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 95 SER OG : rot 130:sc= 0.289 USER MOD Set 1.2: A 98 ASN : amide:sc= 0.0152 X(o=0.3,f=0.67) USER MOD Set 2.1: A 62 LYS NZ :NH3+ 136:sc= 0.695 (180deg=0) USER MOD Set 2.2: A 68 THR OG1 : rot 160:sc= 0.603 USER MOD Set 3.1: A 37 THR OG1 : rot -26:sc= 0.691 USER MOD Set 3.2: A 40 HIS : no HD1:sc= -3.33 X(o=-2.6,f=-2.5) USER MOD Set 4.1: A 35 SER OG : rot -126:sc= 0.27 USER MOD Set 4.2: A 36 SER OG : rot 180:sc= 0.254 USER MOD Set 4.3: A 67 TYR OH : rot 180:sc= 0.254 USER MOD Set 5.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 5 THR OG1 : rot 57:sc= 0.0539 USER MOD Set 6.2: A 10 ASN : amide:sc= -0.0722 K(o=-0.018,f=1.4) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00739 USER MOD Single : A 4 THR OG1 : rot 56:sc= 0.855 USER MOD Single : A 11 TYR OH : rot -30:sc= 0.0223 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0991 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.14) USER MOD Single : A 21 ASN : amide:sc= 0.745 K(o=0.75,f=0) USER MOD Single : A 25 GLN : amide:sc= 0.298 X(o=0.3,f=-0.019) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.7!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00708 USER MOD Single : A 42 TYR OH : rot -160:sc= 0.489 USER MOD Single : A 43 ASN : amide:sc= -0.105 K(o=-0.1,f=-2.3) USER MOD Single : A 44 ASN : amide:sc= -0.0583 X(o=-0.058,f=-0.058) USER MOD Single : A 45 TYR OH : rot -81:sc= 0.0837 USER MOD Single : A 56 TYR OH : rot 178:sc= -0.283 USER MOD Single : A 57 GLN : amide:sc= -4.99 K(o=-5,f=-7.2!) USER MOD Single : A 63 SER OG : rot 59:sc= 0.153 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.169 K(o=-0.17,f=-0.81) USER MOD Single : A 81 THR OG1 : rot -35:sc= 0.41 USER MOD Single : A 82 ASN : amide:sc= -0.0299 X(o=-0.03,f=-0.1) USER MOD Single : A 85 TYR OH : rot 124:sc= -0.876 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -2.95 K(o=-3,f=-3.6!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 170:sc= -0.193 USER MOD Single : A 105 THR OG1 : rot 130:sc= 0.01 USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 3.836 11.726 -5.411 1.00 0.00 N ATOM 16 CA SER A 2 5.171 11.674 -4.826 1.00 0.00 C ATOM 17 C SER A 2 5.718 13.096 -4.663 1.00 0.00 C ATOM 18 O SER A 2 5.088 14.051 -5.110 1.00 0.00 O ATOM 19 CB SER A 2 6.084 10.801 -5.696 1.00 0.00 C ATOM 20 OG SER A 2 7.281 10.504 -5.007 1.00 0.00 O ATOM 0 HA SER A 2 5.129 11.221 -3.836 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.570 9.877 -5.961 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.312 11.318 -6.628 1.00 0.00 H new ATOM 0 HG SER A 2 7.854 9.945 -5.572 1.00 0.00 H new ATOM 26 N ALA A 3 6.895 13.233 -4.036 1.00 0.00 N ATOM 27 CA ALA A 3 7.551 14.510 -3.768 1.00 0.00 C ATOM 28 C ALA A 3 7.718 15.375 -5.018 1.00 0.00 C ATOM 29 O ALA A 3 7.865 14.855 -6.123 1.00 0.00 O ATOM 30 CB ALA A 3 8.910 14.258 -3.109 1.00 0.00 C ATOM 0 H ALA A 3 7.427 12.433 -3.694 1.00 0.00 H new ATOM 0 HA ALA A 3 6.903 15.070 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.400 15.211 -2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.766 13.720 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.533 13.663 -3.776 1.00 0.00 H new ATOM 36 N THR A 4 7.698 16.701 -4.824 1.00 0.00 N ATOM 37 CA THR A 4 7.857 17.680 -5.893 1.00 0.00 C ATOM 38 C THR A 4 8.538 18.933 -5.335 1.00 0.00 C ATOM 39 O THR A 4 8.483 19.180 -4.132 1.00 0.00 O ATOM 40 CB THR A 4 6.504 17.967 -6.574 1.00 0.00 C ATOM 41 OG1 THR A 4 6.718 18.590 -7.823 1.00 0.00 O ATOM 42 CG2 THR A 4 5.595 18.878 -5.750 1.00 0.00 C ATOM 0 H THR A 4 7.569 17.123 -3.905 1.00 0.00 H new ATOM 0 HA THR A 4 8.504 17.283 -6.675 1.00 0.00 H new ATOM 0 HB THR A 4 6.011 17.001 -6.683 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.308 18.031 -8.370 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.660 19.040 -6.286 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.386 18.410 -4.788 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.090 19.835 -5.587 1.00 0.00 H new ATOM 50 N THR A 5 9.194 19.716 -6.201 1.00 0.00 N ATOM 51 CA THR A 5 9.877 20.942 -5.841 1.00 0.00 C ATOM 52 C THR A 5 9.505 21.995 -6.886 1.00 0.00 C ATOM 53 O THR A 5 9.900 21.900 -8.045 1.00 0.00 O ATOM 54 CB THR A 5 11.388 20.648 -5.713 1.00 0.00 C ATOM 55 OG1 THR A 5 11.741 20.588 -4.349 1.00 0.00 O ATOM 56 CG2 THR A 5 12.293 21.659 -6.414 1.00 0.00 C ATOM 0 H THR A 5 9.260 19.499 -7.195 1.00 0.00 H new ATOM 0 HA THR A 5 9.576 21.339 -4.872 1.00 0.00 H new ATOM 0 HB THR A 5 11.548 19.693 -6.214 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.192 19.913 -3.898 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.335 21.374 -6.272 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.063 21.675 -7.479 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.127 22.650 -5.992 1.00 0.00 H new ATOM 64 N CYS A 6 8.726 22.998 -6.465 1.00 0.00 N ATOM 65 CA CYS A 6 8.287 24.093 -7.311 1.00 0.00 C ATOM 66 C CYS A 6 9.314 25.216 -7.204 1.00 0.00 C ATOM 67 O CYS A 6 9.070 26.245 -6.575 1.00 0.00 O ATOM 68 CB CYS A 6 6.866 24.500 -6.909 1.00 0.00 C ATOM 69 SG CYS A 6 5.586 23.274 -7.334 1.00 0.00 S ATOM 0 H CYS A 6 8.381 23.065 -5.507 1.00 0.00 H new ATOM 0 HA CYS A 6 8.232 23.809 -8.362 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.841 24.676 -5.834 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.621 25.446 -7.392 1.00 0.00 H new ATOM 74 N GLY A 7 10.475 24.981 -7.831 1.00 0.00 N ATOM 75 CA GLY A 7 11.605 25.889 -7.859 1.00 0.00 C ATOM 76 C GLY A 7 12.319 25.850 -6.511 1.00 0.00 C ATOM 77 O GLY A 7 13.195 25.014 -6.299 1.00 0.00 O ATOM 0 H GLY A 7 10.648 24.119 -8.348 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.293 25.607 -8.656 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.266 26.902 -8.075 1.00 0.00 H new ATOM 81 N SER A 8 11.934 26.764 -5.616 1.00 0.00 N ATOM 82 CA SER A 8 12.471 26.888 -4.270 1.00 0.00 C ATOM 83 C SER A 8 11.542 26.222 -3.257 1.00 0.00 C ATOM 84 O SER A 8 12.019 25.619 -2.297 1.00 0.00 O ATOM 85 CB SER A 8 12.663 28.369 -3.926 1.00 0.00 C ATOM 86 OG SER A 8 11.442 29.071 -4.031 1.00 0.00 O ATOM 0 H SER A 8 11.216 27.458 -5.821 1.00 0.00 H new ATOM 0 HA SER A 8 13.436 26.384 -4.227 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.056 28.464 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.400 28.810 -4.597 1.00 0.00 H new ATOM 0 HG SER A 8 11.586 30.014 -3.806 1.00 0.00 H new ATOM 92 N THR A 9 10.222 26.319 -3.476 1.00 0.00 N ATOM 93 CA THR A 9 9.214 25.759 -2.589 1.00 0.00 C ATOM 94 C THR A 9 9.213 24.231 -2.691 1.00 0.00 C ATOM 95 O THR A 9 8.613 23.664 -3.602 1.00 0.00 O ATOM 96 CB THR A 9 7.841 26.378 -2.902 1.00 0.00 C ATOM 97 OG1 THR A 9 7.959 27.771 -3.110 1.00 0.00 O ATOM 98 CG2 THR A 9 6.884 26.153 -1.728 1.00 0.00 C ATOM 0 H THR A 9 9.829 26.796 -4.287 1.00 0.00 H new ATOM 0 HA THR A 9 9.450 26.007 -1.554 1.00 0.00 H new ATOM 0 HB THR A 9 7.457 25.900 -3.803 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.077 28.148 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.915 26.595 -1.959 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.764 25.083 -1.556 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.291 26.621 -0.832 1.00 0.00 H new ATOM 106 N ASN A 10 9.899 23.572 -1.748 1.00 0.00 N ATOM 107 CA ASN A 10 10.026 22.124 -1.680 1.00 0.00 C ATOM 108 C ASN A 10 8.799 21.507 -1.009 1.00 0.00 C ATOM 109 O ASN A 10 8.151 22.153 -0.184 1.00 0.00 O ATOM 110 CB ASN A 10 11.311 21.770 -0.917 1.00 0.00 C ATOM 111 CG ASN A 10 11.484 20.263 -0.718 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.481 19.498 -1.681 1.00 0.00 O ATOM 113 ND2 ASN A 10 11.626 19.828 0.539 1.00 0.00 N ATOM 0 H ASN A 10 10.392 24.051 -0.994 1.00 0.00 H new ATOM 0 HA ASN A 10 10.086 21.715 -2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.171 22.162 -1.461 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.298 22.262 0.056 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.737 18.831 0.724 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.624 20.493 1.312 1.00 0.00 H new ATOM 120 N TYR A 11 8.484 20.259 -1.378 1.00 0.00 N ATOM 121 CA TYR A 11 7.365 19.510 -0.831 1.00 0.00 C ATOM 122 C TYR A 11 7.705 18.031 -0.710 1.00 0.00 C ATOM 123 O TYR A 11 8.172 17.408 -1.663 1.00 0.00 O ATOM 124 CB TYR A 11 6.134 19.607 -1.734 1.00 0.00 C ATOM 125 CG TYR A 11 5.664 21.000 -2.063 1.00 0.00 C ATOM 126 CD1 TYR A 11 4.860 21.707 -1.154 1.00 0.00 C ATOM 127 CD2 TYR A 11 6.027 21.588 -3.287 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.417 22.999 -1.476 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.578 22.877 -3.603 1.00 0.00 C ATOM 130 CZ TYR A 11 4.765 23.579 -2.704 1.00 0.00 C ATOM 131 OH TYR A 11 4.322 24.828 -3.017 1.00 0.00 O ATOM 0 H TYR A 11 9.014 19.740 -2.078 1.00 0.00 H new ATOM 0 HA TYR A 11 7.157 19.943 0.147 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.351 19.088 -2.668 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.314 19.072 -1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.584 21.258 -0.211 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.651 21.047 -3.983 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.806 23.548 -0.775 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.859 23.330 -4.542 1.00 0.00 H new ATOM 0 HH TYR A 11 3.458 24.987 -2.583 1.00 0.00 H new ATOM 141 N SER A 12 7.447 17.490 0.482 1.00 0.00 N ATOM 142 CA SER A 12 7.638 16.094 0.823 1.00 0.00 C ATOM 143 C SER A 12 6.603 15.283 0.075 1.00 0.00 C ATOM 144 O SER A 12 5.557 15.807 -0.314 1.00 0.00 O ATOM 145 CB SER A 12 7.474 15.925 2.338 1.00 0.00 C ATOM 146 OG SER A 12 6.217 16.407 2.764 1.00 0.00 O ATOM 0 H SER A 12 7.086 18.040 1.261 1.00 0.00 H new ATOM 0 HA SER A 12 8.635 15.752 0.544 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.574 14.873 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.269 16.462 2.856 1.00 0.00 H new ATOM 0 HG SER A 12 6.132 16.288 3.733 1.00 0.00 H new ATOM 152 N ALA A 13 6.904 13.997 -0.145 1.00 0.00 N ATOM 153 CA ALA A 13 5.949 13.114 -0.786 1.00 0.00 C ATOM 154 C ALA A 13 4.704 13.103 0.098 1.00 0.00 C ATOM 155 O ALA A 13 3.616 12.813 -0.388 1.00 0.00 O ATOM 156 CB ALA A 13 6.533 11.706 -0.929 1.00 0.00 C ATOM 0 H ALA A 13 7.789 13.559 0.110 1.00 0.00 H new ATOM 0 HA ALA A 13 5.706 13.458 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.803 11.057 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.438 11.747 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.774 11.310 0.058 1.00 0.00 H new ATOM 162 N SER A 14 4.872 13.443 1.388 1.00 0.00 N ATOM 163 CA SER A 14 3.779 13.490 2.340 1.00 0.00 C ATOM 164 C SER A 14 2.849 14.658 1.995 1.00 0.00 C ATOM 165 O SER A 14 1.637 14.496 2.066 1.00 0.00 O ATOM 166 CB SER A 14 4.319 13.589 3.771 1.00 0.00 C ATOM 167 OG SER A 14 3.248 13.562 4.690 1.00 0.00 O ATOM 0 H SER A 14 5.777 13.691 1.788 1.00 0.00 H new ATOM 0 HA SER A 14 3.200 12.568 2.280 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.001 12.763 3.970 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.890 14.510 3.891 1.00 0.00 H new ATOM 0 HG SER A 14 3.599 13.624 5.603 1.00 0.00 H new ATOM 173 N GLN A 15 3.405 15.819 1.613 1.00 0.00 N ATOM 174 CA GLN A 15 2.644 17.013 1.258 1.00 0.00 C ATOM 175 C GLN A 15 1.866 16.856 -0.045 1.00 0.00 C