 1.00 0.00 H new ATOM 831 N PRO A 60 -5.024 24.092 -4.916 1.00 0.00 N ATOM 832 CA PRO A 60 -3.879 24.922 -4.618 1.00 0.00 C ATOM 833 C PRO A 60 -3.167 24.567 -3.311 1.00 0.00 C ATOM 834 O PRO A 60 -3.818 24.398 -2.279 1.00 0.00 O ATOM 835 CB PRO A 60 -4.479 26.319 -4.633 1.00 0.00 C ATOM 836 CG PRO A 60 -5.835 26.117 -3.959 1.00 0.00 C ATOM 837 CD PRO A 60 -6.253 24.754 -4.511 1.00 0.00 C ATOM 0 HA PRO A 60 -3.068 24.796 -5.335 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.859 27.031 -4.088 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.586 26.702 -5.648 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.755 26.112 -2.872 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.545 26.901 -4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.779 24.171 -3.755 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.932 24.867 -5.356 1.00 0.00 H new ATOM 845 N ILE A 61 -1.829 24.446 -3.360 1.00 0.00 N ATOM 846 CA ILE A 61 -1.004 24.137 -2.204 1.00 0.00 C ATOM 847 C ILE A 61 -0.367 25.385 -1.650 1.00 0.00 C ATOM 848 O ILE A 61 -0.507 26.507 -2.133 1.00 0.00 O ATOM 849 CB ILE A 61 0.018 23.028 -2.485 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.774 22.295 -1.351 1.00 0.00 C ATOM 851 CG2 ILE A 61 0.899 23.321 -3.694 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.071 20.832 -1.696 1.00 0.00 C ATOM 0 H ILE A 61 -1.294 24.564 -4.220 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.662 23.736 -1.433 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.699 22.237 -2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.710 22.815 -1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.181 22.337 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.601 22.500 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.275 23.428 -4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.452 24.245 -3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.602 20.363 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.135 20.302 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.688 20.788 -2.594 1.00 0.00 H new ATOM 864 N LYS A 62 0.334 25.072 -0.584 1.00 0.00 N ATOM 865 CA LYS A 62 1.085 26.001 0.249 1.00 0.00 C ATOM 866 C LYS A 62 2.134 25.259 1.076 1.00 0.00 C ATOM 867 O LYS A 62 1.978 24.074 1.371 1.00 0.00 O ATOM 868 CB LYS A 62 0.113 26.824 1.121 1.00 0.00 C ATOM 869 CG LYS A 62 0.260 28.342 0.915 1.00 0.00 C ATOM 870 CD LYS A 62 1.366 28.944 1.787 1.00 0.00 C ATOM 871 CE LYS A 62 1.377 30.470 1.665 1.00 0.00 C ATOM 872 NZ LYS A 62 2.376 31.069 2.566 1.00 0.00 N ATOM 0 H LYS A 62 0.403 24.110 -0.251 1.00 0.00 H new ATOM 0 HA LYS A 62 1.629 26.701 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.911 26.529 0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.285 26.587 2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.477 28.544 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.687 28.831 1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.213 28.658 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.333 28.543 1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.596 30.754 0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.388 30.863 1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.361 32.104 2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.152 30.817 3.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.322 30.710 2.323 1.00 0.00 H new ATOM 886 N SER A 63 3.210 25.973 1.442 1.00 0.00 N ATOM 887 CA SER A 63 4.322 25.479 2.238 1.00 0.00 C ATOM 888 C SER A 63 3.944 25.500 3.723 1.00 0.00 C ATOM 889 O SER A 63 4.618 26.122 4.541 1.00 0.00 O ATOM 890 CB SER A 63 5.568 26.324 1.930 1.00 0.00 C ATOM 891 OG SER A 63 5.318 27.693 2.174 1.00 0.00 O ATOM 0 H SER A 63 3.324 26.951 1.175 1.00 0.00 H new ATOM 0 HA SER A 63 4.552 24.444 1.985 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.403 25.987 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.861 26.183 0.890 1.00 0.00 H new ATOM 0 HG SER A 63 5.041 27.814 3.106 1.00 0.00 H new ATOM 897 N GLY A 64 2.843 24.818 4.059 1.00 0.00 N ATOM 898 CA GLY A 64 2.321 24.725 5.408 1.00 0.00 C ATOM 899 C GLY A 64 1.197 23.695 5.461 1.00 0.00 C ATOM 900 O GLY A 64 1.318 22.692 6.162 1.00 0.00 O ATOM 0 H GLY A 64 2.284 24.306 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.117 24.443 6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.950 25.698 5.731 1.00 0.00 H new ATOM 904 N GLY A 65 0.109 23.937 4.715 1.00 0.00 N ATOM 905 CA GLY A 65 -1.036 23.041 4.691 1.00 0.00 C ATOM 906 C GLY A 65 -1.982 23.324 3.525 1.00 0.00 C ATOM 907 O GLY A 65 -1.686 24.136 2.647 1.00 0.00 O ATOM 0 H GLY A 65 0.007 24.757 4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.685 22.011 4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.584 23.133 5.629 1.00 0.00 H new ATOM 911 N VAL A 66 -3.129 22.633 3.542 