USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 HIS : no HE2:sc= -0.148! C(o=0.19!,f=-11!) USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.339 K(o=0.19,f=-8.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.706 X(o=-0.71,f=-1) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc=-0.00298 K(o=-0.003,f=-0.8!) USER MOD Single : A 16 GLN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 17 SER OG : rot -62:sc= 0.0465 USER MOD Single : A 19 CYS SG : rot -31:sc= 1.02 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+ -106:sc= 1.08 (180deg=-0.916) USER MOD Single : A 26 SER OG : rot -36:sc= 1.09 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0296 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 :FLIP amide:sc= -1.82 F(o=-2.7,f=-1.8) USER MOD Single : A 52 THR OG1 : rot 1:sc= -0.428! USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= -3.31! (180deg=-3.38) USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.168) USER MOD Single : A 59 HIS : no HD1:sc= -0.0155 X(o=-0.016,f=0) USER MOD Single : A 60 HIS : no HE2:sc= 0.386 K(o=0.39,f=-1.8!) USER MOD Single : A 63 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-3.5!) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.00078) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 73.605 44.079 8.325 1.00 1.00 N ATOM 2 CA MET A 1 73.241 44.651 6.998 1.00 1.00 C ATOM 3 C MET A 1 74.507 45.106 6.280 1.00 1.00 C ATOM 4 O MET A 1 75.128 46.098 6.663 1.00 1.00 O ATOM 5 CB MET A 1 72.298 45.840 7.199 1.00 1.00 C ATOM 6 CG MET A 1 70.860 45.335 7.321 1.00 1.00 C ATOM 7 SD MET A 1 69.809 46.661 7.966 1.00 1.00 S ATOM 8 CE MET A 1 68.607 45.607 8.812 1.00 1.00 C ATOM 0 H1 MET A 1 72.743 43.768 8.817 1.00 1.00 H new ATOM 0 H2 MET A 1 74.240 43.266 8.190 1.00 1.00 H new ATOM 0 H3 MET A 1 74.087 44.803 8.895 1.00 1.00 H new ATOM 0 HA MET A 1 72.739 43.894 6.395 1.00 1.00 H new ATOM 0 HB2 MET A 1 72.578 46.392 8.096 1.00 1.00 H new ATOM 0 HB3 MET A 1 72.382 46.531 6.360 1.00 1.00 H new ATOM 0 HG2 MET A 1 70.494 45.007 6.348 1.00 1.00 H new ATOM 0 HG3 MET A 1 70.822 44.471 7.984 1.00 1.00 H new ATOM 0 HE1 MET A 1 67.851 46.229 9.290 1.00 1.00 H new ATOM 0 HE2 MET A 1 68.129 44.947 8.088 1.00 1.00 H new ATOM 0 HE3 MET A 1 69.116 45.009 9.568 1.00 1.00 H new ATOM 20 N GLU A 2 74.886 44.374 5.237 1.00 1.00 N ATOM 21 CA GLU A 2 76.080 44.712 4.472 1.00 1.00 C ATOM 22 C GLU A 2 75.926 44.277 3.018 1.00 1.00 C ATOM 23 O GLU A 2 76.845 43.705 2.432 1.00 1.00 O ATOM 24 CB GLU A 2 77.304 44.028 5.085 1.00 1.00 C ATOM 25 CG GLU A 2 78.545 44.888 4.843 1.00 1.00 C ATOM 26 CD GLU A 2 79.805 44.044 5.006 1.00 1.00 C ATOM 27 OE1 GLU A 2 79.963 43.449 6.059 1.00 1.00 O ATOM 28 OE2 GLU A 2 80.592 44.005 4.074 1.00 1.00 O ATOM 0 H GLU A 2 74.387 43.549 4.904 1.00 1.00 H new ATOM 0 HA GLU A 2 76.215 45.793 4.503 1.00 1.00 H new ATOM 0 HB2 GLU A 2 77.154 43.881 6.155 1.00 1.00 H new ATOM 0 HB3 GLU A 2 77.441 43.041 4.644 1.00 1.00 H new ATOM 0 HG2 GLU A 2 78.511 45.316 3.841 1.00 1.00 H new ATOM 0 HG3 GLU A 2 78.562 45.722 5.545 1.00 1.00 H new ATOM 35 N GLU A 3 74.760 44.552 2.443 1.00 1.00 N ATOM 36 CA GLU A 3 74.498 44.184 1.057 1.00 1.00 C ATOM 37 C GLU A 3 75.694 44.529 0.176 1.00 1.00 C ATOM 38 O GLU A 3 76.089 45.690 0.076 1.00 1.00 O ATOM 39 CB GLU A 3 73.257 44.919 0.548 1.00 1.00 C ATOM 40 CG GLU A 3 72.067 43.958 0.523 1.00 1.00 C ATOM 41 CD GLU A 3 70.803 44.704 0.110 1.00 1.00 C ATOM 42 OE1 GLU A 3 70.636 44.937 -1.076 1.00 1.00 O ATOM 43 OE2 GLU A 3 70.020 45.031 0.986 1.00 1.00 O ATOM 0 H GLU A 3 73.987 45.025 2.911 1.00 1.00 H new ATOM 0 HA GLU A 3 74.327 43.108 1.012 1.00 1.00 H new ATOM 0 HB2 GLU A 3 73.036 45.771 1.192 1.00 1.00 H new ATOM 0 HB3 GLU A 3 73.440 45.314 -0.451 1.00 1.00 H new ATOM 0 HG2 GLU A 3 72.262 43.143 -0.174 1.00 1.00 H new ATOM 0 HG3 GLU A 3 71.930 43.510 1.507 1.00 1.00 H new ATOM 50 N GLY A 4 76.265 43.512 -0.462 1.00 1.00 N ATOM 51 CA GLY A 4 77.416 43.719 -1.332 1.00 1.00 C ATOM 52 C GLY A 4 77.943 42.391 -1.864 1.00 1.00 C ATOM 53 O GLY A 4 79.153 42.170 -1.920 1.00 1.00 O ATOM 0 H GLY A 4 75.952 42.544 -0.394 1.00 1.00 H new ATOM 0 HA2 GLY A 4 77.136 44.363 -2.165 1.00 1.00 H new ATOM 0 HA3 GLY A 4 78.204 44.233 -0.782 1.00 1.00 H new ATOM 57 N GLY A 5 77.028 41.509 -2.252 1.00 1.00 N ATOM 58 CA GLY A 5 77.414 40.204 -2.777 1.00 1.00 C ATOM 59 C GLY A 5 77.563 40.250 -4.294 1.00 1.00 C ATOM 60 O GLY A 5 78.370 39.520 -4.869 1.00 1.00 O ATOM 0 H GLY A 5 76.022 41.672 -2.214 1.00 1.00 H new ATOM 0 HA2 GLY A 5 78.354 39.889 -2.325 1.00 1.00 H new ATOM 0 HA3 GLY A 5 76.664 39.461 -2.504 1.00 1.00 H new ATOM 64 N ASP A 6 76.783 41.113 -4.935 1.00 1.00 N ATOM 65 CA ASP A 6 76.838 41.246 -6.386 1.00 1.00 C ATOM 66 C ASP A 6 76.944 39.875 -7.046 1.00 1.00 C ATOM 67 O ASP A 6 77.558 39.730 -8.104 1.00 1.00 O ATOM 68 CB ASP A 6 78.040 42.102 -6.787 1.00 1.00 C ATOM 69 CG ASP A 6 77.741 42.846 -8.084 1.00 1.00 C ATOM 70 OD1 ASP A 6 77.250 42.216 -9.006 1.00 1.00 O ATOM 71 OD2 ASP A 6 78.008 44.035 -8.137 1.00 1.00 O ATOM 0 H ASP A 6 76.110 41.727 -4.477 1.00 1.00 H new ATOM 0 HA ASP A 6 75.921 41.729 -6.723 1.00 1.00 H new ATOM 0 HB2 ASP A 6 78.270 42.814 -5.995 1.00 1.00 H new ATOM 0 HB3 ASP A 6 78.920 41.471 -6.914 1.00 1.00 H new ATOM 76 N PHE A 7 76.344 38.872 -6.415 1.00 1.00 N ATOM 77 CA PHE A 7 76.378 37.515 -6.950 1.00 1.00 C ATOM 78 C PHE A 7 75.372 36.628 -6.225 1.00 1.00 C ATOM 79 O PHE A 7 74.225 36.493 -6.652 1.00 1.00 O ATOM 80 CB PHE A 7 77.782 36.929 -6.798 1.00 1.00 C ATOM 81 CG PHE A 7 77.771 35.478 -7.216 1.00 1.00 C ATOM 82 CD1 PHE A 7 77.715 35.141 -8.574 1.00 1.00 C ATOM 83 CD2 PHE A 7 77.816 34.469 -6.246 1.00 1.00 C ATOM 84 CE1 PHE A 7 77.704 33.797 -8.962 1.00 1.00 C ATOM 85 CE2 PHE A 7 77.806 33.125 -6.634 1.00 1.00 C ATOM 86 CZ PHE A 7 77.749 32.788 -7.991 1.00 1.00 C ATOM 0 H PHE A 7 75.832 38.971 -5.539 1.00 1.00 H new ATOM 0 HA PHE A 7 76.114 37.554 -8.007 1.00 1.00 H new ATOM 0 HB2 PHE A 7 78.489 37.489 -7.410 1.00 1.00 H new ATOM 0 HB3 PHE A 7 78.115 37.018 -5.764 1.00 1.00 H new ATOM 0 HD1 PHE A 7 77.680 35.919 -9.322 1.00 1.00 H new ATOM 0 HD2 PHE A 7 77.858 34.728 -5.198 1.00 1.00 H new ATOM 0 HE1 PHE A 7 77.661 33.537 -10.009 1.00 1.00 H new ATOM 0 HE2 PHE A 7 77.842 32.347 -5.886 1.00 1.00 H new ATOM 0 HZ PHE A 7 77.740 31.750 -8.290 1.00 1.00 H new ATOM 96 N ASP A 8 75.809 36.024 -5.124 1.00 1.00 N ATOM 97 CA ASP A 8 74.939 35.150 -4.347 1.00 1.00 C ATOM 98 C ASP A 8 74.109 34.261 -5.269 1.00 1.00 C ATOM 99 O ASP A 8 73.040 34.657 -5.733 1.00 1.00 O ATOM 100 CB ASP A 8 74.007 35.988 -3.469 1.00 1.00 C ATOM 101 CG ASP A 8 73.477 35.143 -2.316 1.00 1.00 C ATOM 102 OD1 ASP A 8 74.264 34.801 -1.448 1.00 1.00 O ATOM 103 OD2 ASP A 8 72.293 34.850 -2.317 1.00 1.00 O ATOM 0 H ASP A 8 76.754 36.123 -4.752 1.00 1.00 H new ATOM 0 HA ASP A 8 75.562 34.517 -3.715 1.00 1.00 H new ATOM 0 HB2 ASP A 8 74.542 36.854 -3.080 1.00 1.00 H new ATOM 0 HB3 ASP A 8 73.177 36.367 -4.064 1.00 1.00 H new ATOM 108 N ASN A 9 74.610 33.058 -5.530 1.00 1.00 N ATOM 109 CA ASN A 9 73.908 32.121 -6.399 1.00 