USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=20 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 -158:sc=-0.000521 (180deg=-0.716) USER MOD Single : A 1 MET N :NH3+ -151:sc= -0.244 (180deg=-1.06) USER MOD Single : A 9 ASN : amide:sc= 0.557 K(o=0.56,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 : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.167 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.873 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0152 USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= -0.0263 (180deg=-0.434) USER MOD Single : A 26 SER OG : rot 10:sc= -0.268! USER MOD Single : A 27 SER OG : rot 180:sc= 0.165 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -167:sc= -0.0886 (180deg=-0.395) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.204 X(o=0.2,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.472 USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= -0.0324 (180deg=-0.293) USER MOD Single : A 57 LYS NZ :NH3+ -130:sc= -1.41 (180deg=-3.64!) USER MOD Single : A 59 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.025) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 62 HIS : no HE2:sc= -3.06! C(o=-3.1!,f=-6.3!) USER MOD Single : A 63 HIS : no HE2:sc= -2.23! C(o=-2.2!,f=-6.2!) USER MOD Single : A 64 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 82.455 4.722 7.578 1.00 1.00 N ATOM 2 CA MET A 1 81.231 4.494 6.759 1.00 1.00 C ATOM 3 C MET A 1 81.338 3.146 6.055 1.00 1.00 C ATOM 4 O MET A 1 81.197 3.059 4.835 1.00 1.00 O ATOM 5 CB MET A 1 81.095 5.614 5.726 1.00 1.00 C ATOM 6 CG MET A 1 81.457 6.953 6.373 1.00 1.00 C ATOM 7 SD MET A 1 80.528 8.282 5.571 1.00 1.00 S ATOM 8 CE MET A 1 81.079 7.955 3.879 1.00 1.00 C ATOM 0 H1 MET A 1 82.220 5.322 8.394 1.00 1.00 H new ATOM 0 H2 MET A 1 82.823 3.809 7.914 1.00 1.00 H new ATOM 0 H3 MET A 1 83.178 5.194 6.998 1.00 1.00 H new ATOM 0 HA MET A 1 80.351 4.493 7.403 1.00 1.00 H new ATOM 0 HB2 MET A 1 81.749 5.420 4.876 1.00 1.00 H new ATOM 0 HB3 MET A 1 80.075 5.647 5.342 1.00 1.00 H new ATOM 0 HG2 MET A 1 81.229 6.927 7.439 1.00 1.00 H new ATOM 0 HG3 MET A 1 82.528 7.136 6.280 1.00 1.00 H new ATOM 0 HE1 MET A 1 80.958 8.855 3.276 1.00 1.00 H new ATOM 0 HE2 MET A 1 82.129 7.663 3.888 1.00 1.00 H new ATOM 0 HE3 MET A 1 80.482 7.149 3.451 1.00 1.00 H new ATOM 20 N GLU A 2 81.588 2.095 6.831 1.00 1.00 N ATOM 21 CA GLU A 2 81.711 0.756 6.269 1.00 1.00 C ATOM 22 C GLU A 2 80.368 0.034 6.303 1.00 1.00 C ATOM 23 O GLU A 2 80.105 -0.765 7.202 1.00 1.00 O ATOM 24 CB GLU A 2 82.746 -0.048 7.060 1.00 1.00 C ATOM 25 CG GLU A 2 83.991 0.809 7.293 1.00 1.00 C ATOM 26 CD GLU A 2 85.192 -0.085 7.582 1.00 1.00 C ATOM 27 OE1 GLU A 2 85.330 -0.508 8.718 1.00 1.00 O ATOM 28 OE2 GLU A 2 85.957 -0.332 6.665 1.00 1.00 O ATOM 0 H GLU A 2 81.708 2.145 7.843 1.00 1.00 H new ATOM 0 HA GLU A 2 82.035 0.846 5.232 1.00 1.00 H new ATOM 0 HB2 GLU A 2 82.325 -0.363 8.015 1.00 1.00 H new ATOM 0 HB3 GLU A 2 83.012 -0.954 6.515 1.00 1.00 H new ATOM 0 HG2 GLU A 2 84.188 1.425 6.416 1.00 1.00 H new ATOM 0 HG3 GLU A 2 83.824 1.489 8.128 1.00 1.00 H new ATOM 35 N GLU A 3 79.522 0.321 5.319 1.00 1.00 N ATOM 36 CA GLU