USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1017 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 100 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0.116 USER MOD Set 1.3: A 111 ASN : amide:sc= 0.117 X(o=0.23,f=-0.025) USER MOD Set 1.4: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 94 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 99 LYS NZ :NH3+ -146:sc=-0.000223 (180deg=-0.982) USER MOD Set 3.1: A 81 THR OG1 : rot 145:sc= 0.896 USER MOD Set 3.2: A 93 THR OG1 : rot 76:sc= 0.00478 USER MOD Set 4.1: A 19 MET CE :methyl -171:sc= 0 (180deg=-0.032) USER MOD Set 4.2: A 74 MET CE :methyl -118:sc= 0 (180deg=0) USER MOD Set 5.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0.05) USER MOD Set 5.2: A 64 THR OG1 : rot 170:sc= 0 USER MOD Set 6.1: A 51 THR OG1 : rot 180:sc= -0.102 USER MOD Set 6.2: A 60 GLN : amide:sc= 0 X(o=-0.1,f=-0.1) USER MOD Single : A 2 SER OG : rot -29:sc= 0.0518 USER MOD Single : A 4 SER OG : rot 34:sc= 0.192 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 170:sc= 0.00956 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 10 GLN : amide:sc= 0.57 K(o=0.57,f=-4.2!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.0409 X(o=0.041,f=0.17) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0604) USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= 0.11 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0567 K(o=-0.057,f=0.65) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 54:sc= 0.203 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= -0.0715 (180deg=-0.49) USER MOD Single : A 61 ASN : amide:sc= 0.46 K(o=0.46,f=-0.55) USER MOD Single : A 69 CYS SG : rot 76:sc= 1.26 USER MOD Single : A 73 THR OG1 : rot -9:sc= 1.02 USER MOD Single : A 75 THR OG1 : rot 111:sc= 0.36 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 158:sc= 0.0238 (180deg=0) USER MOD Single : A 84 GLN : amide:sc=-0.00379 X(o=-0.0038,f=-0.0038) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 9.316 -9.963 12.903 1.00 0.00 N ATOM 2 CA SER A 2 8.899 -10.245 14.284 1.00 0.00 C ATOM 3 C SER A 2 8.376 -8.940 14.929 1.00 0.00 C ATOM 4 O SER A 2 9.146 -8.015 15.217 1.00 0.00 O ATOM 5 CB SER A 2 10.046 -10.885 15.094 1.00 0.00 C ATOM 6 OG SER A 2 10.390 -12.164 14.573 1.00 0.00 O ATOM 0 HA SER A 2 8.089 -10.975 14.281 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.919 -10.233 15.071 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.748 -10.982 16.138 1.00 0.00 H new ATOM 0 HG SER A 2 9.600 -12.573 14.162 1.00 0.00 H new ATOM 12 N PHE A 3 7.052 -8.883 15.148 1.00 0.00 N ATOM 13 CA PHE A 3 6.355 -7.658 15.637 1.00 0.00 C ATOM 14 C PHE A 3 6.459 -7.319 17.158 1.00 0.00 C ATOM 15 O PHE A 3 6.031 -6.221 17.523 1.00 0.00 O ATOM 16 CB PHE A 3 4.862 -7.728 15.206 1.00 0.00 C ATOM 17 CG PHE A 3 4.576 -7.505 13.709 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.607 -6.209 13.181 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.258 -8.578 12.872 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.324 -5.992 11.834 1.00 0.00 C ATOM 21 CE2 PHE A 3 3.970 -8.358 11.530 1.00 0.00 C ATOM 22 CZ PHE A 3 4.004 -7.066 11.011 1.00 0.00 C ATOM 0 H PHE A 3 6.428 -9.675 14.995 1.00 0.00 H new ATOM 0 HA PHE A 3 6.895 -6.835 15.169 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.469 -8.705 15.488 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.305 -6.984 15.776 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.851 -5.374 13.820 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.236 -9.582 13.269 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.353 -4.991 11.430 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.719 -9.190 10.889 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.781 -6.898 9.968 1.00 0.00 H new ATOM 32 N SER A 4 7.026 -8.175 18.039 1.00 0.00 N ATOM 33 CA SER A 4 7.187 -7.867 19.481 1.00 0.00 C ATOM 34 C SER A 4 8.225 -6.732 19.735 1.00 0.00 C ATOM 35 O SER A 4 9.422 -6.897 19.473 1.00 0.00 O ATOM 36 CB SER A 4 7.544 -9.172 20.226 1.00 0.00 C ATOM 37 OG SER A 4 8.798 -9.718 19.823 1.00 0.00 O ATOM 0 H SER A 4 7.383 -9.093 17.774 1.00 0.00 H new ATOM 0 HA SER A 4 6.246 -7.480 19.871 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.566 -8.977 21.298 1.00 0.00 H new ATOM 0 HB3 SER A 4 6.760 -9.909 20.052 1.00 0.00 H new ATOM 0 HG SER A 4 9.418 -8.990 19.608 1.00 0.00 H new ATOM 43 N GLY A 5 7.735 -5.577 20.214 1.00 0.00 N ATOM 44 CA GLY A 5 8.583 -4.393 20.450 1.00 0.00 C ATOM 45 C GLY A 5 7.797 -3.081 20.657 1.00 0.00 C ATOM 46 O GLY A 5 6.644 -2.930 20.239 1.00 0.00 O ATOM 0 H GLY A 5 6.752 -5.436 20.447 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.203 -4.574 21.328 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.258 -4.269 19.603 1.00 0.00 H new ATOM 50 N LYS A 6 8.493 -2.102 21.255 1.00 0.00 N ATOM 51 CA LYS A 6 8.017 -0.689 21.339 1.00 0.00 C ATOM 52 C LYS A 6 8.375 0.065 20.029 1.00 0.00 C ATOM 53 O LYS A 6 9.512 -0.042 19.563 1.00 0.00 O ATOM 54 CB LYS A 6 8.699 0.039 22.527 1.00 0.00 C ATOM 55 CG LYS A 6 8.264 -0.415 23.938 1.00 0.00 C ATOM 56 CD LYS A 6 8.951 0.349 25.088 1.00 0.00 C ATOM 57 CE LYS A 6 10.461 0.070 25.236 1.00 0.00 C ATOM 58 NZ LYS A 6 11.031 0.771 26.399 1.00 0.00 N ATOM 0 H LYS A 6 9.400 -2.254 21.696 1.00 0.00 H new ATOM 0 HA LYS A 6 6.937 -0.698 21.485 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.777 -0.096 22.440 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.503 1.107 22.434 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.185 -0.293 24.030 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.475 -1.479 24.046 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.806 1.418 24.933 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.455 0.093 26.024 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.625 -1.003 25.341 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.980 0.385 24.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.047 0.561 26.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.897 1.796 26.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.552 0.452 27.265 1.00 0.00 H new ATOM 72 N TYR A 7 7.421 0.824 19.457 1.00 0.00 N ATOM 73 CA TYR A 7 7.636 1.552 18.172 1.00 0.00 C ATOM 74 C TYR A 7 7.179 3.022 18.359 1.00 0.00 C ATOM 75 O TYR A 7 5.986 3.329 18.280 1.00 0.00 O ATOM 76 CB TYR A 7 6.917 0.889 16.961 1.00 0.00 C ATOM 77 CG TYR A 7 7.286 -0.574 16.651 1.00 0.00 C ATOM 78 CD1 TYR A 7 8.334 -0.885 15.779 1.00 0.00 C ATOM 79 CD2 TYR A 7 6.548 -1.611 17.231 1.00 0.00 C ATOM 80 CE1 TYR A 7 8.652 -2.214 15.509 1.00 0.00 C ATOM 81 CE2 TYR A 7 6.879 -2.936 16.975 1.00 0.00 C ATOM 82 CZ TYR A 7 7.932 -3.240 16.121 1.00 0.00 C ATOM 83 OH TYR A 7 8.272 -4.549 15.901 1.00 0.00 O ATOM 0 H TYR A 7 6.492 0.955 19.857 1.00 0.00 H new ATOM 0 HA TYR A 7 8.698 1.512 17.932 1.00 0.00 H new ATOM 0 HB2 TYR A 7 5.842 0.939 17.135 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.124 1.487 16.074 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.899 -0.091 15.313 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.717 -1.381 17.881 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.455 -2.450 14.827 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.316 -3.731 17.441 1.00 0.00 H new ATOM 0 HH TYR A 7 7.778 -5.124 16.522 1.00 0.00 H new ATOM 93 N GLN A 8 8.149 3.930 18.581 1.00 0.00 N ATOM 94 CA GLN A 8 7.882 5.387 18.710 1.00 0.00 C ATOM 95 C GLN A 8 7.697 6.038 17.314 1.00 0.00 C ATOM 96 O GLN A 8 8.485 5.810 16.391 1.00 0.00 O ATOM 97 CB GLN A 8 9.044 6.053 19.496 1.00 0.00 C ATOM 98 CG GLN A 8 8.939 7.566 19.812 1.00 0.00 C ATOM 99 CD GLN A 8 7.762 7.974 20.720 1.00 0.00 C ATOM 100 OE1 GLN A 8 6.599 7.927 20.323 1.00 0.00 O ATOM 101 NE2 GLN A 8 8.031 8.404 21.943 1.00 0.00 N ATOM 0 H GLN A 8 9.134 3.683 18.676 1.00 0.00 H new ATOM 0 HA GLN A 8 6.954 5.538 19.261 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.154 5.522 20.441 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.963 5.893 18.932 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.868 7.886 20.285 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.856 8.111 18.872 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.997 8.442 22.269 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.273 8.697 22.559 1.00 0.00 H new ATOM 110 N LEU A 9 6.666 6.889 17.211 1.00 0.00 N ATOM 111 CA LEU A 9 6.355 7.648 15.977 1.00 0.00 C ATOM 112 C LEU A 9 7.357 8.815 15.737 1.00 0.00 C ATOM 113 O LEU A 9 7.645 9.610 16.637 1.00 0.00 O ATOM 114 CB LEU A 9 4.879 8.125 16.093 1.00 0.00 C ATOM 115 CG LEU A 9 4.253 8.874 14.883 1.00 0.00 C ATOM 116 CD1 LEU A 9 4.282 8.053 13.578 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.810 9.291 15.228 1.00 0.00 C ATOM 0 H LEU A 9 6.020 7.075 17.978 1.00 0.00 H new ATOM 0 HA LEU A 9 6.466 7.013 15.098 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.262 7.251 16.299 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.807 8.778 16.963 1.00 0.00 H new ATOM 0 HG LEU A 9 4.864 9.757 14.698 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.830 8.633 12.773 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.314 7.817 13.320 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.722 7.128 13.717 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.370 9.816 14.380 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.218 8.403 15.451 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.819 9.949 16.097 1.00 0.00 H new ATOM 129 N GLN A 10 7.858 8.908 14.495 1.00 0.00 N ATOM 130 CA GLN A 10 8.682 10.060 14.031 1.00 0.00 C ATOM 131 C GLN A 10 7.819 10.998 13.142 1.00 0.00 C ATOM 132 O GLN A 10 7.589 12.143 13.541 1.00 0.00 O ATOM 133 CB GLN A 10 10.005 9.610 13.341 1.00 0.00 C ATOM 134 CG GLN A 10 11.145 9.140 14.278 1.00 0.00 C ATOM 135 CD GLN A 10 10.914 7.790 14.976 1.00 0.00 C ATOM 136 OE1 GLN A 10 10.396 6.849 14.378 1.00 0.00 O ATOM 137 NE2 GLN A 10 11.287 7.663 16.240 1.00 0.00 N ATOM 0 H GLN A 10 7.710 8.196 13.780 1.00 0.00 H new ATOM 0 HA GLN A 10 9.004 10.628 14.904 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.772 8.798 12.652 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.377 10.440 12.741 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.066 9.076 13.698 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.301 9.902 15.042 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.716 8.450 16.727 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.146 6.778 16.727 1.00 0.00 H new ATOM 146 N SER A 11 7.364 10.533 11.957 1.00 0.00 N ATOM 147 CA SER A 11 6.606 11.371 10.993 1.00 0.00 C ATOM 148 C SER A 11 5.307 10.630 10.594 1.00 0.00 C ATOM 149 O SER A 11 5.344 9.468 10.177 1.00 0.00 O ATOM 150 CB SER A 11 7.497 11.661 9.764 1.00 0.00 C ATOM 151 OG SER A 11 6.839 12.542 8.860 1.00 0.00 O ATOM 0 H SER A 11 7.509 9.574 11.641 1.00 0.00 H new ATOM 0 HA SER A 11 6.330 12.324 11.443 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.439 12.103 10.088 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.740 10.727 9.257 1.00 0.00 H new ATOM 0 HG SER A 11 7.420 12.714 8.090 1.00 0.00 H new ATOM 157 N GLN A 12 4.169 11.337 10.694 1.00 0.00 N ATOM 158 CA GLN A 12 2.853 10.834 10.224 1.00 0.00 C ATOM 159 C GLN A 12 2.345 11.726 9.057 1.00 0.00 C ATOM 160 O GLN A 12 2.114 12.930 9.215 1.00 0.00 O ATOM 161 CB GLN A 12 1.836 10.648 11.386 1.00 0.00 C ATOM 162 CG GLN A 12 1.180 11.869 12.065 1.00 0.00 C ATOM 163 CD GLN A 12 2.105 12.845 12.815 1.00 0.00 C ATOM 164 OE1 GLN A 12 2.735 13.715 12.214 1.00 0.00 O ATOM 165 NE2 GLN A 12 2.193 12.741 14.132 1.00 0.00 N ATOM 0 H GLN A 12 4.128 12.272 11.101 1.00 0.00 H new ATOM 0 HA GLN A 12 2.973 9.826 9.827 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.029 10.020 11.008 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.342 10.081 12.167 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.645 12.432 11.300 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.435 11.502 12.771 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.668 12.017 14.623 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.786 13.385 14.656 1.00 0.00 H new ATOM 174 N GLU A 13 2.151 11.095 7.889 1.00 0.00 N ATOM 175 CA GLU A 13 1.468 11.705 6.721 1.00 0.00 C ATOM 176 C GLU A 13 -0.067 11.615 6.945 1.00 0.00 C ATOM 177 O GLU A 13 -0.598 10.510 7.065 1.00 0.00 O ATOM 178 CB GLU A 13 1.917 10.907 5.464 1.00 0.00 C ATOM 179 CG GLU A 13 1.360 11.405 4.112 1.00 0.00 C ATOM 180 CD GLU A 13 1.734 10.479 2.950 1.00 0.00 C ATOM 181 OE1 GLU A 13 1.097 9.414 2.796 1.00 0.00 O ATOM 182 OE2 GLU A 13 2.668 10.813 2.186 1.00 0.00 O ATOM 0 H GLU A 13 2.464 10.139 7.720 1.00 0.00 H new ATOM 0 HA GLU A 13 1.724 12.756 6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.006 10.926 5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.622 9.866 5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.275 11.483 4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.741 12.407 3.912 1.00 0.00 H new ATOM 189 N ASN A 14 -0.767 12.765 6.989 1.00 0.00 N ATOM 190 CA ASN A 14 -2.260 12.829 7.079 1.00 0.00 C ATOM 191 C ASN A 14 -2.873 12.228 8.385 1.00 0.00 C ATOM 192 O ASN A 14 -3.661 11.279 8.323 1.00 0.00 O ATOM 193 CB ASN A 14 -2.965 12.282 5.791 1.00 0.00 C ATOM 194 CG ASN A 14 -2.749 13.072 4.485 1.00 0.00 C ATOM 195 OD1 ASN A 14 -2.912 14.291 4.437 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.419 12.395 3.395 1.00 0.00 N ATOM 0 H ASN A 14 -0.324 13.683 6.964 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.473 13.896 7.143 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.626 11.259 5.628 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.037 12.235 5.985 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.298 12.884 2.508 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.286 11.385 3.443 1.00 0.00 H new ATOM 203 N PHE A 15 -2.581 12.824 9.561 1.00 0.00 N ATOM 204 CA PHE A 15 -3.362 12.556 10.802 1.00 0.00 C ATOM 205 C PHE A 15 -4.729 13.300 10.774 1.00 0.00 C ATOM 206 O PHE A 15 -5.761 12.633 10.819 1.00 0.00 O ATOM 207 CB PHE A 15 -2.525 12.843 12.084 1.00 0.00 C ATOM 208 CG PHE A 15 -3.184 12.408 13.412 1.00 0.00 C ATOM 209 CD1 PHE A 15 -4.065 13.271 14.075 1.00 0.00 C ATOM 210 CD2 PHE A 15 -2.944 11.137 13.948 1.00 0.00 C ATOM 211 CE1 PHE A 15 -4.715 12.862 15.235 1.00 0.00 C ATOM 212 CE2 PHE A 15 -3.588 10.732 15.116 1.00 0.00 C ATOM 213 CZ PHE A 15 -4.477 11.593 15.756 1.00 0.00 C ATOM 0 H PHE A 15 -1.818 13.490 9.684 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.593 11.491 10.837 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.564 12.337 11.991 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.319 13.912 12.132 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.241 14.262 13.683 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.256 10.467 13.454 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.404 13.529 15.731 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.398 9.751 15.525 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.982 11.276 16.657 1.00 0.00 H new ATOM 223 N GLU A 16 -4.747 14.649 10.727 1.00 0.00 N ATOM 224 CA GLU A 16 -6.003 15.443 10.881 1.00 0.00 C ATOM 225 C GLU A 16 -7.004 15.348 9.683 1.00 0.00 C ATOM 226 O GLU A 16 -8.215 15.334 9.928 1.00 0.00 O ATOM 227 CB GLU A 16 -5.706 16.916 11.274 1.00 0.00 C ATOM 228 CG GLU A 16 -4.895 17.099 12.581 1.00 0.00 C ATOM 229 CD GLU A 16 -4.881 18.534 13.113 1.00 0.00 C ATOM 230 OE1 GLU A 16 -4.185 19.392 12.526 1.00 0.00 O ATOM 231 OE2 GLU A 16 -5.560 18.809 14.126 1.00 0.00 O ATOM 0 H GLU A 16 -3.912 15.218 10.584 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.529 14.965 11.708 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.161 17.390 