1.00 C ATOM 110 C ASN A 9 72.638 31.612 -5.721 1.00 1.00 C ATOM 111 O ASN A 9 71.995 30.682 -6.208 1.00 1.00 O ATOM 112 CB ASN A 9 74.817 30.938 -6.737 1.00 1.00 C ATOM 113 CG ASN A 9 75.057 30.092 -5.491 1.00 1.00 C ATOM 114 OD1 ASN A 9 74.425 29.050 -5.317 1.00 1.00 O ATOM 115 ND2 ASN A 9 75.937 30.480 -4.609 1.00 1.00 N ATOM 0 H ASN A 9 75.493 32.711 -5.155 1.00 1.00 H new ATOM 0 HA ASN A 9 73.635 32.641 -7.317 1.00 1.00 H new ATOM 0 HB2 ASN A 9 74.360 30.329 -7.517 1.00 1.00 H new ATOM 0 HB3 ASN A 9 75.767 31.300 -7.130 1.00 1.00 H new ATOM 0 HD21 ASN A 9 76.103 29.919 -3.773 1.00 1.00 H new ATOM 0 HD22 ASN A 9 76.459 31.344 -4.756 1.00 1.00 H new ATOM 122 N TYR A 10 72.285 32.227 -4.598 1.00 1.00 N ATOM 123 CA TYR A 10 71.091 31.829 -3.863 1.00 1.00 C ATOM 124 C TYR A 10 71.281 30.449 -3.240 1.00 1.00 C ATOM 125 O TYR A 10 71.304 30.307 -2.017 1.00 1.00 O ATOM 126 CB TYR A 10 69.883 31.804 -4.802 1.00 1.00 C ATOM 127 CG TYR A 10 70.050 32.863 -5.865 1.00 1.00 C ATOM 128 CD1 TYR A 10 70.418 34.165 -5.503 1.00 1.00 C ATOM 129 CD2 TYR A 10 69.834 32.544 -7.211 1.00 1.00 C ATOM 130 CE1 TYR A 10 70.573 35.148 -6.489 1.00 1.00 C ATOM 131 CE2 TYR A 10 69.989 33.528 -8.196 1.00 1.00 C ATOM 132 CZ TYR A 10 70.357 34.829 -7.835 1.00 1.00 C ATOM 133 OH TYR A 10 70.510 35.797 -8.806 1.00 1.00 O ATOM 0 H TYR A 10 72.805 32.998 -4.179 1.00 1.00 H new ATOM 0 HA TYR A 10 70.918 32.554 -3.068 1.00 1.00 H new ATOM 0 HB2 TYR A 10 69.788 30.821 -5.264 1.00 1.00 H new ATOM 0 HB3 TYR A 10 68.967 31.981 -4.238 1.00 1.00 H new ATOM 0 HD1 TYR A 10 70.582 34.411 -4.464 1.00 1.00 H new ATOM 0 HD2 TYR A 10 69.548 31.540 -7.490 1.00 1.00 H new ATOM 0 HE1 TYR A 10 70.859 36.152 -6.211 1.00 1.00 H new ATOM 0 HE2 TYR A 10 69.824 33.282 -9.235 1.00 1.00 H new ATOM 0 HH TYR A 10 70.324 35.409 -9.687 1.00 1.00 H new ATOM 143 N TYR A 11 71.418 29.436 -4.090 1.00 1.00 N ATOM 144 CA TYR A 11 71.606 28.071 -3.611 1.00 1.00 C ATOM 145 C TYR A 11 70.432 27.642 -2.736 1.00 1.00 C ATOM 146 O TYR A 11 69.812 28.467 -2.064 1.00 1.00 O ATOM 147 CB TYR A 11 72.905 27.970 -2.810 1.00 1.00 C ATOM 148 CG TYR A 11 72.607 27.437 -1.429 1.00 1.00 C ATOM 149 CD1 TYR A 11 72.335 26.076 -1.247 1.00 1.00 C ATOM 150 CD2 TYR A 11 72.601 28.306 -0.331 1.00 1.00 C ATOM 151 CE1 TYR A 11 72.058 25.584 0.034 1.00 1.00 C ATOM 152 CE2 TYR A 11 72.324 27.813 0.950 1.00 1.00 C ATOM 153 CZ TYR A 11 72.052 26.452 1.132 1.00 1.00 C ATOM 154 OH TYR A 11 71.779 25.965 2.394 1.00 1.00 O ATOM 0 H TYR A 11 71.403 29.533 -5.105 1.00 1.00 H new ATOM 0 HA TYR A 11 71.661 27.409 -4.475 1.00 1.00 H new ATOM 0 HB2 TYR A 11 73.609 27.313 -3.321 1.00 1.00 H new ATOM 0 HB3 TYR A 11 73.378 28.950 -2.739 1.00 1.00 H new ATOM 0 HD1 TYR A 11 72.339 25.406 -2.094 1.00 1.00 H new ATOM 0 HD2 TYR A 11 72.810 29.356 -0.472 1.00 1.00 H new ATOM 0 HE1 TYR A 11 71.849 24.534 0.175 1.00 1.00 H new ATOM 0 HE2 TYR A 11 72.320 28.483 1.797 1.00 1.00 H new ATOM 0 HH TYR A 11 71.816 26.699 3.043 1.00 1.00 H new ATOM 164 N GLY A 12 70.131 26.347 -2.750 1.00 1.00 N ATOM 165 CA GLY A 12 69.028 25.821 -1.954 1.00 1.00 C ATOM 166 C GLY A 12 67.824 26.755 -2.006 1.00 1.00 C ATOM 167 O GLY A 12 67.049 26.838 -1.054 1.00 1.00 O ATOM 0 H GLY A 12 70.631 25.648 -3.299 1.00 1.00 H new ATOM 0 HA2 GLY A 12 68.745 24.836 -2.324 1.00 1.00 H new ATOM 0 HA3 GLY A 12 69.349 25.693 -0.920 1.00 1.00 H new ATOM 171 N ALA A 13 67.675 27.457 -3.126 1.00 1.00 N ATOM 172 CA ALA A 13 66.562 28.383 -3.293 1.00 1.00 C ATOM 173 C ALA A 13 65.253 27.621 -3.475 1.00 1.00 C ATOM 174 O ALA A 13 64.170 28.169 -3.270 1.00 1.00 O ATOM 175 CB ALA A 13 66.806 29.279 -4.507 1.00 1.00 C ATOM 0 H ALA A 13 68.306 27.402 -3.925 1.00 1.00 H new ATOM 0 HA ALA A 13 66.489 28.999 -2.396 1.00 1.00 H new ATOM 0 HB1 ALA A 13 65.970 29.968 -4.625 1.00 1.00 H new ATOM 0 HB2 ALA A 13 67.726 29.846 -4.362 1.00 1.00 H new ATOM 0 HB3 ALA A 13 66.897 28.663 -5.402 1.00 1.00 H new ATOM 181 N ASP A 14 65.361 26.354 -3.861 1.00 1.00 N ATOM 182 CA ASP A 14 64.179 25.525 -4.069 1.00 1.00 C ATOM 183 C ASP A 14 63.313 25.503 -2.813 1.00 1.00 C ATOM 184 O ASP A 14 62.114 25.233 -2.879 1.00 1.00 O ATOM 185 CB ASP A 14 64.598 24.098 -4.428 1.00 1.00 C ATOM 186 CG ASP A 14 65.102 23.374 -3.183 1.00 1.00 C ATOM 187 OD1 ASP A 14 66.203 23.675 -2.752 1.00 1.00 O ATOM 188 OD2 ASP A 14 64.380 22.530 -2.679 1.00 1.00 O ATOM 0 H ASP A 14 66.248 25.881 -4.035 1.00 1.00 H new ATOM 0 HA ASP A 14 63.600 25.950 -4.889 1.00 1.00 H new ATOM 0 HB2 ASP A 14 63.753 23.559 -4.855 1.00 1.00 H new ATOM 0 HB3 ASP A 14 65.379 24.120 -5.188 1.00 1.00 H new ATOM 193 N ASN A 15 63.930 25.788 -1.670 1.00 1.00 N ATOM 194 CA ASN A 15 63.205 25.798 -0.405 1.00 1.00 C ATOM 195 C ASN A 15 61.913 26.598 -0.534 1.00 1.00 C ATOM 196 O ASN A 15 60.859 26.174 -0.060 1.00 1.00 O ATOM 197 CB ASN A 15 64.079 26.408 0.693 1.00 1.00 C ATOM 198 CG ASN A 15 63.666 25.859 2.054 1.00 1.00 C ATOM 199 OD1 ASN A 15 62.508 25.491 2.251 1.00 1.00 O ATOM 200 ND2 ASN A 15 64.550 25.781 3.011 1.00 1.00 N ATOM 0 H ASN A 15 64.922 26.013 -1.594 1.00 1.00 H new ATOM 0 HA ASN A 15 62.957 24.770 -0.142 1.00 1.00 H new ATOM 0 HB2 ASN A 15 65.128 26.180 0.503 1.00 1.00 H new ATOM 0 HB3 ASN A 15 63.982 27.494 0.685 1.00 1.00 H new ATOM 0 HD21 ASN A 15 64.282 25.415 3.924 1.00 1.00 H new ATOM 0 HD22 ASN A 15 65.509 26.086 2.846 1.00 1.00 H new ATOM 207 N GLN A 16 62.002 27.757 -1.177 1.00 1.00 N ATOM 208 CA GLN A 16 60.833 28.609 -1.362 1.00 1.00 C ATOM 209 C GLN A 16 60.208 28.369 -2.732 1.00 1.00 C ATOM 210 O GLN A 16 59.833 29.313 -3.428 1.00 1.00 O ATOM 211 CB GLN A 16 61.233 30.080 -1.231 1.00 1.00 C ATOM 212 CG GLN A 16 61.790 30.336 0.171 1.00 1.00 C ATOM 213 CD GLN A 16 60.780 31.124 0.997 1.00 1.00 C ATOM 214 OE1 GLN A 16 60.264 30.620 1.994 1.00 1.00 O ATOM 215 NE2 GLN A 16 60.466 32.340 0.641 1.00 1.00 N ATOM 0 H GLN A 16 62.865 28.126 -1.576 1.00 1.00 H new ATOM 0 HA GLN A 16 60.101 28.363 -0.593 1.00 1.00 H new ATOM 0 HB2 GLN A 16 61.981 30.332 -1.982 1.00 1.00 H new ATOM 0 HB3 GLN A 16 60.370 30.720 -1.413 1.00 1.00 H new ATOM 0 HG2 GLN A 16 62.013 29.388 0.661 1.00 1.00 H new ATOM 0 HG3 GLN A 16 62.727 30.888 0.104 1.00 1.00 H new ATOM 0 HE21 GLN A 16 60.895 32.756 -0.186 1.00 1.00 H new ATOM 0 HE22 GLN A 16 59.792 32.874 1.190 1.00 1.00 H new ATOM 224 N SER A 17 60.097 27.101 -3.114 1.00 1.00 N ATOM 225 CA SER A 17 59.514 26.749 -4.403 1.00 1.00 C ATOM 226 C SER A 17 58.806 25.400 -4.322 1.00 1.00 C ATOM 227 O SER A 17 59.355 24.432 -3.794 1.00 1.00 O ATOM 228 CB SER A 17 60.606 26.691 -5.470 1.00 1.00 C ATOM 229 OG SER A 17 60.784 25.344 -5.888 1.00 1.00 O ATOM 0 H SER A 17 60.401 26.305 -2.553 1.00 1.00 H new ATOM 0 HA SER A 17 58.784 27.513 -4.671 1.00 1.00 H new ATOM 0 HB2 SER A 17 60.332 27.315 -6.321 1.00 1.00 H new ATOM 0 HB3 SER A 17 61.540 27.087 -5.072 1.00 1.00 H new ATOM 0 HG SER A 17 61.079 24.802 -5.127 1.00 1.00 H new ATOM 235 N GLU A 18 57.588 25.344 -4.847 1.00 1.00 N ATOM 236 CA GLU A 18 56.814 24.108 -4.828 1.00 1.00 C ATOM 237 C GLU A 18 57.680 22.928 -5.257 1.00 1.00 C ATOM 238 O GLU A 18 