1.00 0.00 N ATOM 912 CA VAL A 66 -4.181 22.712 2.537 1.00 0.00 C ATOM 913 C VAL A 66 -4.972 24.021 2.658 1.00 0.00 C ATOM 914 O VAL A 66 -5.211 24.501 3.764 1.00 0.00 O ATOM 915 CB VAL A 66 -5.079 21.467 2.667 1.00 0.00 C ATOM 916 CG1 VAL A 66 -6.374 21.582 1.855 1.00 0.00 C ATOM 917 CG2 VAL A 66 -4.318 20.228 2.181 1.00 0.00 C ATOM 0 H VAL A 66 -3.352 21.978 4.291 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.741 22.723 1.540 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.344 21.382 3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.966 20.676 1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.946 22.443 2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.132 21.709 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.956 19.349 2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.035 20.361 1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.421 20.091 2.786 1.00 0.00 H new ATOM 927 N TYR A 67 -5.369 24.560 1.492 1.00 0.00 N ATOM 928 CA TYR A 67 -6.119 25.791 1.247 1.00 0.00 C ATOM 929 C TYR A 67 -6.011 26.881 2.321 1.00 0.00 C ATOM 930 O TYR A 67 -7.023 27.348 2.843 1.00 0.00 O ATOM 931 CB TYR A 67 -7.553 25.498 0.763 1.00 0.00 C ATOM 932 CG TYR A 67 -8.479 24.610 1.591 1.00 0.00 C ATOM 933 CD1 TYR A 67 -8.403 24.537 2.997 1.00 0.00 C ATOM 934 CD2 TYR A 67 -9.453 23.845 0.918 1.00 0.00 C ATOM 935 CE1 TYR A 67 -9.284 23.710 3.715 1.00 0.00 C ATOM 936 CE2 TYR A 67 -10.336 23.019 1.636 1.00 0.00 C ATOM 937 CZ TYR A 67 -10.251 22.949 3.036 1.00 0.00 C ATOM 938 OH TYR A 67 -11.102 22.142 3.736 1.00 0.00 O ATOM 0 H TYR A 67 -5.147 24.092 0.613 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.600 26.272 0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.054 26.458 0.637 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.474 25.048 -0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.663 25.120 3.526 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.522 23.894 -0.159 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.218 23.659 4.792 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -11.080 22.438 1.111 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.708 21.688 3.114 1.00 0.00 H new ATOM 948 N THR A 68 -4.778 27.298 2.638 1.00 0.00 N ATOM 949 CA THR A 68 -4.511 28.336 3.623 1.00 0.00 C ATOM 950 C THR A 68 -4.751 29.693 2.953 1.00 0.00 C ATOM 951 O THR A 68 -3.826 30.317 2.437 1.00 0.00 O ATOM 952 CB THR A 68 -3.083 28.191 4.176 1.00 0.00 C ATOM 953 OG1 THR A 68 -2.147 28.128 3.124 1.00 0.00 O ATOM 954 CG2 THR A 68 -2.937 26.930 5.033 1.00 0.00 C ATOM 0 H THR A 68 -3.935 26.916 2.210 1.00 0.00 H new ATOM 0 HA THR A 68 -5.179 28.247 4.480 1.00 0.00 H new ATOM 0 HB THR A 68 -2.892 29.068 4.795 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.348 28.826 2.466 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.915 26.860 5.407 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.628 26.980 5.874 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.163 26.051 4.429 1.00 0.00 H new ATOM 962 N GLY A 69 -6.017 30.130 2.962 1.00 0.00 N ATOM 963 CA GLY A 69 -6.464 31.378 2.364 1.00 0.00 C ATOM 964 C GLY A 69 -6.964 31.135 0.938 1.00 0.00 C ATOM 965 O GLY A 69 -6.850 30.029 0.410 1.00 0.00 O ATOM 0 H GLY A 69 -6.774 29.604 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.261 31.813 2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.645 32.097 2.352 1.00 0.00 H new ATOM 969 N GLY A 70 -7.528 32.182 0.321 1.00 0.00 N ATOM 970 CA GLY A 70 -8.054 32.131 -1.035 1.00 0.00 C ATOM 971 C GLY A 70 -6.920 31.929 -2.037 1.00 0.00 C ATOM 972 O GLY A 70 -6.815 30.867 -2.650 1.00 0.00 O ATOM 0 H GLY A 70 -7.629 33.096 0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.774 31.318 -1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.587 33.055 -1.260 1.00 0.00 H new ATOM 976 N SER A 71 -6.076 32.955 -2.192 1.00 0.00 N ATOM 977 CA SER A 71 -4.934 32.925 -3.093 1.00 0.00 C ATOM 978 C SER A 71 -3.787 32.172 -2.408 1.00 0.00 C ATOM 979 O SER A 71 -3.444 32.518 -1.277 1.00 0.00 O ATOM 980 CB SER A 71 -4.509 34.358 -3.431 1.00 0.00 C ATOM 981 OG SER A 71 -5.572 35.044 -4.059 1.00 0.00 O ATOM 0 H SER A 71 -6.173 33.836 -1.687 1.00 0.00 H new ATOM 0 HA SER A 71 -5.198 32.415 -4.020 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.214 34.882 -2.522 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.638 34.342 -4.087 1.00 0.00 H new ATOM 0 HG SER A 71 -5.292 35.959 -4.270 1.00 0.00 H new ATOM 987 N PRO A 72 -3.188 31.151 -3.049 1.00 0.00 N ATOM 988 CA PRO A 72 -2.067 30.407 -2.492 1.00 0.00 C ATOM 989 C PRO A 72 -0.816 31.290 -2.457 1.00 0.00 C ATOM 990 O PRO A 72 -0.557 31.957 -1.456 1.00 0.00 O ATOM 991 CB PRO A 72 -1.919 29.170 -3.388 1.00 0.00 C ATOM 992 CG PRO A 72 -2.495 29.610 -4.737 1.00 0.00 C ATOM 993 CD PRO A 72 -3.561 30.634 -4.356 