USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 472 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -103:sc= 0.435 (180deg=-1.51!) USER MOD Single : A 9 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.2!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.908 K(o=-0.91,f=-6.8!) USER MOD Single : A 16 GLN : amide:sc= -2.72! C(o=-2.7!,f=-2.9!) USER MOD Single : A 17 SER OG : rot -92:sc= 0.109 USER MOD Single : A 19 CYS SG : rot 40:sc= 0.852 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.12! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 13:sc= 1.13 USER MOD Single : A 27 SER OG : rot 58:sc= 1.11 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -172:sc=-0.000257 (180deg=-0.00598) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.667! USER MOD Single : A 44 THR OG1 : rot -59:sc= 1.18 USER MOD Single : A 46 ASN : amide:sc= -0.514 K(o=-0.51,f=-2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 60 HIS : no HE2:sc= -5.43! C(o=-5.4!,f=-7.4!) USER MOD Single : A 61 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.014) USER MOD Single : A 62 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.18) USER MOD Single : A 63 HIS : no HE2:sc= -6.3! C(o=-6.3!,f=-7.9!) USER MOD Single : A 64 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 97.974 -37.609 11.572 1.00 1.00 N ATOM 2 CA MET A 1 96.937 -37.597 10.502 1.00 1.00 C ATOM 3 C MET A 1 95.601 -37.169 11.099 1.00 1.00 C ATOM 4 O MET A 1 95.407 -37.218 12.313 1.00 1.00 O ATOM 5 CB MET A 1 96.814 -38.998 9.899 1.00 1.00 C ATOM 6 CG MET A 1 96.711 -40.031 11.022 1.00 1.00 C ATOM 7 SD MET A 1 98.361 -40.361 11.692 1.00 1.00 S ATOM 8 CE MET A 1 98.533 -42.044 11.049 1.00 1.00 C ATOM 0 H1 MET A 1 98.574 -36.764 11.484 1.00 1.00 H new ATOM 0 H2 MET A 1 97.512 -37.610 12.504 1.00 1.00 H new ATOM 0 H3 MET A 1 98.561 -38.462 11.477 1.00 1.00 H new ATOM 0 HA MET A 1 97.222 -36.894 9.719 1.00 1.00 H new ATOM 0 HB2 MET A 1 95.934 -39.053 9.258 1.00 1.00 H new ATOM 0 HB3 MET A 1 97.679 -39.212 9.272 1.00 1.00 H new ATOM 0 HG2 MET A 1 96.054 -39.663 11.810 1.00 1.00 H new ATOM 0 HG3 MET A 1 96.270 -40.953 10.643 1.00 1.00 H new ATOM 0 HE1 MET A 1 99.499 -42.451 11.349 1.00 1.00 H new ATOM 0 HE2 MET A 1 97.735 -42.670 11.449 1.00 1.00 H new ATOM 0 HE3 MET A 1 98.469 -42.026 9.961 1.00 1.00 H new ATOM 20 N GLU A 2 94.682 -36.748 10.236 1.00 1.00 N ATOM 21 CA GLU A 2 93.366 -36.311 10.689 1.00 1.00 C ATOM 22 C GLU A 2 92.367 -37.462 10.619 1.00 1.00 C ATOM 23 O GLU A 2 91.861 -37.793 9.546 1.00 1.00 O ATOM 24 CB GLU A 2 92.872 -35.151 9.823 1.00 1.00 C ATOM 25 CG GLU A 2 93.830 -33.966 9.963 1.00 1.00 C ATOM 26 CD GLU A 2 93.237 -32.734 9.287 1.00 1.00 C ATOM 27 OE1 GLU A 2 92.449 -32.055 9.925 1.00 1.00 O ATOM 28 OE2 GLU A 2 93.580 -32.488 8.142 1.00 1.00 O ATOM 0 H GLU A 2 94.822 -36.700 9.227 1.00 1.00 H new ATOM 0 HA GLU A 2 93.451 -35.979 11.724 1.00 1.00 H new ATOM 0 HB2 GLU A 2 92.811 -35.462 8.780 1.00 1.00 H new ATOM 0 HB3 GLU A 2 91.867 -34.858 10.127 1.00 1.00 H new ATOM 0 HG2 GLU A 2 94.014 -33.759 11.017 1.00 1.00 H new ATOM 0 HG3 GLU A 2 94.792 -34.210 9.513 1.00 1.00 H new ATOM 35 N GLU A 3 92.086 -38.067 11.768 1.00 1.00 N ATOM 36 CA GLU A 3 91.145 -39.180 11.825 1.00 1.00 C ATOM 37 C GLU A 3 89.908 -38.879 10.986 1.00 1.00 C ATOM 38 O GLU A 3 89.563 -39.632 10.076 1.00 1.00 O ATOM 39 CB GLU A 3 90.732 -39.441 13.274 1.00 1.00 C ATOM 40 CG GLU A 3 91.856 -40.180 14.001 1.00 1.00 C ATOM 41 CD GLU A 3 91.687 -40.032 15.510 1.00 1.00 C ATOM 42 OE1 GLU A 3 92.173 -39.051 16.047 1.00 1.00 O ATOM 43 OE2 GLU A 3 91.073 -40.902 16.105 1.00 1.00 O ATOM 0 H GLU A 3 92.493 -37.808 12.667 1.00 1.00 H new ATOM 0 HA GLU A 3 91.635 -40.067 11.423 1.00 1.00 H new ATOM 0 HB2 GLU A 3 90.518 -38.498 13.777 1.00 1.00 H new ATOM 0 HB3 GLU A 3 89.817 -40.032 13.301 1.00 1.00 H new ATOM 0 HG2 GLU A 3 91.845 -41.235 13.727 1.00 1.00 H new ATOM 0 HG3 GLU A 3 92.823 -39.781 13.694 1.00 1.00 H new ATOM 50 N GLY A 4 89.242 -37.771 11.299 1.00 1.00 N ATOM 51 CA GLY A 4 88.043 -37.379 10.567 1.00 1.00 C ATOM 52 C GLY A 4 88.356 -36.284 9.555 1.00 1.00 C ATOM 53 O GLY A 4 89.181 -36.470 8.660 1.00 1.00 O ATOM 0 H GLY A 4 89.510 -37.133 12.049 1.00 1.00 H new ATOM 0 HA2 GLY A 4 87.626 -38.246 10.054 1.00 1.00 H new ATOM 0 HA3 GLY A 4 87.284 -37.027 11.266 1.00 1.00 H new ATOM 57 N GLY A 5 87.693 -35.141 9.701 1.00 1.00 N ATOM 58 CA GLY A 5 87.910 -34.022 8.793 1.00 1.00 C ATOM 59 C GLY A 5 87.805 -32.693 9.532 1.00 1.00 C ATOM 60 O GLY A 5 87.972 -32.634 10.750 1.00 1.00 O ATOM 0 H GLY A 5 87.006 -34.967 10.434 1.00 1.00 H new ATOM 0 HA2 GLY A 5 88.893 -34.109 8.331 1.00 1.00 H new ATOM 0 HA3 GLY A 5 87.176 -34.054 7.988 1.00 1.00 H new ATOM 64 N ASP A 6 87.528 -31.627 8.787 1.00 1.00 N ATOM 65 CA ASP A 6 87.403 -30.302 9.383 1.00 1.00 C ATOM 66 C ASP A 6 85.940 -29.975 9.660 1.00 1.00 C ATOM 67 O ASP A 6 85.600 -29.452 10.721 1.00 1.00 O ATOM 68 CB ASP A 6 87.994 -29.250 8.444 1.00 1.00 C ATOM 69 CG ASP A 6 89.175 -28.555 9.116 1.00 1.00 C ATOM 70 OD1 ASP A 6 89.042 -28.193 10.273 1.00 1.00 O ATOM 71 OD2 ASP A 6 90.192 -28.396 8.462 1.00 1.00 O ATOM 0 H ASP A 6 87.387 -31.654 7.777 1.00 1.00 H new ATOM 0 HA ASP A 6 87.949 -30.295 10.326 1.00 1.00 H new ATOM 0 HB2 ASP A 6 88.318 -29.720 7.516 1.00 1.00 H new ATOM 0 HB3 ASP A 6 87.232 -28.517 8.180 1.00 1.00 H new ATOM 76 N PHE A 7 85.076 -30.287 8.699 1.00 1.00 N ATOM 77 CA PHE A 7 83.651 -30.021 8.850 1.00 1.00 C ATOM 78 C PHE A 7 83.407 -28.541 9.131 1.00 1.00 C ATOM 79 O PHE A 7 82.645 -28.187 10.029 1.00 1.00 O ATOM 80 CB PHE A 7 83.082 -30.859 9.997 1.00 1.00 C ATOM 81 CG PHE A 7 81.600 -31.059 9.788 1.00 1.00 C ATOM 82 CD1 PHE A 7 81.145 -31.952 8.810 1.00 1.00 C ATOM 83 CD2 PHE A 7 80.681 -30.353 10.573 1.00 1.00 C ATOM 84 CE1 PHE A 7 79.771 -32.137 8.617 1.00 1.00 C ATOM 85 CE2 PHE A 7 79.307 -30.538 10.380 1.00 1.00 C ATOM 86 CZ PHE A 7 78.852 -31.431 9.401 1.00 1.00 C ATOM 0 H PHE A 7 85.336 -30.721 7.813 1.00 1.00 H new ATOM 0 HA PHE A 7 83.151 -30.290 7.919 1.00 1.00 H new ATOM 0 HB2 PHE A 7 83.587 -31.824 10.042 1.00 1.00 H new ATOM 0 HB3 PHE A 7 83.262 -30.361 10.950 1.00 1.00 H new ATOM 0 HD1 PHE A 7 81.854 -32.498 8.205 1.00 1.00 H new ATOM 0 HD2 PHE A 7 81.032 -29.665 11.328 1.00 1.00 H new ATOM 0 HE1 PHE A 7 79.420 -32.825 7.862 1.00 1.00 H new ATOM 0 HE2 PHE A 7 78.598 -29.993 10.985 1.00 1.00 H new ATOM 0 HZ PHE A 7 77.792 -31.574 9.252 1.00 1.00 H new ATOM 96 N ASP A 8 84.060 -27.683 8.355 1.00 1.00 N ATOM 97 CA ASP A 8 83.908 -26.242 8.529 1.00 1.00 C ATOM 98 C ASP A 8 84.051 -25.522 7.192 1.00 1.00 C ATOM 99 O ASP A 8 84.889 -24.633 7.042 1.00 1.00 O ATOM 100 CB ASP A 8 84.961 -25.721 9.508 1.00 1.00 C ATOM 101 CG ASP A 8 84.783 -26.387 10.868 1.00 1.00 C ATOM 102 OD1 ASP A 8 83.701 -26.282 11.421 1.00 1.00 O ATOM 103 OD2 ASP A 8 85.733 -26.994 11.337 1.00 1.00 O ATOM 0 H ASP A 8 84.695 -27.956 7.605 1.00 1.00 H new ATOM 0 HA ASP A 8 82.913 -26.046 8.928 1.00 1.00 H new ATOM 0 HB2 ASP A 8 85.960 -25.924 9.122 1.00 1.00 H new ATOM 0 HB3 ASP A 8 84.872 -24.639 