ATOM 176 O GLN A 15 0.682 17.181 -0.092 1.00 0.00 O ATOM 177 CB GLN A 15 3.558 18.247 1.220 1.00 0.00 C ATOM 178 CG GLN A 15 3.744 18.870 2.610 1.00 0.00 C ATOM 179 CD GLN A 15 2.715 19.967 2.895 1.00 0.00 C ATOM 180 OE1 GLN A 15 3.067 21.143 2.967 1.00 0.00 O ATOM 181 NE2 GLN A 15 1.441 19.602 3.055 1.00 0.00 N ATOM 0 H GLN A 15 4.414 15.950 1.543 1.00 0.00 H new ATOM 0 HA GLN A 15 1.898 17.158 2.040 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.530 17.965 0.816 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.135 18.990 0.544 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.662 18.092 3.369 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.748 19.287 2.688 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.180 18.618 2.989 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.728 20.307 3.243 1.00 0.00 H new ATOM 190 N VAL A 16 2.527 16.369 -1.100 1.00 0.00 N ATOM 191 CA VAL A 16 1.902 16.152 -2.399 1.00 0.00 C ATOM 192 C VAL A 16 0.769 15.130 -2.232 1.00 0.00 C ATOM 193 O VAL A 16 -0.337 15.353 -2.720 1.00 0.00 O ATOM 194 CB VAL A 16 2.915 15.702 -3.457 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.244 15.696 -4.829 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.102 16.672 -3.517 1.00 0.00 C ATOM 0 H VAL A 16 3.514 16.115 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 16 1.493 17.096 -2.759 1.00 0.00 H new ATOM 0 HB VAL A 16 3.268 14.706 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.962 15.376 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.399 15.008 -4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.891 16.700 -5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.810 16.335 -4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.744 17.669 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.597 16.702 -2.546 1.00 0.00 H new ATOM 206 N ARG A 17 1.054 14.020 -1.529 1.00 0.00 N ATOM 207 CA ARG A 17 0.089 12.959 -1.262 1.00 0.00 C ATOM 208 C ARG A 17 -1.054 13.475 -0.390 1.00 0.00 C ATOM 209 O ARG A 17 -2.197 13.106 -0.623 1.00 0.00 O ATOM 210 CB ARG A 17 0.741 11.754 -0.561 1.00 0.00 C ATOM 211 CG ARG A 17 1.575 10.873 -1.502 1.00 0.00 C ATOM 212 CD ARG A 17 2.387 9.830 -0.721 1.00 0.00 C ATOM 213 NE ARG A 17 1.537 8.999 0.142 1.00 0.00 N ATOM 214 CZ ARG A 17 1.976 8.244 1.166 1.00 0.00 C ATOM 215 NH1 ARG A 17 3.284 8.167 1.462 1.00 0.00 N ATOM 216 NH2 ARG A 17 1.093 7.559 1.904 1.00 0.00 N ATOM 0 H ARG A 17 1.975 13.840 -1.129 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.297 12.636 -2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.379 12.115 0.246 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.039 11.145 -0.103 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.917 10.368 -2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.250 11.499 -2.086 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.925 9.192 -1.422 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.136 10.336 -0.112 1.00 0.00 H new ATOM 0 HE ARG A 17 0.535 8.994 -0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.964 8.686 0.907 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.597 7.589 2.242 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.098 7.612 1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.416 6.984 2.682 1.00 0.00 H new ATOM 230 N ALA A 18 -0.769 14.326 0.604 1.00 0.00 N ATOM 231 CA ALA A 18 -1.789 14.853 1.497 1.00 0.00 C ATOM 232 C ALA A 18 -2.765 15.739 0.727 1.00 0.00 C ATOM 233 O ALA A 18 -3.975 15.532 0.801 1.00 0.00 O ATOM 234 CB ALA A 18 -1.138 15.599 2.663 1.00 0.00 C ATOM 0 H ALA A 18 0.173 14.663 0.805 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.361 14.025 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.913 15.988 3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.496 14.916 3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.540 16.425 2.278 1.00 0.00 H new ATOM 240 N ALA A 19 -2.231 16.713 -0.020 1.00 0.00 N ATOM 241 CA ALA A 19 -3.027 17.646 -0.802 1.00 0.00 C ATOM 242 C ALA A 19 -3.857 16.925 -1.860 1.00 0.00 C ATOM 243 O ALA A 19 -4.973 17.353 -2.149 1.00 0.00 O ATOM 244 CB ALA A 19 -2.134 18.717 -1.430 1.00 0.00 C ATOM 0 H ALA A 19 -1.226 16.871 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.727 18.139 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.746 19.406 -2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.617 19.266 -0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.402 18.243 -2.083 1.00 0.00 H new ATOM 250 N ALA A 20 -3.321 15.832 -2.424 1.00 0.00 N ATOM 251 CA ALA A 20 -4.003 15.065 -3.452 1.00 0.00 C ATOM 252 C ALA A 20 -5.069 14.141 -2.891 1.00 0.00 C ATOM 253 O ALA A 20 -6.154 14.068 -3.463 1.00 0.00 O ATOM 254 CB ALA A 20 -2.995 14.340 -4.343 1.00 0.00 C ATOM 0 H ALA A 20 -2.403 15.464 -2.174 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.546 15.771 -4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.527 13.772 -5.106 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.343 15.070 -4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.396 13.661 -3.737 1.00 0.00 H new ATOM 260 N ASN A 21 -4.779 13.431 -1.797 1.00 0.00 N ATOM 261 CA ASN A 21 -5.759 12.559 -1.171 1.00 0.00 C ATOM 262 C ASN A 21 -6.845 13.427 -0.522 1.00 0.00 C ATOM 263 O ASN A 21 -7.913 12.916 -0.193 1.00 0.00 O ATOM 264 CB ASN A 21 -5.101 11.618 -0.154 1.00 0.00 C ATOM 265 CG ASN A 21 -4.444 10.418 -0.837 1.00 0.00 C ATOM 266 OD1 ASN A 21 -4.964 9.306 -0.768 1.00 0.00 O ATOM 267 ND2 ASN A 21 -3.307 10.631 -1.503 1.00 0.00 N ATOM 0 H ASN A 21 -3.872 13.448 -1.331 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.216 11.921 -1.928 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.352 12.166 0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.850 11.268 0.556 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.841 9.857 -1.976 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.905 11.568 -1.539 1.00 0.00 H new ATOM 274 N ALA A 22 -6.593 14.738 -0.353 1.00 0.00 N ATOM 275 CA ALA A 22 -7.556 15.637 0.268 1.00 0.00 C ATOM 276 C ALA A 22 -8.479 16.053 -0.860 1.00 0.00 C ATOM 277 O ALA A 22 -9.677 15.786 -0.807 1.00 0.00 O ATOM 278 CB ALA A 22 -6.851 16.822 0.922 1.00 0.00 C ATOM 0 H ALA A 22 -5.725 15.190 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.116 15.165 1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.591 17.479 1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.165 16.460 1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.292 17.375 0.167 1.00 0.00 H new ATOM 284 N ALA A 23 -7.893 16.703 -1.874 1.00 0.00 N ATOM 285 CA ALA A 23 -8.577 17.142 -3.083 1.00 0.00 C ATOM 286 C ALA A 23 -9.424 16.004 -3.673 1.00 0.00 C ATOM 287 O ALA A 23 -10.502 16.259 -4.202 1.00 0.00 O ATOM 288 CB ALA A 23 -7.531 17.600 -4.101 1.00 0.00 C ATOM 0 H ALA A 23 -6.901 16.942 -1.869 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.246 17.967 -2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.030 17.931 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.953 18.424 -3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.863 16.771 -4.335 1.00 0.00 H new ATOM 294 N CYS A 24 -8.931 14.758 -3.586 1.00 0.00 N ATOM 295 CA CYS A 24 -9.605 13.558 -4.065 1.00 0.00 C ATOM 296 C CYS A 24 -10.867 13.310 -3.247 1.00 0.00 C ATOM 297 O CYS A 24 -11.960 13.364 -3.800 1.00 0.00 O ATOM 298 CB CYS A 24 -8.667 12.345 -3.981 1.00 0.00 C ATOM 299 SG CYS A 24 -9.497 10.727 -3.967 1.00 0.00 S ATOM 0 H CYS A 24 -8.023 14.561 -3.166 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.883 13.704 -5.109 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.981 12.377 -4.827 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.063 12.434 -3.078 1.00 0.00 H new ATOM 304 N GLN A 25 -10.721 13.054 -1.939 1.00 0.00 N ATOM 305 CA GLN A 25 -11.839 12.773 -1.042 1.00 0.00 C ATOM 306 C GLN A 25 -12.881 13.894 -1.062 1.00 0.00 C ATOM 307 O GLN A 25 -14.064 13.639 -0.842 1.00 0.00 O ATOM 308 CB GLN A 25 -11.313 12.497 0.377 1.00 0.00 C ATOM 309 CG GLN A 25 -11.172 10.994 0.665 1.00 0.00 C ATOM 310 CD GLN A 25 -10.421 10.220 -0.421 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.029 9.470 -1.180 1.00 0.00 O ATOM 312 NE2 GLN A 25 -9.098 10.385 -0.493 1.00 0.00 N ATOM 0 H GLN A 25 -9.813 13.037 -1.475 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.351 11.878 -1.396 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.345 12.981 0.504 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.990 12.942 1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.653 10.864 1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.166 10.562 0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.627 11.017 0.155 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.558 9.879 -1.196 1.00 0.00 H new ATOM 321 N TYR A 26 -12.439 15.125 -1.337 1.00 0.00 N ATOM 322 CA TYR A 26 -13.293 16.298 -1.414 1.00 0.00 C ATOM 323 C TYR A 26 -14.025 16.371 -2.755 1.00 0.00 C ATOM 324 O TYR A 26 -15.207 16.705 -2.773 1.00 0.00 O ATOM 325 CB TYR A 26 -12.453 17.568 -1.208 1.00 0.00 C ATOM 326 CG TYR A 26 -11.734 17.723 0.124 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.092 16.964 1.259 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.690 18.662 0.222 1.00 0.00 C ATOM 329 CE1 TYR A 26 -11.409 17.143 2.473 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.010 18.842 1.438 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.370 18.084 2.565 1.00 0.00 C ATOM 332 OH TYR A 26 -9.716 18.264 3.749 1.00 0.00 O ATOM 0 H TYR A 26 -11.456 15.330 -1.515 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.042 16.222 -0.626 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.706 17.610 -2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.107 18.430 -1.340 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.894 16.243 1.194 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.410 19.247 -0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.683 16.556 3.337 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.210 19.564 1.507 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.025 18.950 3.640 1.00 0.00 H new ATOM 342 N TYR A 27 -13.345 16.050 -3.866 1.00 0.00 N ATOM 343 CA TYR A 27 -13.910 16.111 -5.209 1.00 0.00 C ATOM 344 C TYR A 27 -14.325 14.723 -5.736 1.00 0.00 C ATOM 345 O TYR A 27 -14.417 14.507 -6.940 1.00 0.00 O ATOM 346 CB TYR A 27 -12.960 16.890 -6.146 1.00 0.00 C ATOM 347 CG TYR A 27 -13.704 17.368 -7.376 1.00 0.00 C ATOM 348 CD1 TYR A 27 -14.475 18.548 -7.323 1.00 0.00 C ATOM 349 CD2 TYR A 27 -13.635 16.621 -8.567 1.00 0.00 C ATOM 350 CE1 TYR A 27 -15.196 18.962 -8.457 1.00 0.00 C ATOM 351 CE2 TYR A 27 -14.357 17.037 -9.699 1.00 0.00 C ATOM 352 CZ TYR A 27 -15.148 18.201 -9.639 1.00 0.00 C ATOM 353 OH TYR A 27 -15.860 18.598 -10.734 1.00 0.00 O ATOM 0 H TYR A 27 -12.374 15.737 -3.849 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.845 16.670 -5.174 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.535 17.743 -5.616 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.127 16.252 -6.442 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.511 19.131 -6.415 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.028 15.729 -8.611 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.787 19.865 -8.420 