USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= -0.248 (180deg=-1.42!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.327 F(o=-1.3!,f=-0.33) USER MOD Single : A 16 GLN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -1.75! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= -0.175 (180deg=-1.84!) USER MOD Single : A 26 SER OG : rot -97:sc= -1.46 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 150:sc=-0.00829 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -168:sc= 0.223 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.031) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.442 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 :FLIP no HD1:sc= -2.36! C(o=-4!,f=-2.4!) USER MOD Single : A 60 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.51) USER MOD Single : A 61 HIS :FLIP no HE2:sc= -0.421 F(o=-1.3,f=-0.42) USER MOD Single : A 62 HIS : no HD1:sc= -1.55! C(o=-1.6!,f=-3.3!) USER MOD Single : A 63 HIS : no HD1:sc= -0.924 X(o=-0.92,f=-0.61) USER MOD Single : A 64 HIS : no HD1:sc= -0.421! C(o=-0.42!,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.581 4.955 -20.537 1.00 1.00 N ATOM 2 CA MET A 1 29.902 4.030 -19.586 1.00 1.00 C ATOM 3 C MET A 1 28.564 3.593 -20.173 1.00 1.00 C ATOM 4 O MET A 1 27.506 4.043 -19.734 1.00 1.00 O ATOM 5 CB MET A 1 29.679 4.748 -18.252 1.00 1.00 C ATOM 6 CG MET A 1 31.028 5.155 -17.659 1.00 1.00 C ATOM 7 SD MET A 1 31.739 3.752 -16.762 1.00 1.00 S ATOM 8 CE MET A 1 32.821 4.709 -15.670 1.00 1.00 C ATOM 0 H1 MET A 1 31.565 4.649 -20.676 1.00 1.00 H new ATOM 0 H2 MET A 1 30.082 4.943 -21.449 1.00 1.00 H new ATOM 0 H3 MET A 1 30.571 5.920 -20.150 1.00 1.00 H new ATOM 0 HA MET A 1 30.524 3.150 -19.420 1.00 1.00 H new ATOM 0 HB2 MET A 1 29.055 5.629 -18.401 1.00 1.00 H new ATOM 0 HB3 MET A 1 29.148 4.095 -17.560 1.00 1.00 H new ATOM 0 HG2 MET A 1 31.705 5.474 -18.452 1.00 1.00 H new ATOM 0 HG3 MET A 1 30.901 6.004 -16.987 1.00 1.00 H new ATOM 0 HE1 MET A 1 33.368 4.031 -15.015 1.00 1.00 H new ATOM 0 HE2 MET A 1 33.527 5.283 -16.270 1.00 1.00 H new ATOM 0 HE3 MET A 1 32.220 5.389 -15.067 1.00 1.00 H new ATOM 20 N GLU A 2 28.619 2.714 -21.168 1.00 1.00 N ATOM 21 CA GLU A 2 27.405 2.222 -21.808 1.00 1.00 C ATOM 22 C GLU A 2 27.523 0.732 -22.108 1.00 1.00 C ATOM 23 O GLU A 2 27.501 0.318 -23.268 1.00 1.00 O ATOM 24 CB GLU A 2 27.153 2.988 -23.108 1.00 1.00 C ATOM 25 CG GLU A 2 25.721 2.733 -23.582 1.00 1.00 C ATOM 26 CD GLU A 2 24.767 3.715 -22.910 1.00 1.00 C ATOM 27 OE1 GLU A 2 24.766 4.871 -23.300 1.00 1.00 O ATOM 28 OE2 GLU A 2 24.050 3.296 -22.016 1.00 1.00 O ATOM 0 H GLU A 2 29.485 2.330 -21.546 1.00 1.00 H new ATOM 0 HA GLU A 2 26.569 2.378 -21.126 1.00 1.00 H new ATOM 0 HB2 GLU A 2 27.310 4.055 -22.950 1.00 1.00 H new ATOM 0 HB3 GLU A 2 27.862 2.671 -23.873 1.00 1.00 H new ATOM 0 HG2 GLU A 2 25.663 2.840 -24.665 1.00 1.00 H new ATOM 0 HG3 GLU A 2 25.428 1.710 -23.347 1.00 1.00 H new ATOM 35 N GLU A 3 27.647 -0.071 -21.055 1.00 1.00 N ATOM 36 CA GLU A 3 27.768 -1.515 -21.219 1.00 1.00 C ATOM 37 C GLU A 3 26.575 -2.069 -21.992 1.00 1.00 C ATOM 38 O GLU A 3 25.522 -1.436 -22.063 1.00 1.00 O ATOM 39 CB GLU A 3 27.850 -2.191 -19.848 1.00 1.00 C ATOM 40 CG GLU A 3 29.227 -1.936 -19.233 1.00 1.00 C ATOM 41 CD GLU A 3 29.218 -2.321 -17.759 1.00 1.00 C ATOM 42 OE1 GLU A 3 29.209 -3.508 -17.476 1.00 1.00 O ATOM 43 OE2 GLU A 3 29.220 -1.423 -16.932 1.00 1.00 O ATOM 0 H GLU A 3 27.666 0.251 -20.087 1.00 1.00 H new ATOM 0 HA GLU A 3 28.678 -1.723 -21.781 1.00 1.00 H new ATOM 0 HB2 GLU A 3 27.070 -1.803 -19.193 1.00 1.00 H new ATOM 0 HB3 GLU A 3 27.678 -3.263 -19.949 1.00 1.00 H new ATOM 0 HG2 GLU A 3 29.984 -2.513 -19.764 1.00 1.00 H new ATOM 0 HG3 GLU A 3 29.494 -0.885 -19.341 1.00 1.00 H new ATOM 50 N GLY A 4 26.749 -3.253 -22.570 1.00 1.00 N ATOM 51 CA GLY A 4 25.680 -3.882 -23.335 1.00 1.00 C ATOM 52 C GLY A 4 25.764 -3.496 -24.808 1.00 1.00 C ATOM 53 O GLY A 4 24.783 -3.044 -25.398 1.00 1.00 O ATOM 0 H GLY A 4 27.613 -3.792 -22.524 1.00 1.00 H new ATOM 0 HA2 GLY A 4 25.745 -4.965 -23.235 1.00 1.00 H new ATOM 0 HA3 GLY A 4 24.713 -3.582 -22.931 1.00 1.00 H new ATOM 57 N GLY A 5 26.942 -3.678 -25.396 1.00 1.00 N ATOM 58 CA GLY A 5 27.143 -3.345 -26.801 1.00 1.00 C ATOM 59 C GLY A 5 27.037 -4.589 -27.676 1.00 1.00 C ATOM 60 O GLY A 5 26.480 -4.543 -28.773 1.00 1.00 O ATOM 0 H GLY A 5 27.766 -4.051 -24.925 1.00 1.00 H new ATOM 0 HA2 GLY A 5 26.401 -2.611 -27.115 1.00 1.00 H new ATOM 0 HA3 GLY A 5 28.122 -2.885 -26.933 1.00 1.00 H new ATOM 64 N ASP A 6 27.576 -5.700 -27.184 1.00 1.00 N ATOM 65 CA ASP A 6 27.537 -6.951 -27.931 1.00 1.00 C ATOM 66 C ASP A 6 27.842 -6.706 -29.405 1.00 1.00 C ATOM 67 O ASP A 6 27.459 -7.495 -30.268 1.00 1.00 O ATOM 68 CB ASP A 6 26.156 -7.598 -27.795 1.00 1.00 C ATOM 69 CG ASP A 6 26.187 -9.015 -28.357 1.00 1.00 C ATOM 70 OD1 ASP A 6 27.274 -9.551 -28.499 1.00 1.00 O ATOM 71 OD2 ASP A 6 25.123 -9.544 -28.636 1.00 1.00 O ATOM 0 H ASP A 6 28.041 -5.759 -26.278 1.00 1.00 H new ATOM 0 HA ASP A 6 28.294 -7.620 -27.521 1.00 1.00 H new ATOM 0 HB2 ASP A 6 25.857 -7.620 -26.747 1.00 1.00 H new ATOM 0 HB3 ASP A 6 25.413 -7.003 -28.326 1.00 1.00 H new ATOM 76 N PHE A 7 28.537 -5.608 -29.685 1.00 1.00 N ATOM 77 CA PHE A 7 28.888 -5.268 -31.060 1.00 1.00 C ATOM 78 C PHE A 7 30.273 -4.632 -31.116 1.00 1.00 C ATOM 79 O PHE A 7 30.796 -4.355 -32.196 1.00 1.00 O ATOM 80 CB PHE A 7 27.855 -4.300 -31.639 1.00 1.00 C ATOM 81 CG PHE A 7 28.281 -2.879 -31.354 1.00 1.00 C ATOM 82 CD1 PHE A 7 28.647 -2.505 -30.056 1.00 1.00 C ATOM 83 CD2 PHE A 7 28.310 -1.935 -32.389 1.00 1.00 C ATOM 84 CE1 PHE A 7 29.042 -1.189 -29.791 1.00 1.00 C ATOM 85 CE2 PHE A 7 28.704 -0.618 -32.123 1.00 1.00 C ATOM 86 CZ PHE A 7 29.070 -0.245 -30.824 1.00 1.00 C ATOM 0 H PHE A 7 28.866 -4.943 -28.985 1.00 1.00 H new ATOM 0 HA PHE A 7 28.897 -6.184 -31.651 1.00 1.00 H new ATOM 0 HB2 PHE A 7 27.759 -4.454 -32.714 1.00 1.00 H new ATOM 0 HB3 PHE A 7 26.875 -4.492 -31.201 1.00 1.00 H new ATOM 0 HD1 PHE A 7 28.625 -3.233 -29.258 1.00 1.00 H new ATOM 0 HD2 PHE A 7 28.029 -2.223 -33.391 1.00 1.00 H new ATOM 0 HE1 PHE A 7 29.325 -0.902 -28.789 1.00 1.00 H new ATOM 0 HE2 PHE A 7 28.726 0.110 -32.920 1.00 1.00 H new ATOM 0 HZ PHE A 7 29.374 0.771 -30.619 1.00 1.00 H new ATOM 96 N ASP A 8 30.862 -4.402 -29.947 1.00 1.00 N ATOM 97 CA ASP A 8 32.187 -3.799 -29.876 1.00 1.00 C ATOM 98 C ASP A 8 33.136 -4.468 -30.864 1.00 1.00 C ATOM 99 O ASP A 8 33.321 -5.686 -30.835 1.00 1.00 O ATOM 100 CB ASP A 8 32.746 -3.932 -28.459 1.00 1.00 C ATOM 101 CG ASP A 8 33.540 -2.683 -28.091 1.00 1.00 C ATOM 102 OD1 ASP A 8 34.167 -2.121 -28.976 1.00 1.00 O ATOM 103 OD2 ASP A 8 33.510 -2.306 -26.932 1.00 1.00 O ATOM 0 H ASP A 8 30.446 -4.622 -29.042 1.00 1.00 H new ATOM 0 HA ASP A 8 32.098 -2.744 -30.134 1.00 1.00 H new ATOM 0 HB2 ASP A 8 31.931 -4.077 -27.750 1.00 1.00 H new ATOM 0 HB3 ASP A 8 33.386 -4.812 -28.393 1.00 1.00 H new ATOM 108 N ASN A 9 33.734 -3.667 -31.740 1.00 1.00 N ATOM 109 CA ASN A 9 34.662 -4.195 -32.733 1.00 1.00 C ATOM 110 C ASN A 9 35.583 -3.091 -33.246 1.00 1.00 C ATOM 111 O ASN A 9 36.798 -3.270 -33.324 1.00 1.00 O ATOM 112 CB ASN A 9 33.886 -4.798 -33.905 1.00 1.00 C ATOM 113 CG ASN A 9 34.855 -5.284 -34.977 1.00 1.00 C ATOM 114 OD1 ASN A 9 35.446 -6.355 -34.843 1.00 1.00 O ATOM 115 ND2 ASN A 9 35.054 -4.554 -36.041 1.00 1.00 N ATOM 0 H ASN A 9 33.594 -2.658 -31.783 1.00 1.00 H new ATOM 0 HA ASN A 9 35.267 -4.969 -32.261 1.00 1.00 H new ATOM 0 HB2 ASN A 9 33.271 -5.627 -33.556 1.00 1.00 H new ATOM 0 HB3 ASN A 9 33.209 -4.054 -34.325 1.00 1.00 H new ATOM 0 HD21 ASN A 9 35.700 -4.871 -36.763 1.00 1.00 H new ATOM 0 HD22 ASN A 9 34.563 -3.667 -36.150 1.00 1.00 H new ATOM 122 N TYR A 10 34.995 -1.951 -33.593 1.00 1.00 N ATOM 123 CA TYR A 10 35.773 -0.825 -34.096 1.00 1.00 C ATOM 124 C TYR A 10 36.914 -0.492 -33.141 1.00 1.00 C ATOM 125 O TYR A 10 38.045 -0.257 -33.567 1.00 1.00 O ATOM 126 CB TYR A 10 34.871 0.400 -34.264 1.00 1.00 C ATOM 127 CG TYR A 10 34.002 0.223 -35.486 1.00 1.00 C ATOM 128 CD1 TYR A 10 34.528 0.472 -36.760 1.00 1.00 C ATOM 129 CD2 TYR A 10 32.673 -0.191 -35.347 1.00 1.00 C ATOM 130 CE1 TYR A 10 33.723 0.309 -37.894 1.00 1.00 C ATOM 131 CE2 TYR A 10 31.868 -0.355 -36.481 1.00 1.00 C ATOM 132 CZ TYR A 10 32.393 -0.105 -37.754 1.00 1.00 C ATOM 133 OH TYR A 10 31.600 -0.267 -38.872 1.00 1.00 O ATOM 0 H TYR A 10 33.991 -1.783 -33.536 1.00 1.00 H new ATOM 0 HA TYR A 10 36.193 -1.102 -35.063 1.00 1.00 H new ATOM 0 HB2 TYR A 10 34.249 0.531 -33.378 1.00 1.00 H new ATOM 0 HB3 TYR A 10 35.477 1.300 -34.363 1.00 1.00 H new ATOM 0 HD1 TYR A 10 35.555 0.790 -36.868 1.00 1.00 H new ATOM 0 HD2 TYR A 10 32.268 -0.384 -34.365 1.00 1.00 H new ATOM 0 HE1 TYR A 10 34.128 0.503 -38.876 1.00 1.00 H new ATOM 0 HE2 TYR A 10 30.842 -0.674 -36.373 1.00 1.00 H new ATOM 0 HH TYR A 10 30.705 -0.559 -38.599 1.00 1.00 H new ATOM 143 N TYR A 11 36.609 -0.472 -31.848 1.00 1.00 N ATOM 144 CA TYR A 11 37.619 -0.167 -30.840 1.00 1.00 C ATOM 145 C TYR A 11 38.028 1.301 -30.919 1.00 1.00 C ATOM 146 O TYR A 11 37.776 2.076 -29.997 1.00 1.00 O ATOM 147 CB TYR A 11 38.848 -1.053 -31.047 1.00 1.00 C ATOM 148 CG TYR A 11 39.473 -1.368 -29.708 1.00 1.00 C ATOM 149 CD1 TYR A 11 40.199 -0.383 -29.026 1.00 1.00 C ATOM 150 CD2 TYR A 11 39.327 -2.643 -29.150 1.00 1.00 C ATOM 151 CE1 TYR A 11 40.778 -0.675 -27.786 1.00 1.00 C ATOM 152 CE2 TYR A 11 39.906 -2.935 -27.910 1.00 1.00 C ATOM 153 CZ TYR A 11 40.631 -1.950 -27.227 1.00 1.00 C ATOM 154 OH TYR A 11 41.203 -2.238 -26.004 1.00 1.00 O ATOM 0 H TYR A 11 35.679 -0.662 -31.475 1.00 1.00 H new ATOM 0 HA TYR A 11 37.193 -0.362 -29.856 1.00 1.00 H new ATOM 0 HB2 TYR A 11 38.564 -1.975 -31.554 1.00 1.00 H new ATOM 0 HB3 TYR A 11 39.570 -0.547 -31.688 1.00 1.00 H new ATOM 0 HD1 TYR A 11 40.312 0.601 -29.457 1.00 1.00 H new ATOM 0 HD2 TYR A 11 38.767 -3.402 -29.677 1.00 1.00 H new ATOM 0 HE1 TYR A 11 41.339 0.084 -27.260 1.00 1.00 H new ATOM 0 HE2 TYR A 11 39.794 -3.919 -27.480 1.00 1.00 H new ATOM 0 HH TYR A 11 41.004 -3.166 -25.760 1.00 1.00 H new ATOM 164 N GLY A 12 38.658 1.676 -32.028 1.00 1.00 N ATOM 165 CA GLY A 12 39.097 3.053 -32.217 1.00 1.00 C ATOM 166 C GLY A 12 37.966 4.031 -31.918 1.00 1.00 C ATOM 167 O GLY A 12 38.203 5.148 -31.457 1.00 1.00 O ATOM 0 H GLY A 12 38.874 1.050 -32.804 1.00 1.00 H new ATOM 0 HA2 GLY A 12 39.945 3.261 -31.565 1.00 1.00 H new ATOM 0 HA3 GLY A 12 39.442 3.192 -33.242 1.00 1.00 H new ATOM 171 N ALA A 13 36.736 3.604 -32.185 1.00 1.00 N ATOM 172 CA ALA A 13 35.575 4.452 -31.940 1.00 1.00 C ATOM 173 C ALA A 13 35.706 5.168 -30.601 1.00 1.00 C ATOM 174 O ALA A 13 35.169 6.260 -30.413 1.00 1.00 O ATOM 175 CB ALA A 13 34.300 3.606 -31.945 1.00 1.00 C ATOM 0 H ALA A 13 36.518 2.684 -32.568 1.00 1.00 H new ATOM 0 HA ALA A 13 35.520 5.197 -32.733 1.00 1.00 H new ATOM 0 HB1 ALA A 13 33.438 4.247 -31.761 1.00 1.00 H new ATOM 0 HB2 ALA A 13 34.190 3.119 -32.914 1.00 1.00 H new ATOM 0 HB3 ALA A 13 34.363 2.849 -31.163 1.00 1.00 H new ATOM 181 N ASP A 14 36.426 4.548 -29.671 1.00 1.00 N ATOM 182 CA ASP A 14 36.622 5.137 -28.351 1.00 1.00 C ATOM 183 C ASP A 14 37.067 6.591 -28.474 1.00 1.00 C ATOM 184 O ASP A 14 36.977 7.360 -27.517 1.00 1.00 O ATOM 185 CB ASP A 14 37.675 4.342 -27.576 1.00 1.00 C ATOM 186 CG ASP A 14 38.838 3.983 -28.495 1.00 1.00 C ATOM 187 OD1 ASP A 14 39.210 4.819 -29.302 1.00 1.00 O ATOM 188 OD2 ASP A 14 39.339 2.876 -28.379 1.00 1.00 O ATOM 0 H ASP A 14 36.880 3.645 -29.805 1.00 1.00 H new ATOM 0 HA ASP A 14 35.674 5.104 -27.814 1.00 1.00 H new ATOM 0 HB2 ASP A 14 38.036 4.928 -26.731 1.00 1.00 H new ATOM 0 HB3 ASP A 14 37.230 3.435 -27.168 1.00 1.00 H new ATOM 193 N ASN A 15 37.547 6.960 -29.658 1.00 1.00 N ATOM 194 CA ASN A 15 38.003 8.324 -29.893 1.00 1.00 C ATOM 195 C ASN A 15 36.943 9.328 -29.452 1.00 1.00 C ATOM 196 O ASN A 15 37.264 10.407 -28.954 1.00 1.00 O ATOM 197 CB ASN A 15 38.308 8.524 -31.379 1.00 1.00 C ATOM 198 CG ASN A 15 39.149 9.781 -31.575 1.00 1.00 C ATOM 199 OD1 ASN A 15 39.344 10.588 -30.568 1.00 1.00 O flip ATOM 200 ND2 ASN A 15 39.639 10.036 -32.674 1.00 1.00 N flip ATOM 0 H ASN A 15 37.630 6.339 -30.463 1.00 1.00 H new ATOM 0 HA ASN A 15 38.909 8.489 -29.310 1.00 1.00 H new ATOM 0 HB2 ASN A 15 38.840 7.656 -31.769 1.00 1.00 H new ATOM 0 HB3 ASN A 15 37.378 8.607 -31.941 1.00 1.00 H new ATOM 0 HD21 ASN A 15 39.486 9.404 -33.460 1.00 1.00 H new ATOM 0 HD22 ASN A 15 40.199 10.879 -32.799 1.00 1.00 H new ATOM 207 N GLN A 16 35.677 8.964 -29.636 1.00 1.00 N ATOM 208 CA GLN A 16 34.578 9.841 -29.252 1.00 1.00 C ATOM 209 C GLN A 16 33.972 9.393 -27.926 1.00 1.00 C ATOM 210 O GLN A 16 32.753 9.385 -27.761 1.00 1.00 O ATOM 211 CB GLN A 16 33.499 9.831 -30.337 1.00 1.00 C ATOM 212 CG GLN A 16 34.123 10.208 -31.682 1.00 1.00 C ATOM 213 CD GLN A 16 33.384 11.396 -32.286 1.00 1.00 C ATOM 214 OE1 GLN A 16 34.000 12.411 -32.614 1.00 1.00 O ATOM 215 NE2 GLN A 16 32.090 11.333 -32.452 1.00 1.00 N ATOM 0 H GLN A 16 35.389 8.075 -30.045 1.00 1.00 H new ATOM 0 HA GLN A 16 34.969 10.852 -29.136 1.00 1.00 H new ATOM 0 HB2 GLN A 16 33.042 8.844 -30.401 1.00 1.00 H new ATOM 0 HB3 GLN A 16 32.706 10.534 -30.082 1.00 1.00 H new ATOM 0 HG2 GLN A 16 35.176 10.455 -31.547 1.00 1.00 H new ATOM 0 HG3 GLN A 16 34.080 9.358 -32.363 1.00 1.00 H new ATOM 0 HE21 GLN A 16 31.581 10.492 -32.180 1.00 1.00 H new ATOM 0 HE22 GLN A 16 31.588 12.125 -32.854 1.00 1.00 H new ATOM 224 N SER A 17 34.833 9.020 -26.985 1.00 1.00 N ATOM 225 CA SER A 17 34.372 8.572 -25.676 1.00 1.00 C ATOM 226 C SER A 17 35.272 9.120 -24.573 1.00 1.00 C ATOM 227 O SER A 17 36.097 10.002 -24.813 1.00 1.00 O ATOM 228 CB SER A 17 34.366 7.044 -25.619 1.00 1.00 C ATOM 229 OG SER A 17 33.471 6.542 -26.603 1.00 1.00 O ATOM 0 H SER A 17 35.846 9.019 -27.103 1.00 1.00 H new ATOM 0 HA SER A 17 33.360 8.945 -25.522 1.00 1.00 H new ATOM 0 HB2 SER A 17 35.370 6.658 -25.793 1.00 1.00 H new ATOM 0 HB3 SER A 17 34.062 6.706 -24.628 1.00 1.00 H new ATOM 0 HG SER A 17 33.465 5.563 -26.571 1.00 1.00 H new ATOM 235 N GLU A 18 35.108 8.592 -23.364 1.00 1.00 N ATOM 236 CA GLU A 18 35.912 9.037 -22.232 1.00 