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 63 HIS :FLIP no HD1:sc= -3.07! C(o=-6.2!,f=-4.6!) USER MOD Set 1.2: A 64 HIS : no HD1:sc= -1.55 K(o=-4.6,f=-13!) USER MOD Set 2.1: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 57 LYS NZ :NH3+ -128:sc= -0.0713 (180deg=-1.53!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.067 (180deg=-0.23) USER MOD Single : A 9 ASN :FLIP amide:sc= -1.62 F(o=-2.6!,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 :FLIP amide:sc= -0.491 F(o=-1.9!,f=-0.49) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 17 SER OG : rot -68:sc= 0.807 USER MOD Single : A 19 CYS SG : rot -65:sc= -1.74! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -54:sc= 0.0571! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -150:sc= -0.655! USER MOD Single : A 27 SER OG : rot 172:sc= -0.302 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.89 X(o=-1.9,f=-2.2!) USER MOD Single : A 52 THR OG1 : rot -40:sc= 0.00714 USER MOD Single : A 59 HIS :FLIP no HD1:sc= -3.04! C(o=-4.6!,f=-3!) USER MOD Single : A 60 HIS : no HE2:sc= -4.02! C(o=-4!,f=-5.5!) USER MOD Single : A 61 HIS : no HD1:sc= -4.16! C(o=-4.2!,f=-4.6!) USER MOD Single : A 62 HIS : no HD1:sc= -0.473 X(o=-0.47,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 88.310 -11.977 -43.462 1.00 1.00 N ATOM 2 CA MET A 1 87.390 -13.120 -43.203 1.00 1.00 C ATOM 3 C MET A 1 86.746 -13.559 -44.515 1.00 1.00 C ATOM 4 O MET A 1 86.944 -12.930 -45.555 1.00 1.00 O ATOM 5 CB MET A 1 86.309 -12.686 -42.211 1.00 1.00 C ATOM 6 CG MET A 1 86.965 -12.215 -40.913 1.00 1.00 C ATOM 7 SD MET A 1 85.785 -12.365 -39.550 1.00 1.00 S ATOM 8 CE MET A 1 86.299 -14.004 -38.984 1.00 1.00 C ATOM 0 H1 MET A 1 89.185 -12.105 -42.915 1.00 1.00 H new ATOM 0 H2 MET A 1 88.538 -11.937 -44.476 1.00 1.00 H new ATOM 0 H3 MET A 1 87.850 -11.089 -43.175 1.00 1.00 H new ATOM 0 HA MET A 1 87.949 -13.955 -42.781 1.00 1.00 H new ATOM 0 HB2 MET A 1 85.709 -11.883 -42.639 1.00 1.00 H new ATOM 0 HB3 MET A 1 85.632 -13.516 -42.008 1.00 1.00 H new ATOM 0 HG2 MET A 1 87.854 -12.811 -40.705 1.00 1.00 H new ATOM 0 HG3 MET A 1 87.291 -11.180 -41.013 1.00 1.00 H new ATOM 0 HE1 MET A 1 85.690 -14.302 -38.131 1.00 1.00 H new ATOM 0 HE2 MET A 1 86.170 -14.725 -39.791 1.00 1.00 H new ATOM 0 HE3 MET A 1 87.348 -13.975 -38.689 1.00 1.00 H new ATOM 20 N GLU A 2 85.978 -14.642 -44.458 1.00 1.00 N ATOM 21 CA GLU A 2 85.312 -15.156 -45.648 1.00 1.00 C ATOM 22 C GLU A 2 83.901 -15.630 -45.311 1.00 1.00 C ATOM 23 O GLU A 2 82.983 -15.507 -46.121 1.00 1.00 O ATOM 24 CB GLU A 2 86.115 -16.317 -46.237 1.00 1.00 C ATOM 25 CG GLU A 2 87.485 -15.813 -46.691 1.00 1.00 C ATOM 26 CD GLU A 2 88.238 -16.926 -47.412 1.00 1.00 C ATOM 27 OE1 GLU A 2 88.754 -17.799 -46.736 1.00 1.00 O ATOM 28 OE2 GLU A 2 88.288 -16.887 -48.631 1.00 1.00 O ATOM 0 H GLU A 2 85.802 -15.177 -43.607 1.00 1.00 H new ATOM 0 HA GLU A 2 85.248 -14.351 -46.380 1.00 1.00 H new ATOM 0 HB2 GLU A 2 86.234 -17.105 -45.493 1.00 1.00 H new ATOM 0 HB3 GLU A 2 85.579 -16.753 -47.080 1.00 1.00 H new ATOM 0 HG2 GLU A 2 87.365 -14.956 -47.353 1.00 1.00 H new ATOM 0 HG3 GLU A 2 88.060 -15.472 -45.830 1.00 1.00 H new ATOM 35 N GLU A 3 83.737 -16.172 -44.108 1.00 1.00 N ATOM 36 CA GLU A 3 82.434 -16.661 -43.673 1.00 1.00 C ATOM 37 C GLU A 3 82.433 -16.918 -42.169 1.00 1.00 C ATOM 38 O GLU A 3 83.157 -17.783 -41.677 1.00 1.00 O ATOM 39 CB GLU A 3 82.087 -17.954 -44.414 1.00 1.00 C ATOM 40 CG GLU A 3 80.637 -17.893 -44.895 1.00 1.00 C ATOM 41 CD GLU A 3 80.228 -19.238 -45.487 1.00 1.00 C ATOM 42 OE1 GLU A 3 80.842 -20.231 -45.132 1.00 1.00 O ATOM 43 OE2 GLU A 3 79.307 -19.256 -46.287 1.00 1.00 O ATOM 0 H GLU A 3 84.484 -16.283 -43.422 1.00 1.00 H new ATOM 0 HA GLU A 3 81.687 -15.901 -43.901 1.00 1.00 H new ATOM 0 HB2 GLU A 3 82.757 -18.090 -45.263 1.00 1.00 H new ATOM 0 HB3 GLU A 3 82.227 -18.812 -43.756 1.00 1.00 H new ATOM 0 HG2 GLU A 3 79.980 -17.637 -44.064 1.00 1.00 H new ATOM 0 HG3 GLU A 3 80.526 -17.108 -45.643 1.00 1.00 H new ATOM 50 N GLY A 4 81.616 -16.161 -41.445 1.00 1.00 N ATOM 51 CA GLY A 4 81.528 -16.315 -39.997 1.00 1.00 C ATOM 52 C GLY A 4 80.477 -15.379 -39.412 1.00 1.00 C ATOM 53 O GLY A 4 79.328 -15.366 -39.855 1.00 1.00 O ATOM 0 H GLY A 4 81.009 -15.439 -41.833 1.00 1.00 H new ATOM 0 HA2 GLY A 4 81.278 -17.347 -39.752 1.00 1.00 H new ATOM 0 HA3 GLY A 4 82.498 -16.106 -39.546 1.00 1.00 H new ATOM 57 N GLY A 5 80.877 -14.598 -38.414 1.00 1.00 N ATOM 58 CA GLY A 5 79.959 -13.662 -37.775 1.00 1.00 C ATOM 59 C GLY A 5 78.778 -14.397 -37.152 1.00 1.00 C ATOM 60 O GLY A 5 77.725 -14.539 -37.773 1.00 1.00 O ATOM 0 H GLY A 5 81.823 -14.594 -38.032 1.00 1.00 H new ATOM 0 HA2 GLY A 5 80.486 -13.096 -37.007 1.00 1.00 H new ATOM 0 HA3 GLY A 5 79.598 -12.942 -38.509 1.00 1.00 H new ATOM 64 N ASP A 6 78.961 -14.863 -35.921 1.00 1.00 N ATOM 65 CA ASP A 6 77.902 -15.583 -35.222 1.00 1.00 C ATOM 66 C ASP A 6 78.219 -15.691 -33.734 1.00 1.00 C ATOM 67 O ASP A 6 77.895 -16.690 -33.091 1.00 1.00 O ATOM 68 CB ASP A 6 77.743 -16.984 -35.815 1.00 1.00 C ATOM 69 CG ASP A 6 76.323 -17.489 -35.588 1.00 1.00 C ATOM 70 OD1 ASP A 6 76.019 -17.859 -34.466 1.00 1.00 O ATOM 71 OD2 ASP A 6 75.559 -17.498 -36.540 1.00 1.00 O ATOM 0 H ASP A 6 79.825 -14.756 -35.390 1.00 1.00 H new ATOM 0 HA ASP A 6 76.971 -15.030 -35.344 1.00 1.00 H new ATOM 0 HB2 ASP A 6 77.964 -16.963 -36.882 1.00 1.00 H new ATOM 0 HB3 ASP A 6 78.458 -17.666 -35.355 1.00 1.00 H new ATOM 76 N PHE A 7 78.853 -14.656 -33.192 1.00 1.00 N ATOM 77 CA PHE A 7 79.210 -14.646 -31.778 1.00 1.00 C ATOM 78 C PHE A 7 79.319 -13.215 -31.263 1.00 1.00 C ATOM 79 O PHE A 7 80.359 -12.809 -30.743 1.00 1.00 O ATOM 80 CB PHE A 7 80.542 -15.369 -31.570 1.00 1.00 C ATOM 81 CG PHE A 7 80.389 -16.825 -31.939 1.00 1.00 C ATOM 82 CD1 PHE A 7 79.741 -17.705 -31.063 1.00 1.00 C ATOM 83 CD2 PHE A 7 80.894 -17.295 -33.157 1.00 1.00 C ATOM 84 CE1 PHE A 7 79.598 -19.054 -31.406 1.00 1.00 C ATOM 85 CE2 PHE A 7 80.752 -18.645 -33.500 1.00 1.00 C ATOM 86 CZ PHE A 7 80.104 -19.524 -32.624 1.00 1.00 C ATOM 0 H PHE A 7 79.128 -13.819 -33.706 1.00 1.00 H new ATOM 0 HA PHE A 7 78.427 -15.161 -31.221 1.00 1.00 H new ATOM 0 HB2 PHE A 7 81.317 -14.908 -32.182 1.00 1.00 H new ATOM 0 HB3 PHE A 7 80.859 -15.278 -30.531 1.00 1.00 H new ATOM 0 HD1 PHE A 7 79.352 -17.342 -30.123 1.00 1.00 H new ATOM 0 HD2 PHE A 7 81.393 -16.616 -33.832 1.00 1.00 H new ATOM 0 HE1 PHE A 7 79.097 -19.733 -30.731 1.00 1.00 H new ATOM 0 HE2 PHE A 7 81.142 -19.008 -34.439 1.00 1.00 H new ATOM 0 HZ PHE A 7 79.994 -20.565 -32.888 1.00 1.00 H new ATOM 96 N ASP A 8 78.240 -12.453 -31.412 1.00 1.00 N ATOM 97 CA ASP A 8 78.227 -11.067 -30.959 1.00 1.00 C ATOM 98 C ASP A 8 76.800 -10.612 -30.671 1.00 1.00 C ATOM 99 O ASP A 8 76.347 -9.590 -31.189 1.00 1.00 O ATOM 100 CB ASP A 8 78.848 -10.162 -32.025 1.00 1.00 C ATOM 101 CG ASP A 8 79.108 -8.776 -31.445 1.00 1.00 C ATOM 102 OD1 ASP A 8 78.407 -8.402 -30.520 1.00 1.00 O ATOM 103 OD2 ASP A 8 80.005 -8.110 -31.936 1.00 1.00 O ATOM 0 H ASP A 8 77.370 -12.769 -31.840 1.00 1.00 H new ATOM 0 HA ASP A 8 78.811 -10.999 -30.041 1.00 1.00 H new ATOM 0 HB2 ASP A 8 79.781 -10.596 -32.384 1.00 1.00 H new ATOM 0 HB3 ASP A 8 78.181 -10.087 -32.884 1.00 1.00 H new ATOM 108 N ASN A 9 76.096 -11.375 -29.842 1.00 1.00 N ATOM 109 CA ASN A 9 74.721 -11.041 -29.492 1.00 1.00 C ATOM 110 C ASN A 9 74.476 -11.267 -28.004 1.00 1.00 C ATOM 111 O ASN A 9 74.179 -10.330 -27.263 1.00 1.00 O ATOM 112 CB ASN A 9 73.751 -11.898 -30.308 1.00 1.00 C ATOM 113 CG ASN A 9 74.149 -11.878 -31.779 1.00 1.00 C ATOM 114 OD1 ASN A 9 74.473 -10.747 -32.344 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 74.165 -12.921 -32.433 1.00 1.00 N flip ATOM 0 H ASN A 9 76.452 -12.224 -29.402 1.00 1.00 H new ATOM 0 HA ASN A 9 74.554 -9.988 -29.719 1.00 1.00 H new ATOM 0 HB2 ASN A 9 73.756 -12.922 -29.935 1.00 1.00 H new ATOM 0 HB3 ASN A 9 72.735 -11.522 -30.193 1.00 1.00 H new ATOM 0 HD21 ASN A 9 73.912 -13.804 -31.990 1.00 1.00 H new ATOM 0 HD22 ASN A 9 74.432 -12.902 -33.417 1.00 1.00 H new ATOM 122 N TYR A 10 74.603 -12.519 -27.573 1.00 1.00 N ATOM 123 CA TYR A 10 74.393 -12.857 -26.170 1.00 1.00 C ATOM 124 C TYR A 10 75.603 -12.452 -25.334 1.00 1.00 C ATOM 125 O TYR A 10 75.655 -12.714 -24.132 1.00 1.00 O ATOM 126 CB TYR A 10 74.151 -14.361 -26.027 1.00 1.00 C ATOM 127 CG TYR A 10 73.266 -14.839 -27.153 1.00 1.00 C ATOM 128 CD1 TYR A 10 71.874 -14.795 -27.015 1.00 1.00 C ATOM 129 CD2 TYR A 10 73.839 -15.325 -28.334 1.00 1.00 C ATOM 130 CE1 TYR A 10 71.053 -15.239 -28.059 1.00 1.00 C ATOM 131 CE2 TYR A 10 73.018 -15.768 -29.379 1.00 1.00 C ATOM 132 CZ TYR A 10 71.625 -15.725 -29.240 1.00 1.00 C ATOM 133 OH TYR A 10 70.815 -16.162 -30.270 1.00 1.00 O ATOM 0 H TYR A 10 74.848 -13.309 -28.169 1.00 1.00 H new ATOM 0 HA TYR A 10 73.520 -12.313 -25.811 1.00 1.00 H new ATOM 0 HB2 TYR A 10 75.101 -14.896 -26.045 1.00 1.00 H new ATOM 0 HB3 TYR A 10 73.682 -14.575 -25.066 1.00 1.00 H new ATOM 0 HD1 TYR A 10 71.433 -14.419 -26.104 1.00 1.00 H new ATOM 0 HD2 TYR A 10 74.913 -15.358 -28.439 1.00 1.00 H new ATOM 0 HE1 TYR A 10 69.979 -15.206 -27.953 1.00 1.00 H new ATOM 0 HE2 TYR A 10 73.459 -16.142 -30.291 1.00 1.00 H new ATOM 0 HH TYR A 10 71.371 -16.466 -31.017 1.00 1.00 H new ATOM 143 N TYR A 11 76.573 -11.812 -25.978 1.00 1.00 N ATOM 144 CA TYR A 11 77.778 -11.375 -25.283 1.00 1.00 C ATOM 145 C TYR A 11 77.495 -10.128 -24.451 1.00 1.00 C ATOM 146 O TYR A 11 77.990 -9.042 -24.754 1.00 1.00 O ATOM 147 CB TYR A 11 78.885 -11.074 -26.296 1.00 1.00 C ATOM 148 CG TYR A 11 79.574 -12.359 -26.685 1.00 1.00 C ATOM 149 CD1 TYR A 11 78.938 -13.261 -27.548 1.00 1.00 C ATOM 150 CD2 TYR A 11 80.849 -12.651 -26.185 1.00 1.00 C ATOM 151 CE1 TYR A 11 79.577 -14.453 -27.909 1.00 1.00 C ATOM 152 CE2 TYR A 11 81.487 -13.842 -26.547 1.00 1.00 C ATOM 153 CZ TYR A 11 80.852 -14.744 -27.408 1.00 1.00 C ATOM 154 OH TYR A 11 81.481 -15.919 -27.766 1.00 1.00 O ATOM 0 H TYR A 11 76.549 -11.586 -26.972 1.00 1.00 H new ATOM 0 HA TYR A 11 78.102 -12.176 -24.618 1.00 1.00 H new ATOM 0 HB2 TYR A 11 78.464 -10.593 -27.179 1.00 1.00 H new ATOM 0 HB3 TYR A 11 79.606 -10.378 -25.867 1.00 1.00 H new ATOM 0 HD1 TYR A 11 77.955 -13.037 -27.935 1.00 1.00 H new ATOM 0 HD2 TYR A 11 81.340 -11.956 -25.520 1.00 1.00 H new ATOM 0 HE1 TYR A 11 79.087 -15.148 -28.574 1.00 1.00 H new ATOM 0 HE2 TYR A 11 82.471 -14.066 -26.162 1.00 1.00 H new ATOM 0 HH TYR A 11 82.359 -15.965 -27.332 1.00 1.00 H new ATOM 164 N GLY A 12 76.696 -10.291 -23.402 1.00 1.00 N ATOM 165 CA GLY A 12 76.353 -9.172 -22.532 1.00 1.00 C ATOM 166 C GLY A 12 75.606 -9.653 -21.293 1.00 1.00 C ATOM 167 O GLY A 12 76.194 -9.800 -20.221 1.00 1.00 O ATOM 0 H GLY A 12 76.276 -11.181 -23.135 1.00 1.00 H new ATOM 0 HA2 GLY A 12 77.261 -8.647 -22.233 1.00 1.00 H new ATOM 0 HA3 GLY A 12 75.737 -8.458 -23.078 1.00 1.00 H new ATOM 171 N ALA A 13 74.309 -9.897 -21.448 1.00 1.00 N ATOM 172 CA ALA A 13 73.492 -10.361 -20.333 1.00 1.00 C ATOM 173 C ALA A 13 72.180 -10.952 -20.841 1.00 1.00 C ATOM 174 O ALA A 13 71.117 -10.352 -20.687 1.00 1.00 O ATOM 175 CB ALA A 13 73.196 -9.200 -19.383 1.00 1.00 C ATOM 0 H ALA A 13 73.804 -9.782 -22.327 1.00 1.00 H new ATOM 0 HA ALA A 13 74.044 -11.134 -19.799 1.00 1.00 H new ATOM 0 HB1 ALA A 13 72.585 -9.556 -18.553 1.00 1.00 H new ATOM 0 HB2 ALA A 13 74.133 -8.797 -18.998 1.00 1.00 H new ATOM 0 HB3 ALA A 13 72.659 -8.418 -19.920 1.00 1.00 H new ATOM 181 N ASP A 14 72.265 -12.132 -21.446 1.00 1.00 N ATOM 182 CA ASP A 14 71.077 -12.796 -21.973 1.00 1.00 C ATOM 183 C ASP A 14 70.409 -13.637 -20.890 1.00 1.00 C ATOM 184 O ASP A 14 69.186 -13.628 -20.750 1.00 1.00 O ATOM 185 CB ASP A 14 71.459 -13.691 -23.153 1.00 1.00 C ATOM 186 CG ASP A 14 72.146 -14.955 -22.649 1.00 1.00 C ATOM 187 OD1 ASP A 14 73.351 -14.918 -22.464 1.00 1.00 O ATOM 188 OD2 ASP A 14 71.456 -15.942 -22.452 1.00 1.00 O ATOM 0 H ASP A 14 73.136 -12.645 -21.583 1.00 1.00 H new ATOM 0 HA ASP A 14 70.376 -12.032 -22.309 1.00 1.00 H new ATOM 0 HB2 ASP A 14 70.568 -13.954 -23.723 1.00 1.00 H new ATOM 0 HB3 ASP A 14 72.122 -13.152 -23.829 1.00 1.00 H new ATOM 193 N ASN A 15 71.220 -14.364 -20.128 1.00 1.00 N ATOM 194 CA ASN A 15 70.695 -15.208 -19.060 1.00 1.00 C ATOM 195 C ASN A 15 71.832 -15.899 -18.315 1.00 1.00 C ATOM 196 O ASN A 15 72.346 -16.924 -18.761 1.00 1.00 O ATOM 197 CB ASN A 15 69.750 -16.260 -19.643 1.00 1.00 C ATOM 198 CG ASN A 15 68.318 -15.978 -19.200 1.00 1.00 C ATOM 199 OD1 ASN A 15 67.538 -16.972 -18.875 1.00 1.00 O flip ATOM 200 ND2 ASN A 15 67.899 -14.822 -19.149 1.00 1.00 N flip ATOM 0 H ASN A 15 72.235 -14.386 -20.228 1.00 1.00 H new ATOM 0 HA ASN A 15 70.148 -14.577 -18.359 1.00 1.00 H new ATOM 0 HB2 ASN A 15 69.811 -16.252 -20.731 1.00 1.00 H new ATOM 0 HB3 ASN A 15 70.052 -17.254 -19.314 1.00 1.00 H new ATOM 0 HD21 ASN A 15 68.510 -14.046 -19.403 1.00 1.00 H new ATOM 0 HD22 ASN A 15 66.940 -14.640 -18.852 1.00 1.00 H new ATOM 207 N GLN A 16 72.220 -15.330 -17.178 1.00 1.00 N ATOM 208 CA GLN A 16 73.298 -15.901 -16.379 1.00 1.00 C ATOM 209 C GLN A 16 72.738 -16.843 -15.319 1.00 1.00 C ATOM 210 O GLN A 16 73.397 -17.128 -14.318 1.00 1.00 O ATOM 211 CB GLN A 16 74.097 -14.785 -15.704 1.00 1.00 C ATOM 212 CG GLN A 16 73.163 -13.948 -14.827 1.00 1.00 C ATOM 213 CD GLN A 16 73.372 -12.465 -15.110 1.00 1.00 C ATOM 214 OE1 GLN A 16 74.499 -11.973 -15.048 1.00 1.00 O ATOM 215 NE2 GLN A 16 72.348 -11.718 -15.421 1.00 1.00 N ATOM 0 H GLN A 16 71.808 -14.481 -16.792 1.00 1.00 H new ATOM 0 HA GLN A 16 73.954 -16.467 -17.040 1.00 1.00 H new ATOM 0 HB2 GLN A 16 74.897 -15.211 -15.099 1.00 1.00 H new ATOM 0 HB3 GLN A 16 74.569 -14.154 -16.457 1.00 1.00 H new ATOM 0 HG2 GLN A 16 72.126 -14.221 -15.022 1.00 1.00 H new ATOM 0 HG3 GLN A 16 73.355 -14.156 -13.775 1.00 1.00 H new ATOM 0 HE21 GLN A 16 71.415 -12.127 -15.472 1.00 1.00 H new ATOM 0 HE22 GLN A 16 72.481 -10.725 -15.613 1.00 1.00 H new ATOM 224 N SER A 17 71.517 -17.321 -15.544 1.00 1.00 N ATOM 225 CA SER A 17 70.874 -18.229 -14.601 1.00 1.00 C ATOM 226 C SER A 17 70.291 -17.452 -13.427 1.00 1.00 C ATOM 227 O SER A 17 70.138 -17.987 -12.328 1.00 1.00 O ATOM 228 CB SER A 17 71.885 -19.255 -14.088 1.00 1.00 C ATOM 229 OG SER A 17 72.471 -18.775 -12.885 1.00 1.00 O ATOM 0 H SER A 17 70.957 -17.096 -16.366 1.00 1.00 H new ATOM 0 HA SER A 17 70.066 -18.747 -15.117 1.00 1.00 H new ATOM 0 HB2 SER A 17 71.392 -20.211 -13.910 1.00 1.00 H new ATOM 0 HB3 SER A 17 72.657 -19.429 -14.838 1.00 1.00 H new ATOM 0 HG SER A 17 73.027 -17.992 -13.082 1.00 1.00 H new ATOM 235 N GLU A 18 69.970 -16.185 -13.667 1.00 1.00 N ATOM 236 CA GLU A 18 69.405 -15.338 -12.625 1.00 1.00 C ATOM 237 C GLU A 18 67.982 -15.776 -12.290 1.00 1.00 C ATOM 238 O GLU A 18 67.299 -16.383 -13.117 1.00 1.00 O ATOM 239 CB GLU A 18 69.396 -13.881 -13.088 1.00 1.00 C ATOM 240 CG GLU A 18 70.158 -13.018 -12.080 1.00 1.00 C ATOM 241 CD GLU A 18 70.043 -11.547 -12.461 1.00 1.00 C ATOM 242 OE1 GLU A 18 69.615 -11.274 -13.570 1.00 1.00 O ATOM 243 OE2 GLU A 18 70.385 -10.714 -11.638 1.00 1.00 O ATOM 0 H GLU A 18 70.091 -15.725 -14.569 1.00 1.00 H new ATOM 0 HA GLU A 18 70.021 -15.433 -11.731 1.00 1.00 H new ATOM 0 HB2 GLU A 18 69.855 -13.799 -14.073 1.00 1.00 H new ATOM 0 HB3 GLU A 18 68.370 -13.526 -13.184 1.00 1.00 H new ATOM 0 HG2 GLU A 18 69.758 -13.175 -11.078 1.00 1.00 H new ATOM 0 HG3 GLU A 18 71.207 -13.315 -12.054 1.00 1.00 H new ATOM 250 N CYS A 19 67.541 -15.465 -11.076 1.00 1.00 N ATOM 251 CA CYS A 19 66.198 -15.832 -10.645 1.00 1.00 C ATOM 252 C CYS A 19 66.086 -17.343 -10.471 1.00 1.00 C ATOM 253 O CYS A 19 65.082 -17.847 -9.966 1.00 1.00 O ATOM 254 CB CYS A 19 65.172 -15.357 -11.675 1.00 1.00 C ATOM 255 SG CYS A 19 64.601 -16.769 -12.653 1.00 1.00 S ATOM 0 H CYS A 19 68.090 -14.963 -10.378 1.00 1.00 H new ATOM 0 HA CYS A 19 65.999 -15.352 -9.687 1.00 1.00 H new ATOM 0 HB2 CYS A 19 64.328 -14.884 -11.172 1.00 1.00 H new ATOM 0 HB3 CYS A 19 65.617 -14.605 -12.327 1.00 1.00 H new ATOM 0 HG CYS A 19 65.591 -17.242 -13.350 1.00 1.00 H new ATOM 261 N GLU A 20 67.121 -18.061 -10.893 1.00 1.00 N ATOM 262 CA GLU A 20 67.128 -19.515 -10.779 1.00 1.00 C ATOM 263 C GLU A 20 67.555 -19.941 -9.378 1.00 1.00 C ATOM 264 O GLU A 20 68.564 -20.626 -9.208 1.00 1.00 O ATOM 265 CB GLU A 20 68.085 -20.114 -11.810 1.00 1.00 C ATOM 266 CG GLU A 20 67.719 -21.579 -12.057 1.00 1.00 C ATOM 267 CD GLU A 20 68.902 -22.315 -12.680 1.00 1.00 C ATOM 268 OE1 GLU A 20 70.011 -22.108 -12.219 1.00 1.00 O ATOM 269 OE2 GLU A 20 68.679 -23.072 -13.610 1.00 1.00 O ATOM 0 H GLU A 20 67.961 -17.664 -11.314 1.00 1.00 H new ATOM 0 HA GLU A 20 66.118 -19.880 -10.965 1.00 1.00 H new ATOM 0 HB2 GLU A 20 68.030 -19.552 -12.742 1.00 1.00 H new ATOM 0 HB3 GLU A 20 69.113 -20.040 -11.454 1.00 1.00 H new ATOM 0 HG2 GLU A 20 67.438 -22.055 -11.118 1.00 1.00 H new ATOM 0 HG3 GLU A 20 66.854 -21.640 -12.717 1.00 1.00 H new ATOM 276 N TYR A 21 66.781 -19.532 -8.378 1.00 1.00 N ATOM 277 CA TYR A 21 67.089 -19.878 -6.996 1.00 1.00 C ATOM 278 C TYR A 21 65.818 -20.254 -6.241 1.00 1.00 C ATOM 279 O TYR A 21 65.641 -21.403 -5.837 1.00 1.00 O ATOM 280 CB TYR A 21 67.767 -18.695 -6.300 1.00 1.00 C ATOM 281 CG TYR A 21 69.001 -18.296 -7.073 1.00 1.00 C ATOM 282 CD1 TYR A 21 70.209 -18.969 -6.858 1.00 1.00 C ATOM 283 CD2 TYR A 21 68.936 -17.253 -8.005 1.00 1.00 C ATOM 284 CE1 TYR A 21 71.354 -18.599 -7.575 1.00 1.00 C ATOM 285 CE2 TYR A 21 70.080 -16.883 -8.720 1.00 1.00 C ATOM 286 CZ TYR A 21 71.290 -17.555 -8.505 1.00 1.00 C ATOM 287 OH TYR A 21 72.417 -17.190 -9.212 1.00 1.00 O ATOM 0 H TYR A 21 65.942 -18.965 -8.498 1.00 1.00 H new ATOM 0 HA TYR A 21 67.764 -20.734 -6.998 1.00 1.00 H new ATOM 0 HB2 TYR A 21 67.077 -17.853 -6.235 1.00 1.00 H new ATOM 0 HB3 TYR A 21 68.036 -18.966 -5.279 1.00 1.00 H new ATOM 0 HD1 TYR A 21 70.258 -19.774 -6.139 1.00 1.00 H new ATOM 0 HD2 TYR A 21 68.003 -16.735 -8.172 1.00 1.00 H new ATOM 0 HE1 TYR A 21 72.286 -19.119 -7.410 1.00 1.00 H new ATOM 0 HE2 TYR A 21 70.030 -16.078 -9.439 1.00 1.00 H new ATOM 0 HH TYR A 21 72.199 -16.450 -9.816 1.00 1.00 H new ATOM 297 N THR A 22 64.935 -19.278 -6.056 1.00 1.00 N ATOM 298 CA THR A 22 63.682 -19.518 -5.348 1.00 1.00 C ATOM 299 C THR A 22 62.701 -18.377 -5.593 1.00 1.00 C ATOM 300 O THR A 22 61.917 -18.020 -4.713 1.00 1.00 O ATOM 301 CB THR A 22 63.949 -19.652 -3.847 1.00 1.00 C ATOM 302 OG1 THR A 22 65.186 -20.319 -3.645 1.00 1.00 O ATOM 303 CG2 THR A 22 62.822 -20.456 -3.197 1.00 1.00 C ATOM 0 H THR A 22 65.062 -18.320 -6.384 1.00 1.00 H new ATOM 0 HA THR A 22 63.245 -20.443 -5.723 1.00 1.00 H new ATOM 0 HB THR A 22 63.993 -18.661 -3.396 1.00 1.00 H new ATOM 0 HG1 THR A 22 65.179 -21.174 -4.125 1.00 1.00 H new ATOM 0 HG21 THR A 22 63.013 -20.551 -2.128 1.00 1.00 H new ATOM 0 HG22 THR A 22 61.873 -19.943 -3.352 1.00 1.00 H new ATOM 0 HG23 THR A 22 62.776 -21.448 -3.647 1.00 1.00 H new ATOM 311 N ASP A 23 62.750 -17.809 -6.794 1.00 1.00 N ATOM 312 CA ASP A 23 61.859 -16.708 -7.143 1.00 1.00 C ATOM 313 C ASP A 23 61.355 -16.860 -8.575 1.00 1.00 C ATOM 314 O ASP A 23 60.779 -15.932 -9.143 1.00 1.00 O ATOM 315 CB ASP A 23 62.595 -15.375 -6.999 1.00 1.00 C ATOM 316 CG ASP A 23 63.900 -15.410 -7.786 1.00 1.00 C ATOM 317 OD1 ASP A 23 63.959 -16.137 -8.765 1.00 1.00 O ATOM 318 OD2 ASP A 23 64.822 -14.711 -7.399 1.00 1.00 O ATOM 0 H ASP A 23 63.391 -18.090 -7.536 1.00 1.00 H new ATOM 0 HA ASP A 23 61.006 -16.727 -6.465 1.00 1.00 H new ATOM 0 HB2 ASP A 23 61.965 -14.562 -7.360 1.00 1.00 H new ATOM 0 HB3 ASP A 23 62.801 -15.176 -5.947 1.00 1.00 H new ATOM 323 N TRP A 24 61.576 -18.037 -9.152 1.00 1.00 N ATOM 324 CA TRP A 24 61.138 -18.300 -10.518 1.00 1.00 C ATOM 325 C TRP A 24 59.851 -19.118 -10.521 1.00 1.00 C ATOM 326 O TRP A 24 59.368 -19.529 -11.576 1.00 1.00 O ATOM 327 CB TRP A 24 62.228 -19.057 -11.279 1.00 1.00 C ATOM 328 CG TRP A 24 62.386 -20.425 -10.695 1.00 1.00 C ATOM 329 CD1 TRP A 24 62.957 -20.698 -9.499 1.00 1.00 C ATOM 330 CD2 TRP A 24 61.978 -21.706 -11.256 1.00 1.00 C ATOM 331 NE1 TRP A 24 62.926 -22.064 -9.291 1.00 1.00 N ATOM 332 CE2 TRP A 24 62.332 -22.730 -10.345 1.00 1.00 C ATOM 333 CE3 TRP A 24 61.340 -22.076 -12.454 1.00 1.00 C ATOM 334 CZ2 TRP A 24 62.064 -24.072 -10.614 1.00 1.00 C ATOM 335 CZ3 TRP A 24 61.070 -23.427 -12.727 1.00 1.00 C ATOM 336 CH2 TRP A 24 61.430 -24.422 -11.810 1.00 1.00 C ATOM 0 H TRP A 24 62.052 -18.818 -8.700 1.00 1.00 H new ATOM 0 HA TRP A 24 60.949 -17.345 -11.009 1.00 1.00 H new ATOM 0 HB2 TRP A 24 61.966 -19.129 -12.335 1.00 1.00 H new ATOM 0 HB3 TRP A 24 63.171 -18.514 -11.221 1.00 1.00 H new ATOM 0 HD1 TRP A 24 63.369 -19.968 -8.818 1.00 1.00 H new ATOM 0 HE1 TRP A 24 63.297 -22.524 -8.460 1.00 1.00 H new ATOM 0 HE3 TRP A 24 61.056 -21.317 -13.168 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 62.344 -24.836 -9.903 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 60.581 -23.700 -13.651 1.00 1.00 H new ATOM 0 HH2 TRP A 24 61.218 -25.459 -12.026 1.00 1.00 H new ATOM 347 N LYS A 25 59.301 -19.350 -9.334 1.00 1.00 N ATOM 348 CA LYS A 25 58.068 -20.120 -9.212 1.00 1.00 C ATOM 349 C LYS A 25 57.270 -19.665 -7.995 1.00 1.00 C ATOM 350 O LYS A 25 56.363 -20.362 -7.539 1.00 1.00 O ATOM 351 CB LYS A 25 58.389 -21.613 -9.087 1.00 1.00 C ATOM 352 CG LYS A 25 59.690 -21.802 -8.302 1.00 1.00 C ATOM 353 CD LYS A 25 59.571 -21.122 -6.936 1.00 1.00 C ATOM 354 CE LYS A 25 60.670 -21.642 -6.008 1.00 1.00 C ATOM 355 NZ LYS