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.305 16.465 -10.614 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.716 17.962 -11.466 1.00 0.00 H new ATOM 363 N GLN A 28 -14.598 13.766 -4.843 1.00 0.00 N ATOM 364 CA GLN A 28 -15.019 12.415 -5.225 1.00 0.00 C ATOM 365 C GLN A 28 -16.537 12.323 -5.442 1.00 0.00 C ATOM 366 O GLN A 28 -17.084 11.223 -5.512 1.00 0.00 O ATOM 367 CB GLN A 28 -14.486 11.391 -4.207 1.00 0.00 C ATOM 368 CG GLN A 28 -13.188 10.748 -4.717 1.00 0.00 C ATOM 369 CD GLN A 28 -13.448 9.551 -5.633 1.00 0.00 C ATOM 370 OE1 GLN A 28 -14.245 9.634 -6.565 1.00 0.00 O ATOM 371 NE2 GLN A 28 -12.764 8.432 -5.376 1.00 0.00 N ATOM 0 H GLN A 28 -14.533 13.907 -3.835 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.580 12.171 -6.192 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.304 11.882 -3.251 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.236 10.620 -4.032 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.604 11.494 -5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.587 10.427 -3.866 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.111 8.402 -4.593 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.895 7.608 -5.963 1.00 0.00 H new ATOM 380 N ASN A 29 -17.211 13.476 -5.560 1.00 0.00 N ATOM 381 CA ASN A 29 -18.647 13.593 -5.793 1.00 0.00 C ATOM 382 C ASN A 29 -19.453 12.940 -4.669 1.00 0.00 C ATOM 383 O ASN A 29 -20.397 12.189 -4.911 1.00 0.00 O ATOM 384 CB ASN A 29 -19.014 13.072 -7.192 1.00 0.00 C ATOM 385 CG ASN A 29 -18.135 13.691 -8.280 1.00 0.00 C ATOM 386 OD1 ASN A 29 -17.361 12.990 -8.930 1.00 0.00 O ATOM 387 ND2 ASN A 29 -18.244 15.008 -8.475 1.00 0.00 N ATOM 0 H ASN A 29 -16.749 14.383 -5.492 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.919 14.648 -5.774 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.909 11.987 -7.214 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -20.060 13.296 -7.400 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.673 15.468 -9.184 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -18.898 15.554 -7.915 1.00 0.00 H new ATOM 394 N ASP A 30 -19.047 13.243 -3.432 1.00 0.00 N ATOM 395 CA ASP A 30 -19.639 12.781 -2.191 1.00 0.00 C ATOM 396 C ASP A 30 -19.267 13.855 -1.173 1.00 0.00 C ATOM 397 O ASP A 30 -18.405 13.658 -0.318 1.00 0.00 O ATOM 398 CB ASP A 30 -19.100 11.386 -1.845 1.00 0.00 C ATOM 399 CG ASP A 30 -19.612 10.879 -0.498 1.00 0.00 C ATOM 400 OD1 ASP A 30 -20.841 10.964 -0.282 1.00 0.00 O ATOM 401 OD2 ASP A 30 -18.766 10.412 0.295 1.00 0.00 O ATOM 0 H ASP A 30 -18.247 13.855 -3.270 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.721 12.658 -2.231 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -19.389 10.684 -2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -18.011 11.415 -1.829 1.00 0.00 H new ATOM 406 N ASP A 31 -19.944 15.000 -1.316 1.00 0.00 N ATOM 407 CA ASP A 31 -19.799 16.220 -0.538 1.00 0.00 C ATOM 408 C ASP A 31 -18.590 16.969 -1.091 1.00 0.00 C ATOM 409 O ASP A 31 -17.450 16.538 -0.924 1.00 0.00 O ATOM 410 CB ASP A 31 -19.725 16.006 0.974 1.00 0.00 C ATOM 411 CG ASP A 31 -20.841 15.093 1.482 1.00 0.00 C ATOM 412 OD1 ASP A 31 -22.018 15.454 1.262 1.00 0.00 O ATOM 413 OD2 ASP A 31 -20.499 14.046 2.074 1.00 0.00 O ATOM 0 H ASP A 31 -20.660 15.098 -2.036 1.00 0.00 H new ATOM 0 HA ASP A 31 -20.704 16.816 -0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.758 15.573 1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.788 16.970 1.479 1.00 0.00 H new ATOM 418 N THR A 32 -18.868 18.102 -1.739 1.00 0.00 N ATOM 419 CA THR A 32 -17.889 18.962 -2.388 1.00 0.00 C ATOM 420 C THR A 32 -17.283 20.004 -1.450 1.00 0.00 C ATOM 421 O THR A 32 -16.073 20.224 -1.499 1.00 0.00 O ATOM 422 CB THR A 32 -18.478 19.561 -3.672 1.00 0.00 C ATOM 423 OG1 THR A 32 -17.473 20.223 -4.412 1.00 0.00 O ATOM 424 CG2 THR A 32 -19.613 20.536 -3.380 1.00 0.00 C ATOM 0 H THR A 32 -19.821 18.455 -1.827 1.00 0.00 H new ATOM 0 HA THR A 32 -17.040 18.342 -2.675 1.00 0.00 H new ATOM 0 HB THR A 32 -18.883 18.733 -4.254 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.862 20.599 -5.229 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.000 20.935 -4.318 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.411 20.017 -2.850 1.00 0.00 H new ATOM 0 HG23 THR A 32 -19.240 21.354 -2.763 1.00 0.00 H new ATOM 432 N ALA A 33 -18.112 20.635 -0.605 1.00 0.00 N ATOM 433 CA ALA A 33 -17.704 21.674 0.337 1.00 0.00 C ATOM 434 C ALA A 33 -17.129 22.887 -0.405 1.00 0.00 C ATOM 435 O ALA A 33 -17.209 22.974 -1.631 1.00 0.00 O ATOM 436 CB ALA A 33 -16.754 21.098 1.398 1.00 0.00 C ATOM 0 H ALA A 33 -19.110 20.427 -0.561 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.580 22.037 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -16.461 21.887 2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -17.260 20.303 1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -15.866 20.695 0.911 1.00 0.00 H new ATOM 442 N GLY A 34 -16.555 23.840 0.336 1.00 0.00 N ATOM 443 CA GLY A 34 -15.964 25.025 -0.262 1.00 0.00 C ATOM 444 C GLY A 34 -15.251 25.899 0.766 1.00 0.00 C ATOM 445 O GLY A 34 -15.404 25.716 1.973 1.00 0.00 O ATOM 0 H GLY A 34 -16.491 23.807 1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.256 24.725 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -16.743 25.608 -0.753 1.00 0.00 H new ATOM 449 N SER A 35 -14.463 26.851 0.253 1.00 0.00 N ATOM 450 CA SER A 35 -13.694 27.815 1.025 1.00 0.00 C ATOM 451 C SER A 35 -13.597 29.098 0.201 1.00 0.00 C ATOM 452 O SER A 35 -14.056 30.147 0.648 1.00 0.00 O ATOM 453 CB SER A 35 -12.319 27.236 1.378 1.00 0.00 C ATOM 454 OG SER A 35 -11.556 28.175 2.105 1.00 0.00 O ATOM 0 H SER A 35 -14.344 26.970 -0.753 1.00 0.00 H new ATOM 0 HA SER A 35 -14.182 28.041 1.973 1.00 0.00 H new ATOM 0 HB2 SER A 35 -12.442 26.326 1.965 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.791 26.958 0.466 1.00 0.00 H new ATOM 0 HG SER A 35 -10.690 28.304 1.665 1.00 0.00 H new ATOM 460 N SER A 36 -12.999 29.007 -0.997 1.00 0.00 N ATOM 461 CA SER A 36 -12.841 30.114 -1.923 1.00 0.00 C ATOM 462 C SER A 36 -13.456 29.706 -3.261 1.00 0.00 C ATOM 463 O SER A 36 -14.583 30.097 -3.562 1.00 0.00 O ATOM 464 CB SER A 36 -11.362 30.513 -2.026 1.00 0.00 C ATOM 465 OG SER A 36 -10.536 29.405 -2.326 1.00 0.00 O ATOM 0 H SER A 36 -12.605 28.134 -1.348 1.00 0.00 H new ATOM 0 HA SER A 36 -13.363 31.003 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.244 31.273 -2.798 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.041 30.961 -1.086 1.00 0.00 H new ATOM 0 HG SER A 36 -9.603 29.699 -2.385 1.00 0.00 H new ATOM 471 N THR A 37 -12.720 28.922 -4.059 1.00 0.00 N ATOM 472 CA THR A 37 -13.146 28.460 -5.373 1.00 0.00 C ATOM 473 C THR A 37 -12.314 27.222 -5.787 1.00 0.00 C ATOM 474 O THR A 37 -11.892 27.106 -6.935 1.00 0.00 O ATOM 475 CB THR A 37 -13.152 29.675 -6.354 1.00 0.00 C ATOM 476 OG1 THR A 37 -12.919 29.350 -7.708 1.00 0.00 O ATOM 477 CG2 THR A 37 -12.186 30.812 -5.985 1.00 0.00 C ATOM 0 H THR A 37 -11.793 28.588 -3.797 1.00 0.00 H new ATOM 0 HA THR A 37 -14.172 28.093 -5.381 1.00 0.00 H new ATOM 0 HB THR A 37 -14.179 30.021 -6.237 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.395 28.523 -7.761 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.263 31.609 -6.725 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.444 31.204 -5.001 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.165 30.431 -5.967 1.00 0.00 H new ATOM 485 N TYR A 38 -12.059 26.285 -4.852 1.00 0.00 N ATOM 486 CA TYR A 38 -11.269 25.057 -5.048 1.00 0.00 C ATOM 487 C TYR A 38 -11.801 23.992 -4.081 1.00 0.00 C ATOM 488 O TYR A 38 -12.252 24.340 -2.991 1.00 0.00 O ATOM 489 CB TYR A 38 -9.756 25.330 -4.798 1.00 0.00 C ATOM 490 CG TYR A 38 -9.165 26.286 -5.823 1.00 0.00 C ATOM 491 CD1 TYR A 38 -9.483 27.649 -5.724 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.328 25.849 -6.871 1.00 0.00 C ATOM 493 CE1 TYR A 38 -9.016 28.565 -6.664 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.846 26.775 -7.811 1.00 0.00 C ATOM 495 CZ TYR A 38 -8.193 28.134 -7.717 1.00 0.00 C ATOM 496 OH TYR A 38 -7.728 29.025 -8.641 1.00 0.00 O ATOM 0 H TYR A 38 -12.414 26.369 -3.899 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.367 24.707 -6.076 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.624 25.745 -3.799 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.209 24.387 -4.826 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.099 27.993 -4.907 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.059 24.806 -6.950 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.287 29.607 -6.583 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.204 26.440 -8.612 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.173 28.555 -9.298 1.00 0.00 H new ATOM 506 N PRO A 39 -11.766 22.699 -4.449 1.00 0.00 N ATOM 507 CA PRO A 39 -11.260 22.161 -5.704 1.00 0.00 C ATOM 508 C PRO A 39 -12.275 22.333 -6.848 1.00 0.00 C ATOM 509 O PRO A 39 -13.420 21.903 -6.730 1.00 0.00 O ATOM 510 CB PRO A 39 -10.974 20.689 -5.388 1.00 0.00 C ATOM 511 CG PRO A 39 -12.066 20.329 -4.381 1.00 0.00 C ATOM 512 CD PRO A 39 -12.237 21.625 -3.587 1.00 0.00 C ATOM 0 HA PRO A 39 -10.369 22.681 -6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.030 20.067 -6.282 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.978 20.554 -4.967 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.991 20.033 -4.876 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.768 19.499 -3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.281 21.777 -3.312 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.664 21.591 -2.660 1.00 0.00 H new ATOM 520 N HIS A 40 -11.841 22.964 -7.953 1.00 0.00 N ATOM 521 CA HIS A 40 -12.636 23.249 -9.150 1.00 0.00 C ATOM 522 C HIS A 40 -12.042 22.571 -10.375 1.00 0.00 C ATOM 523 O HIS A 40 -10.899 22.127 -10.352 1.00 0.00 O ATOM 524 CB HIS A 40 -12.618 24.753 -9.456 1.00 0.00 C ATOM 525 CG HIS A 40 -13.579 25.577 -8.660 1.00 0.00 C ATOM 526 ND1 HIS A 40 -14.065 26.782 -9.132 1.00 0.00 N ATOM 527 CD2 HIS A 40 -14.151 25.409 -7.425 1.00 0.00 C ATOM 528 CE1 HIS A 40 -14.879 27.276 -8.188 1.00 0.00 C ATOM 529 NE2 HIS A 40 -14.989 26.478 -7.124 1.00 0.00 N ATOM 0 H HIS A 40 -10.882 23.303 -8.035 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.644 22.887 -8.950 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.610 25.131 -9.283 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.834 24.894 -10.515 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -13.975 24.564 -6.776 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -15.392 28.222 -8.279 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -15.555 26.619 -6.287 1.00 0.00 H new ATOM 537 N THR A 41 -12.836 22.512 -11.452 1.00 0.00 N ATOM 538 CA THR A 41 -12.428 21.928 -12.714 1.00 0.00 C ATOM 539 C THR A 41 -11.345 22.764 -13.374 1.00 0.00 C ATOM 540 O THR A 41 -11.346 23.990 -13.265 1.00 0.00 O ATOM 541 CB THR A 41 -13.616 21.758 -13.668 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.388 22.940 -13.720 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.484 20.574 -13.249 1.00 0.00 C ATOM 0 H THR A 41 -13.789 22.876 -11.460 1.00 0.00 H new ATOM 0 HA THR A 41 -12.025 20.939 -12.496 1.00 0.00 H new ATOM 0 HB THR A 41 -13.222 21.559 -14.665 