57.910 22.714 -6.448 1.00 1.00 O ATOM 239 CB GLU A 18 55.612 24.229 -5.766 1.00 1.00 C ATOM 240 CG GLU A 18 54.753 25.423 -5.344 1.00 1.00 C ATOM 241 CD GLU A 18 54.864 26.537 -6.378 1.00 1.00 C ATOM 242 OE1 GLU A 18 55.940 27.096 -6.504 1.00 1.00 O ATOM 243 OE2 GLU A 18 53.871 26.816 -7.029 1.00 1.00 O ATOM 0 H GLU A 18 57.117 26.134 -5.288 1.00 1.00 H new ATOM 0 HA GLU A 18 56.463 23.937 -3.810 1.00 1.00 H new ATOM 0 HB2 GLU A 18 55.951 24.357 -6.794 1.00 1.00 H new ATOM 0 HB3 GLU A 18 55.021 23.314 -5.737 1.00 1.00 H new ATOM 0 HG2 GLU A 18 53.713 25.114 -5.240 1.00 1.00 H new ATOM 0 HG3 GLU A 18 55.076 25.787 -4.369 1.00 1.00 H new ATOM 250 N CYS A 19 58.158 22.164 -4.280 1.00 1.00 N ATOM 251 CA CYS A 19 58.998 21.008 -4.569 1.00 1.00 C ATOM 252 C CYS A 19 58.172 19.726 -4.546 1.00 1.00 C ATOM 253 O CYS A 19 58.674 18.646 -4.859 1.00 1.00 O ATOM 254 CB CYS A 19 60.124 20.910 -3.539 1.00 1.00 C ATOM 255 SG CYS A 19 61.134 19.447 -3.886 1.00 1.00 S ATOM 0 H CYS A 19 57.980 22.323 -3.288 1.00 1.00 H new ATOM 0 HA CYS A 19 59.426 21.133 -5.564 1.00 1.00 H new ATOM 0 HB2 CYS A 19 60.741 21.808 -3.573 1.00 1.00 H new ATOM 0 HB3 CYS A 19 59.707 20.847 -2.534 1.00 1.00 H new ATOM 0 HG CYS A 19 60.390 18.522 -4.416 1.00 1.00 H new ATOM 261 N GLU A 20 56.902 19.852 -4.172 1.00 1.00 N ATOM 262 CA GLU A 20 56.015 18.697 -4.112 1.00 1.00 C ATOM 263 C GLU A 20 54.595 19.091 -4.502 1.00 1.00 C ATOM 264 O GLU A 20 53.995 18.487 -5.391 1.00 1.00 O ATOM 265 CB GLU A 20 56.014 18.112 -2.698 1.00 1.00 C ATOM 266 CG GLU A 20 57.437 18.136 -2.135 1.00 1.00 C ATOM 267 CD GLU A 20 57.469 17.450 -0.774 1.00 1.00 C ATOM 268 OE1 GLU A 20 57.042 16.310 -0.697 1.00 1.00 O ATOM 269 OE2 GLU A 20 57.922 18.075 0.173 1.00 1.00 O ATOM 0 H GLU A 20 56.467 20.736 -3.908 1.00 1.00 H new ATOM 0 HA GLU A 20 56.378 17.947 -4.815 1.00 1.00 H new ATOM 0 HB2 GLU A 20 55.347 18.687 -2.055 1.00 1.00 H new ATOM 0 HB3 GLU A 20 55.636 17.090 -2.716 1.00 1.00 H new ATOM 0 HG2 GLU A 20 58.117 17.632 -2.822 1.00 1.00 H new ATOM 0 HG3 GLU A 20 57.783 19.165 -2.041 1.00 1.00 H new ATOM 276 N TYR A 21 54.063 20.107 -3.832 1.00 1.00 N ATOM 277 CA TYR A 21 52.710 20.574 -4.117 1.00 1.00 C ATOM 278 C TYR A 21 52.632 21.163 -5.522 1.00 1.00 C ATOM 279 O TYR A 21 52.462 22.371 -5.690 1.00 1.00 O ATOM 280 CB TYR A 21 52.296 21.632 -3.093 1.00 1.00 C ATOM 281 CG TYR A 21 52.346 21.038 -1.706 1.00 1.00 C ATOM 282 CD1 TYR A 21 51.334 20.171 -1.279 1.00 1.00 C ATOM 283 CD2 TYR A 21 53.407 21.353 -0.847 1.00 1.00 C ATOM 284 CE1 TYR A 21 51.381 19.620 0.007 1.00 1.00 C ATOM 285 CE2 TYR A 21 53.453 20.803 0.438 1.00 1.00 C ATOM 286 CZ TYR A 21 52.441 19.936 0.866 1.00 1.00 C ATOM 287 OH TYR A 21 52.487 19.393 2.134 1.00 1.00 O ATOM 0 H TYR A 21 54.543 20.620 -3.093 1.00 1.00 H new ATOM 0 HA TYR A 21 52.031 19.724 -4.054 1.00 1.00 H new ATOM 0 HB2 TYR A 21 52.961 22.493 -3.155 1.00 1.00 H new ATOM 0 HB3 TYR A 21 51.290 21.990 -3.311 1.00 1.00 H new ATOM 0 HD1 TYR A 21 50.517 19.927 -1.942 1.00 1.00 H new ATOM 0 HD2 TYR A 21 54.189 22.020 -1.177 1.00 1.00 H new ATOM 0 HE1 TYR A 21 50.600 18.951 0.337 1.00 1.00 H new ATOM 0 HE2 TYR A 21 54.270 21.047 1.101 1.00 1.00 H new ATOM 0 HH TYR A 21 53.288 19.714 2.598 1.00 1.00 H new ATOM 297 N THR A 22 52.757 20.303 -6.527 1.00 1.00 N ATOM 298 CA THR A 22 52.699 20.750 -7.914 1.00 1.00 C ATOM 299 C THR A 22 52.708 19.555 -8.862 1.00 1.00 C ATOM 300 O THR A 22 52.041 19.567 -9.897 1.00 1.00 O ATOM 301 CB THR A 22 53.893 21.657 -8.221 1.00 1.00 C ATOM 302 OG1 THR A 22 53.869 22.018 -9.595 1.00 1.00 O ATOM 303 CG2 THR A 22 55.194 20.914 -7.910 1.00 1.00 C ATOM 0 H THR A 22 52.898 19.300 -6.409 1.00 1.00 H new ATOM 0 HA THR A 22 51.773 21.307 -8.059 1.00 1.00 H new ATOM 0 HB THR A 22 53.835 22.556 -7.607 1.00 1.00 H new ATOM 0 HG1 THR A 22 54.632 22.600 -9.794 1.00 1.00 H new ATOM 0 HG21 THR A 22 56.044 21.561 -8.129 1.00 1.00 H new ATOM 0 HG22 THR A 22 55.211 20.636 -6.856 1.00 1.00 H new ATOM 0 HG23 THR A 22 55.255 20.015 -8.523 1.00 1.00 H new ATOM 311 N ASP A 23 53.467 18.526 -8.503 1.00 1.00 N ATOM 312 CA ASP A 23 53.553 17.327 -9.329 1.00 1.00 C ATOM 313 C ASP A 23 52.259 16.525 -9.248 1.00 1.00 C ATOM 314 O ASP A 23 52.053 15.582 -10.011 1.00 1.00 O ATOM 315 CB ASP A 23 54.724 16.458 -8.868 1.00 1.00 C ATOM 316 CG ASP A 23 55.705 16.251 -10.018 1.00 1.00 C ATOM 317 OD1 ASP A 23 56.056 17.229 -10.655 1.00 1.00 O ATOM 318 OD2 ASP A 23 56.090 15.115 -10.243 1.00 1.00 O ATOM 0 H ASP A 23 54.028 18.497 -7.652 1.00 1.00 H new ATOM 0 HA ASP A 23 53.713 17.633 -10.363 1.00 1.00 H new ATOM 0 HB2 ASP A 23 55.231 16.932 -8.028 1.00 1.00 H new ATOM 0 HB3 ASP A 23 54.356 15.495 -8.515 1.00 1.00 H new ATOM 323 N TRP A 24 51.390 16.905 -8.316 1.00 1.00 N ATOM 324 CA TRP A 24 50.119 16.214 -8.144 1.00 1.00 C ATOM 325 C TRP A 24 49.006 17.208 -7.826 1.00 1.00 C ATOM 326 O TRP A 24 47.968 17.221 -8.487 1.00 1.00 O ATOM 327 CB TRP A 24 50.231 15.190 -7.011 1.00 1.00 C ATOM 328 CG TRP A 24 50.408 15.904 -5.710 1.00 1.00 C ATOM 329 CD1 TRP A 24 51.445 16.719 -5.406 1.00 1.00 C ATOM 330 CD2 TRP A 24 49.545 15.883 -4.536 1.00 1.00 C ATOM 331 NE1 TRP A 24 51.273 17.200 -4.120 1.00 1.00 N ATOM 332 CE2 TRP A 24 50.117 16.713 -3.542 1.00 1.00 C ATOM 333 CE3 TRP A 24 48.335 15.231 -4.239 1.00 1.00 C ATOM 334 CZ2 TRP A 24 49.509 16.891 -2.298 1.00 1.00 C ATOM 335 CZ3 TRP A 24 47.720 15.408 -2.988 1.00 1.00 C ATOM 336 CH2 TRP A 24 48.306 16.235 -2.021 1.00 1.00 C ATOM 0 H TRP A 24 51.542 17.682 -7.673 1.00 1.00 H new ATOM 0 HA TRP A 24 49.877 15.701 -9.075 1.00 1.00 H new ATOM 0 HB2 TRP A 24 49.336 14.569 -6.978 1.00 1.00 H new ATOM 0 HB3 TRP A 24 51.075 14.524 -7.190 1.00 1.00 H new ATOM 0 HD1 TRP A 24 52.271 16.955 -6.060 1.00 1.00 H new ATOM 0 HE1 TRP A 24 51.921 17.836 -3.656 1.00 1.00 H new ATOM 0 HE3 TRP A 24 47.875 14.590 -4.977 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 49.964 17.530 -1.556 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 46.790 14.904 -2.771 1.00 1.00 H new ATOM 0 HH2 TRP A 24 47.828 16.366 -1.061 1.00 1.00 H new ATOM 347 N LYS A 25 49.235 18.039 -6.814 1.00 1.00 N ATOM 348 CA LYS A 25 48.255 19.036 -6.411 1.00 1.00 C ATOM 349 C LYS A 25 46.840 18.471 -6.491 1.00 1.00 C ATOM 350 O LYS A 25 45.949 19.084 -7.078 1.00 1.00 O ATOM 351 CB LYS A 25 48.373 20.268 -7.311 1.00 1.00 C ATOM 352 CG LYS A 25 47.415 21.355 -6.825 1.00 1.00 C ATOM 353 CD LYS A 25 48.089 22.724 -6.937 1.00 1.00 C ATOM 354 CE LYS A 25 49.050 22.922 -5.762 1.00 1.00 C ATOM 355 NZ LYS A 25 50.281 23.611 -6.238 1.00 1.00 N ATOM 0 H LYS A 25 50.091 18.040 -6.259 1.00 1.00 H new ATOM 0 HA LYS A 25 48.454 19.318 -5.377 1.00 1.00 H new ATOM 0 HB2 LYS A 25 49.397 20.641 -7.300 1.00 1.00 H new ATOM 0 HB3 LYS A 25 48.142 20.001 -8.342 1.00 1.00 H new ATOM 0 HG2 LYS A 25 46.501 21.339 -7.418 1.00 1.00 H new ATOM 0 HG3 LYS A 25 47.127 21.164 -5.791 1.00 1.00 H new ATOM 0 HD2 LYS A 25 48.631 22.797 -7.880 1.00 1.00 H new ATOM 0 HD3 LYS A 25 47.336 23.512 -6.940 1.00 1.00 H new ATOM 0 HE2 LYS A 25 48.570 23.511 -4.981 1.00 1.00 H new ATOM 0 HE3 LYS A 25 49.307 