A 3 78.209 -0.307 5.247 1.00 1.00 C ATOM 37 C GLU A 3 78.321 -1.812 5.463 1.00 1.00 C ATOM 38 O GLU A 3 79.315 -2.431 5.081 1.00 1.00 O ATOM 39 CB GLU A 3 77.573 -0.031 3.882 1.00 1.00 C ATOM 40 CG GLU A 3 77.341 1.472 3.721 1.00 1.00 C ATOM 41 CD GLU A 3 77.401 1.853 2.245 1.00 1.00 C ATOM 42 OE1 GLU A 3 78.497 2.060 1.751 1.00 1.00 O ATOM 43 OE2 GLU A 3 76.350 1.932 1.631 1.00 1.00 O ATOM 0 H GLU A 3 79.721 0.980 4.566 1.00 1.00 H new ATOM 0 HA GLU A 3 77.582 0.115 6.033 1.00 1.00 H new ATOM 0 HB2 GLU A 3 78.222 -0.397 3.086 1.00 1.00 H new ATOM 0 HB3 GLU A 3 76.628 -0.567 3.794 1.00 1.00 H new ATOM 0 HG2 GLU A 3 76.371 1.745 4.137 1.00 1.00 H new ATOM 0 HG3 GLU A 3 78.095 2.027 4.279 1.00 1.00 H new ATOM 50 N GLY A 4 77.298 -2.396 6.077 1.00 1.00 N ATOM 51 CA GLY A 4 77.294 -3.830 6.339 1.00 1.00 C ATOM 52 C GLY A 4 76.604 -4.140 7.664 1.00 1.00 C ATOM 53 O GLY A 4 77.015 -5.044 8.391 1.00 1.00 O ATOM 0 H GLY A 4 76.466 -1.902 6.401 1.00 1.00 H new ATOM 0 HA2 GLY A 4 76.784 -4.350 5.528 1.00 1.00 H new ATOM 0 HA3 GLY A 4 78.318 -4.202 6.362 1.00 1.00 H new ATOM 57 N GLY A 5 75.556 -3.383 7.971 1.00 1.00 N ATOM 58 CA GLY A 5 74.816 -3.587 9.211 1.00 1.00 C ATOM 59 C GLY A 5 74.377 -2.254 9.808 1.00 1.00 C ATOM 60 O GLY A 5 73.688 -1.469 9.157 1.00 1.00 O ATOM 0 H GLY A 5 75.202 -2.628 7.383 1.00 1.00 H new ATOM 0 HA2 GLY A 5 73.942 -4.210 9.020 1.00 1.00 H new ATOM 0 HA3 GLY A 5 75.439 -4.123 9.927 1.00 1.00 H new ATOM 64 N ASP A 6 74.782 -2.006 11.050 1.00 1.00 N ATOM 65 CA ASP A 6 74.426 -0.764 11.726 1.00 1.00 C ATOM 66 C ASP A 6 72.932 -0.480 11.587 1.00 1.00 C ATOM 67 O ASP A 6 72.470 0.620 11.888 1.00 1.00 O ATOM 68 CB ASP A 6 75.225 0.396 11.133 1.00 1.00 C ATOM 69 CG ASP A 6 75.385 1.503 12.170 1.00 1.00 C ATOM 70 OD1 ASP A 6 75.799 1.197 13.276 1.00 1.00 O ATOM 71 OD2 ASP A 6 75.089 2.640 11.843 1.00 1.00 O ATOM 0 H ASP A 6 75.353 -2.644 11.605 1.00 1.00 H new ATOM 0 HA ASP A 6 74.663 -0.869 12.785 1.00 1.00 H new ATOM 0 HB2 ASP A 6 76.205 0.045 10.809 1.00 1.00 H new ATOM 0 HB3 ASP A 6 74.717 0.784 10.250 1.00 1.00 H new ATOM 76 N PHE A 7 72.184 -1.481 11.133 1.00 1.00 N ATOM 77 CA PHE A 7 70.743 -1.328 10.962 1.00 1.00 C ATOM 78 C PHE A 7 70.137 -2.595 10.368 1.00 1.00 C ATOM 79 O PHE A 7 69.020 -2.577 9.851 1.00 1.00 O ATOM 80 CB PHE A 7 70.446 -0.140 10.043 1.00 1.00 C ATOM 81 CG PHE A 7 71.467 -0.094 8.932 1.00 1.00 C ATOM 82 CD1 PHE A 7 71.423 -1.040 7.902 1.00 1.00 C ATOM 83 CD2 PHE A 7 72.458 0.896 8.932 1.00 1.00 C ATOM 84 CE1 PHE A 7 72.370 -0.997 6.870 1.00 1.00 C ATOM 85 CE2 PHE A 7 73.405 0.939 7.901 1.00 1.00 C ATOM 86 CZ PHE A 7 73.361 -0.008 6.870 1.00 1.00 C ATOM 0 H PHE A 7 72.548 -2.399 10.879 1.00 1.00 H new ATOM 0 HA PHE A 7 70.299 -1.149 11.941 1.00 1.00 H new ATOM 0 HB2 PHE A 7 69.443 -0.231 9.626 1.00 1.00 H new ATOM 0 HB3 PHE A 7 70.471 0.789 10.613 1.00 1.00 H new ATOM 0 HD1 PHE A 7 70.659 -1.803 7.902 1.00 1.00 H new ATOM 0 HD2 PHE A 7 72.492 1.626 9.727 1.00 1.00 H new ATOM 0 HE1 PHE A 7 72.335 -1.727 6.075 1.00 1.00 H new ATOM 0 HE2 PHE A 7 74.169 1.702 7.901 1.00 1.00 H new ATOM 0 HZ PHE A 7 74.091 0.025 6.075 1.00 1.00 H new ATOM 96 N ASP A 8 70.880 -3.694 