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.140 22.813 -14.335 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.320 20.473 -13.941 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.888 19.662 -13.266 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.865 20.740 -12.241 1.00 0.00 H new ATOM 551 N TYR A 42 -10.428 22.081 -14.070 1.00 0.00 N ATOM 552 CA TYR A 42 -9.336 22.746 -14.782 1.00 0.00 C ATOM 553 C TYR A 42 -9.811 23.137 -16.189 1.00 0.00 C ATOM 554 O TYR A 42 -9.152 22.839 -17.184 1.00 0.00 O ATOM 555 CB TYR A 42 -8.113 21.825 -14.802 1.00 0.00 C ATOM 556 CG TYR A 42 -6.783 22.435 -15.227 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.253 23.545 -14.544 1.00 0.00 C ATOM 558 CD2 TYR A 42 -6.064 21.879 -16.304 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.016 24.094 -14.930 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.828 22.428 -16.691 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.301 23.533 -16.002 1.00 0.00 C ATOM 562 OH TYR A 42 -3.096 24.062 -16.368 1.00 0.00 O ATOM 0 H TYR A 42 -10.423 21.064 -14.154 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.042 23.665 -14.274 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.989 21.409 -13.802 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.330 20.991 -15.470 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.799 23.978 -13.719 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.464 21.028 -16.835 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.616 24.947 -14.402 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.283 21.999 -17.519 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.882 23.786 -17.284 1.00 0.00 H new ATOM 572 N ASN A 43 -10.969 23.811 -16.248 1.00 0.00 N ATOM 573 CA ASN A 43 -11.616 24.291 -17.458 1.00 0.00 C ATOM 574 C ASN A 43 -10.648 25.230 -18.171 1.00 0.00 C ATOM 575 O ASN A 43 -10.232 26.232 -17.593 1.00 0.00 O ATOM 576 CB ASN A 43 -12.931 24.976 -17.056 1.00 0.00 C ATOM 577 CG ASN A 43 -13.725 25.575 -18.215 1.00 0.00 C ATOM 578 OD1 ASN A 43 -13.351 25.458 -19.380 1.00 0.00 O ATOM 579 ND2 ASN A 43 -14.843 26.224 -17.883 1.00 0.00 N ATOM 0 H ASN A 43 -11.498 24.043 -15.407 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.863 23.485 -18.149 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.560 24.249 -16.541 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.707 25.767 -16.341 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -15.423 26.646 -18.609 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -15.118 26.298 -16.904 1.00 0.00 H new ATOM 586 N ASN A 44 -10.297 24.880 -19.417 1.00 0.00 N ATOM 587 CA ASN A 44 -9.365 25.588 -20.284 1.00 0.00 C ATOM 588 C ASN A 44 -7.952 25.233 -19.827 1.00 0.00 C ATOM 589 O ASN A 44 -7.637 25.349 -18.643 1.00 0.00 O ATOM 590 CB ASN A 44 -9.590 27.113 -20.320 1.00 0.00 C ATOM 591 CG ASN A 44 -11.055 27.508 -20.515 1.00 0.00 C ATOM 592 OD1 ASN A 44 -11.619 28.223 -19.690 1.00 0.00 O ATOM 593 ND2 ASN A 44 -11.674 27.045 -21.604 1.00 0.00 N ATOM 0 H ASN A 44 -10.681 24.048 -19.865 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.530 25.269 -21.313 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.225 27.548 -19.390 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.996 27.541 -21.127 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.651 27.283 -21.775 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.170 26.454 -22.265 1.00 0.00 H new ATOM 600 N TYR A 45 -7.090 24.808 -20.758 1.00 0.00 N ATOM 601 CA TYR A 45 -5.720 24.420 -20.442 1.00 0.00 C ATOM 602 C TYR A 45 -4.772 25.622 -20.345 1.00 0.00 C ATOM 603 O TYR A 45 -3.565 25.423 -20.454 1.00 0.00 O ATOM 604 CB TYR A 45 -5.227 23.398 -21.479 1.00 0.00 C ATOM 605 CG TYR A 45 -6.129 22.191 -21.664 1.00 0.00 C ATOM 606 CD1 TYR A 45 -6.496 21.408 -20.554 1.00 0.00 C ATOM 607 CD2 TYR A 45 -6.601 21.848 -22.946 1.00 0.00 C ATOM 608 CE1 TYR A 45 -7.340 20.296 -20.721 1.00 0.00 C ATOM 609 CE2 TYR A 45 -7.431 20.726 -23.115 1.00 0.00 C ATOM 610 CZ TYR A 45 -7.805 19.952 -22.002 1.00 0.00 C ATOM 611 OH TYR A 45 -8.616 18.866 -22.170 1.00 0.00 O ATOM 0 H TYR A 45 -7.326 24.725 -21.747 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.719 23.961 -19.454 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.116 23.901 -22.439 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.236 23.052 -21.184 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.128 21.662 -19.571 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.325 22.448 -23.801 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.631 19.706 -19.865 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.782 20.458 -24.101 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.071 18.052 -22.199 1.00 0.00 H new ATOM 621 N GLU A 46 -5.309 26.839 -20.132 1.00 0.00 N ATOM 622 CA GLU A 46 -4.595 28.108 -19.996 1.00 0.00 C ATOM 623 C GLU A 46 -3.331 28.151 -20.859 1.00 0.00 C ATOM 624 O GLU A 46 -3.421 28.423 -22.055 1.00 0.00 O ATOM 625 CB GLU A 46 -4.388 28.466 -18.510 1.00 0.00 C ATOM 626 CG GLU A 46 -4.043 27.283 -17.589 1.00 0.00 C ATOM 627 CD GLU A 46 -3.722 27.759 -16.173 1.00 0.00 C ATOM 628 OE1 GLU A 46 -4.519 28.568 -15.650 1.00 0.00 O ATOM 629 OE2 GLU A 46 -2.688 27.305 -15.636 1.00 0.00 O ATOM 0 H GLU A 46 -6.318 26.962 -20.046 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.216 28.908 -20.400 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.589 29.205 -18.439 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.296 28.941 -18.138 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.880 26.586 -17.560 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.190 26.740 -17.995 1.00 0.00 H new ATOM 636 N GLY A 47 -2.164 27.897 -20.254 1.00 0.00 N ATOM 637 CA GLY A 47 -0.877 27.862 -20.927 1.00 0.00 C ATOM 638 C GLY A 47 -0.026 26.706 -20.396 1.00 0.00 C ATOM 639 O GLY A 47 1.196 26.762 -20.518 1.00 0.00 O ATOM 0 H GLY A 47 -2.096 27.706 -19.254 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.025 27.749 -22.001 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.354 28.806 -20.774 1.00 0.00 H new ATOM 643 N PHE A 48 -0.655 25.666 -19.822 1.00 0.00 N ATOM 644 CA PHE A 48 0.039 24.511 -19.264 1.00 0.00 C ATOM 645 C PHE A 48 -0.867 23.279 -19.237 1.00 0.00 C ATOM 646 O PHE A 48 -2.083 23.403 -19.093 1.00 0.00 O ATOM 647 CB PHE A 48 0.561 24.839 -17.858 1.00 0.00 C ATOM 648 CG PHE A 48 1.998 24.411 -17.665 1.00 0.00 C ATOM 649 CD1 PHE A 48 3.030 25.231 -18.153 1.00 0.00 C ATOM 650 CD2 PHE A 48 2.311 23.202 -17.018 1.00 0.00 C ATOM 651 CE1 PHE A 48 4.369 24.848 -17.997 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.654 22.829 -16.840 1.00 0.00 C ATOM 653 CZ PHE A 48 4.680 23.655 -17.330 1.00 0.00 C ATOM 0 H PHE A 48 -1.670 25.611 -19.736 1.00 0.00 H new ATOM 0 HA PHE A 48 0.888 24.278 -19.906 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.477 25.912 -17.683 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.066 24.345 -17.116 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.790 26.159 -18.650 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.520 22.561 -16.658 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.159 25.470 -18.390 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.897 21.910 -16.328 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.712 23.369 -17.192 1.00 0.00 H new ATOM 663 N ASP A 49 -0.262 22.091 -19.365 1.00 0.00 N ATOM 664 CA ASP A 49 -0.975 20.820 -19.384 1.00 0.00 C ATOM 665 C ASP A 49 -0.095 19.669 -18.884 1.00 0.00 C ATOM 666 O ASP A 49 1.065 19.862 -18.523 1.00 0.00 O ATOM 667 CB ASP A 49 -1.509 20.555 -20.802 1.00 0.00 C ATOM 668 CG ASP A 49 -0.386 20.276 -21.799 1.00 0.00 C ATOM 669 OD1 ASP A 49 0.276 21.257 -22.205 1.00 0.00 O ATOM 670 OD2 ASP A 49 -0.209 19.085 -22.137 1.00 0.00 O ATOM 0 H ASP A 49 0.749 21.991 -19.459 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.819 20.880 -18.697 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.191 19.705 -20.779 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.085 21.417 -21.138 1.00 0.00 H new ATOM 675 N PHE A 50 -0.687 18.468 -18.872 1.00 0.00 N ATOM 676 CA PHE A 50 -0.111 17.200 -18.438 1.00 0.00 C ATOM 677 C PHE A 50 -0.598 16.133 -19.435 1.00 0.00 C ATOM 678 O PHE A 50 -1.529 16.412 -20.193 1.00 0.00 O ATOM 679 CB PHE A 50 -0.617 16.871 -17.018 1.00 0.00 C ATOM 680 CG PHE A 50 -0.655 18.031 -16.031 1.00 0.00 C ATOM 681 CD1 PHE A 50 -1.675 19.002 -16.112 1.00 0.00 C ATOM 682 CD2 PHE A 50 0.321 18.135 -15.023 1.00 0.00 C ATOM 683 CE1 PHE A 50 -1.722 20.065 -15.196 1.00 0.00 C ATOM 684 CE2 PHE A 50 0.273 19.200 -14.107 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.753 20.157 -14.186 1.00 0.00 C ATOM 0 H PHE A 50 -1.650 18.355 -19.189 1.00 0.00 H new ATOM 0 HA PHE A 50 0.978 17.239 -18.412 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.622 16.458 -17.100 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.016 16.088 -16.602 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.426 18.927 -16.885 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.106 17.397 -14.953 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.501 20.809 -15.269 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.028 19.283 -13.339 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.795 20.963 -13.469 1.00 0.00 H new ATOM 695 N PRO A 51 -0.003 14.925 -19.477 1.00 0.00 N ATOM 696 CA PRO A 51 -0.423 13.852 -20.374 1.00 0.00 C ATOM 697 C PRO A 51 -1.932 13.601 -20.295 1.00 0.00 C ATOM 698 O PRO A 51 -2.615 13.590 -21.317 1.00 0.00 O ATOM 699 CB PRO A 51 0.380 12.617 -19.952 1.00 0.00 C ATOM 700 CG PRO A 51 1.649 13.223 -19.358 1.00 0.00 C ATOM 701 CD PRO A 51 1.138 14.496 -18.684 1.00 0.00 C ATOM 0 HA PRO A 51 -0.231 14.112 -21.415 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.160 12.014 -19.222 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.600 11.969 -20.800 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.122 12.550 -18.643 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.390 13.443 -20.127 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.848 14.304 -17.651 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.911 15.265 -18.660 1.00 0.00 H new ATOM 709 N VAL A 52 -2.434 13.412 -19.068 1.00 0.00 N ATOM 710 CA VAL A 52 -3.841 13.183 -18.772 1.00 0.00 C ATOM 711 C VAL A 52 -4.574 14.526 -18.724 1.00 0.00 C ATOM 712 O VAL A 52 -3.975 15.545 -18.384 1.00 0.00 O ATOM 713 CB VAL A 52 -4.003 12.405 -17.453 1.00 0.00 C ATOM 714 CG1 VAL A 52 -3.684 10.921 -17.646 1.00 0.00 C ATOM 715 CG2 VAL A 52 -3.118 12.933 -16.314 1.00 0.00 C ATOM 0 H VAL A 52 -1.848 13.416 -18.233 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.281 12.573 -19.561 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.046 12.547 -17.170 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.807 10.396 -16.699 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.362 10.496 -18.386 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.656 10.812 -17.991 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.285 12.337 -15.417 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.070 12.864 -16.605 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.370 13.974 -16.110 1.00 0.00 H new ATOM 725 N ASP A 53 -5.875 14.516 -19.056 1.00 0.00 N