10.458 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.653 17.446 11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.308 16.443 13.347 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.868 16.778 12.407 1.00 0.00 H new ATOM 238 N ALA A 17 -6.525 15.229 8.424 1.00 0.00 N ATOM 239 CA ALA A 17 -7.372 14.846 7.262 1.00 0.00 C ATOM 240 C ALA A 17 -8.020 13.427 7.339 1.00 0.00 C ATOM 241 O ALA A 17 -9.222 13.315 7.086 1.00 0.00 O ATOM 242 CB ALA A 17 -6.549 15.003 5.967 1.00 0.00 C ATOM 0 H ALA A 17 -5.548 15.394 8.182 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.224 15.526 7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.162 14.724 5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.229 16.040 5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.673 14.356 6.012 1.00 0.00 H new ATOM 248 N PHE A 18 -7.255 12.372 7.697 1.00 0.00 N ATOM 249 CA PHE A 18 -7.791 10.992 7.889 1.00 0.00 C ATOM 250 C PHE A 18 -8.778 10.851 9.087 1.00 0.00 C ATOM 251 O PHE A 18 -9.852 10.274 8.912 1.00 0.00 O ATOM 252 CB PHE A 18 -6.596 10.001 8.005 1.00 0.00 C ATOM 253 CG PHE A 18 -6.963 8.506 8.088 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.140 7.747 6.926 1.00 0.00 C ATOM 255 CD2 PHE A 18 -7.101 7.889 9.339 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.446 6.392 7.017 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.418 6.538 9.423 1.00 0.00 C ATOM 258 CZ PHE A 18 -7.591 5.791 8.262 1.00 0.00 C ATOM 0 H PHE A 18 -6.251 12.445 7.862 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.395 10.750 7.014 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.944 10.147 7.144 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.018 10.262 8.891 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.039 8.213 5.957 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.960 8.466 10.241 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.571 5.806 6.118 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.530 6.068 10.389 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.839 4.742 8.328 1.00 0.00 H new ATOM 268 N MET A 19 -8.389 11.333 10.282 1.00 0.00 N ATOM 269 CA MET A 19 -9.198 11.224 11.525 1.00 0.00 C ATOM 270 C MET A 19 -10.561 11.979 11.492 1.00 0.00 C ATOM 271 O MET A 19 -11.569 11.409 11.916 1.00 0.00 O ATOM 272 CB MET A 19 -8.335 11.638 12.744 1.00 0.00 C ATOM 273 CG MET A 19 -7.158 10.704 13.084 1.00 0.00 C ATOM 274 SD MET A 19 -7.702 8.998 13.307 1.00 0.00 S ATOM 275 CE MET A 19 -6.097 8.181 13.366 1.00 0.00 C ATOM 0 H MET A 19 -7.500 11.813 10.420 1.00 0.00 H new ATOM 0 HA MET A 19 -9.485 10.176 11.615 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.940 12.637 12.562 1.00 0.00 H new ATOM 0 HB3 MET A 19 -8.984 11.706 13.617 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.416 10.748 12.286 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.669 11.052 13.994 1.00 0.00 H new ATOM 0 HE1 MET A 19 -6.238 7.100 13.340 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.500 8.490 12.508 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.581 8.458 14.286 1.00 0.00 H new ATOM 285 N LYS A 20 -10.608 13.210 10.942 1.00 0.00 N ATOM 286 CA LYS A 20 -11.884 13.895 10.594 1.00 0.00 C ATOM 287 C LYS A 20 -12.736 13.177 9.491 1.00 0.00 C ATOM 288 O LYS A 20 -13.959 13.100 9.644 1.00 0.00 O ATOM 289 CB LYS A 20 -11.542 15.365 10.229 1.00 0.00 C ATOM 290 CG LYS A 20 -12.759 16.309 10.166 1.00 0.00 C ATOM 291 CD LYS A 20 -12.376 17.774 9.863 1.00 0.00 C ATOM 292 CE LYS A 20 -13.566 18.753 9.818 1.00 0.00 C ATOM 293 NZ LYS A 20 -14.459 18.540 8.661 1.00 0.00 N ATOM 0 H LYS A 20 -9.775 13.758 10.726 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.541 13.859 11.463 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.835 15.753 10.962 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.038 15.378 9.263 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.447 15.954 9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -13.292 16.268 11.116 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.670 18.115 10.620 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.857 17.809 8.905 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.144 18.653 10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.186 19.774 9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.237 19.230 8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.921 18.663 7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.849 17.577 8.696 1.00 0.00 H new ATOM 307 N ALA A 21 -12.109 12.654 8.412 1.00 0.00 N ATOM 308 CA ALA A 21 -12.817 11.910 7.332 1.00 0.00 C ATOM 309 C ALA A 21 -13.473 10.552 7.723 1.00 0.00 C ATOM 310 O ALA A 21 -14.574 10.268 7.242 1.00 0.00 O ATOM 311 CB ALA A 21 -11.863 11.735 6.135 1.00 0.00 C ATOM 0 H ALA A 21 -11.103 12.733 8.261 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.677 12.530 7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.373 11.191 5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.558 12.714 5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.983 11.175 6.450 1.00 0.00 H new ATOM 317 N ILE A 22 -12.842 9.741 8.601 1.00 0.00 N ATOM 318 CA ILE A 22 -13.492 8.549 9.230 1.00 0.00 C ATOM 319 C ILE A 22 -14.682 8.921 10.184 1.00 0.00 C ATOM 320 O ILE A 22 -15.745 8.300 10.082 1.00 0.00 O ATOM 321 CB ILE A 22 -12.458 7.545 9.865 1.00 0.00 C ATOM 322 CG1 ILE A 22 -11.679 8.102 11.096 1.00 0.00 C ATOM 323 CG2 ILE A 22 -11.503 6.957 8.794 1.00 0.00 C ATOM 324 CD1 ILE A 22 -10.723 7.138 11.815 1.00 0.00 C ATOM 0 H ILE A 22 -11.877 9.884 8.897 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.954 7.999 8.410 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.064 6.733 10.267 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.103 8.967 10.768 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.408 8.461 11.823 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.804 6.269 9.269 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.084 6.423 8.042 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.949 7.766 8.317 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.248 7.652 12.650 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.283 6.281 12.188 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.959 6.796 11.117 1.00 0.00 H new ATOM 336 N GLY A 23 -14.508 9.924 11.070 1.00 0.00 N ATOM 337 CA GLY A 23 -15.577 10.430 11.960 1.00 0.00 C ATOM 338 C GLY A 23 -15.138 10.558 13.432 1.00 0.00 C ATOM 339 O GLY A 23 -15.679 9.855 14.289 1.00 0.00 O ATOM 0 H GLY A 23 -13.618 10.409 11.189 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.907 11.405 11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.435 9.761 11.901 1.00 0.00 H new ATOM 343 N LEU A 24 -14.200 11.480 13.721 1.00 0.00 N ATOM 344 CA LEU A 24 -13.785 11.825 15.111 1.00 0.00 C ATOM 345 C LEU A 24 -14.098 13.330 15.435 1.00 0.00 C ATOM 346 O LEU A 24 -14.010 14.166 14.528 1.00 0.00 O ATOM 347 CB LEU A 24 -12.262 11.570 15.326 1.00 0.00 C ATOM 348 CG LEU A 24 -11.807 10.120 15.651 1.00 0.00 C ATOM 349 CD1 LEU A 24 -10.266 10.052 15.626 1.00 0.00 C ATOM 350 CD2 LEU A 24 -12.320 9.627 17.019 1.00 0.00 C ATOM 0 H LEU A 24 -13.704 12.011 13.005 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.355 11.182 15.782 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.739 11.891 14.425 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.926 12.216 16.137 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.236 9.467 14.891 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.943 9.036 15.854 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.905 10.335 14.637 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.859 10.737 16.370 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.972 8.609 17.193 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.942 10.279 17.806 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.410 9.644 17.026 1.00 0.00 H new ATOM 362 N PRO A 25 -14.382 13.741 16.713 1.00 0.00 N ATOM 363 CA PRO A 25 -14.498 15.177 17.098 1.00 0.00 C ATOM 364 C PRO A 25 -13.145 15.957 17.087 1.00 0.00 C ATOM 365 O PRO A 25 -12.070 15.363 16.956 1.00 0.00 O ATOM 366 CB PRO A 25 -15.103 15.061 18.516 1.00 0.00 C ATOM 367 CG PRO A 25 -14.578 13.743 19.084 1.00 0.00 C ATOM 368 CD PRO A 25 -14.511 12.822 17.867 1.00 0.00 C ATOM 0 HA PRO A 25 -15.094 15.758 16.395 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.803 15.903 19.140 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.192 15.065 18.478 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.598 13.868 19.545 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.243 13.345 19.851 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.661 12.142 17.930 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.407 12.206 17.786 1.00 0.00 H new ATOM 376 N GLU A 26 -13.210 17.287 17.305 1.00 0.00 N ATOM 377 CA GLU A 26 -11.998 18.108 17.610 1.00 0.00 C ATOM 378 C GLU A 26 -11.662 18.097 19.147 1.00 0.00 C ATOM 379 O GLU A 26 -11.501 19.134 19.797 1.00 0.00 O ATOM 380 CB GLU A 26 -12.208 19.520 16.992 1.00 0.00 C ATOM 381 CG GLU A 26 -10.917 20.357 16.865 1.00 0.00 C ATOM 382 CD GLU A 26 -11.140 21.710 16.188 1.00 0.00 C ATOM 383 OE1 GLU A 26 -11.469 22.691 16.891 1.00 0.00 O ATOM 384 OE2 GLU A 26 -10.985 21.799 14.950 1.00 0.00 O ATOM 0 H GLU A 26 -14.078 17.821 17.278 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.106 17.680 17.152 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.653 19.408 16.003 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.924 20.069 17.604 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.498 20.520 17.858 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.179 19.791 16.297 1.00 0.00 H new ATOM 391 N GLU A 27 -11.533 16.875 19.690 1.00 0.00 N ATOM 392 CA GLU A 27 -11.192 16.591 21.104 1.00 0.00 C ATOM 393 C GLU A 27 -10.141 15.440 21.084 1.00 0.00 C ATOM 394 O GLU A 27 -8.975 15.695 21.393 1.00 0.00 O ATOM 395 CB GLU A 27 -12.500 16.309 21.899 1.00 0.00 C ATOM 396 CG GLU A 27 -12.294 16.054 23.404 1.00 0.00 C ATOM 397 CD GLU A 27 -13.608 15.780 24.140 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.056 14.612 24.166 1.00 0.00 O ATOM 399 OE2 GLU A 27 -14.200 16.733 24.696 1.00 0.00 O ATOM 0 H GLU A 27 -11.667 16.025 19.142 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.735 17.430 21.630 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.174 17.157 21.777 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.996 15.442 21.462 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.624 15.205 23.536 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.805 16.919 23.852 1.00 0.00 H new ATOM 406 N LEU A 28 -10.527 14.209 20.668 1.00 0.00 N ATOM 407 CA LEU A 28 -9.575 13.093 20.380 1.00 0.00 C ATOM 408 C LEU A 28 -8.556 13.334 19.216 1.00 0.00 C ATOM 409 O LEU A 28 -7.431 12.834 19.306 1.00 0.00 O ATOM 410 CB LEU A 28 -10.365 11.775 20.135 1.00 0.00 C ATOM 411 CG LEU A 28 -11.192 11.203 21.325 1.00 0.00 C ATOM 412 CD1 LEU A 28 -12.078 10.033 20.856 1.00 0.00 C ATOM 413 CD2 LEU A 28 -10.318 10.759 22.517 1.00 0.00 C ATOM 0 H LEU A 28 -11.504 13.956 20.521 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.953 13.026 21.272 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.046 11.941 19.300 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.655 11.010 19.820 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.820 12.020 21.681 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.648 9.647 21.701 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.764 10.383 20.085 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.449 9.241 20.450 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.956 10.371 23.311 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.628 9.980 22.192 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.752 11.612 22.891 1.00 0.00 H new ATOM 425 N ILE A 29 -8.903 14.123 18.171 1.00 0.00 N ATOM 426 CA ILE A 29 -7.911 14.682 17.196 1.00 0.00 C ATOM 427 C ILE A 29 -6.836 15.581 17.907 1.00 0.00 C ATOM 428 O ILE A 29 -5.642 15.367 17.687 1.00 0.00 O ATOM 429 CB ILE A 29 -8.615 15.397 15.979 1.00 0.00 C ATOM 430 CG1 ILE A 29 -9.543 14.439 15.169 1.00 0.00 C ATOM 431 CG2 ILE A 29 -7.602 16.054 15.000 1.00 0.00 C ATOM 432 CD1 ILE A 29 -10.467 15.100 14.132 1.00 0.00 C ATOM 0 H ILE A 29 -9.867 14.393 17.973 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.365 13.841 16.769 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.224 16.177 16.436 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.917 13.711 14.654 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.162 13.885 15.875 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.143 16.531 14.183 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.015 16.803 15.532 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.937 15.290 14.598 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.062 14.334 13.634 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.130 15.806 14.633 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.865 15.629 13.393 1.00 0.00 H new ATOM 444 N GLN A 30 -7.255 16.550 18.747 1.00 0.00 N ATOM 445 CA GLN A 30 -6.330 17.452 19.493 1.00 0.00 C ATOM 446 C GLN A 30 -5.385 16.808 20.559 1.00 0.00 C ATOM 447 O GLN A 30 -4.363 17.423 20.880 1.00 0.00 O ATOM 448 CB GLN A 30 -7.131 18.626 20.130 1.00 0.00 C ATOM 449 CG GLN A 30 -8.001 19.505 19.195 1.00 0.00 C ATOM 450 CD GLN A 30 -7.228 20.279 18.113 1.00 0.00 C ATOM 451 OE1 GLN A 30 -6.608 21.306 18.381 1.00 0.00 O ATOM 452 NE2 GLN A 30 -7.251 19.809 16.874 1.00 0.00 N ATOM 0 H GLN A 30 -8.241 16.735 18.932 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.639 17.795 18.723 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.783 18.208 20.897 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.420 19.279 20.637 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.738 18.868 18.706 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.553 20.220 19.805 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.768 18.956 16.662 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.751 20.300 16.133 1.00 0.00 H new ATOM 461 N LYS A 31 -5.662 15.587 21.068 1.00 0.00 N ATOM 462 CA LYS A 31 -4.681 14.796 21.862 1.00 0.00 C ATOM 463 C LYS A 31 -3.430 14.378 21.029 1.00 0.00 C ATOM 464 O LYS A 31 -2.320 14.768 21.399 1.00 0.00 O ATOM 465 CB LYS A 31 -5.365 13.567 22.533 1.00 0.00 C ATOM 466 CG LYS A 31 -6.024 13.801 23.908 1.00 0.00 C ATOM 467 CD LYS A 31 -7.332 14.611 23.903 1.00 0.00 C ATOM 468 CE LYS A 31 -7.942 14.751 25.309 1.00 0.00 C ATOM 469 NZ LYS A 31 -9.185 15.540 25.278 1.00 0.00 N ATOM 0 H LYS A 31 -6.561 15.121 20.945 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.313 15.449 22.653 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.127 13.188 21.851 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.618 12.781 22.644 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.223 12.831 24.362 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.306 14.312 24.550 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.140 15.603 23.493 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.053 14.127 23.244 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.147 13.762 25.719 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.222 15.229 25.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.435 15.833 26.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.046 16.384 24.