9.609 1.00 1.00 H new ATOM 108 N ASN A 9 83.229 -25.913 6.224 1.00 1.00 N ATOM 109 CA ASN A 9 83.273 -25.298 4.903 1.00 1.00 C ATOM 110 C ASN A 9 81.902 -25.356 4.238 1.00 1.00 C ATOM 111 O ASN A 9 81.700 -26.096 3.275 1.00 1.00 O ATOM 112 CB ASN A 9 84.299 -26.017 4.025 1.00 1.00 C ATOM 113 CG ASN A 9 84.419 -25.312 2.678 1.00 1.00 C ATOM 114 OD1 ASN A 9 83.937 -24.190 2.519 1.00 1.00 O ATOM 115 ND2 ASN A 9 85.034 -25.906 1.693 1.00 1.00 N ATOM 0 H ASN A 9 82.529 -26.648 6.328 1.00 1.00 H new ATOM 0 HA ASN A 9 83.563 -24.254 5.020 1.00 1.00 H new ATOM 0 HB2 ASN A 9 85.268 -26.034 4.523 1.00 1.00 H new ATOM 0 HB3 ASN A 9 83.999 -27.054 3.876 1.00 1.00 H new ATOM 0 HD21 ASN A 9 85.116 -25.441 0.789 1.00 1.00 H new ATOM 0 HD22 ASN A 9 85.433 -26.835 1.827 1.00 1.00 H new ATOM 122 N TYR A 10 80.964 -24.570 4.758 1.00 1.00 N ATOM 123 CA TYR A 10 79.614 -24.539 4.208 1.00 1.00 C ATOM 124 C TYR A 10 79.144 -25.946 3.850 1.00 1.00 C ATOM 125 O TYR A 10 78.241 -26.122 3.033 1.00 1.00 O ATOM 126 CB TYR A 10 79.585 -23.654 2.961 1.00 1.00 C ATOM 127 CG TYR A 10 78.560 -22.558 3.143 1.00 1.00 C ATOM 128 CD1 TYR A 10 78.704 -21.635 4.185 1.00 1.00 C ATOM 129 CD2 TYR A 10 77.469 -22.464 2.271 1.00 1.00 C ATOM 130 CE1 TYR A 10 77.756 -20.618 4.356 1.00 1.00 C ATOM 131 CE2 TYR A 10 76.522 -21.447 2.441 1.00 1.00 C ATOM 132 CZ TYR A 10 76.665 -20.524 3.484 1.00 1.00 C ATOM 133 OH TYR A 10 75.731 -19.522 3.652 1.00 1.00 O ATOM 0 H TYR A 10 81.113 -23.950 5.554 1.00 1.00 H new ATOM 0 HA TYR A 10 78.942 -24.130 4.963 1.00 1.00 H new ATOM 0 HB2 TYR A 10 80.570 -23.220 2.787 1.00 1.00 H new ATOM 0 HB3 TYR A 10 79.341 -24.252 2.083 1.00 1.00 H new ATOM 0 HD1 TYR A 10 79.546 -21.707 4.857 1.00 1.00 H new ATOM 0 HD2 TYR A 10 77.358 -23.176 1.467 1.00 1.00 H new ATOM 0 HE1 TYR A 10 77.867 -19.906 5.161 1.00 1.00 H new ATOM 0 HE2 TYR A 10 75.681 -21.374 1.767 1.00 1.00 H new ATOM 0 HH TYR A 10 75.040 -19.600 2.961 1.00 1.00 H new ATOM 143 N TYR A 11 79.762 -26.946 4.471 1.00 1.00 N ATOM 144 CA TYR A 11 79.398 -28.334 4.214 1.00 1.00 C ATOM 145 C TYR A 11 79.210 -28.571 2.718 1.00 1.00 C ATOM 146 O TYR A 11 78.292 -29.277 2.300 1.00 1.00 O ATOM 147 CB TYR A 11 78.107 -28.681 4.958 1.00 1.00 C ATOM 148 CG TYR A 11 77.942 -27.747 6.134 1.00 1.00 C ATOM 149 CD1 TYR A 11 78.482 -28.087 7.380 1.00 1.00 C ATOM 150 CD2 TYR A 11 77.248 -26.541 5.976 1.00 1.00 C ATOM 151 CE1 TYR A 11 78.330 -27.220 8.468 1.00 1.00 C ATOM 152 CE2 TYR A 11 77.096 -25.674 7.065 1.00 1.00 C ATOM 153 CZ TYR A 11 77.637 -26.013 8.311 1.00 1.00 C ATOM 154 OH TYR A 11 77.487 -25.159 9.384 1.00 1.00 O ATOM 0 H TYR A 11 80.512 -26.822 5.151 1.00 1.00 H new ATOM 0 HA TYR A 11 80.204 -28.975 4.571 1.00 1.00 H new ATOM 0 HB2 TYR A 11 77.252 -28.594 4.287 1.00 1.00 H new ATOM 0 HB3 TYR A 11 78.138 -29.715 5.302 1.00 1.00 H new ATOM 0 HD1 TYR A 11 79.016 -29.018 7.502 1.00 1.00 H new ATOM 0 HD2 TYR A 11 76.830 -26.280 5.015 1.00 1.00 H new ATOM 0 HE1 TYR A 11 78.747 -27.482 9.429 1.00 1.00 H new ATOM 0 HE2 TYR A 11 76.561 -24.744 6.944 1.00 1.00 H new ATOM 0 HH TYR A 11 76.983 -24.367 9.104 1.00 1.00 H new ATOM 164 N GLY A 12 80.087 -27.976 1.917 1.00 1.00 N ATOM 165 CA GLY A 12 80.011 -28.128 0.469 1.00 1.00 C ATOM 166 C GLY A 12 78.565 -28.055 -0.011 1.00 1.00 C ATOM 167 O GLY A 12 78.196 -28.686 -1.001 1.00 1.00 O ATOM 0 H GLY A 12 80.854 -27.388 2.243 1.00 1.00 H new ATOM 0 HA2 GLY A 12 80.598 -27.347 -0.014 1.00 1.00 H new ATOM 0 HA3 GLY A 12 80.448 -29.083 0.176 1.00 1.00 H new ATOM 171 N ALA A 13 77.751 -27.278 0.698 1.00 1.00 N ATOM 172 CA ALA A 13 76.347 -27.129 0.336 1.00 1.00 C ATOM 173 C ALA A 13 75.668 -26.100 1.234 1.00 1.00 C ATOM 174 O ALA A 13 75.505 -24.941 0.855 1.00 1.00 O ATOM 175 CB ALA A 13 75.629 -28.474 0.463 1.00 1.00 C ATOM 0 H ALA A 13 78.037 -26.746 1.520 1.00 1.00 H new ATOM 0 HA ALA A 13 76.292 -26.785 -0.697 1.00 1.00 H new ATOM 0 HB1 ALA A 13 74.580 -28.354 0.191 1.00 1.00 H new ATOM 0 HB2 ALA A 13 76.096 -29.200 -0.203 1.00 1.00 H new ATOM 0 HB3 ALA A 13 75.698 -28.828 1.492 1.00 1.00 H new ATOM 181 N ASP A 14 75.276 -26.533 2.429 1.00 1.00 N ATOM 182 CA ASP A 14 74.615 -25.641 3.374 1.00 1.00 C ATOM 183 C ASP A 14 73.214 -25.287 2.888 1.00 1.00 C ATOM 184 O ASP A 14 72.726 -24.181 3.121 1.00 1.00 O ATOM 185 CB ASP A 14 75.437 -24.361 3.545 1.00 1.00 C ATOM 186 CG ASP A 14 75.202 -23.773 4.932 1.00 1.00 C ATOM 187 OD1 ASP A 14 74.219 -24.141 5.553 1.00 1.00 O ATOM 188 OD2 ASP A 14 76.011 -22.961 5.353 1.00 1.00 O ATOM 0 H ASP A 14 75.404 -27.488 2.763 1.00 1.00 H new ATOM 0 HA ASP A 14 74.535 -26.153 4.333 1.00 1.00 H new ATOM 0 HB2 ASP A 14 76.496 -24.578 3.407 1.00 1.00 H new ATOM 0 HB3 ASP A 14 75.158 -23.635 2.781 1.00 1.00 H new ATOM 193 N ASN A 15 72.570 -26.233 2.212 1.00 1.00 N ATOM 194 CA ASN A 15 71.224 -26.009 1.698 1.00 1.00 C ATOM 195 C ASN A 15 70.363 -27.254 1.890 1.00 1.00 C ATOM 196 O ASN A 15 69.796 -27.782 0.935 1.00 1.00 O ATOM 197 CB ASN A 15 71.285 -25.654 0.211 1.00 1.00 C ATOM 198 CG ASN A 15 69.907 -25.220 -0.278 1.00 1.00 C ATOM 199 OD1 ASN A 15 68.933 -25.285 0.472 1.00 1.00 O ATOM 200 ND2 ASN A 15 69.767 -24.779 -1.498 1.00 1.00 N ATOM 0 H ASN A 15 72.955 -27.155 2.009 1.00 1.00 H new ATOM 0 HA ASN A 15 70.777 -25.183 2.251 1.00 1.00 H new ATOM 0 HB2 ASN A 15 72.006 -24.853 0.049 1.00 1.00 H new ATOM 0 HB3 ASN A 15 71.630 -26.514 -0.363 1.00 1.00 H new ATOM 0 HD21 ASN A 15 68.849 -24.487 -1.833 1.00 1.00 H new ATOM 0 HD22 ASN A 15 70.576 -24.726 -2.117 1.00 1.00 H new ATOM 207 N GLN A 16 70.271 -27.717 3.133 1.00 1.00 N ATOM 208 CA GLN A 16 69.477 -28.900 3.440 1.00 1.00 C ATOM 209 C GLN A 16 68.005 -28.532 3.598 1.00 1.00 C ATOM 210 O GLN A 16 67.125 -29.384 3.475 1.00 1.00 O ATOM 211 CB GLN A 16 69.983 -29.551 4.728 1.00 1.00 C ATOM 212 CG GLN A 16 70.280 -28.466 5.765 1.00 1.00 C ATOM 213 CD GLN A 16 71.733 -28.017 5.649 1.00 1.00 C ATOM 214 OE1 GLN A 16 72.634 -28.849 5.551 1.00 1.00 O ATOM 215 NE2 GLN A 16 72.015 -26.743 5.655 1.00 1.00 N ATOM 0 H GLN A 16 70.733 -27.294 3.938 1.00 1.00 H new ATOM 0 HA GLN A 16 69.577 -29.604 2.614 1.00 1.00 H new ATOM 0 HB2 GLN A 16 69.237 -30.245 5.115 1.00 1.00 H new ATOM 0 HB3 GLN A 16 70.883 -30.132 4.525 1.00 1.00 H new ATOM 0 HG2 GLN A 16 69.615 -27.616 5.614 1.00 1.00 H new ATOM 0 HG3 GLN A 16 70.088 -28.847 6.768 1.00 1.00 H new ATOM 0 HE21 GLN A 16 71.266 -26.055 5.736 1.00 1.00 H new ATOM 0 HE22 GLN A 16 72.984 -26.435 5.578 1.00 1.00 H new ATOM 224 N SER A 17 67.745 -27.257 3.871 1.00 1.00 N ATOM 225 CA SER A 17 66.376 -26.787 4.044 1.00 1.00 C ATOM 226 C SER A 17 66.314 -25.266 3.932 1.00 1.00 C ATOM 227 O SER A 17 65.745 -24.594 4.792 1.00 1.00 O ATOM 228 CB SER A 17 65.844 -27.222 5.409 1.00 1.00 C ATOM 229 OG SER A 17 64.423 -27.177 5.395 1.00 1.00 O ATOM 0 H SER A 17 68.459 -26.536 3.976 1.00 1.00 H new ATOM 0 HA SER A 17 65.759 -27.223 3.258 1.00 1.00 H new ATOM 0 HB2 SER A 17 66.185 -28.231 5.640 1.00 1.00 H new ATOM 0 HB3 SER A 17 66.232 -26.567 6.189 1.00 1.00 H new ATOM 0 HG SER A 17 64.120 -26.300 5.711 1.00 1.00 H new ATOM 235 N