1.00 C ATOM 237 C GLU A 18 37.388 9.091 -22.612 1.00 1.00 C ATOM 238 O GLU A 18 38.091 8.081 -22.557 1.00 1.00 O ATOM 239 CB GLU A 18 35.721 8.083 -21.050 1.00 1.00 C ATOM 240 CG GLU A 18 34.235 7.995 -20.700 1.00 1.00 C ATOM 241 CD GLU A 18 33.751 6.556 -20.844 1.00 1.00 C ATOM 242 OE1 GLU A 18 33.363 6.189 -21.941 1.00 1.00 O ATOM 243 OE2 GLU A 18 33.775 5.842 -19.855 1.00 1.00 O ATOM 0 H GLU A 18 34.431 7.861 -23.144 1.00 1.00 H new ATOM 0 HA GLU A 18 35.585 10.037 -21.948 1.00 1.00 H new ATOM 0 HB2 GLU A 18 36.105 7.094 -21.301 1.00 1.00 H new ATOM 0 HB3 GLU A 18 36.288 8.436 -20.189 1.00 1.00 H new ATOM 0 HG2 GLU A 18 34.072 8.342 -19.680 1.00 1.00 H new ATOM 0 HG3 GLU A 18 33.659 8.649 -21.355 1.00 1.00 H new ATOM 250 N CYS A 19 37.852 10.275 -22.996 1.00 1.00 N ATOM 251 CA CYS A 19 39.247 10.450 -23.383 1.00 1.00 C ATOM 252 C CYS A 19 40.042 11.086 -22.247 1.00 1.00 C ATOM 253 O CYS A 19 41.205 10.747 -22.025 1.00 1.00 O ATOM 254 CB CYS A 19 39.337 11.333 -24.629 1.00 1.00 C ATOM 255 SG CYS A 19 38.980 13.050 -24.179 1.00 1.00 S ATOM 0 H CYS A 19 37.287 11.123 -23.048 1.00 1.00 H new ATOM 0 HA CYS A 19 39.670 9.469 -23.602 1.00 1.00 H new ATOM 0 HB2 CYS A 19 40.332 11.260 -25.068 1.00 1.00 H new ATOM 0 HB3 CYS A 19 38.630 10.989 -25.384 1.00 1.00 H new ATOM 0 HG CYS A 19 39.058 13.801 -25.237 1.00 1.00 H new ATOM 261 N GLU A 20 39.408 12.011 -21.533 1.00 1.00 N ATOM 262 CA GLU A 20 40.067 12.688 -20.422 1.00 1.00 C ATOM 263 C GLU A 20 39.071 12.978 -19.305 1.00 1.00 C ATOM 264 O GLU A 20 39.000 14.099 -18.799 1.00 1.00 O ATOM 265 CB GLU A 20 40.691 13.998 -20.906 1.00 1.00 C ATOM 266 CG GLU A 20 41.771 13.696 -21.947 1.00 1.00 C ATOM 267 CD GLU A 20 42.548 14.966 -22.276 1.00 1.00 C ATOM 268 OE1 GLU A 20 42.990 15.624 -21.349 1.00 1.00 O ATOM 269 OE2 GLU A 20 42.689 15.263 -23.452 1.00 1.00 O ATOM 0 H GLU A 20 38.447 12.307 -21.702 1.00 1.00 H new ATOM 0 HA GLU A 20 40.849 12.035 -20.035 1.00 1.00 H new ATOM 0 HB2 GLU A 20 39.924 14.640 -21.338 1.00 1.00 H new ATOM 0 HB3 GLU A 20 41.123 14.540 -20.065 1.00 1.00 H new ATOM 0 HG2 GLU A 20 42.450 12.932 -21.568 1.00 1.00 H new ATOM 0 HG3 GLU A 20 41.314 13.295 -22.852 1.00 1.00 H new ATOM 276 N TYR A 21 38.303 11.963 -18.924 1.00 1.00 N ATOM 277 CA TYR A 21 37.313 12.121 -17.865 1.00 1.00 C ATOM 278 C TYR A 21 37.271 10.879 -16.981 1.00 1.00 C ATOM 279 O TYR A 21 36.241 10.563 -16.386 1.00 1.00 O ATOM 280 CB TYR A 21 35.931 12.363 -18.474 1.00 1.00 C ATOM 281 CG TYR A 21 36.010 13.493 -19.472 1.00 1.00 C ATOM 282 CD1 TYR A 21 36.473 13.248 -20.770 1.00 1.00 C ATOM 283 CD2 TYR A 21 35.619 14.785 -19.100 1.00 1.00 C ATOM 284 CE1 TYR A 21 36.547 14.296 -21.696 1.00 1.00 C ATOM 285 CE2 TYR A 21 35.694 15.833 -20.025 1.00 1.00 C ATOM 286 CZ TYR A 21 36.156 15.588 -21.324 1.00 1.00 C ATOM 287 OH TYR A 21 36.229 16.621 -22.236 1.00 1.00 O ATOM 0 H TYR A 21 38.346 11.028 -19.329 1.00 1.00 H new ATOM 0 HA TYR A 21 37.596 12.978 -17.254 1.00 1.00 H new ATOM 0 HB2 TYR A 21 35.574 11.457 -18.963 1.00 1.00 H new ATOM 0 HB3 TYR A 21 35.214 12.606 -17.690 1.00 1.00 H new ATOM 0 HD1 TYR A 21 36.773 12.251 -21.057 1.00 1.00 H new ATOM 0 HD2 TYR A 21 35.259 14.973 -18.099 1.00 1.00 H new ATOM 0 HE1 TYR A 21 36.906 14.108 -22.697 1.00 1.00 H new ATOM 0 HE2 TYR A 21 35.396 16.830 -19.737 1.00 1.00 H new ATOM 0 HH TYR A 21 35.919 17.451 -21.816 1.00 1.00 H new ATOM 297 N THR A 22 38.399 10.179 -16.899 1.00 1.00 N ATOM 298 CA THR A 22 38.479 8.972 -16.084 1.00 1.00 C ATOM 299 C THR A 22 39.911 8.450 -16.040 1.00 1.00 C ATOM 300 O THR A 22 40.354 7.909 -15.026 1.00 1.00 O ATOM 301 CB THR A 22 37.558 7.893 -16.656 1.00 1.00 C ATOM 302 OG1 THR A 22 37.692 6.703 -15.891 1.00 1.00 O ATOM 303 CG2 THR A 22 37.938 7.613 -18.110 1.00 1.00 C ATOM 0 H THR A 22 39.263 10.424 -17.383 1.00 1.00 H new ATOM 0 HA THR A 22 38.163 9.219 -15.071 1.00 1.00 H new ATOM 0 HB THR A 22 36.525 8.238 -16.614 1.00 1.00 H new ATOM 0 HG1 THR A 22 37.101 6.011 -16.256 1.00 1.00 H new ATOM 0 HG21 THR A 22 37.281 6.844 -18.516 1.00 1.00 H new ATOM 0 HG22 THR A 22 37.833 8.526 -18.696 1.00 1.00 H new ATOM 0 HG23 THR A 22 38.971 7.269 -18.156 1.00 1.00 H new ATOM 311 N ASP A 23 40.631 8.617 -17.144 1.00 1.00 N ATOM 312 CA ASP A 23 42.013 8.157 -17.220 1.00 1.00 C ATOM 313 C ASP A 23 42.954 9.183 -16.596 1.00 1.00 C ATOM 314 O ASP A 23 44.174 9.032 -16.649 1.00 1.00 O ATOM 315 CB ASP A 23 42.406 7.923 -18.681 1.00 1.00 C ATOM 316 CG ASP A 23 42.433 9.250 -19.433 1.00 1.00 C ATOM 317 OD1 ASP A 23 42.037 10.247 -18.850 1.00 1.00 O ATOM 318 OD2 ASP A 23 42.848 9.249 -20.579 1.00 1.00 O ATOM 0 H ASP A 23 40.284 9.064 -17.993 1.00 1.00 H new ATOM 0 HA ASP A 23 42.096 7.221 -16.667 1.00 1.00 H new ATOM 0 HB2 ASP A 23 43.385 7.447 -18.731 1.00 1.00 H new ATOM 0 HB3 ASP A 23 41.697 7.243 -19.153 1.00 1.00 H new ATOM 323 N TRP A 24 42.378 10.226 -16.007 1.00 1.00 N ATOM 324 CA TRP A 24 43.176 11.271 -15.376 1.00 1.00 C ATOM 325 C TRP A 24 42.516 11.741 -14.083 1.00 1.00 C ATOM 326 O TRP A 24 42.576 12.921 -13.738 1.00 1.00 O ATOM 327 CB TRP A 24 43.333 12.455 -16.331 1.00 1.00 C ATOM 328 CG TRP A 24 42.098 13.296 -16.292 1.00 1.00 C ATOM 329 CD1 TRP A 24 40.898 12.937 -16.804 1.00 1.00 C ATOM 330 CD2 TRP A 24 41.919 14.625 -15.720 1.00 1.00 C ATOM 331 NE1 TRP A 24 39.994 13.961 -16.584 1.00 1.00 N ATOM 332 CE2 TRP A 24 40.576 15.022 -15.919 1.00 1.00 C ATOM 333 CE3 TRP A 24 42.783 15.513 -15.056 1.00 1.00 C ATOM 334 CZ2 TRP A 24 40.106 16.259 -15.475 1.00 1.00 C ATOM 335 CZ3 TRP A 24 42.313 16.759 -14.606 1.00 1.00 C ATOM 336 CH2 TRP A 24 40.978 17.131 -14.816 1.00 1.00 C ATOM 0 H TRP A 24 41.370 10.370 -15.953 1.00 1.00 H new ATOM 0 HA TRP A 24 44.158 10.861 -15.141 1.00 1.00 H new ATOM 0 HB2 TRP A 24 44.201 13.051 -16.048 1.00 1.00 H new ATOM 0 HB3 TRP A 24 43.510 12.097 -17.345 1.00 1.00 H new ATOM 0 HD1 TRP A 24 40.681 12.004 -17.303 1.00 1.00 H new ATOM 0 HE1 TRP A 24 39.017 13.935 -16.877 1.00 1.00 H new ATOM 0 HE3 TRP A 24 43.814 15.236 -14.891 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 39.076 16.541 -15.639 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 42.984 17.434 -14.096 1.00 1.00 H new ATOM 0 HH2 TRP A 24 40.623 18.090 -14.469 1.00 1.00 H new ATOM 347 N LYS A 25 41.890 10.809 -13.371 1.00 1.00 N ATOM 348 CA LYS A 25 41.223 11.139 -12.118 1.00 1.00 C ATOM 349 C LYS A 25 42.074 12.101 -11.295 1.00 1.00 C ATOM 350 O LYS A 25 43.271 12.251 -11.539 1.00 1.00 O ATOM 351 CB LYS A 25 40.967 9.864 -11.310 1.00 1.00 C ATOM 352 CG LYS A 25 39.490 9.789 -10.920 1.00 1.00 C ATOM 353 CD LYS A 25 38.643 9.535 -12.169 1.00 1.00 C ATOM 354 CE LYS A 25 37.516 10.567 -12.242 1.00 1.00 C ATOM 355 NZ LYS A 25 36.563 10.185 -13.323 1.00 1.00 N ATOM 0 H LYS A 25 41.831 9.826 -13.638 1.00 1.00 H new ATOM 0 HA LYS A 25 40.272 11.619 -12.350 1.00 1.00 H new ATOM 0 HB2 LYS A 25 41.243 8.988 -11.897 1.00 1.00 H new ATOM 0 HB3 LYS A 25 41.590 9.857 -10.416 1.00 1.00 H new ATOM 0 HG2 LYS A 25 39.335 8.991 -10.194 1.00 1.00 H new ATOM 0 HG3 LYS A 25 39.182 10.719 -10.442 1.00 1.00 H