A 25 60.157 -22.805 -5.234 1.00 1.00 N ATOM 0 H LYS A 25 59.685 -19.019 -8.449 1.00 1.00 H new ATOM 0 HA LYS A 25 57.470 -19.953 -10.108 1.00 1.00 H new ATOM 0 HB2 LYS A 25 57.572 -22.129 -8.583 1.00 1.00 H new ATOM 0 HB3 LYS A 25 58.484 -22.058 -10.078 1.00 1.00 H new ATOM 0 HG2 LYS A 25 59.898 -22.864 -8.173 1.00 1.00 H new ATOM 0 HG3 LYS A 25 60.526 -21.379 -8.858 1.00 1.00 H new ATOM 0 HD2 LYS A 25 59.656 -20.041 -7.048 1.00 1.00 H new ATOM 0 HD3 LYS A 25 58.591 -21.321 -6.503 1.00 1.00 H new ATOM 0 HE2 LYS A 25 61.543 -21.936 -6.590 1.00 1.00 H new ATOM 0 HE3 LYS A 25 60.991 -20.852 -5.329 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 60.904 -23.159 -4.603 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 59.336 -22.510 -4.668 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 59.872 -23.560 -5.890 1.00 1.00 H new ATOM 369 N SER A 26 57.613 -18.492 -7.473 1.00 1.00 N ATOM 370 CA SER A 26 56.921 -17.953 -6.308 1.00 1.00 C ATOM 371 C SER A 26 57.054 -16.434 -6.260 1.00 1.00 C ATOM 372 O SER A 26 56.458 -15.723 -7.069 1.00 1.00 O ATOM 373 CB SER A 26 57.501 -18.558 -5.030 1.00 1.00 C ATOM 374 OG SER A 26 57.066 -17.798 -3.910 1.00 1.00 O ATOM 0 H SER A 26 58.361 -17.900 -7.835 1.00 1.00 H new ATOM 0 HA SER A 26 55.865 -18.211 -6.385 1.00 1.00 H new ATOM 0 HB2 SER A 26 57.181 -19.595 -4.927 1.00 1.00 H new ATOM 0 HB3 SER A 26 58.590 -18.564 -5.079 1.00 1.00 H new ATOM 0 HG SER A 26 57.744 -17.839 -3.204 1.00 1.00 H new ATOM 380 N SER A 27 57.841 -15.944 -5.307 1.00 1.00 N ATOM 381 CA SER A 27 58.045 -14.507 -5.163 1.00 1.00 C ATOM 382 C SER A 27 56.713 -13.767 -5.227 1.00 1.00 C ATOM 383 O SER A 27 56.673 -12.559 -5.460 1.00 1.00 O ATOM 384 CB SER A 27 58.967 -13.997 -6.271 1.00 1.00 C ATOM 385 OG SER A 27 59.386 -15.093 -7.074 1.00 1.00 O ATOM 0 H SER A 27 58.344 -16.515 -4.628 1.00 1.00 H new ATOM 0 HA SER A 27 58.505 -14.320 -4.193 1.00 1.00 H new ATOM 0 HB2 SER A 27 58.446 -13.261 -6.883 1.00 1.00 H new ATOM 0 HB3 SER A 27 59.833 -13.496 -5.838 1.00 1.00 H new ATOM 0 HG SER A 27 59.873 -14.758 -7.856 1.00 1.00 H new ATOM 391 N GLY A 28 55.624 -14.500 -5.018 1.00 1.00 N ATOM 392 CA GLY A 28 54.295 -13.902 -5.053 1.00 1.00 C ATOM 393 C GLY A 28 53.250 -14.864 -4.499 1.00 1.00 C ATOM 394 O GLY A 28 52.153 -14.988 -5.045 1.00 1.00 O ATOM 0 H GLY A 28 55.635 -15.501 -4.824 1.00 1.00 H new ATOM 0 HA2 GLY A 28 54.291 -12.980 -4.471 1.00 1.00 H new ATOM 0 HA3 GLY A 28 54.040 -13.633 -6.078 1.00 1.00 H new ATOM 398 N ALA A 29 53.596 -15.542 -3.410 1.00 1.00 N ATOM 399 CA ALA A 29 52.679 -16.492 -2.790 1.00 1.00 C ATOM 400 C ALA A 29 52.806 -16.444 -1.271 1.00 1.00 C ATOM 401 O ALA A 29 52.091 -17.150 -0.557 1.00 1.00 O ATOM 402 CB ALA A 29 52.978 -17.908 -3.285 1.00 1.00 C ATOM 0 H ALA A 29 54.497 -15.453 -2.941 1.00 1.00 H new ATOM 0 HA ALA A 29 51.661 -16.219 -3.068 1.00 1.00 H new ATOM 0 HB1 ALA A 29 52.288 -18.610 -2.817 1.00 1.00 H new ATOM 0 HB2 ALA A 29 52.857 -17.948 -4.368 1.00 1.00 H new ATOM 0 HB3 ALA A 29 54.002 -18.176 -3.024 1.00 1.00 H new ATOM 408 N LEU A 30 53.721 -15.609 -0.785 1.00 1.00 N ATOM 409 CA LEU A 30 53.940 -15.471 0.652 1.00 1.00 C ATOM 410 C LEU A 30 53.863 -14.005 1.067 1.00 1.00 C ATOM 411 O LEU A 30 53.469 -13.689 2.189 1.00 1.00 O ATOM 412 CB LEU A 30 55.312 -16.036 1.026 1.00 1.00 C ATOM 413 CG LEU A 30 55.526 -17.375 0.319 1.00 1.00 C ATOM 414 CD1 LEU A 30 56.313 -17.150 -0.974 1.00 1.00 C ATOM 415 CD2 LEU A 30 56.312 -18.315 1.236 1.00 1.00 C ATOM 0 H LEU A 30 54.321 -15.020 -1.363 1.00 1.00 H new ATOM 0 HA LEU A 30 53.162 -16.027 1.175 1.00 1.00 H new ATOM 0 HB2 LEU A 30 56.095 -15.334 0.741 1.00 1.00 H new ATOM 0 HB3 LEU A 30 55.380 -16.169 2.106 1.00 1.00 H new ATOM 0 HG LEU A 30 54.559 -17.820 0.083 1.00 1.00 H new ATOM 0 HD11 LEU A 30 56.466 -18.104 -1.478 1.00 1.00 H new ATOM 0 HD12 LEU A 30 55.755 -16.480 -1.628 1.00 1.00 H new ATOM 0 HD13 LEU A 30 57.280 -16.705 -0.739 1.00 1.00 H new ATOM 0 HD21 LEU A 30 56.465 -19.270 0.733 1.00 1.00 H new ATOM 0 HD22 LEU A 30 57.279 -17.870 1.471 1.00 1.00 H new ATOM 0 HD23 LEU A 30 55.753 -18.476 2.158 1.00 1.00 H new ATOM 427 N ILE A 31 54.240 -13.117 0.154 1.00 1.00 N ATOM 428 CA ILE A 31 54.209 -11.687 0.436 1.00 1.00 C ATOM 429 C ILE A 31 52.776 -11.136 0.403 1.00 1.00 C ATOM 430 O ILE A 31 52.449 -10.230 1.167 1.00 1.00 O ATOM 431 CB ILE A 31 55.092 -10.933 -0.568 1.00 1.00 C ATOM 432 CG1 ILE A 31 56.532 -10.912 -0.052 1.00 1.00 C ATOM 433 CG2 ILE A 31 54.596 -9.492 -0.730 1.00 1.00 C ATOM 434 CD1 ILE A 31 57.004 -12.344 0.206 1.00 1.00 C ATOM 0 H ILE A 31 54.568 -13.359 -0.781 1.00 1.00 H new ATOM 0 HA ILE A 31 54.599 -11.535 1.443 1.00 1.00 H new ATOM 0 HB ILE A 31 55.046 -11.437 -1.533 1.00 1.00 H new ATOM 0 HG12 ILE A 31 57.183 -10.429 -0.780 1.00 1.00 H new ATOM 0 HG13 ILE A 31 56.592 -10.327 0.866 1.00 1.00 H new ATOM 0 HG21 ILE A 31 55.230 -8.967 -1.445 1.00 1.00 H new ATOM 0 HG22 ILE A 31 53.569 -9.500 -1.094 1.00 1.00 H new ATOM 0 HG23 ILE A 31 54.636 -8.983 0.233 1.00 1.00 H new ATOM 0 HD11 ILE A 31 58.030 -12.328 0.574 1.00 1.00 H new ATOM 0 HD12 ILE A 31 56.359 -12.811 0.950 1.00 1.00 H new ATOM 0 HD13 ILE A 31 56.960 -12.914 -0.722 1.00 1.00 H new ATOM 446 N PRO A 32 51.918 -11.648 -0.454 1.00 1.00 N ATOM 447 CA PRO A 32 50.515 -11.170 -0.553 1.00 1.00 C ATOM 448 C PRO A 32 49.586 -11.907 0.409 1.00 1.00 C ATOM 449 O PRO A 32 48.386 -12.019 0.162 1.00 1.00 O ATOM 450 CB PRO A 32 50.153 -11.472 -2.004 1.00 1.00 C ATOM 451 CG PRO A 32 50.978 -12.662 -2.386 1.00 1.00 C ATOM 452 CD PRO A 32 52.171 -12.728 -1.422 1.00 1.00 C ATOM 0 HA PRO A 32 50.411 -10.118 -0.286 1.00 1.00 H new ATOM 0 HB2 PRO A 32 49.089 -11.684 -2.106 1.00 1.00 H new ATOM 0 HB3 PRO A 32 50.372 -10.620 -2.648 1.00 1.00 H new ATOM 0 HG2 PRO A 32 50.385 -13.575 -2.325 1.00 1.00 H new ATOM 0 HG3 PRO A 32 51.323 -12.574 -3.416 1.00 1.00 H new ATOM 0 HD2 PRO A 32 52.230 -13.698 -0.929 1.00 1.00 H new ATOM 0 HD3 PRO A 32 53.115 -12.579 -1.947 1.00 1.00 H new ATOM 460 N ALA A 33 50.154 -12.408 1.503 1.00 1.00 N ATOM 461 CA ALA A 33 49.373 -13.135 2.498 1.00 1.00 C ATOM 462 C ALA A 33 49.673 -12.619 3.901 1.00 1.00 C ATOM 463 O ALA A 33 49.085 -13.078 4.880 1.00 1.00 O ATOM 464 CB ALA A 33 49.696 -14.628 2.423 1.00 1.00 C ATOM 0 H ALA A 33 51.147 -12.324 1.722 1.00 1.00 H new ATOM 0 HA ALA A 33 48.315 -12.979 2.286 1.00 1.00 H new ATOM 0 HB1 ALA A 33 49.110 -15.165 3.169 1.00 1.00 H new ATOM 0 HB2 ALA A 33 49.451 -15.004 1.429 1.00 1.00 H new ATOM 0 HB3 ALA A 33 50.758 -14.781 2.618 1.00 1.00 H new ATOM 470 N ILE A 34 50.593 -11.664 3.990 1.00 1.00 N ATOM 471 CA ILE A 34 50.968 -11.090 5.278 1.00 1.00 C ATOM 472 C ILE A 34 50.997 -9.567 5.198 1.00 1.00 C ATOM 473 O ILE A 34 50.688 -8.879 6.170 1.00 1.00 O ATOM 474 CB ILE A 34 52.344 -11.606 5.700 1.00 1.00 C ATOM 475 CG1 ILE A 34 52.918 -12.487 4.588 1.00 1.00 C ATOM 476 CG2 ILE A 34 52.211 -12.426 6.986 1.00 1.00 C ATOM 477 CD1 ILE A 34 54.324 -12.948 4.975 1.00 1.00 C ATOM 0 H ILE A 34 51.091 -11.273 3.190 1.00 1.00 H new ATOM 0 HA ILE A 34 50.225 -11.390 6.017 1.00 1.00 H new ATOM 0 HB ILE A 34 53.011 -10.762 5.877 1.00 1.00 