1.00 0.00 C ATOM 0 HA PRO A 72 -2.224 30.099 -1.458 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.876 28.868 -3.480 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.463 28.317 -2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.729 30.048 -5.376 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.923 28.770 -5.283 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.608 31.437 -5.092 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.548 30.173 -4.324 1.00 0.00 H new ATOM 1001 N GLY A 73 -0.037 31.287 -3.542 1.00 0.00 N ATOM 1002 CA GLY A 73 1.168 32.062 -3.710 1.00 0.00 C ATOM 1003 C GLY A 73 1.584 31.882 -5.163 1.00 0.00 C ATOM 1004 O GLY A 73 1.810 32.865 -5.868 1.00 0.00 O ATOM 0 H GLY A 73 -0.250 30.713 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.991 33.113 -3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.951 31.717 -3.035 1.00 0.00 H new ATOM 1008 N ALA A 74 1.665 30.615 -5.600 1.00 0.00 N ATOM 1009 CA ALA A 74 2.062 30.253 -6.947 1.00 0.00 C ATOM 1010 C ALA A 74 1.824 28.770 -7.236 1.00 0.00 C ATOM 1011 O ALA A 74 1.205 28.451 -8.250 1.00 0.00 O ATOM 1012 CB ALA A 74 3.545 30.584 -7.091 1.00 0.00 C ATOM 0 H ALA A 74 1.451 29.811 -5.010 1.00 0.00 H new ATOM 0 HA ALA A 74 1.460 30.812 -7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.880 30.324 -8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.698 31.650 -6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.118 30.015 -6.359 1.00 0.00 H new ATOM 1018 N ASP A 75 2.298 27.873 -6.354 1.00 0.00 N ATOM 1019 CA ASP A 75 2.183 26.429 -6.522 1.00 0.00 C ATOM 1020 C ASP A 75 0.784 25.859 -6.286 1.00 0.00 C ATOM 1021 O ASP A 75 0.136 26.119 -5.270 1.00 0.00 O ATOM 1022 CB ASP A 75 3.227 25.702 -5.665 1.00 0.00 C ATOM 1023 CG ASP A 75 3.318 24.205 -5.979 1.00 0.00 C ATOM 1024 OD1 ASP A 75 3.036 23.826 -7.136 1.00 0.00 O ATOM 1025 OD2 ASP A 75 3.679 23.452 -5.050 1.00 0.00 O ATOM 0 H ASP A 75 2.777 28.143 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 75 2.381 26.246 -7.578 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.203 26.161 -5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.980 25.833 -4.611 1.00 0.00 H new ATOM 1030 N ARG A 76 0.342 25.052 -7.260 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.936 24.377 -7.262 1.00 0.00 C ATOM 1032 C ARG A 76 -0.783 22.949 -7.775 1.00 0.00 C ATOM 1033 O ARG A 76 -0.302 22.748 -8.891 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.938 25.108 -8.168 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.261 26.543 -7.736 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.519 27.013 -8.474 1.00 0.00 C ATOM 1037 NE ARG A 76 -4.022 28.283 -7.931 1.00 0.00 N ATOM 1038 CZ ARG A 76 -4.312 29.406 -8.612 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.104 29.516 -9.933 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.835 30.445 -7.946 1.00 0.00 N ATOM 0 H ARG A 76 0.895 24.853 -8.093 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.304 24.370 -6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.542 25.129 -9.183 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.865 24.535 -8.199 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.418 26.586 -6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.423 27.202 -7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.296 27.133 -9.534 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.294 26.251 -8.395 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.168 28.316 -6.922 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.713 28.731 -10.455 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.337 30.384 -10.415 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.005 30.374 -6.943 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.063 31.307 -8.442 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.179 21.963 -6.956 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.143 20.564 -7.355 1.00 0.00 C ATOM 1056 C VAL A 77 -2.439 20.342 -8.132 1.00 0.00 C ATOM 1057 O VAL A 77 -3.454 20.974 -7.853 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.976 19.582 -6.185 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.378 19.784 -5.497 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.090 19.658 -5.136 1.00 0.00 C ATOM 0 H VAL A 77 -1.528 22.119 -6.010 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.261 20.360 -7.963 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.034 18.591 -6.635 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.476 19.079 -4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.180 19.615 -6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.443 20.802 -5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.896 18.933 -4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.120 20.661 -4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.048 