GLU A 18 66.902 -24.732 2.867 1.00 1.00 N ATOM 236 CA GLU A 18 66.907 -23.290 2.653 1.00 1.00 C ATOM 237 C GLU A 18 65.853 -22.897 1.623 1.00 1.00 C ATOM 238 O GLU A 18 64.978 -22.077 1.898 1.00 1.00 O ATOM 239 CB GLU A 18 68.288 -22.838 2.172 1.00 1.00 C ATOM 240 CG GLU A 18 68.759 -21.652 3.014 1.00 1.00 C ATOM 241 CD GLU A 18 70.103 -21.148 2.498 1.00 1.00 C ATOM 242 OE1 GLU A 18 71.001 -21.961 2.349 1.00 1.00 O ATOM 243 OE2 GLU A 18 70.215 -19.956 2.261 1.00 1.00 O ATOM 0 H GLU A 18 67.378 -25.271 2.144 1.00 1.00 H new ATOM 0 HA GLU A 18 66.674 -22.801 3.599 1.00 1.00 H new ATOM 0 HB2 GLU A 18 69.000 -23.660 2.252 1.00 1.00 H new ATOM 0 HB3 GLU A 18 68.244 -22.556 1.120 1.00 1.00 H new ATOM 0 HG2 GLU A 18 68.021 -20.851 2.974 1.00 1.00 H new ATOM 0 HG3 GLU A 18 68.850 -21.950 4.059 1.00 1.00 H new ATOM 250 N CYS A 19 65.945 -23.488 0.435 1.00 1.00 N ATOM 251 CA CYS A 19 64.994 -23.191 -0.629 1.00 1.00 C ATOM 252 C CYS A 19 63.954 -24.302 -0.744 1.00 1.00 C ATOM 253 O CYS A 19 62.961 -24.165 -1.457 1.00 1.00 O ATOM 254 CB CYS A 19 65.731 -23.040 -1.961 1.00 1.00 C ATOM 255 SG CYS A 19 65.127 -24.284 -3.130 1.00 1.00 S ATOM 0 H CYS A 19 66.662 -24.170 0.187 1.00 1.00 H new ATOM 0 HA CYS A 19 64.487 -22.257 -0.387 1.00 1.00 H new ATOM 0 HB2 CYS A 19 65.574 -22.040 -2.364 1.00 1.00 H new ATOM 0 HB3 CYS A 19 66.804 -23.158 -1.810 1.00 1.00 H new ATOM 0 HG CYS A 19 63.838 -24.404 -3.009 1.00 1.00 H new ATOM 261 N GLU A 20 64.192 -25.402 -0.037 1.00 1.00 N ATOM 262 CA GLU A 20 63.269 -26.531 -0.067 1.00 1.00 C ATOM 263 C GLU A 20 62.121 -26.311 0.913 1.00 1.00 C ATOM 264 O GLU A 20 61.411 -27.250 1.273 1.00 1.00 O ATOM 265 CB GLU A 20 64.009 -27.821 0.293 1.00 1.00 C ATOM 266 CG GLU A 20 65.118 -28.076 -0.731 1.00 1.00 C ATOM 267 CD GLU A 20 65.824 -29.390 -0.417 1.00 1.00 C ATOM 268 OE1 GLU A 20 65.181 -30.271 0.129 1.00 1.00 O ATOM 269 OE2 GLU A 20 66.999 -29.497 -0.728 1.00 1.00 O ATOM 0 H GLU A 20 65.009 -25.536 0.559 1.00 1.00 H new ATOM 0 HA GLU A 20 62.861 -26.615 -1.074 1.00 1.00 H new ATOM 0 HB2 GLU A 20 64.434 -27.742 1.293 1.00 1.00 H new ATOM 0 HB3 GLU A 20 63.313 -28.660 0.308 1.00 1.00 H new ATOM 0 HG2 GLU A 20 64.696 -28.111 -1.735 1.00 1.00 H new ATOM 0 HG3 GLU A 20 65.835 -27.255 -0.715 1.00 1.00 H new ATOM 276 N TYR A 21 61.944 -25.065 1.338 1.00 1.00 N ATOM 277 CA TYR A 21 60.877 -24.733 2.276 1.00 1.00 C ATOM 278 C TYR A 21 59.552 -24.554 1.540 1.00 1.00 C ATOM 279 O TYR A 21 58.532 -24.233 2.149 1.00 1.00 O ATOM 280 CB TYR A 21 61.224 -23.446 3.027 1.00 1.00 C ATOM 281 CG TYR A 21 61.352 -23.743 4.502 1.00 1.00 C ATOM 282 CD1 TYR A 21 60.209 -23.787 5.308 1.00 1.00 C ATOM 283 CD2 TYR A 21 62.613 -23.973 5.062 1.00 1.00 C ATOM 284 CE1 TYR A 21 60.327 -24.062 6.676 1.00 1.00 C ATOM 285 CE2 TYR A 21 62.732 -24.248 6.431 1.00 1.00 C ATOM 286 CZ TYR A 21 61.589 -24.292 7.237 1.00 1.00 C ATOM 287 OH TYR A 21 61.706 -24.563 8.584 1.00 1.00 O ATOM 0 H TYR A 21 62.520 -24.274 1.051 1.00 1.00 H new ATOM 0 HA TYR A 21 60.776 -25.553 2.987 1.00 1.00 H new ATOM 0 HB2 TYR A 21 62.157 -23.031 2.646 1.00 1.00 H new ATOM 0 HB3 TYR A 21 60.450 -22.696 2.862 1.00 1.00 H new ATOM 0 HD1 TYR A 21 59.236 -23.609 4.875 1.00 1.00 H new ATOM 0 HD2 TYR A 21 63.495 -23.939 4.439 1.00 1.00 H new ATOM 0 HE1 TYR A 21 59.445 -24.097 7.298 1.00 1.00 H new ATOM 0 HE2 TYR A 21 63.705 -24.426 6.864 1.00 1.00 H new ATOM 0 HH TYR A 21 62.650 -24.699 8.810 1.00 1.00 H new ATOM 297 N THR A 22 59.577 -24.764 0.228 1.00 1.00 N ATOM 298 CA THR A 22 58.373 -24.623 -0.581 1.00 1.00 C ATOM 299 C THR A 22 58.064 -23.150 -0.831 1.00 1.00 C ATOM 300 O THR A 22 56.909 -22.728 -0.767 1.00 1.00 O ATOM 301 CB THR A 22 57.187 -25.281 0.128 1.00 1.00 C ATOM 302 OG1 THR A 22 57.660 -26.330 0.963 1.00 1.00 O ATOM 303 CG2 THR A 22 56.220 -25.851 -0.911 1.00 1.00 C ATOM 0 H THR A 22 60.412 -25.031 -0.294 1.00 1.00 H new ATOM 0 HA THR A 22 58.543 -25.115 -1.539 1.00 1.00 H new ATOM 0 HB THR A 22 56.668 -24.538 0.734 1.00 1.00 H new ATOM 0 HG1 THR A 22 56.902 -26.752 1.419 1.00 1.00 H new ATOM 0 HG21 THR A 22 55.376 -26.319 -0.404 1.00 1.00 H new ATOM 0 HG22 THR A 22 55.858 -25.046 -1.551 1.00 1.00 H new ATOM 0 HG23 THR A 22 56.736 -26.594 -1.519 1.00 1.00 H new ATOM 311 N ASP A 23 59.104 -22.373 -1.114 1.00 1.00 N ATOM 312 CA ASP A 23 58.932 -20.947 -1.372 1.00 1.00 C ATOM 313 C ASP A 23 59.965 -20.457 -2.381 1.00 1.00 C ATOM 314 O ASP A 23 60.232 -19.259 -2.478 1.00 1.00 O ATOM 315 CB ASP A 23 59.075 -20.160 -0.068 1.00 1.00 C ATOM 316 CG ASP A 23 57.908 -19.190 0.087 1.00 1.00 C ATOM 317 OD1 ASP A 23 57.868 -18.221 -0.653 1.00 1.00 O ATOM 318 OD2 ASP A 23 57.073 -19.431 0.943 1.00 1.00 O ATOM 0 H ASP A 23 60.068 -22.703 -1.170 1.00 1.00 H new ATOM 0 HA ASP A 23 57.935 -20.788 -1.784 1.00 1.00 H new ATOM 0 HB2 ASP A 23 59.104 -20.846 0.779 1.00 1.00 H new ATOM 0 HB3 ASP A 23 60.017 -19.612 -0.066 1.00 1.00 H new ATOM 323 N TRP A 24 60.544 -21.390 -3.129 1.00 1.00 N ATOM 324 CA TRP A 24 61.547 -21.042 -4.129 1.00 1.00 C ATOM 325 C TRP A 24 60.916 -20.958 -5.515 1.00 1.00 C ATOM 326 O TRP A 24 61.560 -20.536 -6.476 1.00 1.00 O ATOM 327 CB TRP A 24 62.662 -22.087 -4.135 1.00 1.00 C ATOM 328 CG TRP A 24 62.158 -23.352 -4.753 1.00 1.00 C ATOM 329 CD1 TRP A 24 61.281 -24.203 -4.173 1.00 1.00 C ATOM 330 CD2 TRP A 24 62.481 -23.922 -6.054 1.00 1.00 C ATOM 331 NE1 TRP A 24 61.046 -25.259 -5.035 1.00 1.00 N ATOM 332 CE2 TRP A 24 61.762 -25.130 -6.208 1.00 1.00 C ATOM 333 CE3 TRP A 24 63.321 -23.510 -7.105 1.00 1.00 C ATOM 334 CZ2 TRP A 24 61.872 -25.905 -7.363 1.00 1.00 C ATOM 335 CZ3 TRP A 24 63.432 -24.287 -8.270 1.00 1.00 C ATOM 336 CH2 TRP A 24 62.710 -25.481 -8.399 1.00 1.00 C ATOM 0 H TRP A 24 60.338 -22.387 -3.063 1.00 1.00 H new ATOM 0 HA TRP A 24 61.965 -20.068 -3.874 1.00 1.00 H new ATOM 0 HB2 TRP A 24 63.521 -21.714 -4.693 1.00 1.00 H new ATOM 0 HB3 TRP A 24 63.002 -22.277 -3.117 1.00 1.00 H new ATOM 0 HD1 TRP A 24 60.837 -24.078 -3.196 1.00 1.00 H new ATOM 0 HE1 TRP A 24 60.420 -26.038 -4.829 1.00 1.00 H new ATOM 0 HE3 TRP A 24 63.883 -22.592 -7.016 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 61.314 -26.825 -7.456 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 64.078 -23.962 -9.072 1.00 1.00 H new ATOM 0 HH2 TRP A 24 62.801 -26.073 -9.298 1.00 1.00 H new ATOM 347 N LYS A 25 59.654 -21.365 -5.612 1.00 1.00 N ATOM 348 CA LYS A 25 58.946 -21.333 -6.886 1.00 1.00 C ATOM 349 C LYS A 25 58.014 -20.127 -6.951 1.00 1.00 C ATOM 350 O LYS A 25 57.183 -20.020 -7.853 1.00 1.00 O ATOM 351 CB LYS A 25 58.135 -22.619 -7.072 1.00 1.00 C ATOM 352 CG LYS A 25 57.602 -23.098 -5.718 1.00 1.00 C ATOM 353 CD LYS A 25 56.779 -21.985 -5.066 1.00 1.00 C ATOM 354 CE LYS A 25 55.923 -22.574 -3.943 1.00 1.00 C ATOM 355 NZ LYS A 25 54.589 -22.958 -4.484 1.00 1.00 N ATOM 0 H LYS A 25 59.104 -21.718 -4.829 1.00 1.00 H new ATOM 0 HA LYS A 25 59.683 -21.253 -7.685 1.00 1.00 H new ATOM 0 HB2 LYS A 25 57.306 -22.441 -7.757 1.00 1.00 H new ATOM 0 HB3 LYS A 25 58.759 -23.391 -7.521 1.00 1.00 H new ATOM 0 HG2 LYS A 25 56.987 -23.988 -5.852 1.00 