new ATOM 0 HD2 LYS A 25 39.265 9.597 -13.062 1.00 1.00 H new ATOM 0 HD3 LYS A 25 38.227 8.528 -12.140 1.00 1.00 H new ATOM 0 HE2 LYS A 25 36.995 10.621 -11.286 1.00 1.00 H new ATOM 0 HE3 LYS A 25 37.927 11.557 -12.438 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 35.600 10.473 -13.055 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 36.833 10.660 -14.208 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 36.590 9.155 -13.461 1.00 1.00 H new ATOM 369 N SER A 26 41.448 12.752 -10.320 1.00 1.00 N ATOM 370 CA SER A 26 42.158 13.697 -9.467 1.00 1.00 C ATOM 371 C SER A 26 43.043 12.959 -8.468 1.00 1.00 C ATOM 372 O SER A 26 44.265 12.927 -8.612 1.00 1.00 O ATOM 373 CB SER A 26 41.158 14.575 -8.714 1.00 1.00 C ATOM 374 OG SER A 26 39.933 13.869 -8.566 1.00 1.00 O ATOM 0 H SER A 26 40.457 12.644 -10.102 1.00 1.00 H new ATOM 0 HA SER A 26 42.788 14.324 -10.099 1.00 1.00 H new ATOM 0 HB2 SER A 26 41.557 14.844 -7.736 1.00 1.00 H new ATOM 0 HB3 SER A 26 40.992 15.505 -9.257 1.00 1.00 H new ATOM 0 HG SER A 26 39.311 14.142 -9.272 1.00 1.00 H new ATOM 380 N SER A 27 42.418 12.366 -7.456 1.00 1.00 N ATOM 381 CA SER A 27 43.159 11.631 -6.439 1.00 1.00 C ATOM 382 C SER A 27 43.878 12.593 -5.499 1.00 1.00 C ATOM 383 O SER A 27 44.321 12.206 -4.418 1.00 1.00 O ATOM 384 CB SER A 27 44.179 10.706 -7.102 1.00 1.00 C ATOM 385 OG SER A 27 44.352 9.544 -6.302 1.00 1.00 O ATOM 0 H SER A 27 41.407 12.380 -7.319 1.00 1.00 H new ATOM 0 HA SER A 27 42.452 11.036 -5.861 1.00 1.00 H new ATOM 0 HB2 SER A 27 43.839 10.427 -8.099 1.00 1.00 H new ATOM 0 HB3 SER A 27 45.131 11.223 -7.223 1.00 1.00 H new ATOM 0 HG SER A 27 45.005 8.949 -6.726 1.00 1.00 H new ATOM 391 N GLY A 28 43.990 13.849 -5.920 1.00 1.00 N ATOM 392 CA GLY A 28 44.658 14.860 -5.108 1.00 1.00 C ATOM 393 C GLY A 28 43.883 16.173 -5.127 1.00 1.00 C ATOM 394 O GLY A 28 44.319 17.168 -4.549 1.00 1.00 O ATOM 0 H GLY A 28 43.630 14.189 -6.812 1.00 1.00 H new ATOM 0 HA2 GLY A 28 44.753 14.504 -4.082 1.00 1.00 H new ATOM 0 HA3 GLY A 28 45.668 15.024 -5.483 1.00 1.00 H new ATOM 398 N ALA A 29 42.732 16.165 -5.797 1.00 1.00 N ATOM 399 CA ALA A 29 41.899 17.360 -5.889 1.00 1.00 C ATOM 400 C ALA A 29 40.466 17.048 -5.467 1.00 1.00 C ATOM 401 O ALA A 29 39.640 17.952 -5.334 1.00 1.00 O ATOM 402 CB ALA A 29 41.905 17.891 -7.324 1.00 1.00 C ATOM 0 H ALA A 29 42.358 15.349 -6.281 1.00 1.00 H new ATOM 0 HA ALA A 29 42.307 18.117 -5.219 1.00 1.00 H new ATOM 0 HB1 ALA A 29 41.281 18.783 -7.385 1.00 1.00 H new ATOM 0 HB2 ALA A 29 42.925 18.141 -7.615 1.00 1.00 H new ATOM 0 HB3 ALA A 29 41.513 17.128 -7.996 1.00 1.00 H new ATOM 408 N LEU A 30 40.183 15.766 -5.258 1.00 1.00 N ATOM 409 CA LEU A 30 38.847 15.340 -4.849 1.00 1.00 C ATOM 410 C LEU A 30 38.868 14.830 -3.412 1.00 1.00 C ATOM 411 O LEU A 30 37.819 14.640 -2.796 1.00 1.00 O ATOM 412 CB LEU A 30 38.351 14.227 -5.778 1.00 1.00 C ATOM 413 CG LEU A 30 37.357 14.795 -6.798 1.00 1.00 C ATOM 414 CD1 LEU A 30 36.067 15.227 -6.092 1.00 1.00 C ATOM 415 CD2 LEU A 30 37.981 16.003 -7.502 1.00 1.00 C ATOM 0 H LEU A 30 40.856 15.007 -5.364 1.00 1.00 H new ATOM 0 HA LEU A 30 38.174 16.195 -4.911 1.00 1.00 H new ATOM 0 HB2 LEU A 30 39.195 13.772 -6.296 1.00 1.00 H new ATOM 0 HB3 LEU A 30 37.874 13.440 -5.193 1.00 1.00 H new ATOM 0 HG LEU A 30 37.121 14.024 -7.531 1.00 1.00 H new ATOM 0 HD11 LEU A 30 35.368 15.629 -6.825 1.00 1.00 H new ATOM 0 HD12 LEU A 30 35.618 14.366 -5.596 1.00 1.00 H new ATOM 0 HD13 LEU A 30 36.297 15.993 -5.352 1.00 1.00 H new ATOM 0 HD21 LEU A 30 37.274 16.407 -8.227 1.00 1.00 H new ATOM 0 HD22 LEU A 30 38.222 16.769 -6.765 1.00 1.00 H new ATOM 0 HD23 LEU A 30 38.891 15.694 -8.016 1.00 1.00 H new ATOM 427 N ILE A 31 40.068 14.612 -2.885 1.00 1.00 N ATOM 428 CA ILE A 31 40.213 14.124 -1.517 1.00 1.00 C ATOM 429 C ILE A 31 40.285 15.284 -0.521 1.00 1.00 C ATOM 430 O ILE A 31 39.715 15.202 0.568 1.00 1.00 O ATOM 431 CB ILE A 31 41.470 13.255 -1.391 1.00 1.00 C ATOM 432 CG1 ILE A 31 41.897 12.743 -2.775 1.00 1.00 C ATOM 433 CG2 ILE A 31 41.179 12.065 -0.475 1.00 1.00 C ATOM 434 CD1 ILE A 31 40.730 12.025 -3.462 1.00 1.00 C ATOM 0 H ILE A 31 40.948 14.764 -3.379 1.00 1.00 H new ATOM 0 HA ILE A 31 39.335 13.523 -1.283 1.00 1.00 H new ATOM 0 HB ILE A 31 42.276 13.855 -0.968 1.00 1.00 H new ATOM 0 HG12 ILE A 31 42.232 13.577 -3.391 1.00 1.00 H new ATOM 0 HG13 ILE A 31 42.742 12.062 -2.673 1.00 1.00 H new ATOM 0 HG21 ILE A 31 42.073 11.447 -0.386 1.00 1.00 H new ATOM 0 HG22 ILE A 31 40.888 12.427 0.511 1.00 1.00 H new ATOM 0 HG23 ILE A 31 40.368 11.471 -0.897 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.048 11.668 -4.441 1.00 1.00 H new ATOM 0 HD12 ILE A 31 40.414 11.178 -2.852 1.00 1.00 H new ATOM 0 HD13 ILE A 31 39.897 12.717 -3.581 1.00 1.00 H new ATOM 446 N PRO A 32 40.966 16.353 -0.858 1.00 1.00 N ATOM 447 CA PRO A 32 41.095 17.535 0.047 1.00 1.00 C ATOM 448 C PRO A 32 39.737 18.134 0.399 1.00 1.00 C ATOM 449 O PRO A 32 39.611 18.883 1.368 1.00 1.00 O ATOM 450 CB PRO A 32 41.942 18.534 -0.751 1.00 1.00 C ATOM 451 CG PRO A 32 42.608 17.736 -1.822 1.00 1.00 C ATOM 452 CD PRO A 32 41.684 16.561 -2.125 1.00 1.00 C ATOM 0 HA PRO A 32 41.547 17.265 1.001 1.00 1.00 H new ATOM 0 HB2 PRO A 32 41.320 19.320 -1.179 1.00 1.00 H new ATOM 0 HB3 PRO A 32 42.678 19.022 -0.112 1.00 1.00 H new ATOM 0 HG2 PRO A 32 42.770 18.342 -2.713 1.00 1.00 H new ATOM 0 HG3 PRO A 32 43.586 17.385 -1.493 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.999 16.789 -2.942 1.00 1.00 H new ATOM 0 HD3 PRO A 32 42.246 15.674 -2.418 1.00 1.00 H new ATOM 460 N ALA A 33 38.724 17.800 -0.395 1.00 1.00 N ATOM 461 CA ALA A 33 37.380 18.311 -0.158 1.00 1.00 C ATOM 462 C ALA A 33 36.512 17.248 0.509 1.00 1.00 C ATOM 463 O ALA A 33 35.940 17.481 1.574 1.00 1.00 O ATOM 464 CB ALA A 33 36.742 18.735 -1.482 1.00 1.00 C ATOM 0 H ALA A 33 38.808 17.182 -1.202 1.00 1.00 H new ATOM 0 HA ALA A 33 37.451 19.174 0.504 1.00 1.00 H new ATOM 0 HB1 ALA A 33 35.738 19.116 -1.296 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.347 19.516 -1.944 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.687 17.876 -2.151 1.00 1.00 H new ATOM 470 N ILE A 34 36.421 16.083 -0.123 1.00 1.00 N ATOM 471 CA ILE A 34 35.621 14.992 0.421 1.00 1.00 C ATOM 472 C ILE A 34 36.053 14.669 1.848 1.00 1.00 C ATOM 473 O ILE A 34 35.408 15.083 2.812 1.00 1.00 O ATOM 474 CB ILE A 34 35.772 13.746 -0.453 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.982 13.935 -1.751 1.00 1.00 C ATOM 476 CG2 ILE A 34 35.234 12.527 0.299 1.00 1.00 C ATOM 477 CD1 ILE A 34 35.371 12.845 -2.750 1.00 1.00 C ATOM 0 H ILE A 34 36.887 15.871 -1.005 1.00 1.00 H new ATOM 0 HA ILE A 34 34.577 15.304 0.431 1.00 1.00 H new ATOM 0 HB ILE A 34 36.825 13.592 -0.688 1.00 1.00 H new ATOM 0 HG12 ILE A 34 33.912 13.891 -1.547 1.00 1.00 H new ATOM 0 HG13 ILE A 34 35.186 14.919 -2.173 1.00 1.00 H new ATOM 0 HG21 ILE A 34 35.341 11.639 -0.324 1.00 1.00 H new ATOM 0 HG22 ILE A 34 35.796 12.392 1.223 1.00 1.00 H new ATOM 0 HG23 ILE A 34 34.181 12.680 0.534 1.00 1.00 H new ATOM 0 HD11 ILE