USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=19 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 Set 1.1: A 61 HIS : no HE2:sc= -0.481 X(o=-1.7,f=-2) USER MOD Set 1.2: A 63 HIS :FLIP no HD1:sc= -1.25! C(o=-2.9!,f=-1.7!) USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.0239) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.583 (180deg=-1.04) USER MOD Single : A 9 ASN : amide:sc= -0.351 K(o=-0.35,f=-1.6!) 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= -0.268 X(o=-0.27,f=-0.18) USER MOD Single : A 16 GLN :FLIP amide:sc= 0.142 F(o=-3!,f=0.14) USER MOD Single : A 17 SER OG : rot 68:sc= 1.01 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.216 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -26:sc= 0.149 USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= -0.548 (180deg=-2.18!) USER MOD Single : A 26 SER OG : rot -63:sc= 0.677! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 135:sc= -1.6 (180deg=-2.65!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.813! USER MOD Single : A 44 THR OG1 : rot -66:sc= 1.04 USER MOD Single : A 46 ASN : amide:sc= -2.68! C(o=-2.7!,f=-2.7!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.86 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) USER MOD Single : A 60 HIS : no HD1:sc= -0.433 X(o=-0.43,f=-0.13) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 104.535 -16.849 -21.343 1.00 1.00 N ATOM 2 CA MET A 1 103.970 -16.133 -20.164 1.00 1.00 C ATOM 3 C MET A 1 102.749 -16.888 -19.651 1.00 1.00 C ATOM 4 O MET A 1 102.278 -16.644 -18.541 1.00 1.00 O ATOM 5 CB MET A 1 103.572 -14.713 -20.576 1.00 1.00 C ATOM 6 CG MET A 1 104.816 -13.943 -21.022 1.00 1.00 C ATOM 7 SD MET A 1 104.486 -13.128 -22.604 1.00 1.00 S ATOM 8 CE MET A 1 103.407 -11.822 -21.966 1.00 1.00 C ATOM 0 H1 MET A 1 105.517 -16.544 -21.497 1.00 1.00 H new ATOM 0 H2 MET A 1 104.514 -17.874 -21.169 1.00 1.00 H new ATOM 0 H3 MET A 1 103.968 -16.629 -22.187 1.00 1.00 H new ATOM 0 HA MET A 1 104.717 -16.080 -19.372 1.00 1.00 H new ATOM 0 HB2 MET A 1 102.844 -14.749 -21.386 1.00 1.00 H new ATOM 0 HB3 MET A 1 103.095 -14.201 -19.741 1.00 1.00 H new ATOM 0 HG2 MET A 1 105.088 -13.203 -20.269 1.00 1.00 H new ATOM 0 HG3 MET A 1 105.662 -14.623 -21.121 1.00 1.00 H new ATOM 0 HE1 MET A 1 103.179 -11.116 -22.764 1.00 1.00 H new ATOM 0 HE2 MET A 1 102.481 -12.263 -21.597 1.00 1.00 H new ATOM 0 HE3 MET A 1 103.910 -11.300 -21.152 1.00 1.00 H new ATOM 20 N GLU A 2 102.241 -17.806 -20.466 1.00 1.00 N ATOM 21 CA GLU A 2 101.074 -18.592 -20.084 1.00 1.00 C ATOM 22 C GLU A 2 99.908 -17.678 -19.721 1.00 1.00 C ATOM 23 O GLU A 2 99.887 -17.079 -18.646 1.00 1.00 O ATOM 24 CB GLU A 2 101.414 -19.485 -18.889 1.00 1.00 C ATOM 25 CG GLU A 2 102.634 -20.345 -19.226 1.00 1.00 C ATOM 26 CD GLU A 2 102.495 -21.722 -18.585 1.00 1.00 C ATOM 27 OE1 GLU A 2 101.608 -22.455 -18.990 1.00 1.00 O ATOM 28 OE2 GLU A 2 103.278 -22.022 -17.698 1.00 1.00 O ATOM 0 H GLU A 2 102.616 -18.023 -21.389 1.00 1.00 H new ATOM 0 HA GLU A 2 100.785 -19.213 -20.932 1.00 1.00 H new ATOM 0 HB2 GLU A 2 101.619 -18.873 -18.011 1.00 1.00 H new ATOM 0 HB3 GLU A 2 100.564 -20.121 -18.643 1.00 1.00 H new ATOM 0 HG2 GLU A 2 102.730 -20.446 -20.307 1.00 1.00 H new ATOM 0 HG3 GLU A 2 103.542 -19.859 -18.869 1.00 1.00 H new ATOM 35 N GLU A 3 98.940 -17.575 -20.626 1.00 1.00 N ATOM 36 CA GLU A 3 97.774 -16.731 -20.390 1.00 1.00 C ATOM 37 C GLU A 3 96.589 -17.570 -19.926 1.00 1.00 C ATOM 38 O GLU A 3 96.474 -17.900 -18.745 1.00 1.00 O ATOM 39 CB GLU A 3 97.403 -15.985 -21.673 1.00 1.00 C ATOM 40 CG GLU A 3 98.443 -14.899 -21.953 1.00 1.00 C ATOM 41 CD GLU A 3 98.836 -14.921 -23.426 1.00 1.00 C ATOM 42 OE1 GLU A 3 97.966 -14.706 -24.255 1.00 1.00 O ATOM 43 OE2 GLU A 3 100.000 -15.153 -23.706 1.00 1.00 O ATOM 0 H GLU A 3 98.939 -18.061 -21.523 1.00 1.00 H new ATOM 0 HA GLU A 3 98.021 -16.012 -19.609 1.00 1.00 H new ATOM 0 HB2 GLU A 3 97.355 -16.682 -22.510 1.00 1.00 H new ATOM 0 HB3 GLU A 3 96.414 -15.538 -21.573 1.00 1.00 H new ATOM 0 HG2 GLU A 3 98.040 -13.921 -21.690 1.00 1.00 H new ATOM 0 HG3 GLU A 3 99.324 -15.058 -21.331 1.00 1.00 H new ATOM 50 N GLY A 4 95.710 -17.912 -20.862 1.00 1.00 N ATOM 51 CA GLY A 4 94.535 -18.715 -20.537 1.00 1.00 C ATOM 52 C GLY A 4 93.313 -18.228 -21.306 1.00 1.00 C ATOM 53 O GLY A 4 93.105 -18.603 -22.461 1.00 1.00 O ATOM 0 H GLY A 4 95.787 -17.649 -21.844 1.00 1.00 H new ATOM 0 HA2 GLY A 4 94.727 -19.761 -20.776 1.00 1.00 H new ATOM 0 HA3 GLY A 4 94.340 -18.664 -19.466 1.00 1.00 H new ATOM 57 N GLY A 5 92.507 -17.391 -20.661 1.00 1.00 N ATOM 58 CA GLY A 5 91.307 -16.860 -21.295 1.00 1.00 C ATOM 59 C GLY A 5 90.310 -17.973 -21.594 1.00 1.00 C ATOM 60 O GLY A 5 89.739 -18.033 -22.683 1.00 1.00 O ATOM 0 H GLY A 5 92.662 -17.068 -19.706 1.00 1.00 H new ATOM 0 HA2 GLY A 5 90.845 -16.118 -20.644 1.00 1.00 H new ATOM 0 HA3 GLY A 5 91.575 -16.349 -22.220 1.00 1.00 H new ATOM 64 N ASP A 6 90.106 -18.854 -20.620 1.00 1.00 N ATOM 65 CA ASP A 6 89.174 -19.963 -20.790 1.00 1.00 C ATOM 66 C ASP A 6 88.357 -20.178 -19.519 1.00 1.00 C ATOM 67 O ASP A 6 87.923 -21.293 -19.229 1.00 1.00 O ATOM 68 CB ASP A 6 89.942 -21.243 -21.128 1.00 1.00 C ATOM 69 CG ASP A 6 90.514 -21.151 -22.538 1.00 1.00 C ATOM 70 OD1 ASP A 6 89.963 -20.406 -23.332 1.00 1.00 O ATOM 71 OD2 ASP A 6 91.493 -21.828 -22.805 1.00 1.00 O ATOM 0 H ASP A 6 90.569 -18.823 -19.712 1.00 1.00 H new ATOM 0 HA ASP A 6 88.495 -19.720 -21.607 1.00 1.00 H new ATOM 0 HB2 ASP A 6 90.747 -21.394 -20.409 1.00 1.00 H new ATOM 0 HB3 ASP A 6 89.280 -22.105 -21.051 1.00 1.00 H new ATOM 76 N PHE A 7 88.153 -19.102 -18.766 1.00 1.00 N ATOM 77 CA PHE A 7 87.388 -19.184 -17.527 1.00 1.00 C ATOM 78 C PHE A 7 86.466 -17.978 -17.386 1.00 1.00 C ATOM 79 O PHE A 7 86.411 -17.348 -16.330 1.00 1.00 O ATOM 80 CB PHE A 7 88.337 -19.246 -16.328 1.00 1.00 C ATOM 81 CG PHE A 7 89.603 -19.966 -16.727 1.00 1.00 C ATOM 82 CD1 PHE A 7 89.613 -21.362 -16.828 1.00 1.00 C ATOM 83 CD2 PHE A 7 90.769 -19.237 -16.992 1.00 1.00 C ATOM 84 CE1 PHE A 7 90.786 -22.030 -17.197 1.00 1.00 C ATOM 85 CE2 PHE A 7 91.943 -19.905 -17.361 1.00 1.00 C ATOM 86 CZ PHE A 7 91.952 -21.301 -17.463 1.00 1.00 C ATOM 0 H PHE A 7 88.503 -18.170 -18.989 1.00 1.00 H new ATOM 0 HA PHE A 7 86.782 -20.090 -17.557 1.00 1.00 H new ATOM 0 HB2 PHE A 7 88.572 -18.239 -15.983 1.00 1.00 H new ATOM 0 HB3 PHE A 7 87.858 -19.764 -15.497 1.00 1.00 H new ATOM 0 HD1 PHE A 7 88.714 -21.924 -16.621 1.00 1.00 H new ATOM 0 HD2 PHE A 7 90.763 -18.160 -16.912 1.00 1.00 H new ATOM 0 HE1 PHE A 7 90.792 -23.107 -17.277 1.00 1.00 H new ATOM 0 HE2 PHE A 7 92.842 -19.343 -17.567 1.00 1.00 H new ATOM 0 HZ PHE A 7 92.858 -21.816 -17.747 1.00 1.00 H new ATOM 96 N ASP A 8 85.744 -17.665 -18.460 1.00 1.00 N ATOM 97 CA ASP A 8 84.822 -16.532 -18.455 1.00 1.00 C ATOM 98 C ASP A 8 83.400 -16.998 -18.752 1.00 1.00 C ATOM 99 O ASP A 8 82.669 -16.352 -19.503 1.00 1.00 O ATOM 100 CB ASP A 8 85.254 -15.506 -19.504 1.00 1.00 C ATOM 101 CG ASP A 8 84.878 -15.995 -20.898 1.00 1.00 C ATOM 102 OD1 ASP A 8 84.662 -17.187 -21.048 1.00 1.00 O ATOM 103 OD2 ASP A 8 84.811 -15.171 -21.796 1.00 1.00 O ATOM 0 H ASP A 8 