10.447 1.00 1.00 N ATOM 97 CA ASP A 8 70.404 -4.965 9.914 1.00 1.00 C ATOM 98 C ASP A 8 69.116 -5.390 10.611 1.00 1.00 C ATOM 99 O ASP A 8 69.122 -6.280 11.462 1.00 1.00 O ATOM 100 CB ASP A 8 71.471 -6.045 10.109 1.00 1.00 C ATOM 101 CG ASP A 8 72.085 -5.926 11.500 1.00 1.00 C ATOM 102 OD1 ASP A 8 71.476 -6.412 12.439 1.00 1.00 O ATOM 103 OD2 ASP A 8 73.156 -5.351 11.606 1.00 1.00 O ATOM 0 H ASP A 8 71.807 -3.731 10.871 1.00 1.00 H new ATOM 0 HA ASP A 8 70.204 -4.839 8.850 1.00 1.00 H new ATOM 0 HB2 ASP A 8 71.028 -7.033 9.981 1.00 1.00 H new ATOM 0 HB3 ASP A 8 72.247 -5.943 9.350 1.00 1.00 H new ATOM 108 N ASN A 9 68.011 -4.746 10.244 1.00 1.00 N ATOM 109 CA ASN A 9 66.720 -5.066 10.842 1.00 1.00 C ATOM 110 C ASN A 9 65.586 -4.714 9.884 1.00 1.00 C ATOM 111 O ASN A 9 64.514 -4.281 10.308 1.00 1.00 O ATOM 112 CB ASN A 9 66.544 -4.293 12.150 1.00 1.00 C ATOM 113 CG ASN A 9 65.773 -5.140 13.157 1.00 1.00 C ATOM 114 OD1 ASN A 9 66.309 -5.502 14.203 1.00 1.00 O ATOM 115 ND2 ASN A 9 64.539 -5.478 12.902 1.00 1.00 N ATOM 0 H ASN A 9 67.984 -4.006 9.542 1.00 1.00 H new ATOM 0 HA ASN A 9 66.690 -6.136 11.047 1.00 1.00 H new ATOM 0 HB2 ASN A 9 67.519 -4.026 12.558 1.00 1.00 H new ATOM 0 HB3 ASN A 9 66.011 -3.361 11.962 1.00 1.00 H new ATOM 0 HD21 ASN A 9 64.017 -6.044 13.571 1.00 1.00 H new ATOM 0 HD22 ASN A 9 64.097 -5.177 12.034 1.00 1.00 H new ATOM 122 N TYR A 10 65.829 -4.904 8.592 1.00 1.00 N ATOM 123 CA TYR A 10 64.820 -4.603 7.583 1.00 1.00 C ATOM 124 C TYR A 10 64.519 -3.108 7.554 1.00 1.00 C ATOM 125 O TYR A 10 64.863 -2.414 6.596 1.00 1.00 O ATOM 126 CB TYR A 10 63.535 -5.379 7.880 1.00 1.00 C ATOM 127 CG TYR A 10 63.885 -6.754 8.393 1.00 1.00 C ATOM 128 CD1 TYR A 10 64.385 -7.724 7.515 1.00 1.00 C ATOM 129 CD2 TYR A 10 63.710 -7.062 9.748 1.00 1.00 C ATOM 130 CE1 TYR A 10 64.709 -9.000 7.991 1.00 1.00 C ATOM 131 CE2 TYR A 10 64.035 -8.338 10.224 1.00 1.00 C ATOM 132 CZ TYR A 10 64.534 -9.307 9.345 1.00 1.00 C ATOM 133 OH TYR A 10 64.854 -10.565 9.815 1.00 1.00 O ATOM 0 H TYR A 10 66.709 -5.262 8.220 1.00 1.00 H new ATOM 0 HA TYR A 10 65.208 -4.902 6.609 1.00 1.00 H new ATOM 0 HB2 TYR A 10 62.937 -4.845 8.619 1.00 1.00 H new ATOM 0 HB3 TYR A 10 62.929 -5.459 6.977 1.00 1.00 H new ATOM 0 HD1 TYR A 10 64.521 -7.487 6.470 1.00 1.00 H new ATOM 0 HD2 TYR A 10 63.324 -6.315 10.426 1.00 1.00 H new ATOM 0 HE1 TYR A 10 65.094 -9.747 7.313 1.00 1.00 H new ATOM 0 HE2 TYR A 10 63.901 -8.575 11.269 1.00 1.00 H new ATOM 0 HH TYR A 10 64.674 -10.610 10.777 1.00 1.00 H new ATOM 143 N TYR A 11 63.877 -2.617 8.609 1.00 1.00 N ATOM 144 CA TYR A 11 63.535 -1.203 8.694 1.00 1.00 C ATOM 145 C TYR A 11 62.341 -0.885 7.800 1.00 1.00 C ATOM 146 O TYR A 11 62.480 -0.756 6.584 1.00 1.00 O ATOM 147 CB TYR A 11 64.734 -0.350 8.270 1.00 1.00 C ATOM 148 CG TYR A 11 64.722 0.949 9.037 1.00 1.00 C ATOM 149 CD1 TYR A 11 63.898 2.002 8.621 1.00 1.00 C ATOM 150 CD2 TYR A 11 65.538 1.104 10.164 1.00 1.00 C ATOM 151 CE1 TYR A 11 63.888 3.207 9.333 1.00 1.00 C ATOM 152 CE2 TYR A 11 65.528 2.310 10.876 1.00 1.00 C ATOM 153 CZ TYR A 11 64.703 3.361 10.461 1.00 1.00 C ATOM 154 OH TYR A 11 64.694 4.550 11.162 1.00 1.00 O ATOM 0 H TYR A 11 63.585 -3.174 9.412 1.00 1.00 H new ATOM 0 HA TYR A 11 63.272 -0.974 9.727 1.00 1.00 H new ATOM 0 HB2 TYR A 11 65.663 -0.888 8.460 1.00 1.00 H new ATOM 0 HB3 TYR A 11 64.693 -0.153 7.199 1.00 1.00 H new ATOM 0 HD1 TYR A 11 63.270 1.884 7.750 1.00 1.00 H new ATOM 0 HD2 TYR A 11 66.175 0.293 10.484 1.00 1.00 H new ATOM 0 HE1 TYR A 11 63.251 4.018 9.012 1.00 1.00 H new ATOM 0 HE2 TYR A 11 66.157 2.429 11.746 1.00 1.00 H new ATOM 0 HH TYR A 11 65.316 4.489 11.917 1.00 1.00 H new ATOM 164 N GLY A 12 61.167 -0.762 8.412 1.00 1.00 N ATOM 165 CA GLY A 12 59.954 -0.459 7.661 1.00 1.00 C ATOM 166 C GLY A 12 59.502 -1.667 6.847 1.00 1.00 C ATOM 167 O GLY A 12 58.363 -2.116 6.967 1.00 1.00 O ATOM 0 H GLY A 12 61.030 -0.866 9.417 1.00 1.00 H new ATOM 0 HA2 GLY A 12 59.161 -0.161 8.347 1.00 1.00 H new ATOM 0 HA3 GLY A 12 60.135 0.386 6.996 1.00 1.00 H new ATOM 171 N ALA A 13 60.402 -2.186 6.019 1.00 1.00 N ATOM 172 CA ALA A 13 60.085 -3.343 5.189 1.00 1.00 C ATOM 173 C ALA A 13 58.737 -3.156 4.503 1.00 1.00 C ATOM 174 O ALA A 13 57.935 -4.086 4.423 1.00 1.00 O ATOM 175 CB ALA A 13 60.050 -4.608 6.050 1.00 1.00 C ATOM 0 H ALA A 13 61.350 -1.827 5.905 1.00 1.00 H new ATOM 0 HA ALA A 13 60.857 -3.443 4.426 1.00 1.00 H new ATOM 0 HB1 ALA A 13 59.813 -5.468 5.424 1.00 1.00 H new ATOM 0 HB2 ALA A 13 61.023 -4.757 6.517 1.00 1.00 H new ATOM 0 HB3 ALA A 13 59.289 -4.501 6.823 1.00 1.00 H new ATOM 181 N ASP A 14 58.494 -1.946 4.008 1.00 1.00 N ATOM 182 CA ASP A 14 57.238 -1.648 3.330 1.00 1.00 C ATOM 183 C ASP A 14 56.058 -2.200 4.121 1.00 1.00 C ATOM 184 O ASP A 14 54.983 -2.438 3.568 1.00 1.00 O ATOM 185 CB ASP A 14 57.247 -2.257 1.926 1.00 1.00 C ATOM 186 CG ASP A 14 56.248 -1.527 1.035 1.00 1.00 C ATOM 187 OD1 ASP A 14 55.100 -1.941 1.001 1.00 1.00 O ATOM 188 OD2 ASP A 14 56.645 -0.566 0.398 1.00 1.00 O ATOM 0 H ASP A 14 59.145 -1.162 4.063 1.00 1.00 H new ATOM 0 HA ASP A 14 57.134 -0.566 3.255 1.00 1.00 H new ATOM 0 HB2 ASP A 14 58.247 -2.189 1.497 1.00 1.00 H new ATOM 0 HB3 ASP A 14 56.994 -3.316 1.978 1.00 1.00 H new ATOM 193 N ASN A 15 56.266 -2.404 5.418 1.00 1.00 N ATOM 194 CA ASN A 15 55.213 -2.929 6.277 1.00 1.00 C ATOM 195 C ASN A 15 54.474 -1.792 6.977 1.00 1.00 C ATOM 196 O ASN A 15 53.296 -1.916 7.312 1.00 1.00 O ATOM 197 CB ASN A 15 55.812 -3.870 7.323 1.00 1.00 C ATOM 198 CG ASN A 15 55.062 -5.198 7.321 1.00 1.00 C ATOM 199 OD1 ASN A 15 55.121 -5.944 6.343 1.00 1.00 O ATOM 200 ND2 ASN A 15 54.355 -5.539 8.363 1.00 1.00 N ATOM 0 H ASN A 15 57.148 -2.215 5.894 1.00 1.00 H new ATOM 0 HA ASN A 15 54.506 -3.479 5.656 1.00 1.00 H new ATOM 0 HB2 ASN A 15 56.868 -4.039 7.110 1.00 1.00 H new ATOM 0 HB3 ASN A 15 55.755 -3.412 8.311 1.00 1.00 H new ATOM 0 HD21 ASN A 15 53.850 -6.425 8.369 1.00 1.00 H new ATOM 0 HD22 ASN A 15 54.308 -4.920 9.172 1.00 1.00 H new ATOM 207 N GLN A 16 55.176 -0.684 7.194 1.00 1.00 N ATOM 208 CA GLN A 16 54.578 0.470 7.855 1.00 1.00 C ATOM 209 C GLN A 16 54.991 1.762 7.157 1.00 1.00 C ATOM 210 O GLN A 16 55.309 2.757 7.807 1.00 1.00 O ATOM 211 CB GLN A 16 55.016 0.518 9.319 1.00 1.00 C ATOM 212 CG GLN A 16 54.857 -0.869 9.946 1.00 1.00 C ATOM 213 CD GLN A 16 54.710 -0.743 11.459 1.00 1.00 C ATOM 