H new ATOM 0 HG12 ILE A 34 52.273 -13.350 4.424 1.00 1.00 H new ATOM 0 HG13 ILE A 34 52.951 -11.932 3.651 1.00 1.00 H new ATOM 0 HG21 ILE A 34 53.192 -12.794 7.286 1.00 1.00 H new ATOM 0 HG22 ILE A 34 51.801 -11.798 7.777 1.00 1.00 H new ATOM 0 HG23 ILE A 34 51.545 -13.271 6.811 1.00 1.00 H new ATOM 0 HD11 ILE A 34 54.732 -13.575 4.183 1.00 1.00 H new ATOM 0 HD12 ILE A 34 54.966 -12.079 5.116 1.00 1.00 H new ATOM 0 HD13 ILE A 34 54.277 -13.519 5.902 1.00 1.00 H new ATOM 489 N TYR A 35 51.371 -9.050 4.033 1.00 1.00 N ATOM 490 CA TYR A 35 51.437 -7.606 3.835 1.00 1.00 C ATOM 491 C TYR A 35 50.151 -7.095 3.194 1.00 1.00 C ATOM 492 O TYR A 35 50.149 -6.062 2.525 1.00 1.00 O ATOM 493 CB TYR A 35 52.630 -7.257 2.945 1.00 1.00 C ATOM 494 CG TYR A 35 53.898 -7.301 3.763 1.00 1.00 C ATOM 495 CD1 TYR A 35 54.450 -8.534 4.133 1.00 1.00 C ATOM 496 CD2 TYR A 35 54.523 -6.110 4.152 1.00 1.00 C ATOM 497 CE1 TYR A 35 55.625 -8.576 4.893 1.00 1.00 C ATOM 498 CE2 TYR A 35 55.698 -6.152 4.913 1.00 1.00 C ATOM 499 CZ TYR A 35 56.249 -7.385 5.282 1.00 1.00 C ATOM 500 OH TYR A 35 57.407 -7.425 6.032 1.00 1.00 O ATOM 0 H TYR A 35 51.631 -9.604 3.217 1.00 1.00 H new ATOM 0 HA TYR A 35 51.558 -7.128 4.807 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.696 -7.960 2.115 1.00 1.00 H new ATOM 0 HB3 TYR A 35 52.497 -6.265 2.513 1.00 1.00 H new ATOM 0 HD1 TYR A 35 53.969 -9.453 3.832 1.00 1.00 H new ATOM 0 HD2 TYR A 35 54.099 -5.159 3.865 1.00 1.00 H new ATOM 0 HE1 TYR A 35 56.050 -9.527 5.179 1.00 1.00 H new ATOM 0 HE2 TYR A 35 56.179 -5.233 5.215 1.00 1.00 H new ATOM 0 HH TYR A 35 57.710 -6.511 6.215 1.00 1.00 H new ATOM 510 N MET A 36 49.060 -7.826 3.405 1.00 1.00 N ATOM 511 CA MET A 36 47.769 -7.443 2.845 1.00 1.00 C ATOM 512 C MET A 36 46.687 -7.485 3.919 1.00 1.00 C ATOM 513 O MET A 36 45.630 -6.871 3.772 1.00 1.00 O ATOM 514 CB MET A 36 47.393 -8.389 1.703 1.00 1.00 C ATOM 515 CG MET A 36 48.501 -8.382 0.649 1.00 1.00 C ATOM 516 SD MET A 36 48.506 -6.791 -0.212 1.00 1.00 S ATOM 517 CE MET A 36 50.242 -6.815 -0.724 1.00 1.00 C ATOM 0 H MET A 36 49.044 -8.683 3.957 1.00 1.00 H new ATOM 0 HA MET A 36 47.847 -6.425 2.462 1.00 1.00 H new ATOM 0 HB2 MET A 36 47.247 -9.399 2.086 1.00 1.00 H new ATOM 0 HB3 MET A 36 46.449 -8.079 1.255 1.00 1.00 H new ATOM 0 HG2 MET A 36 49.468 -8.555 1.122 1.00 1.00 H new ATOM 0 HG3 MET A 36 48.345 -9.192 -0.063 1.00 1.00 H new ATOM 0 HE1 MET A 36 50.469 -5.907 -1.283 1.00 1.00 H new ATOM 0 HE2 MET A 36 50.881 -6.867 0.158 1.00 1.00 H new ATOM 0 HE3 MET A 36 50.423 -7.685 -1.355 1.00 1.00 H new ATOM 527 N LEU A 37 46.961 -8.215 4.998 1.00 1.00 N ATOM 528 CA LEU A 37 46.009 -8.337 6.097 1.00 1.00 C ATOM 529 C LEU A 37 46.663 -7.934 7.415 1.00 1.00 C ATOM 530 O LEU A 37 46.184 -8.290 8.492 1.00 1.00 O ATOM 531 CB LEU A 37 45.506 -9.778 6.196 1.00 1.00 C ATOM 532 CG LEU A 37 45.171 -10.300 4.797 1.00 1.00 C ATOM 533 CD1 LEU A 37 46.342 -11.128 4.266 1.00 1.00 C ATOM 534 CD2 LEU A 37 43.918 -11.175 4.868 1.00 1.00 C ATOM 0 H LEU A 37 47.832 -8.729 5.134 1.00 1.00 H new ATOM 0 HA LEU A 37 45.168 -7.672 5.901 1.00 1.00 H new ATOM 0 HB2 LEU A 37 46.265 -10.408 6.659 1.00 1.00 H new ATOM 0 HB3 LEU A 37 44.623 -9.823 6.833 1.00 1.00 H new ATOM 0 HG LEU A 37 44.990 -9.458 4.128 1.00 1.00 H new ATOM 0 HD11 LEU A 37 46.103 -11.499 3.270 1.00 1.00 H new ATOM 0 HD12 LEU A 37 47.235 -10.505 4.216 1.00 1.00 H new ATOM 0 HD13 LEU A 37 46.524 -11.970 4.933 1.00 1.00 H new ATOM 0 HD21 LEU A 37 43.678 -11.548 3.872 1.00 1.00 H new ATOM 0 HD22 LEU A 37 44.099 -12.017 5.537 1.00 1.00 H new ATOM 0 HD23 LEU A 37 43.083 -10.585 5.246 1.00 1.00 H new ATOM 546 N VAL A 38 47.760 -7.190 7.321 1.00 1.00 N ATOM 547 CA VAL A 38 48.475 -6.744 8.510 1.00 1.00 C ATOM 548 C VAL A 38 49.076 -5.360 8.285 1.00 1.00 C ATOM 549 O VAL A 38 49.001 -4.491 9.153 1.00 1.00 O ATOM 550 CB VAL A 38 49.588 -7.734 8.854 1.00 1.00 C ATOM 551 CG1 VAL A 38 50.007 -7.548 10.313 1.00 1.00 C ATOM 552 CG2 VAL A 38 49.080 -9.164 8.650 1.00 1.00 C ATOM 0 H VAL A 38 48.171 -6.885 6.439 1.00 1.00 H new ATOM 0 HA VAL A 38 47.767 -6.692 9.337 1.00 1.00 H new ATOM 0 HB VAL A 38 50.445 -7.554 8.204 1.00 1.00 H new ATOM 0 HG11 VAL A 38 50.800 -8.255 10.557 1.00 1.00 H new ATOM 0 HG12 VAL A 38 50.369 -6.531 10.461 1.00 1.00 H new ATOM 0 HG13 VAL A 38 49.150 -7.726 10.963 1.00 1.00 H new ATOM 0 HG21 VAL A 38 49.873 -9.870 8.895 1.00 1.00 H new ATOM 0 HG22 VAL A 38 48.223 -9.342 9.299 1.00 1.00 H new ATOM 0 HG23 VAL A 38 48.782 -9.299 7.610 1.00 1.00 H new ATOM 562 N PHE A 39 49.672 -5.165 7.113 1.00 1.00 N ATOM 563 CA PHE A 39 50.284 -3.884 6.782 1.00 1.00 C ATOM 564 C PHE A 39 49.277 -2.750 6.939 1.00 1.00 C ATOM 565 O PHE A 39 49.649 -1.577 6.973 1.00 1.00 O ATOM 566 CB PHE A 39 50.806 -3.913 5.344 1.00 1.00 C ATOM 567 CG PHE A 39 51.702 -2.720 5.109 1.00 1.00 C ATOM 568 CD1 PHE A 39 53.073 -2.812 5.376 1.00 1.00 C ATOM 569 CD2 PHE A 39 51.162 -1.523 4.624 1.00 1.00 C ATOM 570 CE1 PHE A 39 53.904 -1.706 5.157 1.00 1.00 C ATOM 571 CE2 PHE A 39 51.992 -0.418 4.406 1.00 1.00 C ATOM 572 CZ PHE A 39 53.363 -0.510 4.673 1.00 1.00 C ATOM 0 H PHE A 39 49.744 -5.872 6.382 1.00 1.00 H new ATOM 0 HA PHE A 39 51.114 -3.711 7.467 1.00 1.00 H new ATOM 0 HB2 PHE A 39 51.357 -4.836 5.165 1.00 1.00 H new ATOM 0 HB3 PHE A 39 49.972 -3.898 4.643 1.00 1.00 H new ATOM 0 HD1 PHE A 39 53.490 -3.735 5.751 1.00 1.00 H new ATOM 0 HD2 PHE A 39 50.104 -1.452 4.418 1.00 1.00 H new ATOM 0 HE1 PHE A 39 54.962 -1.776 5.362 1.00 1.00 H new ATOM 0 HE2 PHE A 39 51.575 0.505 4.032 1.00 1.00 H new ATOM 0 HZ PHE A 39 54.004 0.343 4.505 1.00 1.00 H new ATOM 582 N LEU A 40 48.000 -3.106 7.032 1.00 1.00 N ATOM 583 CA LEU A 40 46.949 -2.108 7.184 1.00 1.00 C ATOM 584 C LEU A 40 45.884 -2.595 8.161 1.00 1.00 C ATOM 585 O LEU A 40 44.769 -2.075 8.189 1.00 1.00 O ATOM 586 CB LEU A 40 46.304 -1.806 5.827 1.00 1.00 C ATOM 587 CG LEU A 40 46.245 -3.082 4.981 1.00 1.00 C ATOM 588 CD1 LEU A 40 45.472 -4.166 5.735 1.00 1.00 C ATOM 589 CD2 LEU A 40 45.536 -2.779 3.660 1.00 1.00 C ATOM 0 H LEU A 40 47.670 -4.071 7.005 1.00 1.00 H new ATOM 0 HA LEU A 40 47.398 -1.197 7.578 1.00 1.00 H new ATOM 0 HB2 LEU A 40 45.299 -1.409 5.973 1.00 1.00 H new ATOM 0 HB3 LEU A 40 46.877 -1.040 5.305 1.00 1.00 H new ATOM 0 HG LEU A 40 47.258 -3.433 4.784 1.00 1.00 H new ATOM 0 HD11 LEU A 40 45.432 -5.072 5.130 1.00 1.00 H new ATOM 0 HD12 LEU A 40 45.974 -4.381 6.678 1.00 1.00 H new ATOM 0 HD13 LEU A 40 44.458 -3.818 5.934 1.00 1.00 H new ATOM 0 HD21 LEU A 40 45.492 -3.684 3.055 1.00 1.00 H new ATOM 0 HD22 LEU A 40 44.524 -2.428 3.862 1.00 1.00 H new ATOM 0 HD23 LEU A 40 46.086 -2.008 3.120 1.00 1.00 H new ATOM 601 N LEU A 41 46.236 -3.596 8.961 1.00 1.00 N ATOM 602 CA LEU A 41 45.302 -4.146 9.937 1.00 1.00 C ATOM 603 C LEU A 41 46.018 -4.422 11.256 1.00 1.00 C ATOM 604 O LEU A 41 45.484 -4.150 12.332 1.00 1.00 O ATOM 605 CB LEU A 41 44.686 -5.443 9.392 1.00 1.00 C ATOM 606 CG LEU A 41 43.747 -6.071 10.430 1.00 1.00 C ATOM 607 CD1 LEU A 41 42.658 -5.071 10.824 1.00 1.00 C ATOM 608 CD2 LEU A 41 43.090 -7.314 9.826 1.00 1.00 C ATOM 0 H LEU A 41 47.154 -4.040 8.954 1.00 1.00 H