85.779 -18.178 -19.341 1.00 1.00 H new ATOM 0 HA ASP A 8 84.843 -16.073 -17.467 1.00 1.00 H new ATOM 0 HB2 ASP A 8 84.776 -14.547 -19.305 1.00 1.00 H new ATOM 0 HB3 ASP A 8 86.330 -15.344 -19.445 1.00 1.00 H new ATOM 108 N ASN A 9 83.016 -18.123 -18.159 1.00 1.00 N ATOM 109 CA ASN A 9 81.679 -18.667 -18.368 1.00 1.00 C ATOM 110 C ASN A 9 81.110 -19.209 -17.061 1.00 1.00 C ATOM 111 O ASN A 9 80.013 -18.832 -16.647 1.00 1.00 O ATOM 112 CB ASN A 9 81.727 -19.787 -19.410 1.00 1.00 C ATOM 113 CG ASN A 9 80.413 -20.561 -19.405 1.00 1.00 C ATOM 114 OD1 ASN A 9 80.203 -21.424 -18.553 1.00 1.00 O ATOM 115 ND2 ASN A 9 79.511 -20.301 -20.311 1.00 1.00 N ATOM 0 H ASN A 9 83.606 -18.673 -17.534 1.00 1.00 H new ATOM 0 HA ASN A 9 81.034 -17.865 -18.727 1.00 1.00 H new ATOM 0 HB2 ASN A 9 81.907 -19.367 -20.399 1.00 1.00 H new ATOM 0 HB3 ASN A 9 82.556 -20.461 -19.194 1.00 1.00 H new ATOM 0 HD21 ASN A 9 78.629 -20.813 -20.314 1.00 1.00 H new ATOM 0 HD22 ASN A 9 79.688 -19.585 -21.016 1.00 1.00 H new ATOM 122 N TYR A 10 81.863 -20.094 -16.415 1.00 1.00 N ATOM 123 CA TYR A 10 81.423 -20.681 -15.155 1.00 1.00 C ATOM 124 C TYR A 10 82.091 -19.981 -13.976 1.00 1.00 C ATOM 125 O TYR A 10 81.526 -19.908 -12.884 1.00 1.00 O ATOM 126 CB TYR A 10 81.765 -22.172 -15.126 1.00 1.00 C ATOM 127 CG TYR A 10 80.642 -22.934 -14.466 1.00 1.00 C ATOM 128 CD1 TYR A 10 79.496 -23.266 -15.199 1.00 1.00 C ATOM 129 CD2 TYR A 10 80.745 -23.308 -13.121 1.00 1.00 C ATOM 130 CE1 TYR A 10 78.454 -23.973 -14.588 1.00 1.00 C ATOM 131 CE2 TYR A 10 79.702 -24.014 -12.509 1.00 1.00 C ATOM 132 CZ TYR A 10 78.557 -24.347 -13.242 1.00 1.00 C ATOM 133 OH TYR A 10 77.530 -25.043 -12.639 1.00 1.00 O ATOM 0 H TYR A 10 82.774 -20.418 -16.740 1.00 1.00 H new ATOM 0 HA TYR A 10 80.343 -20.554 -15.074 1.00 1.00 H new ATOM 0 HB2 TYR A 10 81.921 -22.540 -16.140 1.00 1.00 H new ATOM 0 HB3 TYR A 10 82.696 -22.332 -14.582 1.00 1.00 H new ATOM 0 HD1 TYR A 10 79.416 -22.976 -16.236 1.00 1.00 H new ATOM 0 HD2 TYR A 10 81.629 -23.052 -12.555 1.00 1.00 H new ATOM 0 HE1 TYR A 10 77.571 -24.230 -15.154 1.00 1.00 H new ATOM 0 HE2 TYR A 10 79.781 -24.302 -11.471 1.00 1.00 H new ATOM 0 HH TYR A 10 77.762 -25.225 -11.704 1.00 1.00 H new ATOM 143 N TYR A 11 83.295 -19.467 -14.203 1.00 1.00 N ATOM 144 CA TYR A 11 84.030 -18.774 -13.151 1.00 1.00 C ATOM 145 C TYR A 11 83.791 -17.270 -13.233 1.00 1.00 C ATOM 146 O TYR A 11 84.733 -16.488 -13.370 1.00 1.00 O ATOM 147 CB TYR A 11 85.526 -19.063 -13.282 1.00 1.00 C ATOM 148 CG TYR A 11 85.815 -20.459 -12.784 1.00 1.00 C ATOM 149 CD1 TYR A 11 85.828 -20.722 -11.409 1.00 1.00 C ATOM 150 CD2 TYR A 11 86.070 -21.489 -13.697 1.00 1.00 C ATOM 151 CE1 TYR A 11 86.095 -22.017 -10.947 1.00 1.00 C ATOM 152 CE2 TYR A 11 86.337 -22.783 -13.235 1.00 1.00 C ATOM 153 CZ TYR A 11 86.350 -23.047 -11.860 1.00 1.00 C ATOM 154 OH TYR A 11 86.614 -24.323 -11.405 1.00 1.00 O ATOM 0 H TYR A 11 83.780 -19.516 -15.099 1.00 1.00 H new ATOM 0 HA TYR A 11 83.674 -19.135 -12.186 1.00 1.00 H new ATOM 0 HB2 TYR A 11 85.836 -18.965 -14.322 1.00 1.00 H new ATOM 0 HB3 TYR A 11 86.099 -18.335 -12.708 1.00 1.00 H new ATOM 0 HD1 TYR A 11 85.632 -19.927 -10.705 1.00 1.00 H new ATOM 0 HD2 TYR A 11 86.061 -21.285 -14.758 1.00 1.00 H new ATOM 0 HE1 TYR A 11 86.104 -22.221 -9.886 1.00 1.00 H new ATOM 0 HE2 TYR A 11 86.533 -23.578 -13.939 1.00 1.00 H new ATOM 0 HH TYR A 11 86.768 -24.917 -12.169 1.00 1.00 H new ATOM 164 N GLY A 12 82.526 -16.870 -13.147 1.00 1.00 N ATOM 165 CA GLY A 12 82.175 -15.456 -13.213 1.00 1.00 C ATOM 166 C GLY A 12 80.744 -15.228 -12.739 1.00 1.00 C ATOM 167 O GLY A 12 80.452 -14.234 -12.074 1.00 1.00 O ATOM 0 H GLY A 12 81.732 -17.500 -13.032 1.00 1.00 H new ATOM 0 HA2 GLY A 12 82.863 -14.877 -12.597 1.00 1.00 H new ATOM 0 HA3 GLY A 12 82.285 -15.097 -14.236 1.00 1.00 H new ATOM 171 N ALA A 13 79.856 -16.154 -13.086 1.00 1.00 N ATOM 172 CA ALA A 13 78.457 -16.043 -12.689 1.00 1.00 C ATOM 173 C ALA A 13 77.677 -17.278 -13.128 1.00 1.00 C ATOM 174 O ALA A 13 77.643 -18.286 -12.422 1.00 1.00 O ATOM 175 CB ALA A 13 77.834 -14.795 -13.317 1.00 1.00 C ATOM 0 H ALA A 13 80.078 -16.983 -13.637 1.00 1.00 H new ATOM 0 HA ALA A 13 78.412 -15.965 -11.603 1.00 1.00 H new ATOM 0 HB1 ALA A 13 76.789 -14.719 -13.016 1.00 1.00 H new ATOM 0 HB2 ALA A 13 78.374 -13.910 -12.980 1.00 1.00 H new ATOM 0 HB3 ALA A 13 77.894 -14.865 -14.403 1.00 1.00 H new ATOM 181 N ASP A 14 77.050 -17.192 -14.297 1.00 1.00 N ATOM 182 CA ASP A 14 76.273 -18.309 -14.820 1.00 1.00 C ATOM 183 C ASP A 14 75.159 -18.688 -13.848 1.00 1.00 C ATOM 184 O ASP A 14 74.445 -19.669 -14.058 1.00 1.00 O ATOM 185 CB ASP A 14 77.183 -19.517 -15.051 1.00 1.00 C ATOM 186 CG ASP A 14 76.771 -20.244 -16.325 1.00 1.00 C ATOM 187 OD1 ASP A 14 77.104 -19.759 -17.394 1.00 1.00 O ATOM 188 OD2 ASP A 14 76.128 -21.276 -16.215 1.00 1.00 O ATOM 0 H ASP A 14 77.064 -16.367 -14.896 1.00 1.00 H new ATOM 0 HA ASP A 14 75.827 -18.005 -15.767 1.00 1.00 H new ATOM 0 HB2 ASP A 14 78.221 -19.192 -15.127 1.00 1.00 H new ATOM 0 HB3 ASP A 14 77.124 -20.195 -14.200 1.00 1.00 H new ATOM 193 N ASN A 15 75.016 -17.904 -12.785 1.00 1.00 N ATOM 194 CA ASN A 15 73.986 -18.167 -11.787 1.00 1.00 C ATOM 195 C ASN A 15 73.785 -16.949 -10.890 1.00 1.00 C ATOM 196 O ASN A 15 73.772 -17.064 -9.665 1.00 1.00 O ATOM 197 CB ASN A 15 74.382 -19.373 -10.932 1.00 1.00 C ATOM 198 CG ASN A 15 73.155 -19.932 -10.219 1.00 1.00 C ATOM 199 OD1 ASN A 15 72.453 -20.784 -10.765 1.00 1.00 O ATOM 200 ND2 ASN A 15 72.852 -19.500 -9.026 1.00 1.00 N ATOM 0 H ASN A 15 75.596 -17.087 -12.593 1.00 1.00 H new ATOM 0 HA ASN A 15 73.051 -18.381 -12.305 1.00 1.00 H new ATOM 0 HB2 ASN A 15 74.830 -20.143 -11.560 1.00 1.00 H new ATOM 0 HB3 ASN A 15 75.135 -19.079 -10.201 1.00 1.00 H new ATOM 0 HD21 ASN A 15 72.032 -19.868 -8.543 1.00 1.00 H new ATOM 0 HD22 ASN A 15 73.435 -18.794 -8.576 1.00 1.00 H new ATOM 207 N GLN A 16 73.628 -15.784 -11.510 1.00 1.00 N ATOM 208 CA GLN A 16 73.429 -14.551 -10.757 1.00 1.00 C ATOM 209 C GLN A 16 72.100 -14.589 -10.009 1.00 1.00 C ATOM 210 O GLN A 16 71.968 -14.012 -8.928 1.00 1.00 O ATOM 211 CB GLN A 16 73.447 -13.351 -11.706 1.00 1.00 C ATOM 212 CG GLN A 16 72.602 -13.665 -12.943 1.00 1.00 C ATOM 213 CD GLN A 16 73.509 -14.008 -14.119 1.00 1.00 C ATOM 214 OE1 GLN A 16 73.773 -15.258 -14.385 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 73.990 -13.113 -14.815 1.00 1.00 N flip ATOM 0 H GLN A 16 73.635 -15.668 -12.523 1.00 1.00 H new ATOM 0 HA GLN A 16 74.238 -14.455 -10.033 1.00 1.00 H new ATOM 0 HB2 GLN A 16 73.056 -12.468 -11.200 1.00 1.00 H new ATOM 0 HB3 GLN A 16 74.471 -13.122 -12.001 1.00 1.00 H new ATOM 0 HG2 GLN A 16 71.932 -14.499 -12.734 1.00 1.00 H new ATOM 0 HG3 GLN A 16 71.976 -12.808 -13.193 1.00 1.00 H new ATOM 0 HE21 GLN A 16 73.782 -12.137 -14.605 1.00 1.00 H new ATOM 0 HE22 GLN A 16 74.596 -13.348 -15.601 1.00 1.00 H new ATOM 224 N SER A 17 71.119 -15.273 -10.589 1.00 1.00 N ATOM 225 CA SER A 17 69.804 -15.379 -9.967 1.00 1.00 C ATOM 226 C SER A 17 68.867 -16.212 -10.836 1.00 1.00 C ATOM 227 O SER A 17 67.922 -15.688 -11.426 1.00 1.00 O ATOM 228 CB SER A 17 69.209 -13.987 -9.761 1.00 1.00 C ATOM 229 OG SER A 17 69.698 -13.443 -8.543 1.00 1.00 O ATOM 0 H SER A 17 71.208 -15.759 -11.482 1.00 1.00 H new ATOM 0 HA SER A 17 69.919 -15.870 -9.001 1.00 1.00 H new ATOM 0 HB2 SER A 17 69.475 -13.338 -10.595 1.00 1.00 H new ATOM 0 HB3 SER A 17 68.121 -14.044 -9.736 1.00 1.00 H new ATOM 0 HG SER A 17 70.659 -13.268 -8.625 1.00 1.00 H new ATOM 235 N GLU A 18 69.135 -17.512 -10.910 1.00 1.00 N ATOM 236 CA GLU A 18 68.308 -18.408 -11.710 1.00 1.00 C ATOM 237 C GLU A 18 67.325 -19.165 -10.823 1.00 1.00 C ATOM 238 O GLU A 18 67.343 -20.394 -10.767 1.00 1.00 O ATOM 239 CB GLU A 18 69.194 -19.406 -12.460 1.00 1.00 C ATOM 240 CG GLU A 18 68.318 -20.324 -13.314 1.00 1.00 C ATOM 241 CD GLU A 18 68.842 -20.360 -14.746 1.00 1.00 C ATOM 242 OE1 GLU A 18 69.714 -21.170 -15.016 1.00 1.00 O ATOM 243 OE2 GLU A 18 68.363 -19.579 -15.551 1.00 1.00 O ATOM 0 H GLU A 18 69.912 -17.966 -10.430 1.00 1.00 H new ATOM 0 HA GLU A 18 67.746 -17.810 -12.427 1.00 1.00 H new ATOM 0 HB2 GLU A 18 69.906 -18.874 -13.091 1.00 1.00 H new ATOM 0 HB3 GLU A 18 69.776 -19.996 -11.752 1.00 1.00 H new ATOM 0 HG2 GLU A 18 68.313 -21.330 -12.894 1.00 1.00 H new ATOM 0 HG3 GLU A 18 67.287 -19.970 -13.304 1.00 1.00 H new ATOM 250 N CYS A 19 66.468 -18.422 -10.131 1.00 1.00 N ATOM 251 CA CYS A 19 65.479 -19.034 -9.250 1.00 1.00 C ATOM 252 C CYS A 19 66.136 -19.510 -7.958 1.00 1.00 C ATOM 253 O CYS A 19 65.453 -19.856 -6.994 1.00 1.00 O ATOM 254 CB CYS A 19 64.815 -20.219 -9.953 1.00 1.00 C ATOM 255 SG CYS A 19 63.100 -20.367 -9.393 1.00 1.00 S ATOM 0 H CYS A 19 66.437 -17.403 -10.162 1.00 1.00 H new ATOM 0 HA CYS A 19 64.724 -18.287 -9.007 1.00 1.00 H new ATOM 0 HB2 CYS A 19 64.845 -20.078 -11.033 1.00 1.00 H new ATOM 0 HB3 CYS A 19 65.361 -21.137 -9.736 1.00 1.00 H new ATOM 0 HG CYS A 19 62.533 -21.373 -9.991 1.00 1.00 H new ATOM 261 N GLU A 20 67.465 -19.524 -7.945 1.00 1.00 N ATOM 262 CA GLU A 20 68.203 -19.961 -6.765 1.00 1.00 C ATOM 263 C GLU A 20 68.679 -18.758 -5.957 1.00 1.00 C ATOM 264 O GLU A 20 69.856 -18.662 -5.606 1.00 1.00 O ATOM 265 CB GLU A 20 69.407 -20.806 -7.185 1.00 1.00 C ATOM 266 CG GLU A 20 68.942 -21.936 -8.105 1.00 1.00 C ATOM 267 CD GLU A 20 69.475 -23.273 -7.599 1.00 1.00 C ATOM 268 OE1 GLU A 20 70.619 -23.581 -7.891 1.00 1.00 O ATOM 269 OE2 GLU A 20 68.732 -23.969 -6.926 1.00 1.00 O ATOM 0 H GLU A 20 68.049 -19.240 -8.731 1.00 1.00 H new ATOM 0 HA GLU A 20 67.538 -20.562 -6.144 1.00 1.00 H new ATOM 0 HB2 GLU A 20 70.140 -20.184 -7.698 1.00 1.00 H new ATOM 0 HB3 GLU A 20 69.900 -21.219 -6.305 1.00 1.00 H new ATOM 0 HG2 GLU A 20 67.853 -21.960 -8.143 1.00 1.00 H new ATOM 0 HG3 GLU A 20 69.293 -21.756 -9.121 1.00 1.00 H new ATOM 276 N TYR A 21 67.757 -17.845 -5.666 1.00 1.00 N ATOM 277 CA TYR A 21 68.090 -16.649 -4.898 1.00 1.00 C ATOM 278 C TYR A 21 67.067 -16.421 -3.788 1.00 1.00 C ATOM 279 O TYR A 21 67.394 -15.877 -2.733 1.00 1.00 O ATOM 280 CB TYR A 21 68.124 -15.430 -5.821 1.00 1.00 C ATOM 281 CG TYR A 21 66.723 -14.898 -6.006 1.00 1.00 C ATOM 282 CD1 TYR A 21 65.795 -15.621 -6.766 1.00 1.00 C ATOM 283 CD2 TYR A 21 66.352 -13.682 -5.420 1.00 1.00 C ATOM 284 CE1 TYR A 21 64.496 -15.129 -6.939 1.00 1.00 C ATOM 285 CE2 TYR A 21 65.053 -13.189 -5.593 1.00 1.00 C ATOM 286 CZ TYR A 21 64.124 -13.912 -6.352 1.00 1.00 C ATOM 287 OH TYR A 21 62.844 -13.427 -6.522 1.00 1.00 O ATOM 0 H TYR A 21 66.779 -17.909 -5.948 1.00 1.00 H new ATOM 0 HA TYR A 21 69.072 -16.792 -4.447 1.00 1.00 H new ATOM 0 HB2 TYR A 21 68.765 -14.657 -5.396 1.00 1.00 H new ATOM 0 HB3 TYR A 21 68.551 -15.703 -6.786 1.00 1.00 H new ATOM 0 HD1 TYR A 21 66.082 -16.559 -7.219 1.00 1.00 H new ATOM 0 HD2 TYR A 21 67.068 -13.124 -4.834 1.00 1.00 H new ATOM 0 HE1 TYR A 21 63.781 -15.687 -7.525 1.00 1.00 H new ATOM 0 HE2 TYR A 21 64.767 -12.251 -5.141 1.00 1.00 H new ATOM 0 HH TYR A 21 62.752 -12.574 -6.049 1.00 1.00 H new ATOM 297 N THR A 22 65.829 -16.840 -4.033 1.00 1.00 N ATOM 298 CA THR A 22 64.769 -16.675 -3.046 1.00 1.00 C ATOM 299 C THR A 22 63.554 -17.517 -3.414 1.00 1.00 C ATOM 300 O THR A 22 62.852 -18.027 -2.541 1.00 1.00 O ATOM 301 CB THR A 22 64.363 -15.202 -2.953 1.00 1.00 C ATOM 302 OG1 THR A 22 65.498 -14.422 -2.603 1.00 1.00 O ATOM 303 CG2 THR A 22 63.279 -15.035 -1.888 1.00 1.00 C ATOM 0 H THR A 22 65.537 -17.293 -4.899 1.00 1.00 H new ATOM 0 HA THR A 22 65.147 -17.009 -2.080 1.00 1.00 H new ATOM 0 HB THR A 22 63.975 -14.870 -3.916 1.00 1.00 H new ATOM 0 HG1 THR A 22 66.138 -14.978 -2.111 1.00 1.00 H new ATOM 0 HG21 THR A 22 62.991 -13.986 -1.823 1.00 1.00 H new ATOM 0 HG22 THR A 22 62.409 -15.634 -2.157 1.00 1.00 H new ATOM 0 HG23 THR A 22 63.663 -15.366 -0.923 1.00 1.00 H new ATOM 311 N ASP A 23 63.313 -17.658 -4.709 1.00 1.00 N ATOM 312 CA ASP A 23 62.181 -18.439 -5.184 1.00 1.00 C ATOM 313 C ASP A 23 62.484 -19.931 -5.094 1.00 1.00 C ATOM 314 O ASP A 23 61.700 -20.762 -5.554 1.00 1.00 O ATOM 315 CB ASP A 23 61.875 -18.062 -6.631 1.00 1.00 C ATOM 316 CG ASP A 23 60.456 -18.483 -6.995 1.00 1.00 C ATOM 317 OD1 ASP A 23 59.534 -18.008 -6.352 1.00 1.00 O ATOM 318 OD2 ASP A 23 60.311 -19.277 -7.910 1.00 1.00 O ATOM 0 H ASP A 23 63.883 -17.244 -5.446 1.00 1.00 H new ATOM 0 HA ASP A 23 61.316 -18.222 -4.557 1.00 1.00 H new ATOM 0 HB2 ASP A 23 61.989 -16.986 -6.766 1.00 1.00 H new ATOM 0 HB3 ASP A 23 62.588 -18.545 -7.299 1.00 1.00 H new ATOM 323 N TRP A 24 63.625 -20.263 -4.500 1.00 1.00 N ATOM 324 CA TRP A 24 64.020 -21.659 -4.354 1.00 1.00 C ATOM 325 C TRP A 24 63.100 -22.376 -3.371 1.00 1.00 C ATOM 326 O TRP A 24 63.111 -23.603 -3.278 1.00 1.00 O ATOM 327 CB TRP A 24 65.466 -21.746 -3.862 1.00 1.00 C ATOM 328 CG TRP A 24 65.511 -21.470 -2.393 1.00 1.00 C ATOM 329 CD1 TRP A 24 65.716 -20.253 -1.839 1.00 1.00 C ATOM 330 CD2 TRP A 24 65.353 -22.403 -1.286 1.00 1.00 C ATOM 331 NE1 TRP A 24 65.694 -20.380 -0.461 1.00 1.00 N ATOM 332 CE2 TRP A 24 65.473 -21.687 -0.072 1.00 1.00 C ATOM 333 CE3 TRP A 24 65.120 -23.789 -1.218 1.00 1.00 C ATOM 334 CZ2 TRP A 24 65.366 -22.322 1.166 1.00 1.00 C ATOM 335 CZ3 TRP A 24 65.011 -24.431 0.026 1.00 1.00 C ATOM 336 CH2 TRP A 24 65.134 -23.699 1.216 1.00 1.00 C ATOM 0 H TRP A 24 64.288 -19.590 -4.115 1.00 1.00 H new ATOM 0 HA TRP A 24 63.940 -22.143 -5.327 1.00 1.00 H new ATOM 0 HB2 TRP A 24 65.873 -22.736 -4.069 1.00 1.00 H new ATOM 0 HB3 TRP A 24 66.087 -21.028 -4.397 1.00 1.00 H new ATOM 0 HD1 TRP A 24 65.871 -19.333 -2.383 1.00 1.00 H new ATOM 0 HE1 TRP A 24 65.825 -19.604 0.188 1.00 1.00 H new ATOM 0 HE3 TRP A 24 65.024 -24.362 -2.128 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 65.462 -21.753 2.079 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 64.831 -25.495 0.067 1.00 1.00 H new ATOM 0 HH2 TRP A 24 65.050 -24.199 2.170 1.00 1.00 H new ATOM 347 N LYS A 25 62.305 -21.600 -2.640 1.00 1.00 N ATOM 348 CA LYS A 25 61.379 -22.169 -1.665 1.00 1.00 C ATOM 349 C LYS A 25 60.006 -21.515 -1.784 1.00 1.00 C ATOM 350 O LYS A 25 59.087 -21.843 -1.033 1.00 1.00 O ATOM 351 CB LYS A 25 61.922 -21.985 -0.241 1.00 1.00 C ATOM 352 CG LYS A 25 62.532 -20.586 -0.077 1.00 1.00 C ATOM 353 CD LYS A 25 61.448 -19.518 -0.249 1.00 1.00 C ATOM 354 CE LYS A 25 