214 OE1 GLN A 16 53.594 -0.663 11.972 1.00 1.00 O ATOM 215 NE2 GLN A 16 55.778 -0.722 12.209 1.00 1.00 N ATOM 0 H GLN A 16 56.152 -0.561 6.924 1.00 1.00 H new ATOM 0 HA GLN A 16 53.494 0.373 7.803 1.00 1.00 H new ATOM 0 HB2 GLN A 16 56.054 0.843 9.388 1.00 1.00 H new ATOM 0 HB3 GLN A 16 54.417 1.246 9.865 1.00 1.00 H new ATOM 0 HG2 GLN A 16 53.983 -1.368 9.528 1.00 1.00 H new ATOM 0 HG3 GLN A 16 55.722 -1.487 9.706 1.00 1.00 H new ATOM 0 HE21 GLN A 16 56.702 -0.788 11.782 1.00 1.00 H new ATOM 0 HE22 GLN A 16 55.688 -0.639 13.222 1.00 1.00 H new ATOM 224 N SER A 17 54.983 1.738 5.828 1.00 1.00 N ATOM 225 CA SER A 17 55.359 2.913 5.050 1.00 1.00 C ATOM 226 C SER A 17 54.487 3.034 3.804 1.00 1.00 C ATOM 227 O SER A 17 53.456 2.371 3.690 1.00 1.00 O ATOM 228 CB SER A 17 56.828 2.819 4.640 1.00 1.00 C ATOM 229 OG SER A 17 57.336 4.128 4.410 1.00 1.00 O ATOM 0 H SER A 17 54.722 0.924 5.271 1.00 1.00 H new ATOM 0 HA SER A 17 55.211 3.798 5.669 1.00 1.00 H new ATOM 0 HB2 SER A 17 57.405 2.325 5.422 1.00 1.00 H new ATOM 0 HB3 SER A 17 56.928 2.214 3.739 1.00 1.00 H new ATOM 0 HG SER A 17 58.279 4.072 4.148 1.00 1.00 H new ATOM 235 N GLU A 18 54.909 3.882 2.873 1.00 1.00 N ATOM 236 CA GLU A 18 54.159 4.080 1.638 1.00 1.00 C ATOM 237 C GLU A 18 53.892 2.744 0.952 1.00 1.00 C ATOM 238 O GLU A 18 54.675 2.301 0.111 1.00 1.00 O ATOM 239 CB GLU A 18 54.941 4.995 0.693 1.00 1.00 C ATOM 240 CG GLU A 18 54.836 6.442 1.179 1.00 1.00 C ATOM 241 CD GLU A 18 55.763 7.335 0.361 1.00 1.00 C ATOM 242 OE1 GLU A 18 56.703 6.810 -0.214 1.00 1.00 O ATOM 243 OE2 GLU A 18 55.520 8.529 0.321 1.00 1.00 O ATOM 0 H GLU A 18 55.760 4.440 2.948 1.00 1.00 H new ATOM 0 HA GLU A 18 53.204 4.544 1.885 1.00 1.00 H new ATOM 0 HB2 GLU A 18 55.986 4.688 0.655 1.00 1.00 H new ATOM 0 HB3 GLU A 18 54.547 4.911 -0.320 1.00 1.00 H new ATOM 0 HG2 GLU A 18 53.807 6.791 1.088 1.00 1.00 H new ATOM 0 HG3 GLU A 18 55.100 6.500 2.235 1.00 1.00 H new ATOM 250 N CYS A 19 52.784 2.109 1.315 1.00 1.00 N ATOM 251 CA CYS A 19 52.424 0.824 0.728 1.00 1.00 C ATOM 252 C CYS A 19 51.566 1.024 -0.517 1.00 1.00 C ATOM 253 O CYS A 19 51.924 0.581 -1.608 1.00 1.00 O ATOM 254 CB CYS A 19 51.657 -0.021 1.748 1.00 1.00 C ATOM 255 SG CYS A 19 51.159 -1.584 0.983 1.00 1.00 S ATOM 0 H CYS A 19 52.123 2.460 2.008 1.00 1.00 H new ATOM 0 HA CYS A 19 53.341 0.307 0.444 1.00 1.00 H new ATOM 0 HB2 CYS A 19 52.282 -0.213 2.620 1.00 1.00 H new ATOM 0 HB3 CYS A 19 50.779 0.521 2.098 1.00 1.00 H new ATOM 0 HG CYS A 19 50.509 -2.303 1.849 1.00 1.00 H new ATOM 261 N GLU A 20 50.432 1.696 -0.345 1.00 1.00 N ATOM 262 CA GLU A 20 49.528 1.951 -1.462 1.00 1.00 C ATOM 263 C GLU A 20 49.015 3.386 -1.419 1.00 1.00 C ATOM 264 O GLU A 20 48.192 3.786 -2.240 1.00 1.00 O ATOM 265 CB GLU A 20 48.345 0.982 -1.408 1.00 1.00 C ATOM 266 CG GLU A 20 48.863 -0.458 -1.399 1.00 1.00 C ATOM 267 CD GLU A 20 47.880 -1.368 -2.130 1.00 1.00 C ATOM 268 OE1 GLU A 20 46.729 -1.406 -1.729 1.00 1.00 O ATOM 269 OE2 GLU A 20 48.295 -2.013 -3.079 1.00 1.00 O ATOM 0 H GLU A 20 50.118 2.072 0.550 1.00 1.00 H new ATOM 0 HA GLU A 20 50.078 1.802 -2.391 1.00 1.00 H new ATOM 0 HB2 GLU A 20 47.748 1.170 -0.516 1.00 1.00 H new