ATOM 726 CA ASP A 53 -6.714 15.711 -19.085 1.00 0.00 C ATOM 727 C ASP A 53 -8.196 15.386 -19.315 1.00 0.00 C ATOM 728 O ASP A 53 -8.535 14.682 -20.264 1.00 0.00 O ATOM 729 CB ASP A 53 -6.212 16.720 -20.134 1.00 0.00 C ATOM 730 CG ASP A 53 -6.003 16.114 -21.520 1.00 0.00 C ATOM 731 OD1 ASP A 53 -6.990 16.084 -22.287 1.00 0.00 O ATOM 732 OD2 ASP A 53 -4.855 15.699 -21.793 1.00 0.00 O ATOM 0 H ASP A 53 -6.374 13.664 -19.314 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.635 16.167 -18.098 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.928 17.538 -20.209 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.271 17.150 -19.790 1.00 0.00 H new ATOM 737 N GLY A 54 -9.067 15.898 -18.430 1.00 0.00 N ATOM 738 CA GLY A 54 -10.520 15.755 -18.474 1.00 0.00 C ATOM 739 C GLY A 54 -11.060 14.339 -18.226 1.00 0.00 C ATOM 740 O GLY A 54 -10.799 13.456 -19.042 1.00 0.00 O ATOM 0 H GLY A 54 -8.756 16.448 -17.629 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.955 16.424 -17.732 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.870 16.091 -19.450 1.00 0.00 H new ATOM 744 N PRO A 55 -11.808 14.082 -17.132 1.00 0.00 N ATOM 745 CA PRO A 55 -12.160 15.002 -16.049 1.00 0.00 C ATOM 746 C PRO A 55 -10.894 15.459 -15.324 1.00 0.00 C ATOM 747 O PRO A 55 -9.934 14.694 -15.257 1.00 0.00 O ATOM 748 CB PRO A 55 -13.063 14.209 -15.101 1.00 0.00 C ATOM 749 CG PRO A 55 -13.572 13.049 -15.952 1.00 0.00 C ATOM 750 CD PRO A 55 -12.377 12.775 -16.860 1.00 0.00 C ATOM 0 HA PRO A 55 -12.664 15.894 -16.421 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.512 13.853 -14.231 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.885 14.821 -14.729 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.831 12.181 -15.346 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.462 13.319 -16.520 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -11.652 12.122 -16.373 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.685 12.279 -17.780 1.00 0.00 H new ATOM 758 N TYR A 56 -10.890 16.681 -14.772 1.00 0.00 N ATOM 759 CA TYR A 56 -9.705 17.213 -14.109 1.00 0.00 C ATOM 760 C TYR A 56 -10.020 18.240 -13.032 1.00 0.00 C ATOM 761 O TYR A 56 -11.010 18.957 -13.147 1.00 0.00 O ATOM 762 CB TYR A 56 -8.887 17.898 -15.205 1.00 0.00 C ATOM 763 CG TYR A 56 -7.420 17.579 -15.254 1.00 0.00 C ATOM 764 CD1 TYR A 56 -6.997 16.275 -15.561 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.474 18.585 -15.005 1.00 0.00 C ATOM 766 CE1 TYR A 56 -5.631 15.983 -15.632 1.00 0.00 C ATOM 767 CE2 TYR A 56 -5.109 18.295 -15.080 1.00 0.00 C ATOM 768 CZ TYR A 56 -4.695 16.999 -15.405 1.00 0.00 C ATOM 769 OH TYR A 56 -3.375 16.732 -15.489 1.00 0.00 O ATOM 0 H TYR A 56 -11.692 17.311 -14.775 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.183 16.396 -13.610 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -9.324 17.637 -16.169 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.997 18.976 -15.087 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.726 15.499 -15.742 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.801 19.584 -14.755 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.301 14.980 -15.860 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.378 19.067 -14.888 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.865 17.554 -15.336 1.00 0.00 H new ATOM 779 N GLN A 57 -9.151 18.308 -12.010 1.00 0.00 N ATOM 780 CA GLN A 57 -9.300 19.197 -10.866 1.00 0.00 C ATOM 781 C GLN A 57 -8.059 19.973 -10.463 1.00 0.00 C ATOM 782 O GLN A 57 -6.940 19.574 -10.760 1.00 0.00 O ATOM 783 CB GLN A 57 -9.642 18.343 -9.651 1.00 0.00 C ATOM 784 CG GLN A 57 -11.091 17.915 -9.636 1.00 0.00 C ATOM 785 CD GLN A 57 -11.991 19.141 -9.569 1.00 0.00 C ATOM 786 OE1 GLN A 57 -12.045 19.822 -8.551 1.00 0.00 O ATOM 787 NE2 GLN A 57 -12.694 19.428 -10.663 1.00 0.00 N ATOM 0 H GLN A 57 -8.311 17.731 -11.963 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.060 19.918 -11.169 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.005 17.459 -9.641 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -9.422 18.904 -8.743 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.317 17.335 -10.531 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.279 17.267 -8.780 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.618 18.833 -11.488 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.308 20.242 -10.676 1.00 0.00 H new ATOM 796 N GLU A 58 -8.323 21.082 -9.758 1.00 0.00 N ATOM 797 CA GLU A 58 -7.374 22.031 -9.209 1.00 0.00 C ATOM 798 C GLU A 58 -7.391 21.954 -7.686 1.00 0.00 C ATOM 799 O GLU A 58 -8.411 21.607 -7.095 1.00 0.00 O ATOM 800 CB GLU A 58 -7.807 23.453 -9.587 1.00 0.00 C ATOM 801 CG GLU A 58 -7.830 23.666 -11.101 1.00 0.00 C ATOM 802 CD GLU A 58 -8.183 25.111 -11.438 1.00 0.00 C ATOM 803 OE1 GLU A 58 -9.397 25.407 -11.477 1.00 0.00 O ATOM 804 OE2 GLU A 58 -7.232 25.896 -11.643 1.00 0.00 O ATOM 0 H GLU A 58 -9.284 21.350 -9.546 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.383 21.799 -9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.798 23.650 -9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.126 24.172 -9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.856 23.417 -11.523 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.557 22.993 -11.557 1.00 0.00 H new ATOM 811 N PHE A 59 -6.254 22.265 -7.058 1.00 0.00 N ATOM 812 CA PHE A 59 -6.104 22.294 -5.614 1.00 0.00 C ATOM 813 C PHE A 59 -4.868 23.142 -5.330 1.00 0.00 C ATOM 814 O PHE A 59 -3.762 22.715 -5.640 1.00 0.00 O ATOM 815 CB PHE A 59 -5.980 20.901 -5.007 1.00 0.00 C ATOM 816 CG PHE A 59 -6.022 21.018 -3.497 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.259 20.995 -2.830 1.00 0.00 C ATOM 818 CD2 PHE A 59 -4.833 21.170 -2.759 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.309 21.120 -1.432 1.00 0.00 C ATOM 820 CE2 PHE A 59 -4.885 21.298 -1.361 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.124 21.283 -0.700 1.00 0.00 C ATOM 0 H PHE A 59 -5.398 22.508 -7.557 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.994 22.721 -5.151 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.791 20.263 -5.358 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.047 20.434 -5.323 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.173 20.881 -3.394 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.880 21.188 -3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.260 21.091 -0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.972 21.408 -0.795 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.164 21.397 0.373 1.00 0.00 H new ATOM 831 N PRO A 60 -4.994 24.329 -4.732 1.00 0.00 N ATOM 832 CA PRO A 60 -3.851 25.175 -4.513 1.00 0.00 C ATOM 833 C PRO A 60 -3.070 24.736 -3.267 1.00 0.00 C ATOM 834 O PRO A 60 -3.697 24.442 -2.253 1.00 0.00 O ATOM 835 CB PRO A 60 -4.453 26.568 -4.452 1.00 0.00 C ATOM 836 CG PRO A 60 -5.764 26.327 -3.702 1.00 0.00 C ATOM 837 CD PRO A 60 -6.192 24.945 -4.206 1.00 0.00 C ATOM 0 HA PRO A 60 -3.091 25.127 -5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.805 27.268 -3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.624 26.981 -5.446 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.620 26.337 -2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.508 27.090 -3.932 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.616 24.348 -3.398 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.959 25.030 -4.976 1.00 0.00 H new ATOM 845 N ILE A 61 -1.725 24.673 -3.326 1.00 0.00 N ATOM 846 CA ILE A 61 -0.894 24.256 -2.201 1.00 0.00 C ATOM 847 C ILE A 61 -0.105 25.389 -1.596 1.00 0.00 C ATOM 848 O ILE A 61 -0.130 26.547 -2.009 1.00 0.00 O ATOM 849 CB ILE A 61 0.043 23.105 -2.591 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.726 22.203 -1.532 1.00 0.00 C ATOM 851 CG2 ILE A 61 0.978 23.484 -3.739 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.914 20.760 -2.019 1.00 0.00 C ATOM 0 H ILE A 61 -1.192 24.913 -4.162 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.586 23.904 -1.436 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.716 22.391 -2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.697 22.625 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.127 22.200 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.621 22.637 -3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.388 23.751 -4.616 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.592 24.334 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.397 20.172 -1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.058 20.325 -2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.537 20.756 -2.913 1.00 0.00 H new ATOM 864 N LYS A 62 0.577 24.922 -0.570 1.00 0.00 N ATOM 865 CA LYS A 62 1.501 25.637 0.299 1.00 0.00 C ATOM 866 C LYS A 62 2.408 24.669 1.060 1.00 0.00 C ATOM 867 O LYS A 62 2.017 23.534 1.330 1.00 0.00 O ATOM 868 CB LYS A 62 0.803 26.650 1.214 1.00 0.00 C ATOM 869 CG LYS A 62 -0.012 26.012 2.345 1.00 0.00 C ATOM 870 CD LYS A 62 -0.877 27.063 3.057 1.00 0.00 C ATOM 871 CE LYS A 62 -0.045 28.168 3.721 1.00 0.00 C ATOM 872 NZ LYS A 62 -0.906 29.176 4.359 1.00 0.00 N ATOM 0 H LYS A 62 0.494 23.943 -0.295 1.00 0.00 H new ATOM 0 HA LYS A 62 2.144 26.237 -0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.554 27.309 1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.143 27.273 0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.648 25.225 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.660 25.542 3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.561 27.513 2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.489 26.571 3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.618 27.729 4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.588 28.648 2.