A 34 34.808 12.980 -3.674 1.00 1.00 H new ATOM 0 HD12 ILE A 34 36.438 12.910 -2.962 1.00 1.00 H new ATOM 0 HD13 ILE A 34 35.144 11.866 -2.327 1.00 1.00 H new ATOM 489 N TYR A 35 37.150 13.930 1.975 1.00 1.00 N ATOM 490 CA TYR A 35 37.662 13.556 3.288 1.00 1.00 C ATOM 491 C TYR A 35 37.572 14.734 4.254 1.00 1.00 C ATOM 492 O TYR A 35 37.161 14.576 5.403 1.00 1.00 O ATOM 493 CB TYR A 35 39.118 13.101 3.169 1.00 1.00 C ATOM 494 CG TYR A 35 39.613 12.637 4.517 1.00 1.00 C ATOM 495 CD1 TYR A 35 39.261 11.368 4.994 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.426 13.475 5.291 1.00 1.00 C ATOM 497 CE1 TYR A 35 39.721 10.937 6.244 1.00 1.00 C ATOM 498 CE2 TYR A 35 40.886 13.044 6.542 1.00 1.00 C ATOM 499 CZ TYR A 35 40.533 11.775 7.018 1.00 1.00 C ATOM 500 OH TYR A 35 40.986 11.350 8.250 1.00 1.00 O ATOM 0 H TYR A 35 37.699 13.580 1.190 1.00 1.00 H new ATOM 0 HA TYR A 35 37.055 12.737 3.675 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.199 12.293 2.442 1.00 1.00 H new ATOM 0 HB3 TYR A 35 39.737 13.921 2.805 1.00 1.00 H new ATOM 0 HD1 TYR A 35 38.634 10.722 4.397 1.00 1.00 H new ATOM 0 HD2 TYR A 35 40.698 14.453 4.923 1.00 1.00 H new ATOM 0 HE1 TYR A 35 39.450 9.958 6.611 1.00 1.00 H new ATOM 0 HE2 TYR A 35 41.513 13.690 7.139 1.00 1.00 H new ATOM 0 HH TYR A 35 41.854 11.764 8.440 1.00 1.00 H new ATOM 510 N MET A 36 37.961 15.913 3.779 1.00 1.00 N ATOM 511 CA MET A 36 37.920 17.110 4.611 1.00 1.00 C ATOM 512 C MET A 36 36.541 17.281 5.241 1.00 1.00 C ATOM 513 O MET A 36 36.397 17.238 6.462 1.00 1.00 O ATOM 514 CB MET A 36 38.256 18.342 3.767 1.00 1.00 C ATOM 515 CG MET A 36 37.704 19.597 4.447 1.00 1.00 C ATOM 516 SD MET A 36 38.574 21.055 3.819 1.00 1.00 S ATOM 517 CE MET A 36 39.698 21.269 5.220 1.00 1.00 C ATOM 0 H MET A 36 38.305 16.065 2.831 1.00 1.00 H new ATOM 0 HA MET A 36 38.657 17.002 5.407 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.336 18.428 3.644 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.829 18.239 2.769 1.00 1.00 H new ATOM 0 HG2 MET A 36 36.635 19.687 4.255 1.00 1.00 H new ATOM 0 HG3 MET A 36 37.829 19.523 5.527 1.00 1.00 H new ATOM 0 HE1 MET A 36 40.341 22.131 5.042 1.00 1.00 H new ATOM 0 HE2 MET A 36 39.119 21.430 6.130 1.00 1.00 H new ATOM 0 HE3 MET A 36 40.312 20.375 5.334 1.00 1.00 H new ATOM 527 N LEU A 37 35.531 17.477 4.400 1.00 1.00 N ATOM 528 CA LEU A 37 34.168 17.655 4.888 1.00 1.00 C ATOM 529 C LEU A 37 33.831 16.601 5.938 1.00 1.00 C ATOM 530 O LEU A 37 33.216 16.904 6.959 1.00 1.00 O ATOM 531 CB LEU A 37 33.179 17.555 3.724 1.00 1.00 C ATOM 532 CG LEU A 37 33.445 18.684 2.727 1.00 1.00 C ATOM 533 CD1 LEU A 37 33.051 18.228 1.322 1.00 1.00 C ATOM 534 CD2 LEU A 37 32.618 19.912 3.113 1.00 1.00 C ATOM 0 H LEU A 37 35.629 17.516 3.385 1.00 1.00 H new ATOM 0 HA LEU A 37 34.092 18.642 5.345 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.280 16.589 3.230 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.156 17.618 4.096 1.00 1.00 H new ATOM 0 HG LEU A 37 34.505 18.939 2.743 1.00 1.00 H new ATOM 0 HD11 LEU A 37 33.241 19.033 0.612 1.00 1.00 H new ATOM 0 HD12 LEU A 37 33.639 17.353 1.045 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.992 17.972 1.306 1.00 1.00 H new ATOM 0 HD21 LEU A 37 32.808 20.716 2.402 1.00 1.00 H new ATOM 0 HD22 LEU A 37 31.558 19.657 3.098 1.00 1.00 H new ATOM 0 HD23 LEU A 37 32.898 20.239 4.114 1.00 1.00 H new ATOM 546 N VAL A 38 34.237 15.363 5.678 1.00 1.00 N ATOM 547 CA VAL A 38 33.972 14.272 6.610 1.00 1.00 C ATOM 548 C VAL A 38 35.065 14.193 7.671 1.00 1.00 C ATOM 549 O VAL A 38 35.280 13.143 8.275 1.00 1.00 O ATOM 550 CB VAL A 38 33.896 12.945 5.853 1.00 1.00 C ATOM 551 CG1 VAL A 38 33.137 11.918 6.695 1.00 1.00 C ATOM 552 CG2 VAL A 38 33.162 13.157 4.526 1.00 1.00 C ATOM 0 H VAL A 38 34.747 15.091 4.837 1.00 1.00 H new ATOM 0 HA VAL A 38 33.019 14.465 7.102 1.00 1.00 H new ATOM 0 HB VAL A 38 34.905 12.581 5.658 1.00 1.00 H new ATOM 0 HG11 VAL A 38 33.083 10.973 6.155 1.00 1.00 H new ATOM 0 HG12 VAL A 38 33.658 11.766 7.641 1.00 1.00 H new ATOM 0 HG13 VAL A 38 32.128 12.282 6.891 1.00 1.00 H new ATOM 0 HG21 VAL A 38 33.107 12.212 3.986 1.00 1.00 H new ATOM 0 HG22 VAL A 38 32.154 13.522 4.722 1.00 1.00 H new ATOM 0 HG23 VAL A 38 33.702 13.888 3.924 1.00 1.00 H new ATOM 562 N PHE A 39 35.749 15.313 7.890 1.00 1.00 N ATOM 563 CA PHE A 39 36.820 15.365 8.882 1.00 1.00 C ATOM 564 C PHE A 39 36.385 16.181 10.095 1.00 1.00 C ATOM 565 O PHE A 39 36.779 15.890 11.224 1.00 1.00 O ATOM 566 CB PHE A 39 38.071 15.992 8.266 1.00 1.00 C ATOM 567 CG PHE A 39 39.275 15.649 9.111 1.00 1.00 C ATOM 568 CD1 PHE A 39 39.766 14.339 9.127 1.00 1.00 C ATOM 569 CD2 PHE A 39 39.900 16.641 9.876 1.00 1.00 C ATOM 570 CE1 PHE A 39 40.882 14.020 9.910 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.016 16.322 10.659 1.00 1.00 C ATOM 572 CZ PHE A 39 41.507 15.011 10.676 1.00 1.00 C ATOM 0 H PHE A 39 35.583 16.191 7.398 1.00 1.00 H new ATOM 0 HA PHE A 39 37.044 14.348 9.203 1.00 1.00 H new ATOM 0 HB2 PHE A 39 38.211 15.626 7.249 1.00 1.00 H new ATOM 0 HB3 PHE A 39 37.955 17.074 8.202 1.00 1.00 H new ATOM 0 HD1 PHE A 39 39.284 13.574 8.536 1.00 1.00 H new ATOM 0 HD2 PHE A 39 39.521 17.652 9.862 1.00 1.00 H new ATOM 0 HE1 PHE A 39 41.261 13.009 9.923 1.00 1.00 H new ATOM 0 HE2 PHE A 39 41.498 17.087 11.250 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.368 14.764 11.280 1.00 1.00 H new ATOM 582 N LEU A 40 35.572 17.204 9.853 1.00 1.00 N ATOM 583 CA LEU A 40 35.090 18.056 10.933 1.00 1.00 C ATOM 584 C LEU A 40 33.887 17.420 11.622 1.00 1.00 C ATOM 585 O LEU A 40 33.477 17.851 12.699 1.00 1.00 O ATOM 586 CB LEU A 40 34.697 19.428 10.381 1.00 1.00 C ATOM 587 CG LEU A 40 35.667 19.829 9.269 1.00 1.00 C ATOM 588 CD1 LEU A 40 35.361 21.257 8.814 1.00 1.00 C ATOM 589 CD2 LEU A 40 37.102 19.761 9.797 1.00 1.00 C ATOM 0 H LEU A 40 35.235 17.462 8.925 1.00 1.00 H new ATOM 0 HA LEU A 40 35.892 18.174 11.662 1.00 1.00 H new ATOM 0 HB2 LEU A 40 33.678 19.398 9.995 1.00 1.00 H new ATOM 0 HB3 LEU A 40 34.714 20.171 11.178 1.00 1.00 H new ATOM 0 HG LEU A 40 35.555 19.147 8.426 1.00 1.00 H new ATOM 0 HD11 LEU A 40 36.053 21.542 8.021 1.00 1.00 H new ATOM 0 HD12 LEU A 40 34.339 21.308 8.439 1.00 1.00 H new ATOM 0 HD13 LEU A 40 35.473 21.939 9.657 1.00 1.00 H new ATOM 0 HD21 LEU A 40 37.795 20.047 9.005 1.00 1.00 H new ATOM 0 HD22 LEU A 40 37.212 20.444 10.640 1.00 1.00 H new ATOM 0 HD23 LEU A 40 37.322 18.744 10.122 1.00 1.00 H new ATOM 601 N LEU A 41 33.328 16.390 10.993 1.00 1.00 N ATOM 602 CA LEU A 41 32.172 15.698 11.552 1.00 1.00 C ATOM 603 C LEU A 41 32.348 14.187 11.446 1.00 1.00 C ATOM 604 O LEU A 41 31.379 13.433 11.540 1.00 1.00 O ATOM 605 CB LEU A 41 30.902 16.119 10.810 1.00 1.00 C ATOM 606 CG LEU A 41 30.739 17.638 10.895 1.00 1.00 C ATOM 607 CD1 LEU A 41 31.189 18.274 9.579 1.00 1.00 C ATOM 608 CD2 LEU A 41 29.269 17.978 11.148 1.00 1.00 C ATOM 0 H LEU A 41 33.655 16.018 10.101 1.00 1.00 H new ATOM 0 HA LEU A 41 32.085 15.969 12.604 1.00 1.00 H new ATOM 0 HB2 LEU A 41 30.957 15.807 9.767 1.00 1.00 H