19.435 -5.606 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.419 19.442 -9.113 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.586 19.194 -9.945 1.00 0.00 C ATOM 1072 C VAL A 78 -3.712 17.673 -10.115 1.00 0.00 C ATOM 1073 O VAL A 78 -2.844 17.031 -10.710 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.394 20.028 -11.230 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.502 19.842 -12.266 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.308 21.538 -10.895 1.00 0.00 C ATOM 0 H VAL A 78 -1.605 18.874 -9.348 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.541 19.510 -9.526 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.464 19.661 -11.664 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.293 20.462 -13.138 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.547 18.795 -12.567 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.458 20.136 -11.833 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.173 22.108 -11.814 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.228 21.855 -10.404 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.462 21.716 -10.230 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.803 17.105 -9.572 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.092 15.673 -9.597 1.00 0.00 C ATOM 1088 C ILE A 79 -6.129 15.319 -10.668 1.00 0.00 C ATOM 1089 O ILE A 79 -6.626 16.204 -11.357 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.440 15.158 -8.179 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -6.887 15.390 -7.718 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.526 15.782 -7.117 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.237 14.452 -6.554 1.00 0.00 C ATOM 0 H ILE A 79 -5.522 17.648 -9.094 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.190 15.139 -9.897 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.294 14.082 -8.272 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.014 16.427 -7.408 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.572 15.219 -8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.797 15.399 -6.133 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.489 15.525 -7.333 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.641 16.866 -7.129 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.266 14.630 -6.240 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.130 13.416 -6.877 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.564 14.643 -5.718 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.444 14.025 -10.816 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.417 13.499 -11.766 1.00 0.00 C ATOM 1107 C ASN A 80 -8.780 13.459 -11.074 1.00 0.00 C ATOM 1108 O ASN A 80 -8.877 13.674 -9.867 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.971 12.123 -12.282 1.00 0.00 C ATOM 1110 CG ASN A 80 -7.628 11.687 -13.594 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -8.394 12.428 -14.208 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -7.313 10.468 -14.035 1.00 0.00 N ATOM 0 H ASN A 80 -6.009 13.294 -10.254 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.493 14.141 -12.644 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.890 12.135 -12.420 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.187 11.376 -11.518 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.711 10.123 -14.908 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.674 9.881 -13.499 1.00 0.00 H new ATOM 1119 N THR A 81 -9.843 13.165 -11.823 1.00 0.00 N ATOM 1120 CA THR A 81 -11.187 13.150 -11.316 1.00 0.00 C ATOM 1121 C THR A 81 -11.528 12.228 -10.168 1.00 0.00 C ATOM 1122 O THR A 81 -12.366 12.590 -9.341 1.00 0.00 O ATOM 1123 CB THR A 81 -12.150 12.993 -12.500 1.00 0.00 C ATOM 1124 OG1 THR A 81 -11.580 13.395 -13.731 1.00 0.00 O ATOM 1125 CG2 THR A 81 -13.473 13.722 -12.316 1.00 0.00 C ATOM 0 H THR A 81 -9.778 12.929 -12.813 1.00 0.00 H new ATOM 0 HA THR A 81 -11.300 14.112 -10.816 1.00 0.00 H new ATOM 0 HB THR A 81 -12.349 11.922 -12.528 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.405 14.359 -13.711 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.100 13.564 -13.193 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.981 13.336 -11.432 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.286 14.789 -12.190 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.899 11.061 -10.087 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.225 10.161 -9.011 1.00 0.00 C ATOM 1135 C ASN A 82 -10.354 10.497 -7.807 1.00 0.00 C ATOM 1136 O ASN A 82 -10.848 10.942 -6.772 1.00 0.00 O ATOM 1137 CB ASN A 82 -11.019 8.710 -9.466 1.00 0.00 C ATOM 1138 CG ASN A 82 -12.026 8.305 -10.541 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -13.094 7.780 -10.226 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -11.687 8.539 -11.811 1.00 0.00 