21.958 -5.322 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 51.065 22.929 -6.282 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 50.113 24.007 -7.185 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 50.526 24.378 -5.580 1.00 1.00 H new ATOM 369 N SER A 26 46.644 17.297 -5.899 1.00 1.00 N ATOM 370 CA SER A 26 45.335 16.653 -5.909 1.00 1.00 C ATOM 371 C SER A 26 45.098 15.954 -7.242 1.00 1.00 C ATOM 372 O SER A 26 45.160 16.579 -8.300 1.00 1.00 O ATOM 373 CB SER A 26 44.238 17.690 -5.669 1.00 1.00 C ATOM 374 OG SER A 26 43.766 18.170 -6.920 1.00 1.00 O ATOM 0 H SER A 26 47.370 16.775 -5.409 1.00 1.00 H new ATOM 0 HA SER A 26 45.308 15.911 -5.111 1.00 1.00 H new ATOM 0 HB2 SER A 26 43.419 17.246 -5.104 1.00 1.00 H new ATOM 0 HB3 SER A 26 44.626 18.516 -5.072 1.00 1.00 H new ATOM 0 HG SER A 26 44.512 18.221 -7.553 1.00 1.00 H new ATOM 380 N SER A 27 44.830 14.654 -7.183 1.00 1.00 N ATOM 381 CA SER A 27 44.589 13.881 -8.394 1.00 1.00 C ATOM 382 C SER A 27 43.121 13.964 -8.800 1.00 1.00 C ATOM 383 O SER A 27 42.465 12.944 -9.005 1.00 1.00 O ATOM 384 CB SER A 27 44.976 12.420 -8.168 1.00 1.00 C ATOM 385 OG SER A 27 44.503 12.001 -6.895 1.00 1.00 O ATOM 0 H SER A 27 44.775 14.118 -6.317 1.00 1.00 H new ATOM 0 HA SER A 27 45.200 14.298 -9.195 1.00 1.00 H new ATOM 0 HB2 SER A 27 44.550 11.793 -8.951 1.00 1.00 H new ATOM 0 HB3 SER A 27 46.059 12.306 -8.222 1.00 1.00 H new ATOM 0 HG SER A 27 44.748 11.064 -6.747 1.00 1.00 H new ATOM 391 N GLY A 28 42.613 15.186 -8.916 1.00 1.00 N ATOM 392 CA GLY A 28 41.221 15.391 -9.298 1.00 1.00 C ATOM 393 C GLY A 28 40.616 16.572 -8.549 1.00 1.00 C ATOM 394 O GLY A 28 39.581 17.107 -8.947 1.00 1.00 O ATOM 0 H GLY A 28 43.140 16.044 -8.752 1.00 1.00 H new ATOM 0 HA2 GLY A 28 41.157 15.566 -10.372 1.00 1.00 H new ATOM 0 HA3 GLY A 28 40.646 14.489 -9.087 1.00 1.00 H new ATOM 398 N ALA A 29 41.267 16.975 -7.463 1.00 1.00 N ATOM 399 CA ALA A 29 40.782 18.096 -6.665 1.00 1.00 C ATOM 400 C ALA A 29 39.521 17.703 -5.902 1.00 1.00 C ATOM 401 O ALA A 29 38.571 18.480 -5.815 1.00 1.00 O ATOM 402 CB ALA A 29 40.482 19.291 -7.572 1.00 1.00 C ATOM 0 H ALA A 29 42.125 16.546 -7.117 1.00 1.00 H new ATOM 0 HA ALA A 29 41.556 18.371 -5.948 1.00 1.00 H new ATOM 0 HB1 ALA A 29 40.120 20.124 -6.969 1.00 1.00 H new ATOM 0 HB2 ALA A 29 41.391 19.589 -8.094 1.00 1.00 H new ATOM 0 HB3 ALA A 29 39.720 19.013 -8.300 1.00 1.00 H new ATOM 408 N LEU A 30 39.521 16.491 -5.354 1.00 1.00 N ATOM 409 CA LEU A 30 38.371 16.001 -4.602 1.00 1.00 C ATOM 410 C LEU A 30 38.819 15.370 -3.287 1.00 1.00 C ATOM 411 O LEU A 30 37.995 14.925 -2.488 1.00 1.00 O ATOM 412 CB LEU A 30 37.610 14.965 -5.430 1.00 1.00 C ATOM 413 CG LEU A 30 38.491 13.730 -5.635 1.00 1.00 C ATOM 414 CD1 LEU A 30 38.009 12.593 -4.732 1.00 1.00 C ATOM 415 CD2 LEU A 30 38.414 13.286 -7.097 1.00 1.00 C ATOM 0 H LEU A 30 40.299 15.834 -5.416 1.00 1.00 H new ATOM 0 HA LEU A 30 37.718 16.846 -4.384 1.00 1.00 H new ATOM 0 HB2 LEU A 30 36.686 14.686 -4.923 1.00 1.00 H new ATOM 0 HB3 LEU A 30 37.329 15.389 -6.394 1.00 1.00 H new ATOM 0 HG LEU A 30 39.522 13.978 -5.381 1.00 1.00 H new ATOM 0 HD11 LEU A 30 38.640 11.717 -4.882 1.00 1.00 H new ATOM 0 HD12 LEU A 30 38.066 12.907 -3.690 1.00 1.00 H new ATOM 0 HD13 LEU A 30 36.977 12.344 -4.980 1.00 1.00 H new ATOM 0 HD21 LEU A 30 39.041 12.407 -7.244 1.00 1.00 H new ATOM 0 HD22 LEU A 30 37.382 13.042 -7.349 1.00 1.00 H new ATOM 0 HD23 LEU A 30 38.764 14.093 -7.741 1.00 1.00 H new ATOM 427 N ILE A 31 40.129 15.334 -3.068 1.00 1.00 N ATOM 428 CA ILE A 31 40.673 14.755 -1.846 1.00 1.00 C ATOM 429 C ILE A 31 40.422 15.666 -0.644 1.00 1.00 C ATOM 430 O ILE A 31 40.124 15.184 0.449 1.00 1.00 O ATOM 431 CB ILE A 31 42.178 14.503 -1.999 1.00 1.00 C ATOM 432 CG1 ILE A 31 42.530 14.381 -3.484 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.550 13.204 -1.280 1.00 1.00 C ATOM 434 CD1 ILE A 31 43.865 13.650 -3.635 1.00 1.00 C ATOM 0 H ILE A 31 40.829 15.696 -3.716 1.00 1.00 H new ATOM 0 HA ILE A 31 40.165 13.806 -1.672 1.00 1.00 H new ATOM 0 HB ILE A 31 42.731 15.335 -1.563 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.745 13.839 -4.011 1.00 1.00 H new ATOM 0 HG13 ILE A 31 42.592 15.371 -3.936 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.619 13.022 -1.387 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.301 13.289 -0.222 1.00 1.00 H new ATOM 0 HG23 ILE A 31 41.995 12.374 -1.718 1.00 1.00 H new ATOM 0 HD11 ILE A 31 44.115 13.564 -4.692 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.647 14.210 -3.122 1.00 1.00 H new ATOM 0 HD13 ILE A 31 43.786 12.654 -3.198 1.00 1.00 H new ATOM 446 N PRO A 32 40.533 16.963 -0.813 1.00 1.00 N ATOM 447 CA PRO A 32 40.308 17.931 0.287 1.00 1.00 C ATOM 448 C PRO A 32 38.836 18.312 0.416 1.00 1.00 C ATOM 449 O PRO A 32 38.482 19.219 1.170 1.00 1.00 O ATOM 450 CB PRO A 32 41.157 19.134 -0.124 1.00 1.00 C ATOM 451 CG PRO A 32 41.271 19.071 -1.618 1.00 1.00 C ATOM 452 CD PRO A 32 40.880 17.655 -2.063 1.00 1.00 C ATOM 0 HA PRO A 32 40.579 17.527 1.262 1.00 1.00 H new ATOM 0 HB2 PRO A 32 40.690 20.067 0.192 1.00 1.00 H new ATOM 0 HB3 PRO A 32 42.141 19.095 0.344 1.00 1.00 H new ATOM 0 HG2 PRO A 32 40.618 19.810 -2.082 1.00 1.00 H new ATOM 0 HG3 PRO A 32 42.289 19.302 -1.933 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.037 17.674 -2.754 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.703 17.158 -2.577 1.00 1.00 H new ATOM 460 N ALA A 33 37.988 17.609 -0.329 1.00 1.00 N ATOM 461 CA ALA A 33 36.552 17.869 -0.301 1.00 1.00 C ATOM 462 C ALA A 33 35.814 16.717 0.371 1.00 1.00 C ATOM 463 O ALA A 33 34.729 16.899 0.921 1.00 1.00 O ATOM 464 CB ALA A 33 36.029 18.047 -1.727 1.00 1.00 C ATOM 0 H ALA A 33 38.269 16.857 -0.958 1.00 1.00 H new ATOM 0 HA ALA A 33 36.376 18.781 0.269 1.00 1.00 H new ATOM 0 HB1 ALA A 33 34.957 18.241 -1.700 1.00 1.00 H new ATOM 0 HB2 ALA A 33 36.538 18.888 -2.199 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.219 17.140 -2.300 1.00 1.00 H new ATOM 470 N ILE A 34 36.414 15.530 0.318 1.00 1.00 N ATOM 471 CA ILE A 34 35.811 14.345 0.920 1.00 1.00 C ATOM 472 C ILE A 34 36.623 13.884 2.126 1.00 1.00 C ATOM 473 O ILE A 34 36.068 13.403 3.112 1.00 1.00 O ATOM 474 CB ILE A 34 35.741 13.218 -0.112 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.854 13.656 -1.281 1.00 1.00 C ATOM 476 CG2 ILE A 34 35.148 11.967 0.536 1.00 1.00 C ATOM 477 CD1 ILE A 34 35.196 12.832 -2.524 1.00 1.00 C ATOM 0 H ILE A 34 37.313 15.364 -0.134 1.00 1.00 H new ATOM 0 HA ILE A 34 34.804 14.599 1.252 1.00 1.00 H new ATOM 0 HB ILE A 34 36.744 12.996 -0.477 1.00 1.00 H new ATOM 0 HG12 ILE A 34 33.803 13.523 -1.023 1.00 1.00 H new ATOM 0 HG13 ILE A 34 35.001 14.717 -1.484 1.00 1.00 H new ATOM 0 HG21 ILE A 34 35.099 11.165 -0.200 1.00 1.00 H new ATOM 0 HG22 ILE A 34 35.777 11.656 1.370 1.00 1.00 H new ATOM 0 HG23 ILE A 34 34.145 12.187 0.901 1.00 1.00 H new ATOM 0 HD11 ILE A 34 34.563 13.146 -3.354 1.00 1.00 H new ATOM 0 HD12 ILE A 34 36.242 12.987 -2.787 1.00 1.00 H new ATOM 0 HD13 ILE A 34 35.026 11.775 -2.318 1.00 1.00 H new ATOM 489 N TYR A 35 