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.953 14.962 24.882 1.00 0.00 H new ATOM 483 N GLY A 32 -3.599 13.622 19.928 1.00 0.00 N ATOM 484 CA GLY A 32 -2.460 13.194 19.077 1.00 0.00 C ATOM 485 C GLY A 32 -2.291 13.923 17.725 1.00 0.00 C ATOM 486 O GLY A 32 -1.935 13.260 16.748 1.00 0.00 O ATOM 0 H GLY A 32 -4.508 13.293 19.603 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.541 13.321 19.649 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.566 12.128 18.878 1.00 0.00 H new ATOM 490 N LYS A 33 -2.479 15.259 17.661 1.00 0.00 N ATOM 491 CA LYS A 33 -2.340 16.047 16.399 1.00 0.00 C ATOM 492 C LYS A 33 -0.889 16.054 15.828 1.00 0.00 C ATOM 493 O LYS A 33 -0.678 15.545 14.721 1.00 0.00 O ATOM 494 CB LYS A 33 -3.023 17.441 16.490 1.00 0.00 C ATOM 495 CG LYS A 33 -2.588 18.400 17.625 1.00 0.00 C ATOM 496 CD LYS A 33 -3.304 19.766 17.551 1.00 0.00 C ATOM 497 CE LYS A 33 -2.948 20.751 18.682 1.00 0.00 C ATOM 498 NZ LYS A 33 -3.535 20.379 19.985 1.00 0.00 N ATOM 0 H LYS A 33 -2.730 15.826 18.471 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.907 15.515 15.635 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.860 17.953 15.542 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.097 17.279 16.585 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.797 17.936 18.589 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.510 18.555 17.573 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.066 20.233 16.595 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.381 19.596 17.563 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.864 20.803 18.781 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.292 21.748 18.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.891 20.664 20.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.449 20.861 20.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.679 19.350 20.020 1.00 0.00 H new ATOM 512 N ASP A 34 0.105 16.534 16.602 1.00 0.00 N ATOM 513 CA ASP A 34 1.517 16.098 16.435 1.00 0.00 C ATOM 514 C ASP A 34 2.151 15.937 17.846 1.00 0.00 C ATOM 515 O ASP A 34 2.971 16.750 18.286 1.00 0.00 O ATOM 516 CB ASP A 34 2.277 17.048 15.470 1.00 0.00 C ATOM 517 CG ASP A 34 3.661 16.543 15.037 1.00 0.00 C ATOM 518 OD1 ASP A 34 3.739 15.713 14.105 1.00 0.00 O ATOM 519 OD2 ASP A 34 4.677 16.974 15.627 1.00 0.00 O ATOM 0 H ASP A 34 -0.036 17.219 17.345 1.00 0.00 H new ATOM 0 HA ASP A 34 1.581 15.123 15.951 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.667 17.205 14.580 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.393 18.018 15.953 1.00 0.00 H new ATOM 524 N ILE A 35 1.765 14.843 18.531 1.00 0.00 N ATOM 525 CA ILE A 35 2.412 14.380 19.790 1.00 0.00 C ATOM 526 C ILE A 35 2.679 12.865 19.539 1.00 0.00 C ATOM 527 O ILE A 35 1.746 12.068 19.381 1.00 0.00 O ATOM 528 CB ILE A 35 1.594 14.661 21.103 1.00 0.00 C ATOM 529 CG1 ILE A 35 1.136 16.148 21.226 1.00 0.00 C ATOM 530 CG2 ILE A 35 2.415 14.228 22.350 1.00 0.00 C ATOM 531 CD1 ILE A 35 0.342 16.544 22.483 1.00 0.00 C ATOM 0 H ILE A 35 0.993 14.248 18.231 1.00 0.00 H new ATOM 0 HA ILE A 35 3.324 14.942 19.990 1.00 0.00 H new ATOM 0 HB ILE A 35 0.684 14.064 21.048 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.024 16.779 21.176 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.526 16.386 20.354 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.838 14.428 23.253 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.635 13.162 22.288 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.348 14.790 22.384 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.090 17.603 22.435 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.574 15.955 22.535 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.947 16.354 23.370 1.00 0.00 H new ATOM 543 N LYS A 36 3.972 12.494 19.513 1.00 0.00 N ATOM 544 CA LYS A 36 4.431 11.129 19.142 1.00 0.00 C ATOM 545 C LYS A 36 3.998 10.011 20.135 1.00 0.00 C ATOM 546 O LYS A 36 4.190 10.133 21.350 1.00 0.00 O ATOM 547 CB LYS A 36 5.964 11.126 18.896 1.00 0.00 C ATOM 548 CG LYS A 36 6.901 11.572 20.046 1.00 0.00 C ATOM 549 CD LYS A 36 8.385 11.567 19.625 1.00 0.00 C ATOM 550 CE LYS A 36 9.333 11.959 20.771 1.00 0.00 C ATOM 551 NZ LYS A 36 10.740 11.928 20.335 1.00 0.00 N ATOM 0 H LYS A 36 4.735 13.129 19.748 1.00 0.00 H new ATOM 0 HA LYS A 36 3.920 10.877 18.213 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.251 10.114 18.609 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.163 11.769 18.039 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.621 12.574 20.372 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.765 10.909 20.900 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.652 10.574 19.263 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.524 12.257 18.793 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.082 12.958 21.128 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.195 11.277 21.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.355 12.197 21.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.984 10.968 20.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.875 12.597 19.550 1.00 0.00 H new ATOM 565 N GLY A 37 3.417 8.934 19.581 1.00 0.00 N ATOM 566 CA GLY A 37 2.889 7.803 20.373 1.00 0.00 C ATOM 567 C GLY A 37 3.686 6.500 20.201 1.00 0.00 C ATOM 568 O GLY A 37 4.059 6.120 19.085 1.00 0.00 O ATOM 0 H GLY A 37 3.299 8.820 18.574 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.886 8.080 21.427 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.852 7.624 20.088 1.00 0.00 H new ATOM 572 N VAL A 38 3.884 5.795 21.328 1.00 0.00 N ATOM 573 CA VAL A 38 4.536 4.457 21.345 1.00 0.00 C ATOM 574 C VAL A 38 3.408 3.399 21.162 1.00 0.00 C ATOM 575 O VAL A 38 2.541 3.246 22.031 1.00 0.00 O ATOM 576 CB VAL A 38 5.386 4.219 22.643 1.00 0.00 C ATOM 577 CG1 VAL A 38 6.057 2.824 22.679 1.00 0.00 C ATOM 578 CG2 VAL A 38 6.504 5.267 22.847 1.00 0.00 C ATOM 0 H VAL A 38 3.602 6.126 22.251 1.00 0.00 H new ATOM 0 HA VAL A 38 5.259 4.378 20.533 1.00 0.00 H new ATOM 0 HB VAL A 38 4.652 4.304 23.444 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.630 2.720 23.600 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.290 2.050 22.639 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.724 2.719 21.823 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.051 5.042 23.762 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.188 5.239 21.999 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.062 6.260 22.924 1.00 0.00 H new ATOM 588 N SER A 39 3.478 2.643 20.051 1.00 0.00 N ATOM 589 CA SER A 39 2.672 1.411 19.869 1.00 0.00 C ATOM 590 C SER A 39 3.467 0.218 20.466 1.00 0.00 C ATOM 591 O SER A 39 4.411 -0.287 19.851 1.00 0.00 O ATOM 592 CB SER A 39 2.321 1.224 18.377 1.00 0.00 C ATOM 593 OG SER A 39 1.452 0.109 18.202 1.00 0.00 O ATOM 0 H SER A 39 4.085 2.861 19.261 1.00 0.00 H new ATOM 0 HA SER A 39 1.721 1.479 20.397 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.845 2.127 17.994 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.233 1.075 17.799 1.00 0.00 H new ATOM 0 HG SER A 39 1.239 0.007 17.251 1.00 0.00 H new ATOM 599 N GLU A 40 3.082 -0.194 21.688 1.00 0.00 N ATOM 600 CA GLU A 40 3.765 -1.285 22.430 1.00 0.00 C ATOM 601 C GLU A 40 3.082 -2.630 22.068 1.00 0.00 C ATOM 602 O GLU A 40 2.029 -2.987 22.608 1.00 0.00 O ATOM 603 CB GLU A 40 3.762 -0.953 23.944 1.00 0.00 C ATOM 604 CG GLU A 40 4.561 -1.949 24.814 1.00 0.00 C ATOM 605 CD GLU A 40 4.597 -1.541 26.287 1.00 0.00 C ATOM 606 OE1 GLU A 40 3.695 -1.953 27.051 1.00 0.00 O ATOM 607 OE2 GLU A 40 5.524 -0.804 26.687 1.00 0.00 O ATOM 0 H GLU A 40 2.294 0.213 22.192 1.00 0.00 H new ATOM 0 HA GLU A 40 4.813 -1.380 22.146 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.173 0.046 24.086 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.731 -0.927 24.296 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.117 -2.941 24.726 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.580 -2.021 24.435 1.00 0.00 H new ATOM 614 N ILE A 41 3.712 -3.347 21.124 1.00 0.00 N ATOM 615 CA ILE A 41 3.145 -4.574 20.506 1.00 0.00 C ATOM 616 C ILE A 41 3.766 -5.793 21.247 1.00 0.00 C ATOM 617 O ILE A 41 4.989 -5.887 21.393 1.00 0.00 O ATOM 618 CB ILE A 41 3.363 -4.596 18.946 1.00 0.00 C ATOM 619 CG1 ILE A 41 2.833 -3.308 18.246 1.00 0.00 C ATOM 620 CG2 ILE A 41 2.745 -5.865 18.297 1.00 0.00 C ATOM 621 CD1 ILE A 41 2.989 -3.200 16.724 1.00 0.00 C ATOM 0 H ILE A 41 4.632 -3.098 20.761 1.00 0.00 H new ATOM 0 HA ILE A 41 2.062 -4.607 20.622 1.00 0.00 H new ATOM 0 HB ILE A 41 4.442 -4.625 18.794 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.773 -3.212 18.481 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.337 -2.452 18.695 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.916 -5.843 17.221 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.211 -6.754 18.721 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.673 -5.889 18.494 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.575 -2.251 16.382 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.046 -3.250 16.462 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.457 -4.022 16.245 1.00 0.00 H new ATOM 633 N VAL A 42 2.907 -6.732 21.680 1.00 0.00 N ATOM 634 CA VAL A 42 3.354 -8.042 22.237 1.00 0.00 C ATOM 635 C VAL A 42 2.837 -9.128 21.247 1.00 0.00 C ATOM 636 O VAL A 42 1.666 -9.522 21.296 1.00 0.00 O ATOM 637 CB VAL A 42 2.901 -8.267 23.723 1.00 0.00 C ATOM 638 CG1 VAL A 42 3.396 -9.617 24.300 1.00 0.00 C ATOM 639 CG2 VAL A 42 3.351 -7.146 24.691 1.00 0.00 C ATOM 0 H VAL A 42 1.894 -6.617 21.659 1.00 0.00 H new ATOM 0 HA VAL A 42 4.441 -8.086 22.310 1.00 0.00 H new ATOM 0 HB VAL A 42 1.813 -8.262 23.661 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.054 -9.720 25.330 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.998 -10.436 23.702 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.485 -9.646 24.275 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.001 -7.372 25.698 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.439 -7.081 24.692 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.931 -6.194 24.366 1.00 0.00 H new ATOM 649 N GLN A 43 3.744 -9.632 20.386 1.00 0.00 N ATOM 650 CA GLN A 43 3.491 -10.837 19.552 1.00 0.00 C ATOM 651 C GLN A 43 3.850 -12.096 20.395 1.00 0.00 C ATOM 652 O GLN A 43 5.024 -12.344 20.694 1.00 0.00 O ATOM 653 CB GLN A 43 4.324 -10.743 18.243 1.00 0.00 C ATOM 654 CG GLN A 43 4.152 -11.928 17.263 1.00 0.00 C ATOM 655 CD GLN A 43 5.093 -11.870 16.049 1.00 0.00 C ATOM 656 OE1 GLN A 43 4.726 -11.415 14.968 1.00 0.00 O ATOM 657 NE2 GLN A 43 6.323 -12.340 16.197 1.00 0.00 N ATOM 0 H GLN A 43 4.668 -9.223 20.246 1.00 0.00 H new ATOM 0 HA GLN A 43 2.443 -10.907 19.261 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.054 -9.823 17.725 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.378 -10.662 18.508 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.325 -12.860 17.801 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.121 -11.950 16.911 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.620 -12.716 17.097 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.972 -12.326 15.411 1.00 0.00 H new ATOM 666 N ASN A 44 2.817 -12.882 20.743 1.00 0.00 N ATOM 667 CA ASN A 44 2.970 -14.181 21.443 1.00 0.00 C ATOM 668 C ASN A 44 2.501 -15.316 20.483 1.00 0.00 C ATOM 669 O ASN A 44 1.407 -15.868 20.643 1.00 0.00 O ATOM 670 CB ASN A 44 2.195 -14.090 22.789 1.00 0.00 C ATOM 671 CG ASN A 44 2.417 -15.270 23.753 1.00 0.00 C ATOM 672 OD1 ASN A 44 1.781 -16.318 23.640 1.00 0.00 O ATOM 673 ND2 ASN A 44 3.303 -15.118 24.722 1.00 0.00 N ATOM 0 H ASN A 44 1.846 -12.638 20.548 1.00 0.00 H new ATOM 0 HA ASN A 44 4.003 -14.417 21.698 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.484 -13.169 23.295 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.129 -14.014 22.572 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.466 -15.874 25.387 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.823 -14.245 24.805 1.00 0.00 H new ATOM 680 N GLY A 45 3.331 -15.635 19.467 1.00 0.00 N ATOM 681 CA GLY A 45 2.965 -16.587 18.392 1.00 0.00 C ATOM 682 C GLY A 45 1.835 -16.066 17.477 1.00 0.00 C ATOM 683 O GLY A 45 2.011 -15.070 16.768 1.00 0.00 O ATOM 0 H GLY A 45 4.268 -15.244 19.367 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.846 -16.797 17.786 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.654 -17.530 18.841 1.00 0.00 H new ATOM 687 N LYS A 46 0.670 -16.731 17.558 1.00 0.00 N ATOM 688 CA LYS A 46 -0.594 -16.232 16.945 1.00 0.00 C ATOM 689 C LYS A 46 -1.380 -15.153 17.765 1.00 0.00 C ATOM 690 O LYS A 46 -2.110 -14.385 17.138 1.00 0.00 O ATOM 691 CB LYS A 46 -1.501 -17.416 16.504 1.00 0.00 C ATOM 692 CG LYS A 46 -2.109 -18.294 17.622 1.00 0.00 C ATOM 693 CD LYS A 46 -3.100 -19.353 17.103 1.00 0.00 C ATOM 694 CE LYS A 46 -3.809 -20.097 18.251 1.00 0.00 C ATOM 695 NZ LYS A 46 -4.777 -21.084 17.744 1.00 0.00 N ATOM 0 H LYS A 46 0.567 -17.622 18.043 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.273 -15.680 16.062 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.320 -17.011 15.909 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.918 -18.061 15.847 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.303 -18.795 18.158 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.619 -17.652 18.340 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.845 -18.872 16.469 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.568 -20.072 16.480 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.067 -20.600 18.871 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.323 -19.378 18.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.234 -21.565 18.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.499 -20.600 17.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.282 -21.785 17.156 1.00 0.00 H new ATOM 709 N HIS A 47 -1.273 -15.087 19.115 1.00 0.00 N ATOM 710 CA HIS A 47 -2.002 -14.085 19.945 1.00 0.00 C ATOM 711 C HIS A 47 -1.218 -12.745 19.982 1.00 0.00 C ATOM 712 O HIS A 47 -0.182 -12.616 20.637 1.00 0.00 O ATOM 713 CB HIS A 47 -2.255 -14.615 21.387 1.00 0.00 C ATOM 714 CG HIS A 47 -3.521 -15.461 21.553 1.00 0.00 C ATOM 715 ND1 HIS A 47 -4.669 -15.034 22.195 1.00 0.00 N ATOM 716 CD2 HIS A 47 -3.704 -16.768 21.077 1.00 0.00 C ATOM 717 CE1 HIS A 47 -5.455 -16.145 22.040 1.00 0.00 C ATOM 718 NE2 HIS A 47 -4.970 -17.248 21.381 1.00 0.00 N ATOM 0 H HIS A 47 -0.685 -15.719 19.659 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.974 -13.910 19.485 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -1.395 -15.210 21.695 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.313 -13.764 22.066 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.954 -17.330 20.541 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -6.459 -16.154 22.437 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.407 -18.147 21.177 1.00 0.00 H new ATOM 726 N PHE A 48 -1.773 -11.755 19.276 1.00 0.00 N ATOM 727 CA PHE A 48 -1.237 -10.369 19.218 1.00 0.00 C ATOM 728 C PHE A 48 -2.034 -9.426 20.164 1.00 0.00 C ATOM 729 O PHE A 48 -3.253 -9.535 20.317 1.00 0.00 O ATOM 730 CB PHE A 48 -1.343 -9.820 17.767 1.00 0.00 C ATOM 731 CG PHE A 48 -0.302 -10.323 16.752 1.00 0.00 C ATOM 732 CD1 PHE A 48 -0.445 -11.576 16.146 1.00 0.00 C ATOM 733 CD2 PHE A 48 0.731 -9.476 16.334 1.00 0.00 C ATOM 734 CE1 PHE A 48 0.441 -11.984 15.153 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.596 -9.875 15.321 1.00 0.00 C ATOM 736 CZ PHE A 48 1.455 -11.128 14.735 1.00 0.00 C ATOM 0 H PHE A 48 -2.617 -11.883 18.718 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.194 -10.399 19.535 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.334 -10.063 17.384 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.276 -8.733 17.810 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.248 -12.231 16.451 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.857 -8.510 16.800 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.342 -12.963 14.708 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.379 -9.210 14.989 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.134 -11.437 13.954 1.00 0.00 H new ATOM 746 N LYS A 49 -1.318 -8.435 20.716 1.00 0.00 N ATOM 747 CA LYS A 49 -1.927 -7.187 21.253 1.00 0.00 C ATOM 748 C LYS A 49 -1.084 -5.952 20.814 1.00 0.00 C ATOM 749 O LYS A 49 0.110 -6.070 20.525 1.00 0.00 O ATOM 750 CB LYS A 49 -2.169 -7.250 22.788 1.00 0.00 C ATOM 751 CG LYS A 49 -0.929 -7.416 23.700 1.00 0.00 C ATOM 752 CD LYS A 49 -1.173 -7.081 25.184 1.00 0.00 C ATOM 753 CE LYS A 49 -2.081 -8.077 25.933 1.00 0.00 C ATOM 754 NZ LYS A 49 -2.216 -7.710 27.354 1.00 0.00 N ATOM 0 H LYS A 49 -0.303 -8.466 20.807 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.922 -7.079 20.821 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.685 -6.337 23.085 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.847 -8.079 22.988 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.576 -8.445 23.627 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.130 -6.777 23.324 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.211 -7.035 25.694 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.617 -6.087 25.249 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.065 -8.099 25.465 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.667 -9.082 25.