N ATOM 0 H ASN A 82 -10.184 10.732 -10.736 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.271 10.273 -8.727 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.007 8.590 -9.852 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -11.114 8.043 -8.609 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.324 8.280 -12.565 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.791 8.977 -12.027 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.053 10.275 -7.991 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.039 10.438 -6.946 1.00 0.00 C ATOM 1149 C CYS A 83 -6.571 10.501 -7.402 1.00 0.00 C ATOM 1150 O CYS A 83 -5.704 10.786 -6.577 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.200 9.281 -5.937 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.969 9.662 -4.176 1.00 0.00 S ATOM 0 H CYS A 83 -8.666 9.972 -8.885 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.229 11.423 -6.519 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.199 8.863 -6.062 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.491 8.499 -6.207 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.270 10.254 -8.686 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.895 10.172 -9.182 1.00 0.00 C ATOM 1159 C GLU A 84 -4.132 11.471 -9.444 1.00 0.00 C ATOM 1160 O GLU A 84 -4.428 12.174 -10.402 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.896 9.358 -10.487 1.00 0.00 C ATOM 1162 CG GLU A 84 -5.523 7.965 -10.369 1.00 0.00 C ATOM 1163 CD GLU A 84 -5.620 7.314 -11.745 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -4.617 6.695 -12.160 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -6.697 7.457 -12.366 1.00 0.00 O ATOM 0 H GLU A 84 -6.976 10.106 -9.407 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.358 9.713 -8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.434 9.921 -11.250 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.868 9.251 -10.834 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.922 7.343 -9.706 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.515 8.041 -9.924 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.135 11.779 -8.598 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.284 12.960 -8.734 1.00 0.00 C ATOM 1174 C TYR A 85 -1.639 12.921 -10.126 1.00 0.00 C ATOM 1175 O TYR A 85 -0.894 11.988 -10.426 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.238 12.978 -7.604 1.00 0.00 C ATOM 1177 CG TYR A 85 -0.096 13.967 -7.790 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -0.357 15.279 -8.232 1.00 0.00 C ATOM 1179 CD2 TYR A 85 1.232 13.575 -7.525 1.00 0.00 C ATOM 1180 CE1 TYR A 85 0.699 16.187 -8.410 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.288 14.481 -7.721 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.024 15.785 -8.168 1.00 0.00 C ATOM 1183 OH TYR A 85 3.056 16.658 -8.352 1.00 0.00 O ATOM 0 H TYR A 85 -2.899 11.202 -7.790 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.863 13.879 -8.644 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.745 13.206 -6.666 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.818 11.977 -7.505 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.372 15.587 -8.434 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.438 12.576 -7.170 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.493 17.197 -8.734 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.305 14.173 -7.527 1.00 0.00 H new ATOM 0 HH TYR A 85 3.903 16.214 -8.137 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.915 13.930 -10.969 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.403 13.996 -12.329 1.00 0.00 C ATOM 1195 C ALA A 86 -0.046 14.693 -12.360 1.00 0.00 C ATOM 1196 O ALA A 86 0.943 14.099 -12.783 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.427 14.692 -13.230 1.00 0.00 C ATOM 0 H ALA A 86 -2.504 14.723 -10.715 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.250 12.986 -12.709 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.042 14.741 -14.249 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.361 14.130 -13.222 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.608 15.702 -12.862 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.002 15.948 -11.906 1.00 0.00 N ATOM 1204 CA GLY A 87 1.218 16.736 -11.878 1.00 0.00 C ATOM 1205 C GLY A 87 0.950 18.096 -11.246 1.00 0.00 C ATOM 1206 O GLY A 87 -0.203 18.501 -11.093 1.00 0.00 O ATOM 0 H GLY A 87 -0.819 16.442 -11.547 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.987 16.209 -11.313 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.599 16.866 -12.891 1.00 0.00 H new ATOM 1210 N ALA A 88 2.031 18.790 -10.871 1.00 0.00 N ATOM 1211 CA ALA A 88 1.981 20.100 -10.243 1.00 0.00 C ATOM 1212 C ALA A 88 2.550 21.163 -11.180 1.00 0.00 C ATOM 1213 O ALA A 88 3.377 20.875 -12.046 1.00 0.00 O ATOM 1214 CB ALA A 88 2.730 