new ATOM 0 HA LEU A 41 44.509 -3.420 10.116 1.00 1.00 H new ATOM 0 HB2 LEU A 41 44.135 -5.233 8.475 1.00 1.00 H new ATOM 0 HB3 LEU A 41 45.477 -6.148 9.135 1.00 1.00 H new ATOM 0 HG LEU A 41 44.322 -6.343 11.315 1.00 1.00 H new ATOM 0 HD11 LEU A 41 41.996 -5.526 11.561 1.00 1.00 H new ATOM 0 HD12 LEU A 41 43.119 -4.180 11.251 1.00 1.00 H new ATOM 0 HD13 LEU A 41 42.082 -4.794 9.941 1.00 1.00 H new ATOM 0 HD21 LEU A 41 42.421 -7.765 10.559 1.00 1.00 H new ATOM 0 HD22 LEU A 41 42.520 -7.031 8.941 1.00 1.00 H new ATOM 0 HD23 LEU A 41 43.860 -8.033 9.547 1.00 1.00 H new ATOM 620 N GLY A 42 47.228 -4.963 11.164 1.00 1.00 N ATOM 621 CA GLY A 42 48.010 -5.273 12.356 1.00 1.00 C ATOM 622 C GLY A 42 49.133 -4.261 12.549 1.00 1.00 C ATOM 623 O GLY A 42 50.254 -4.622 12.906 1.00 1.00 O ATOM 0 H GLY A 42 47.686 -5.195 10.283 1.00 1.00 H new ATOM 0 HA2 GLY A 42 47.361 -5.273 13.232 1.00 1.00 H new ATOM 0 HA3 GLY A 42 48.429 -6.275 12.270 1.00 1.00 H new ATOM 627 N THR A 43 48.825 -2.991 12.308 1.00 1.00 N ATOM 628 CA THR A 43 49.818 -1.932 12.459 1.00 1.00 C ATOM 629 C THR A 43 49.160 -0.560 12.353 1.00 1.00 C ATOM 630 O THR A 43 49.608 0.403 12.973 1.00 1.00 O ATOM 631 CB THR A 43 50.895 -2.069 11.380 1.00 1.00 C ATOM 632 OG1 THR A 43 51.955 -1.165 11.655 1.00 1.00 O ATOM 633 CG2 THR A 43 50.292 -1.750 10.011 1.00 1.00 C ATOM 0 H THR A 43 47.904 -2.671 12.010 1.00 1.00 H new ATOM 0 HA THR A 43 50.276 -2.027 13.444 1.00 1.00 H new ATOM 0 HB THR A 43 51.279 -3.089 11.376 1.00 1.00 H new ATOM 0 HG1 THR A 43 52.646 -1.252 10.966 1.00 1.00 H new ATOM 0 HG21 THR A 43 51.060 -1.848 9.244 1.00 1.00 H new ATOM 0 HG22 THR A 43 49.478 -2.444 9.801 1.00 1.00 H new ATOM 0 HG23 THR A 43 49.907 -0.730 10.012 1.00 1.00 H new ATOM 641 N THR A 44 48.094 -0.480 11.563 1.00 1.00 N ATOM 642 CA THR A 44 47.381 0.779 11.383 1.00 1.00 C ATOM 643 C THR A 44 47.223 1.501 12.718 1.00 1.00 C ATOM 644 O THR A 44 47.027 2.715 12.759 1.00 1.00 O ATOM 645 CB THR A 44 46.002 0.518 10.776 1.00 1.00 C ATOM 646 OG1 THR A 44 45.091 1.511 11.228 1.00 1.00 O ATOM 647 CG2 THR A 44 45.507 -0.864 11.203 1.00 1.00 C ATOM 0 H THR A 44 47.707 -1.266 11.041 1.00 1.00 H new ATOM 0 HA THR A 44 47.961 1.409 10.708 1.00 1.00 H new ATOM 0 HB THR A 44 46.071 0.556 9.689 1.00 1.00 H new ATOM 0 HG1 THR A 44 44.207 1.346 10.838 1.00 1.00 H new ATOM 0 HG21 THR A 44 44.524 -1.048 10.770 1.00 1.00 H new ATOM 0 HG22 THR A 44 46.206 -1.624 10.854 1.00 1.00 H new ATOM 0 HG23 THR A 44 45.438 -0.906 12.290 1.00 1.00 H new ATOM 655 N GLY A 45 47.310 0.745 13.807 1.00 1.00 N ATOM 656 CA GLY A 45 47.174 1.324 15.139 1.00 1.00 C ATOM 657 C GLY A 45 46.319 0.434 16.035 1.00 1.00 C ATOM 658 O GLY A 45 45.588 0.924 16.896 1.00 1.00 O ATOM 0 H GLY A 45 47.473 -0.262 13.795 1.00 1.00 H new ATOM 0 HA2 GLY A 45 48.160 1.456 15.585 1.00 1.00 H new ATOM 0 HA3 GLY A 45 46.723 2.313 15.065 1.00 1.00 H new ATOM 662 N ASN A 46 46.415 -0.875 15.825 1.00 1.00 N ATOM 663 CA ASN A 46 45.644 -1.824 16.621 1.00 1.00 C ATOM 664 C ASN A 46 46.506 -3.023 17.006 1.00 1.00 C ATOM 665 O ASN A 46 45.989 -4.097 17.313 1.00 1.00 O ATOM 666 CB ASN A 46 44.427 -2.301 15.827 1.00 1.00 C ATOM 667 CG ASN A 46 43.779 -1.124 15.107 1.00 1.00 C ATOM 668 OD1 ASN A 46 43.622 -0.051 15.690 1.00 1.00 O ATOM 669 ND2 ASN A 46 43.395 -1.260 13.868 1.00 1.00 N ATOM 0 H ASN A 46 47.013 -1.300 15.117 1.00 1.00 H new ATOM 0 HA ASN A 46 45.311 -1.324 17.530 1.00 1.00 H new ATOM 0 HB2 ASN A 46 44.729 -3.059 15.104 1.00 1.00 H new ATOM 0 HB3 ASN A 46 43.706 -2.769 16.497 1.00 1.00 H new ATOM 0 HD21 ASN A 46 42.963 -0.476 13.379 1.00 1.00 H new ATOM 0 HD22 ASN A 46 43.527 -2.150 13.388 1.00 1.00 H new ATOM 676 N GLY A 47 47.821 -2.830 16.986 1.00 1.00 N ATOM 677 CA GLY A 47 48.745 -3.902 17.335 1.00 1.00 C ATOM 678 C GLY A 47 49.873 -3.381 18.221 1.00 1.00 C ATOM 679 O GLY A 47 50.787 -4.124 18.580 1.00 1.00 O ATOM 0 H GLY A 47 48.268 -1.948 16.734 1.00 1.00 H new ATOM 0 HA2 GLY A 47 48.208 -4.697 17.853 1.00 1.00 H new ATOM 0 HA3 GLY A 47 49.162 -4.338 16.427 1.00 1.00 H new ATOM 683 N LEU A 48 49.801 -2.101 18.569 1.00 1.00 N ATOM 684 CA LEU A 48 50.821 -1.490 19.414 1.00 1.00 C ATOM 685 C LEU A 48 50.183 -0.538 20.421 1.00 1.00 C ATOM 686 O LEU A 48 50.872 0.267 21.049 1.00 1.00 O ATOM 687 CB LEU A 48 51.826 -0.726 18.551 1.00 1.00 C ATOM 688 CG LEU A 48 51.078 0.093 17.499 1.00 1.00 C ATOM 689 CD1 LEU A 48 51.695 1.490 17.405 1.00 1.00 C ATOM 690 CD2 LEU A 48 51.183 -0.603 16.141 1.00 1.00 C ATOM 0 H LEU A 48 49.053 -1.470 18.282 1.00 1.00 H new ATOM 0 HA LEU A 48 51.338 -2.281 19.957 1.00 1.00 H new ATOM 0 HB2 LEU A 48 52.432 -0.069 19.175 1.00 1.00 H new ATOM 0 HB3 LEU A 48 52.509 -1.424 18.066 1.00 1.00 H new ATOM 0 HG LEU A 48 50.029 0.178 17.784 1.00 1.00 H new ATOM 0 HD11 LEU A 48 51.161 2.074 16.655 1.00 1.00 H new ATOM 0 HD12 LEU A 48 51.620 1.987 18.372 1.00 1.00 H new ATOM 0 HD13 LEU A 48 52.744 1.406 17.121 1.00 1.00 H new ATOM 0 HD21 LEU A 48 50.650 -0.019 15.391 1.00 1.00 H new ATOM 0 HD22 LEU A 48 52.232 -0.689 15.856 1.00 1.00 H new ATOM 0 HD23 LEU A 48 50.743 -1.598 16.207 1.00 1.00 H new ATOM 702 N VAL A 49 48.865 -0.637 20.568 1.00 1.00 N ATOM 703 CA VAL A 49 48.139 0.219 21.501 1.00 1.00 C ATOM 704 C VAL A 49 47.188 -0.611 22.358 1.00 1.00 C ATOM 705 O VAL A 49 46.958 -0.298 23.526 1.00 1.00 O ATOM 706 CB VAL A 49 47.345 1.275 20.730 1.00 1.00 C ATOM 707 CG1 VAL A 49 46.608 2.180 21.718 1.00 1.00 C ATOM 708 CG2 VAL A 49 48.303 2.118 19.885 1.00 1.00 C ATOM 0 H VAL A 49 48.280 -1.298 20.056 1.00 1.00 H new ATOM 0 HA VAL A 49 48.861 0.712 22.152 1.00 1.00 H new ATOM 0 HB VAL A 49 46.623 0.782 20.079 1.00 1.00 H new ATOM 0 HG11 VAL A 49 46.042 2.933 21.169 1.00 1.00 H new ATOM 0 HG12 VAL A 49 45.926 1.581 22.321 1.00 1.00 H new ATOM 0 HG13 VAL A 49 47.330 2.672 22.369 1.00 1.00 H new ATOM 0 HG21 VAL A 49 47.737 2.871 19.336 1.00 1.00 H new ATOM 0 HG22 VAL A 49 49.025 2.611 20.536 1.00 1.00 H new ATOM 0 HG23 VAL A 49 48.830 1.474 19.181 1.00 1.00 H new ATOM 718 N LEU A 50 46.641 -1.669 21.769 1.00 1.00 N ATOM 719 CA LEU A 50 45.716 -2.538 22.490 1.00 1.00 C ATOM 720 C LEU A 50 46.446 -3.770 23.016 1.00 1.00 C ATOM 721 O LEU A 50 46.326 -4.120 24.190 1.00 1.00 O ATOM 722 CB LEU A 50 44.577 -2.970 21.560 1.00 1.00 C ATOM 723 CG LEU A 50 43.519 -3.754 22.348 1.00 1.00 C ATOM 724 CD1 LEU A 50 42.860 -2.851 23.396 1.00 1.00 C ATOM 725 CD2 LEU A 50 42.449 -4.268 21.382 1.00 1.00 C ATOM 0 H LEU A 50 46.819 -1.944 20.803 1.00 1.00 H new ATOM 0 HA LEU A 50 45.304 -1.986 23.335 1.00 1.00 H new ATOM 0 HB2 LEU A 50 44.122 -2.094 21.099 1.00 1.00 H new ATOM 0 HB3 LEU A 50 44.971 -3.587 20.752 1.00 1.00 H new ATOM 0 HG LEU A 50 44.001 -4.591 22.853 1.00 1.00 H new ATOM 0 HD11 LEU A 50 42.112 -3.420 23.948 1.00 1.00 H new ATOM 0 HD12 LEU A 50 43.618 -2.483 24.087 1.00 1.00 H new ATOM 0 HD13 LEU A 50 42.381 -2.007 22.900 1.00 1.00 H new ATOM 0 HD21 LEU A 50 41.695 -4.826 21.937 1.00 1.00 H new ATOM 0 HD22 LEU A 50 41.978 -3.424 20.878 1.00 1.00 H new ATOM 0 HD23 LEU A 50 42.911 -4.921 20.641 1.00 1.00 H new ATOM 737 N TRP A 51 47.205 -4.421 22.140 1.00 1.00 N ATOM 738 CA TRP