1.00 H new ATOM 0 HG3 LYS A 25 58.431 -23.379 -5.068 1.00 1.00 H new ATOM 0 HD2 LYS A 25 57.440 -21.215 -4.668 1.00 1.00 H new ATOM 0 HD3 LYS A 25 56.142 -21.506 -5.810 1.00 1.00 H new ATOM 0 HE2 LYS A 25 56.417 -23.445 -3.513 1.00 1.00 H new ATOM 0 HE3 LYS A 25 55.806 -21.846 -3.140 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 54.007 -23.358 -3.721 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 54.117 -22.117 -4.874 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 54.710 -23.667 -5.235 1.00 1.00 H new ATOM 369 N SER A 26 58.159 -19.221 -5.990 1.00 1.00 N ATOM 370 CA SER A 26 57.325 -18.026 -5.948 1.00 1.00 C ATOM 371 C SER A 26 57.960 -16.960 -5.062 1.00 1.00 C ATOM 372 O SER A 26 58.793 -16.176 -5.518 1.00 1.00 O ATOM 373 CB SER A 26 55.937 -18.377 -5.411 1.00 1.00 C ATOM 374 OG SER A 26 55.170 -18.974 -6.447 1.00 1.00 O ATOM 0 H SER A 26 58.841 -19.290 -5.235 1.00 1.00 H new ATOM 0 HA SER A 26 57.234 -17.634 -6.961 1.00 1.00 H new ATOM 0 HB2 SER A 26 56.023 -19.061 -4.567 1.00 1.00 H new ATOM 0 HB3 SER A 26 55.438 -17.480 -5.045 1.00 1.00 H new ATOM 0 HG SER A 26 55.757 -19.208 -7.196 1.00 1.00 H new ATOM 380 N SER A 27 57.562 -16.936 -3.794 1.00 1.00 N ATOM 381 CA SER A 27 58.100 -15.961 -2.853 1.00 1.00 C ATOM 382 C SER A 27 57.847 -14.541 -3.350 1.00 1.00 C ATOM 383 O SER A 27 58.342 -13.573 -2.771 1.00 1.00 O ATOM 384 CB SER A 27 59.602 -16.181 -2.676 1.00 1.00 C ATOM 385 OG SER A 27 60.299 -15.006 -3.071 1.00 1.00 O ATOM 0 H SER A 27 56.874 -17.576 -3.397 1.00 1.00 H new ATOM 0 HA SER A 27 57.598 -16.093 -1.895 1.00 1.00 H new ATOM 0 HB2 SER A 27 59.826 -16.418 -1.636 1.00 1.00 H new ATOM 0 HB3 SER A 27 59.930 -17.031 -3.275 1.00 1.00 H new ATOM 0 HG SER A 27 59.981 -14.244 -2.543 1.00 1.00 H new ATOM 391 N GLY A 28 57.075 -14.424 -4.426 1.00 1.00 N ATOM 392 CA GLY A 28 56.764 -13.116 -4.991 1.00 1.00 C ATOM 393 C GLY A 28 55.405 -13.129 -5.682 1.00 1.00 C ATOM 394 O GLY A 28 55.229 -12.519 -6.737 1.00 1.00 O ATOM 0 H GLY A 28 56.657 -15.212 -4.920 1.00 1.00 H new ATOM 0 HA2 GLY A 28 56.767 -12.365 -4.201 1.00 1.00 H new ATOM 0 HA3 GLY A 28 57.537 -12.831 -5.705 1.00 1.00 H new ATOM 398 N ALA A 29 54.447 -13.828 -5.082 1.00 1.00 N ATOM 399 CA ALA A 29 53.107 -13.912 -5.651 1.00 1.00 C ATOM 400 C ALA A 29 52.073 -14.145 -4.553 1.00 1.00 C ATOM 401 O ALA A 29 50.920 -13.734 -4.678 1.00 1.00 O ATOM 402 CB ALA A 29 53.041 -15.053 -6.667 1.00 1.00 C ATOM 0 H ALA A 29 54.572 -14.341 -4.209 1.00 1.00 H new ATOM 0 HA ALA A 29 52.885 -12.969 -6.150 1.00 1.00 H new ATOM 0 HB1 ALA A 29 52.037 -15.109 -7.087 1.00 1.00 H new ATOM 0 HB2 ALA A 29 53.759 -14.870 -7.466 1.00 1.00 H new ATOM 0 HB3 ALA A 29 53.280 -15.995 -6.173 1.00 1.00 H new ATOM 408 N LEU A 30 52.497 -14.806 -3.479 1.00 1.00 N ATOM 409 CA LEU A 30 51.603 -15.092 -2.361 1.00 1.00 C ATOM 410 C LEU A 30 51.954 -14.222 -1.157 1.00 1.00 C ATOM 411 O LEU A 30 51.189 -14.138 -0.198 1.00 1.00 O ATOM 412 CB LEU A 30 51.707 -16.568 -1.974 1.00 1.00 C ATOM 413 CG LEU A 30 51.573 -17.435 -3.226 1.00 1.00 C ATOM 414 CD1 LEU A 30 52.959 -17.899 -3.677 1.00 1.00 C ATOM 415 CD2 LEU A 30 50.706 -18.655 -2.911 1.00 1.00 C ATOM 0 H LEU A 30 53.449 -15.152 -3.359 1.00 1.00 H new ATOM 0 HA LEU A 30 50.582 -14.869 -2.671 1.00 1.00 H new ATOM 0 HB2 LEU A 30 52.663 -16.760 -1.486 1.00 1.00 H new ATOM 0 HB3 LEU A 30 50.926 -16.823 -1.257 1.00 1.00 H new ATOM 0 HG LEU A 30 51.108 -16.853 -4.022 1.00 1.00 H new ATOM 0 HD11 LEU A 30 52.863 -18.517 -4.570 1.00 1.00 H new ATOM 0 HD12 LEU A 30 53.578 -17.031 -3.902 1.00 1.00 H new ATOM 0 HD13 LEU A 30 53.425 -18.480 -2.881 1.00 1.00 H new ATOM 0 HD21 LEU A 30 50.610 -19.273 -3.803 1.00 1.00 H new ATOM 0 HD22 LEU A 30 51.171 -19.236 -2.115 1.00 1.00 H new ATOM 0 HD23 LEU A 30 49.718 -18.326 -2.590 1.00 1.00 H new ATOM 427 N ILE A 31 53.116 -13.578 -1.216 1.00 1.00 N ATOM 428 CA ILE A 31 53.557 -12.720 -0.123 1.00 1.00 C ATOM 429 C ILE A 31 52.754 -11.413 -0.081 1.00 1.00 C ATOM 430 O ILE A 31 52.471 -10.901 1.002 1.00 1.00 O ATOM 431 CB ILE A 31 55.059 -12.427 -0.257 1.00 1.00 C ATOM 432 CG1 ILE A 31 55.846 -13.495 0.508 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.391 -11.049 0.326 1.00 1.00 C ATOM 434 CD1 ILE A 31 55.451 -14.883 0.000 1.00 1.00 C ATOM 0 H ILE A 31 53.764 -13.633 -2.002 1.00 1.00 H new ATOM 0 HA ILE A 31 53.381 -13.246 0.815 1.00 1.00 H new ATOM 0 HB ILE A 31 55.329 -12.439 -1.313 1.00 1.00 H new ATOM 0 HG12 ILE A 31 56.916 -13.338 0.374 1.00 1.00 H new ATOM 0 HG13 ILE A 31 55.643 -13.416 1.576 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.459 -10.858 0.223 1.00 1.00 H new ATOM 0 HG22 ILE A 31 54.832 -10.283 -0.211 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.119 -11.025 1.381 1.00 1.00 H new ATOM 0 HD11 ILE A 31 56.011 -15.643 0.545 1.00 1.00 H new ATOM 0 HD12 ILE A 31 54.383 -15.038 0.157 1.00 1.00 H new ATOM 0 HD13 ILE A 31 55.676 -14.959 -1.064 1.00 1.00 H new ATOM 446 N PRO A 32 52.382 -10.859 -1.213 1.00 1.00 N ATOM 447 CA PRO A 32 51.605 -9.596 -1.260 1.00 1.00 C ATOM 448 C PRO A 32 50.101 -9.843 -1.174 1.00 1.00 C ATOM 449 O PRO A 32 49.301 -9.040 -1.654 1.00 1.00 O ATOM 450 CB PRO A 32 51.987 -9.003 -2.613 1.00 1.00 C ATOM 451 CG PRO A 32 52.318 -10.172 -3.488 1.00 1.00 C ATOM 452 CD PRO A 32 52.650 -11.359 -2.573 1.00 1.00 C ATOM 0 HA PRO A 32 51.827 -8.939 -0.419 1.00 1.00 H new ATOM 0 HB2 PRO A 32 51.166 -8.421 -3.031 1.00 1.00 H new ATOM 0 HB3 PRO A 32 52.839 -8.330 -2.519 1.00 1.00 H new ATOM 0 HG2 PRO A 32 51.477 -10.414 -4.138 1.00 1.00 H new ATOM 0 HG3 PRO A 32 53.164 -9.939 -4.134 1.00 1.00 H new ATOM 0 HD2 PRO A 32 52.032 -12.226 -2.807 1.00 1.00 H new ATOM 0 HD3 PRO A 32 53.689 -11.669 -2.685 1.00 1.00 H new ATOM 460 N ALA A 33 49.729 -10.963 -0.561 1.00 1.00 N ATOM 461 CA ALA A 33 48.320 -11.317 -0.416 1.00 1.00 C ATOM 462 C ALA A 33 48.015 -11.724 1.023 1.00 1.00 C ATOM 463 O ALA A 33 46.886 -12.095 1.345 1.00 1.00 O ATOM 464 CB ALA A 33 47.975 -12.471 -1.358 1.00 1.00 C ATOM 0 H ALA A 33 50.379 -11.638 -0.159 1.00 1.00 H new ATOM 0 HA ALA A 33 47.716 -10.446 -0.670 1.00 1.00 H new ATOM 0 HB1 ALA A 33 46.922 -12.731 -1.245 1.00 1.00 H new ATOM 0 HB2 ALA A 33 48.166 -12.169 -2.388 1.00 1.00 H new ATOM 0 HB3 ALA A 33 48.590 -13.337 -1.113 1.00 1.00 H new ATOM 470 N ILE A 34 49.025 -11.650 1.882 1.00 1.00 N ATOM 471 CA ILE A 34 48.850 -12.012 3.284 1.00 1.00 C ATOM 472 C ILE A 34 49.663 -11.086 4.184 1.00 1.00 C ATOM 473 O ILE A 34 49.175 -10.621 5.213 1.00 1.00 O ATOM 474 CB ILE A 34 49.289 -13.458 3.508 1.00 1.00 C ATOM 475 CG1 ILE A 34 50.771 -13.600 3.158 1.00 1.00 C ATOM 476 CG2 ILE A 34 48.462 -14.386 2.616 1.00 1.00 C ATOM 477 CD1 ILE A 34 51.079 -15.063 2.841 1.00 1.00 C ATOM 0 H ILE A 34 49.967 -11.345 1.635 1.00 1.00 H new ATOM 0 HA ILE A 34 47.795 -11.909 3.536 1.00 1.00 H new ATOM 0 HB ILE A 34 49.135 -13.727 4.553 1.00 1.00 H new ATOM 0 HG12 ILE A 34 51.016 -12.971 2.302 1.00 1.00 H new ATOM 0 HG13 ILE A 34 51.387 -13.259 3.990 1.00 1.00 H new ATOM 0 HG21 ILE A 34 48.775 -15.418 2.775 1.00 1.00 H new ATOM 0 HG22 