new ATOM 0 HB3 LEU A 41 30.033 15.625 11.245 1.00 1.00 H new ATOM 0 HG LEU A 41 31.349 18.024 11.712 1.00 1.00 H new ATOM 0 HD11 LEU A 41 31.073 19.356 9.639 1.00 1.00 H new ATOM 0 HD12 LEU A 41 32.236 18.031 9.397 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.579 17.889 8.762 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.151 19.060 11.209 1.00 1.00 H new ATOM 0 HD22 LEU A 41 28.660 17.592 10.330 1.00 1.00 H new ATOM 0 HD23 LEU A 41 28.947 17.525 12.085 1.00 1.00 H new ATOM 620 N GLY A 42 33.591 13.754 11.248 1.00 1.00 N ATOM 621 CA GLY A 42 33.891 12.330 11.129 1.00 1.00 C ATOM 622 C GLY A 42 34.974 11.916 12.119 1.00 1.00 C ATOM 623 O GLY A 42 35.177 10.728 12.370 1.00 1.00 O ATOM 0 H GLY A 42 34.403 14.366 11.167 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.987 11.748 11.309 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.217 12.107 10.113 1.00 1.00 H new ATOM 627 N THR A 43 35.667 12.902 12.679 1.00 1.00 N ATOM 628 CA THR A 43 36.728 12.628 13.641 1.00 1.00 C ATOM 629 C THR A 43 36.734 13.679 14.746 1.00 1.00 C ATOM 630 O THR A 43 36.558 13.360 15.922 1.00 1.00 O ATOM 631 CB THR A 43 38.085 12.617 12.936 1.00 1.00 C ATOM 632 OG1 THR A 43 38.120 13.658 11.967 1.00 1.00 O ATOM 633 CG2 THR A 43 38.294 11.269 12.246 1.00 1.00 C ATOM 0 H THR A 43 35.514 13.892 12.485 1.00 1.00 H new ATOM 0 HA THR A 43 36.544 11.650 14.086 1.00 1.00 H new ATOM 0 HB THR A 43 38.877 12.773 13.668 1.00 1.00 H new ATOM 0 HG1 THR A 43 38.900 13.538 11.385 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.262 11.263 11.744 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.266 10.472 12.989 1.00 1.00 H new ATOM 0 HG23 THR A 43 37.504 11.109 11.512 1.00 1.00 H new ATOM 641 N THR A 44 36.937 14.935 14.359 1.00 1.00 N ATOM 642 CA THR A 44 36.964 16.026 15.326 1.00 1.00 C ATOM 643 C THR A 44 35.824 15.882 16.329 1.00 1.00 C ATOM 644 O THR A 44 35.916 16.358 17.461 1.00 1.00 O ATOM 645 CB THR A 44 36.842 17.369 14.602 1.00 1.00 C ATOM 646 OG1 THR A 44 38.101 17.719 14.043 1.00 1.00 O ATOM 647 CG2 THR A 44 36.403 18.448 15.592 1.00 1.00 C ATOM 0 H THR A 44 37.084 15.220 13.391 1.00 1.00 H new ATOM 0 HA THR A 44 37.912 15.987 15.863 1.00 1.00 H new ATOM 0 HB THR A 44 36.101 17.287 13.807 1.00 1.00 H new ATOM 0 HG1 THR A 44 38.025 18.578 13.577 1.00 1.00 H new ATOM 0 HG21 THR A 44 36.317 19.403 15.074 1.00 1.00 H new ATOM 0 HG22 THR A 44 35.437 18.178 16.019 1.00 1.00 H new ATOM 0 HG23 THR A 44 37.142 18.533 16.389 1.00 1.00 H new ATOM 655 N GLY A 45 34.751 15.222 15.906 1.00 1.00 N ATOM 656 CA GLY A 45 33.598 15.020 16.777 1.00 1.00 C ATOM 657 C GLY A 45 33.931 14.052 17.906 1.00 1.00 C ATOM 658 O GLY A 45 33.656 14.328 19.075 1.00 1.00 O ATOM 0 H GLY A 45 34.655 14.821 14.973 1.00 1.00 H new ATOM 0 HA2 GLY A 45 33.281 15.976 17.194 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.762 14.632 16.195 1.00 1.00 H new ATOM 662 N ASN A 46 34.527 12.918 17.552 1.00 1.00 N ATOM 663 CA ASN A 46 34.894 11.916 18.545 1.00 1.00 C ATOM 664 C ASN A 46 33.773 11.734 19.564 1.00 1.00 C ATOM 665 O ASN A 46 33.999 11.240 20.668 1.00 1.00 O ATOM 666 CB ASN A 46 36.175 12.340 19.264 1.00 1.00 C ATOM 667 CG ASN A 46 37.130 11.155 19.370 1.00 1.00 C ATOM 668 OD1 ASN A 46 36.921 10.260 20.188 1.00 1.00 O ATOM 669 ND2 ASN A 46 38.172 11.096 18.586 1.00 1.00 N ATOM 0 H ASN A 46 34.765 12.671 16.591 1.00 1.00 H new ATOM 0 HA ASN A 46 35.061 10.968 18.033 1.00 1.00 H new ATOM 0 HB2 ASN A 46 36.653 13.156 18.722 1.00 1.00 H new ATOM 0 HB3 ASN A 46 35.936 12.715 20.259 1.00 1.00 H new ATOM 0 HD21 ASN A 46 38.815 10.307 18.651 1.00 1.00 H new ATOM 0 HD22 ASN A 46 38.343 11.839 17.909 1.00 1.00 H new ATOM 676 N GLY A 47 32.564 12.136 19.185 1.00 1.00 N ATOM 677 CA GLY A 47 31.416 12.012 20.074 1.00 1.00 C ATOM 678 C GLY A 47 30.462 13.190 19.906 1.00 1.00 C ATOM 679 O GLY A 47 29.846 13.643 20.870 1.00 1.00 O ATOM 0 H GLY A 47 32.355 12.547 18.275 1.00 1.00 H new ATOM 0 HA2 GLY A 47 30.889 11.081 19.865 1.00 1.00 H new ATOM 0 HA3 GLY A 47 31.757 11.961 21.108 1.00 1.00 H new ATOM 683 N LEU A 48 30.346 13.680 18.674 1.00 1.00 N ATOM 684 CA LEU A 48 29.464 14.806 18.384 1.00 1.00 C ATOM 685 C LEU A 48 28.574 14.491 17.187 1.00 1.00 C ATOM 686 O LEU A 48 27.418 14.913 17.132 1.00 1.00 O ATOM 687 CB LEU A 48 30.294 16.058 18.087 1.00 1.00 C ATOM 688 CG LEU A 48 31.127 16.435 19.318 1.00 1.00 C ATOM 689 CD1 LEU A 48 32.034 17.618 18.975 1.00 1.00 C ATOM 690 CD2 LEU A 48 30.204 16.826 20.480 1.00 1.00 C ATOM 0 H LEU A 48 30.849 13.317 17.865 1.00 1.00 H new ATOM 0 HA LEU A 48 28.835 14.985 19.256 1.00 1.00 H new ATOM 0 HB2 LEU A 48 30.949 15.877 17.235 1.00 1.00 H new ATOM 0 HB3 LEU A 48 29.637 16.884 17.814 1.00 1.00 H new ATOM 0 HG LEU A 48 31.732 15.578 19.614 1.00 1.00 H new ATOM 0 HD11 LEU A 48 32.627 17.887 19.849 1.00 1.00 H new ATOM 0 HD12 LEU A 48 32.699 17.341 18.157 1.00 1.00 H new ATOM 0 HD13 LEU A 48 31.423 18.469 18.674 1.00 1.00 H new ATOM 0 HD21 LEU A 48 30.806 17.092 21.349 1.00 1.00 H new ATOM 0 HD22 LEU A 48 29.592 17.679 20.187 1.00 1.00 H new ATOM 0 HD23 LEU A 48 29.557 15.985 20.730 1.00 1.00 H new ATOM 702 N VAL A 49 29.118 13.744 16.232 1.00 1.00 N ATOM 703 CA VAL A 49 28.362 13.375 15.041 1.00 1.00 C ATOM 704 C VAL A 49 27.579 12.088 15.282 1.00 1.00 C ATOM 705 O VAL A 49 26.811 11.649 14.426 1.00 1.00 O ATOM 706 CB VAL A 49 29.313 13.182 13.858 1.00 1.00 C ATOM 707 CG1 VAL A 49 30.321 12.079 14.187 1.00 1.00 C ATOM 708 CG2 VAL A 49 28.509 12.784 12.618 1.00 1.00 C ATOM 0 H VAL A 49 30.072 13.385 16.259 1.00 1.00 H new ATOM 0 HA VAL A 49 27.660 14.178 14.815 1.00 1.00 H new ATOM 0 HB VAL A 49 29.845 14.113 13.664 1.00 1.00 H new ATOM 0 HG11 VAL A 49 30.998 11.942 13.344 1.00 1.00 H new ATOM 0 HG12 VAL A 49 30.894 12.361 15.070 1.00 1.00 H new ATOM 0 HG13 VAL A 49 29.790 11.147 14.381 1.00 1.00 H new ATOM 0 HG21 VAL A 49 29.185 12.646 11.775 1.00 1.00 H new ATOM 0 HG22 VAL A 49 27.977 11.853 12.813 1.00 1.00 H new ATOM 0 HG23 VAL A 49 27.791 13.569 12.383 1.00 1.00 H new ATOM 718 N LEU A 50 27.784 11.491 16.453 1.00 1.00 N ATOM 719 CA LEU A 50 27.095 10.252 16.802 1.00 1.00 C ATOM 720 C LEU A 50 26.491 10.350 18.200 1.00 1.00 C ATOM 721 O LEU A 50 25.813 9.432 18.659 1.00 1.00 O ATOM 722 CB LEU A 50 28.075 9.079 16.750 1.00 1.00 C ATOM 723 CG LEU A 50 29.158 9.272 17.813 1.00 1.00 C ATOM 724 CD1 LEU A 50 28.940 8.275 18.952 1.00 1.00 C ATOM 725 CD2 LEU A 50 30.534 9.037 17.186 1.00 1.00 C ATOM 0 H LEU A 50 28.417 11.842 17.172 1.00 1.00 H new ATOM 0 HA LEU A 50 26.293 10.089 16.082 1.00 1.00 H new ATOM 0 HB2 LEU A 50 27.546 8.141 16.921 1.00 1.00 H new ATOM 0 HB3 LEU A 50 28.529 9.014 15.761 1.00 1.00 H new ATOM 0 HG LEU A 50 29.105 10.288 18.205 1.00 1.00 H new ATOM 0 HD11 LEU A 50 29.712 8.413 19.709 1.00 1.00 H new ATOM 0 HD12 LEU A 50 27.960 8.442 19.399 1.00 1.00 H new ATOM 0 HD13 LEU A 50 28.993 7.259 18.561 1.00 1.00 H new ATOM 0 HD21 LEU A 50 31.307 9.174 17.942 1.00 1.00 H new ATOM 0 HD22 LEU A 50 30.586 8.021 16.794 1.00 1.00 H new ATOM 0 HD23 LEU A 50 30.690 9.748 