A 51 47.951 -5.612 22.527 1.00 1.00 C ATOM 739 C TRP A 51 48.974 -5.274 23.607 1.00 1.00 C ATOM 740 O TRP A 51 49.539 -6.165 24.242 1.00 1.00 O ATOM 741 CB TRP A 51 48.667 -6.197 21.309 1.00 1.00 C ATOM 742 CG TRP A 51 50.124 -6.348 21.611 1.00 1.00 C ATOM 743 CD1 TRP A 51 51.035 -5.349 21.565 1.00 1.00 C ATOM 744 CD2 TRP A 51 50.852 -7.548 22.004 1.00 1.00 C ATOM 745 NE1 TRP A 51 52.275 -5.859 21.905 1.00 1.00 N ATOM 746 CE2 TRP A 51 52.213 -7.210 22.184 1.00 1.00 C ATOM 747 CE3 TRP A 51 50.465 -8.884 22.221 1.00 1.00 C ATOM 748 CZ2 TRP A 51 53.160 -8.163 22.564 1.00 1.00 C ATOM 749 CZ3 TRP A 51 51.415 -9.845 22.603 1.00 1.00 C ATOM 750 CH2 TRP A 51 52.759 -9.486 22.775 1.00 1.00 C ATOM 0 H TRP A 51 47.319 -4.146 21.164 1.00 1.00 H new ATOM 0 HA TRP A 51 47.249 -6.346 22.923 1.00 1.00 H new ATOM 0 HB2 TRP A 51 48.236 -7.164 21.051 1.00 1.00 H new ATOM 0 HB3 TRP A 51 48.529 -5.546 20.446 1.00 1.00 H new ATOM 0 HD1 TRP A 51 50.828 -4.321 21.305 1.00 1.00 H new ATOM 0 HE1 TRP A 51 53.130 -5.305 21.945 1.00 1.00 H new ATOM 0 HE3 TRP A 51 49.432 -9.171 22.093 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 54.194 -7.881 22.694 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 51.108 -10.868 22.765 1.00 1.00 H new ATOM 0 HH2 TRP A 51 53.484 -10.230 23.070 1.00 1.00 H new ATOM 761 N THR A 52 49.206 -3.982 23.811 1.00 1.00 N ATOM 762 CA THR A 52 50.163 -3.537 24.817 1.00 1.00 C ATOM 763 C THR A 52 49.451 -3.194 26.122 1.00 1.00 C ATOM 764 O THR A 52 50.081 -3.069 27.171 1.00 1.00 O ATOM 765 CB THR A 52 50.921 -2.308 24.310 1.00 1.00 C ATOM 766 OG1 THR A 52 52.141 -2.177 25.025 1.00 1.00 O ATOM 767 CG2 THR A 52 50.067 -1.057 24.520 1.00 1.00 C ATOM 0 H THR A 52 48.748 -3.229 23.297 1.00 1.00 H new ATOM 0 HA THR A 52 50.867 -4.348 25.003 1.00 1.00 H new ATOM 0 HB THR A 52 51.134 -2.425 23.247 1.00 1.00 H new ATOM 0 HG1 THR A 52 51.989 -2.382 25.971 1.00 1.00 H new ATOM 0 HG21 THR A 52 50.608 -0.182 24.159 1.00 1.00 H new ATOM 0 HG22 THR A 52 49.132 -1.158 23.970 1.00 1.00 H new ATOM 0 HG23 THR A 52 49.852 -0.937 25.582 1.00 1.00 H new ATOM 775 N VAL A 53 48.132 -3.043 26.048 1.00 1.00 N ATOM 776 CA VAL A 53 47.343 -2.714 27.229 1.00 1.00 C ATOM 777 C VAL A 53 47.240 -3.917 28.162 1.00 1.00 C ATOM 778 O VAL A 53 47.522 -3.812 29.355 1.00 1.00 O ATOM 779 CB VAL A 53 45.941 -2.267 26.813 1.00 1.00 C ATOM 780 CG1 VAL A 53 45.031 -2.230 28.042 1.00 1.00 C ATOM 781 CG2 VAL A 53 46.015 -0.871 26.192 1.00 1.00 C ATOM 0 H VAL A 53 47.591 -3.142 25.189 1.00 1.00 H new ATOM 0 HA VAL A 53 47.842 -1.902 27.758 1.00 1.00 H new ATOM 0 HB VAL A 53 45.538 -2.969 26.083 1.00 1.00 H new ATOM 0 HG11 VAL A 53 44.032 -1.911 27.745 1.00 1.00 H new ATOM 0 HG12 VAL A 53 44.978 -3.224 28.486 1.00 1.00 H new ATOM 0 HG13 VAL A 53 45.434 -1.528 28.772 1.00 1.00 H new ATOM 0 HG21 VAL A 53 45.016 -0.551 25.895 1.00 1.00 H new ATOM 0 HG22 VAL A 53 46.419 -0.169 26.922 1.00 1.00 H new ATOM 0 HG23 VAL A 53 46.663 -0.896 25.316 1.00 1.00 H new ATOM 791 N PHE A 54 46.833 -5.056 27.611 1.00 1.00 N ATOM 792 CA PHE A 54 46.696 -6.271 28.406 1.00 1.00 C ATOM 793 C PHE A 54 48.057 -6.926 28.628 1.00 1.00 C ATOM 794 O PHE A 54 48.139 -8.119 28.924 1.00 1.00 O ATOM 795 CB PHE A 54 45.762 -7.255 27.699 1.00 1.00 C ATOM 796 CG PHE A 54 46.573 -8.180 26.823 1.00 1.00 C ATOM 797 CD1 PHE A 54 47.152 -7.696 25.644 1.00 1.00 C ATOM 798 CD2 PHE A 54 46.747 -9.519 27.190 1.00 1.00 C ATOM 799 CE1 PHE A 54 47.905 -8.552 24.831 1.00 1.00 C ATOM 800 CE2 PHE A 54 47.500 -10.375 26.378 1.00 1.00 C ATOM 801 CZ PHE A 54 48.080 -9.891 25.198 1.00 1.00 C ATOM 0 H PHE A 54 46.594 -5.163 26.625 1.00 1.00 H new ATOM 0 HA PHE A 54 46.275 -6.002 29.375 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.201 -7.832 28.434 1.00 1.00 H new ATOM 0 HB3 PHE A 54 45.034 -6.712 27.097 1.00 1.00 H new ATOM 0 HD1 PHE A 54 47.018 -6.662 25.361 1.00 1.00 H new ATOM 0 HD2 PHE A 54 46.300 -9.892 28.100 1.00 1.00 H new ATOM 0 HE1 PHE A 54 48.351 -8.179 23.921 1.00 1.00 H new ATOM 0 HE2 PHE A 54 47.634 -11.409 26.661 1.00 1.00 H new ATOM 0 HZ PHE A 54 48.662 -10.551 24.572 1.00 1.00 H new ATOM 811 N ARG A 55 49.118 -6.136 28.484 1.00 1.00 N ATOM 812 CA ARG A 55 50.475 -6.643 28.669 1.00 1.00 C ATOM 813 C ARG A 55 51.213 -5.825 29.724 1.00 1.00 C ATOM 814 O ARG A 55 51.818 -6.379 30.642 1.00 1.00 O ATOM 815 CB ARG A 55 51.237 -6.582 27.347 1.00 1.00 C ATOM 816 CG ARG A 55 52.692 -6.998 27.583 1.00 1.00 C ATOM 817 CD ARG A 55 53.382 -7.286 26.247 1.00 1.00 C ATOM 818 NE ARG A 55 53.720 -8.703 26.152 1.00 1.00 N ATOM 819 CZ ARG A 55 52.868 -9.594 25.657 1.00 1.00 C ATOM 820 NH1 ARG A 55 51.693 -9.211 25.238 1.00 1.00 N ATOM 821 NH2 ARG A 55 53.207 -10.853 25.589 1.00 1.00 N ATOM 0 H ARG A 55 49.065 -5.147 28.241 1.00 1.00 H new ATOM 0 HA ARG A 55 50.415 -7.678 29.006 1.00 1.00 H new ATOM 0 HB2 ARG A 55 50.772 -7.242 26.615 1.00 1.00 H new ATOM 0 HB3 ARG A 55 51.197 -5.573 26.937 1.00 1.00 H new ATOM 0 HG2 ARG A 55 53.223 -6.207 28.112 1.00 1.00 H new ATOM 0 HG3 ARG A 55 52.726 -7.884 28.217 1.00 1.00 H new ATOM 0 HD2 ARG A 55 52.727 -7.004 25.422 1.00 1.00 H new ATOM 0 HD3 ARG A 55 54.285 -6.682 26.158 1.00 1.00 H new ATOM 0 HE ARG A 55 54.635 -9.017 26.474 1.00 1.00 H new ATOM 0 HH11 ARG A 55 51.429 -8.227 25.290 1.00 1.00 H new ATOM 0 HH12 ARG A 55 51.039 -9.895 24.858 1.00 1.00 H new ATOM 0 HH21 ARG A 55 54.126 -11.152 25.916 1.00 1.00 H new ATOM 0 HH22 ARG A 55 52.553 -11.537 25.209 1.00 1.00 H new ATOM 835 N LYS A 56 51.159 -4.505 29.586 1.00 1.00 N ATOM 836 CA LYS A 56 51.827 -3.621 30.534 1.00 1.00 C ATOM 837 C LYS A 56 51.384 -3.928 31.961 1.00 1.00 C ATOM 838 O LYS A 56 52.054 -3.552 32.923 1.00 1.00 O ATOM 839 CB LYS A 56 51.511 -2.162 30.199 1.00 1.00 C ATOM 840 CG LYS A 56 49.998 -1.982 30.058 1.00 1.00 C ATOM 841 CD LYS A 56 49.521 -0.915 31.043 1.00 1.00 C ATOM 842 CE LYS A 56 48.021 -0.680 30.854 1.00 1.00 C ATOM 843 NZ LYS A 56 47.640 0.619 31.476 1.00 1.00 N ATOM 0 H LYS A 56 50.664 -4.026 28.833 1.00 1.00 H new ATOM 0 HA LYS A 56 52.902 -3.785 30.459 1.00 1.00 H new ATOM 0 HB2 LYS A 56 51.893 -1.508 30.982 1.00 1.00 H new ATOM 0 HB3 LYS A 56 52.009 -1.875 29.273 1.00 1.00 H new ATOM 0 HG2 LYS A 56 49.749 -1.689 29.038 1.00 1.00 H new ATOM 0 HG3 LYS A 56 49.488 -2.926 30.252 1.00 1.00 H new ATOM 0 HD2 LYS A 56 49.724 -1.232 32.066 1.00 1.00 H new ATOM 0 HD3 LYS A 56 50.068 0.014 30.883 1.00 1.00 H new ATOM 0 HE2 LYS A 56 47.774 -0.673 29.792 1.00 1.00 H new ATOM 0 HE3 LYS A 56 47.455 -1.493 31.308 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 46.620 0.779 31.348 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 47.862 0.596 32.492 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 48.171 1.390 31.023 1.00 1.00 H new ATOM 857 N LYS A 57 50.252 -4.612 32.091 1.00 1.00 N ATOM 858 CA LYS A 57 49.733 -4.965 33.409 1.00 1.00 C ATOM 859 C LYS A 57 50.573 -6.073 34.037 1.00 1.00 C ATOM 860 O LYS A 57 50.538 -6.279 35.250 1.00 1.00 O ATOM 861 CB LYS A 57 48.280 -5.428 33.296 1.00 1.00 C ATOM 862 CG LYS A 57 47.523 -4.514 32.332 1.00 1.00 C ATOM 863 CD LYS A 57 46.134 -4.205 32.898 1.00 1.00 C ATOM 864 CE