ILE A 34 47.406 -14.284 2.865 1.00 1.00 H new ATOM 0 HG23 ILE A 34 48.615 -14.118 1.571 1.00 1.00 H new ATOM 0 HD11 ILE A 34 52.135 -15.167 2.591 1.00 1.00 H new ATOM 0 HD12 ILE A 34 50.849 -15.680 3.710 1.00 1.00 H new ATOM 0 HD13 ILE A 34 50.473 -15.388 1.995 1.00 1.00 H new ATOM 489 N TYR A 35 50.905 -10.825 3.788 1.00 1.00 N ATOM 490 CA TYR A 35 51.777 -9.954 4.566 1.00 1.00 C ATOM 491 C TYR A 35 51.448 -8.489 4.299 1.00 1.00 C ATOM 492 O TYR A 35 52.304 -7.615 4.435 1.00 1.00 O ATOM 493 CB TYR A 35 53.240 -10.226 4.211 1.00 1.00 C ATOM 494 CG TYR A 35 53.694 -11.493 4.895 1.00 1.00 C ATOM 495 CD1 TYR A 35 53.902 -11.506 6.279 1.00 1.00 C ATOM 496 CD2 TYR A 35 53.904 -12.657 4.145 1.00 1.00 C ATOM 497 CE1 TYR A 35 54.321 -12.682 6.914 1.00 1.00 C ATOM 498 CE2 TYR A 35 54.321 -13.833 4.780 1.00 1.00 C ATOM 499 CZ TYR A 35 54.531 -13.845 6.164 1.00 1.00 C ATOM 500 OH TYR A 35 54.943 -15.004 6.789 1.00 1.00 O ATOM 0 H TYR A 35 51.327 -11.201 2.939 1.00 1.00 H new ATOM 0 HA TYR A 35 51.617 -10.162 5.624 1.00 1.00 H new ATOM 0 HB2 TYR A 35 53.352 -10.322 3.131 1.00 1.00 H new ATOM 0 HB3 TYR A 35 53.863 -9.388 4.523 1.00 1.00 H new ATOM 0 HD1 TYR A 35 53.739 -10.609 6.858 1.00 1.00 H new ATOM 0 HD2 TYR A 35 53.744 -12.647 3.077 1.00 1.00 H new ATOM 0 HE1 TYR A 35 54.482 -12.691 7.982 1.00 1.00 H new ATOM 0 HE2 TYR A 35 54.481 -14.731 4.202 1.00 1.00 H new ATOM 0 HH TYR A 35 55.040 -15.717 6.124 1.00 1.00 H new ATOM 510 N MET A 36 50.202 -8.228 3.915 1.00 1.00 N ATOM 511 CA MET A 36 49.769 -6.865 3.631 1.00 1.00 C ATOM 512 C MET A 36 48.385 -6.608 4.219 1.00 1.00 C ATOM 513 O MET A 36 48.206 -5.706 5.037 1.00 1.00 O ATOM 514 CB MET A 36 49.733 -6.633 2.119 1.00 1.00 C ATOM 515 CG MET A 36 51.054 -7.092 1.498 1.00 1.00 C ATOM 516 SD MET A 36 52.414 -6.116 2.186 1.00 1.00 S ATOM 517 CE MET A 36 53.755 -7.242 1.726 1.00 1.00 C ATOM 0 H MET A 36 49.479 -8.937 3.794 1.00 1.00 H new ATOM 0 HA MET A 36 50.479 -6.176 4.088 1.00 1.00 H new ATOM 0 HB2 MET A 36 48.901 -7.181 1.676 1.00 1.00 H new ATOM 0 HB3 MET A 36 49.567 -5.577 1.907 1.00 1.00 H new ATOM 0 HG2 MET A 36 51.214 -8.151 1.699 1.00 1.00 H new ATOM 0 HG3 MET A 36 51.019 -6.975 0.415 1.00 1.00 H new ATOM 0 HE1 MET A 36 54.686 -6.904 2.181 1.00 1.00 H new ATOM 0 HE2 MET A 36 53.523 -8.247 2.078 1.00 1.00 H new ATOM 0 HE3 MET A 36 53.864 -7.254 0.642 1.00 1.00 H new ATOM 527 N LEU A 37 47.411 -7.407 3.795 1.00 1.00 N ATOM 528 CA LEU A 37 46.045 -7.257 4.286 1.00 1.00 C ATOM 529 C LEU A 37 45.955 -7.660 5.754 1.00 1.00 C ATOM 530 O LEU A 37 44.864 -7.750 6.317 1.00 1.00 O ATOM 531 CB LEU A 37 45.096 -8.125 3.458 1.00 1.00 C ATOM 532 CG LEU A 37 45.115 -7.658 2.001 1.00 1.00 C ATOM 533 CD1 LEU A 37 45.077 -8.875 1.075 1.00 1.00 C ATOM 534 CD2 LEU A 37 43.895 -6.775 1.733 1.00 1.00 C ATOM 0 H LEU A 37 47.540 -8.159 3.118 1.00 1.00 H new ATOM 0 HA LEU A 37 45.757 -6.210 4.191 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.396 -9.171 3.519 1.00 1.00 H new ATOM 0 HB3 LEU A 37 44.084 -8.060 3.858 1.00 1.00 H new ATOM 0 HG LEU A 37 46.025 -7.087 1.814 1.00 1.00 H new ATOM 0 HD11 LEU A 37 45.090 -8.543 0.037 1.00 1.00 H new ATOM 0 HD12 LEU A 37 45.946 -9.505 1.266 1.00 1.00 H new ATOM 0 HD13 LEU A 37 44.167 -9.446 1.261 1.00 1.00 H new ATOM 0 HD21 LEU A 37 43.908 -6.442 0.695 1.00 1.00 H new ATOM 0 HD22 LEU A 37 42.985 -7.345 1.920 1.00 1.00 H new ATOM 0 HD23 LEU A 37 43.922 -5.908 2.393 1.00 1.00 H new ATOM 546 N VAL A 38 47.109 -7.901 6.369 1.00 1.00 N ATOM 547 CA VAL A 38 47.146 -8.294 7.774 1.00 1.00 C ATOM 548 C VAL A 38 48.269 -7.564 8.505 1.00 1.00 C ATOM 549 O VAL A 38 48.040 -6.919 9.529 1.00 1.00 O ATOM 550 CB VAL A 38 47.358 -9.803 7.888 1.00 1.00 C ATOM 551 CG1 VAL A 38 47.156 -10.240 9.340 1.00 1.00 C ATOM 552 CG2 VAL A 38 46.350 -10.528 6.993 1.00 1.00 C ATOM 0 H VAL A 38 48.023 -7.832 5.922 1.00 1.00 H new ATOM 0 HA VAL A 38 46.194 -8.025 8.232 1.00 1.00 H new ATOM 0 HB VAL A 38 48.371 -10.052 7.572 1.00 1.00 H new ATOM 0 HG11 VAL A 38 47.307 -11.316 9.420 1.00 1.00 H new ATOM 0 HG12 VAL A 38 47.873 -9.724 9.978 1.00 1.00 H new ATOM 0 HG13 VAL A 38 46.143 -9.991 9.657 1.00 1.00 H new ATOM 0 HG21 VAL A 38 46.500 -11.605 7.074 1.00 1.00 H new ATOM 0 HG22 VAL A 38 45.337 -10.278 7.309 1.00 1.00 H new ATOM 0 HG23 VAL A 38 46.494 -10.218 5.958 1.00 1.00 H new ATOM 562 N PHE A 39 49.482 -7.669 7.972 1.00 1.00 N ATOM 563 CA PHE A 39 50.632 -7.014 8.584 1.00 1.00 C ATOM 564 C PHE A 39 50.354 -5.530 8.798 1.00 1.00 C ATOM 565 O PHE A 39 50.731 -4.960 9.822 1.00 1.00 O ATOM 566 CB PHE A 39 51.863 -7.180 7.690 1.00 1.00 C ATOM 567 CG PHE A 39 53.096 -7.315 8.551 1.00 1.00 C ATOM 568 CD1 PHE A 39 53.353 -8.517 9.222 1.00 1.00 C ATOM 569 CD2 PHE A 39 53.982 -6.239 8.680 1.00 1.00 C ATOM 570 CE1 PHE A 39 54.497 -8.642 10.020 1.00 1.00 C ATOM 571 CE2 PHE A 39 55.126 -6.364 9.479 1.00 1.00 C ATOM 572 CZ PHE A 39 55.382 -7.565 10.149 1.00 1.00 C ATOM 0 H PHE A 39 49.693 -8.197 7.125 1.00 1.00 H new ATOM 0 HA PHE A 39 50.819 -7.480 9.552 1.00 1.00 H new ATOM 0 HB2 PHE A 39 51.750 -8.060 7.057 1.00 1.00 H new ATOM 0 HB3 PHE A 39 51.962 -6.321 7.026 1.00 1.00 H new ATOM 0 HD1 PHE A 39 52.669 -9.347 9.124 1.00 1.00 H new ATOM 0 HD2 PHE A 39 53.784 -5.312 8.163 1.00 1.00 H new ATOM 0 HE1 PHE A 39 54.697 -9.570 10.536 1.00 1.00 H new ATOM 0 HE2 PHE A 39 55.810 -5.534 9.578 1.00 1.00 H new ATOM 0 HZ PHE A 39 56.263 -7.661 10.766 1.00 1.00 H new ATOM 582 N LEU A 40 49.692 -4.911 7.827 1.00 1.00 N ATOM 583 CA LEU A 40 49.369 -3.491 7.919 1.00 1.00 C ATOM 584 C LEU A 40 47.910 -3.300 8.324 1.00 1.00 C ATOM 585 O LEU A 40 47.215 -2.440 7.783 1.00 1.00 O ATOM 586 CB LEU A 40 49.621 -2.809 6.574 1.00 1.00 C ATOM 587 CG LEU A 40 51.127 -2.670 6.348 1.00 1.00 C ATOM 588 CD1 LEU A 40 51.432 -2.787 4.853 1.00 1.00 C ATOM 589 CD2 LEU A 40 51.595 -1.305 6.857 1.00 1.00 C ATOM 0 H LEU A 40 49.370 -5.366 6.973 1.00 1.00 H new ATOM 0 HA LEU A 40 50.008 -3.040 8.678 1.00 1.00 H new ATOM 0 HB2 LEU A 40 49.174 -3.392 5.769 1.00 1.00 H new ATOM 0 HB3 LEU A 40 49.148 -1.827 6.557 1.00 1.00 H new ATOM 0 HG LEU A 40 51.649 -3.459 6.889 1.00 1.00 H new ATOM 0 HD11 LEU A 40 52.505 -2.688 4.692 1.00 1.00 H new ATOM 0 HD12 LEU A 40 51.098 -3.759 4.489 1.00 1.00 H new ATOM 0 HD13 LEU A 40 50.910 -1.998 4.312 1.00 1.00 H new ATOM 0 HD21 LEU A 40 52.668 -1.205 6.696 1.00 1.00 H new ATOM 0 HD22 LEU A 40 51.072 -0.516 6.316 1.00 1.00 H new ATOM 0 HD23 LEU A 40 51.378 -1.220 7.922 1.00 1.00 H new ATOM 601 N LEU A 41 47.455 -4.105 9.278 1.00 1.00 N ATOM 602 CA LEU A 41 46.077 -4.014 9.748 1.00 1.00 C ATOM 603 C LEU A 41 45.946 -4.641 11.133 1.00 1.00 C ATOM 604 O LEU A 41 45.659 -3.953 12.112 1.00 1.00 O ATOM 605 CB LEU A 41 45.144 -4.725 8.758 1.00 1.00 C ATOM 606 CG LEU A 41 43.732 -4.853 9.349 1.00 1.00 C ATOM 607 CD1 LEU A 41 43.264 -3.496 9.881 1.00 1.00 C ATOM 608 CD2 LEU A 41 42.771 -5.322 8.257 1.00 1.00 C ATOM 0 H LEU A 41 48.015 -4.823 9.738 1.00 1.00 H new ATOM 0 HA LEU A 41 45.795 -2.963 9.815 1.00 1.00 H new ATOM 0 HB2 LEU A 41 45.104 -4.168 7.822 1.00 1.00 H new ATOM 0 