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.832 -8.397 27.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.278 -7.713 27.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.633 -6.760 27.429 1.00 0.00 H new ATOM 768 N PHE A 50 -1.712 -4.758 20.774 1.00 0.00 N ATOM 769 CA PHE A 50 -1.022 -3.493 20.406 1.00 0.00 C ATOM 770 C PHE A 50 -1.641 -2.296 21.178 1.00 0.00 C ATOM 771 O PHE A 50 -2.852 -2.060 21.107 1.00 0.00 O ATOM 772 CB PHE A 50 -0.955 -3.266 18.869 1.00 0.00 C ATOM 773 CG PHE A 50 -2.243 -3.032 18.051 1.00 0.00 C ATOM 774 CD1 PHE A 50 -3.078 -4.101 17.706 1.00 0.00 C ATOM 775 CD2 PHE A 50 -2.528 -1.755 17.556 1.00 0.00 C ATOM 776 CE1 PHE A 50 -4.171 -3.894 16.867 1.00 0.00 C ATOM 777 CE2 PHE A 50 -3.620 -1.553 16.715 1.00 0.00 C ATOM 778 CZ PHE A 50 -4.434 -2.625 16.364 1.00 0.00 C ATOM 0 H PHE A 50 -2.701 -4.638 20.993 1.00 0.00 H new ATOM 0 HA PHE A 50 0.020 -3.577 20.716 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.307 -2.406 18.700 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.454 -4.133 18.438 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.875 -5.089 18.091 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.898 -0.921 17.827 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.815 -4.721 16.607 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.834 -0.565 16.336 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.272 -2.471 15.700 1.00 0.00 H new ATOM 788 N THR A 51 -0.790 -1.549 21.910 1.00 0.00 N ATOM 789 CA THR A 51 -1.241 -0.498 22.863 1.00 0.00 C ATOM 790 C THR A 51 -0.757 0.882 22.322 1.00 0.00 C ATOM 791 O THR A 51 0.385 1.283 22.566 1.00 0.00 O ATOM 792 CB THR A 51 -0.708 -0.809 24.300 1.00 0.00 C ATOM 793 OG1 THR A 51 -0.936 -2.169 24.658 1.00 0.00 O ATOM 794 CG2 THR A 51 -1.361 0.062 25.388 1.00 0.00 C ATOM 0 H THR A 51 0.224 -1.651 21.863 1.00 0.00 H new ATOM 0 HA THR A 51 -2.328 -0.475 22.941 1.00 0.00 H new ATOM 0 HB THR A 51 0.359 -0.590 24.255 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.590 -2.332 25.560 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.949 -0.202 26.362 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.160 1.113 25.182 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.438 -0.107 25.392 1.00 0.00 H new ATOM 802 N ILE A 52 -1.635 1.609 21.601 1.00 0.00 N ATOM 803 CA ILE A 52 -1.302 2.938 20.997 1.00 0.00 C ATOM 804 C ILE A 52 -1.568 4.037 22.073 1.00 0.00 C ATOM 805 O ILE A 52 -2.676 4.139 22.609 1.00 0.00 O ATOM 806 CB ILE A 52 -2.081 3.165 19.647 1.00 0.00 C ATOM 807 CG1 ILE A 52 -1.632 2.158 18.542 1.00 0.00 C ATOM 808 CG2 ILE A 52 -1.944 4.616 19.105 1.00 0.00 C ATOM 809 CD1 ILE A 52 -2.525 2.079 17.294 1.00 0.00 C ATOM 0 H ILE A 52 -2.591 1.304 21.416 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.249 2.985 20.718 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.130 2.992 19.887 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.623 2.424 18.225 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.575 1.164 18.986 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.502 4.711 18.173 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.341 5.317 19.839 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.893 4.838 18.922 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.114 1.348 16.598 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.531 1.777 17.585 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.564 3.056 16.812 1.00 0.00 H new ATOM 821 N THR A 53 -0.540 4.865 22.344 1.00 0.00 N ATOM 822 CA THR A 53 -0.619 5.956 23.360 1.00 0.00 C ATOM 823 C THR A 53 -0.172 7.310 22.719 1.00 0.00 C ATOM 824 O THR A 53 0.901 7.831 23.039 1.00 0.00 O ATOM 825 CB THR A 53 0.179 5.576 24.651 1.00 0.00 C ATOM 826 OG1 THR A 53 1.560 5.362 24.365 1.00 0.00 O ATOM 827 CG2 THR A 53 -0.350 4.338 25.398 1.00 0.00 C ATOM 0 H THR A 53 0.364 4.805 21.875 1.00 0.00 H new ATOM 0 HA THR A 53 -1.652 6.087 23.683 1.00 0.00 H new ATOM 0 HB THR A 53 0.040 6.437 25.305 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.924 6.147 23.905 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.266 4.153 26.278 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.381 4.512 25.707 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.310 3.471 24.739 1.00 0.00 H new ATOM 835 N ALA A 54 -1.004 7.885 21.821 1.00 0.00 N ATOM 836 CA ALA A 54 -0.638 9.096 21.036 1.00 0.00 C ATOM 837 C ALA A 54 -1.198 10.385 21.692 1.00 0.00 C ATOM 838 O ALA A 54 -2.334 10.791 21.434 1.00 0.00 O ATOM 839 CB ALA A 54 -1.118 8.905 19.583 1.00 0.00 C ATOM 0 H ALA A 54 -1.939 7.531 21.618 1.00 0.00 H new ATOM 0 HA ALA A 54 0.445 9.221 21.027 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.857 9.785 18.995 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.637 8.026 19.154 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.199 8.769 19.572 1.00 0.00 H new ATOM 845 N GLY A 55 -0.381 11.010 22.560 1.00 0.00 N ATOM 846 CA GLY A 55 -0.812 12.168 23.374 1.00 0.00 C ATOM 847 C GLY A 55 -1.355 11.722 24.744 1.00 0.00 C ATOM 848 O GLY A 55 -0.576 11.306 25.606 1.00 0.00 O ATOM 0 H GLY A 55 0.588 10.732 22.718 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.029 12.846 23.518 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.582 12.724 22.839 1.00 0.00 H new ATOM 852 N SER A 56 -2.686 11.805 24.921 1.00 0.00 N ATOM 853 CA SER A 56 -3.373 11.270 26.130 1.00 0.00 C ATOM 854 C SER A 56 -4.649 10.486 25.705 1.00 0.00 C ATOM 855 O SER A 56 -5.782 10.925 25.931 1.00 0.00 O ATOM 856 CB SER A 56 -3.669 12.417 27.130 1.00 0.00 C ATOM 857 OG SER A 56 -2.469 13.002 27.622 1.00 0.00 O ATOM 0 H SER A 56 -3.316 12.237 24.245 1.00 0.00 H new ATOM 0 HA SER A 56 -2.723 10.566 26.650 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.273 13.181 26.641 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.256 12.032 27.964 1.00 0.00 H new ATOM 0 HG SER A 56 -2.689 13.723 28.249 1.00 0.00 H new ATOM 863 N LYS A 57 -4.452 9.304 25.084 1.00 0.00 N ATOM 864 CA LYS A 57 -5.555 8.477 24.529 1.00 0.00 C ATOM 865 C LYS A 57 -5.024 7.024 24.396 1.00 0.00 C ATOM 866 O LYS A 57 -4.301 6.693 23.449 1.00 0.00 O ATOM 867 CB LYS A 57 -6.180 9.048 23.219 1.00 0.00 C ATOM 868 CG LYS A 57 -5.224 9.510 22.090 1.00 0.00 C ATOM 869 CD LYS A 57 -5.893 10.179 20.869 1.00 0.00 C ATOM 870 CE LYS A 57 -6.505 9.242 19.810 1.00 0.00 C ATOM 871 NZ LYS A 57 -7.804 8.670 20.208 1.00 0.00 N ATOM 0 H LYS A 57 -3.528 8.893 24.951 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.403 8.493 25.214 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.839 8.285 22.805 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.807 9.897 23.492 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.504 10.210 22.514 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.660 8.645 21.742 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.680 10.840 21.233 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.151 10.808 20.377 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.630 9.793 18.878 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.806 8.430 19.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.283 8.280 19.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.651 7.912 20.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.396 9.414 20.630 1.00 0.00 H new ATOM 885 N VAL A 58 -5.383 6.169 25.375 1.00 0.00 N ATOM 886 CA VAL A 58 -4.856 4.780 25.488 1.00 0.00 C ATOM 887 C VAL A 58 -5.901 3.843 24.809 1.00 0.00 C ATOM 888 O VAL A 58 -6.967 3.577 25.376 1.00 0.00 O ATOM 889 CB VAL A 58 -4.557 4.392 26.983 1.00 0.00 C ATOM 890 CG1 VAL A 58 -3.976 2.963 27.128 1.00 0.00 C ATOM 891 CG2 VAL A 58 -3.605 5.371 27.714 1.00 0.00 C ATOM 0 H VAL A 58 -6.045 6.414 26.112 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.895 4.682 24.982 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.538 4.446 27.455 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.790 2.751 28.181 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.688 2.239 26.733 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.041 2.892 26.573 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.451 5.032 28.738 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.647 5.403 27.194 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.046 6.368 27.724 1.00 0.00 H new ATOM 901 N ILE A 59 -5.569 3.350 23.603 1.00 0.00 N ATOM 902 CA ILE A 59 -6.424 2.393 22.845 1.00 0.00 C ATOM 903 C ILE A 59 -5.637 1.049 22.855 1.00 0.00 C ATOM 904 O ILE A 59 -4.700 0.864 22.069 1.00 0.00 O ATOM 905 CB ILE A 59 -6.793 2.950 21.420 1.00 0.00 C ATOM 906 CG1 ILE A 59 -7.689 4.227 21.500 1.00 0.00 C ATOM 907 CG2 ILE A 59 -7.497 1.881 20.543 1.00 0.00 C ATOM 908 CD1 ILE A 59 -7.896 4.996 20.184 1.00 0.00 C ATOM 0 H ILE A 59 -4.705 3.597 23.120 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.403 2.239 23.298 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.846 3.219 20.952 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.667 3.936 21.884 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.250 4.908 22.229 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.734 2.308 19.569 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.836 1.024 20.413 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.417 1.558 21.031 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.534 5.861 20.365 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.931 5.330 19.802 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.370 4.343 19.451 1.00 0.00 H new ATOM 920 N GLN A 60 -6.048 0.121 23.743 1.00 0.00 N ATOM 921 CA GLN A 60 -5.443 -1.231 23.841 1.00 0.00 C ATOM 922 C GLN A 60 -6.339 -2.246 23.075 1.00 0.00 C ATOM 923 O GLN A 60 -7.536 -2.387 23.351 1.00 0.00 O ATOM 924 CB GLN A 60 -5.234 -1.613 25.329 1.00 0.00 C ATOM 925 CG GLN A 60 -4.297 -2.827 25.521 1.00 0.00 C ATOM 926 CD GLN A 60 -4.100 -3.233 26.988 1.00 0.00 C ATOM 927 OE1 GLN A 60 -4.906 -3.966 27.561 1.00 0.00 O ATOM 928 NE2 GLN A 60 -3.032 -2.776 27.624 1.00 0.00 N ATOM 0 H GLN A 60 -6.803 0.282 24.410 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.458 -1.245 23.375 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.822 -0.757 25.863 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.201 -1.834 25.780 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.701 -3.676 24.970 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.325 -2.597 25.084 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.371 -2.169 27.139 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.871 -3.031 28.598 1.00 0.00 H new ATOM 937 N ASN A 61 -5.719 -2.931 22.103 1.00 0.00 N ATOM 938 CA ASN A 61 -6.414 -3.837 21.145 1.00 0.00 C ATOM 939 C ASN A 61 -5.824 -5.275 21.228 1.00 0.00 C ATOM 940 O ASN A 61 -4.692 -5.472 21.682 1.00 0.00 O ATOM 941 CB ASN A 61 -6.273 -3.221 19.723 1.00 0.00 C ATOM 942 CG ASN A 61 -7.095 -1.941 19.445 1.00 0.00 C ATOM 943 OD1 ASN A 61 -7.979 -1.548 20.203 1.00 0.00 O ATOM 944 ND2 ASN A 61 -6.818 -1.263 18.347 1.00 0.00 N ATOM 0 H ASN A 61 -4.712 -2.879 21.949 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.472 -3.927 21.391 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.221 -2.996 19.551 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.561 -3.977 18.993 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.338 -0.413 18.128 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.084 -1.589 17.718 1.00 0.00 H new ATOM 951 N GLU A 62 -6.608 -6.292 20.808 1.00 0.00 N ATOM 952 CA GLU A 62 -6.196 -7.720 20.895 1.00 0.00 C ATOM 953 C GLU A 62 -6.852 -8.472 19.708 1.00 0.00 C ATOM 954 O GLU A 62 -8.081 -8.517 19.581 1.00 0.00 O ATOM 955 CB GLU A 62 -6.571 -8.347 22.273 1.00 0.00 C ATOM 956 CG GLU A 62 -5.844 -9.660 22.662 1.00 0.00 C ATOM 957 CD GLU A 62 -6.207 -10.924 21.866 1.00 0.00 C ATOM 958 OE1 GLU A 62 -7.402 -11.292 21.817 1.00 0.00 O ATOM 959 OE2 GLU A 62 -5.296 -11.558 21.291 1.00 0.00 O ATOM 0 H GLU A 62 -7.534 -6.155 20.403 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.111 -7.803 20.826 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.374 -7.607 23.048 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.644 -8.538 22.279 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.771 -9.495 22.563 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.041 -9.856 23.716 1.00 0.00 H new ATOM 966 N PHE A 63 -6.003 -9.090 18.870 1.00 0.00 N ATOM 967 CA PHE A 63 -6.445 -10.004 17.782 1.00 0.00 C ATOM 968 C PHE A 63 -5.641 -11.329 17.825 1.00 0.00 C ATOM 969 O PHE A 63 -4.493 -11.368 18.276 1.00 0.00 O ATOM 970 CB PHE A 63 -6.371 -9.317 16.388 1.00 0.00 C ATOM 971 CG PHE A 63 -4.983 -8.910 15.848 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.448 -7.655 16.153 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.243 -9.796 15.055 1.00 0.00 C ATOM 974 CE1 PHE A 63 -3.195 -7.288 15.666 1.00 0.00 C ATOM 975 CE2 PHE A 63 -2.992 -9.424 14.573 1.00 0.00 C ATOM 976 CZ PHE A 63 -2.472 -8.172 14.875 1.00 0.00 C ATOM 0 H PHE A 63 -4.991 -8.976 18.920 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.494 -10.248 17.949 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.827 -9.989 15.661 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.990 -8.420 16.425 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.008 -6.967 16.769 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.644 -10.770 14.817 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.786 -6.317 15.903 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.424 -10.110 13.963 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.503 -7.885 14.494 1.00 0.00 H new ATOM 986 N THR A 64 -6.236 -12.398 17.276 1.00 0.00 N ATOM 987 CA THR A 64 -5.515 -13.670 17.004 1.00 0.00 C ATOM 988 C THR A 64 -5.593 -13.915 15.469 1.00 0.00 C ATOM 989 O THR A 64 -6.672 -13.855 14.867 1.00 0.00 O ATOM 990 CB THR A 64 -6.074 -14.835 17.870 1.00 0.00 C ATOM 991 OG1 THR A 64 -6.140 -14.455 19.242 1.00 0.00 O ATOM 992 CG2 THR A 64 -5.200 -16.094 17.807 1.00 0.00 C ATOM 0 H THR A 64 -7.220 -12.416 17.007 1.00 0.00 H new ATOM 0 HA THR A 64 -4.466 -13.610 17.293 1.00 0.00 H new ATOM 0 HB THR A 64 -7.061 -15.053 17.462 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.639 -15.132 19.745 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.639 -16.873 18.430 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.140 -16.444 16.777 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.199 -15.860 18.169 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.431 -14.190 14.842 1.00 0.00 N ATOM 1001 CA VAL A 65 -4.312 -14.331 13.358 1.00 0.00 C ATOM 1002 C VAL A 65 -4.979 -15.644 12.846 1.00 0.00 C ATOM 1003 O VAL A 65 -4.747 -16.734 13.382 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.846 -14.164 12.831 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.379 -12.697 12.906 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.786 -15.082 13.472 1.00 0.00 C ATOM 0 H VAL A 65 -3.549 -14.322 15.337 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.869 -13.497 12.932 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.917 -14.488 11.793 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.358 -12.621 12.532 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.036 -12.075 12.298 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.413 -12.357 13.941 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.811 -14.877 13.029 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.744 -14.895 14.545 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.053 -16.124 13.296 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.852 -15.490 11.836 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.809 -16.554 11.438 1.00 0.00 C ATOM 1018 C GLY A 66 -8.065 -16.782 12.326 1.00 0.00 C ATOM 1019 O GLY A 66 -8.635 -17.875 12.274 1.00 0.00 O ATOM 0 H GLY A 66 -5.920 -14.640 11.276 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.152 -16.333 10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.260 -17.494 11.390 1.00 0.00 H new ATOM 1023 N GLU A 67 -8.499 -15.771 13.102 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.717 -15.828 13.952 1.00 0.00 C ATOM 1025 C GLU A 67 -10.417 -14.440 13.881 1.00 0.00 C ATOM 1026 O GLU A 67 -9.768 -13.386 13.893 1.00 0.00 O ATOM 1027 CB GLU A 67 -9.383 -16.185 15.429 1.00 0.00 C ATOM 1028 CG GLU A 67 -8.911 -17.637 15.663 1.00 0.00 C ATOM 1029 CD GLU A 67 -8.613 -17.972 17.127 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -9.511 -17.817 17.986 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -7.481 -18.413 17.426 1.00 0.00 O ATOM 0 H GLU A 67 -8.011 -14.877 13.161 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.373 -16.615 13.579 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.608 -15.506 15.784 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.268 -16.005 16.039 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.676 -18.320 15.294 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.013 -17.815 15.071 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.765 -14.456 13.849 1.00 0.00 N ATOM 1039 CA GLU A 68 -12.597 -13.220 13.796 1.00 0.00 C ATOM 1040 C GLU A 68 -12.628 -12.518 15.184 1.00 0.00 C ATOM 1041 O GLU A 68 -13.162 -13.052 16.160 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.997 -13.510 13.181 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.934 -14.528 13.882 1.00 0.00 C ATOM 1044 CD GLU A 68 -15.962 -13.926 14.846 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -16.873 -13.203 14.386 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -15.875 -14.188 16.065 1.00 0.00 O ATOM 0 H GLU A 68 -12.312 -15.317 13.859 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.137 -12.502 13.118 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.531 -12.562 13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.841 -13.857 12.159 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.467 -15.091 13.116 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.320 -15.241 14.433 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.968 -11.351 15.252 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.639 -10.671 16.530 1.00 0.00 C ATOM 1055 C CYS A 69 -12.120 -9.202 16.486 1.00 0.00 C ATOM 1056 O CYS A 69 -11.813 -8.453 15.549 1.00 0.00 O ATOM 1057 CB CYS A 69 -10.118 -10.742 16.776 1.00 0.00 C ATOM 1058 SG CYS A 69 -9.577 -12.477 16.954 1.00 0.00 S ATOM 0 H CYS A 69 -11.644 -10.847 14.427 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.150 -11.173 17.352 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.588 -10.273 15.947 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.863 -10.182 17.675 1.00 0.00 H new ATOM 0 HG CYS A 69 -9.543 -13.043 15.784 1.00 0.00 H new ATOM 1064 N GLU A 70 -12.862 -8.800 17.535 1.00 0.00 N ATOM 1065 CA GLU A 70 -13.447 -7.440 17.641 1.00 0.00 C ATOM 1066 C GLU A 70 -12.398 -6.432 18.180 1.00 0.00 C ATOM 1067 O GLU A 70 -11.837 -6.615 19.268 1.00 0.00 O ATOM 1068 CB GLU A 70 -14.777 -7.449 18.435 1.00 0.00 C ATOM 1069 CG GLU A 70 -14.746 -7.914 19.912 1.00 0.00 C ATOM 1070 CD GLU A 70 -16.142 -7.960 20.537 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -16.833 -8.993 20.397 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -16.555 -6.964 21.172 1.00 0.00 O ATOM 0 H GLU A 70 -13.075 -9.401 18.331 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.715 -7.095 16.642 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.184 -6.438 18.413 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.480 -8.088 17.900 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.292 -8.903 19.969 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.114 -7.239 20.490 1.00 0.00 H new ATOM 1079 N LEU A 71 -12.112 -5.403 17.369 1.00 0.00 N ATOM 1080 CA LEU A 71 -10.958 -4.492 17.584 1.00 0.00 C ATOM 1081 C LEU A 71 -11.491 -3.060 17.808 1.00 0.00 C ATOM 1082 O LEU A 71 -12.297 -2.559 17.019 1.00 0.00 O ATOM 1083 CB LEU A 71 -10.001 -4.579 16.356 1.00 0.00 C ATOM 1084 CG LEU A 71 -9.095 -5.846 16.331 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -8.570 -6.173 14.920 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.917 -5.698 17.313 1.00 0.00 C ATOM 0 H LEU A 71 -12.667 -5.172 16.545 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.388 -4.782 18.467 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.598 -4.557 15.444 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.366 -3.693 16.343 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.722 -6.680 16.645 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.945 -7.065 14.962 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.412 -6.351 14.251 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.982 -5.335 14.547 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.299 -6.595 17.278 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.317 -4.832 17.033 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.301 -5.562 18.324 1.00 0.00 H new ATOM 1098 N GLU A 72 -11.016 -2.393 18.880 1.00 0.00 N ATOM 1099 CA GLU A 72 -11.438 -1.008 19.211 1.00 0.00 C ATOM 1100 C GLU A 72 -10.673 0.006 18.316 1.00 0.00 C ATOM 1101 O GLU A 72 -9.569 0.448 18.646 1.00 0.00 O ATOM 1102 CB GLU A 72 -11.283 -0.767 20.739 1.00 0.00 C ATOM 1103 CG GLU A 72 -11.774 0.610 21.238 1.00 0.00 C ATOM 1104 CD GLU A 72 -11.553 0.810 22.739 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -10.447 1.243 23.134 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -12.484 0.539 23.529 1.00 0.00 O ATOM 0 H GLU A 72 -10.340 -2.788 19.534 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.494 -0.857 18.989 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.830 -1.545 21.271 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.232 -0.878 21.004 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.254 1.396 20.691 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.836 0.715 21.015 1.00 0.00 H new ATOM 1113 N THR A 73 -11.303 0.372 17.186 1.00 0.00 N ATOM 1114 CA THR A 73 -10.796 1.438 16.282 1.00 0.00 C ATOM 1115 C THR A 73 -11.323 2.834 16.741 1.00 0.00 C ATOM 1116 O THR A 73 -12.231 2.966 17.573 1.00 0.00 O ATOM 1117 CB THR A 73 -11.107 1.124 14.783 1.00 0.00 C ATOM 1118 OG1 THR A 73 -12.506 1.014 14.543 1.00 0.00 O ATOM 1119 CG2 THR A 73 -10.413 -0.129 14.231 1.00 0.00 C ATOM 0 H THR A 73 -12.173 -0.055 16.869 1.00 0.00 H new ATOM 0 HA THR A 73 -9.709 1.467 16.353 1.00 0.00 H new ATOM 0 HB THR A 73 -10.697 1.981 14.249 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.985 1.009 15.398 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.688 -0.266 13.185 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.332 -0.011 14.309 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.725 -1.001 14.806 1.00 0.00 H new ATOM 1127 N MET A 74 -10.709 3.879 16.165 1.00 0.00 N ATOM 1128 CA MET A 74 -10.991 5.311 16.465 1.00 0.00 C ATOM 1129 C MET A 74 -12.498 5.732 16.466 1.00 0.00 C ATOM 1130 O MET A 74 -12.993 6.197 17.497 1.00 0.00 O ATOM 1131 CB MET A 74 -10.165 6.167 15.465 1.00 0.00 C ATOM 1132 CG MET A 74 -8.632 6.095 15.576 1.00 0.00 C ATOM 1133 SD MET A 74 -8.066 6.717 17.172 1.00 0.00 S ATOM 1134 CE MET A 74 -6.285 6.489 16.987 1.00 0.00 C ATOM 0 H MET A 74 -9.983 3.760 15.459 1.00 0.00 H new ATOM 0 HA MET A 74 -10.694 5.484 17.499 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.445 5.869 14.454 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.464 7.208 15.585 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.303 5.064 15.447 1.00 0.00 H new ATOM 0 HG3 MET A 74 -8.179 6.677 14.774 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.927 5.789 17.742 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.070 6.093 15.994 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.781 7.447 17.113 1.00 0.00 H new ATOM 1144 N THR A 75 -13.206 5.536 15.337 1.00 0.00 N ATOM 1145 CA THR A 75 -14.679 5.756 15.232 1.00 0.00 C ATOM 1146 C THR A 75 -15.513 4.449 15.442 1.00 0.00 C ATOM 1147 O THR A 75 -16.518 4.502 16.158 1.00 0.00 O ATOM 1148 CB THR A 75 -15.020 6.556 13.940 1.00 0.00 C ATOM 1149 OG1 THR A 75 -16.385 6.961 13.979 1.00 0.00 O ATOM 1150 CG2 THR A 75 -14.773 5.849 12.596 1.00 0.00 C ATOM 0 H THR A 75 -12.781 5.220 14.465 1.00 0.00 H new ATOM 0 HA THR A 75 -14.992 6.383 16.067 1.00 0.00 H new ATOM 0 HB THR A 75 -14.319 7.390 13.960 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.435 7.934 14.084 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.051 6.514 11.778 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.718 5.589 12.510 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.375 4.942 12.546 1.00 0.00 H new ATOM 1158 N GLY A 76 -15.116 3.303 14.842 1.00 0.00 N ATOM 1159 CA GLY A 76 -15.814 2.010 15.019 1.00 0.00 C ATOM 1160 C GLY A 76 -15.491 1.347 16.373 1.00 0.00 C ATOM 1161 O GLY A 76 -14.390 0.831 16.572 1.00 0.00 O ATOM 0 H GLY A 76 -14.306 3.249 14.224 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -16.890 2.168 14.942 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.533 1.335 14.211 1.00 0.00 H new ATOM 1165 N GLU A 77 -16.462 1.393 17.300 1.00 0.00 N ATOM 1166 CA GLU A 77 -16.235 1.054 18.734 1.00 0.00 C ATOM 1167 C GLU A 77 -15.722 -0.387 19.042 1.00 0.00 C ATOM 1168 O GLU A 77 -14.754 -0.510 19.795 1.00 0.00 O ATOM 1169 CB GLU A 77 -17.479 1.490 19.557 1.00 0.00 C ATOM 1170 CG GLU A 77 -17.342 1.471 21.097 1.00 0.00 C ATOM 1171 CD GLU A 77 -16.190 2.297 21.684 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -16.333 3.532 21.816 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -15.135 1.710 22.013 1.00 0.00 O ATOM 0 H GLU A 77 -17.423 1.663 17.089 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.369 1.631 19.060 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.749 2.501 19.253 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -18.311 0.842 19.283 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -18.276 1.830 21.529 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.220 0.436 21.418 1.00 0.00 H new ATOM 1180 N LYS A 78 -16.328 -1.445 18.472 1.00 0.00 N ATOM 1181 CA LYS A 78 -15.734 -2.813 18.464 1.00 0.00 C ATOM 1182 C LYS A 78 -16.110 -3.474 17.105 1.00 0.00 C ATOM 1183 O LYS A 78 -17.228 -3.967 16.925 1.00 0.00 O ATOM 1184 CB LYS A 78 -16.164 -3.686 19.682 1.00 0.00 C ATOM 1185 CG LYS A 78 -15.366 -3.472 20.991 1.00 0.00 C ATOM 1186 CD LYS A 78 -16.030 -2.518 22.004 1.00 0.00 C ATOM 1187 CE LYS A 78 -15.065 -2.080 23.120 1.00 0.00 C ATOM 1188 NZ LYS A 78 -15.701 -1.137 24.057 1.00 0.00 N ATOM 0 H LYS A 78 -17.234 -1.387 18.006 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.652 -2.734 18.566 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.217 -3.493 19.887 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -16.081 -4.735 19.398 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -15.214 -4.439 21.470 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.380 -3.083 20.739 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.399 -1.636 21.480 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.895 -3.010 22.448 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.720 -2.958 23.667 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.185 -1.614 22.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.019 -0.866 24.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.008 -0.288 23.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.526 -1.590 24.499 1.00 0.00 H new ATOM 1202 N VAL A 79 -15.152 -3.466 16.156 1.00 0.00 N ATOM 1203 CA VAL A 79 -15.358 -3.916 14.752 1.00 0.00 C ATOM 1204 C VAL A 79 -14.684 -5.307 14.513 1.00 0.00 C ATOM 1205 O VAL A 79 -13.464 -5.452 14.633 1.00 0.00 O ATOM 1206 CB VAL A 79 -14.903 -2.784 13.765 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.460 -2.246 13.919 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -15.137 -3.167 12.288 1.00 0.00 C ATOM 0 H VAL A 79 -14.201 -3.145 16.338 1.00 0.00 H new ATOM 0 HA VAL A 79 -16.417 -4.081 14.553 1.00 0.00 H new ATOM 0 HB VAL A 79 -15.552 -1.962 14.067 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.280 -1.470 13.175 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.332 -1.828 14.918 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.750 -3.060 13.773 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.807 -2.352 11.644 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.571 -4.068 12.052 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.199 -3.351 12.124 1.00 0.00 H new ATOM 1218 N LYS A 80 -15.498 -6.303 14.102 1.00 0.00 N ATOM 1219 CA LYS A 80 -15.024 -7.667 13.745 1.00 0.00 C ATOM 1220 C LYS A 80 -14.282 -7.678 12.378 1.00 0.00 C ATOM 1221 O LYS A 80 -14.842 -7.304 11.341 1.00 0.00 O ATOM 1222 CB LYS A 80 -16.224 -8.660 13.675 1.00 0.00 C ATOM 1223 CG LYS A 80 -16.839 -9.127 15.016 1.00 0.00 C ATOM 1224 CD LYS A 80 -15.949 -10.107 15.806 1.00 0.00 C ATOM 1225 CE LYS A 80 -16.630 -10.662 17.070 1.00 0.00 C ATOM 1226 NZ LYS A 80 -15.686 -11.435 17.896 1.00 0.00 N ATOM 0 H LYS A 80 -16.507 -6.188 14.007 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.328 -7.978 14.524 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.014 -8.193 13.086 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.898 -9.544 13.127 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.039 -8.253 15.636 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.799 -9.603 14.817 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.670 -10.937 15.157 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.027 -9.601 16.091 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.038 -9.839 17.656 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.469 -11.296 16.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.035 -11.476 18.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.603 -12.400 17.