37.941 14.037 2.039 1.00 1.00 N ATOM 490 CA TYR A 35 38.820 13.633 3.129 1.00 1.00 C ATOM 491 C TYR A 35 38.867 14.712 4.206 1.00 1.00 C ATOM 492 O TYR A 35 39.197 14.436 5.360 1.00 1.00 O ATOM 493 CB TYR A 35 40.231 13.380 2.596 1.00 1.00 C ATOM 494 CG TYR A 35 40.942 12.398 3.496 1.00 1.00 C ATOM 495 CD1 TYR A 35 40.634 11.034 3.424 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.908 12.851 4.402 1.00 1.00 C ATOM 497 CE1 TYR A 35 41.293 10.122 4.259 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.567 11.939 5.236 1.00 1.00 C ATOM 499 CZ TYR A 35 42.260 10.575 5.164 1.00 1.00 C ATOM 500 OH TYR A 35 42.909 9.677 5.987 1.00 1.00 O ATOM 0 H TYR A 35 38.420 14.435 1.231 1.00 1.00 H new ATOM 0 HA TYR A 35 38.427 12.715 3.566 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.182 12.989 1.580 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.787 14.316 2.551 1.00 1.00 H new ATOM 0 HD1 TYR A 35 39.889 10.685 2.725 1.00 1.00 H new ATOM 0 HD2 TYR A 35 42.145 13.903 4.458 1.00 1.00 H new ATOM 0 HE1 TYR A 35 41.055 9.070 4.204 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.312 12.288 5.935 1.00 1.00 H new ATOM 0 HH TYR A 35 43.550 10.156 6.553 1.00 1.00 H new ATOM 510 N MET A 36 38.534 15.939 3.822 1.00 1.00 N ATOM 511 CA MET A 36 38.542 17.052 4.762 1.00 1.00 C ATOM 512 C MET A 36 37.192 17.176 5.460 1.00 1.00 C ATOM 513 O MET A 36 37.111 17.141 6.688 1.00 1.00 O ATOM 514 CB MET A 36 38.859 18.355 4.024 1.00 1.00 C ATOM 515 CG MET A 36 39.130 19.464 5.040 1.00 1.00 C ATOM 516 SD MET A 36 40.901 19.843 5.061 1.00 1.00 S ATOM 517 CE MET A 36 40.924 20.899 3.592 1.00 1.00 C ATOM 0 H MET A 36 38.257 16.187 2.872 1.00 1.00 H new ATOM 0 HA MET A 36 39.309 16.863 5.513 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.727 18.218 3.379 1.00 1.00 H new ATOM 0 HB3 MET A 36 38.024 18.633 3.380 1.00 1.00 H new ATOM 0 HG2 MET A 36 38.559 20.356 4.782 1.00 1.00 H new ATOM 0 HG3 MET A 36 38.802 19.152 6.032 1.00 1.00 H new ATOM 0 HE1 MET A 36 41.940 21.252 3.414 1.00 1.00 H new ATOM 0 HE2 MET A 36 40.582 20.329 2.729 1.00 1.00 H new ATOM 0 HE3 MET A 36 40.265 21.753 3.747 1.00 1.00 H new ATOM 527 N LEU A 37 36.133 17.318 4.670 1.00 1.00 N ATOM 528 CA LEU A 37 34.791 17.445 5.224 1.00 1.00 C ATOM 529 C LEU A 37 34.454 16.239 6.095 1.00 1.00 C ATOM 530 O LEU A 37 33.522 16.282 6.898 1.00 1.00 O ATOM 531 CB LEU A 37 33.767 17.562 4.093 1.00 1.00 C ATOM 532 CG LEU A 37 34.208 18.650 3.112 1.00 1.00 C ATOM 533 CD1 LEU A 37 33.180 18.774 1.986 1.00 1.00 C ATOM 534 CD2 LEU A 37 34.316 19.987 3.850 1.00 1.00 C ATOM 0 H LEU A 37 36.177 17.348 3.651 1.00 1.00 H new ATOM 0 HA LEU A 37 34.757 18.344 5.839 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.672 16.608 3.575 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.785 17.802 4.501 1.00 1.00 H new ATOM 0 HG LEU A 37 35.177 18.385 2.690 1.00 1.00 H new ATOM 0 HD11 LEU A 37 33.496 19.550 1.288 1.00 1.00 H new ATOM 0 HD12 LEU A 37 33.101 17.823 1.460 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.210 19.038 2.407 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.630 20.763 3.152 1.00 1.00 H new ATOM 0 HD22 LEU A 37 33.346 20.249 4.272 1.00 1.00 H new ATOM 0 HD23 LEU A 37 35.049 19.902 4.652 1.00 1.00 H new ATOM 546 N VAL A 38 35.219 15.164 5.932 1.00 1.00 N ATOM 547 CA VAL A 38 34.993 13.952 6.710 1.00 1.00 C ATOM 548 C VAL A 38 35.990 13.861 7.861 1.00 1.00 C ATOM 549 O VAL A 38 35.990 12.893 8.619 1.00 1.00 O ATOM 550 CB VAL A 38 35.133 12.721 5.812 1.00 1.00 C ATOM 551 CG1 VAL A 38 34.938 11.455 6.648 1.00 1.00 C ATOM 552 CG2 VAL A 38 34.073 12.772 4.711 1.00 1.00 C ATOM 0 H VAL A 38 35.995 15.108 5.273 1.00 1.00 H new ATOM 0 HA VAL A 38 33.984 13.989 7.120 1.00 1.00 H new ATOM 0 HB VAL A 38 36.126 12.710 5.362 1.00 1.00 H new ATOM 0 HG11 VAL A 38 35.038 10.578 6.009 1.00 1.00 H new ATOM 0 HG12 VAL A 38 35.692 11.418 7.434 1.00 1.00 H new ATOM 0 HG13 VAL A 38 33.945 11.465 7.098 1.00 1.00 H new ATOM 0 HG21 VAL A 38 34.171 11.896 4.070 1.00 1.00 H new ATOM 0 HG22 VAL A 38 33.081 12.782 5.162 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.210 13.674 4.115 1.00 1.00 H new ATOM 562 N PHE A 39 36.839 14.877 7.982 1.00 1.00 N ATOM 563 CA PHE A 39 37.838 14.902 9.044 1.00 1.00 C ATOM 564 C PHE A 39 37.386 15.809 10.183 1.00 1.00 C ATOM 565 O PHE A 39 37.894 15.718 11.302 1.00 1.00 O ATOM 566 CB PHE A 39 39.175 15.401 8.491 1.00 1.00 C ATOM 567 CG PHE A 39 40.216 15.373 9.586 1.00 1.00 C ATOM 568 CD1 PHE A 39 40.623 14.150 10.131 1.00 1.00 C ATOM 569 CD2 PHE A 39 40.773 16.569 10.055 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.587 14.122 11.146 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.737 16.541 11.070 1.00 1.00 C ATOM 572 CZ PHE A 39 42.144 15.317 11.615 1.00 1.00 C ATOM 0 H PHE A 39 36.855 15.688 7.363 1.00 1.00 H new ATOM 0 HA PHE A 39 37.959 13.889 9.428 1.00 1.00 H new ATOM 0 HB2 PHE A 39 39.492 14.775 7.657 1.00 1.00 H new ATOM 0 HB3 PHE A 39 39.065 16.414 8.105 1.00 1.00 H new ATOM 0 HD1 PHE A 39 40.193 13.228 9.769 1.00 1.00 H new ATOM 0 HD2 PHE A 39 40.459 17.513 9.634 1.00 1.00 H new ATOM 0 HE1 PHE A 39 41.901 13.178 11.567 1.00 1.00 H new ATOM 0 HE2 PHE A 39 42.167 17.463 11.433 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.888 15.295 12.398 1.00 1.00 H new ATOM 582 N LEU A 40 36.426 16.682 9.893 1.00 1.00 N ATOM 583 CA LEU A 40 35.911 17.602 10.901 1.00 1.00 C ATOM 584 C LEU A 40 34.564 17.119 11.428 1.00 1.00 C ATOM 585 O LEU A 40 34.025 17.674 12.386 1.00 1.00 O ATOM 586 CB LEU A 40 35.753 19.000 10.301 1.00 1.00 C ATOM 587 CG LEU A 40 37.054 19.409 9.608 1.00 1.00 C ATOM 588 CD1 LEU A 40 36.896 20.807 9.006 1.00 1.00 C ATOM 589 CD2 LEU A 40 38.194 19.422 10.629 1.00 1.00 C ATOM 0 H LEU A 40 35.991 16.772 8.975 1.00 1.00 H new ATOM 0 HA LEU A 40 36.621 17.639 11.727 1.00 1.00 H new ATOM 0 HB2 LEU A 40 34.930 19.010 9.587 1.00 1.00 H new ATOM 0 HB3 LEU A 40 35.505 19.717 11.083 1.00 1.00 H new ATOM 0 HG LEU A 40 37.282 18.696 8.816 1.00 1.00 H new ATOM 0 HD11 LEU A 40 37.823 21.098 8.512 1.00 1.00 H new ATOM 0 HD12 LEU A 40 36.084 20.800 8.278 1.00 1.00 H new ATOM 0 HD13 LEU A 40 36.667 21.520 9.798 1.00 1.00 H new ATOM 0 HD21 LEU A 40 39.121 19.713 10.135 1.00 1.00 H new ATOM 0 HD22 LEU A 40 37.965 20.135 11.421 1.00 1.00 H new ATOM 0 HD23 LEU A 40 38.309 18.427 11.059 1.00 1.00 H new ATOM 601 N LEU A 41 34.025 16.080 10.796 1.00 1.00 N ATOM 602 CA LEU A 41 32.739 15.528 11.208 1.00 1.00 C ATOM 603 C LEU A 41 32.794 14.004 11.233 1.00 1.00 C ATOM 604 O LEU A 41 31.767 13.339 11.374 1.00 1.00 O ATOM 605 CB LEU A 41 31.642 15.985 10.246 1.00 1.00 C ATOM 606 CG LEU A 41 31.266 17.437 10.551 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.983 18.178 9.243 1.00 1.00 C ATOM 608 CD2 LEU A 41 30.016 17.464 11.432 1.00 1.00 C ATOM 0 H LEU A 41 34.456 15.606 10.002 1.00 1.00 H new ATOM 0 HA LEU A 41 32.515 15.889 12.212 1.00 1.00 H new ATOM 0 HB2 LEU A 41 31.987 15.897 9.216 1.00 1.00 H new ATOM 0 HB3 LEU A 41 30.767 15.343 10.345 1.00 1.00 H new ATOM 0 HG LEU A 41 32.090 17.924 11.072 