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.526 29.413 5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.933 30.033 3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.869 28.796 4.461 1.00 0.00 H new ATOM 886 N SER A 63 3.617 25.128 1.412 1.00 0.00 N ATOM 887 CA SER A 63 4.609 24.358 2.148 1.00 0.00 C ATOM 888 C SER A 63 4.335 24.511 3.645 1.00 0.00 C ATOM 889 O SER A 63 5.186 24.978 4.401 1.00 0.00 O ATOM 890 CB SER A 63 6.016 24.828 1.753 1.00 0.00 C ATOM 891 OG SER A 63 6.185 26.201 2.035 1.00 0.00 O ATOM 0 H SER A 63 3.933 26.071 1.183 1.00 0.00 H new ATOM 0 HA SER A 63 4.546 23.298 1.903 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.763 24.247 2.293 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.179 24.648 0.690 1.00 0.00 H new ATOM 0 HG SER A 63 6.040 26.359 2.991 1.00 0.00 H new ATOM 897 N GLY A 64 3.129 24.111 4.063 1.00 0.00 N ATOM 898 CA GLY A 64 2.682 24.195 5.438 1.00 0.00 C ATOM 899 C GLY A 64 1.245 23.700 5.541 1.00 0.00 C ATOM 900 O GLY A 64 0.326 24.495 5.731 1.00 0.00 O ATOM 0 H GLY A 64 2.431 23.714 3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.330 23.597 6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.749 25.224 5.790 1.00 0.00 H new ATOM 904 N GLY A 65 1.064 22.383 5.400 1.00 0.00 N ATOM 905 CA GLY A 65 -0.231 21.727 5.490 1.00 0.00 C ATOM 906 C GLY A 65 -0.956 21.696 4.147 1.00 0.00 C ATOM 907 O GLY A 65 -0.437 22.166 3.135 1.00 0.00 O ATOM 0 H GLY A 65 1.832 21.737 5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.096 20.708 5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.849 22.246 6.223 1.00 0.00 H new ATOM 911 N VAL A 66 -2.169 21.127 4.160 1.00 0.00 N ATOM 912 CA VAL A 66 -3.023 20.973 2.991 1.00 0.00 C ATOM 913 C VAL A 66 -3.869 22.234 2.793 1.00 0.00 C ATOM 914 O VAL A 66 -5.095 22.182 2.867 1.00 0.00 O ATOM 915 CB VAL A 66 -3.866 19.687 3.141 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.806 19.459 1.946 1.00 0.00 C ATOM 917 CG2 VAL A 66 -2.946 18.467 3.255 1.00 0.00 C ATOM 0 H VAL A 66 -2.588 20.753 5.011 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.424 20.859 2.088 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.468 19.813 4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.376 18.543 2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.492 20.302 1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.218 19.371 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.549 17.565 3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.331 18.390 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.302 18.577 4.128 1.00 0.00 H new ATOM 927 N TYR A 67 -3.202 23.373 2.550 1.00 0.00 N ATOM 928 CA TYR A 67 -3.822 24.672 2.306 1.00 0.00 C ATOM 929 C TYR A 67 -4.650 25.209 3.485 1.00 0.00 C ATOM 930 O TYR A 67 -5.076 24.466 4.368 1.00 0.00 O ATOM 931 CB TYR A 67 -4.590 24.626 0.969 1.00 0.00 C ATOM 932 CG TYR A 67 -5.752 25.588 0.814 1.00 0.00 C ATOM 933 CD1 TYR A 67 -7.013 25.247 1.341 1.00 0.00 C ATOM 934 CD2 TYR A 67 -5.581 26.817 0.152 1.00 0.00 C ATOM 935 CE1 TYR A 67 -8.095 26.133 1.218 1.00 0.00 C ATOM 936 CE2 TYR A 67 -6.668 27.698 0.014 1.00 0.00 C ATOM 937 CZ TYR A 67 -7.922 27.362 0.555 1.00 0.00 C ATOM 938 OH TYR A 67 -8.973 28.226 0.432 1.00 0.00 O ATOM 0 H TYR A 67 -2.183 23.410 2.518 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.027 25.413 2.219 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.881 24.817 0.163 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.967 23.613 0.828 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.148 24.300 1.842 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.615 27.084 -0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.058 25.872 1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.540 28.635 -0.508 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.683 29.028 -0.051 1.00 0.00 H new ATOM 948 N THR A 68 -4.860 26.532 3.488 1.00 0.00 N ATOM 949 CA THR A 68 -5.635 27.260 4.482 1.00 0.00 C ATOM 950 C THR A 68 -6.485 28.309 3.760 1.00 0.00 C ATOM 951 O THR A 68 -7.713 28.255 3.809 1.00 0.00 O ATOM 952 CB THR A 68 -4.724 27.899 5.545 1.00 0.00 C ATOM 953 OG1 THR A 68 -3.746 28.726 4.950 1.00 0.00 O ATOM 954 CG2 THR A 68 -4.027 26.849 6.415 1.00 0.00 C ATOM 0 H THR A 68 -4.476 27.142 2.766 1.00 0.00 H new ATOM 0 HA THR A 68 -6.289 26.570 5.015 1.00 0.00 H new ATOM 0 HB THR A 68 -5.373 28.501 6.181 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.399 29.355 5.617 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.395 27.347 7.150 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.776 26.247 6.929 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.413 26.205 5.786 1.00 0.00 H new ATOM 962 N GLY A 69 -5.823 29.255 3.083 1.00 0.00 N ATOM 963 CA GLY A 69 -6.452 30.343 2.352 1.00 0.00 C ATOM 964 C GLY A 69 -5.369 31.248 1.769 1.00 0.00 C ATOM 965 O GLY A 69 -4.371 30.759 1.242 1.00 0.00 O ATOM 0 H GLY A 69 -4.805 29.278 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.079 29.946 1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.102 30.914 3.015 1.00 0.00 H new ATOM 969 N GLY A 70 -5.578 32.568 1.860 1.00 0.00 N ATOM 970 CA GLY A 70 -4.646 33.575 1.379 1.00 0.00 C ATOM 971 C GLY A 70 -4.805 33.878 -0.110 1.00 0.00 C ATOM 972 O GLY A 70 -5.495 33.164 -0.838 1.00 0.00 O ATOM 0 H GLY A 70 -6.419 32.965 2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.788 34.494 1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.627 33.238 1.568 1.00 0.00 H new ATOM 976 N SER A 71 -4.142 34.954 -0.550 1.00 0.00 N ATOM 977 CA SER A 71 -4.123 35.442 -1.925 1.00 0.00 C ATOM 978 C SER A 71 -3.243 34.529 -2.801 1.00 0.00 C ATOM 979 O SER A 71 -2.612 33.615 -2.268 1.00 0.00 O ATOM 980 CB SER A 71 -3.608 36.890 -1.890 1.00 0.00 C ATOM 981 OG SER A 71 -4.321 37.646 -0.932 1.00 0.00 O ATOM 0 H SER A 71 -3.580 35.531 0.075 1.00 0.00 H new ATOM 0 HA SER A 71 -5.119 35.425 -2.367 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.545 36.898 -1.650 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.716 37.345 -2.875 1.00 0.00 H new ATOM 0 HG SER A 71 -3.980 38.565 -0.921 1.00 0.00 H new ATOM 987 N PRO A 72 -3.176 34.735 -4.133 1.00 0.00 N ATOM 988 CA PRO A 72 -2.339 33.942 -5.032 1.00 0.00 C ATOM 989 C PRO A 72 -0.854 33.988 -4.656 1.00 0.00 C ATOM 990 O PRO A 72 -0.447 34.785 -3.811 1.00 0.00 O ATOM 991 CB PRO A 72 -2.565 34.514 -6.438 1.00 0.00 C ATOM 992 CG PRO A 72 -3.918 35.213 -6.334 1.00 0.00 C ATOM 993 CD PRO A 72 -3.907 35.732 -4.898 1.00 0.00 C ATOM 0 HA PRO A 72 -2.616 32.890 -4.970 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.775 35.211 -6.718 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.578 33.727 -7.192 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.014 36.022 -7.058 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.745 34.526 -6.512 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.423 36.707 -4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.921 35.854 -4.517 1.00 0.00 H new ATOM 1001 N GLY A 73 -0.034 33.143 -5.293 1.00 0.00 N ATOM 1002 CA GLY A 73 1.381 33.058 -5.040 1.00 0.00 C ATOM 1003 C GLY A 73 1.957 32.565 -6.350 1.00 0.00 C ATOM 1004 O GLY A 73 2.627 33.336 -7.034 1.00 0.00 O ATOM 0 H GLY A 73 -0.357 32.493 -6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.796 34.027 -4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.600 32.370 -4.223 1.00 0.00 H new ATOM 1008 N ALA A 74 1.667 31.293 -6.681 1.00 0.00 N ATOM 1009 CA ALA A 74 2.139 30.635 -7.889 1.00 0.00 C ATOM 1010 C ALA A 74 1.852 29.131 -7.911 1.00 0.00 C ATOM 1011 O ALA A 74 1.325 28.626 -8.898 1.00 0.00 O ATOM 1012 CB ALA A 74 3.644 30.822 -7.977 1.00 0.00 C ATOM 0 H ALA A 74 1.086 30.692 -6.097 1.00 0.00 H new ATOM 0 HA ALA A 74 1.609 31.085 -8.728 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.019 30.335 -8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.877 31.886 -8.016 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.118 30.379 -7.101 1.00 0.00 H new ATOM 1018 N ASP A 75 2.218 28.442 -6.820 1.00 0.00 N ATOM 1019 CA ASP A 75 2.129 27.002 -6.586 1.00 0.00 C ATOM 1020 C ASP A 75 0.760 26.355 -6.297 1.00 0.00 C ATOM 1021 O ASP A 75 0.131 26.586 -5.260 1.00 0.00 O ATOM 1022 CB ASP A 75 3.141 26.641 -5.487 1.00 0.00 C ATOM 1023 CG ASP A 75 2.950 27.457 -4.207 1.00 0.00 C ATOM 1024 OD1 ASP A 75 3.410 28.620 -4.195 1.00 0.00 O ATOM 1025 OD2 ASP A 75 2.352 26.908 -3.259 1.00 0.00 O ATOM 0 H ASP A 75 2.617 28.923 -6.014 1.00 0.00 H new ATOM 0 HA ASP A 75 2.351 26.568 -7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.051 25.580 -5.252 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.151 26.799 -5.865 1.00 0.00 H new ATOM 1030 N ARG A 76 0.310 25.510 -7.239 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.935 24.763 -7.135 1.00 0.00 C ATOM 1032 C ARG A 76 -0.776 23.370 -7.738 1.00 0.00 C ATOM 1033 O ARG A 76 -0.232 23.215 -8.831 1.00 0.00 O ATOM 1034 CB ARG A 76 -2.155 25.500 -7.705 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.108 25.878 -9.184 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.527 25.828 -9.756 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.551 26.286 -11.150 1.00 0.00 N ATOM 1038 CZ ARG A 76 -4.325 27.258 -11.664 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -5.192 27.958 -10.917 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.216 27.540 -12.967 1.00 0.00 N ATOM 0 H ARG A 76 0.817 25.330 -8.106 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.144 24.661 -6.070 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.034 24.876 -7.543 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.300 26.412 -7.127 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.689 26.877 -9.304 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.458 25.192 -9.728 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.910 24.809 -9.698 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.187 26.452 -9.154 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.915 25.819 -11.796 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.282 27.760 -9.920 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.761 28.688 -11.346 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.556 27.022 -13.547 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.792 28.273 -13.380 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.248 22.358 -6.997 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.222 20.966 -7.413 1.00 0.00 C ATOM 1056 C VAL A 77 -2.535 20.706 -8.146 1.00 0.00 C ATOM 1057 O VAL A 77 -3.567 21.279 -7.811 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.942 20.007 -6.251 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.454 20.267 -5.681 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.969 20.050 -5.119 1.00 0.00 C ATOM 0 H VAL A 77 -1.664 22.496 -6.076 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.389 20.772 -8.089 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.012 19.008 -6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.644 19.581 -4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.200 20.112 -6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.514 21.294 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.686 19.338 -4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.002 21.054 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.952 19.789 -5.510 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.502 19.830 -9.148 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.665 19.538 -9.976 1.00 0.00 C ATOM 1072 C VAL A 78 -3.805 18.010 -10.132 1.00 0.00 C ATOM 1073 O VAL A 78 -2.872 17.330 -10.571 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.491 20.404 -11.244 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.591 20.261 -12.297 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.417 21.904 -10.845 1.00 0.00 C ATOM 0 H VAL A 78 -1.667 19.304 -9.407 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.634 19.810 -9.558 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.571 20.039 -11.700 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.371 20.911 -13.144 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.637 19.226 -12.637 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.550 20.543 -11.862 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.294 22.513 -11.741 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.336 22.190 -10.334 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.568 22.062 -10.180 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.991 17.494 -9.747 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.361 16.076 -9.735 1.00 0.00 C ATOM 1088 C ILE A 79 -6.322 15.647 -10.854 1.00 0.00 C ATOM 1089 O ILE A 79 -6.678 16.430 -11.734 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.960 15.710 -8.341 