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.753 -10.975 17.880 1.00 0.00 H new ATOM 1240 N THR A 81 -13.029 -8.161 12.406 1.00 0.00 N ATOM 1241 CA THR A 81 -12.251 -8.485 11.178 1.00 0.00 C ATOM 1242 C THR A 81 -11.205 -9.602 11.487 1.00 0.00 C ATOM 1243 O THR A 81 -10.489 -9.559 12.494 1.00 0.00 O ATOM 1244 CB THR A 81 -11.636 -7.238 10.464 1.00 0.00 C ATOM 1245 OG1 THR A 81 -10.944 -7.652 9.289 1.00 0.00 O ATOM 1246 CG2 THR A 81 -10.688 -6.345 11.282 1.00 0.00 C ATOM 0 H THR A 81 -12.520 -8.341 13.272 1.00 0.00 H new ATOM 0 HA THR A 81 -12.955 -8.875 10.442 1.00 0.00 H new ATOM 0 HB THR A 81 -12.507 -6.614 10.262 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.048 -6.972 8.591 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.338 -5.520 10.661 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.219 -5.948 12.147 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.834 -6.933 11.619 1.00 0.00 H new ATOM 1254 N VAL A 82 -11.088 -10.563 10.545 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.998 -11.582 10.528 1.00 0.00 C ATOM 1256 C VAL A 82 -8.697 -10.889 10.009 1.00 0.00 C ATOM 1257 O VAL A 82 -8.697 -10.266 8.939 1.00 0.00 O ATOM 1258 CB VAL A 82 -10.377 -12.830 9.648 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -9.282 -13.926 9.643 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.701 -13.523 10.049 1.00 0.00 C ATOM 0 H VAL A 82 -11.744 -10.660 9.770 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.839 -11.964 11.536 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.489 -12.390 8.657 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.604 -14.759 9.018 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.355 -13.512 9.246 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.116 -14.279 10.661 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.882 -14.372 9.389 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.631 -13.873 11.079 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.524 -12.814 9.962 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.601 -11.021 10.778 1.00 0.00 N ATOM 1271 CA VAL A 83 -6.291 -10.400 10.429 1.00 0.00 C ATOM 1272 C VAL A 83 -5.400 -11.541 9.858 1.00 0.00 C ATOM 1273 O VAL A 83 -4.985 -12.442 10.594 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.644 -9.655 11.648 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -4.291 -8.996 11.281 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.552 -8.574 12.287 1.00 0.00 C ATOM 0 H VAL A 83 -7.587 -11.552 11.649 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.415 -9.617 9.681 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.491 -10.446 12.382 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.882 -8.493 12.157 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.593 -9.762 10.944 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.445 -8.269 10.484 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.030 -8.107 13.122 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.795 -7.816 11.542 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.471 -9.037 12.647 1.00 0.00 H new ATOM 1286 N GLN A 84 -5.098 -11.480 8.548 1.00 0.00 N ATOM 1287 CA GLN A 84 -4.234 -12.471 7.870 1.00 0.00 C ATOM 1288 C GLN A 84 -2.768 -11.974 7.840 1.00 0.00 C ATOM 1289 O GLN A 84 -2.469 -10.866 7.384 1.00 0.00 O ATOM 1290 CB GLN A 84 -4.760 -12.714 6.433 1.00 0.00 C ATOM 1291 CG GLN A 84 -6.007 -13.618 6.318 1.00 0.00 C ATOM 1292 CD GLN A 84 -5.775 -15.093 6.696 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -5.089 -15.833 5.991 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -6.337 -15.551 7.803 1.00 0.00 N ATOM 0 H GLN A 84 -5.443 -10.746 7.929 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.260 -13.411 8.421 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.992 -11.749 5.983 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.958 -13.157 5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.792 -13.213 6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.376 -13.574 5.293 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.904 -14.931 8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.203 -16.524 8.078 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.866 -12.844 8.315 1.00 0.00 N ATOM 1304 CA LEU A 85 -0.411 -12.566 8.375 1.00 0.00 C ATOM 1305 C LEU A 85 0.302 -13.269 7.193 1.00 0.00 C ATOM 1306 O LEU A 85 0.223 -14.492 7.031 1.00 0.00 O ATOM 1307 CB LEU A 85 0.122 -13.028 9.759 1.00 0.00 C ATOM 1308 CG LEU A 85 1.652 -12.930 10.033 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.259 -11.538 9.781 1.00 0.00 C ATOM 1310 CD2 LEU A 85 1.947 -13.390 11.470 1.00 0.00 C ATOM 0 H LEU A 85 -2.119 -13.766 8.671 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.209 -11.500 8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.390 -12.445 10.524 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.175 -14.067 9.899 1.00 0.00 H new ATOM 0 HG LEU A 85 2.133 -13.589 9.310 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.327 -11.562 9.997 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.106 -11.257 8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.774 -10.807 10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.018 -13.321 11.661 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.411 -12.753 12.173 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.622 -14.423 11.596 1.00 0.00 H new ATOM 1322 N GLU A 86 1.051 -12.466 6.419 1.00 0.00 N ATOM 1323 CA GLU A 86 2.008 -12.981 5.407 1.00 0.00 C ATOM 1324 C GLU A 86 3.413 -13.106 6.053 1.00 0.00 C ATOM 1325 O GLU A 86 4.025 -12.116 6.473 1.00 0.00 O ATOM 1326 CB GLU A 86 2.050 -12.091 4.140 1.00 0.00 C ATOM 1327 CG GLU A 86 0.814 -12.248 3.233 1.00 0.00 C ATOM 1328 CD GLU A 86 0.940 -11.469 1.921 1.00 0.00 C ATOM 1329 OE1 GLU A 86 0.534 -10.287 1.874 1.00 0.00 O ATOM 1330 OE2 GLU A 86 1.449 -12.037 0.929 1.00 0.00 O ATOM 0 H GLU A 86 1.016 -11.448 6.471 1.00 0.00 H new ATOM 0 HA GLU A 86 1.671 -13.964 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.138 -11.047 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.944 -12.333 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.664 -13.304 3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.071 -11.906 3.770 1.00 0.00 H new ATOM 1337 N GLY A 87 3.880 -14.363 6.132 1.00 0.00 N ATOM 1338 CA GLY A 87 5.170 -14.718 6.767 1.00 0.00 C ATOM 1339 C GLY A 87 5.180 -14.512 8.298 1.00 0.00 C ATOM 1340 O GLY A 87 4.402 -15.136 9.025 1.00 0.00 O ATOM 0 H GLY A 87 3.376 -15.167 5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.399 -15.761 6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.963 -14.116 6.322 1.00 0.00 H new ATOM 1344 N ASP A 88 6.053 -13.600 8.752 1.00 0.00 N ATOM 1345 CA ASP A 88 5.995 -13.030 10.132 1.00 0.00 C ATOM 1346 C ASP A 88 6.253 -11.479 10.197 1.00 0.00 C ATOM 1347 O ASP A 88 6.410 -10.953 11.304 1.00 0.00 O ATOM 1348 CB ASP A 88 6.936 -13.865 11.053 1.00 0.00 C ATOM 1349 CG ASP A 88 6.701 -13.713 12.566 1.00 0.00 C ATOM 1350 OD1 ASP A 88 5.556 -13.917 13.031 1.00 0.00 O ATOM 1351 OD2 ASP A 88 7.665 -13.396 13.296 1.00 0.00 O ATOM 0 H ASP A 88 6.818 -13.231 8.188 1.00 0.00 H new ATOM 0 HA ASP A 88 4.973 -13.117 10.501 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.828 -14.918 10.792 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.967 -13.587 10.835 1.00 0.00 H new ATOM 1356 N ASN A 89 6.257 -10.732 9.063 1.00 0.00 N ATOM 1357 CA ASN A 89 6.483 -9.258 9.050 1.00 0.00 C ATOM 1358 C ASN A 89 5.591 -8.438 8.050 1.00 0.00 C ATOM 1359 O ASN A 89 6.037 -7.398 7.554 1.00 0.00 O ATOM 1360 CB ASN A 89 8.009 -8.966 8.952 1.00 0.00 C ATOM 1361 CG ASN A 89 8.722 -9.138 7.593 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.424 -10.030 6.799 1.00 0.00 O ATOM 1363 ND2 ASN A 89 9.686 -8.272 7.314 1.00 0.00 N ATOM 0 H ASN A 89 6.105 -11.129 8.136 1.00 0.00 H new ATOM 0 HA ASN A 89 6.123 -8.873 10.004 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.168 -7.938 9.279 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.514 -9.611 9.671 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.192 -8.339 6.431 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.921 -7.538 7.982 1.00 0.00 H new ATOM 1370 N LYS A 90 4.326 -8.844 7.802 1.00 0.00 N ATOM 1371 CA LYS A 90 3.350 -8.039 7.024 1.00 0.00 C ATOM 1372 C LYS A 90 1.915 -8.472 7.432 1.00 0.00 C ATOM 1373 O LYS A 90 1.414 -9.506 6.982 1.00 0.00 O ATOM 1374 CB LYS A 90 3.601 -8.180 5.496 1.00 0.00 C ATOM 1375 CG LYS A 90 2.831 -7.158 4.630 1.00 0.00 C ATOM 1376 CD LYS A 90 2.801 -7.528 3.135 1.00 0.00 C ATOM 1377 CE LYS A 90 2.002 -6.520 2.290 1.00 0.00 C ATOM 1378 NZ LYS A 90 2.019 -6.883 0.862 1.00 0.00 N ATOM 0 H LYS A 90 3.951 -9.733 8.132 1.00 0.00 H new ATOM 0 HA LYS A 90 3.472 -6.980 7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.668 -8.072 5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.322 -9.187 5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.808 -7.078 4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.289 -6.176 4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.822 -7.583 2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.364 -8.520 3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.972 -6.481 2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.421 -5.522 2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.472 -6.184 0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.001 -6.896 0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.596 -7.825 0.738 1.00 0.00 H new ATOM 1392 N LEU A 91 1.247 -7.639 8.247 1.00 0.00 N ATOM 1393 CA LEU A 91 -0.178 -7.838 8.632 1.00 0.00 C ATOM 1394 C LEU A 91 -1.099 -7.144 7.592 1.00 0.00 C ATOM 1395 O LEU A 91 -0.863 -6.000 7.193 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.437 -7.271 10.052 1.00 0.00 C ATOM 1397 CG LEU A 91 0.267 -8.013 11.223 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.377 -7.112 12.465 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.408 -9.356 11.560 1.00 0.00 C ATOM 0 H LEU A 91 1.670 -6.808 8.661 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.400 -8.905 8.646 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.122 -6.228 10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.511 -7.282 10.235 1.00 0.00 H new ATOM 0 HG LEU A 91 1.277 -8.248 10.887 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.873 -7.658 13.267 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.956 -6.222 12.219 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.621 -6.817 12.790 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.122 -9.833 12.384 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.444 -9.180 11.849 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.381 -10.006 10.686 1.00 0.00 H new ATOM 1411 N VAL A 92 -2.134 -7.874 7.145 1.00 0.00 N ATOM 1412 CA VAL A 92 -2.997 -7.462 6.003 1.00 0.00 C ATOM 1413 C VAL A 92 -4.459 -7.685 6.490 1.00 0.00 C ATOM 1414 O VAL A 92 -4.917 -8.823 6.644 1.00 0.00 O ATOM 1415 CB VAL A 92 -2.649 -8.262 4.696 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -3.514 -7.834 3.490 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -1.162 -8.169 4.269 1.00 0.00 C ATOM 0 H VAL A 92 -2.404 -8.767 7.558 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.842 -6.420 5.725 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.866 -9.294 4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.232 -8.418 2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.566 -8.006 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.355 -6.775 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.008 -8.749 3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.901 -7.127 4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.530 -8.566 5.063 1.00 0.00 H new ATOM 1427 N THR A 93 -5.171 -6.572 6.728 1.00 0.00 N ATOM 1428 CA THR A 93 -6.568 -6.584 7.246 1.00 0.00 C ATOM 1429 C THR A 93 -7.376 -5.379 6.681 1.00 0.00 C ATOM 1430 O THR A 93 -6.834 -4.417 6.128 1.00 0.00 O ATOM 1431 CB THR A 93 -6.567 -6.689 8.809 1.00 0.00 C ATOM 1432 OG1 THR A 93 -7.864 -7.052 9.272 1.00 0.00 O ATOM 1433 CG2 THR A 93 -6.107 -5.441 9.589 1.00 0.00 C ATOM 0 H THR A 93 -4.804 -5.634 6.570 1.00 0.00 H new ATOM 0 HA THR A 93 -7.089 -7.472 6.889 1.00 0.00 H new ATOM 0 HB THR A 93 -5.815 -7.451 9.014 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.013 -8.007 9.112 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.152 -5.643 10.659 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.083 -5.194 9.310 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.760 -4.602 9.351 1.00 0.00 H new ATOM 1441 N THR A 94 -8.704 -5.462 6.848 1.00 0.00 N ATOM 1442 CA THR A 94 -9.645 -4.378 6.475 1.00 0.00 C ATOM 1443 C THR A 94 -10.807 -4.387 7.497 1.00 0.00 C ATOM 1444 O THR A 94 -11.494 -5.400 7.671 1.00 0.00 O ATOM 1445 CB THR A 94 -10.099 -4.460 4.993 1.00 0.00 C ATOM 1446 OG1 THR A 94 -10.947 -3.357 4.684 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.797 -5.767 4.574 1.00 0.00 C ATOM 0 H THR A 94 -9.164 -6.281 7.246 1.00 0.00 H new ATOM 0 HA THR A 94 -9.144 -3.411 6.528 1.00 0.00 H new ATOM 0 HB THR A 94 -9.171 -4.433 4.421 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.229 -3.413 3.747 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.070 -5.712 3.520 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.120 -6.607 4.731 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.696 -5.908 5.174 1.00 0.00 H new ATOM 1455 N PHE A 95 -11.025 -3.242 8.163 1.00 0.00 N ATOM 1456 CA PHE A 95 -11.993 -3.146 9.290 1.00 0.00 C ATOM 1457 C PHE A 95 -13.441 -2.979 8.741 1.00 0.00 C ATOM 1458 O PHE A 95 -14.147 -3.984 8.597 1.00 0.00 O ATOM 1459 CB PHE A 95 -11.562 -2.071 10.330 1.00 0.00 C ATOM 1460 CG PHE A 95 -10.194 -2.224 11.018 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -10.061 -3.019 12.159 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -9.097 -1.475 10.572 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -8.852 -3.062 12.846 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -7.891 -1.516 11.269 1.00 0.00 C ATOM 1465 CZ PHE A 95 -7.768 -2.314 12.402 1.00 0.00 C ATOM 0 H PHE A 95 -10.549 -2.366 7.948 1.00 0.00 H new ATOM 0 HA PHE A 95 -11.990 -4.080 9.852 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -11.576 -1.102 9.831 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -12.324 -2.039 11.109 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -10.900 -3.602 12.509 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.186 -0.864 9.686 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.755 -3.679 13.727 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.051 -0.928 10.929 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.830 -2.352 12.936 1.00 0.00 H new ATOM 1475 N LYS A 96 -13.856 -1.744 8.403 1.00 0.00 N ATOM 1476 CA LYS A 96 -15.164 -1.446 7.778 1.00 0.00 C ATOM 1477 C LYS A 96 -14.895 -1.117 6.278 1.00 0.00 C ATOM 1478 O LYS A 96 -14.997 -2.025 5.447 1.00 0.00 O ATOM 1479 CB LYS A 96 -15.839 -0.360 8.663 1.00 0.00 C ATOM 1480 CG LYS A 96 -17.300 -0.015 8.319 1.00 0.00 C ATOM 1481 CD LYS A 96 -18.339 -1.148 8.498 1.00 0.00 C ATOM 1482 CE LYS A 96 -18.521 -1.733 9.916 1.00 0.00 C ATOM 1483 NZ LYS A 96 -19.091 -0.773 10.879 1.00 0.00 N ATOM 0 H LYS A 96 -13.287 -0.912 8.557 1.00 0.00 H new ATOM 0 HA LYS A 96 -15.883 -2.264 7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -15.800 -0.691 9.701 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -15.247 0.553 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.606 0.829 8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -17.336 0.320 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -19.306 -0.773 8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -18.064 -1.965 7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -19.170 -2.607 9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -17.555 -2.076 10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.186 -1.229 11.