LYS A 57 46.252 -3.161 34.011 1.00 1.00 C ATOM 865 NZ LYS A 57 45.837 -1.829 33.487 1.00 1.00 N ATOM 0 H LYS A 57 49.681 -4.931 31.309 1.00 1.00 H new ATOM 0 HA LYS A 57 49.783 -4.080 34.044 1.00 1.00 H new ATOM 0 HB2 LYS A 57 48.243 -6.458 32.941 1.00 1.00 H new ATOM 0 HB3 LYS A 57 47.805 -5.411 34.277 1.00 1.00 H new ATOM 0 HG2 LYS A 57 48.079 -3.589 32.181 1.00 1.00 H new ATOM 0 HG3 LYS A 57 47.431 -4.994 31.357 1.00 1.00 H new ATOM 0 HD2 LYS A 57 45.482 -3.835 32.107 1.00 1.00 H new ATOM 0 HD3 LYS A 57 45.678 -5.116 33.287 1.00 1.00 H new ATOM 0 HE2 LYS A 57 45.625 -3.443 34.857 1.00 1.00 H new ATOM 0 HE3 LYS A 57 47.278 -3.117 34.376 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 46.578 -1.129 33.693 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 45.694 -1.890 32.459 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 44.949 -1.538 33.943 1.00 1.00 H new ATOM 879 N GLY A 58 51.325 -6.784 33.203 1.00 1.00 N ATOM 880 CA GLY A 58 52.168 -7.870 33.688 1.00 1.00 C ATOM 881 C GLY A 58 52.506 -8.841 32.563 1.00 1.00 C ATOM 882 O GLY A 58 51.740 -9.761 32.273 1.00 1.00 O ATOM 0 H GLY A 58 51.368 -6.629 32.196 1.00 1.00 H new ATOM 0 HA2 GLY A 58 53.087 -7.462 34.110 1.00 1.00 H new ATOM 0 HA3 GLY A 58 51.657 -8.401 34.491 1.00 1.00 H new ATOM 886 N HIS A 59 53.655 -8.629 31.932 1.00 1.00 N ATOM 887 CA HIS A 59 54.087 -9.490 30.837 1.00 1.00 C ATOM 888 C HIS A 59 53.789 -10.952 31.155 1.00 1.00 C ATOM 889 O HIS A 59 53.660 -11.779 30.253 1.00 1.00 O ATOM 890 CB HIS A 59 55.587 -9.314 30.599 1.00 1.00 C ATOM 891 CG HIS A 59 55.808 -8.467 29.376 1.00 1.00 C ATOM 892 ND1 HIS A 59 55.743 -7.111 29.176 1.00 1.00 N flip ATOM 893 CD2 HIS A 59 56.151 -9.015 28.150 1.00 1.00 C flip ATOM 894 CE1 HIS A 59 56.039 -6.819 27.847 1.00 1.00 C flip ATOM 895 NE2 HIS A 59 56.277 -8.001 27.274 1.00 1.00 N flip ATOM 0 H HIS A 59 54.301 -7.873 32.158 1.00 1.00 H new ATOM 0 HA HIS A 59 53.539 -9.207 29.938 1.00 1.00 H new ATOM 0 HB2 HIS A 59 56.051 -8.845 31.467 1.00 1.00 H new ATOM 0 HB3 HIS A 59 56.062 -10.287 30.471 1.00 1.00 H new ATOM 0 HD2 HIS A 59 56.292 -10.064 27.937 1.00 1.00 H new ATOM 0 HE1 HIS A 59 56.069 -5.846 27.380 1.00 1.00 H new ATOM 0 HE2 HIS A 59 56.524 -8.121 26.292 1.00 1.00 H new ATOM 903 N HIS A 60 53.683 -11.262 32.443 1.00 1.00 N ATOM 904 CA HIS A 60 53.400 -12.628 32.869 1.00 1.00 C ATOM 905 C HIS A 60 52.398 -12.633 34.018 1.00 1.00 C ATOM 906 O HIS A 60 52.108 -13.680 34.597 1.00 1.00 O ATOM 907 CB HIS A 60 54.693 -13.315 33.313 1.00 1.00 C ATOM 908 CG HIS A 60 54.713 -13.424 34.813 1.00 1.00 C ATOM 909 ND1 HIS A 60 54.202 -14.525 35.481 1.00 1.00 N ATOM 910 CD2 HIS A 60 55.177 -12.576 35.788 1.00 1.00 C ATOM 911 CE1 HIS A 60 54.369 -14.314 36.799 1.00 1.00 C ATOM 912 NE2 HIS A 60 54.959 -13.140 37.041 1.00 1.00 N ATOM 0 H HIS A 60 53.788 -10.592 33.205 1.00 1.00 H new ATOM 0 HA HIS A 60 52.972 -13.171 32.026 1.00 1.00 H new ATOM 0 HB2 HIS A 60 54.763 -14.306 32.865 1.00 1.00 H new ATOM 0 HB3 HIS A 60 55.557 -12.747 32.967 1.00 1.00 H new ATOM 0 HD1 HIS A 60 53.776 -15.346 35.051 1.00 1.00 H new ATOM 0 HD2 HIS A 60 55.641 -11.617 35.609 1.00 1.00 H new ATOM 0 HE1 HIS A 60 54.064 -15.009 37.567 1.00 1.00 H new ATOM 920 N HIS A 61 51.873 -11.456 34.344 1.00 1.00 N ATOM 921 CA HIS A 61 50.904 -11.337 35.427 1.00 1.00 C ATOM 922 C HIS A 61 51.536 -11.736 36.757 1.00 1.00 C ATOM 923 O HIS A 61 52.136 -12.804 36.874 1.00 1.00 O ATOM 924 CB HIS A 61 49.694 -12.229 35.147 1.00 1.00 C ATOM 925 CG HIS A 61 49.704 -13.400 36.090 1.00 1.00 C ATOM 926 ND1 HIS A 61 49.378 -13.274 37.431 1.00 1.00 N ATOM 927 CD2 HIS A 61 50.000 -14.728 35.901 1.00 1.00 C ATOM 928 CE1 HIS A 61 49.484 -14.492 37.992 1.00 1.00 C ATOM 929 NE2 HIS A 61 49.860 -15.415 37.104 1.00 1.00 N ATOM 0 H HIS A 61 52.100 -10.578 33.878 1.00 1.00 H new ATOM 0 HA HIS A 61 50.581 -10.298 35.488 1.00 1.00 H new ATOM 0 HB2 HIS A 61 48.773 -11.659 35.268 1.00 1.00 H new ATOM 0 HB3 HIS A 61 49.718 -12.579 34.115 1.00 1.00 H new ATOM 0 HD2 HIS A 61 50.296 -15.172 34.962 1.00 1.00 H new ATOM 0 HE1 HIS A 61 49.289 -14.698 39.034 1.00 1.00 H new ATOM 0 HE2 HIS A 61 50.012 -16.410 37.271 1.00 1.00 H new ATOM 937 N HIS A 62 51.397 -10.871 37.756 1.00 1.00 N ATOM 938 CA HIS A 62 51.959 -11.144 39.074 1.00 1.00 C ATOM 939 C HIS A 62 51.083 -10.537 40.166 1.00 1.00 C ATOM 940 O HIS A 62 50.990 -9.316 40.294 1.00 1.00 O ATOM 941 CB HIS A 62 53.371 -10.563 39.169 1.00 1.00 C ATOM 942 CG HIS A 62 53.887 -10.726 40.572 1.00 1.00 C ATOM 943 ND1 HIS A 62 54.833 -9.872 41.116 1.00 1.00 N ATOM 944 CD2 HIS A 62 53.597 -11.640 41.556 1.00 1.00 C ATOM 945 CE1 HIS A 62 55.078 -10.284 42.374 1.00 1.00 C ATOM 946 NE2 HIS A 62 54.351 -11.359 42.692 1.00 1.00 N ATOM 0 H HIS A 62 50.904 -9.981 37.680 1.00 1.00 H new ATOM 0 HA HIS A 62 52.000 -12.224 39.215 1.00 1.00 H new ATOM 0 HB2 HIS A 62 54.032 -11.069 38.466 1.00 1.00 H new ATOM 0 HB3 HIS A 62 53.361 -9.508 38.894 1.00 1.00 H new ATOM 0 HD2 HIS A 62 52.892 -12.453 41.462 1.00 1.00 H new ATOM 0 HE1 HIS A 62 55.776 -9.805 43.044 1.00 1.00 H new ATOM 0 HE2 HIS A 62 54.349 -11.865 43.577 1.00 1.00 H new ATOM 954 N HIS A 63 50.442 -11.399 40.949 1.00 1.00 N ATOM 955 CA HIS A 63 49.576 -10.944 42.026 1.00 1.00 C ATOM 956 C HIS A 63 49.848 -11.736 43.296 1.00 1.00 C ATOM 957 O HIS A 63 50.976 -12.154 43.557 1.00 1.00 O ATOM 958 CB HIS A 63 48.111 -11.109 41.623 1.00 1.00 C ATOM 959 CG HIS A 63 47.269 -10.110 42.368 1.00 1.00 C ATOM 960 ND1 HIS A 63 47.502 -9.384 43.509 1.00 1.00 N flip ATOM 961 CD2 HIS A 63 45.999 -9.752 41.944 1.00 1.00 C flip ATOM 962 CE1 HIS A 63 46.395 -8.588 43.792 1.00 1.00 C flip ATOM 963 NE2 HIS A 63 45.519 -8.848 42.818 1.00 1.00 N flip ATOM 0 H HIS A 63 50.507 -12.413 40.857 1.00 1.00 H new ATOM 0 HA HIS A 63 49.783 -9.891 42.215 1.00 1.00 H new ATOM 0 HB2 HIS A 63 48.000 -10.964 40.548 1.00 1.00 H new ATOM 0 HB3 HIS A 63 47.774 -12.122 41.845 1.00 1.00 H new ATOM 0 HD2 HIS A 63 45.488 -10.130 41.071 1.00 1.00 H new ATOM 0 HE1 HIS A 63 46.271 -7.907 44.621 1.00 1.00 H new ATOM 0 HE2 HIS A 63 44.599 -8.414 42.745 1.00 1.00 H new ATOM 971 N HIS A 64 48.801 -11.935 44.077 1.00 1.00 N ATOM 972 CA HIS A 64 48.916 -12.679 45.327 1.00 1.00 C ATOM 973 C HIS A 64 48.698 -14.169 45.085 1.00 1.00 C ATOM 974 O HIS A 64 48.725 -14.916 46.049 1.00 1.00 O ATOM 975 CB HIS A 64 47.884 -12.168 46.335 1.00 1.00 C ATOM 976 CG HIS A 64 46.508 -12.259 45.736 1.00 1.00 C ATOM 977 ND1 HIS A 64 45.891 -11.174 45.134 1.00 1.00 N ATOM 978 CD2 HIS A 64 45.618 -13.300 45.636 1.00 1.00 C ATOM 979 CE1 HIS A 64 44.682 -11.581 44.704 1.00 1.00 C ATOM 980 NE2 HIS A 64 44.465 -12.869 44.985 1.00 1.00 N ATOM 981 OXT HIS A 64 48.507 -14.542 43.939 1.00 1.00 O ATOM 0 H HIS A 64 47.862 -11.594 43.872 1.00 1.00 H new ATOM 0 HA HIS A 64 49.919 -12.530 45.726 1.00 1.00 H new ATOM 0 HB2 HIS A 64 47.933 -12.757 47.251 1.00 1.00 H new ATOM 0 HB3 HIS A 64 48.106 -11.136 46.607 1.00 1.00 H new ATOM 0 HD2 HIS A 64 45.787 -14.301 46.006 1.00 1.00 H new ATOM 0 HE1 HIS A 64 43.974 -10.944 44.194 1.00 1.00 H new ATOM 0 HE2 HIS A 64 43.633 -13.419 44.769 1.00 1.00 H new TER 989 HIS A 64