61.874 -18.239 0.474 1.00 1.00 C ATOM 355 NZ LYS A 25 61.762 -18.440 1.947 1.00 1.00 N ATOM 0 H LYS A 25 62.283 -20.582 -2.703 1.00 1.00 H new ATOM 0 HA LYS A 25 61.279 -23.235 -1.872 1.00 1.00 H new ATOM 0 HB2 LYS A 25 61.119 -22.125 0.482 1.00 1.00 H new ATOM 0 HB3 LYS A 25 62.676 -22.744 -0.032 1.00 1.00 H new ATOM 0 HG2 LYS A 25 62.992 -20.494 0.907 1.00 1.00 H new ATOM 0 HG3 LYS A 25 63.322 -20.436 -0.813 1.00 1.00 H new ATOM 0 HD2 LYS A 25 61.288 -19.314 -1.308 1.00 1.00 H new ATOM 0 HD3 LYS A 25 60.501 -19.878 0.153 1.00 1.00 H new ATOM 0 HE2 LYS A 25 62.900 -17.983 0.208 1.00 1.00 H new ATOM 0 HE3 LYS A 25 61.246 -17.405 0.161 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 61.399 -17.572 2.389 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 61.110 -19.226 2.141 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 62.699 -18.662 2.339 1.00 1.00 H new ATOM 369 N SER A 26 59.877 -20.592 -2.732 1.00 1.00 N ATOM 370 CA SER A 26 58.612 -19.896 -2.946 1.00 1.00 C ATOM 371 C SER A 26 57.944 -19.567 -1.614 1.00 1.00 C ATOM 372 O SER A 26 57.211 -20.385 -1.059 1.00 1.00 O ATOM 373 CB SER A 26 57.677 -20.762 -3.789 1.00 1.00 C ATOM 374 OG SER A 26 56.331 -20.509 -3.408 1.00 1.00 O ATOM 0 H SER A 26 60.628 -20.309 -3.361 1.00 1.00 H new ATOM 0 HA SER A 26 58.818 -18.964 -3.473 1.00 1.00 H new ATOM 0 HB2 SER A 26 57.815 -20.542 -4.848 1.00 1.00 H new ATOM 0 HB3 SER A 26 57.915 -21.817 -3.649 1.00 1.00 H new ATOM 0 HG SER A 26 56.202 -20.768 -2.472 1.00 1.00 H new ATOM 380 N SER A 27 58.204 -18.366 -1.107 1.00 1.00 N ATOM 381 CA SER A 27 57.621 -17.941 0.162 1.00 1.00 C ATOM 382 C SER A 27 57.764 -16.433 0.340 1.00 1.00 C ATOM 383 O SER A 27 56.865 -15.771 0.857 1.00 1.00 O ATOM 384 CB SER A 27 58.313 -18.661 1.319 1.00 1.00 C ATOM 385 OG SER A 27 57.567 -18.457 2.512 1.00 1.00 O ATOM 0 H SER A 27 58.809 -17.675 -1.550 1.00 1.00 H new ATOM 0 HA SER A 27 56.561 -18.195 0.157 1.00 1.00 H new ATOM 0 HB2 SER A 27 58.393 -19.727 1.104 1.00 1.00 H new ATOM 0 HB3 SER A 27 59.328 -18.284 1.442 1.00 1.00 H new ATOM 0 HG SER A 27 58.007 -18.919 3.256 1.00 1.00 H new ATOM 391 N GLY A 28 58.902 -15.897 -0.091 1.00 1.00 N ATOM 392 CA GLY A 28 59.153 -14.465 0.025 1.00 1.00 C ATOM 393 C GLY A 28 58.285 -13.679 -0.950 1.00 1.00 C ATOM 394 O GLY A 28 58.514 -12.491 -1.180 1.00 1.00 O ATOM 0 H GLY A 28 59.659 -16.428 -0.521 1.00 1.00 H new ATOM 0 HA2 GLY A 28 58.949 -14.138 1.045 1.00 1.00 H new ATOM 0 HA3 GLY A 28 60.205 -14.259 -0.172 1.00 1.00 H new ATOM 398 N ALA A 29 57.288 -14.350 -1.519 1.00 1.00 N ATOM 399 CA ALA A 29 56.387 -13.707 -2.469 1.00 1.00 C ATOM 400 C ALA A 29 54.937 -14.036 -2.133 1.00 1.00 C ATOM 401 O ALA A 29 54.012 -13.465 -2.712 1.00 1.00 O ATOM 402 CB ALA A 29 56.704 -14.178 -3.890 1.00 1.00 C ATOM 0 H ALA A 29 57.084 -15.333 -1.340 1.00 1.00 H new ATOM 0 HA ALA A 29 56.528 -12.628 -2.405 1.00 1.00 H new ATOM 0 HB1 ALA A 29 56.027 -13.693 -4.593 1.00 1.00 H new ATOM 0 HB2 ALA A 29 57.733 -13.918 -4.139 1.00 1.00 H new ATOM 0 HB3 ALA A 29 56.578 -15.259 -3.952 1.00 1.00 H new ATOM 408 N LEU A 30 54.749 -14.960 -1.194 1.00 1.00 N ATOM 409 CA LEU A 30 53.409 -15.365 -0.781 1.00 1.00 C ATOM 410 C LEU A 30 53.141 -14.941 0.659 1.00 1.00 C ATOM 411 O LEU A 30 51.991 -14.853 1.086 1.00 1.00 O ATOM 412 CB LEU A 30 53.263 -16.883 -0.902 1.00 1.00 C ATOM 413 CG LEU A 30 53.760 -17.336 -2.274 1.00 1.00 C ATOM 414 CD1 LEU A 30 53.599 -18.853 -2.401 1.00 1.00 C ATOM 415 CD2 LEU A 30 52.938 -16.646 -3.366 1.00 1.00 C ATOM 0 H LEU A 30 55.505 -15.441 -0.706 1.00 1.00 H new ATOM 0 HA LEU A 30 52.685 -14.876 -1.433 1.00 1.00 H new ATOM 0 HB2 LEU A 30 53.833 -17.377 -0.116 1.00 1.00 H new ATOM 0 HB3 LEU A 30 52.220 -17.170 -0.768 1.00 1.00 H new ATOM 0 HG LEU A 30 54.811 -17.071 -2.385 1.00 1.00 H new ATOM 0 HD11 LEU A 30 53.954 -19.176 -3.380 1.00 1.00 H new ATOM 0 HD12 LEU A 30 54.181 -19.347 -1.623 1.00 1.00 H new ATOM 0 HD13 LEU A 30 52.547 -19.118 -2.291 1.00 1.00 H new ATOM 0 HD21 LEU A 30 53.291 -16.968 -4.346 1.00 1.00 H new ATOM 0 HD22 LEU A 30 51.887 -16.913 -3.254 1.00 1.00 H new ATOM 0 HD23 LEU A 30 53.050 -15.565 -3.277 1.00 1.00 H new ATOM 427 N ILE A 31 54.211 -14.680 1.404 1.00 1.00 N ATOM 428 CA ILE A 31 54.076 -14.268 2.796 1.00 1.00 C ATOM 429 C ILE A 31 54.008 -12.741 2.931 1.00 1.00 C ATOM 430 O ILE A 31 53.310 -12.232 3.807 1.00 1.00 O ATOM 431 CB ILE A 31 55.243 -14.824 3.624 1.00 1.00 C ATOM 432 CG1 ILE A 31 54.893 -16.235 4.102 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.499 -13.931 4.843 1.00 1.00 C ATOM 434 CD1 ILE A 31 54.515 -17.101 2.899 1.00 1.00 C ATOM 0 H ILE A 31 55.173 -14.746 1.070 1.00 1.00 H new ATOM 0 HA ILE A 31 53.139 -14.674 3.176 1.00 1.00 H new ATOM 0 HB ILE A 31 56.139 -14.849 3.004 1.00 1.00 H new ATOM 0 HG12 ILE A 31 55.741 -16.674 4.627 1.00 1.00 H new ATOM 0 HG13 ILE A 31 54.065 -16.196 4.810 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.329 -14.336 5.423 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.746 -12.923 4.510 1.00 1.00 H new ATOM 0 HG23 ILE A 31 54.604 -13.899 5.465 1.00 1.00 H new ATOM 0 HD11 ILE A 31 54.266 -18.106 3.238 1.00 1.00 H new ATOM 0 HD12 ILE A 31 53.654 -16.665 2.393 1.00 1.00 H new ATOM 0 HD13 ILE A 31 55.356 -17.150 2.207 1.00 1.00 H new ATOM 446 N PRO A 32 54.708 -11.997 2.101 1.00 1.00 N ATOM 447 CA PRO A 32 54.700 -10.513 2.169 1.00 1.00 C ATOM 448 C PRO A 32 53.566 -9.899 1.351 1.00 1.00 C ATOM 449 O PRO A 32 53.559 -8.695 1.095 1.00 1.00 O ATOM 450 CB PRO A 32 56.060 -10.136 1.590 1.00 1.00 C ATOM 451 CG PRO A 32 56.409 -11.232 0.630 1.00 1.00 C ATOM 452 CD PRO A 32 55.581 -12.466 1.013 1.00 1.00 C ATOM 0 HA PRO A 32 54.537 -10.144 3.182 1.00 1.00 H new ATOM 0 HB2 PRO A 32 56.017 -9.171 1.084 1.00 1.00 H new ATOM 0 HB3 PRO A 32 56.810 -10.050 2.376 1.00 1.00 H new ATOM 0 HG2 PRO A 32 56.192 -10.928 -0.394 1.00 1.00 H new ATOM 0 HG3 PRO A 32 57.475 -11.457 0.676 1.00 1.00 H new ATOM 0 HD2 PRO A 32 55.000 -12.833 0.167 1.00 1.00 H new ATOM 0 HD3 PRO A 32 56.219 -13.287 1.341 1.00 1.00 H new ATOM 460 N ALA A 33 52.613 -10.736 0.946 1.00 1.00 N ATOM 461 CA ALA A 33 51.476 -10.268 0.156 1.00 1.00 C ATOM 462 C ALA A 33 50.175 -10.440 0.933 1.00 1.00 C ATOM 463 O ALA A 33 49.088 -10.211 0.402 1.00 1.00 O ATOM 464 CB ALA A 33 51.394 -11.051 -1.156 1.00 1.00 C ATOM 0 H ALA A 33 52.605 -11.735 1.150 1.00 1.00 H new ATOM 0 HA ALA A 33 51.620 -9.209 -0.060 1.00 1.00 H new ATOM 0 HB1 ALA A 33 50.544 -10.696 -1.739 1.00 1.00 H new ATOM 0 HB2 ALA A 33 52.312 -10.904 -1.726 1.00 1.00 H new ATOM 0 HB3 ALA A 33 51.268 -12.112 -0.939 1.00 1.00 H new ATOM 470 N ILE A 34 50.294 -10.842 2.193 1.00 1.00 N ATOM 471 CA ILE A 34 49.120 -11.041 3.037 1.00 1.00 C ATOM 472 C ILE A 34 49.379 -10.541 4.458 1.00 1.00 C ATOM 473 O ILE A 34 48.449 -10.165 5.171 1.00 1.00 O ATOM 474 CB ILE A 34 48.756 -12.521 3.078 1.00 1.00 C ATOM 475 CG1 ILE A 34 50.032 -13.353 2.984 1.00 1.00 C ATOM 476 CG2 ILE A 34 47.841 -12.857 1.899 1.00 1.00 C ATOM 477 CD1 ILE A 34 49.751 -14.770 3.484 1.00 1.00 C ATOM 0 H ILE A 34 51.185 -11.036 2.651 1.00 1.00 H new ATOM 0 HA ILE A 34 48.294 -10.471 2.612 1.00 1.00 