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.715 19.212 9.461 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.873 18.159 8.614 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.159 17.692 8.721 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.747 18.497 11.650 1.00 1.00 H new ATOM 0 HD22 LEU A 41 29.192 16.977 10.910 1.00 1.00 H new ATOM 0 HD23 LEU A 41 30.217 16.937 12.365 1.00 1.00 H new ATOM 620 N GLY A 42 33.997 13.458 11.095 1.00 1.00 N ATOM 621 CA GLY A 42 34.173 12.010 11.103 1.00 1.00 C ATOM 622 C GLY A 42 34.550 11.514 12.495 1.00 1.00 C ATOM 623 O GLY A 42 34.060 10.480 12.950 1.00 1.00 O ATOM 0 H GLY A 42 34.859 13.991 10.977 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.252 11.526 10.777 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.949 11.730 10.391 1.00 1.00 H new ATOM 627 N THR A 43 35.421 12.259 13.166 1.00 1.00 N ATOM 628 CA THR A 43 35.855 11.887 14.508 1.00 1.00 C ATOM 629 C THR A 43 35.929 13.116 15.407 1.00 1.00 C ATOM 630 O THR A 43 35.498 13.080 16.560 1.00 1.00 O ATOM 631 CB THR A 43 37.229 11.216 14.445 1.00 1.00 C ATOM 632 OG1 THR A 43 37.559 10.693 15.724 1.00 1.00 O ATOM 633 CG2 THR A 43 38.282 12.244 14.025 1.00 1.00 C ATOM 0 H THR A 43 35.838 13.118 12.807 1.00 1.00 H new ATOM 0 HA THR A 43 35.128 11.189 14.924 1.00 1.00 H new ATOM 0 HB THR A 43 37.204 10.406 13.717 1.00 1.00 H new ATOM 0 HG1 THR A 43 38.438 10.262 15.684 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.260 11.765 13.980 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.029 12.644 13.043 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.308 13.056 14.752 1.00 1.00 H new ATOM 641 N THR A 44 36.475 14.203 14.871 1.00 1.00 N ATOM 642 CA THR A 44 36.598 15.439 15.633 1.00 1.00 C ATOM 643 C THR A 44 35.243 15.858 16.195 1.00 1.00 C ATOM 644 O THR A 44 35.166 16.677 17.111 1.00 1.00 O ATOM 645 CB THR A 44 37.149 16.552 14.738 1.00 1.00 C ATOM 646 OG1 THR A 44 38.542 16.352 14.541 1.00 1.00 O ATOM 647 CG2 THR A 44 36.915 17.909 15.403 1.00 1.00 C ATOM 0 H THR A 44 36.837 14.253 13.919 1.00 1.00 H new ATOM 0 HA THR A 44 37.285 15.267 16.462 1.00 1.00 H new ATOM 0 HB THR A 44 36.638 16.531 13.775 1.00 1.00 H new ATOM 0 HG1 THR A 44 38.897 17.063 13.967 1.00 1.00 H new ATOM 0 HG21 THR A 44 37.308 18.700 14.764 1.00 1.00 H new ATOM 0 HG22 THR A 44 35.846 18.061 15.553 1.00 1.00 H new ATOM 0 HG23 THR A 44 37.424 17.935 16.367 1.00 1.00 H new ATOM 655 N GLY A 45 34.178 15.291 15.639 1.00 1.00 N ATOM 656 CA GLY A 45 32.830 15.613 16.092 1.00 1.00 C ATOM 657 C GLY A 45 32.669 15.316 17.578 1.00 1.00 C ATOM 658 O GLY A 45 32.120 16.124 18.327 1.00 1.00 O ATOM 0 H GLY A 45 34.221 14.611 14.880 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.621 16.666 15.903 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.103 15.036 15.521 1.00 1.00 H new ATOM 662 N ASN A 46 33.150 14.150 17.998 1.00 1.00 N ATOM 663 CA ASN A 46 33.054 13.757 19.399 1.00 1.00 C ATOM 664 C ASN A 46 34.086 12.683 19.726 1.00 1.00 C ATOM 665 O ASN A 46 34.025 11.570 19.205 1.00 1.00 O ATOM 666 CB ASN A 46 31.650 13.226 19.696 1.00 1.00 C ATOM 667 CG ASN A 46 30.685 14.390 19.890 1.00 1.00 C ATOM 668 OD1 ASN A 46 31.028 15.390 20.654 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 29.589 14.390 19.328 1.00 1.00 N flip ATOM 0 H ASN A 46 33.606 13.466 17.394 1.00 1.00 H new ATOM 0 HA ASN A 46 33.250 14.633 20.018 1.00 1.00 H new ATOM 0 HB2 ASN A 46 31.310 12.593 18.876 1.00 1.00 H new ATOM 0 HB3 ASN A 46 31.669 12.605 20.591 1.00 1.00 H new ATOM 0 HD21 ASN A 46 29.322 13.607 18.731 1.00 1.00 H new ATOM 0 HD22 ASN A 46 28.948 15.173 19.460 1.00 1.00 H new ATOM 676 N GLY A 47 35.034 13.026 20.592 1.00 1.00 N ATOM 677 CA GLY A 47 36.077 12.084 20.982 1.00 1.00 C ATOM 678 C GLY A 47 37.416 12.795 21.145 1.00 1.00 C ATOM 679 O GLY A 47 38.321 12.292 21.812 1.00 1.00 O ATOM 0 H GLY A 47 35.102 13.943 21.034 1.00 1.00 H new ATOM 0 HA2 GLY A 47 35.802 11.597 21.918 1.00 1.00 H new ATOM 0 HA3 GLY A 47 36.165 11.300 20.229 1.00 1.00 H new ATOM 683 N LEU A 48 37.537 13.968 20.530 1.00 1.00 N ATOM 684 CA LEU A 48 38.771 14.740 20.613 1.00 1.00 C ATOM 685 C LEU A 48 38.731 15.681 21.813 1.00 1.00 C ATOM 686 O LEU A 48 39.760 15.967 22.424 1.00 1.00 O ATOM 687 CB LEU A 48 38.965 15.555 19.331 1.00 1.00 C ATOM 688 CG LEU A 48 39.512 14.655 18.215 1.00 1.00 C ATOM 689 CD1 LEU A 48 40.961 14.247 18.515 1.00 1.00 C ATOM 690 CD2 LEU A 48 38.646 13.397 18.109 1.00 1.00 C ATOM 0 H LEU A 48 36.801 14.402 19.973 1.00 1.00 H new ATOM 0 HA LEU A 48 39.604 14.048 20.733 1.00 1.00 H new ATOM 0 HB2 LEU A 48 38.016 15.995 19.023 1.00 1.00 H new ATOM 0 HB3 LEU A 48 39.654 16.379 19.515 1.00 1.00 H new ATOM 0 HG LEU A 48 39.488 15.207 17.275 1.00 1.00 H new ATOM 0 HD11 LEU A 48 41.333 13.609 17.713 1.00 1.00 H new ATOM 0 HD12 LEU A 48 41.583 15.139 18.587 1.00 1.00 H new ATOM 0 HD13 LEU A 48 40.998 13.702 19.459 1.00 1.00 H new ATOM 0 HD21 LEU A 48 39.032 12.755 17.317 1.00 1.00 H new ATOM 0 HD22 LEU A 48 38.669 12.858 19.056 1.00 1.00 H new ATOM 0 HD23 LEU A 48 37.619 13.681 17.878 1.00 1.00 H new ATOM 702 N VAL A 49 37.535 16.158 22.145 1.00 1.00 N ATOM 703 CA VAL A 49 37.373 17.066 23.274 1.00 1.00 C ATOM 704 C VAL A 49 37.470 16.302 24.592 1.00 1.00 C ATOM 705 O VAL A 49 36.941 16.738 25.615 1.00 1.00 O ATOM 706 CB VAL A 49 36.016 17.769 23.184 1.00 1.00 C ATOM 707 CG1 VAL A 49 34.896 16.729 23.259 1.00 1.00 C ATOM 708 CG2 VAL A 49 35.867 18.759 24.344 1.00 1.00 C ATOM 0 H VAL A 49 36.671 15.933 21.652 1.00 1.00 H new ATOM 0 HA VAL A 49 38.170 17.809 23.240 1.00 1.00 H new ATOM 0 HB VAL A 49 35.953 18.308 22.238 1.00 1.00 H new ATOM 0 HG11 VAL A 49 33.930 17.230 23.195 1.00 1.00 H new ATOM 0 HG12 VAL A 49 34.996 16.026 22.432 1.00 1.00 H new ATOM 0 HG13 VAL A 49 34.963 16.189 24.204 1.00 1.00 H new ATOM 0 HG21 VAL A 49 34.900 19.257 24.276 1.00 1.00 H new ATOM 0 HG22 VAL A 49 35.933 18.223 25.291 1.00 1.00 H new ATOM 0 HG23 VAL A 49 36.662 19.503 24.292 1.00 1.00 H new ATOM 718 N LEU A 50 38.150 15.160 24.558 1.00 1.00 N ATOM 719 CA LEU A 50 38.314 14.341 25.755 1.00 1.00 C ATOM 720 C LEU A 50 39.762 13.881 25.893 1.00 1.00 C ATOM 721 O LEU A 50 40.336 13.929 26.981 1.00 1.00 O ATOM 722 CB LEU A 50 37.395 13.120 25.682 1.00 1.00 C ATOM 723 CG LEU A 50 35.945 13.556 25.909 1.00 1.00 C ATOM 724 CD1 LEU A 50 35.041 12.877 24.879 1.00 1.00 C ATOM 725 CD2 LEU A 50 35.507 13.148 27.318 1.00 1.00 C ATOM 0 H LEU A 50 38.594 14.782 23.721 1.00 1.00 H new ATOM 0 HA LEU A 50 38.050 14.943 26.624 1.00 1.00 H new ATOM 0 HB2 LEU A 50 37.492 12.636 24.710 1.00 1.00 H new ATOM 0 HB3 LEU A 50 37.687 12.387 26.434 1.00 1.00 H new ATOM 0 HG LEU A 50 35.869 14.638 25.802 1.00 1.00 H new ATOM 0 HD11 LEU A 50 34.009 13.187 25.040 1.00 1.00 H new ATOM 0 HD12 LEU A 50 35.354 13.164 23.875 1.00 1.00 H new ATOM 0 HD13 LEU A 50 35.116 11.795 24.987 1.00 1.00 H new ATOM 0 HD21 LEU A 50 34.475 13.457 27.482 1.00 1.00 H new ATOM 0 HD22 LEU A 50 35.583 12.066 27.423 1.00 1.00 H new ATOM 0 HD23 LEU A 50 36.151 13.630 28.053 1.00 1.00 H new ATOM 737 N TRP A 51 