16.375 1.00 1.00 H new ATOM 737 N TRP A 51 26.741 11.470 18.871 1.00 1.00 N ATOM 738 CA TRP A 51 26.216 11.676 20.216 1.00 1.00 C ATOM 739 C TRP A 51 24.808 12.257 20.157 1.00 1.00 C ATOM 740 O TRP A 51 23.827 11.559 20.409 1.00 1.00 O ATOM 741 CB TRP A 51 27.131 12.624 20.994 1.00 1.00 C ATOM 742 CG TRP A 51 26.334 13.340 22.038 1.00 1.00 C ATOM 743 CD1 TRP A 51 25.733 12.750 23.097 1.00 1.00 C ATOM 744 CD2 TRP A 51 26.043 14.764 22.143 1.00 1.00 C ATOM 745 NE1 TRP A 51 25.091 13.720 23.844 1.00 1.00 N ATOM 746 CE2 TRP A 51 25.253 14.977 23.298 1.00 1.00 C ATOM 747 CE3 TRP A 51 26.384 15.879 21.357 1.00 1.00 C ATOM 748 CZ2 TRP A 51 24.817 16.253 23.659 1.00 1.00 C ATOM 749 CZ3 TRP A 51 25.947 17.164 21.718 1.00 1.00 C ATOM 750 CH2 TRP A 51 25.165 17.350 22.867 1.00 1.00 C ATOM 0 H TRP A 51 27.299 12.243 18.509 1.00 1.00 H new ATOM 0 HA TRP A 51 26.178 10.712 20.723 1.00 1.00 H new ATOM 0 HB2 TRP A 51 27.941 12.064 21.460 1.00 1.00 H new ATOM 0 HB3 TRP A 51 27.590 13.343 20.315 1.00 1.00 H new ATOM 0 HD1 TRP A 51 25.752 11.694 23.322 1.00 1.00 H new ATOM 0 HE1 TRP A 51 24.562 13.530 24.695 1.00 1.00 H new ATOM 0 HE3 TRP A 51 26.986 15.746 20.470 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 24.215 16.391 24.545 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 26.215 18.014 21.107 1.00 1.00 H new ATOM 0 HH2 TRP A 51 24.832 18.341 23.139 1.00 1.00 H new ATOM 761 N THR A 52 24.716 13.541 19.824 1.00 1.00 N ATOM 762 CA THR A 52 23.422 14.206 19.734 1.00 1.00 C ATOM 763 C THR A 52 22.426 13.338 18.972 1.00 1.00 C ATOM 764 O THR A 52 21.286 13.161 19.402 1.00 1.00 O ATOM 765 CB THR A 52 23.575 15.553 19.024 1.00 1.00 C ATOM 766 OG1 THR A 52 22.371 15.863 18.337 1.00 1.00 O ATOM 767 CG2 THR A 52 24.731 15.480 18.027 1.00 1.00 C ATOM 0 H THR A 52 25.516 14.137 19.614 1.00 1.00 H new ATOM 0 HA THR A 52 23.047 14.369 20.744 1.00 1.00 H new ATOM 0 HB THR A 52 23.784 16.330 19.760 1.00 1.00 H new ATOM 0 HG1 THR A 52 22.466 16.726 17.883 1.00 1.00 H new ATOM 0 HG21 THR A 52 24.838 16.440 17.523 1.00 1.00 H new ATOM 0 HG22 THR A 52 25.654 15.244 18.557 1.00 1.00 H new ATOM 0 HG23 THR A 52 24.527 14.704 17.289 1.00 1.00 H new ATOM 775 N VAL A 53 22.865 12.798 17.840 1.00 1.00 N ATOM 776 CA VAL A 53 22.006 11.949 17.025 1.00 1.00 C ATOM 777 C VAL A 53 21.346 10.873 17.882 1.00 1.00 C ATOM 778 O VAL A 53 20.203 10.486 17.639 1.00 1.00 O ATOM 779 CB VAL A 53 22.825 11.288 15.916 1.00 1.00 C ATOM 780 CG1 VAL A 53 21.992 10.193 15.249 1.00 1.00 C ATOM 781 CG2 VAL A 53 23.212 12.339 14.873 1.00 1.00 C ATOM 0 H VAL A 53 23.805 12.932 17.468 1.00 1.00 H new ATOM 0 HA VAL A 53 21.229 12.571 16.581 1.00 1.00 H new ATOM 0 HB VAL A 53 23.727 10.849 16.343 1.00 1.00 H new ATOM 0 HG11 VAL A 53 22.576 9.722 14.458 1.00 1.00 H new ATOM 0 HG12 VAL A 53 21.715 9.444 15.991 1.00 1.00 H new ATOM 0 HG13 VAL A 53 21.090 10.631 14.822 1.00 1.00 H new ATOM 0 HG21 VAL A 53 23.796 11.869 14.082 1.00 1.00 H new ATOM 0 HG22 VAL A 53 22.310 12.778 14.446 1.00 1.00 H new ATOM 0 HG23 VAL A 53 23.806 13.120 15.347 1.00 1.00 H new ATOM 791 N PHE A 54 22.073 10.395 18.886 1.00 1.00 N ATOM 792 CA PHE A 54 21.549 9.362 19.773 1.00 1.00 C ATOM 793 C PHE A 54 20.407 9.914 20.621 1.00 1.00 C ATOM 794 O PHE A 54 19.572 9.161 21.121 1.00 1.00 O ATOM 795 CB PHE A 54 22.661 8.844 20.686 1.00 1.00 C ATOM 796 CG PHE A 54 22.327 7.444 21.141 1.00 1.00 C ATOM 797 CD1 PHE A 54 21.564 7.247 22.298 1.00 1.00 C ATOM 798 CD2 PHE A 54 22.780 6.342 20.405 1.00 1.00 C ATOM 799 CE1 PHE A 54 21.255 5.948 22.720 1.00 1.00 C ATOM 800 CE2 PHE A 54 22.471 5.043 20.827 1.00 1.00 C ATOM 801 CZ PHE A 54 21.708 4.846 21.984 1.00 1.00 C ATOM 0 H PHE A 54 23.020 10.703 19.105 1.00 1.00 H new ATOM 0 HA PHE A 54 21.170 8.542 19.162 1.00 1.00 H new ATOM 0 HB2 PHE A 54 23.613 8.848 20.156 1.00 1.00 H new ATOM 0 HB3 PHE A 54 22.774 9.501 21.548 1.00 1.00 H new ATOM 0 HD1 PHE A 54 21.214 8.097 22.865 1.00 1.00 H new ATOM 0 HD2 PHE A 54 23.368 6.494 19.512 1.00 1.00 H new ATOM 0 HE1 PHE A 54 20.667 5.796 23.613 1.00 1.00 H new ATOM 0 HE2 PHE A 54 22.821 4.193 20.260 1.00 1.00 H new ATOM 0 HZ PHE A 54 21.469 3.844 22.309 1.00 1.00 H new ATOM 811 N ARG A 55 20.378 11.234 20.779 1.00 1.00 N ATOM 812 CA ARG A 55 19.334 11.875 21.570 1.00 1.00 C ATOM 813 C ARG A 55 18.241 12.432 20.663 1.00 1.00 C ATOM 814 O ARG A 55 17.055 12.355 20.985 1.00 1.00 O ATOM 815 CB ARG A 55 19.932 13.008 22.406 1.00 1.00 C ATOM 816 CG ARG A 55 20.797 12.416 23.522 1.00 1.00 C ATOM 817 CD ARG A 55 22.141 13.144 23.566 1.00 1.00 C ATOM 818 NE ARG A 55 22.871 12.782 24.776 1.00 1.00 N ATOM 819 CZ ARG A 55 23.418 11.579 24.915 1.00 1.00 C ATOM 820 NH1 ARG A 55 23.307 10.698 23.960 1.00 1.00 N ATOM 821 NH2 ARG A 55 24.067 11.280 26.007 1.00 1.00 N ATOM 0 H ARG A 55 21.059 11.876 20.373 1.00 1.00 H new ATOM 0 HA ARG A 55 18.896 11.128 22.232 1.00 1.00 H new ATOM 0 HB2 ARG A 55 20.532 13.663 21.774 1.00 1.00 H new ATOM 0 HB3 ARG A 55 19.136 13.619 22.833 1.00 1.00 H new ATOM 0 HG2 ARG A 55 20.288 12.512 24.481 1.00 1.00 H new ATOM 0 HG3 ARG A 55 20.954 11.351 23.349 1.00 1.00 H new ATOM 0 HD2 ARG A 55 22.731 12.887 22.686 1.00 1.00 H new ATOM 0 HD3 ARG A 55 21.980 14.222 23.538 1.00 1.00 H new ATOM 0 HE ARG A 55 22.963 13.464 25.529 1.00 1.00 H new ATOM 0 HH11 ARG A 55 22.800 10.932 23.106 1.00 1.00 H new ATOM 0 HH12 ARG A 55 23.727 9.775 24.067 1.00 1.00 H new ATOM 0 HH21 ARG A 55 24.154 11.970 26.753 1.00 1.00 H new ATOM 0 HH22 ARG A 55 24.487 10.357 26.114 1.00 1.00 H new ATOM 835 N LYS A 56 18.648 12.993 19.530 1.00 1.00 N ATOM 836 CA LYS A 56 17.694 13.560 18.583 1.00 1.00 C ATOM 837 C LYS A 56 16.770 12.476 18.040 1.00 1.00 C ATOM 838 O LYS A 56 15.606 12.736 17.737 1.00 1.00 O ATOM 839 CB LYS A 56 18.440 14.226 17.425 1.00 1.00 C ATOM 840 CG LYS A 56 19.308 15.365 17.964 1.00 1.00 C ATOM 841 CD LYS A 56 18.562 16.693 17.809 1.00 1.00 C ATOM 842 CE LYS A 56 19.319 17.795 18.550 1.00 1.00 C ATOM 843 NZ LYS A 56 18.800 19.126 18.127 1.00 1.00 N ATOM 0 H LYS A 56 19.625 13.067 19.246 1.00 1.00 H new ATOM 0 HA LYS A 56 17.093 14.306 19.104 1.00 1.00 H new ATOM 0 HB2 LYS A 56 19.062 13.494 16.910 1.00 1.00 H new ATOM 0 HB3 LYS A 56 17.729 14.611 16.694 1.00 1.00 H new ATOM 0 HG2 LYS A 56 19.546 15.190 19.013 1.00 1.00 H new ATOM 0 HG3 LYS A 56 20.254 15.402 17.424 1.00 1.00 H new ATOM 0 HD2 LYS A 56 18.469 16.948 16.753 1.00 1.00 H new ATOM 0 HD3 LYS A 56 17.551 16.602 18.206 1.00 1.00 H new ATOM 0 HE2 LYS A 56 19.200 17.672 19.626 1.00 1.00 H new ATOM 0 HE3 LYS A 56 20.386 17.724 18.337 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 19.315 19.876 18.631 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 18.935 19.242 17.102 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 17.787 19.191 18.352 1.00 1.00 H new ATOM 857 N LYS A 57 17.296 11.262 17.918 1.00 1.00 N ATOM 858 CA LYS A 57 16.510 10.146 17.410 1.00 1.00 C ATOM 859 C LYS A 57 15.373 9.809 18.368 1.00 1.00 C ATOM 860 O LYS A 57 15.377 8.756 19.005 1.00 1.00 O ATOM 861 CB LYS A 57 17.405 8.919 17.225 1.00 