H new ATOM 0 HB ILE A 34 48.238 -12.745 4.011 1.00 1.00 H new ATOM 0 HG12 ILE A 34 50.385 -13.382 1.953 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.822 -12.895 3.579 1.00 1.00 H new ATOM 0 HG21 ILE A 34 47.582 -13.915 1.930 1.00 1.00 H new ATOM 0 HG22 ILE A 34 46.932 -12.259 1.962 1.00 1.00 H new ATOM 0 HG23 ILE A 34 48.356 -12.637 0.964 1.00 1.00 H new ATOM 0 HD11 ILE A 34 50.661 -15.366 3.418 1.00 1.00 H new ATOM 0 HD12 ILE A 34 49.418 -14.730 4.521 1.00 1.00 H new ATOM 0 HD13 ILE A 34 48.974 -15.225 2.870 1.00 1.00 H new ATOM 489 N TYR A 35 50.644 -10.546 4.867 1.00 1.00 N ATOM 490 CA TYR A 35 51.005 -10.097 6.207 1.00 1.00 C ATOM 491 C TYR A 35 50.859 -8.582 6.333 1.00 1.00 C ATOM 492 O TYR A 35 51.395 -7.973 7.259 1.00 1.00 O ATOM 493 CB TYR A 35 52.448 -10.504 6.517 1.00 1.00 C ATOM 494 CG TYR A 35 52.458 -11.852 7.198 1.00 1.00 C ATOM 495 CD1 TYR A 35 51.602 -12.867 6.755 1.00 1.00 C ATOM 496 CD2 TYR A 35 53.324 -12.086 8.273 1.00 1.00 C ATOM 497 CE1 TYR A 35 51.611 -14.116 7.387 1.00 1.00 C ATOM 498 CE2 TYR A 35 53.332 -13.334 8.906 1.00 1.00 C ATOM 499 CZ TYR A 35 52.475 -14.350 8.462 1.00 1.00 C ATOM 500 OH TYR A 35 52.485 -15.581 9.086 1.00 1.00 O ATOM 0 H TYR A 35 51.431 -10.853 4.295 1.00 1.00 H new ATOM 0 HA TYR A 35 50.330 -10.568 6.921 1.00 1.00 H new ATOM 0 HB2 TYR A 35 53.031 -10.546 5.597 1.00 1.00 H new ATOM 0 HB3 TYR A 35 52.917 -9.758 7.158 1.00 1.00 H new ATOM 0 HD1 TYR A 35 50.934 -12.686 5.925 1.00 1.00 H new ATOM 0 HD2 TYR A 35 53.986 -11.303 8.614 1.00 1.00 H new ATOM 0 HE1 TYR A 35 50.951 -14.899 7.045 1.00 1.00 H new ATOM 0 HE2 TYR A 35 53.998 -13.514 9.737 1.00 1.00 H new ATOM 0 HH TYR A 35 53.144 -15.575 9.812 1.00 1.00 H new ATOM 510 N MET A 36 50.128 -7.980 5.396 1.00 1.00 N ATOM 511 CA MET A 36 49.917 -6.534 5.409 1.00 1.00 C ATOM 512 C MET A 36 48.428 -6.205 5.334 1.00 1.00 C ATOM 513 O MET A 36 47.851 -5.679 6.286 1.00 1.00 O ATOM 514 CB MET A 36 50.640 -5.880 4.227 1.00 1.00 C ATOM 515 CG MET A 36 51.639 -6.866 3.611 1.00 1.00 C ATOM 516 SD MET A 36 50.754 -8.193 2.751 1.00 1.00 S ATOM 517 CE MET A 36 49.976 -7.185 1.466 1.00 1.00 C ATOM 0 H MET A 36 49.675 -8.468 4.623 1.00 1.00 H new ATOM 0 HA MET A 36 50.321 -6.143 6.343 1.00 1.00 H new ATOM 0 HB2 MET A 36 49.915 -5.567 3.475 1.00 1.00 H new ATOM 0 HB3 MET A 36 51.161 -4.983 4.561 1.00 1.00 H new ATOM 0 HG2 MET A 36 52.294 -6.344 2.914 1.00 1.00 H new ATOM 0 HG3 MET A 36 52.274 -7.287 4.390 1.00 1.00 H new ATOM 0 HE1 MET A 36 50.081 -7.681 0.501 1.00 1.00 H new ATOM 0 HE2 MET A 36 48.918 -7.057 1.695 1.00 1.00 H new ATOM 0 HE3 MET A 36 50.460 -6.209 1.426 1.00 1.00 H new ATOM 527 N LEU A 37 47.811 -6.511 4.196 1.00 1.00 N ATOM 528 CA LEU A 37 46.389 -6.238 4.007 1.00 1.00 C ATOM 529 C LEU A 37 45.584 -6.717 5.210 1.00 1.00 C ATOM 530 O LEU A 37 44.413 -6.370 5.365 1.00 1.00 O ATOM 531 CB LEU A 37 45.886 -6.937 2.743 1.00 1.00 C ATOM 532 CG LEU A 37 46.193 -6.068 1.524 1.00 1.00 C ATOM 533 CD1 LEU A 37 46.371 -6.958 0.292 1.00 1.00 C ATOM 534 CD2 LEU A 37 45.034 -5.097 1.287 1.00 1.00 C ATOM 0 H LEU A 37 48.270 -6.945 3.395 1.00 1.00 H new ATOM 0 HA LEU A 37 46.258 -5.161 3.904 1.00 1.00 H new ATOM 0 HB2 LEU A 37 46.364 -7.911 2.638 1.00 1.00 H new ATOM 0 HB3 LEU A 37 44.813 -7.115 2.815 1.00 1.00 H new ATOM 0 HG LEU A 37 47.110 -5.506 1.701 1.00 1.00 H new ATOM 0 HD11 LEU A 37 46.590 -6.337 -0.577 1.00 1.00 H new ATOM 0 HD12 LEU A 37 47.195 -7.651 0.460 1.00 1.00 H new ATOM 0 HD13 LEU A 37 45.455 -7.521 0.114 1.00 1.00 H new ATOM 0 HD21 LEU A 37 45.251 -4.476 0.418 1.00 1.00 H new ATOM 0 HD22 LEU A 37 44.118 -5.660 1.111 1.00 1.00 H new ATOM 0 HD23 LEU A 37 44.906 -4.462 2.164 1.00 1.00 H new ATOM 546 N VAL A 38 46.221 -7.515 6.058 1.00 1.00 N ATOM 547 CA VAL A 38 45.561 -8.040 7.246 1.00 1.00 C ATOM 548 C VAL A 38 46.010 -7.276 8.483 1.00 1.00 C ATOM 549 O VAL A 38 45.196 -6.707 9.210 1.00 1.00 O ATOM 550 CB VAL A 38 45.908 -9.519 7.419 1.00 1.00 C ATOM 551 CG1 VAL A 38 45.062 -10.111 8.548 1.00 1.00 C ATOM 552 CG2 VAL A 38 45.617 -10.270 6.117 1.00 1.00 C ATOM 0 H VAL A 38 47.190 -7.812 5.946 1.00 1.00 H new ATOM 0 HA VAL A 38 44.484 -7.924 7.124 1.00 1.00 H new ATOM 0 HB VAL A 38 46.965 -9.617 7.665 1.00 1.00 H new ATOM 0 HG11 VAL A 38 45.308 -11.165 8.673 1.00 1.00 H new ATOM 0 HG12 VAL A 38 45.269 -9.578 9.476 1.00 1.00 H new ATOM 0 HG13 VAL A 38 44.005 -10.012 8.301 1.00 1.00 H new ATOM 0 HG21 VAL A 38 45.865 -11.324 6.242 1.00 1.00 H new ATOM 0 HG22 VAL A 38 44.560 -10.173 5.869 1.00 1.00 H new ATOM 0 HG23 VAL A 38 46.219 -9.849 5.312 1.00 1.00 H new ATOM 562 N PHE A 39 47.316 -7.274 8.712 1.00 1.00 N ATOM 563 CA PHE A 39 47.886 -6.586 9.862 1.00 1.00 C ATOM 564 C PHE A 39 47.823 -5.073 9.674 1.00 1.00 C ATOM 565 O PHE A 39 48.739 -4.351 10.067 1.00 1.00 O ATOM 566 CB PHE A 39 49.339 -7.023 10.044 1.00 1.00 C ATOM 567 CG PHE A 39 49.381 -8.501 10.347 1.00 1.00 C ATOM 568 CD1 PHE A 39 49.273 -9.430 9.305 1.00 1.00 C ATOM 569 CD2 PHE A 39 49.527 -8.942 11.667 1.00 1.00 C ATOM 570 CE1 PHE A 39 49.311 -10.802 9.585 1.00 1.00 C ATOM 571 CE2 PHE A 39 49.565 -10.314 11.946 1.00 1.00 C ATOM 572 CZ PHE A 39 49.457 -11.244 10.905 1.00 1.00 C ATOM 0 H PHE A 39 48.000 -7.741 8.117 1.00 1.00 H new ATOM 0 HA PHE A 39 47.307 -6.846 10.748 1.00 1.00 H new ATOM 0 HB2 PHE A 39 49.911 -6.809 9.141 1.00 1.00 H new ATOM 0 HB3 PHE A 39 49.801 -6.460 10.855 1.00 1.00 H new ATOM 0 HD1 PHE A 39 49.161 -9.089 8.286 1.00 1.00 H new ATOM 0 HD2 PHE A 39 49.610 -8.225 12.470 1.00 1.00 H new ATOM 0 HE1 PHE A 39 49.228 -11.519 8.782 1.00 1.00 H new ATOM 0 HE2 PHE A 39 49.678 -10.655 12.965 1.00 1.00 H new ATOM 0 HZ PHE A 39 49.486 -12.302 11.120 1.00 1.00 H new ATOM 582 N LEU A 40 46.737 -4.600 9.071 1.00 1.00 N ATOM 583 CA LEU A 40 46.564 -3.171 8.839 1.00 1.00 C ATOM 584 C LEU A 40 45.124 -2.753 9.115 1.00 1.00 C ATOM 585 O LEU A 40 44.805 -1.565 9.129 1.00 1.00 O ATOM 586 CB LEU A 40 46.929 -2.828 7.392 1.00 1.00 C ATOM 587 CG LEU A 40 48.420 -2.502 7.304 1.00 1.00 C ATOM 588 CD1 LEU A 40 48.919 -2.771 5.883 1.00 1.00 C ATOM 589 CD2 LEU A 40 48.640 -1.027 7.649 1.00 1.00 C ATOM 0 H LEU A 40 45.968 -5.181 8.736 1.00 1.00 H new ATOM 0 HA LEU A 40 47.223 -2.630 9.518 1.00 1.00 H new ATOM 0 HB2 LEU A 40 46.690 -3.666 6.737 1.00 1.00 H new ATOM 0 HB3 LEU A 40 46.339 -1.978 7.049 1.00 1.00 H new ATOM 0 HG LEU A 40 48.970 -3.127 8.007 1.00 1.00 H new ATOM 0 HD11 LEU A 40 49.982 -2.538 5.821 1.00 1.00 H new ATOM 0 HD12 LEU A 40 48.762 -3.821 5.635 1.00 1.00 H new ATOM 0 HD13 LEU A 40 48.369 -2.146 5.180 1.00 1.00 H new ATOM 0 HD21 LEU A 40 49.703 -0.793 7.587 1.00 1.00 H new ATOM 0 HD22 LEU A 40 48.089 -0.403 6.945 1.00 1.00 H new ATOM 0 HD23 LEU A 40 48.285 -0.833 8.661 1.00 1.00 H new ATOM 601 N LEU A 41 44.260 -3.743 9.335 1.00 1.00 N ATOM 602 CA LEU A 41 42.851 -3.477 9.611 1.00 1.00 C ATOM 603 C LEU A 41 42.488 -3.935 11.021 1.00 1.00 C ATOM 604 O LEU A 41 41.753 -3.254 11.735 1.00 1.00 O ATOM 605 CB LEU A 41 41.974 -4.208 8.594 1.00 1.00 C ATOM 606 CG LEU A 41 42.505 -3.951 7.184 1.00 1.00 C ATOM 607 CD1 LEU A 41 41.610 -4.657 6.163 1.00 1.00 C ATOM 608 CD2 LEU A 41 42.505 -2.447 