ATOM 0 HB3 GLU A 20 47.693 1.140 -2.267 1.00 1.00 H new ATOM 0 HG2 GLU A 20 49.841 -0.505 -1.878 1.00 1.00 H new ATOM 0 HG3 GLU A 20 48.994 -0.800 -0.372 1.00 1.00 H new ATOM 276 N TYR A 21 49.509 4.157 -0.454 1.00 1.00 N ATOM 277 CA TYR A 21 49.094 5.548 -0.314 1.00 1.00 C ATOM 278 C TYR A 21 49.942 6.452 -1.203 1.00 1.00 C ATOM 279 O TYR A 21 50.566 7.398 -0.726 1.00 1.00 O ATOM 280 CB TYR A 21 49.232 5.989 1.144 1.00 1.00 C ATOM 281 CG TYR A 21 48.797 4.865 2.054 1.00 1.00 C ATOM 282 CD1 TYR A 21 47.436 4.571 2.202 1.00 1.00 C ATOM 283 CD2 TYR A 21 49.755 4.119 2.751 1.00 1.00 C ATOM 284 CE1 TYR A 21 47.032 3.530 3.046 1.00 1.00 C ATOM 285 CE2 TYR A 21 49.351 3.078 3.595 1.00 1.00 C ATOM 286 CZ TYR A 21 47.990 2.783 3.743 1.00 1.00 C ATOM 287 OH TYR A 21 47.593 1.756 4.575 1.00 1.00 O ATOM 0 H TYR A 21 50.191 3.845 0.237 1.00 1.00 H new ATOM 0 HA TYR A 21 48.051 5.630 -0.621 1.00 1.00 H new ATOM 0 HB2 TYR A 21 50.265 6.263 1.356 1.00 1.00 H new ATOM 0 HB3 TYR A 21 48.623 6.875 1.326 1.00 1.00 H new ATOM 0 HD1 TYR A 21 46.698 5.148 1.665 1.00 1.00 H new ATOM 0 HD2 TYR A 21 50.805 4.347 2.638 1.00 1.00 H new ATOM 0 HE1 TYR A 21 45.982 3.303 3.160 1.00 1.00 H new ATOM 0 HE2 TYR A 21 50.090 2.502 4.133 1.00 1.00 H new ATOM 0 HH TYR A 21 48.382 1.340 4.981 1.00 1.00 H new ATOM 297 N THR A 22 49.959 6.151 -2.498 1.00 1.00 N ATOM 298 CA THR A 22 50.735 6.944 -3.446 1.00 1.00 C ATOM 299 C THR A 22 50.045 6.981 -4.806 1.00 1.00 C ATOM 300 O THR A 22 50.070 7.998 -5.498 1.00 1.00 O ATOM 301 CB THR A 22 52.137 6.349 -3.600 1.00 1.00 C ATOM 302 OG1 THR A 22 52.042 5.070 -4.211 1.00 1.00 O ATOM 303 CG2 THR A 22 52.792 6.213 -2.225 1.00 1.00 C ATOM 0 H THR A 22 49.449 5.371 -2.912 1.00 1.00 H new ATOM 0 HA THR A 22 50.811 7.961 -3.062 1.00 1.00 H new ATOM 0 HB THR A 22 52.744 7.006 -4.223 1.00 1.00 H new ATOM 0 HG1 THR A 22 52.939 4.688 -4.312 1.00 1.00 H new ATOM 0 HG21 THR A 22 53.790 5.789 -2.338 1.00 1.00 H new ATOM 0 HG22 THR A 22 52.866 7.195 -1.758 1.00 1.00 H new ATOM 0 HG23 THR A 22 52.188 5.557 -1.598 1.00 1.00 H new ATOM 311 N ASP A 23 49.434 5.862 -5.185 1.00 1.00 N ATOM 312 CA ASP A 23 48.745 5.776 -6.467 1.00 1.00 C ATOM 313 C ASP A 23 47.463 6.604 -6.448 1.00 1.00 C ATOM 314 O ASP A 23 47.340 7.592 -7.172 1.00 1.00 O ATOM 315 CB ASP A 23 48.407 4.317 -6.778 1.00 1.00 C ATOM 316 CG ASP A 23 47.665 4.227 -8.108 1.00 1.00 C ATOM 317 OD1 ASP A 23 47.623 5.224 -8.809 1.00 1.00 O ATOM 318 OD2 ASP A 23 47.151 3.161 -8.405 1.00 1.00 O ATOM 0 H ASP A 23 49.402 5.009 -4.627 1.00 1.00 H new ATOM 0 HA ASP A 23 49.405 6.171 -7.239 1.00 1.00 H new ATOM 0 HB2 ASP A 23 49.321 3.724 -6.821 1.00 1.00 H new ATOM 0 HB3 ASP A 23 47.793 3.899 -5.980 1.00 1.00 H new ATOM 323 N TRP A 24 46.509 6.192 -5.619 1.00 1.00 N ATOM 324 CA TRP A 24 45.238 6.902 -5.519 1.00 1.00 C ATOM 325 C TRP A 24 45.418 8.230 -4.791 1.00 1.00 C ATOM 326 O TRP A 24 44.673 8.546 -3.863 1.00 1.00 O ATOM 327 CB TRP A 24 44.217 6.040 -4.772 1.00 1.00 C ATOM 328 CG TRP A 24 44.577 5.985 -3.322 1.00 1.00 C ATOM 329 CD1 TRP A 24 45.651 5.338 -2.812 1.00 1.00 C ATOM 330 CD2 TRP A 24 43.885 6.586 -2.189 1.00 1.00 C ATOM 331 NE1 TRP A 24 45.662 5.505 -1.439 