1.00 C ATOM 862 CG LYS A 57 16.638 7.838 16.460 1.00 1.00 C ATOM 863 CD LYS A 57 17.243 7.674 15.064 1.00 1.00 C ATOM 864 CE LYS A 57 18.626 7.029 15.177 1.00 1.00 C ATOM 865 NZ LYS A 57 19.617 7.844 14.418 1.00 1.00 N ATOM 0 H LYS A 57 18.258 11.027 18.163 1.00 1.00 H new ATOM 0 HA LYS A 57 16.085 10.434 16.449 1.00 1.00 H new ATOM 0 HB2 LYS A 57 18.308 9.193 16.680 1.00 1.00 H new ATOM 0 HB3 LYS A 57 17.722 8.537 18.196 1.00 1.00 H new ATOM 0 HG2 LYS A 57 16.684 6.893 17.001 1.00 1.00 H new ATOM 0 HG3 LYS A 57 15.585 8.110 16.382 1.00 1.00 H new ATOM 0 HD2 LYS A 57 16.592 7.057 14.445 1.00 1.00 H new ATOM 0 HD3 LYS A 57 17.322 8.645 14.574 1.00 1.00 H new ATOM 0 HE2 LYS A 57 18.922 6.959 16.224 1.00 1.00 H new ATOM 0 HE3 LYS A 57 18.598 6.012 14.785 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 20.557 7.406 14.494 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 19.336 7.889 13.418 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 19.650 8.806 14.812 1.00 1.00 H new ATOM 879 N GLY A 58 14.402 10.709 18.464 1.00 1.00 N ATOM 880 CA GLY A 58 13.262 10.498 19.348 1.00 1.00 C ATOM 881 C GLY A 58 12.291 9.484 18.752 1.00 1.00 C ATOM 882 O GLY A 58 11.393 8.994 19.437 1.00 1.00 O ATOM 0 H GLY A 58 14.380 11.586 17.944 1.00 1.00 H new ATOM 0 HA2 GLY A 58 13.610 10.147 20.319 1.00 1.00 H new ATOM 0 HA3 GLY A 58 12.748 11.444 19.517 1.00 1.00 H new ATOM 886 N HIS A 59 12.478 9.174 17.473 1.00 1.00 N ATOM 887 CA HIS A 59 11.612 8.217 16.796 1.00 1.00 C ATOM 888 C HIS A 59 12.063 8.015 15.352 1.00 1.00 C ATOM 889 O HIS A 59 12.838 7.107 15.055 1.00 1.00 O ATOM 890 CB HIS A 59 10.165 8.714 16.816 1.00 1.00 C ATOM 891 CG HIS A 59 10.152 10.211 16.950 1.00 1.00 C ATOM 892 ND1 HIS A 59 11.004 11.183 16.483 1.00 1.00 N flip ATOM 893 CD2 HIS A 59 9.159 10.883 17.646 1.00 1.00 C flip ATOM 894 CE1 HIS A 59 10.548 12.436 16.881 1.00 1.00 C flip ATOM 895 NE2 HIS A 59 9.434 12.198 17.579 1.00 1.00 N flip ATOM 0 H HIS A 59 13.215 9.568 16.889 1.00 1.00 H new ATOM 0 HA HIS A 59 11.675 7.264 17.322 1.00 1.00 H new ATOM 0 HB2 HIS A 59 9.654 8.416 15.901 1.00 1.00 H new ATOM 0 HB3 HIS A 59 9.624 8.259 17.646 1.00 1.00 H new ATOM 0 HD2 HIS A 59 8.317 10.432 18.151 1.00 1.00 H new ATOM 0 HE1 HIS A 59 10.998 13.395 16.671 1.00 1.00 H new ATOM 0 HE2 HIS A 59 8.862 12.925 18.009 1.00 1.00 H new ATOM 903 N HIS A 60 11.570 8.868 14.460 1.00 1.00 N ATOM 904 CA HIS A 60 11.929 8.775 13.049 1.00 1.00 C ATOM 905 C HIS A 60 13.201 9.567 12.766 1.00 1.00 C ATOM 906 O HIS A 60 13.615 10.401 13.570 1.00 1.00 O ATOM 907 CB HIS A 60 10.788 9.311 12.183 1.00 1.00 C ATOM 908 CG HIS A 60 9.919 8.168 11.733 1.00 1.00 C ATOM 909 ND1 HIS A 60 10.438 7.053 11.093 1.00 1.00 N ATOM 910 CD2 HIS A 60 8.567 7.952 11.825 1.00 1.00 C ATOM 911 CE1 HIS A 60 9.411 6.225 10.826 1.00 1.00 C ATOM 912 NE2 HIS A 60 8.248 6.725 11.251 1.00 1.00 N ATOM 0 H HIS A 60 10.926 9.626 14.686 1.00 1.00 H new ATOM 0 HA HIS A 60 12.106 7.727 12.807 1.00 1.00 H new ATOM 0 HB2 HIS A 60 10.196 10.031 12.748 1.00 1.00 H new ATOM 0 HB3 HIS A 60 11.191 9.838 11.318 1.00 1.00 H new ATOM 0 HD2 HIS A 60 7.858 8.631 12.275 1.00 1.00 H new ATOM 0 HE1 HIS A 60 9.515 5.272 10.329 1.00 1.00 H new ATOM 0 HE2 HIS A 60 7.325 6.299 11.172 1.00 1.00 H new ATOM 920 N HIS A 61 13.816 9.301 11.618 1.00 1.00 N ATOM 921 CA HIS A 61 15.040 9.996 11.240 1.00 1.00 C ATOM 922 C HIS A 61 14.718 11.358 10.634 1.00 1.00 C ATOM 923 O HIS A 61 15.274 12.377 11.043 1.00 1.00 O ATOM 924 CB HIS A 61 15.825 9.158 10.228 1.00 1.00 C ATOM 925 CG HIS A 61 16.963 9.973 9.678 1.00 1.00 C ATOM 926 ND1 HIS A 61 17.656 11.043 10.187 1.00 1.00 N flip ATOM 927 CD2 HIS A 61 17.522 9.716 8.435 1.00 1.00 C flip ATOM 928 CE1 HIS A 61 18.631 11.446 9.278 1.00 1.00 C flip ATOM 929 NE2 HIS A 61 18.507 10.613 8.241 1.00 1.00 N flip ATOM 0 H HIS A 61 13.489 8.614 10.938 1.00 1.00 H new ATOM 0 HA HIS A 61 15.643 10.143 12.136 1.00 1.00 H new ATOM 0 HB2 HIS A 61 16.207 8.256 10.705 1.00 1.00 H new ATOM 0 HB3 HIS A 61 15.169 8.837 9.419 1.00 1.00 H new ATOM 0 HD1 HIS A 61 17.483 11.477 11.094 1.00 1.00 H new ATOM 0 HD2 HIS A 61 17.222 8.938 7.748 1.00 1.00 H new ATOM 0 HE1 HIS A 61 19.336 12.257 9.388 1.00 1.00 H new ATOM 937 N HIS A 62 13.817 11.368 9.658 1.00 1.00 N ATOM 938 CA HIS A 62 13.427 12.611 9.002 1.00 1.00 C ATOM 939 C HIS A 62 12.759 13.554 9.997 1.00 1.00 C ATOM 940 O HIS A 62 12.417 13.157 11.110 1.00 1.00 O ATOM 941 CB HIS A 62 12.465 12.315 7.851 1.00 1.00 C ATOM 942 CG HIS A 62 11.116 11.946 8.405 1.00 1.00 C ATOM 943 ND1 HIS A 62 10.252 12.890 8.938 1.00 1.00 N ATOM 944 CD2 HIS A 62 10.470 10.740 8.518 1.00 1.00 C ATOM 945 CE1 HIS A 62 9.144 12.242 9.343 1.00 1.00 C ATOM 946 NE2 HIS A 62 9.225 10.930 9.110 1.00 1.00 N ATOM 0 H HIS A 62 13.345 10.535 9.305 1.00 1.00 H new ATOM 0 HA HIS A 62 14.324 13.090 8.610 1.00 1.00 H new ATOM 0 HB2 HIS A 62 12.377 13.187 7.203 1.00 1.00 H new ATOM 0 HB3 HIS A 62 12.853 11.501 7.239 1.00 1.00 H new ATOM 0 HD2 HIS A 62 10.867 9.789 8.196 1.00 1.00 H new ATOM 0 HE1 HIS A 62 8.293 12.725 9.801 1.00 1.00 H new ATOM 0 HE2 HIS A 62 8.524 10.219 9.321 1.00 1.00 H new ATOM 954 N HIS A 63 12.575 14.805 9.587 1.00 1.00 N ATOM 955 CA HIS A 63 11.946 15.797 10.450 1.00 1.00 C ATOM 956 C HIS A 63 11.728 17.104 9.695 1.00 1.00 C ATOM 957 O HIS A 63 12.371 18.113 9.982 1.00 1.00 O ATOM 958 CB HIS A 63 12.825 16.055 11.676 1.00 1.00 C ATOM 959 CG HIS A 63 12.232 17.169 12.494 1.00 1.00 C ATOM 960 ND1 HIS A 63 11.021 17.035 13.157 1.00 1.00 N ATOM 961 CD2 HIS A 63 12.669 18.441 12.765 1.00 1.00 C ATOM 962 CE1 HIS A 63 10.775 18.197 13.789 1.00 1.00 C ATOM 963 NE2 HIS A 63 11.748 19.090 13.583 1.00 1.00 N ATOM 0 H HIS A 63 12.851 15.154 8.669 1.00 1.00 H new ATOM 0 HA HIS A 63 10.979 15.410 10.771 1.00 1.00 H new ATOM 0 HB2 HIS A 63 12.903 15.150 12.278 1.00 1.00 H new ATOM 0 HB3 HIS A 63 13.836 16.318 11.363 1.00 1.00 H new ATOM 0 HD2 HIS A 63 13.588 18.874 12.399 1.00 1.00 H new ATOM 0 HE1 HIS A 63 9.898 18.385 14.390 1.00 1.00 H new ATOM 0 HE2 HIS A 63 11.804 20.041 13.947 1.00 1.00 H new ATOM 971 N HIS A 64 10.816 17.077 8.729 1.00 1.00 N ATOM 972 CA HIS A 64 10.521 18.266 7.938 1.00 1.00 C ATOM 973 C HIS A 64 10.271 19.466 8.847 1.00 1.00 C ATOM 974 O HIS A 64 9.619 19.289 9.862 1.00 1.00 O ATOM 975 CB HIS A 64 9.289 18.021 7.065 1.00 1.00 C ATOM 976 CG HIS A 64 9.544 16.852 6.154 1.00 1.00 C ATOM 977 ND1 HIS A 64 10.347 15.786 6.528 1.00 1.00 N ATOM 978 CD2 HIS A 64 9.110 16.567 4.883 1.00 1.00 C ATOM 979 CE1 HIS A 64 10.372 14.916 5.500 1.00 1.00 C ATOM 980 NE2 HIS A 64 9.635 15.345 4.472 1.00 1.00 N ATOM 981 OXT HIS A 64 10.735 20.544 8.513 1.00 1.00 O ATOM 0 H HIS A 64 10.272 16.252 8.476 1.00 1.00 H new ATOM 0 HA HIS A 64 11.381 18.478 7.302 1.00 1.00 H new ATOM 0 HB2 HIS A 64 8.419 17.824 7.692 1.00 1.00 H new ATOM 0 HB3 HIS A 64 9.064 18.911 6.478 1.00 1.00 H new ATOM 0 HD2 HIS A 64 8.460 17.195 4.292 1.00 1.00 H new ATOM 0 HE1 HIS A 64 10.921 13.986 5.506 1.00 1.00 H new ATOM 0 HE2 HIS A 64 9.488 14.877 3.577 1.00 1.00 H new TER 989 HIS A 64