6.905 1.00 1.00 C ATOM 0 H LEU A 41 44.510 -4.732 9.327 1.00 1.00 H new ATOM 0 HA LEU A 41 42.679 -2.403 9.533 1.00 1.00 H new ATOM 0 HB2 LEU A 41 41.971 -5.278 8.803 1.00 1.00 H new ATOM 0 HB3 LEU A 41 40.943 -3.864 8.674 1.00 1.00 H new ATOM 0 HG LEU A 41 43.521 -4.337 7.104 1.00 1.00 H new ATOM 0 HD11 LEU A 41 41.989 -4.473 5.158 1.00 1.00 H new ATOM 0 HD12 LEU A 41 41.609 -5.729 6.360 1.00 1.00 H new ATOM 0 HD13 LEU A 41 40.593 -4.272 6.243 1.00 1.00 H new ATOM 0 HD21 LEU A 41 42.884 -2.263 5.900 1.00 1.00 H new ATOM 0 HD22 LEU A 41 41.488 -2.062 6.986 1.00 1.00 H new ATOM 0 HD23 LEU A 41 43.143 -1.942 7.631 1.00 1.00 H new ATOM 620 N GLY A 42 43.005 -5.095 11.413 1.00 1.00 N ATOM 621 CA GLY A 42 42.726 -5.636 12.738 1.00 1.00 C ATOM 622 C GLY A 42 43.594 -4.961 13.796 1.00 1.00 C ATOM 623 O GLY A 42 43.849 -5.530 14.858 1.00 1.00 O ATOM 0 H GLY A 42 43.615 -5.675 10.837 1.00 1.00 H new ATOM 0 HA2 GLY A 42 41.673 -5.492 12.980 1.00 1.00 H new ATOM 0 HA3 GLY A 42 42.910 -6.710 12.743 1.00 1.00 H new ATOM 627 N THR A 43 44.045 -3.747 13.498 1.00 1.00 N ATOM 628 CA THR A 43 44.883 -3.004 14.432 1.00 1.00 C ATOM 629 C THR A 43 44.988 -1.543 14.012 1.00 1.00 C ATOM 630 O THR A 43 44.180 -0.714 14.430 1.00 1.00 O ATOM 631 CB THR A 43 46.282 -3.625 14.485 1.00 1.00 C ATOM 632 OG1 THR A 43 47.236 -2.612 14.773 1.00 1.00 O ATOM 633 CG2 THR A 43 46.608 -4.269 13.137 1.00 1.00 C ATOM 0 H THR A 43 43.846 -3.260 12.624 1.00 1.00 H new ATOM 0 HA THR A 43 44.426 -3.053 15.420 1.00 1.00 H new ATOM 0 HB THR A 43 46.314 -4.386 15.264 1.00 1.00 H new ATOM 0 HG1 THR A 43 48.132 -3.007 14.809 1.00 1.00 H new ATOM 0 HG21 THR A 43 47.604 -4.711 13.176 1.00 1.00 H new ATOM 0 HG22 THR A 43 45.875 -5.046 12.918 1.00 1.00 H new ATOM 0 HG23 THR A 43 46.578 -3.511 12.355 1.00 1.00 H new ATOM 641 N THR A 44 45.990 -1.244 13.182 1.00 1.00 N ATOM 642 CA THR A 44 46.218 0.117 12.692 1.00 1.00 C ATOM 643 C THR A 44 45.791 1.157 13.726 1.00 1.00 C ATOM 644 O THR A 44 44.830 1.896 13.517 1.00 1.00 O ATOM 645 CB THR A 44 45.454 0.347 11.383 1.00 1.00 C ATOM 646 OG1 THR A 44 45.254 1.740 11.193 1.00 1.00 O ATOM 647 CG2 THR A 44 44.099 -0.362 11.436 1.00 1.00 C ATOM 0 H THR A 44 46.659 -1.930 12.834 1.00 1.00 H new ATOM 0 HA THR A 44 47.287 0.230 12.511 1.00 1.00 H new ATOM 0 HB THR A 44 46.034 -0.057 10.553 1.00 1.00 H new ATOM 0 HG1 THR A 44 44.660 2.084 11.892 1.00 1.00 H new ATOM 0 HG21 THR A 44 43.563 -0.193 10.502 1.00 1.00 H new ATOM 0 HG22 THR A 44 44.253 -1.432 11.578 1.00 1.00 H new ATOM 0 HG23 THR A 44 43.514 0.033 12.266 1.00 1.00 H new ATOM 655 N GLY A 45 46.514 1.205 14.840 1.00 1.00 N ATOM 656 CA GLY A 45 46.201 2.157 15.900 1.00 1.00 C ATOM 657 C GLY A 45 45.471 1.472 17.050 1.00 1.00 C ATOM 658 O GLY A 45 45.940 1.483 18.189 1.00 1.00 O ATOM 0 H GLY A 45 47.314 0.602 15.032 1.00 1.00 H new ATOM 0 HA2 GLY A 45 47.120 2.613 16.268 1.00 1.00 H new ATOM 0 HA3 GLY A 45 45.584 2.962 15.501 1.00 1.00 H new ATOM 662 N ASN A 46 44.322 0.879 16.745 1.00 1.00 N ATOM 663 CA ASN A 46 43.535 0.192 17.762 1.00 1.00 C ATOM 664 C ASN A 46 44.351 -0.924 18.409 1.00 1.00 C ATOM 665 O ASN A 46 43.932 -1.516 19.403 1.00 1.00 O ATOM 666 CB ASN A 46 42.270 -0.396 17.135 1.00 1.00 C ATOM 667 CG ASN A 46 42.123 -1.861 17.531 1.00 1.00 C ATOM 668 OD1 ASN A 46 41.758 -2.165 18.666 1.00 1.00 O ATOM 669 ND2 ASN A 46 42.389 -2.793 16.657 1.00 1.00 N ATOM 0 H ASN A 46 43.917 0.860 15.809 1.00 1.00 H new ATOM 0 HA ASN A 46 43.258 0.915 18.529 1.00 1.00 H new ATOM 0 HB2 ASN A 46 41.396 0.167 17.463 1.00 1.00 H new ATOM 0 HB3 ASN A 46 42.317 -0.307 16.050 1.00 1.00 H new ATOM 0 HD21 ASN A 46 42.294 -3.775 16.914 1.00 1.00 H new ATOM 0 HD22 ASN A 46 42.691 -2.539 15.717 1.00 1.00 H new ATOM 676 N GLY A 47 45.518 -1.204 17.839 1.00 1.00 N ATOM 677 CA GLY A 47 46.385 -2.250 18.367 1.00 1.00 C ATOM 678 C GLY A 47 47.435 -1.666 19.306 1.00 1.00 C ATOM 679 O GLY A 47 47.953 -2.360 20.181 1.00 1.00 O ATOM 0 H GLY A 47 45.883 -0.724 17.016 1.00 1.00 H new ATOM 0 HA2 GLY A 47 45.787 -2.989 18.899 1.00 1.00 H new ATOM 0 HA3 GLY A 47 46.876 -2.770 17.545 1.00 1.00 H new ATOM 683 N LEU A 48 47.744 -0.387 19.119 1.00 1.00 N ATOM 684 CA LEU A 48 48.735 0.282 19.954 1.00 1.00 C ATOM 685 C LEU A 48 48.051 1.198 20.964 1.00 1.00 C ATOM 686 O LEU A 48 48.655 2.149 21.461 1.00 1.00 O ATOM 687 CB LEU A 48 49.693 1.106 19.088 1.00 1.00 C ATOM 688 CG LEU A 48 49.504 0.748 17.611 1.00 1.00 C ATOM 689 CD1 LEU A 48 50.489 1.555 16.763 1.00 1.00 C ATOM 690 CD2 LEU A 48 49.766 -0.746 17.406 1.00 1.00 C ATOM 0 H LEU A 48 47.325 0.204 18.401 1.00 1.00 H new ATOM 0 HA LEU A 48 49.300 -0.482 20.489 1.00 1.00 H new ATOM 0 HB2 LEU A 48 49.509 2.170 19.239 1.00 1.00 H new ATOM 0 HB3 LEU A 48 50.723 0.915 19.388 1.00 1.00 H new ATOM 0 HG LEU A 48 48.483 0.982 17.310 1.00 1.00 H new ATOM 0 HD11 LEU A 48 50.356 1.302 15.711 1.00 1.00 H new ATOM 0 HD12 LEU A 48 50.305 2.620 16.906 1.00 1.00 H new ATOM 0 HD13 LEU A 48 51.509 1.319 17.067 1.00 1.00 H new ATOM 0 HD21 LEU A 48 49.631 -0.998 16.354 1.00 1.00 H new ATOM 0 HD22 LEU A 48 50.787 -0.981 17.707 1.00 1.00 H new ATOM 0 HD23 LEU A 48 49.067 -1.324 18.010 1.00 1.00 H new ATOM 702 N VAL A 49 46.789 0.905 21.261 1.00 1.00 N ATOM 703 CA VAL A 49 46.029 1.709 22.212 1.00 1.00 C ATOM 704 C VAL A 49 45.853 0.962 23.531 1.00 1.00 C ATOM 705 O VAL A 49 46.351 1.394 24.569 1.00 1.00 O ATOM 706 CB VAL A 49 44.657 2.045 21.628 1.00 1.00 C ATOM 707 CG1 VAL A 49 43.791 2.707 22.702 1.00 1.00 C ATOM 708 CG2 VAL A 49 44.828 3.005 20.448 1.00 1.00 C ATOM 0 H VAL A 49 46.273 0.122 20.860 1.00 1.00 H new ATOM 0 HA VAL A 49 46.581 2.630 22.402 1.00 1.00 H new ATOM 0 HB VAL A 49 44.174 1.130 21.287 1.00 1.00 H new ATOM 0 HG11 VAL A 49 42.813 2.946 22.284 1.00 1.00 H new ATOM 0 HG12 VAL A 49 43.669 2.024 23.543 1.00 1.00 H new ATOM 0 HG13 VAL A 49 44.273 3.623 23.045 1.00 1.00 H new ATOM 0 HG21 VAL A 49 43.850 3.246 20.030 1.00 1.00 H new ATOM 0 HG22 VAL A 49 45.312 3.920 20.790 1.00 1.00 H new ATOM 0 HG23 VAL A 49 45.444 2.534 19.682 1.00 1.00 H new ATOM 718 N LEU A 50 45.139 -0.160 23.478 1.00 1.00 N ATOM 719 CA LEU A 50 44.898 -0.963 24.674 1.00 1.00 C ATOM 720 C LEU A 50 45.675 -2.276 24.607 1.00 1.00 C ATOM 721 O LEU A 50 46.162 -2.771 25.623 1.00 1.00 O ATOM 722 CB LEU A 50 43.403 -1.260 24.812 1.00 1.00 C ATOM 723 CG LEU A 50 42.913 -2.013 23.574 1.00 1.00 C ATOM 724 CD1 LEU A 50 42.730 -3.493 23.916 1.00 1.00 C ATOM 725 CD2 LEU A 50 41.573 -1.428 23.121 1.00 1.00 C ATOM 0 H LEU A 50 44.720 -0.532 22.626 1.00 1.00 H new ATOM 0 HA LEU A 50 45.238 -0.397 25.541 1.00 1.00 H new ATOM 0 HB2 LEU A 50 43.221 -1.855 25.707 1.00 1.00 H new ATOM 0 HB3 LEU A 50 42.846 -0.330 24.928 1.00 1.00 H new ATOM 0 HG LEU A 50 43.646 -1.912 22.773 1.00 1.00 H new ATOM 0 HD11 LEU A 50 42.381 -4.030 23.034 1.00 1.00 H new ATOM 0 HD12 LEU A 50 43.682 -3.911 24.242 1.00 1.00 H new ATOM 0 HD13 LEU A 50 41.996 -3.594 24.716 1.00 1.00 H new ATOM 0 HD21 LEU A 50 41.222 -1.963 22.239 1.00 1.00 H new ATOM 0 HD22 LEU A 50 40.842 -1.531 23.923 1.00 1.00 H new ATOM 0 HD23 LEU A 50 41.700 -0.373 22.879 1.00 1.00 H new ATOM 737 N TRP A 51 45.785 -2.832 23.406 1.00 1.00 N ATOM 738 CA TRP A 51 46.504 -4.087 23.221 1.00 1.00 C ATOM 739 C TRP A 51 48.008 -3.866 23.356 1.00 1.00 C ATOM 740 O TRP A 51 48.805 -4.767 23.093 1.00 1.00 O ATOM 741 CB TRP A 51 46.191 -4.671 21.842 1.00 1.00 C ATOM 742 CG TRP A 51 46.955 -5.942 21.652 1.00 1.00 C ATOM 743 CD1 TRP A 51 47.979 -6.111 20.785 1.00 1.00 C ATOM 744 CD2 TRP A 51 46.774 -7.221 22.326 1.00 1.00 C ATOM 745 NE1 TRP A 51 48.439 -7.411 20.884 1.00 1.00 N ATOM 746 CE2 TRP A 51 47.728 -8.135 21.820 1.00 1.00 C ATOM 747 CE3 TRP A 51 45.884 -7.672 23.318 1.00 1.00 C ATOM 748 CZ2 TRP A 51 47.796 -9.450 22.282 1.00 1.00 C ATOM 749 CZ3 TRP A 51 45.950 -8.995 23.783 1.00 1.00 C ATOM 750 CH2 TRP A 51 46.904 -9.882 23.266 1.00 1.00 C ATOM 0 H TRP A 51 45.389 -2.438 22.552 1.00 1.00 H new ATOM 0 HA TRP A 51 46.181 -4.787 23.991 1.00 1.00 H new ATOM 0 HB2 TRP A 51 45.122 -4.860 21.750 1.00 1.00 H new ATOM 0 HB3 TRP A 51 46.456 -3.955 21.064 1.00 1.00 H new ATOM 0 HD1 TRP A 51 48.373 -5.354 20.123 1.00 1.00 H new ATOM 0 HE1 TRP A 51 49.210 -7.789 20.333 1.00 1.00 H new ATOM 0 HE3 TRP A 51 45.146 -6.996 23.724 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 48.534 -10.129 21.881 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 45.261 -9.331 24.544 1.00 1.00 H new ATOM 0 HH2 TRP A 51 46.949 -10.898 23.628 1.00 1.00 H new ATOM 761 N THR A 52 48.388 -2.660 23.765 1.00 1.00 N ATOM 762 CA THR A 52 49.800 -2.330 23.931 1.00 1.00 C ATOM 763 C THR A 52 50.297 -2.782 25.301 1.00 1.00 C ATOM 764 O THR A 52 51.502 -2.884 25.531 1.00 1.00 O ATOM 765 CB THR A 52 50.004 -0.821 23.784 1.00 1.00 C ATOM 766 OG1 THR A 52 51.381 -0.514 23.941 1.00 1.00 O ATOM 767 CG2 THR A 52 49.191 -0.087 24.852 1.00 1.00 C ATOM 0 H THR A 52 47.744 -1.900 23.986 1.00 1.00 H new ATOM 0 HA THR A 52 50.369 -2.850 23.160 1.00 1.00 H new ATOM 0 HB THR A 52 49.671 -0.504 22.796 1.00 1.00 H new ATOM 0 HG1 THR A 52 51.514 0.452 23.846 1.00 1.00 H new ATOM 0 HG21 THR A 52 49.337 0.988 24.746 1.00 1.00 H new ATOM 0 HG22 THR A 52 48.134 -0.323 24.731 1.00 1.00 H new ATOM 0 HG23 THR A 52 49.522 -0.402 25.842 1.00 1.00 H new ATOM 775 N VAL A 53 49.363 -3.051 26.206 1.00 1.00 N ATOM 776 CA VAL A 53 49.719 -3.491 27.550 1.00 1.00 C ATOM 777 C VAL A 53 50.059 -4.978 27.555 1.00 1.00 C ATOM 778 O VAL A 53 50.945 -5.419 28.287 1.00 1.00 O ATOM 779 CB VAL A 53 48.558 -3.227 28.510 1.00 1.00 C ATOM 780 CG1 VAL A 53 49.019 -3.473 29.949 1.00 1.00 C ATOM 781 CG2 VAL A 53 48.097 -1.776 28.365 1.00 1.00 C ATOM 0 H VAL A 53 48.360 -2.973 26.036 1.00 1.00 H new ATOM 0 HA VAL A 53 50.594 -2.929 27.876 1.00 1.00 H new ATOM 0 HB VAL A 53 47.732 -3.897 28.273 1.00 1.00 H new ATOM 0 HG11 VAL A 53 48.192 -3.285 30.633 1.00 1.00 H new ATOM 0 HG12 VAL A 53 49.349 -4.507 30.054 1.00 1.00 H new ATOM 0 HG13 VAL A 53 49.845 -2.803 30.186 1.00 1.00 H new ATOM 0 HG21 VAL A 53 47.270 -1.587 29.049 1.00 1.00 H new ATOM 0 HG22 VAL A 53 48.924 -1.106 28.602 1.00 1.00 H new ATOM 0 HG23 VAL A 53 47.769 -1.599 27.341 1.00 1.00 H new ATOM 791 N PHE A 54 49.349 -5.745 26.734 1.00 1.00 N ATOM 792 CA PHE A 54 49.585 -7.182 26.653 1.00 1.00 C ATOM 793 C PHE A 54 50.692 -7.488 25.648 1.00 1.00 C ATOM 794 O PHE A 54 50.989 -8.650 25.373 1.00 1.00 O ATOM 795 CB PHE A 54 48.301 -7.899 26.235 1.00 1.00 C ATOM 796 CG PHE A 54 47.688 -8.579 27.437 1.00 1.00 C ATOM 797 CD1 PHE A 54 47.489 -7.858 28.620 1.00 1.00 C ATOM 798 CD2 PHE A 54 47.321 -9.928 27.368 1.00 1.00 C ATOM 799 CE1 PHE A 54 46.922 -8.486 29.735 1.00 1.00 C ATOM 800 CE2 PHE A 54 46.754 -10.556 28.483 1.00 1.00 C ATOM 801 CZ PHE A 54 46.554 -9.836 29.667 1.00 1.00 C ATOM 0 H PHE A 54 48.611 -5.399 26.120 1.00 1.00 H new ATOM 0 HA PHE A 54 49.895 -7.536 27.636 1.00 1.00 H new ATOM 0 HB2 PHE A 54 47.596 -7.185 25.809 1.00 1.00 H new ATOM 0 HB3 PHE A 54 48.518 -8.634 25.460 1.00 1.00 H new ATOM 0 HD1 PHE A 54 47.773 -6.817 28.672 1.00 1.00 H new ATOM 0 HD2 PHE A 54 47.475 -10.484 26.455 1.00 1.00 H new ATOM 0 HE1 PHE A 54 46.768 -7.930 30.648 1.00 1.00 H new ATOM 0 HE2 PHE A 54 46.471 -11.597 28.430 1.00 1.00 H new ATOM 0 HZ PHE A 54 46.116 -10.321 30.527 1.00 1.00 H new ATOM 811 N ARG A 55 51.298 -6.437 25.105 1.00 1.00 N ATOM 812 CA ARG A 55 52.370 -6.604 24.131 1.00 1.00 C ATOM 813 C ARG A 55 53.730 -6.387 24.789 1.00 1.00 C ATOM 814 O ARG A 55 54.541 -7.309 24.880 1.00 1.00 O ATOM 815 CB ARG A 55 52.192 -5.611 22.982 1.00 1.00 C ATOM 816 CG ARG A 55 53.138 -5.981 21.836 1.00 1.00 C ATOM 817 CD ARG A 55 52.341 -6.632 20.705 1.00 1.00 C ATOM 818 NE ARG A 55 51.673 -7.836 21.187 1.00 1.00 N ATOM 819 CZ ARG A 55 51.269 -8.781 20.344 1.00 1.00 C ATOM 820 NH1 ARG A 55 51.466 -8.641 19.062 1.00 1.00 N ATOM 821 NH2 ARG A 55 50.675 -9.850 20.800 1.00 1.00 N ATOM 0 H ARG A 55 51.067 -5.467 25.321 1.00 1.00 H new ATOM 0 HA ARG A 55 52.326 -7.621 23.741 1.00 1.00 H new ATOM 0 HB2 ARG A 55 51.159 -5.623 22.634 1.00 1.00 H new ATOM 0 HB3 ARG A 55 52.400 -4.598 23.327 1.00 1.00 H new ATOM 0 HG2 ARG A 55 53.648 -5.090 21.469 1.00 1.00 H new ATOM 0 HG3 ARG A 55 53.908 -6.665 22.193 1.00 1.00 H new ATOM 0 HD2 ARG A 55 51.604 -5.928 20.318 1.00 1.00 H new ATOM 0 HD3 ARG A 55 53.006 -6.883 19.879 1.00 1.00 H new ATOM 0 HE ARG A 55 51.513 -7.955 22.187 1.00 1.00 H new ATOM 0 HH11 ARG A 55 51.930 -7.806 18.706 1.00 1.00 H new ATOM 0 HH12 ARG A 55 51.156 -9.367 18.416 1.00 1.00 H new ATOM 0 HH21 ARG A 55 50.521 -9.960 21.802 1.00 1.00 H new ATOM 0 HH22 ARG A 55 50.365 -10.576 20.154 1.00 1.00 H new ATOM 835 N LYS A 56 53.971 -5.163 25.246 1.00 1.00 N ATOM 836 CA LYS A 56 55.236 -4.836 25.894 1.00 1.00 C ATOM 837 C LYS A 56 55.508 -5.792 27.051 1.00 1.00 C ATOM 838 O LYS A 56 56.657 -6.132 27.332 1.00 1.00 O ATOM 839 CB LYS A 56 55.199 -3.398 26.417 1.00 1.00 C ATOM 840 CG LYS A 56 55.157 -2.427 25.234 1.00 1.00 C ATOM 841 CD LYS A 56 55.070 -0.991 25.756 1.00 1.00 C ATOM 842 CE LYS A 56 53.749 -0.364 25.310 1.00 1.00 C ATOM 843 NZ LYS A 56 53.638 1.012 25.871 1.00 1.00 N ATOM 0 H LYS A 56 53.313 -4.386 25.181 1.00 1.00 H new ATOM 0 HA LYS A 56 56.035 -4.935 25.159 1.00 1.00 H new ATOM 0 HB2 LYS A 56 54.325 -3.253 27.052 1.00 1.00 H new ATOM 0 HB3 LYS A 56 56.077 -3.201 27.033 1.00 1.00 H new ATOM 0 HG2 LYS A 56 56.048 -2.548 24.618 1.00 1.00 H new ATOM 0 HG3 LYS A 56 54.299 -2.647 24.599 1.00 1.00 H new ATOM 0 HD2 LYS A 56 55.139 -0.984 26.844 1.00 1.00 H new ATOM 0 HD3 LYS A 56 55.908 -0.405 25.379 1.00 1.00 H new ATOM 0 HE2 LYS A 56 53.700 -0.330 24.222 1.00 1.00 H new ATOM 0 HE3 LYS A 56 52.912 -0.975 25.648 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 52.739 1.439 25.568 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 53.667 0.967 26.910 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 54.430 1.592 25.528 1.00 1.00 H new ATOM 857 N LYS A 57 54.443 -6.222 27.720 1.00 1.00 N ATOM 858 CA LYS A 57 54.578 -7.140 28.846 1.00 1.00 C ATOM 859 C LYS A 57 54.354 -8.579 28.393 1.00 1.00 C ATOM 860 O LYS A 57 54.531 -9.518 29.170 1.00 1.00 O ATOM 861 CB LYS A 57 53.566 -6.781 29.935 1.00 1.00 C ATOM 862 CG LYS A 57 53.475 -5.260 30.069 1.00 1.00 C ATOM 863 CD LYS A 57 54.870 -4.686 30.326 1.00 1.00 