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -18.462 0.051 10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -20.027 -0.463 10.548 1.00 0.00 H new ATOM 1497 N ASN A 97 -14.490 0.127 5.939 1.00 0.00 N ATOM 1498 CA ASN A 97 -13.811 0.439 4.655 1.00 0.00 C ATOM 1499 C ASN A 97 -12.458 1.161 4.957 1.00 0.00 C ATOM 1500 O ASN A 97 -12.274 2.336 4.624 1.00 0.00 O ATOM 1501 CB ASN A 97 -14.807 1.248 3.775 1.00 0.00 C ATOM 1502 CG ASN A 97 -14.351 1.436 2.320 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -13.835 2.485 1.934 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -14.511 0.413 1.498 1.00 0.00 N ATOM 0 H ASN A 97 -14.622 0.940 6.541 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.544 -0.452 4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.772 0.742 3.779 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.959 2.229 4.226 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.205 0.486 0.528 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.940 -0.449 1.834 1.00 0.00 H new ATOM 1511 N ILE A 98 -11.514 0.449 5.606 1.00 0.00 N ATOM 1512 CA ILE A 98 -10.208 1.017 6.046 1.00 0.00 C ATOM 1513 C ILE A 98 -9.197 -0.139 5.796 1.00 0.00 C ATOM 1514 O ILE A 98 -9.092 -1.052 6.620 1.00 0.00 O ATOM 1515 CB ILE A 98 -10.236 1.538 7.537 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -11.192 2.752 7.758 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -8.817 1.905 8.044 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -11.470 3.143 9.221 1.00 0.00 C ATOM 0 H ILE A 98 -11.629 -0.536 5.843 1.00 0.00 H new ATOM 0 HA ILE A 98 -9.932 1.915 5.494 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.627 0.702 8.117 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -10.770 3.617 7.247 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.144 2.530 7.276 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.879 2.259 9.073 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.176 1.024 8.001 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.398 2.690 7.415 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.146 3.998 9.247 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.928 2.302 9.742 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -10.533 3.406 9.712 1.00 0.00 H new ATOM 1530 N LYS A 99 -8.433 -0.070 4.686 1.00 0.00 N ATOM 1531 CA LYS A 99 -7.393 -1.079 4.347 1.00 0.00 C ATOM 1532 C LYS A 99 -6.099 -0.806 5.168 1.00 0.00 C ATOM 1533 O LYS A 99 -5.302 0.073 4.827 1.00 0.00 O ATOM 1534 CB LYS A 99 -7.153 -1.080 2.814 1.00 0.00 C ATOM 1535 CG LYS A 99 -6.261 -2.231 2.285 1.00 0.00 C ATOM 1536 CD LYS A 99 -6.801 -3.679 2.388 1.00 0.00 C ATOM 1537 CE LYS A 99 -7.874 -4.102 1.362 1.00 0.00 C ATOM 1538 NZ LYS A 99 -9.203 -3.504 1.588 1.00 0.00 N ATOM 0 H LYS A 99 -8.514 0.680 3.999 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.730 -2.079 4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.119 -1.131 2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.697 -0.131 2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.044 -2.030 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.312 -2.190 2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.957 -4.363 2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.215 -3.816 3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.532 -3.830 0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.970 -5.188 1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.941 -4.182 1.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.311 -3.269 2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.296 -2.639 1.018 1.00 0.00 H new ATOM 1552 N SER A 100 -5.929 -1.573 6.255 1.00 0.00 N ATOM 1553 CA SER A 100 -4.829 -1.382 7.228 1.00 0.00 C ATOM 1554 C SER A 100 -3.706 -2.406 6.934 1.00 0.00 C ATOM 1555 O SER A 100 -3.864 -3.608 7.176 1.00 0.00 O ATOM 1556 CB SER A 100 -5.425 -1.528 8.643 1.00 0.00 C ATOM 1557 OG SER A 100 -4.441 -1.311 9.646 1.00 0.00 O ATOM 0 H SER A 100 -6.550 -2.348 6.490 1.00 0.00 H new ATOM 0 HA SER A 100 -4.378 -0.393 7.149 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.240 -0.816 8.771 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.851 -2.525 8.759 1.00 0.00 H new ATOM 0 HG SER A 100 -4.849 -1.409 10.531 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.580 -1.899 6.400 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.398 -2.740 6.052 1.00 0.00 C ATOM 1565 C VAL A 101 -0.257 -2.279 6.993 1.00 0.00 C ATOM 1566 O VAL A 101 0.345 -1.225 6.778 1.00 0.00 O ATOM 1567 CB VAL A 101 -1.015 -2.664 4.536 1.00 0.00 C ATOM 1568 CG1 VAL A 101 0.243 -3.498 4.184 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -2.165 -3.154 3.626 1.00 0.00 C ATOM 0 H VAL A 101 -2.454 -0.908 6.196 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.617 -3.797 6.200 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.809 -1.609 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.456 -3.404 3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.094 -3.132 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.065 -4.546 4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.858 -3.085 2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.403 -4.190 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.046 -2.533 3.787 1.00 0.00 H new ATOM 1579 N THR A 102 0.032 -3.108 8.008 1.00 0.00 N ATOM 1580 CA THR A 102 1.096 -2.829 9.011 1.00 0.00 C ATOM 1581 C THR A 102 2.326 -3.698 8.616 1.00 0.00 C ATOM 1582 O THR A 102 2.463 -4.839 9.070 1.00 0.00 O ATOM 1583 CB THR A 102 0.534 -3.092 10.444 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.636 -2.314 10.677 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.519 -2.759 11.570 1.00 0.00 C ATOM 0 H THR A 102 -0.457 -3.989 8.165 1.00 0.00 H new ATOM 0 HA THR A 102 1.420 -1.788 9.022 1.00 0.00 H new ATOM 0 HB THR A 102 0.326 -4.162 10.466 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.974 -2.494 11.579 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.055 -2.969 12.534 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.417 -3.367 11.460 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.787 -1.704 11.518 1.00 0.00 H new ATOM 1593 N GLU A 103 3.198 -3.151 7.745 1.00 0.00 N ATOM 1594 CA GLU A 103 4.368 -3.883 7.193 1.00 0.00 C ATOM 1595 C GLU A 103 5.647 -3.466 7.961 1.00 0.00 C ATOM 1596 O GLU A 103 6.038 -2.295 7.955 1.00 0.00 O ATOM 1597 CB GLU A 103 4.494 -3.599 5.672 1.00 0.00 C ATOM 1598 CG GLU A 103 5.562 -4.461 4.957 1.00 0.00 C ATOM 1599 CD GLU A 103 5.695 -4.133 3.470 1.00 0.00 C ATOM 1600 OE1 GLU A 103 6.475 -3.219 3.120 1.00 0.00 O ATOM 1601 OE2 GLU A 103 5.023 -4.789 2.643 1.00 0.00 O ATOM 0 H GLU A 103 3.116 -2.194 7.402 1.00 0.00 H new ATOM 0 HA GLU A 103 4.232 -4.957 7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.527 -3.771 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.736 -2.546 5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.526 -4.313 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.306 -5.515 5.070 1.00 0.00 H new ATOM 1608 N LEU A 104 6.323 -4.459 8.560 1.00 0.00 N ATOM 1609 CA LEU A 104 7.624 -4.244 9.246 1.00 0.00 C ATOM 1610 C LEU A 104 8.795 -4.197 8.217 1.00 0.00 C ATOM 1611 O LEU A 104 8.891 -5.042 7.319 1.00 0.00 O ATOM 1612 CB LEU A 104 7.874 -5.343 10.324 1.00 0.00 C ATOM 1613 CG LEU A 104 8.255 -4.856 11.747 1.00 0.00 C ATOM 1614 CD1 LEU A 104 8.396 -6.073 12.680 1.00 0.00 C ATOM 1615 CD2 LEU A 104 9.549 -4.023 11.788 1.00 0.00 C ATOM 0 H LEU A 104 5.996 -5.425 8.587 1.00 0.00 H new ATOM 0 HA LEU A 104 7.582 -3.280 9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.973 -5.951 10.403 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.669 -5.996 9.965 1.00 0.00 H new ATOM 0 HG LEU A 104 7.452 -4.198 12.080 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.664 -5.735 13.681 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.450 -6.612 12.720 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.175 -6.734 12.300 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.753 -3.717 12.814 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.380 -4.623 11.417 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.432 -3.138 11.162 1.00 0.00 H new ATOM 1627 N ASN A 105 9.684 -3.209 8.395 1.00 0.00 N ATOM 1628 CA ASN A 105 10.917 -3.042 7.574 1.00 0.00 C ATOM 1629 C ASN A 105 12.154 -2.962 8.523 1.00 0.00 C ATOM 1630 O ASN A 105 12.817 -1.923 8.623 1.00 0.00 O ATOM 1631 CB ASN A 105 10.776 -1.790 6.659 1.00 0.00 C ATOM 1632 CG ASN A 105 9.785 -1.928 5.483 1.00 0.00 C ATOM 1633 OD1 ASN A 105 10.143 -2.362 4.389 1.00 0.00 O ATOM 1634 ND2 ASN A 105 8.530 -1.563 5.688 1.00 0.00 N ATOM 0 H ASN A 105 9.577 -2.493 9.114 1.00 0.00 H new ATOM 0 HA ASN A 105 11.061 -3.899 6.916 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.465 -0.946 7.275 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.758 -1.545 6.255 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.847 -1.640 4.934 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.246 -1.205 6.600 1.00 0.00 H new ATOM 1641 N GLY A 106 12.463 -4.078 9.220 1.00 0.00 N ATOM 1642 CA GLY A 106 13.590 -4.145 10.184 1.00 0.00 C ATOM 1643 C GLY A 106 13.248 -3.531 11.556 1.00 0.00 C ATOM 1644 O GLY A 106 12.719 -4.213 12.437 1.00 0.00 O ATOM 0 H GLY A 106 11.945 -4.952 9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.882 -5.186 10.321 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.451 -3.625 9.764 1.00 0.00 H new ATOM 1648 N ASP A 107 13.533 -2.228 11.695 1.00 0.00 N ATOM 1649 CA ASP A 107 12.981 -1.378 12.790 1.00 0.00 C ATOM 1650 C ASP A 107 11.645 -0.655 12.408 1.00 0.00 C ATOM 1651 O ASP A 107 10.789 -0.491 13.281 1.00 0.00 O ATOM 1652 CB ASP A 107 14.029 -0.327 13.248 1.00 0.00 C ATOM 1653 CG ASP A 107 15.280 -0.885 13.943 1.00 0.00 C ATOM 1654 OD1 ASP A 107 16.262 -1.217 13.243 1.00 0.00 O ATOM 1655 OD2 ASP A 107 15.286 -0.992 15.189 1.00 0.00 O ATOM 0 H ASP A 107 14.150 -1.723 11.059 1.00 0.00 H new ATOM 0 HA ASP A 107 12.751 -2.060 13.609 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.346 0.245 12.376 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.541 0.372 13.927 1.00 0.00 H new ATOM 1660 N ILE A 108 11.480 -0.189 11.148 1.00 0.00 N ATOM 1661 CA ILE A 108 10.415 0.775 10.758 1.00 0.00 C ATOM 1662 C ILE A 108 9.083 0.007 10.518 1.00 0.00 C ATOM 1663 O ILE A 108 8.904 -0.618 9.469 1.00 0.00 O ATOM 1664 CB ILE A 108 10.824 1.626 9.495 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.282 2.176 9.441 1.00 0.00 C ATOM 1666 CG2 ILE A 108 9.818 2.773 9.228 1.00 0.00 C ATOM 1667 CD1 ILE A 108 12.713 3.087 10.595 1.00 0.00 C ATOM 0 H ILE A 108 12.079 -0.468 10.371 1.00 0.00 H new ATOM 0 HA ILE A 108 10.275 1.483 11.574 1.00 0.00 H new ATOM 0 HB ILE A 108 10.789 0.883 8.698 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.965 1.328 9.403 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.405 2.726 8.508 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.134 3.337 8.350 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.827 2.354 9.053 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.785 3.436 10.092 1.00 0.00 H new ATOM 0 HD11 ILE A 108 13.745 3.403 10.443 1.00 0.00 H new ATOM 0 HD12 ILE A 108 12.066 3.963 10.628 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.635 2.543 11.536 1.00 0.00 H new ATOM 1679 N ILE A 109 8.129 0.116 11.460 1.00 0.00 N ATOM 1680 CA ILE A 109 6.747 -0.400 11.266 1.00 0.00 C ATOM 1681 C ILE A 109 5.952 0.682 10.471 1.00 0.00 C ATOM 1682 O ILE A 109 5.691 1.785 10.966 1.00 0.00 O ATOM 1683 CB ILE A 109 6.122 -0.883 12.619 1.00 0.00 C ATOM 1684 CG1 ILE A 109 4.964 -1.888 12.387 1.00 0.00 C ATOM 1685 CG2 ILE A 109 5.697 0.255 13.575 1.00 0.00 C ATOM 1686 CD1 ILE A 109 4.419 -2.527 13.671 1.00 0.00 C ATOM 0 H ILE A 109 8.283 0.556 12.367 1.00 0.00 H new ATOM 0 HA ILE A 109 6.722 -1.309 10.665 1.00 0.00 H new ATOM 0 HB ILE A 109 6.933 -1.399 13.133 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.149 -1.375 11.876 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.311 -2.678 11.721 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.276 -0.172 14.485 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.567 0.861 13.828 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.949 0.880 13.087 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.613 -3.216 13.420 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.218 -3.071 14.174 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.038 -1.748 14.332 1.00 0.00 H new ATOM 1698 N THR A 110 5.643 0.359 9.209 1.00 0.00 N ATOM 1699 CA THR A 110 5.043 1.315 8.246 1.00 0.00 C ATOM 1700 C THR A 110 3.547 0.920 8.115 1.00 0.00 C ATOM 1701 O THR A 110 3.202 0.003 7.360 1.00 0.00 O ATOM 1702 CB THR A 110 5.829 1.294 6.899 1.00 0.00 C ATOM 1703 OG1 THR A 110 7.211 1.564 7.126 1.00 0.00 O ATOM 1704 CG2 THR A 110 5.332 2.332 5.875 1.00 0.00 C ATOM 0 H THR A 110 5.799 -0.570 8.818 1.00 0.00 H new ATOM 0 HA THR A 110 5.105 2.349 8.585 1.00 0.00 H new ATOM 0 HB THR A 110 5.667 0.296 6.491 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.692 1.546 6.273 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.926 2.258 4.964 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.285 2.140 5.642 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.433 3.333 6.294 1.00 0.00 H new ATOM 1712 N ASN A 111 2.672 1.622 8.859 1.00 0.00 N ATOM 1713 CA ASN A 111 1.203 1.410 8.793 1.00 0.00 C ATOM 1714 C ASN A 111 0.625 2.400 7.756 1.00 0.00 C ATOM 1715 O ASN A 111 0.375 3.568 8.060 1.00 0.00 O ATOM 1716 CB ASN A 111 0.596 1.500 10.222 1.00 0.00 C ATOM 1717 CG ASN A 111 -0.942 1.599 10.319 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -1.485 2.666 10.606 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -1.671 0.525 10.061 1.00 0.00 N ATOM 0 H ASN A 111 2.954 2.347 9.519 1.00 0.00 H new ATOM 0 HA ASN A 111 0.936 0.412 8.446 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.916 0.622 10.783 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.025 2.370 10.719 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.689 0.578 10.099 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.215 -0.356 9.824 1.00 0.00 H new ATOM 1726 N THR A 112 0.399 1.873 6.542 1.00 0.00 N ATOM 1727 CA THR A 112 -0.190 2.628 5.414 1.00 0.00 C ATOM 1728 C THR A 112 -1.712 2.302 5.417 1.00 0.00 C ATOM 1729 O THR A 112 -2.147 1.270 4.892 1.00 0.00 O ATOM 1730 CB THR A 112 0.558 2.232 4.107 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.964 2.433 4.244 1.00 0.00 O ATOM 1732 CG2 THR A 112 0.116 3.062 2.901 1.00 0.00 C ATOM 0 H THR A 112 0.620 0.905 6.310 1.00 0.00 H new ATOM 0 HA THR A 112 -0.080 3.709 5.497 1.00 0.00 H new ATOM 0 HB THR A 112 0.316 1.182 3.943 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.414 2.176 3.412 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.670 2.744 2.018 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.951 2.918 2.732 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.314 4.117 3.093 1.00 0.00 H new ATOM 1740 N MET A 113 -2.492 3.185 6.066 1.00 0.00 N ATOM 1741 CA MET A 113 -3.918 2.930 6.383 1.00 0.00 C ATOM 1742 C MET A 113 -4.785 3.801 5.439 1.00 0.00 C ATOM 1743 O MET A 113 -4.879 5.021 5.617 1.00 0.00 O ATOM 1744 CB MET A 113 -4.177 3.237 7.885 1.00 0.00 C ATOM 1745 CG MET A 113 -5.278 2.365 8.502 1.00 0.00 C ATOM 1746 SD MET A 113 -6.001 3.174 9.947 1.00 0.00 S ATOM 1747 CE MET A 113 -5.063 2.435 11.298 1.00 0.00 C ATOM 0 H MET A 113 -2.158 4.094 6.387 1.00 0.00 H new ATOM 0 HA MET A 113 -4.182 1.885 6.222 1.00 0.00 H new ATOM 0 HB2 MET A 113 -3.252 3.091 8.443 1.00 0.00 H new ATOM 0 HB3 MET A 113 -4.452 