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.483 15.910 -8.183 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -5.341 16.506 -7.185 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -8.087 15.098 -7.030 1.00 0.00 C ATOM 0 H ILE A 79 -5.750 18.092 -9.421 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.441 15.524 -9.925 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.721 14.648 -8.296 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.688 16.968 -8.019 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.977 15.630 -9.113 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.803 16.202 -6.246 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.269 16.312 -7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.510 17.571 -7.345 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.159 15.285 -6.976 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.912 14.036 -7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.619 15.395 -6.092 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.723 14.368 -10.768 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.662 13.644 -11.616 1.00 0.00 C ATOM 1107 C ASN A 80 -8.869 13.350 -10.715 1.00 0.00 C ATOM 1108 O ASN A 80 -8.693 13.095 -9.523 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.043 12.340 -12.122 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.804 12.603 -12.971 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -4.678 12.530 -12.480 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -6.018 12.912 -14.252 1.00 0.00 N ATOM 0 H ASN A 80 -6.359 13.765 -10.030 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.938 14.221 -12.499 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.777 11.709 -11.274 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.778 11.791 -12.710 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.229 13.100 -14.870 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.971 12.960 -14.613 1.00 0.00 H new ATOM 1119 N THR A 81 -10.089 13.363 -11.267 1.00 0.00 N ATOM 1120 CA THR A 81 -11.313 13.159 -10.494 1.00 0.00 C ATOM 1121 C THR A 81 -11.535 11.877 -9.717 1.00 0.00 C ATOM 1122 O THR A 81 -12.400 11.877 -8.838 1.00 0.00 O ATOM 1123 CB THR A 81 -12.554 13.558 -11.302 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.615 13.907 -10.437 1.00 0.00 O ATOM 1125 CG2 THR A 81 -13.006 12.381 -12.167 1.00 0.00 C ATOM 0 H THR A 81 -10.251 13.516 -12.262 1.00 0.00 H new ATOM 0 HA THR A 81 -11.132 13.842 -9.664 1.00 0.00 H new ATOM 0 HB THR A 81 -12.295 14.412 -11.928 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.580 13.346 -9.634 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.888 12.668 -12.740 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.204 12.103 -12.851 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.249 11.532 -11.528 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.797 10.801 -9.988 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.016 9.604 -9.210 1.00 0.00 C ATOM 1135 C ASN A 82 -10.261 9.875 -7.914 1.00 0.00 C ATOM 1136 O ASN A 82 -10.846 10.210 -6.889 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.516 8.370 -9.980 1.00 0.00 C ATOM 1138 CG ASN A 82 -10.423 7.133 -9.087 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -11.337 6.848 -8.316 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -9.309 6.399 -9.184 1.00 0.00 N ATOM 0 H ASN A 82 -10.077 10.740 -10.708 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.064 9.384 -9.006 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -11.189 8.166 -10.813 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.536 8.583 -10.407 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -9.194 5.567 -8.605 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.574 6.671 -9.837 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.946 9.726 -8.006 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.995 9.899 -6.920 1.00 0.00 C ATOM 1149 C CYS A 83 -6.539 10.058 -7.367 1.00 0.00 C ATOM 1150 O CYS A 83 -5.680 10.286 -6.517 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.154 8.799 -5.859 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.985 9.365 -4.140 1.00 0.00 S ATOM 0 H CYS A 83 -8.494 9.469 -8.883 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.248 10.856 -6.464 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.134 8.337 -5.980 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.411 8.024 -6.046 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.243 9.955 -8.672 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.880 10.027 -9.176 1.00 0.00 C ATOM 1159 C GLU A 84 -4.399 11.467 -9.253 1.00 0.00 C ATOM 1160 O GLU A 84 -5.206 12.391 -9.330 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.805 9.348 -10.550 1.00 0.00 C ATOM 1162 CG GLU A 84 -5.190 7.866 -10.477 1.00 0.00 C ATOM 1163 CD GLU A 84 -5.210 7.242 -11.868 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -6.252 7.392 -12.544 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -4.182 6.631 -12.235 1.00 0.00 O ATOM 0 H GLU A 84 -6.946 9.820 -9.399 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.221 9.502 -8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.469 9.862 -11.245 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.794 9.441 -10.946 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.481 7.332 -9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.171 7.763 -10.013 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.071 11.639 -9.219 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.418 12.930 -9.264 1.00 0.00 C ATOM 1174 C TYR A 85 -1.711 13.131 -10.602 1.00 0.00 C ATOM 1175 O TYR A 85 -1.006 12.233 -11.062 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.428 13.020 -8.094 1.00 0.00 C ATOM 1177 CG TYR A 85 -0.695 14.340 -8.029 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -1.427 15.529 -8.180 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.701 14.402 -7.831 1.00 0.00 C ATOM 1180 CE1 TYR A 85 -0.780 16.764 -8.140 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.345 15.644 -7.792 1.00 0.00 C ATOM 1182 CZ TYR A 85 0.605 16.823 -7.943 1.00 0.00 C ATOM 1183 OH TYR A 85 1.231 18.024 -7.888 1.00 0.00 O ATOM 0 H TYR A 85 -2.416 10.859 -9.158 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.160 13.723 -9.170 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.967 12.865 -7.159 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.701 12.213 -8.180 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.496 15.487 -8.328 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.271 13.493 -7.710 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -1.347 17.675 -8.261 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.414 15.693 -7.645 1.00 0.00 H new ATOM 0 HH TYR A 85 1.725 18.097 -7.045 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.892 14.307 -11.223 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.253 14.621 -12.493 1.00 0.00 C ATOM 1195 C ALA A 86 0.107 15.265 -12.249 1.00 0.00 C ATOM 1196 O ALA A 86 1.128 14.675 -12.602 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.149 15.502 -13.342 1.00 0.00 C ATOM 0 H ALA A 86 -2.481 15.055 -10.857 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.092 13.697 -13.047 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.652 15.724 -14.286 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.087 14.984 -13.539 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.353 16.432 -12.812 1.00 0.00 H new ATOM 1203 N GLY A 87 0.138 16.460 -11.644 1.00 0.00 N ATOM 1204 CA GLY A 87 1.411 17.119 -11.401 1.00 0.00 C ATOM 1205 C GLY A 87 1.262 18.496 -10.766 1.00 0.00 C ATOM 1206 O GLY A 87 0.165 19.049 -10.687 1.00 0.00 O ATOM 0 H GLY A 87 -0.684 16.972 -11.324 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.020 16.490 -10.751 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.948 17.217 -12.344 1.00 0.00 H new ATOM 1210 N ALA A 88 2.404 19.025 -10.307 1.00 0.00 N ATOM 1211 CA ALA A 88 2.529 20.314 -9.649 1.00 0.00 C ATOM 1212 C ALA A 88 3.048 21.347 -10.641 1.00 0.00 C ATOM 1213 O ALA A 88 4.076 21.134 -11.283 1.00 0.00 O ATOM 1214 CB ALA A 88 3.488 20.197 -8.464 1.00 0.00 C ATOM 0 H ALA A 88 3.297 18.540 -10.392 1.00 0.00 H new ATOM 0 HA ALA A 88 1.552 20.631 -9.284 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.579 21.166 -7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.102 19.465 -7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.467 19.876 -8.819 1.00 0.00 H new ATOM 1220 N ILE A 89 2.325 22.466 -10.745 1.00 0.00 N ATOM 1221 CA ILE A 89 2.649 23.581 -11.619 1.00 0.00 C ATOM 1222 C ILE A 89 2.831 24.826 -10.750 1.00 0.00 C ATOM 1223 O ILE A 89 2.263 24.900 -9.658 1.00 0.00 O ATOM 1224 CB ILE A 89 1.575 23.721 -12.711 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.156 23.845 -12.116 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.677 22.509 -13.640 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.928 24.186 -13.146 1.00 0.00 C ATOM 0 H ILE A 89 1.474 22.619 -10.204 1.00 0.00 H new ATOM 0 HA ILE A 89 3.584 23.420 -12.155 1.00 0.00 H new ATOM 0 HB ILE A 89 1.752 24.640 -13.270 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.105 22.906 -11.628 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.163 24.615 -11.344 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.923 22.587 -14.424 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.669 22.479 -14.092 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.512 21.597 -13.067 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.895 24.255 -12.647 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.694 25.140 -13.618 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.966 23.405 -13.906 1.00 0.00 H new ATOM 1239 N THR A 90 3.612 25.807 -11.228 1.00 0.00 N ATOM 1240 CA THR A 90 3.872 27.015 -10.456 1.00 0.00 C ATOM 1241 C THR A 90 4.326 28.229 -11.269 1.00 0.00 C ATOM 1242 O THR A 90 5.160 28.072 -12.155 1.00 0.00 O ATOM 1243 CB THR A 90 4.971 26.688 -9.418 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.106 27.748 -8.496 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.344 26.422 -10.066 1.00 0.00 C ATOM 0 H THR A 90 4.068 25.781 -12.140 1.00 0.00 H new ATOM 0 HA THR A 90 2.920 27.299 -10.008 1.00 0.00 H new ATOM 0 HB THR A 90 4.653 25.776 -8.912 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.803 27.527 -7.844 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.076 26.198 -9.290 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.267 25.575 -10.747 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.662 27.305 -10.620 1.00 0.00 H new ATOM 1253 N HIS A 91 3.767 29.424 -10.989 1.00 0.00 N ATOM 1254 CA HIS A 91 4.210 30.673 -11.633 1.00 0.00 C ATOM 1255 C HIS A 91 5.025 31.527 -10.655 1.00 0.00 C ATOM 1256 O HIS A 91 4.736 32.707 -10.460 1.00 0.00 O ATOM 1257 CB HIS A 91 3.110 31.476 -12.342 1.00 0.00 C ATOM 1258 CG HIS A 91 1.827 31.654 -11.604 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.321 32.863 -11.162 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.912 30.719 -11.236 1.00 0.00 C ATOM 1261 CE1 HIS A 91 0.146 32.598 -10.566 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.164 31.297 -10.574 1.00 0.00 N ATOM 0 H HIS A 91 