C ATOM 864 CE LYS A 57 54.744 -3.347 31.057 1.00 1.00 C ATOM 865 NZ LYS A 57 56.025 -2.594 30.935 1.00 1.00 N ATOM 0 H LYS A 57 53.483 -5.952 27.504 1.00 1.00 H new ATOM 0 HA LYS A 57 55.588 -7.051 29.246 1.00 1.00 H new ATOM 0 HB2 LYS A 57 52.588 -7.194 29.687 1.00 1.00 H new ATOM 0 HB3 LYS A 57 53.867 -7.223 30.885 1.00 1.00 H new ATOM 0 HG2 LYS A 57 53.054 -4.829 29.161 1.00 1.00 H new ATOM 0 HG3 LYS A 57 52.805 -4.996 30.887 1.00 1.00 H new ATOM 0 HD2 LYS A 57 55.458 -5.384 30.922 1.00 1.00 H new ATOM 0 HD3 LYS A 57 55.398 -4.549 29.382 1.00 1.00 H new ATOM 0 HE2 LYS A 57 53.925 -2.765 30.634 1.00 1.00 H new ATOM 0 HE3 LYS A 57 54.506 -3.515 32.108 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 55.941 -1.684 31.431 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 56.796 -3.149 31.358 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 56.233 -2.423 29.930 1.00 1.00 H new ATOM 879 N GLY A 58 53.966 -8.745 27.134 1.00 1.00 N ATOM 880 CA GLY A 58 53.721 -10.074 26.589 1.00 1.00 C ATOM 881 C GLY A 58 53.742 -10.052 25.064 1.00 1.00 C ATOM 882 O GLY A 58 52.695 -10.114 24.419 1.00 1.00 O ATOM 0 H GLY A 58 53.815 -7.981 26.475 1.00 1.00 H new ATOM 0 HA2 GLY A 58 54.478 -10.767 26.957 1.00 1.00 H new ATOM 0 HA3 GLY A 58 52.756 -10.442 26.938 1.00 1.00 H new ATOM 886 N HIS A 59 54.939 -9.962 24.496 1.00 1.00 N ATOM 887 CA HIS A 59 55.083 -9.932 23.044 1.00 1.00 C ATOM 888 C HIS A 59 54.222 -11.012 22.397 1.00 1.00 C ATOM 889 O HIS A 59 53.777 -10.866 21.258 1.00 1.00 O ATOM 890 CB HIS A 59 56.549 -10.149 22.662 1.00 1.00 C ATOM 891 CG HIS A 59 57.056 -8.945 21.916 1.00 1.00 C ATOM 892 ND1 HIS A 59 57.370 -8.989 20.567 1.00 1.00 N ATOM 893 CD2 HIS A 59 57.309 -7.656 22.317 1.00 1.00 C ATOM 894 CE1 HIS A 59 57.790 -7.762 20.207 1.00 1.00 C ATOM 895 NE2 HIS A 59 57.772 -6.912 21.236 1.00 1.00 N ATOM 0 H HIS A 59 55.817 -9.909 25.012 1.00 1.00 H new ATOM 0 HA HIS A 59 54.753 -8.957 22.684 1.00 1.00 H new ATOM 0 HB2 HIS A 59 57.149 -10.315 23.557 1.00 1.00 H new ATOM 0 HB3 HIS A 59 56.647 -11.041 22.043 1.00 1.00 H new ATOM 0 HD2 HIS A 59 57.170 -7.277 23.319 1.00 1.00 H new ATOM 0 HE1 HIS A 59 58.103 -7.498 19.208 1.00 1.00 H new ATOM 0 HE2 HIS A 59 58.040 -5.928 21.231 1.00 1.00 H new ATOM 903 N HIS A 60 53.992 -12.096 23.130 1.00 1.00 N ATOM 904 CA HIS A 60 53.182 -13.196 22.619 1.00 1.00 C ATOM 905 C HIS A 60 51.700 -12.836 22.663 1.00 1.00 C ATOM 906 O HIS A 60 51.269 -11.860 22.049 1.00 1.00 O ATOM 907 CB HIS A 60 53.429 -14.457 23.447 1.00 1.00 C ATOM 908 CG HIS A 60 54.857 -14.896 23.279 1.00 1.00 C ATOM 909 ND1 HIS A 60 55.304 -16.137 23.706 1.00 1.00 N ATOM 910 CD2 HIS A 60 55.951 -14.271 22.732 1.00 1.00 C ATOM 911 CE1 HIS A 60 56.615 -16.220 23.411 1.00 1.00 C ATOM 912 NE2 HIS A 60 57.060 -15.109 22.817 1.00 1.00 N ATOM 0 H HIS A 60 54.352 -12.236 24.074 1.00 1.00 H new ATOM 0 HA HIS A 60 53.468 -13.382 21.584 1.00 1.00 H new ATOM 0 HB2 HIS A 60 53.219 -14.261 24.499 1.00 1.00 H new ATOM 0 HB3 HIS A 60 52.754 -15.251 23.130 1.00 1.00 H new ATOM 0 HD2 HIS A 60 55.951 -13.280 22.302 1.00 1.00 H new ATOM 0 HE1 HIS A 60 57.232 -17.080 23.628 1.00 1.00 H new ATOM 0 HE2 HIS A 60 58.008 -14.916 22.495 1.00 1.00 H new ATOM 920 N HIS A 61 50.926 -13.631 23.395 1.00 1.00 N ATOM 921 CA HIS A 61 49.493 -13.387 23.514 1.00 1.00 C ATOM 922 C HIS A 61 48.846 -14.426 24.424 1.00 1.00 C ATOM 923 O HIS A 61 47.908 -15.117 24.025 1.00 1.00 O ATOM 924 CB HIS A 61 48.839 -13.438 22.131 1.00 1.00 C ATOM 925 CG HIS A 61 49.416 -14.583 21.346 1.00 1.00 C ATOM 926 ND1 HIS A 61 49.935 -14.418 20.071 1.00 1.00 N ATOM 927 CD2 HIS A 61 49.563 -15.916 21.640 1.00 1.00 C ATOM 928 CE1 HIS A 61 50.367 -15.620 19.650 1.00 1.00 C ATOM 929 NE2 HIS A 61 50.164 -16.569 20.568 1.00 1.00 N ATOM 0 H HIS A 61 51.264 -14.444 23.911 1.00 1.00 H new ATOM 0 HA HIS A 61 49.346 -12.399 23.949 1.00 1.00 H new ATOM 0 HB2 HIS A 61 47.760 -13.559 22.231 1.00 1.00 H new ATOM 0 HB3 HIS A 61 49.007 -12.500 21.603 1.00 1.00 H new ATOM 0 HD1 HIS A 61 49.981 -13.544 19.547 1.00 1.00 H new ATOM 0 HD2 HIS A 61 49.258 -16.386 22.563 1.00 1.00 H new ATOM 0 HE1 HIS A 61 50.823 -15.797 18.687 1.00 1.00 H new ATOM 937 N HIS A 62 49.353 -14.531 25.648 1.00 1.00 N ATOM 938 CA HIS A 62 48.816 -15.490 26.606 1.00 1.00 C ATOM 939 C HIS A 62 48.573 -16.839 25.937 1.00 1.00 C ATOM 940 O HIS A 62 47.518 -17.067 25.344 1.00 1.00 O ATOM 941 CB HIS A 62 47.504 -14.965 27.191 1.00 1.00 C ATOM 942 CG HIS A 62 47.230 -15.647 28.504 1.00 1.00 C ATOM 943 ND1 HIS A 62 46.556 -16.855 28.581 1.00 1.00 N ATOM 944 CD2 HIS A 62 47.533 -15.303 29.797 1.00 1.00 C ATOM 945 CE1 HIS A 62 46.476 -17.193 29.881 1.00 1.00 C ATOM 946 NE2 HIS A 62 47.056 -16.280 30.666 1.00 1.00 N ATOM 0 H HIS A 62 50.129 -13.969 25.998 1.00 1.00 H new ATOM 0 HA HIS A 62 49.544 -15.621 27.406 1.00 1.00 H new ATOM 0 HB2 HIS A 62 47.564 -13.886 27.335 1.00 1.00 H new ATOM 0 HB3 HIS A 62 46.685 -15.149 26.496 1.00 1.00 H new ATOM 0 HD2 HIS A 62 48.061 -14.410 30.095 1.00 1.00 H new ATOM 0 HE1 HIS A 62 46.001 -18.092 30.245 1.00 1.00 H new ATOM 0 HE2 HIS A 62 47.133 -16.296 31.683 1.00 1.00 H new ATOM 954 N HIS A 63 49.555 -17.729 26.035 1.00 1.00 N ATOM 955 CA HIS A 63 49.441 -19.051 25.438 1.00 1.00 C ATOM 956 C HIS A 63 49.907 -20.118 26.418 1.00 1.00 C ATOM 957 O HIS A 63 49.749 -19.979 27.630 1.00 1.00 O ATOM 958 CB HIS A 63 50.287 -19.121 24.164 1.00 1.00 C ATOM 959 CG HIS A 63 49.675 -20.111 23.212 1.00 1.00 C ATOM 960 ND1 HIS A 63 48.923 -21.240 23.420 1.00 1.00 N flip ATOM 961 CD2 HIS A 63 49.809 -19.993 21.837 1.00 1.00 C flip ATOM 962 CE1 HIS A 63 48.595 -21.816 22.196 1.00 1.00 C flip ATOM 963 NE2 HIS A 63 49.152 -21.026 21.275 1.00 1.00 N flip ATOM 0 H HIS A 63 50.435 -17.558 26.521 1.00 1.00 H new ATOM 0 HA HIS A 63 48.395 -19.232 25.190 1.00 1.00 H new ATOM 0 HB2 HIS A 63 50.343 -18.138 23.697 1.00 1.00 H new ATOM 0 HB3 HIS A 63 51.307 -19.417 24.408 1.00 1.00 H new ATOM 0 HD2 HIS A 63 50.343 -19.215 21.312 1.00 1.00 H new ATOM 0 HE1 HIS A 63 48.014 -22.711 22.027 1.00 1.00 H new ATOM 0 HE2 HIS A 63 49.088 -21.185 20.270 1.00 1.00 H new ATOM 971 N HIS A 64 50.479 -21.177 25.875 1.00 1.00 N ATOM 972 CA HIS A 64 50.974 -22.277 26.696 1.00 1.00 C ATOM 973 C HIS A 64 52.106 -21.804 27.601 1.00 1.00 C ATOM 974 O HIS A 64 52.454 -22.536 28.512 1.00 1.00 O ATOM 975 CB HIS A 64 51.473 -23.413 25.801 1.00 1.00 C ATOM 976 CG HIS A 64 50.865 -24.712 26.251 1.00 1.00 C ATOM 977 ND1 HIS A 64 51.005 -25.183 27.547 1.00 1.00 N ATOM 978 CD2 HIS A 64 50.111 -25.650 25.591 1.00 1.00 C ATOM 979 CE1 HIS A 64 50.351 -26.357 27.625 1.00 1.00 C ATOM 980 NE2 HIS A 64 49.788 -26.687 26.459 1.00 1.00 N ATOM 981 OXT HIS A 64 52.606 -20.715 27.371 1.00 1.00 O ATOM 0 H HIS A 64 50.614 -21.303 24.872 1.00 1.00 H new ATOM 0 HA HIS A 64 50.155 -22.638 27.318 1.00 1.00 H new ATOM 0 HB2 HIS A 64 51.207 -23.215 24.763 1.00 1.00 H new ATOM 0 HB3 HIS A 64 52.560 -23.474 25.845 1.00 1.00 H new ATOM 0 HD2 HIS A 64 49.814 -25.591 24.554 1.00 1.00 H new ATOM 0 HE1 HIS A 64 50.289 -26.958 28.520 1.00 1.00 H new ATOM 0 HE2 HIS A 64 49.239 -27.521 26.250 1.00 1.00 H new TER 989 HIS A 64