1.00 1.00 N ATOM 332 CE2 TRP A 24 44.593 6.266 -1.007 1.00 1.00 C ATOM 333 CE3 TRP A 24 42.722 7.370 -2.074 1.00 1.00 C ATOM 334 CZ2 TRP A 24 44.164 6.709 0.245 1.00 1.00 C ATOM 335 CZ3 TRP A 24 42.288 7.817 -0.816 1.00 1.00 C ATOM 336 CH2 TRP A 24 43.007 7.487 0.341 1.00 1.00 C ATOM 0 H TRP A 24 46.590 5.377 -5.011 1.00 1.00 H new ATOM 0 HA TRP A 24 44.876 7.103 -6.527 1.00 1.00 H new ATOM 0 HB2 TRP A 24 43.216 6.455 -4.894 1.00 1.00 H new ATOM 0 HB3 TRP A 24 44.198 5.034 -5.191 1.00 1.00 H new ATOM 0 HD1 TRP A 24 46.380 4.782 -3.383 1.00 1.00 H new ATOM 0 HE1 TRP A 24 46.373 5.114 -0.821 1.00 1.00 H new ATOM 0 HE3 TRP A 24 42.160 7.629 -2.959 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 44.722 6.452 1.133 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 41.395 8.419 -0.739 1.00 1.00 H new ATOM 0 HH2 TRP A 24 42.667 7.834 1.306 1.00 1.00 H new ATOM 347 N LYS A 25 46.408 9.006 -5.219 1.00 1.00 N ATOM 348 CA LYS A 25 46.671 10.300 -4.598 1.00 1.00 C ATOM 349 C LYS A 25 45.471 11.226 -4.763 1.00 1.00 C ATOM 350 O LYS A 25 45.491 12.371 -4.307 1.00 1.00 O ATOM 351 CB LYS A 25 47.906 10.943 -5.235 1.00 1.00 C ATOM 352 CG LYS A 25 48.853 11.429 -4.135 1.00 1.00 C ATOM 353 CD LYS A 25 49.503 10.227 -3.446 1.00 1.00 C ATOM 354 CE LYS A 25 49.329 10.350 -1.930 1.00 1.00 C ATOM 355 NZ LYS A 25 49.964 11.614 -1.460 1.00 1.00 N ATOM 0 H LYS A 25 47.036 8.765 -5.986 1.00 1.00 H new ATOM 0 HA LYS A 25 46.851 10.143 -3.535 1.00 1.00 H new ATOM 0 HB2 LYS A 25 48.415 10.223 -5.876 1.00 1.00 H new ATOM 0 HB3 LYS A 25 47.608 11.778 -5.869 1.00 1.00 H new ATOM 0 HG2 LYS A 25 49.621 12.075 -4.562 1.00 1.00 H new ATOM 0 HG3 LYS A 25 48.304 12.025 -3.406 1.00 1.00 H new ATOM 0 HD2 LYS A 25 49.049 9.302 -3.801 1.00 1.00 H new ATOM 0 HD3 LYS A 25 50.562 10.179 -3.698 1.00 1.00 H new ATOM 0 HE2 LYS A 25 48.270 10.345 -1.673 1.00 1.00 H new ATOM 0 HE3 LYS A 25 49.783 9.494 -1.430 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 50.306 11.489 -0.486 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 50.765 11.852 -2.080 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 49.265 12.384 -1.486 1.00 1.00 H new ATOM 369 N SER A 26 44.428 10.725 -5.415 1.00 1.00 N ATOM 370 CA SER A 26 43.223 11.518 -5.633 1.00 1.00 C ATOM 371 C SER A 26 42.089 10.638 -6.151 1.00 1.00 C ATOM 372 O SER A 26 42.157 10.114 -7.262 1.00 1.00 O ATOM 373 CB SER A 26 43.505 12.632 -6.641 1.00 1.00 C ATOM 374 OG SER A 26 44.188 13.694 -5.987 1.00 1.00 O ATOM 0 H SER A 26 44.391 9.781 -5.799 1.00 1.00 H new ATOM 0 HA SER A 26 42.923 11.957 -4.681 1.00 1.00 H new ATOM 0 HB2 SER A 26 44.108 12.249 -7.465 1.00 1.00 H new ATOM 0 HB3 SER A 26 42.571 12.995 -7.071 1.00 1.00 H new ATOM 0 HG SER A 26 44.452 13.408 -5.088 1.00 1.00 H new ATOM 380 N SER A 27 41.048 10.485 -5.340 1.00 1.00 N ATOM 381 CA SER A 27 39.905 9.668 -5.731 1.00 1.00 C ATOM 382 C SER A 27 39.257 10.230 -6.992 1.00 1.00 C ATOM 383 O SER A 27 38.315 9.647 -7.529 1.00 1.00 O ATOM 384 CB SER A 27 38.878 9.630 -4.600 1.00 1.00 C ATOM 385 OG SER A 27 39.453 10.186 -3.424 1.00 1.00 O ATOM 0 H SER A 27 40.972 10.911 -4.417 1.00 1.00 H new ATOM 0 HA SER A 27 40.256 8.656 -5.934 