20.066 -8.909 1.00 0.00 C ATOM 0 H ALA A 88 2.981 18.443 -11.002 1.00 0.00 H new ATOM 0 HA ALA A 88 0.943 20.363 -10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.689 21.051 -8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.265 19.333 -8.249 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.770 19.790 -9.083 1.00 0.00 H new ATOM 1220 N ILE A 89 2.071 22.395 -10.987 1.00 0.00 N ATOM 1221 CA ILE A 89 2.456 23.584 -11.734 1.00 0.00 C ATOM 1222 C ILE A 89 2.584 24.742 -10.741 1.00 0.00 C ATOM 1223 O ILE A 89 1.957 24.703 -9.685 1.00 0.00 O ATOM 1224 CB ILE A 89 1.428 23.867 -12.847 1.00 0.00 C ATOM 1225 CG1 ILE A 89 -0.002 23.994 -12.284 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.486 22.780 -13.928 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -1.012 24.464 -13.333 1.00 0.00 C ATOM 0 H ILE A 89 1.372 22.594 -10.271 1.00 0.00 H new ATOM 0 HA ILE A 89 3.416 23.444 -12.232 1.00 0.00 H new ATOM 0 HB ILE A 89 1.691 24.823 -13.299 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.319 23.029 -11.888 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.002 24.695 -11.450 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.752 22.999 -14.704 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.483 22.757 -14.368 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.264 21.811 -13.482 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.001 24.535 -12.880 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.715 25.442 -13.711 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.041 23.750 -14.156 1.00 0.00 H new ATOM 1239 N THR A 90 3.378 25.773 -11.066 1.00 0.00 N ATOM 1240 CA THR A 90 3.584 26.909 -10.173 1.00 0.00 C ATOM 1241 C THR A 90 3.950 28.220 -10.871 1.00 0.00 C ATOM 1242 O THR A 90 4.502 28.204 -11.968 1.00 0.00 O ATOM 1243 CB THR A 90 4.717 26.549 -9.195 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.856 27.556 -8.214 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.059 26.362 -9.922 1.00 0.00 C ATOM 0 H THR A 90 3.888 25.838 -11.947 1.00 0.00 H new ATOM 0 HA THR A 90 2.629 27.087 -9.678 1.00 0.00 H new ATOM 0 HB THR A 90 4.448 25.605 -8.722 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.462 27.245 -7.510 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.833 26.109 -9.198 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.968 25.558 -10.652 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.328 27.287 -10.432 1.00 0.00 H new ATOM 1253 N HIS A 91 3.615 29.353 -10.229 1.00 0.00 N ATOM 1254 CA HIS A 91 3.969 30.691 -10.716 1.00 0.00 C ATOM 1255 C HIS A 91 5.425 31.053 -10.394 1.00 0.00 C ATOM 1256 O HIS A 91 5.986 31.907 -11.077 1.00 0.00 O ATOM 1257 CB HIS A 91 3.083 31.862 -10.233 1.00 0.00 C ATOM 1258 CG HIS A 91 1.633 31.804 -10.603 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.819 32.927 -10.642 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.828 30.762 -10.959 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.409 32.512 -10.998 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.471 31.197 -11.201 1.00 0.00 N ATOM 0 H HIS A 91 3.089 29.363 -9.355 1.00 0.00 H new ATOM 0 HA HIS A 91 3.800 30.589 -11.788 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.155 31.918 -9.147 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.498 32.789 -10.628 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.155 29.736 -11.042 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.255 33.174 -11.108 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.281 30.639 -11.471 1.00 0.00 H new ATOM 1270 N THR A 92 6.058 30.427 -9.383 1.00 0.00 N ATOM 1271 CA THR A 92 7.430 30.757 -9.024 1.00 0.00 C ATOM 1272 C THR A 92 8.372 30.372 -10.162 1.00 0.00 C ATOM 1273 O THR A 92 8.200 29.329 -10.791 1.00 0.00 O ATOM 1274 CB THR A 92 7.824 30.191 -7.653 1.00 0.00 C ATOM 1275 OG1 THR A 92 8.901 30.940 -7.125 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.255 28.733 -7.739 1.00 0.00 C ATOM 0 H THR A 92 5.635 29.696 -8.810 1.00 0.00 H new ATOM 0 HA THR A 92 7.517 31.836 -8.898 1.00 0.00 H new ATOM 0 HB THR A 92 6.946 30.257 -7.011 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.152 30.580 -6.249 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.525 28.374 -6.746 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.433 28.133 -8.131 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.116 28.647 -8.402 1.00 0.00 H new ATOM 1284 N GLY A 93 9.359 31.232 -10.421 1.00 0.00 N ATOM 1285 CA GLY A 93 10.333 31.064 -11.485 1.00 0.00 C ATOM 1286 C GLY A 93 9.892 31.874 -12.710 1.00 0.00 C ATOM 1287 O GLY A 93 10.731 32.264 -13.520 1.00 0.00 O ATOM 0 H GLY A 93 9.501 32.084 -9.879 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.315 31.396 -11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.425 30.010 -11.746 1.00 0.00 