40.347 13.439 24.785 1.00 1.00 N ATOM 738 CA TRP A 51 41.728 12.976 24.795 1.00 1.00 C ATOM 739 C TRP A 51 42.681 14.147 24.584 1.00 1.00 C ATOM 740 O TRP A 51 43.443 14.509 25.479 1.00 1.00 O ATOM 741 CB TRP A 51 41.941 11.937 23.692 1.00 1.00 C ATOM 742 CG TRP A 51 43.355 12.002 23.213 1.00 1.00 C ATOM 743 CD1 TRP A 51 44.436 11.606 23.923 1.00 1.00 C ATOM 744 CD2 TRP A 51 43.860 12.486 21.934 1.00 1.00 C ATOM 745 NE1 TRP A 51 45.572 11.815 23.162 1.00 1.00 N ATOM 746 CE2 TRP A 51 45.269 12.355 21.928 1.00 1.00 C ATOM 747 CE3 TRP A 51 43.238 13.019 20.791 1.00 1.00 C ATOM 748 CZ2 TRP A 51 46.035 12.741 20.827 1.00 1.00 C ATOM 749 CZ3 TRP A 51 44.007 13.408 19.681 1.00 1.00 C ATOM 750 CH2 TRP A 51 45.402 13.270 19.699 1.00 1.00 C ATOM 0 H TRP A 51 39.889 13.392 23.875 1.00 1.00 H new ATOM 0 HA TRP A 51 41.934 12.521 25.764 1.00 1.00 H new ATOM 0 HB2 TRP A 51 41.719 10.939 24.070 1.00 1.00 H new ATOM 0 HB3 TRP A 51 41.256 12.124 22.865 1.00 1.00 H new ATOM 0 HD1 TRP A 51 44.416 11.194 24.921 1.00 1.00 H new ATOM 0 HE1 TRP A 51 46.518 11.597 23.474 1.00 1.00 H new ATOM 0 HE3 TRP A 51 42.164 13.130 20.766 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 47.109 12.632 20.847 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 43.520 13.816 18.808 1.00 1.00 H new ATOM 0 HH2 TRP A 51 45.987 13.572 18.843 1.00 1.00 H new ATOM 761 N THR A 52 42.630 14.737 23.394 1.00 1.00 N ATOM 762 CA THR A 52 43.493 15.870 23.076 1.00 1.00 C ATOM 763 C THR A 52 43.495 16.878 24.221 1.00 1.00 C ATOM 764 O THR A 52 44.373 17.736 24.304 1.00 1.00 O ATOM 765 CB THR A 52 43.009 16.549 21.792 1.00 1.00 C ATOM 766 OG1 THR A 52 43.377 15.757 20.673 1.00 1.00 O ATOM 767 CG2 THR A 52 43.648 17.934 21.673 1.00 1.00 C ATOM 0 H THR A 52 42.006 14.453 22.639 1.00 1.00 H new ATOM 0 HA THR A 52 44.509 15.502 22.930 1.00 1.00 H new ATOM 0 HB THR A 52 41.924 16.654 21.822 1.00 1.00 H new ATOM 0 HG1 THR A 52 43.840 14.950 20.981 1.00 1.00 H new ATOM 0 HG21 THR A 52 43.303 18.417 20.759 1.00 1.00 H new ATOM 0 HG22 THR A 52 43.364 18.541 22.533 1.00 1.00 H new ATOM 0 HG23 THR A 52 44.733 17.833 21.643 1.00 1.00 H new ATOM 775 N VAL A 53 42.505 16.768 25.101 1.00 1.00 N ATOM 776 CA VAL A 53 42.402 17.675 26.239 1.00 1.00 C ATOM 777 C VAL A 53 43.307 17.211 27.375 1.00 1.00 C ATOM 778 O VAL A 53 43.862 18.026 28.113 1.00 1.00 O ATOM 779 CB VAL A 53 40.955 17.737 26.727 1.00 1.00 C ATOM 780 CG1 VAL A 53 40.924 18.228 28.176 1.00 1.00 C ATOM 781 CG2 VAL A 53 40.161 18.705 25.845 1.00 1.00 C ATOM 0 H VAL A 53 41.768 16.065 25.049 1.00 1.00 H new ATOM 0 HA VAL A 53 42.719 18.668 25.920 1.00 1.00 H new ATOM 0 HB VAL A 53 40.511 16.743 26.671 1.00 1.00 H new ATOM 0 HG11 VAL A 53 39.892 18.272 28.523 1.00 1.00 H new ATOM 0 HG12 VAL A 53 41.490 17.541 28.805 1.00 1.00 H new ATOM 0 HG13 VAL A 53 41.369 19.222 28.233 1.00 1.00 H new ATOM 0 HG21 VAL A 53 39.129 18.750 26.192 1.00 1.00 H new ATOM 0 HG22 VAL A 53 40.607 19.698 25.902 1.00 1.00 H new ATOM 0 HG23 VAL A 53 40.182 18.357 24.812 1.00 1.00 H new ATOM 791 N PHE A 54 43.451 15.897 27.511 1.00 1.00 N ATOM 792 CA PHE A 54 44.291 15.333 28.561 1.00 1.00 C ATOM 793 C PHE A 54 45.629 16.062 28.630 1.00 1.00 C ATOM 794 O PHE A 54 46.120 16.377 29.714 1.00 1.00 O ATOM 795 CB PHE A 54 44.530 13.845 28.296 1.00 1.00 C ATOM 796 CG PHE A 54 44.806 13.138 29.601 1.00 1.00 C ATOM 797 CD1 PHE A 54 46.106 13.104 30.118 1.00 1.00 C ATOM 798 CD2 PHE A 54 43.761 12.514 30.294 1.00 1.00 C ATOM 799 CE1 PHE A 54 46.362 12.448 31.327 1.00 1.00 C ATOM 800 CE2 PHE A 54 44.017 11.857 31.503 1.00 1.00 C ATOM 801 CZ PHE A 54 45.317 11.824 32.020 1.00 1.00 C ATOM 0 H PHE A 54 43.000 15.206 26.911 1.00 1.00 H new ATOM 0 HA PHE A 54 43.777 15.454 29.514 1.00 1.00 H new ATOM 0 HB2 PHE A 54 43.658 13.407 27.810 1.00 1.00 H new ATOM 0 HB3 PHE A 54 45.372 13.717 27.616 1.00 1.00 H new ATOM 0 HD1 PHE A 54 46.912 13.584 29.583 1.00 1.00 H new ATOM 0 HD2 PHE A 54 42.758 12.540 29.895 1.00 1.00 H new ATOM 0 HE1 PHE A 54 47.365 12.423 31.726 1.00 1.00 H new ATOM 0 HE2 PHE A 54 43.211 11.375 32.037 1.00 1.00 H new ATOM 0 HZ PHE A 54 45.514 11.317 32.953 1.00 1.00 H new ATOM 811 N ARG A 55 46.215 16.327 27.466 1.00 1.00 N ATOM 812 CA ARG A 55 47.497 17.022 27.411 1.00 1.00 C ATOM 813 C ARG A 55 47.291 18.531 27.494 1.00 1.00 C ATOM 814 O ARG A 55 48.073 19.240 28.128 1.00 1.00 O ATOM 815 CB ARG A 55 48.235 16.678 26.113 1.00 1.00 C ATOM 816 CG ARG A 55 47.250 16.109 25.085 1.00 1.00 C ATOM 817 CD ARG A 55 46.869 14.671 25.455 1.00 1.00 C ATOM 818 NE ARG A 55 47.404 13.739 24.464 1.00 1.00 N ATOM 819 CZ ARG A 55 48.619 13.213 24.585 1.00 1.00 C ATOM 820 NH1 ARG A 55 49.366 13.523 25.610 1.00 1.00 N ATOM 821 NH2 ARG A 55 49.065 12.388 23.677 1.00 1.00 N ATOM 0 H ARG A 55 45.828 16.074 26.557 1.00 1.00 H new ATOM 0 HA ARG A 55 48.096 16.697 28.262 1.00 1.00 H new ATOM 0 HB2 ARG A 55 48.717 17.569 25.712 1.00 1.00 H new ATOM 0 HB3 ARG A 55 49.023 15.952 26.314 1.00 1.00 H new ATOM 0 HG2 ARG A 55 46.356 16.731 25.045 1.00 1.00 H new ATOM 0 HG3 ARG A 55 47.698 16.130 24.091 1.00 1.00 H new ATOM 0 HD2 ARG A 55 47.258 14.426 26.443 1.00 1.00 H new ATOM 0 HD3 ARG A 55 45.784 14.576 25.507 1.00 1.00 H new ATOM 0 HE ARG A 55 46.831 13.486 23.659 1.00 1.00 H new ATOM 0 HH11 ARG A 55 49.017 14.169 26.318 1.00 1.00 H new ATOM 0 HH12 ARG A 55 50.298 13.119 25.702 1.00 1.00 H new ATOM 0 HH21 ARG A 55 48.481 12.148 22.876 1.00 1.00 H new ATOM 0 HH22 ARG A 55 49.997 11.984 23.769 1.00 1.00 H new ATOM 835 N LYS A 56 46.236 19.014 26.847 1.00 1.00 N ATOM 836 CA LYS A 56 45.937 20.442 26.853 1.00 1.00 C ATOM 837 C LYS A 56 45.613 20.916 28.266 1.00 1.00 C ATOM 838 O LYS A 56 45.284 22.083 28.478 1.00 1.00 O ATOM 839 CB LYS A 56 44.749 20.729 25.932 1.00 1.00 C ATOM 840 CG LYS A 56 44.942 22.089 25.257 1.00 1.00 C ATOM 841 CD LYS A 56 45.858 21.933 24.040 1.00 1.00 C ATOM 842 CE LYS A 56 45.007 21.762 22.780 1.00 1.00 C ATOM 843 NZ LYS A 56 43.910 20.789 23.049 1.00 1.00 N ATOM 0 H LYS A 56 45.578 18.444 26.316 1.00 1.00 H new ATOM 0 HA LYS A 56 46.815 20.980 26.494 1.00 1.00 H new ATOM 0 HB2 LYS A 56 44.662 19.946 25.178 1.00 1.00 H new ATOM 0 HB3 LYS A 56 43.822 20.724 26.505 1.00 1.00 H new ATOM 0 HG2 LYS A 56 43.978 22.494 24.950 1.00 1.00 H new ATOM 0 HG3 LYS A 56 45.375 22.798 25.962 1.00 1.00 H new ATOM 0 HD2 LYS A 56 46.501 22.807 23.941 1.00 1.00 H new ATOM 0 HD3 LYS A 56 46.511 21.070 24.171 1.00 1.00 H new ATOM 0 HE2 LYS A 56 44.590 22.722 22.477 1.00 1.00 H new ATOM 0 HE3 LYS A 56 45.626 21.409 21.955 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 43.426 20.556 22.158 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 44.309 19.922 23.463 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 43.229 21.209 23.713 1.00 1.00 H new ATOM 857 N LYS A 57 45.709 20.005 29.229 1.00 1.00 N ATOM 858 CA LYS A 57 45.424 20.342 30.619 1.00 1.00 C ATOM 859 C LYS A 57 46.014 21.704 30.971 1.00 1.00 C ATOM 860 O LYS A 57 45.488 22.418 31.824 1.00 1.00 O ATOM 861 CB LYS A 57 46.009 19.275 31.546 1.00 1.00 C ATOM 862 CG LYS A 57 45.220 19.251 32.857 1.00 