HB3 LEU A 41 45.538 -5.714 8.524 1.00 1.00 H new ATOM 0 HG LEU A 41 43.749 -5.574 10.166 1.00 1.00 H new ATOM 0 HD11 LEU A 41 42.262 -3.595 10.298 1.00 1.00 H new ATOM 0 HD12 LEU A 41 43.948 -3.154 10.657 1.00 1.00 H new ATOM 0 HD13 LEU A 41 43.248 -2.772 9.067 1.00 1.00 H new ATOM 0 HD21 LEU A 41 41.767 -5.415 8.671 1.00 1.00 H new ATOM 0 HD22 LEU A 41 42.763 -4.596 7.444 1.00 1.00 H new ATOM 0 HD23 LEU A 41 43.097 -6.290 7.876 1.00 1.00 H new ATOM 620 N GLY A 42 46.160 -5.950 11.207 1.00 1.00 N ATOM 621 CA GLY A 42 46.063 -6.659 12.479 1.00 1.00 C ATOM 622 C GLY A 42 46.854 -5.937 13.564 1.00 1.00 C ATOM 623 O GLY A 42 46.698 -6.219 14.751 1.00 1.00 O ATOM 0 H GLY A 42 46.400 -6.538 10.409 1.00 1.00 H new ATOM 0 HA2 GLY A 42 45.018 -6.739 12.777 1.00 1.00 H new ATOM 0 HA3 GLY A 42 46.440 -7.675 12.364 1.00 1.00 H new ATOM 627 N THR A 43 47.701 -5.001 13.147 1.00 1.00 N ATOM 628 CA THR A 43 48.513 -4.242 14.091 1.00 1.00 C ATOM 629 C THR A 43 48.580 -2.776 13.679 1.00 1.00 C ATOM 630 O THR A 43 47.645 -2.014 13.925 1.00 1.00 O ATOM 631 CB THR A 43 49.927 -4.824 14.152 1.00 1.00 C ATOM 632 OG1 THR A 43 50.816 -3.846 14.673 1.00 1.00 O ATOM 633 CG2 THR A 43 50.375 -5.227 12.747 1.00 1.00 C ATOM 0 H THR A 43 47.842 -4.751 12.168 1.00 1.00 H new ATOM 0 HA THR A 43 48.052 -4.310 15.076 1.00 1.00 H new ATOM 0 HB THR A 43 49.933 -5.702 14.798 1.00 1.00 H new ATOM 0 HG1 THR A 43 51.722 -4.217 14.715 1.00 1.00 H new ATOM 0 HG21 THR A 43 51.382 -5.641 12.791 1.00 1.00 H new ATOM 0 HG22 THR A 43 49.691 -5.976 12.348 1.00 1.00 H new ATOM 0 HG23 THR A 43 50.371 -4.351 12.099 1.00 1.00 H new ATOM 641 N THR A 44 49.693 -2.397 13.049 1.00 1.00 N ATOM 642 CA THR A 44 49.898 -1.021 12.594 1.00 1.00 C ATOM 643 C THR A 44 49.239 -0.022 13.542 1.00 1.00 C ATOM 644 O THR A 44 48.534 0.890 13.107 1.00 1.00 O ATOM 645 CB THR A 44 49.335 -0.841 11.178 1.00 1.00 C ATOM 646 OG1 THR A 44 49.445 0.524 10.800 1.00 1.00 O ATOM 647 CG2 THR A 44 47.865 -1.264 11.138 1.00 1.00 C ATOM 0 H THR A 44 50.469 -3.026 12.842 1.00 1.00 H new ATOM 0 HA THR A 44 50.971 -0.828 12.584 1.00 1.00 H new ATOM 0 HB THR A 44 49.902 -1.464 10.486 1.00 1.00 H new ATOM 0 HG1 THR A 44 48.955 1.081 11.440 1.00 1.00 H new ATOM 0 HG21 THR A 44 47.476 -1.132 10.128 1.00 1.00 H new ATOM 0 HG22 THR A 44 47.780 -2.312 11.426 1.00 1.00 H new ATOM 0 HG23 THR A 44 47.291 -0.650 11.831 1.00 1.00 H new ATOM 655 N GLY A 45 49.475 -0.200 14.837 1.00 1.00 N ATOM 656 CA GLY A 45 48.899 0.691 15.837 1.00 1.00 C ATOM 657 C GLY A 45 47.697 0.045 16.515 1.00 1.00 C ATOM 658 O GLY A 45 47.582 0.057 17.741 1.00 1.00 O ATOM 0 H GLY A 45 50.056 -0.947 15.217 1.00 1.00 H new ATOM 0 HA2 GLY A 45 49.652 0.940 16.584 1.00 1.00 H new ATOM 0 HA3 GLY A 45 48.596 1.626 15.365 1.00 1.00 H new ATOM 662 N ASN A 46 46.804 -0.521 15.711 1.00 1.00 N ATOM 663 CA ASN A 46 45.612 -1.172 16.245 1.00 1.00 C ATOM 664 C ASN A 46 46.000 -2.321 17.170 1.00 1.00 C ATOM 665 O ASN A 46 45.143 -2.936 17.805 1.00 1.00 O ATOM 666 CB ASN A 46 44.750 -1.705 15.099 1.00 1.00 C ATOM 667 CG ASN A 46 44.825 -0.757 13.906 1.00 1.00 C ATOM 668 OD1 ASN A 46 45.022 0.445 14.080 1.00 1.00 O ATOM 669 ND2 ASN A 46 44.678 -1.229 12.699 1.00 1.00 N ATOM 0 H ASN A 46 46.881 -0.543 14.694 1.00 1.00 H new ATOM 0 HA ASN A 46 45.043 -0.437 16.815 1.00 1.00 H new ATOM 0 HB2 ASN A 46 45.092 -2.698 14.807 1.00 1.00 H new ATOM 0 HB3 ASN A 46 43.716 -1.808 15.428 1.00 1.00 H new ATOM 0 HD21 ASN A 46 44.726 -0.601 11.897 1.00 1.00 H new ATOM 0 HD22 ASN A 46 44.515 -2.226 12.558 1.00 1.00 H new ATOM 676 N GLY A 47 47.296 -2.604 17.241 1.00 1.00 N ATOM 677 CA GLY A 47 47.788 -3.682 18.093 1.00 1.00 C ATOM 678 C GLY A 47 48.423 -3.126 19.362 1.00 1.00 C ATOM 679 O GLY A 47 47.961 -3.401 20.470 1.00 1.00 O ATOM 0 H GLY A 47 48.021 -2.107 16.723 1.00 1.00 H new ATOM 0 HA2 GLY A 47 46.966 -4.348 18.355 1.00 1.00 H new ATOM 0 HA3 GLY A 47 48.519 -4.278 17.547 1.00 1.00 H new ATOM 683 N LEU A 48 49.483 -2.343 19.194 1.00 1.00 N ATOM 684 CA LEU A 48 50.174 -1.753 20.334 1.00 1.00 C ATOM 685 C LEU A 48 49.394 -0.558 20.873 1.00 1.00 C ATOM 686 O LEU A 48 49.970 0.488 21.171 1.00 1.00 O ATOM 687 CB LEU A 48 51.577 -1.306 19.922 1.00 1.00 C ATOM 688 CG LEU A 48 51.486 -0.437 18.666 1.00 1.00 C ATOM 689 CD1 LEU A 48 52.389 0.788 18.827 1.00 1.00 C ATOM 690 CD2 LEU A 48 51.943 -1.248 17.452 1.00 1.00 C ATOM 0 H LEU A 48 49.880 -2.103 18.286 1.00 1.00 H new ATOM 0 HA LEU A 48 50.250 -2.506 21.118 1.00 1.00 H new ATOM 0 HB2 LEU A 48 52.044 -0.746 20.732 1.00 1.00 H new ATOM 0 HB3 LEU A 48 52.206 -2.175 19.731 1.00 1.00 H new ATOM 0 HG LEU A 48 50.455 -0.113 18.522 1.00 1.00 H new ATOM 0 HD11 LEU A 48 52.325 1.408 17.932 1.00 1.00 H new ATOM 0 HD12 LEU A 48 52.067 1.366 19.693 1.00 1.00 H new ATOM 0 HD13 LEU A 48 53.420 0.464 18.970 1.00 1.00 H new ATOM 0 HD21 LEU A 48 51.879 -0.630 16.556 1.00 1.00 H new ATOM 0 HD22 LEU A 48 52.974 -1.570 17.597 1.00 1.00 H new ATOM 0 HD23 LEU A 48 51.302 -2.122 17.336 1.00 1.00 H new ATOM 702 N VAL A 49 48.080 -0.720 20.993 1.00 1.00 N ATOM 703 CA VAL A 49 47.231 0.354 21.497 1.00 1.00 C ATOM 704 C VAL A 49 46.183 -0.197 22.457 1.00 1.00 C ATOM 705 O VAL A 49 45.994 0.329 23.554 1.00 1.00 O ATOM 706 CB VAL A 49 46.536 1.059 20.331 1.00 1.00 C ATOM 707 CG1 VAL A 49 45.373 1.899 20.862 1.00 1.00 C ATOM 708 CG2 VAL A 49 47.538 1.970 19.617 1.00 1.00 C ATOM 0 H VAL A 49 47.583 -1.577 20.750 1.00 1.00 H new ATOM 0 HA VAL A 49 47.858 1.067 22.032 1.00 1.00 H new ATOM 0 HB VAL A 49 46.156 0.315 19.631 1.00 1.00 H new ATOM 0 HG11 VAL A 49 44.878 2.401 20.031 1.00 1.00 H new ATOM 0 HG12 VAL A 49 44.660 1.252 21.372 1.00 1.00 H new ATOM 0 HG13 VAL A 49 45.752 2.644 21.562 1.00 1.00 H new ATOM 0 HG21 VAL A 49 47.044 2.473 18.786 1.00 1.00 H new ATOM 0 HG22 VAL A 49 47.917 2.714 20.318 1.00 1.00 H new ATOM 0 HG23 VAL A 49 48.367 1.373 19.238 1.00 1.00 H new ATOM 718 N LEU A 50 45.503 -1.260 22.037 1.00 1.00 N ATOM 719 CA LEU A 50 44.474 -1.874 22.870 1.00 1.00 C ATOM 720 C LEU A 50 45.008 -3.136 23.539 1.00 1.00 C ATOM 721 O LEU A 50 44.531 -3.537 24.600 1.00 1.00 O ATOM 722 CB LEU A 50 43.254 -2.224 22.016 1.00 1.00 C ATOM 723 CG LEU A 50 43.637 -3.288 20.987 1.00 1.00 C ATOM 724 CD1 LEU A 50 43.085 -4.646 21.426 1.00 1.00 C ATOM 725 CD2 LEU A 50 43.046 -2.915 19.626 1.00 1.00 C ATOM 0 H LEU A 50 45.644 -1.711 21.133 1.00 1.00 H new ATOM 0 HA LEU A 50 44.185 -1.162 23.643 1.00 1.00 H new ATOM 0 HB2 LEU A 50 42.447 -2.591 22.650 1.00 1.00 H new ATOM 0 HB3 LEU A 50 42.883 -1.332 21.511 1.00 1.00 H new ATOM 0 HG LEU A 50 44.723 -3.345 20.910 1.00 1.00 H new ATOM 0 HD11 LEU A 50 43.358 -5.404 20.692 1.00 1.00 H new ATOM 0 HD12 LEU A 50 43.504 -4.913 22.396 1.00 1.00 H new ATOM 0 HD13 LEU A 50 41.999 -4.590 21.503 1.00 1.00 H new ATOM 0 HD21 LEU A 50 43.318 -3.673 18.891 1.00 1.00 H new ATOM 0 HD22 LEU A 50 41.960 -2.859 19.704 1.00 1.00 H new ATOM 0 HD23 LEU A 50 43.438 -1.948 19.312 1.00 1.00 H new ATOM 737 N TRP A 51 46.001 -3.759 22.911 1.00 1.00 N ATOM 738 CA TRP A 51 46.592 -4.975 23.457 1.00 1.00 C ATOM 739 C