H new ATOM 1291 N ALA A 94 8.580 32.133 -12.835 1.00 0.00 N ATOM 1292 CA ALA A 94 7.973 32.895 -13.917 1.00 0.00 C ATOM 1293 C ALA A 94 7.837 34.365 -13.492 1.00 0.00 C ATOM 1294 O ALA A 94 8.531 34.800 -12.574 1.00 0.00 O ATOM 1295 CB ALA A 94 6.628 32.255 -14.280 1.00 0.00 C ATOM 0 H ALA A 94 7.895 31.801 -12.156 1.00 0.00 H new ATOM 0 HA ALA A 94 8.599 32.877 -14.809 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.164 32.818 -15.090 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.789 31.225 -14.600 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.973 32.266 -13.409 1.00 0.00 H new ATOM 1301 N SER A 95 6.942 35.128 -14.138 1.00 0.00 N ATOM 1302 CA SER A 95 6.730 36.542 -13.844 1.00 0.00 C ATOM 1303 C SER A 95 5.299 36.966 -14.184 1.00 0.00 C ATOM 1304 O SER A 95 5.037 37.398 -15.306 1.00 0.00 O ATOM 1305 CB SER A 95 7.739 37.399 -14.623 1.00 0.00 C ATOM 1306 OG SER A 95 9.062 37.153 -14.199 1.00 0.00 O ATOM 0 H SER A 95 6.344 34.772 -14.884 1.00 0.00 H new ATOM 0 HA SER A 95 6.882 36.696 -12.776 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.652 37.187 -15.689 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.503 38.454 -14.488 1.00 0.00 H new ATOM 0 HG SER A 95 9.680 37.712 -14.715 1.00 0.00 H new ATOM 1312 N GLY A 96 4.380 36.830 -13.217 1.00 0.00 N ATOM 1313 CA GLY A 96 2.980 37.212 -13.355 1.00 0.00 C ATOM 1314 C GLY A 96 2.033 36.020 -13.230 1.00 0.00 C ATOM 1315 O GLY A 96 2.149 35.220 -12.302 1.00 0.00 O ATOM 0 H GLY A 96 4.601 36.442 -12.300 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.732 37.951 -12.593 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.831 37.690 -14.323 1.00 0.00 H new ATOM 1319 N ASN A 97 1.103 35.909 -14.186 1.00 0.00 N ATOM 1320 CA ASN A 97 0.089 34.863 -14.252 1.00 0.00 C ATOM 1321 C ASN A 97 0.684 33.571 -14.812 1.00 0.00 C ATOM 1322 O ASN A 97 0.291 32.484 -14.389 1.00 0.00 O ATOM 1323 CB ASN A 97 -1.064 35.365 -15.134 1.00 0.00 C ATOM 1324 CG ASN A 97 -2.180 34.332 -15.283 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -3.057 34.237 -14.427 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -2.150 33.557 -16.372 1.00 0.00 N ATOM 0 H ASN A 97 1.038 36.571 -14.959 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.284 34.641 -13.252 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.474 36.279 -14.704 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.677 35.622 -16.120 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.874 32.853 -16.517 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.403 33.670 -17.058 1.00 0.00 H new ATOM 1333 N ASN A 98 1.627 33.703 -15.756 1.00 0.00 N ATOM 1334 CA ASN A 98 2.334 32.613 -16.414 1.00 0.00 C ATOM 1335 C ASN A 98 2.789 31.528 -15.427 1.00 0.00 C ATOM 1336 O ASN A 98 3.328 31.823 -14.362 1.00 0.00 O ATOM 1337 CB ASN A 98 3.491 33.172 -17.260 1.00 0.00 C ATOM 1338 CG ASN A 98 4.432 34.120 -16.510 1.00 0.00 C ATOM 1339 OD1 ASN A 98 4.312 34.323 -15.303 1.00 0.00 O ATOM 1340 ND2 ASN A 98 5.382 34.715 -17.234 1.00 0.00 N ATOM 0 H ASN A 98 1.926 34.619 -16.092 1.00 0.00 H new ATOM 0 HA ASN A 98 1.638 32.112 -17.087 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.073 32.338 -17.651 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.074 33.699 -18.118 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.035 35.359 -16.788 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.455 34.526 -18.234 1.00 0.00 H new ATOM 1347 N PHE A 99 2.544 30.271 -15.809 1.00 0.00 N ATOM 1348 CA PHE A 99 2.850 29.066 -15.050 1.00 0.00 C ATOM 1349 C PHE A 99 4.061 28.332 -15.639 1.00 0.00 C ATOM 1350 O PHE A 99 4.428 28.542 -16.795 1.00 0.00 O ATOM 1351 CB PHE A 99 1.635 28.124 -15.162 1.00 0.00 C ATOM 1352 CG PHE A 99 0.699 28.155 -13.976 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.093 27.501 -12.800 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.546 28.807 -14.036 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.259 27.504 -11.673 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.384 28.811 -12.905 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.974 28.169 -11.722 1.00 0.00 C ATOM 0 H PHE A 99 2.103 30.061 -16.705 1.00 0.00 H new ATOM 0 HA PHE A 99 3.070 29.343 -14.019 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.072 28.385 -16.058 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.995 27.104 -15.297 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.045 26.992 -12.762 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.857 29.302 -14.944 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.565 26.996 -10.771 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.342 29.307 -12.945 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.611 28.189 -10.850 1.00 0.00 H new ATOM 1367 N VAL A 100 4.664 27.466 -14.816 1.00 0.00 N ATOM 1368 CA