1.00 C ATOM 863 CD LYS A 57 45.865 18.254 33.822 1.00 1.00 C ATOM 864 CE LYS A 57 44.864 17.883 34.918 1.00 1.00 C ATOM 865 NZ LYS A 57 44.504 19.101 35.696 1.00 1.00 N ATOM 0 H LYS A 57 45.980 19.034 29.074 1.00 1.00 H new ATOM 0 HA LYS A 57 44.343 20.382 30.749 1.00 1.00 H new ATOM 0 HB2 LYS A 57 45.967 18.298 31.066 1.00 1.00 H new ATOM 0 HB3 LYS A 57 47.059 19.487 31.745 1.00 1.00 H new ATOM 0 HG2 LYS A 57 45.203 20.246 33.302 1.00 1.00 H new ATOM 0 HG3 LYS A 57 44.184 18.970 32.666 1.00 1.00 H new ATOM 0 HD2 LYS A 57 46.178 17.360 33.283 1.00 1.00 H new ATOM 0 HD3 LYS A 57 46.761 18.688 34.265 1.00 1.00 H new ATOM 0 HE2 LYS A 57 43.970 17.444 34.475 1.00 1.00 H new ATOM 0 HE3 LYS A 57 45.295 17.131 35.579 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 44.006 18.823 36.565 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 45.369 19.622 35.944 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 43.886 19.709 35.122 1.00 1.00 H new ATOM 879 N GLY A 58 47.110 22.058 30.308 1.00 1.00 N ATOM 880 CA GLY A 58 47.763 23.338 30.559 1.00 1.00 C ATOM 881 C GLY A 58 48.185 23.456 32.019 1.00 1.00 C ATOM 882 O GLY A 58 49.192 22.880 32.433 1.00 1.00 O ATOM 0 H GLY A 58 47.562 21.482 29.598 1.00 1.00 H new ATOM 0 HA2 GLY A 58 48.636 23.438 29.915 1.00 1.00 H new ATOM 0 HA3 GLY A 58 47.085 24.153 30.305 1.00 1.00 H new ATOM 886 N HIS A 59 47.410 24.207 32.795 1.00 1.00 N ATOM 887 CA HIS A 59 47.715 24.394 34.209 1.00 1.00 C ATOM 888 C HIS A 59 49.209 24.617 34.410 1.00 1.00 C ATOM 889 O HIS A 59 49.693 25.748 34.351 1.00 1.00 O ATOM 890 CB HIS A 59 47.268 23.167 35.007 1.00 1.00 C ATOM 891 CG HIS A 59 45.843 23.350 35.453 1.00 1.00 C ATOM 892 ND1 HIS A 59 45.513 24.034 36.613 1.00 1.00 N ATOM 893 CD2 HIS A 59 44.651 22.946 34.904 1.00 1.00 C ATOM 894 CE1 HIS A 59 44.172 24.020 36.724 1.00 1.00 C ATOM 895 NE2 HIS A 59 43.597 23.370 35.709 1.00 1.00 N ATOM 0 H HIS A 59 46.573 24.692 32.472 1.00 1.00 H new ATOM 0 HA HIS A 59 47.177 25.273 34.564 1.00 1.00 H new ATOM 0 HB2 HIS A 59 47.356 22.270 34.394 1.00 1.00 H new ATOM 0 HB3 HIS A 59 47.916 23.027 35.872 1.00 1.00 H new ATOM 0 HD2 HIS A 59 44.547 22.385 33.987 1.00 1.00 H new ATOM 0 HE1 HIS A 59 43.627 24.479 37.536 1.00 1.00 H new ATOM 0 HE2 HIS A 59 42.600 23.217 35.556 1.00 1.00 H new ATOM 903 N HIS A 60 49.938 23.532 34.649 1.00 1.00 N ATOM 904 CA HIS A 60 51.379 23.621 34.857 1.00 1.00 C ATOM 905 C HIS A 60 52.022 22.242 34.755 1.00 1.00 C ATOM 906 O HIS A 60 53.193 22.118 34.395 1.00 1.00 O ATOM 907 CB HIS A 60 51.672 24.222 36.233 1.00 1.00 C ATOM 908 CG HIS A 60 52.948 25.016 36.174 1.00 1.00 C ATOM 909 ND1 HIS A 60 53.951 24.734 35.260 1.00 1.00 N ATOM 910 CD2 HIS A 60 53.398 26.085 36.907 1.00 1.00 C ATOM 911 CE1 HIS A 60 54.946 25.616 35.464 1.00 1.00 C ATOM 912 NE2 HIS A 60 54.661 26.463 36.458 1.00 1.00 N ATOM 0 H HIS A 60 49.558 22.587 34.703 1.00 1.00 H new ATOM 0 HA HIS A 60 51.799 24.263 34.083 1.00 1.00 H new ATOM 0 HB2 HIS A 60 50.847 24.863 36.545 1.00 1.00 H new ATOM 0 HB3 HIS A 60 51.759 23.430 36.976 1.00 1.00 H new ATOM 0 HD1 HIS A 60 53.937 23.992 34.560 1.00 1.00 H new ATOM 0 HD2 HIS A 60 52.855 26.561 37.710 1.00 1.00 H new ATOM 0 HE1 HIS A 60 55.863 25.637 34.894 1.00 1.00 H new ATOM 920 N HIS A 61 51.250 21.209 35.073 1.00 1.00 N ATOM 921 CA HIS A 61 51.756 19.842 35.013 1.00 1.00 C ATOM 922 C HIS A 61 52.957 19.674 35.938 1.00 1.00 C ATOM 923 O HIS A 61 52.932 20.109 37.089 1.00 1.00 O ATOM 924 CB HIS A 61 52.161 19.499 33.579 1.00 1.00 C ATOM 925 CG HIS A 61 52.277 18.006 33.434 1.00 1.00 C ATOM 926 ND1 HIS A 61 53.407 17.399 32.909 1.00 1.00 N ATOM 927 CD2 HIS A 61 51.413 16.984 33.742 1.00 1.00 C ATOM 928 CE1 HIS A 61 53.195 16.070 32.916 1.00 1.00 C ATOM 929 NE2 HIS A 61 51.994 15.764 33.413 1.00 1.00 N ATOM 0 H HIS A 61 50.278 21.290 35.373 1.00 1.00 H new ATOM 0 HA HIS A 61 50.965 19.166 35.338 1.00 1.00 H new ATOM 0 HB2 HIS A 61 51.422 19.887 32.878 1.00 1.00 H new ATOM 0 HB3 HIS A 61 53.111 19.974 33.335 1.00 1.00 H new ATOM 0 HD1 HIS A 61 54.247 17.873 32.577 1.00 1.00 H new ATOM 0 HD2 HIS A 61 50.431 17.109 34.174 1.00 1.00 H new ATOM 0 HE1 HIS A 61 53.909 15.340 32.563 1.00 1.00 H new ATOM 937 N HIS A 62 54.007 19.041 35.426 1.00 1.00 N ATOM 938 CA HIS A 62 55.213 18.821 36.215 1.00 1.00 C ATOM 939 C HIS A 62 55.886 20.149 36.547 1.00 1.00 C ATOM 940 O HIS A 62 55.693 21.145 35.849 1.00 1.00 O ATOM 941 CB HIS A 62 56.189 17.931 35.443 1.00 1.00 C ATOM 942 CG HIS A 62 56.634 18.642 34.195 1.00 1.00 C ATOM 943 ND1 HIS A 62 56.082 18.370 32.952 1.00 1.00 N ATOM 944 CD2 HIS A 62 57.577 19.616 33.979 1.00 1.00 C ATOM 945 CE1 HIS A 62 56.691 19.165 32.054 1.00 1.00 C ATOM 946 NE2 HIS A 62 57.612 19.945 32.628 1.00 1.00 N ATOM 0 H HIS A 62 54.048 18.674 34.475 1.00 1.00 H new ATOM 0 HA HIS A 62 54.930 18.327 37.145 1.00 1.00 H new ATOM 0 HB2 HIS A 62 57.051 17.692 36.066 1.00 1.00 H new ATOM 0 HB3 HIS A 62 55.711 16.986 35.185 1.00 1.00 H new ATOM 0 HD2 HIS A 62 58.198 20.060 34.743 1.00 1.00 H new ATOM 0 HE1 HIS A 62 56.464 19.172 30.998 1.00 1.00 H new ATOM 0 HE2 HIS A 62 58.212 20.633 32.173 1.00 1.00 H new ATOM 954 N HIS A 63 56.676 20.156 37.616 1.00 1.00 N ATOM 955 CA HIS A 63 57.373 21.368 38.031 1.00 1.00 C ATOM 956 C HIS A 63 58.539 21.027 38.953 1.00 1.00 C ATOM 957 O HIS A 63 58.645 21.559 40.057 1.00 1.00 O ATOM 958 CB HIS A 63 56.405 22.306 38.755 1.00 1.00 C ATOM 959 CG HIS A 63 55.950 21.664 40.037 1.00 1.00 C ATOM 960 ND1 HIS A 63 55.686 20.307 40.131 1.00 1.00 N ATOM 961 CD2 HIS A 63 55.709 22.181 41.285 1.00 1.00 C ATOM 962 CE1 HIS A 63 55.304 20.055 41.396 1.00 1.00 C ATOM 963 NE2 HIS A 63 55.300 21.163 42.143 1.00 1.00 N ATOM 0 H HIS A 63 56.849 19.343 38.207 1.00 1.00 H new ATOM 0 HA HIS A 63 57.761 21.863 37.141 1.00 1.00 H new ATOM 0 HB2 HIS A 63 56.893 23.258 38.965 1.00 1.00 H new ATOM 0 HB3 HIS A 63 55.546 22.522 38.119 1.00 1.00 H new ATOM 0 HD2 HIS A 63 55.820 23.219 41.560 1.00 1.00 H new ATOM 0 HE1 HIS A 63 55.033 19.076 41.763 1.00 1.00 H new ATOM 0 HE2 HIS A 63 55.051 21.245 43.129 1.00 1.00 H new ATOM 971 N HIS A 64 59.411 20.136 38.492 1.00 1.00 N ATOM 972 CA HIS A 64 60.566 19.731 39.285 1.00 1.00 C ATOM 973 C HIS A 64 61.257 20.950 39.886 1.00 1.00 C ATOM 974 O HIS A 64 61.713 20.853 41.013 1.00 1.00 O ATOM 975 CB HIS A 64 61.556 18.960 38.409 1.00 1.00 C ATOM 976 CG HIS A 64 61.383 17.484 38.637 1.00 1.00 C ATOM 977 ND1 HIS A 64 62.307 16.732 39.346 1.00 1.00 N ATOM 978 CD2 HIS A 64 60.399 16.606 38.256 1.00 1.00 C ATOM 979 CE1 HIS A 64 61.865 15.462 39.371 1.00 1.00 C ATOM 980 NE2 HIS A 64 60.706 15.329 38.720 1.00 1.00 N ATOM 981 OXT HIS A 64 61.321 21.964 39.209 1.00 1.00 O ATOM 0 H HIS A 64 59.341 19.684 37.580 1.00 1.00 H new ATOM 0 HA HIS A 64 60.220 19.088 40.095 1.00 1.00 H new ATOM 0 HB2 HIS A 64 61.391 19.198 37.358 1.00 1.00 H new ATOM 0 HB3 HIS A 64 62.577 19.258 38.647 1.00 1.00 H new ATOM 0 HD2 HIS A 64 59.521 16.866 37.684 1.00 1.00 H new ATOM 0 HE1 HIS A 64 62.384 14.649 39.858 1.00 1.00 H new ATOM 0 HE2 HIS A 64 60.163 14.476 38.591 1.00 1.00 H new TER 989 HIS A 64