4.286 7.992 1.00 0.00 H new ATOM 0 HG2 MET A 113 -6.054 2.172 7.761 1.00 0.00 H new ATOM 0 HG3 MET A 113 -4.865 1.398 8.789 1.00 0.00 H new ATOM 0 HE1 MET A 113 -5.407 2.845 12.247 1.00 0.00 H new ATOM 0 HE2 MET A 113 -5.210 1.355 11.295 1.00 0.00 H new ATOM 0 HE3 MET A 113 -4.004 2.657 11.170 1.00 0.00 H new ATOM 1757 N THR A 114 -5.381 3.175 4.413 1.00 0.00 N ATOM 1758 CA THR A 114 -6.029 3.912 3.295 1.00 0.00 C ATOM 1759 C THR A 114 -7.574 3.837 3.458 1.00 0.00 C ATOM 1760 O THR A 114 -8.166 2.753 3.450 1.00 0.00 O ATOM 1761 CB THR A 114 -5.523 3.353 1.931 1.00 0.00 C ATOM 1762 OG1 THR A 114 -4.101 3.443 1.863 1.00 0.00 O ATOM 1763 CG2 THR A 114 -6.071 4.092 0.696 1.00 0.00 C ATOM 0 H THR A 114 -5.433 2.160 4.326 1.00 0.00 H new ATOM 0 HA THR A 114 -5.756 4.967 3.317 1.00 0.00 H new ATOM 0 HB THR A 114 -5.884 2.325 1.902 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.791 3.088 1.004 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.668 3.637 -0.209 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.159 4.022 0.683 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.775 5.140 0.738 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.213 5.017 3.539 1.00 0.00 N ATOM 1772 CA LEU A 115 -9.696 5.155 3.476 1.00 0.00 C ATOM 1773 C LEU A 115 -10.206 5.072 2.003 1.00 0.00 C ATOM 1774 O LEU A 115 -10.968 4.158 1.674 1.00 0.00 O ATOM 1775 CB LEU A 115 -10.101 6.447 4.250 1.00 0.00 C ATOM 1776 CG LEU A 115 -11.605 6.837 4.303 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -12.507 5.745 4.913 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -11.776 8.164 5.067 1.00 0.00 C ATOM 0 H LEU A 115 -7.726 5.906 3.650 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.195 4.321 3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.749 6.343 5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.557 7.282 3.809 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.932 6.955 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.542 6.088 4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.429 4.835 4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.189 5.540 5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -12.832 8.431 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.398 8.050 6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.219 8.951 4.559 1.00 0.00 H new ATOM 1790 N GLY A 116 -9.767 6.007 1.143 1.00 0.00 N ATOM 1791 CA GLY A 116 -10.056 5.980 -0.305 1.00 0.00 C ATOM 1792 C GLY A 116 -8.949 6.740 -1.053 1.00 0.00 C ATOM 1793 O GLY A 116 -7.993 6.127 -1.536 1.00 0.00 O ATOM 0 H GLY A 116 -9.201 6.805 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -10.110 4.950 -0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -11.026 6.437 -0.504 1.00 0.00 H new ATOM 1797 N ASP A 117 -9.077 8.077 -1.102 1.00 0.00 N ATOM 1798 CA ASP A 117 -7.983 8.982 -1.565 1.00 0.00 C ATOM 1799 C ASP A 117 -6.893 9.287 -0.484 1.00 0.00 C ATOM 1800 O ASP A 117 -5.727 9.456 -0.850 1.00 0.00 O ATOM 1801 CB ASP A 117 -8.574 10.314 -2.106 1.00 0.00 C ATOM 1802 CG ASP A 117 -9.405 10.193 -3.394 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -8.812 10.096 -4.491 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -10.654 10.192 -3.311 1.00 0.00 O ATOM 0 H ASP A 117 -9.928 8.568 -0.827 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.475 8.438 -2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -9.200 10.755 -1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.754 11.008 -2.287 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.256 9.377 0.817 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.328 9.777 1.912 1.00 0.00 C ATOM 1811 C ILE A 118 -5.489 8.526 2.323 1.00 0.00 C ATOM 1812 O ILE A 118 -6.037 7.470 2.660 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.122 10.412 3.113 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -7.938 11.687 2.721 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.181 10.758 4.300 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -9.047 12.088 3.707 1.00 0.00 C ATOM 0 H ILE A 118 -8.201 9.175 1.142 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.641 10.552 1.573 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.834 9.644 3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -7.246 12.523 2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.388 11.523 1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.764 11.194 5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.691 9.850 4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.427 11.472 3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -9.551 12.983 3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -9.768 11.275 3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -8.609 12.291 4.684 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.156 8.701 2.312 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.185 7.642 2.694 1.00 0.00 C ATOM 1830 C VAL A 119 -2.553 8.113 4.039 1.00 0.00 C ATOM 1831 O VAL A 119 -1.686 8.995 4.057 1.00 0.00 O ATOM 1832 CB VAL A 119 -2.148 7.396 1.542 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -1.053 6.376 1.925 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -2.802 6.902 0.226 1.00 0.00 C ATOM 0 H VAL A 119 -3.714 9.579 2.039 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.654 6.669 2.839 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.702 8.378 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.366 6.248 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.504 6.741 2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.515 5.418 2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.031 6.751 -0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.320 5.961 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.515 7.646 -0.127 1.00 0.00 H new ATOM 1844 N PHE A 120 -2.985 7.489 5.153 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.416 7.747 6.502 1.00 0.00 C ATOM 1846 C PHE A 120 -1.191 6.822 6.752 1.00 0.00 C ATOM 1847 O PHE A 120 -1.345 5.701 7.243 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.541 7.611 7.564 1.00 0.00 C ATOM 1849 CG PHE A 120 -3.171 7.702 9.064 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -2.353 8.727 9.555 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -3.686 6.758 9.962 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -2.072 8.820 10.915 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -3.398 6.846 11.321 1.00 0.00 C ATOM 1854 CZ PHE A 120 -2.603 7.884 11.796 1.00 0.00 C ATOM 0 H PHE A 120 -3.733 6.795 5.150 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.036 8.766 6.577 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.281 8.385 7.360 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.031 6.651 7.403 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.936 9.452 8.872 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -4.311 5.956 9.597 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -1.444 9.617 11.285 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.791 6.109 12.006 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.397 7.963 12.853 1.00 0.00 H new ATOM 1864 N LYS A 121 0.015 7.320 6.426 1.00 0.00 N ATOM 1865 CA LYS A 121 1.279 6.554 6.588 1.00 0.00 C ATOM 1866 C LYS A 121 1.991 7.009 7.891 1.00 0.00 C ATOM 1867 O LYS A 121 2.519 8.122 7.956 1.00 0.00 O ATOM 1868 CB LYS A 121 2.157 6.726 5.318 1.00 0.00 C ATOM 1869 CG LYS A 121 3.405 5.810 5.271 1.00 0.00 C ATOM 1870 CD LYS A 121 4.307 6.009 4.035 1.00 0.00 C ATOM 1871 CE LYS A 121 3.703 5.506 2.709 1.00 0.00 C ATOM 1872 NZ LYS A 121 4.624 5.726 1.580 1.00 0.00 N ATOM 0 H LYS A 121 0.148 8.257 6.045 1.00 0.00 H new ATOM 0 HA LYS A 121 1.078 5.488 6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.544 6.529 4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.482 7.765 5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.999 5.983 6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 121 3.077 4.771 5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.535 7.070 3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.253 5.495 4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 121 3.474 4.444 2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 121 2.762 6.021 2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 4.188 5.377 0.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.822 6.743 1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.513 5.214 1.752 1.00 0.00 H new ATOM 1886 N ARG A 122 2.035 6.120 8.899 1.00 0.00 N ATOM 1887 CA ARG A 122 2.873 6.319 10.115 1.00 0.00 C ATOM 1888 C ARG A 122 4.260 5.647 9.887 1.00 0.00 C ATOM 1889 O ARG A 122 4.337 4.466 9.536 1.00 0.00 O ATOM 1890 CB ARG A 122 2.209 5.679 11.366 1.00 0.00 C ATOM 1891 CG ARG A 122 1.112 6.525 12.050 1.00 0.00 C ATOM 1892 CD ARG A 122 0.733 5.938 13.425 1.00 0.00 C ATOM 1893 NE ARG A 122 -0.193 6.823 14.170 1.00 0.00 N ATOM 1894 CZ ARG A 122 -0.481 6.693 15.481 1.00 0.00 C ATOM 1895 NH1 ARG A 122 0.053 5.763 16.271 1.00 0.00 N ATOM 1896 NH2 ARG A 122 -1.343 7.539 16.014 1.00 0.00 N ATOM 0 H ARG A 122 1.501 5.251 8.904 1.00 0.00 H new ATOM 0 HA ARG A 122 2.982 7.390 10.288 1.00 0.00 H new ATOM 0 HB2 ARG A 122 1.775 4.722 11.075 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.987 5.466 12.099 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.463 7.550 12.173 1.00 0.00 H new ATOM 0 HG3 ARG A 122 0.229 6.565 11.412 1.00 0.00 H new ATOM 0 HD2 ARG A 122 0.269 4.962 13.287 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.637 5.781 14.014 1.00 0.00 H new ATOM 0 HE ARG A 122 -0.643 7.581 13.657 1.00 0.00 H new ATOM 0 HH11 ARG A 122 0.723 5.095 15.891 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.208 5.719 17.256 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -1.770 8.264 15.437 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -1.583 7.468 17.003 1.00 0.00 H new ATOM 1910 N ILE A 123 5.340 6.407 10.130 1.00 0.00 N ATOM 1911 CA ILE A 123 6.743 5.914 10.002 1.00 0.00 C ATOM 1912 C ILE A 123 7.267 5.810 11.467 1.00 0.00 C ATOM 1913 O ILE A 123 7.627 6.826 12.071 1.00 0.00 O ATOM 1914 CB ILE A 123 7.592 6.846 9.060 1.00 0.00 C ATOM 1915 CG1 ILE A 123 7.067 6.938 7.587 1.00 0.00 C ATOM 1916 CG2 ILE A 123 9.082 6.422 9.001 1.00 0.00 C ATOM 1917 CD1 ILE A 123 6.056 8.062 7.314 1.00 0.00 C ATOM 0 H ILE A 123 5.277 7.382 10.421 1.00 0.00 H new ATOM 0 HA ILE A 123 6.816 4.941 9.517 1.00 0.00 H new ATOM 0 HB ILE A 123 7.487 7.828 9.522 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.921 7.072 6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 123 6.605 5.986 7.324 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.626 7.095 8.338 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.514 6.470 10.001 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.155 5.403 8.622 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.758 8.036 6.266 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.178 7.923 7.945 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.514 9.026 7.537 1.00 0.00 H new ATOM 1929 N SER A 124 7.272 4.582 12.027 1.00 0.00 N ATOM 1930 CA SER A 124 7.514 4.363 13.483 1.00 0.00 C ATOM 1931 C SER A 124 8.714 3.396 13.707 1.00 0.00 C ATOM 1932 O SER A 124 8.614 2.187 13.498 1.00 0.00 O ATOM 1933 CB SER A 124 6.210 3.859 14.149 1.00 0.00 C ATOM 1934 OG SER A 124 5.231 4.890 14.214 1.00 0.00 O ATOM 0 H SER A 124 7.112 3.723 11.500 1.00 0.00 H new ATOM 0 HA SER A 124 7.789 5.305 13.957 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.814 3.014 13.586 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.428 3.498 15.154 1.00 0.00 H new ATOM 0 HG SER A 124 4.418 4.543 14.637 1.00 0.00 H new ATOM 1940 N LYS A 125 9.854 3.946 14.162 1.00 0.00 N ATOM 1941 CA LYS A 125 11.115 3.188 14.407 1.00 0.00 C ATOM 1942 C LYS A 125 11.089 2.493 15.799 1.00 0.00 C ATOM 1943 O LYS A 125 10.619 3.068 16.786 1.00 0.00 O ATOM 1944 CB LYS A 125 12.289 4.202 14.254 1.00 0.00 C ATOM 1945 CG LYS A 125 13.738 3.655 14.191 1.00 0.00 C ATOM 1946 CD LYS A 125 14.470 3.359 15.522 1.00 0.00 C ATOM 1947 CE LYS A 125 14.629 4.518 16.528 1.00 0.00 C ATOM 1948 NZ LYS A 125 15.467 5.623 16.021 1.00 0.00 N ATOM 0 H LYS A 125 9.937 4.940 14.375 1.00 0.00 H new ATOM 0 HA LYS A 125 11.239 2.378 13.688 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.113 4.778 13.346 1.00 0.00 H new ATOM 0 HB3 LYS A 125 12.235 4.900 15.089 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.720 2.733 13.609 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.340 4.372 13.633 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.939 2.550 16.024 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.465 2.985 15.281 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.643 4.907 16.782 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.067 4.133 17.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 15.534 6.368 16.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.419 5.265 15.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.039 6.015 15.158 1.00 0.00 H new ATOM 1962 N ARG A 126 11.628 1.258 15.861 1.00 0.00 N ATOM 1963 CA ARG A 126 11.649 0.431 17.097 1.00 0.00 C ATOM 1964 C ARG A 126 12.643 0.997 18.159 1.00 0.00 C ATOM 1965 O ARG A 126 13.863 0.853 18.023 1.00 0.00 O ATOM 1966 CB ARG A 126 11.952 -1.051 16.724 1.00 0.00 C ATOM 1967 CG ARG A 126 11.539 -2.145 17.739 1.00 0.00 C ATOM 1968 CD ARG A 126 12.363 -2.201 19.040 1.00 0.00 C ATOM 1969 NE ARG A 126 12.017 -3.389 19.855 1.00 0.00 N ATOM 1970 CZ ARG A 126 12.561 -3.674 21.055 1.00 0.00 C ATOM 1971 NH1 ARG A 126 13.456 -2.903 21.670 1.00 0.00 N ATOM 1972 NH2 ARG A 126 12.187 -4.788 21.656 1.00 0.00 N ATOM 0 H ARG A 126 12.062 0.801 15.059 1.00 0.00 H new ATOM 0 HA ARG A 126 10.666 0.470 17.566 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.457 -1.267 15.777 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.024 -1.141 16.551 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.492 -1.994 18.001 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.607 -3.115 17.246 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.425 -2.222 18.798 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.187 -1.296 19.622 1.00 0.00 H new ATOM 0 HE ARG A 126 11.320 -4.035 19.483 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.770 -2.037 21.232 1.00 0.00 H new ATOM 0 HH12 ARG A 126 13.828 -3.179 22.579 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.506 -5.403 21.211 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.579 -5.034 22.565 1.00 0.00 H new ATOM 1986 N ILE A 127 12.094 1.611 19.226 1.00 0.00 N ATOM 1987 CA ILE A 127 12.891 2.148 20.366 1.00 0.00 C ATOM 1988 C ILE A 127 13.235 1.038 21.385 1.00 0.00 C ATOM 1989 O ILE A 127 12.380 0.299 21.877 1.00 0.00 O ATOM 1990 CB ILE A 127 12.276 3.422 21.026 1.00 0.00 C ATOM 1991 CG1 ILE A 127 10.839 3.237 21.595 1.00 0.00 C ATOM 1992 CG2 ILE A 127 12.373 4.645 20.078 1.00 0.00 C ATOM 1993 CD1 ILE A 127 10.482 4.249 22.687 1.00 0.00 C ATOM 0 H ILE A 127 11.089 1.752 19.329 1.00 0.00 H new ATOM 0 HA ILE A 127 13.833 2.498 19.943 1.00 0.00 H new ATOM 0 HB ILE A 127 12.890 3.614 21.906 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.120 3.324 20.781 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.743 2.229 21.999 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.937 5.518 20.564 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.419 4.844 19.846 1.00 0.00 H new ATOM 0 HG23 ILE A 127 11.831 4.435 19.156 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.467 4.062 23.038 1.00 0.00 H new ATOM 0 HD12 ILE A 127 11.179 4.147 23.519 1.00 0.00 H new ATOM 0 HD13 ILE A 127 10.546 5.259 22.282 1.00 0.00 H new TER 2005 ILE A 127