VAL A 100 5.796 26.604 -15.140 1.00 0.00 C ATOM 1369 C VAL A 100 5.524 25.248 -14.487 1.00 0.00 C ATOM 1370 O VAL A 100 4.651 25.133 -13.628 1.00 0.00 O ATOM 1371 CB VAL A 100 7.167 27.190 -14.760 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.551 28.335 -15.699 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.266 27.644 -13.304 1.00 0.00 C ATOM 0 H VAL A 100 4.354 27.345 -13.852 1.00 0.00 H new ATOM 0 HA VAL A 100 5.872 26.501 -16.223 1.00 0.00 H new ATOM 0 HB VAL A 100 7.876 26.370 -14.873 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.524 28.732 -15.410 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.600 27.965 -16.723 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.803 29.125 -15.634 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.262 28.045 -13.115 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.522 28.417 -13.112 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.085 26.795 -12.645 1.00 0.00 H new ATOM 1383 N GLY A 101 6.282 24.223 -14.886 1.00 0.00 N ATOM 1384 CA GLY A 101 6.119 22.866 -14.388 1.00 0.00 C ATOM 1385 C GLY A 101 7.004 22.542 -13.186 1.00 0.00 C ATOM 1386 O GLY A 101 8.082 23.112 -13.026 1.00 0.00 O ATOM 0 H GLY A 101 7.032 24.319 -15.571 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.076 22.713 -14.112 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.342 22.164 -15.192 1.00 0.00 H new ATOM 1390 N CYS A 102 6.524 21.615 -12.346 1.00 0.00 N ATOM 1391 CA CYS A 102 7.205 21.131 -11.149 1.00 0.00 C ATOM 1392 C CYS A 102 8.099 19.945 -11.523 1.00 0.00 C ATOM 1393 O CYS A 102 8.361 19.702 -12.700 1.00 0.00 O ATOM 1394 CB CYS A 102 6.141 20.725 -10.117 1.00 0.00 C ATOM 1395 SG CYS A 102 6.454 21.155 -8.386 1.00 0.00 S ATOM 0 H CYS A 102 5.618 21.169 -12.491 1.00 0.00 H new ATOM 0 HA CYS A 102 7.837 21.908 -10.718 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.195 21.180 -10.411 1.00 0.00 H new ATOM 0 HB3 CYS A 102 6.008 19.645 -10.177 1.00 0.00 H new ATOM 1400 N SER A 103 8.580 19.203 -10.520 1.00 0.00 N ATOM 1401 CA SER A 103 9.417 18.030 -10.734 1.00 0.00 C ATOM 1402 C SER A 103 8.632 16.968 -11.512 1.00 0.00 C ATOM 1403 O SER A 103 7.506 16.635 -11.144 1.00 0.00 O ATOM 1404 CB SER A 103 9.901 17.483 -9.389 1.00 0.00 C ATOM 1405 OG SER A 103 10.763 16.382 -9.585 1.00 0.00 O ATOM 0 H SER A 103 8.396 19.404 -9.537 1.00 0.00 H new ATOM 0 HA SER A 103 10.292 18.308 -11.322 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.421 18.266 -8.837 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.046 17.180 -8.784 1.00 0.00 H new ATOM 0 HG SER A 103 11.065 16.045 -8.716 1.00 0.00 H new ATOM 1411 N GLY A 104 9.231 16.449 -12.591 1.00 0.00 N ATOM 1412 CA GLY A 104 8.626 15.445 -13.454 1.00 0.00 C ATOM 1413 C GLY A 104 7.485 16.022 -14.297 1.00 0.00 C ATOM 1414 O GLY A 104 6.559 15.294 -14.653 1.00 0.00 O ATOM 0 H GLY A 104 10.167 16.725 -12.888 1.00 0.00 H new ATOM 0 HA2 GLY A 104 9.387 15.027 -14.113 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.247 14.625 -12.845 1.00 0.00 H new ATOM 1418 N THR A 105 7.553 17.324 -14.609 1.00 0.00 N ATOM 1419 CA THR A 105 6.575 18.048 -15.408 1.00 0.00 C ATOM 1420 C THR A 105 7.319 19.191 -16.101 1.00 0.00 C ATOM 1421 O THR A 105 7.847 20.076 -15.430 1.00 0.00 O ATOM 1422 CB THR A 105 5.438 18.573 -14.513 1.00 0.00 C ATOM 1423 OG1 THR A 105 4.797 17.509 -13.840 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.386 19.326 -15.332 1.00 0.00 C ATOM 0 H THR A 105 8.322 17.917 -14.296 1.00 0.00 H new ATOM 0 HA THR A 105 6.114 17.399 -16.152 1.00 0.00 H new ATOM 0 HB THR A 105 5.892 19.252 -13.791 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.079 17.864 -13.276 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.597 19.684 -14.670 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.853 20.175 -15.832 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.958 18.656 -16.078 1.00 0.00 H new ATOM 1432 N ASN A 106 7.372 19.169 -17.437 1.00 0.00 N ATOM 1433 CA ASN A 106 8.057 20.190 -18.218 1.00 0.00 C ATOM 1434 C ASN A 106 7.241 21.485 -18.225 1.00 0.00 C ATOM 1435 O ASN A 106 6.060 21.413 -18.629 1.00 0.00 O ATOM 1436 CB ASN A 106 8.307 19.666 -19.638 1.00 0.00 C ATOM 1437 CG ASN A 106 9.181 20.624 -20.443 1.00 0.00 C ATOM 1438 OD1 ASN A 106 8.677 21.394 -21.257 1.00 0.00 O ATOM 1439 ND2 ASN A 106 10.498 20.570 -20.220 1.00 0.00 N ATOM 1440 OXT ASN A 106 7.766 22.490 -17.696 1.00 0.00 O ATOM 0 H ASN A 106 6.939 18.439 -18.003 1.00 0.00 H new ATOM 0 HA ASN A 106 9.023 20.416 -17.765 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.788 18.689 -19.587 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.354 19.526 -20.148 1.00 0.00 H new ATOM 0 HD21 ASN A 106 11.128 21.184 -20.736 1.00 0.00 H new ATOM 0 HD22 ASN A 106 10.873 19.915 -19.534 1.00 0.00 H new TER 1447 ASN A 106