TRP A 51 47.779 -4.639 24.354 1.00 1.00 C ATOM 740 O TRP A 51 48.204 -5.457 25.170 1.00 1.00 O ATOM 741 CB TRP A 51 47.054 -5.887 22.319 1.00 1.00 C ATOM 742 CG TRP A 51 48.464 -6.318 22.564 1.00 1.00 C ATOM 743 CD1 TRP A 51 49.564 -5.630 22.178 1.00 1.00 C ATOM 744 CD2 TRP A 51 48.946 -7.514 23.241 1.00 1.00 C ATOM 745 NE1 TRP A 51 50.689 -6.330 22.574 1.00 1.00 N ATOM 746 CE2 TRP A 51 50.360 -7.497 23.234 1.00 1.00 C ATOM 747 CE3 TRP A 51 48.299 -8.602 23.855 1.00 1.00 C ATOM 748 CZ2 TRP A 51 51.107 -8.523 23.815 1.00 1.00 C ATOM 749 CZ3 TRP A 51 49.047 -9.636 24.440 1.00 1.00 C ATOM 750 CH2 TRP A 51 50.449 -9.597 24.421 1.00 1.00 C ATOM 0 H TRP A 51 46.410 -3.445 22.031 1.00 1.00 H new ATOM 0 HA TRP A 51 45.836 -5.488 24.051 1.00 1.00 H new ATOM 0 HB2 TRP A 51 46.403 -6.759 22.251 1.00 1.00 H new ATOM 0 HB3 TRP A 51 46.984 -5.361 21.367 1.00 1.00 H new ATOM 0 HD1 TRP A 51 49.563 -4.689 21.648 1.00 1.00 H new ATOM 0 HE1 TRP A 51 51.645 -6.022 22.400 1.00 1.00 H new ATOM 0 HE3 TRP A 51 47.220 -8.642 23.876 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 52.186 -8.487 23.796 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 48.540 -10.467 24.908 1.00 1.00 H new ATOM 0 HH2 TRP A 51 51.019 -10.395 24.874 1.00 1.00 H new ATOM 761 N THR A 52 48.309 -3.431 24.198 1.00 1.00 N ATOM 762 CA THR A 52 49.447 -2.996 25.000 1.00 1.00 C ATOM 763 C THR A 52 49.024 -2.762 26.448 1.00 1.00 C ATOM 764 O THR A 52 49.825 -2.912 27.370 1.00 1.00 O ATOM 765 CB THR A 52 50.032 -1.705 24.423 1.00 1.00 C ATOM 766 OG1 THR A 52 51.271 -1.424 25.058 1.00 1.00 O ATOM 767 CG2 THR A 52 49.059 -0.550 24.662 1.00 1.00 C ATOM 0 H THR A 52 47.972 -2.739 23.528 1.00 1.00 H new ATOM 0 HA THR A 52 50.204 -3.780 24.976 1.00 1.00 H new ATOM 0 HB THR A 52 50.192 -1.825 23.351 1.00 1.00 H new ATOM 0 HG1 THR A 52 51.648 -0.598 24.689 1.00 1.00 H new ATOM 0 HG21 THR A 52 49.477 0.369 24.251 1.00 1.00 H new ATOM 0 HG22 THR A 52 48.109 -0.767 24.173 1.00 1.00 H new ATOM 0 HG23 THR A 52 48.896 -0.427 25.733 1.00 1.00 H new ATOM 775 N VAL A 53 47.761 -2.396 26.638 1.00 1.00 N ATOM 776 CA VAL A 53 47.242 -2.144 27.977 1.00 1.00 C ATOM 777 C VAL A 53 47.327 -3.406 28.830 1.00 1.00 C ATOM 778 O VAL A 53 47.797 -3.367 29.968 1.00 1.00 O ATOM 779 CB VAL A 53 45.788 -1.678 27.896 1.00 1.00 C ATOM 780 CG1 VAL A 53 45.321 -1.215 29.277 1.00 1.00 C ATOM 781 CG2 VAL A 53 45.682 -0.516 26.906 1.00 1.00 C ATOM 0 H VAL A 53 47.082 -2.268 25.888 1.00 1.00 H new ATOM 0 HA VAL A 53 47.847 -1.364 28.439 1.00 1.00 H new ATOM 0 HB VAL A 53 45.160 -2.503 27.560 1.00 1.00 H new ATOM 0 HG11 VAL A 53 44.284 -0.883 29.218 1.00 1.00 H new ATOM 0 HG12 VAL A 53 45.398 -2.042 29.983 1.00 1.00 H new ATOM 0 HG13 VAL A 53 45.948 -0.390 29.615 1.00 1.00 H new ATOM 0 HG21 VAL A 53 44.646 -0.182 26.847 1.00 1.00 H new ATOM 0 HG22 VAL A 53 46.310 0.308 27.244 1.00 1.00 H new ATOM 0 HG23 VAL A 53 46.014 -0.845 25.921 1.00 1.00 H new ATOM 791 N PHE A 54 46.872 -4.522 28.273 1.00 1.00 N ATOM 792 CA PHE A 54 46.901 -5.791 28.992 1.00 1.00 C ATOM 793 C PHE A 54 48.338 -6.259 29.195 1.00 1.00 C ATOM 794 O PHE A 54 48.591 -7.229 29.910 1.00 1.00 O ATOM 795 CB PHE A 54 46.121 -6.852 28.214 1.00 1.00 C ATOM 796 CG PHE A 54 44.813 -7.131 28.913 1.00 1.00 C ATOM 797 CD1 PHE A 54 43.751 -6.227 28.799 1.00 1.00 C ATOM 798 CD2 PHE A 54 44.663 -8.295 29.677 1.00 1.00 C ATOM 799 CE1 PHE A 54 42.537 -6.486 29.448 1.00 1.00 C ATOM 800 CE2 PHE A 54 43.449 -8.554 30.326 1.00 1.00 C ATOM 801 CZ PHE A 54 42.387 -7.649 30.211 1.00 1.00 C ATOM 0 H PHE A 54 46.481 -4.575 27.332 1.00 1.00 H new ATOM 0 HA PHE A 54 46.438 -5.644 29.968 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.935 -6.508 27.196 1.00 1.00 H new ATOM 0 HB3 PHE A 54 46.708 -7.768 28.139 1.00 1.00 H new ATOM 0 HD1 PHE A 54 43.867 -5.329 28.210 1.00 1.00 H new ATOM 0 HD2 PHE A 54 45.483 -8.993 29.766 1.00 1.00 H new ATOM 0 HE1 PHE A 54 41.717 -5.788 29.359 1.00 1.00 H new ATOM 0 HE2 PHE A 54 43.332 -9.452 30.915 1.00 1.00 H new ATOM 0 HZ PHE A 54 41.451 -7.849 30.712 1.00 1.00 H new ATOM 811 N ARG A 55 49.277 -5.563 28.561 1.00 1.00 N ATOM 812 CA ARG A 55 50.687 -5.917 28.679 1.00 1.00 C ATOM 813 C ARG A 55 51.390 -4.995 29.670 1.00 1.00 C ATOM 814 O ARG A 55 52.129 -5.452 30.541 1.00 1.00 O ATOM 815 CB ARG A 55 51.367 -5.814 27.312 1.00 1.00 C ATOM 816 CG ARG A 55 52.859 -6.115 27.461 1.00 1.00 C ATOM 817 CD ARG A 55 53.478 -6.331 26.079 1.00 1.00 C ATOM 818 NE ARG A 55 54.872 -6.737 26.207 1.00 1.00 N ATOM 819 CZ ARG A 55 55.625 -6.958 25.135 1.00 1.00 C ATOM 820 NH1 ARG A 55 55.120 -6.812 23.941 1.00 1.00 N ATOM 821 NH2 ARG A 55 56.872 -7.320 25.276 1.00 1.00 N ATOM 0 H ARG A 55 49.089 -4.757 27.965 1.00 1.00 H new ATOM 0 HA ARG A 55 50.756 -6.942 29.043 1.00 1.00 H new ATOM 0 HB2 ARG A 55 50.911 -6.516 26.613 1.00 1.00 H new ATOM 0 HB3 ARG A 55 51.226 -4.816 26.898 1.00 1.00 H new ATOM 0 HG2 ARG A 55 53.358 -5.290 27.969 1.00 1.00 H new ATOM 0 HG3 ARG A 55 53.002 -7.002 28.078 1.00 1.00 H new ATOM 0 HD2 ARG A 55 52.918 -7.094 25.537 1.00 1.00 H new ATOM 0 HD3 ARG A 55 53.412 -5.413 25.496 1.00 1.00 H new ATOM 0 HE ARG A 55 55.277 -6.854 27.136 1.00 1.00 H new ATOM 0 HH11 ARG A 55 54.147 -6.528 23.830 1.00 1.00 H new ATOM 0 HH12 ARG A 55 55.699 -6.982 23.118 1.00 1.00 H new ATOM 0 HH21 ARG A 55 57.268 -7.433 26.209 1.00 1.00 H new ATOM 0 HH22 ARG A 55 57.450 -7.490 24.453 1.00 1.00 H new ATOM 835 N LYS A 56 51.154 -3.694 29.530 1.00 1.00 N ATOM 836 CA LYS A 56 51.770 -2.716 30.419 1.00 1.00 C ATOM 837 C LYS A 56 51.617 -3.145 31.874 1.00 1.00 C ATOM 838 O LYS A 56 52.342 -2.671 32.750 1.00 1.00 O ATOM 839 CB LYS A 56 51.121 -1.345 30.218 1.00 1.00 C ATOM 840 CG LYS A 56 51.229 -0.940 28.746 1.00 1.00 C ATOM 841 CD LYS A 56 52.050 0.346 28.630 1.00 1.00 C ATOM 842 CE LYS A 56 52.198 0.726 27.155 1.00 1.00 C ATOM 843 NZ LYS A 56 53.115 1.895 27.033 1.00 1.00 N ATOM 0 H LYS A 56 50.545 -3.295 28.815 1.00 1.00 H new ATOM 0 HA LYS A 56 52.832 -2.653 30.180 1.00 1.00 H new ATOM 0 HB2 LYS A 56 50.075 -1.378 30.521 1.00 1.00 H new ATOM 0 HB3 LYS A 56 51.612 -0.603 30.847 1.00 1.00 H new ATOM 0 HG2 LYS A 56 51.700 -1.738 28.172 1.00 1.00 H new ATOM 0 HG3 LYS A 56 50.235 -0.789 28.325 1.00 1.00 H new ATOM 0 HD2 LYS A 56 51.562 1.152 29.177 1.00 1.00 H new ATOM 0 HD3 LYS A 56 53.032 0.205 29.080 1.00 1.00 H new ATOM 0 HE2 LYS A 56 52.590 -0.118 26.588 1.00 1.00 H new ATOM 0 HE3 LYS A 56 51.223 0.969 26.731 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 53.216 2.154 26.031 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 52.723 2.701 27.561 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 54.047 1.647 27.422 1.00 1.00 H new ATOM 857 N LYS A 57 50.671 -4.043 32.125 1.00 1.00 N ATOM 858 CA LYS A 57 50.432 -4.528 33.480 1.00 1.00 C ATOM 859 C LYS A 57 51.724 -5.053 34.097 1.00 1.00 C ATOM 860 O LYS A 57 51.860 -5.116 35.319 1.00 1.00 O ATOM 861 CB LYS A 57 49.385 -5.643 33.458 1.00 1.00 C ATOM 862 CG LYS A 57 48.131 -5.154 32.730 1.00 1.00 C ATOM 863 CD LYS A 57 46.899 -5.853 33.308 1.00 1.00 C ATOM 864 CE