3.007 29.548 -10.320 1.00 0.00 H new ATOM 0 HA HIS A 91 4.858 30.363 -12.452 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.507 32.464 -12.576 1.00 0.00 H new ATOM 0 HB3 HIS A 91 2.891 30.988 -13.291 1.00 0.00 H new ATOM 0 HD1 HIS A 91 1.756 33.779 -11.268 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.009 29.662 -11.433 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.483 33.357 -10.126 1.00 0.00 H new ATOM 1270 N THR A 92 6.059 30.918 -10.051 1.00 0.00 N ATOM 1271 CA THR A 92 6.932 31.541 -9.061 1.00 0.00 C ATOM 1272 C THR A 92 7.683 32.772 -9.566 1.00 0.00 C ATOM 1273 O THR A 92 7.690 33.807 -8.901 1.00 0.00 O ATOM 1274 CB THR A 92 7.825 30.497 -8.377 1.00 0.00 C ATOM 1275 OG1 THR A 92 8.506 31.084 -7.287 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.841 29.890 -9.336 1.00 0.00 C ATOM 0 H THR A 92 6.312 29.950 -10.249 1.00 0.00 H new ATOM 0 HA THR A 92 6.281 31.954 -8.290 1.00 0.00 H new ATOM 0 HB THR A 92 7.173 29.696 -8.028 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.073 30.411 -6.855 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.449 29.157 -8.806 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.318 29.401 -10.158 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.483 30.677 -9.731 1.00 0.00 H new ATOM 1284 N GLY A 93 8.301 32.659 -10.741 1.00 0.00 N ATOM 1285 CA GLY A 93 9.065 33.738 -11.346 1.00 0.00 C ATOM 1286 C GLY A 93 9.446 33.406 -12.783 1.00 0.00 C ATOM 1287 O GLY A 93 10.576 33.660 -13.198 1.00 0.00 O ATOM 0 H GLY A 93 8.282 31.807 -11.301 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.480 34.657 -11.326 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.966 33.921 -10.761 1.00 0.00 H new ATOM 1291 N ALA A 94 8.495 32.841 -13.536 1.00 0.00 N ATOM 1292 CA ALA A 94 8.661 32.470 -14.932 1.00 0.00 C ATOM 1293 C ALA A 94 8.218 33.625 -15.827 1.00 0.00 C ATOM 1294 O ALA A 94 8.858 33.917 -16.835 1.00 0.00 O ATOM 1295 CB ALA A 94 7.848 31.206 -15.219 1.00 0.00 C ATOM 0 H ALA A 94 7.566 32.626 -13.174 1.00 0.00 H new ATOM 0 HA ALA A 94 9.710 32.262 -15.141 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.970 30.925 -16.265 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.200 30.395 -14.582 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.794 31.397 -15.015 1.00 0.00 H new ATOM 1301 N SER A 95 7.120 34.277 -15.434 1.00 0.00 N ATOM 1302 CA SER A 95 6.515 35.397 -16.135 1.00 0.00 C ATOM 1303 C SER A 95 5.764 36.284 -15.144 1.00 0.00 C ATOM 1304 O SER A 95 5.981 37.494 -15.107 1.00 0.00 O ATOM 1305 CB SER A 95 5.560 34.856 -17.202 1.00 0.00 C ATOM 1306 OG SER A 95 4.964 35.917 -17.918 1.00 0.00 O ATOM 0 H SER A 95 6.614 34.024 -14.585 1.00 0.00 H new ATOM 0 HA SER A 95 7.288 35.998 -16.615 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.103 34.206 -17.888 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.787 34.248 -16.732 1.00 0.00 H new ATOM 0 HG SER A 95 5.057 35.755 -18.880 1.00 0.00 H new ATOM 1312 N GLY A 96 4.885 35.669 -14.340 1.00 0.00 N ATOM 1313 CA GLY A 96 4.060 36.339 -13.348 1.00 0.00 C ATOM 1314 C GLY A 96 2.734 35.595 -13.188 1.00 0.00 C ATOM 1315 O GLY A 96 2.213 35.501 -12.077 1.00 0.00 O ATOM 0 H GLY A 96 4.731 34.661 -14.370 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.583 36.377 -12.393 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.875 37.369 -13.652 1.00 0.00 H new ATOM 1319 N ASN A 97 2.198 35.084 -14.306 1.00 0.00 N ATOM 1320 CA ASN A 97 0.954 34.330 -14.386 1.00 0.00 C ATOM 1321 C ASN A 97 1.198 32.989 -15.079 1.00 0.00 C ATOM 1322 O ASN A 97 0.648 31.976 -14.650 1.00 0.00 O ATOM 1323 CB ASN A 97 -0.099 35.150 -15.139 1.00 0.00 C ATOM 1324 CG ASN A 97 -0.382 36.477 -14.438 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -0.001 37.535 -14.933 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -1.045 36.419 -13.280 1.00 0.00 N ATOM 0 H ASN A 97 2.646 35.194 -15.216 1.00 0.00 H new ATOM 0 HA ASN A 97 0.585 34.131 -13.380 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.245 35.341 -16.155 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.022 34.575 -15.218 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.254 37.276 -12.769 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.342 35.517 -12.907 1.00 0.00 H new ATOM 1333 N ASN A 98 2.013 32.980 -16.147 1.00 0.00 N ATOM 1334 CA ASN A 98 2.337 31.769 -16.889 1.00 0.00 C ATOM 1335 C ASN A 98 3.110 30.808 -15.987 1.00 0.00 C ATOM 1336 O ASN A 98 4.155 31.155 -15.441 1.00 0.00 O ATOM 1337 CB ASN A 98 3.119 32.081 -18.169 1.00 0.00 C ATOM 1338 CG ASN A 98 2.344 33.020 -19.091 1.00 0.00 C ATOM 1339 OD1 ASN A 98 1.464 32.578 -19.827 1.00 0.00 O ATOM 1340 ND2 ASN A 98 2.668 34.315 -19.057 1.00 0.00 N ATOM 0 H ASN A 98 2.462 33.819 -16.514 1.00 0.00 H new ATOM 0 HA ASN A 98 1.407 31.293 -17.199 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.076 32.534 -17.909 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.339 31.153 -18.696 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.179 34.979 -19.657 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.405 34.640 -18.431 1.00 0.00 H new ATOM 1347 N PHE A 99 2.574 29.592 -15.860 1.00 0.00 N ATOM 1348 CA PHE A 99 3.094 28.511 -15.043 1.00 0.00 C ATOM 1349 C PHE A 99 4.261 27.784 -15.724 1.00 0.00 C ATOM 1350 O PHE A 99 4.466 27.901 -16.932 1.00 0.00 O ATOM 1351 CB PHE A 99 1.958 27.488 -14.892 1.00 0.00 C ATOM 1352 CG PHE A 99 0.857 27.865 -13.919 1.00 0.00 C ATOM 1353 CD1 PHE A 99 -0.144 28.796 -14.255 1.00 0.00 C ATOM 1354 CD2 PHE A 99 0.837 27.254 -12.658 1.00 0.00 C ATOM 1355 CE1 PHE A 99 -1.139 29.123 -13.313 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -0.150 27.569 -11.722 1.00 0.00 C ATOM 1357 CZ PHE A 99 -1.137 28.511 -12.046 1.00 0.00 C ATOM 0 H PHE A 99 1.721 29.329 -16.353 1.00 0.00 H new ATOM 0 HA PHE A 99 3.445 28.922 -14.097 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.510 27.323 -15.872 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.389 26.539 -14.574 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.149 29.258 -15.231 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.596 26.529 -12.406 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.904 29.844 -13.563 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.153 27.090 -10.754 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.897 28.767 -11.322 1.00 0.00 H new ATOM 1367 N VAL A 100 5.021 27.039 -14.911 1.00 0.00 N ATOM 1368 CA VAL A 100 6.150 26.194 -15.268 1.00 0.00 C ATOM 1369 C VAL A 100 5.984 24.906 -14.460 1.00 0.00 C ATOM 1370 O VAL A 100 5.224 24.864 -13.494 1.00 0.00 O ATOM 1371 CB VAL A 100 7.532 26.846 -15.099 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.764 27.890 -16.194 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.766 27.435 -13.710 1.00 0.00 C ATOM 0 H VAL A 100 4.841 27.015 -13.907 1.00 0.00 H new ATOM 0 HA VAL A 100 6.133 25.996 -16.340 1.00 0.00 H new ATOM 0 HB VAL A 100 8.268 26.049 -15.204 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.746 28.344 -16.062 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.714 27.410 -17.171 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.997 28.661 -16.130 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.761 27.877 -13.665 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.018 28.202 -13.510 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.686 26.646 -12.962 1.00 0.00 H new ATOM 1383 N GLY A 101 6.706 23.857 -14.851 1.00 0.00 N ATOM 1384 CA GLY A 101 6.622 22.554 -14.215 1.00 0.00 C ATOM 1385 C GLY A 101 7.550 22.418 -13.015 1.00 0.00 C ATOM 1386 O GLY A 101 8.697 22.862 -13.061 1.00 0.00 O ATOM 0 H GLY A 101 7.369 23.893 -15.625 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.595 22.377 -13.895 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.866 21.783 -14.945 1.00 0.00 H new ATOM 1390 N CYS A 102 7.041 21.804 -11.939 1.00 0.00 N ATOM 1391 CA CYS A 102 7.793 21.555 -10.718 1.00 0.00 C ATOM 1392 C CYS A 102 8.641 20.294 -10.924 1.00 0.00 C ATOM 1393 O CYS A 102 8.714 19.777 -12.041 1.00 0.00 O ATOM 1394 CB CYS A 102 6.844 21.517 -9.518 1.00 0.00 C ATOM 1395 SG CYS A 102 5.805 23.006 -9.351 1.00 0.00 S ATOM 0 H CYS A 102 6.080 21.464 -11.899 1.00 0.00 H new ATOM 0 HA CYS A 102 8.490 22.362 -10.492 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.198 20.643 -9.605 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.430 21.391 -8.608 1.00 0.00 H new ATOM 1400 N SER A 103 9.278 19.776 -9.866 1.00 0.00 N ATOM 1401 CA SER A 103 10.134 18.600 -10.025 1.00 0.00 C ATOM 1402 C SER A 103 9.304 17.338 -10.266 1.00 0.00 C ATOM 1403 O SER A 103 8.439 16.989 -9.467 1.00 0.00 O ATOM 1404 CB SER A 103 11.159 18.458 -8.893 1.00 0.00 C ATOM 1405 OG SER A 103 10.622 17.817 -7.763 1.00 0.00 O ATOM 0 H SER A 103 9.219 20.143 -8.916 1.00 0.00 H new ATOM 0 HA SER A 103 10.733 18.749 -10.924 1.00 0.00 H new ATOM 0 HB2 SER A 103 12.019 17.894 -9.254 1.00 0.00 H new ATOM 0 HB3 SER A 103 11.522 19.446 -8.609 1.00 0.00 H new ATOM 0 HG SER A 103 11.343 17.604 -7.134 1.00 0.00 H new ATOM 1411 N GLY A 104 9.572 16.659 -11.388 1.00 0.00 N ATOM 1412 CA GLY A 104 8.869 15.453 -11.788 1.00 0.00 C ATOM 1413 C GLY A 104 7.502 15.797 -12.379 1.00 0.00 C ATOM 1414 O GLY A 104 6.531 15.084 -12.134 1.00 0.00 O ATOM 0 H GLY A 104 10.296 16.944 -12.048 1.00 0.00 H new ATOM 0 HA2 GLY A 104 9.461 14.907 -12.522 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.744 14.796 -10.927 1.00 0.00 H new ATOM 1418 N THR A 105 7.433 16.895 -13.146 1.00 0.00 N ATOM 1419 CA THR A 105 6.231 17.376 -13.811 1.00 0.00 C ATOM 1420 C THR A 105 6.643 18.075 -15.105 1.00 0.00 C ATOM 1421 O THR A 105 7.495 18.963 -15.083 1.00 0.00 O ATOM 1422 CB THR A 105 5.445 18.340 -12.907 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.031 17.684 -11.727 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.212 18.872 -13.649 1.00 0.00 C ATOM 0 H THR A 105 8.245 17.487 -13.321 1.00 0.00 H new ATOM 0 HA THR A 105 5.577 16.532 -14.032 1.00 0.00 H new ATOM 0 HB THR A 105 6.099 19.171 -12.644 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.280 18.224 -10.948 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.663 19.554 -13.000 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.529 19.402 -14.547 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.568 18.038 -13.928 1.00 0.00 H new ATOM 1432 N ASN A 106 6.029 17.671 -16.222 1.00 0.00 N ATOM 1433 CA ASN A 106 6.283 18.231 -17.539 1.00 0.00 C ATOM 1434 C ASN A 106 5.484 19.527 -17.693 1.00 0.00 C ATOM 1435 O ASN A 106 6.122 20.595 -17.565 1.00 0.00 O ATOM 1436 CB ASN A 106 5.906 17.193 -18.606 1.00 0.00 C ATOM 1437 CG ASN A 106 6.156 17.687 -20.031 1.00 0.00 C ATOM 1438 OD1 ASN A 106 7.076 18.465 -20.275 1.00 0.00 O ATOM 1439 ND2 ASN A 106 5.333 17.230 -20.979 1.00 0.00 N ATOM 1440 OXT ASN A 106 4.237 19.428 -17.699 1.00 0.00 O ATOM 0 H ASN A 106 5.328 16.930 -16.228 1.00 0.00 H new ATOM 0 HA ASN A 106 7.339 18.471 -17.663 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.479 16.281 -18.437 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.853 16.933 -18.497 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.456 17.526 -21.947 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.581 16.585 -20.734 1.00 0.00 H new