LYS A 57 46.400 -5.082 34.531 1.00 1.00 C ATOM 865 NZ LYS A 57 45.464 -4.008 34.093 1.00 1.00 N ATOM 0 H LYS A 57 50.061 -4.448 31.414 1.00 1.00 H new ATOM 0 HA LYS A 57 50.066 -3.698 34.084 1.00 1.00 H new ATOM 0 HB2 LYS A 57 49.788 -6.524 32.958 1.00 1.00 H new ATOM 0 HB3 LYS A 57 49.134 -5.941 34.476 1.00 1.00 H new ATOM 0 HG2 LYS A 57 48.033 -4.074 32.838 1.00 1.00 H new ATOM 0 HG3 LYS A 57 48.213 -5.362 31.663 1.00 1.00 H new ATOM 0 HD2 LYS A 57 46.113 -5.909 32.555 1.00 1.00 H new ATOM 0 HD3 LYS A 57 47.147 -6.877 33.587 1.00 1.00 H new ATOM 0 HE2 LYS A 57 45.896 -5.759 35.221 1.00 1.00 H new ATOM 0 HE3 LYS A 57 47.243 -4.648 35.069 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 45.124 -3.483 34.924 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 45.959 -3.357 33.451 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 44.655 -4.434 33.598 1.00 1.00 H new ATOM 879 N GLY A 58 52.672 -5.428 33.243 1.00 1.00 N ATOM 880 CA GLY A 58 53.950 -5.946 33.716 1.00 1.00 C ATOM 881 C GLY A 58 54.444 -7.078 32.821 1.00 1.00 C ATOM 882 O GLY A 58 54.749 -8.171 33.298 1.00 1.00 O ATOM 0 H GLY A 58 52.580 -5.383 32.228 1.00 1.00 H new ATOM 0 HA2 GLY A 58 54.688 -5.144 33.735 1.00 1.00 H new ATOM 0 HA3 GLY A 58 53.845 -6.306 34.739 1.00 1.00 H new ATOM 886 N HIS A 59 54.519 -6.808 31.522 1.00 1.00 N ATOM 887 CA HIS A 59 54.978 -7.813 30.569 1.00 1.00 C ATOM 888 C HIS A 59 54.273 -9.143 30.813 1.00 1.00 C ATOM 889 O HIS A 59 54.897 -10.119 31.227 1.00 1.00 O ATOM 890 CB HIS A 59 56.490 -8.002 30.697 1.00 1.00 C ATOM 891 CG HIS A 59 57.161 -6.658 30.756 1.00 1.00 C ATOM 892 ND1 HIS A 59 58.095 -6.341 31.730 1.00 1.00 N ATOM 893 CD2 HIS A 59 57.045 -5.538 29.971 1.00 1.00 C ATOM 894 CE1 HIS A 59 58.501 -5.078 31.508 1.00 1.00 C ATOM 895 NE2 HIS A 59 57.892 -4.541 30.447 1.00 1.00 N ATOM 0 H HIS A 59 54.270 -5.910 31.107 1.00 1.00 H new ATOM 0 HA HIS A 59 54.740 -7.469 29.563 1.00 1.00 H new ATOM 0 HB2 HIS A 59 56.721 -8.575 31.595 1.00 1.00 H new ATOM 0 HB3 HIS A 59 56.869 -8.572 29.849 1.00 1.00 H new ATOM 0 HD2 HIS A 59 56.395 -5.444 29.114 1.00 1.00 H new ATOM 0 HE1 HIS A 59 59.230 -4.561 32.114 1.00 1.00 H new ATOM 0 HE2 HIS A 59 58.020 -3.603 30.068 1.00 1.00 H new ATOM 903 N HIS A 60 52.970 -9.174 30.551 1.00 1.00 N ATOM 904 CA HIS A 60 52.189 -10.390 30.744 1.00 1.00 C ATOM 905 C HIS A 60 52.603 -11.097 32.031 1.00 1.00 C ATOM 906 O HIS A 60 52.439 -12.310 32.165 1.00 1.00 O ATOM 907 CB HIS A 60 52.388 -11.331 29.555 1.00 1.00 C ATOM 908 CG HIS A 60 53.734 -11.992 29.658 1.00 1.00 C ATOM 909 ND1 HIS A 60 53.938 -13.142 30.405 1.00 1.00 N ATOM 910 CD2 HIS A 60 54.955 -11.677 29.115 1.00 1.00 C ATOM 911 CE1 HIS A 60 55.237 -13.475 30.292 1.00 1.00 C ATOM 912 NE2 HIS A 60 55.902 -12.615 29.516 1.00 1.00 N ATOM 0 H HIS A 60 52.436 -8.376 30.207 1.00 1.00 H new ATOM 0 HA HIS A 60 51.137 -10.115 30.818 1.00 1.00 H new ATOM 0 HB2 HIS A 60 51.601 -12.085 29.539 1.00 1.00 H new ATOM 0 HB3 HIS A 60 52.315 -10.774 28.621 1.00 1.00 H new ATOM 0 HD1 HIS A 60 53.232 -13.644 30.943 1.00 1.00 H new ATOM 0 HD2 HIS A 60 55.151 -10.830 28.474 1.00 1.00 H new ATOM 0 HE1 HIS A 60 55.687 -14.333 30.770 1.00 1.00 H new ATOM 920 N HIS A 61 53.141 -10.331 32.974 1.00 1.00 N ATOM 921 CA HIS A 61 53.575 -10.894 34.247 1.00 1.00 C ATOM 922 C HIS A 61 53.409 -9.875 35.370 1.00 1.00 C ATOM 923 O HIS A 61 54.194 -8.935 35.489 1.00 1.00 O ATOM 924 CB HIS A 61 55.041 -11.321 34.156 1.00 1.00 C ATOM 925 CG HIS A 61 55.247 -12.581 34.950 1.00 1.00 C ATOM 926 ND1 HIS A 61 56.245 -13.494 34.644 1.00 1.00 N ATOM 927 CD2 HIS A 61 54.592 -13.096 36.042 1.00 1.00 C ATOM 928 CE1 HIS A 61 56.163 -14.500 35.534 1.00 1.00 C ATOM 929 NE2 HIS A 61 55.172 -14.307 36.409 1.00 1.00 N ATOM 0 H HIS A 61 53.286 -9.326 32.882 1.00 1.00 H new ATOM 0 HA HIS A 61 52.956 -11.764 34.467 1.00 1.00 H new ATOM 0 HB2 HIS A 61 55.319 -11.485 33.115 1.00 1.00 H new ATOM 0 HB3 HIS A 61 55.686 -10.529 34.537 1.00 1.00 H new ATOM 0 HD2 HIS A 61 53.754 -12.632 36.540 1.00 1.00 H new ATOM 0 HE1 HIS A 61 56.818 -15.359 35.540 1.00 1.00 H new ATOM 0 HE2 HIS A 61 54.899 -14.916 37.180 1.00 1.00 H new ATOM 937 N HIS A 62 52.381 -10.068 36.190 1.00 1.00 N ATOM 938 CA HIS A 62 52.121 -9.158 37.300 1.00 1.00 C ATOM 939 C HIS A 62 53.116 -9.396 38.431 1.00 1.00 C ATOM 940 O HIS A 62 52.784 -9.237 39.606 1.00 1.00 O ATOM 941 CB HIS A 62 50.697 -9.362 37.819 1.00 1.00 C ATOM 942 CG HIS A 62 49.761 -9.554 36.657 1.00 1.00 C ATOM 943 ND1 HIS A 62 48.884 -10.624 36.584 1.00 1.00 N ATOM 944 CD2 HIS A 62 49.556 -8.822 35.514 1.00 1.00 C ATOM 945 CE1 HIS A 62 48.196 -10.507 35.433 1.00 1.00 C ATOM 946 NE2 HIS A 62 48.566 -9.425 34.743 1.00 1.00 N ATOM 0 H HIS A 62 51.719 -10.840 36.108 1.00 1.00 H new ATOM 0 HA HIS A 62 52.234 -8.135 36.941 1.00 1.00 H new ATOM 0 HB2 HIS A 62 50.659 -10.230 38.477 1.00 1.00 H new ATOM 0 HB3 HIS A 62 50.387 -8.500 38.410 1.00 1.00 H new ATOM 0 HD2 HIS A 62 50.083 -7.916 35.253 1.00 1.00 H new ATOM 0 HE1 HIS A 62 47.437 -11.203 35.107 1.00 1.00 H new ATOM 0 HE2 HIS A 62 48.202 -9.109 33.844 1.00 1.00 H new ATOM 954 N HIS A 63 54.338 -9.775 38.068 1.00 1.00 N ATOM 955 CA HIS A 63 55.376 -10.030 39.059 1.00 1.00 C ATOM 956 C HIS A 63 54.802 -10.770 40.264 1.00 1.00 C ATOM 957 O HIS A 63 55.142 -10.468 41.408 1.00 1.00 O ATOM 958 CB HIS A 63 55.996 -8.708 39.514 1.00 1.00 C ATOM 959 CG HIS A 63 54.981 -7.920 40.295 1.00 1.00 C ATOM 960 ND1 HIS A 63 54.813 -8.080 41.661 1.00 1.00 N ATOM 961 CD2 HIS A 63 54.074 -6.963 39.915 1.00 1.00 C ATOM 962 CE1 HIS A 63 53.839 -7.239 42.051 1.00 1.00 C ATOM 963 NE2 HIS A 63 53.354 -6.533 41.026 1.00 1.00 N ATOM 0 H HIS A 63 54.632 -9.911 37.101 1.00 1.00 H new ATOM 0 HA HIS A 63 56.144 -10.653 38.601 1.00 1.00 H new ATOM 0 HB2 HIS A 63 56.875 -8.899 40.129 1.00 1.00 H new ATOM 0 HB3 HIS A 63 56.330 -8.134 38.650 1.00 1.00 H new ATOM 0 HD1 HIS A 63 55.333 -8.719 42.262 1.00 1.00 H new ATOM 0 HD2 HIS A 63 53.939 -6.599 38.907 1.00 1.00 H new ATOM 0 HE1 HIS A 63 53.491 -7.146 43.069 1.00 1.00 H new ATOM 971 N HIS A 64 53.932 -11.737 39.998 1.00 1.00 N ATOM 972 CA HIS A 64 53.317 -12.513 41.069 1.00 1.00 C ATOM 973 C HIS A 64 53.124 -13.963 40.637 1.00 1.00 C ATOM 974 O HIS A 64 52.956 -14.802 41.507 1.00 1.00 O ATOM 975 CB HIS A 64 51.963 -11.907 41.442 1.00 1.00 C ATOM 976 CG HIS A 64 51.912 -11.667 42.926 1.00 1.00 C ATOM 977 ND1 HIS A 64 50.841 -12.080 43.704 1.00 1.00 N ATOM 978 CD2 HIS A 64 52.791 -11.061 43.788 1.00 1.00 C ATOM 979 CE1 HIS A 64 51.101 -11.720 44.975 1.00 1.00 C ATOM 980 NE2 HIS A 64 52.277 -11.095 45.082 1.00 1.00 N ATOM 981 OXT HIS A 64 53.150 -14.214 39.444 1.00 1.00 O ATOM 0 H HIS A 64 53.638 -12.001 39.058 1.00 1.00 H new ATOM 0 HA HIS A 64 53.978 -12.488 41.935 1.00 1.00 H new ATOM 0 HB2 HIS A 64 51.812 -10.970 40.906 1.00 1.00 H new ATOM 0 HB3 HIS A 64 51.158 -12.578 41.144 1.00 1.00 H new ATOM 0 HD2 HIS A 64 53.738 -10.624 43.506 1.00 1.00 H new ATOM 0 HE1 HIS A 64 50.440 -11.913 45.807 1.00 1.00 H new ATOM 0 HE2 HIS A 64 52.706 -10.723 45.929 1.00 1.00 H new TER 989 HIS A 64