1.00 1.00 H new ATOM 0 HB2 SER A 27 37.987 10.191 -4.883 1.00 1.00 H new ATOM 0 HB3 SER A 27 38.563 8.603 -4.414 1.00 1.00 H new ATOM 0 HG SER A 27 38.796 10.165 -2.697 1.00 1.00 H new ATOM 391 N GLY A 28 39.771 11.365 -7.456 1.00 1.00 N ATOM 392 CA GLY A 28 39.240 12.005 -8.655 1.00 1.00 C ATOM 393 C GLY A 28 38.993 13.490 -8.413 1.00 1.00 C ATOM 394 O GLY A 28 38.059 14.070 -8.964 1.00 1.00 O ATOM 0 H GLY A 28 40.551 11.859 -7.022 1.00 1.00 H new ATOM 0 HA2 GLY A 28 39.940 11.878 -9.481 1.00 1.00 H new ATOM 0 HA3 GLY A 28 38.309 11.520 -8.949 1.00 1.00 H new ATOM 398 N ALA A 29 39.836 14.098 -7.583 1.00 1.00 N ATOM 399 CA ALA A 29 39.701 15.516 -7.272 1.00 1.00 C ATOM 400 C ALA A 29 38.608 15.731 -6.232 1.00 1.00 C ATOM 401 O ALA A 29 38.015 16.807 -6.152 1.00 1.00 O ATOM 402 CB ALA A 29 39.363 16.303 -8.542 1.00 1.00 C ATOM 0 H ALA A 29 40.615 13.633 -7.117 1.00 1.00 H new ATOM 0 HA ALA A 29 40.649 15.872 -6.868 1.00 1.00 H new ATOM 0 HB1 ALA A 29 39.264 17.361 -8.299 1.00 1.00 H new ATOM 0 HB2 ALA A 29 40.160 16.172 -9.274 1.00 1.00 H new ATOM 0 HB3 ALA A 29 38.424 15.937 -8.958 1.00 1.00 H new ATOM 408 N LEU A 30 38.348 14.700 -5.434 1.00 1.00 N ATOM 409 CA LEU A 30 37.324 14.784 -4.398 1.00 1.00 C ATOM 410 C LEU A 30 37.968 14.987 -3.031 1.00 1.00 C ATOM 411 O LEU A 30 37.334 14.775 -1.997 1.00 1.00 O ATOM 412 CB LEU A 30 36.488 13.498 -4.382 1.00 1.00 C ATOM 413 CG LEU A 30 35.339 13.600 -5.396 1.00 1.00 C ATOM 414 CD1 LEU A 30 34.307 14.637 -4.936 1.00 1.00 C ATOM 415 CD2 LEU A 30 35.898 14.010 -6.760 1.00 1.00 C ATOM 0 H LEU A 30 38.829 13.802 -5.484 1.00 1.00 H new ATOM 0 HA LEU A 30 36.678 15.634 -4.618 1.00 1.00 H new ATOM 0 HB2 LEU A 30 37.119 12.642 -4.621 1.00 1.00 H new ATOM 0 HB3 LEU A 30 36.087 13.329 -3.383 1.00 1.00 H new ATOM 0 HG LEU A 30 34.851 12.628 -5.472 1.00 1.00 H new ATOM 0 HD11 LEU A 30 33.500 14.696 -5.666 1.00 1.00 H new ATOM 0 HD12 LEU A 30 33.900 14.341 -3.969 1.00 1.00 H new ATOM 0 HD13 LEU A 30 34.786 15.612 -4.845 1.00 1.00 H new ATOM 0 HD21 LEU A 30 35.083 14.083 -7.480 1.00 1.00 H new ATOM 0 HD22 LEU A 30 36.394 14.977 -6.674 1.00 1.00 H new ATOM 0 HD23 LEU A 30 36.616 13.263 -7.098 1.00 1.00 H new ATOM 427 N ILE A 31 39.231 15.399 -3.034 1.00 1.00 N ATOM 428 CA ILE A 31 39.955 15.627 -1.789 1.00 1.00 C ATOM 429 C ILE A 31 39.558 16.957 -1.135 1.00 1.00 C ATOM 430 O ILE A 31 39.538 17.057 0.091 1.00 1.00 O ATOM 431 CB ILE A 31 41.466 15.604 -2.041 1.00 1.00 C ATOM 432 CG1 ILE A 31 41.811 14.445 -2.981 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.199 15.409 -0.715 1.00 1.00 C ATOM 434 CD1 ILE A 31 42.086 14.988 -4.385 1.00 1.00 C ATOM 0 H ILE A 31 39.772 15.581 -3.879 1.00 1.00 H new ATOM 0 HA ILE A 31 39.688 14.822 -1.104 1.00 1.00 H new ATOM 0 HB ILE A 31 41.771 16.547 -2.495 1.00 1.00 H new ATOM 0 HG12 ILE A 31 42.685 13.910 -2.609 1.00 1.00 H new ATOM 0 HG13 ILE A 31 40.988 13.730 -3.011 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.274 15.392 -0.893 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.955 16.230 -0.040 1.00 1.00 H new ATOM 0 HG23 ILE A 31 41.891 14.465 -0.264 1.00 1.00 H new ATOM 0 HD11 ILE A 31 42.331 14.162 -5.053 1.00 1.00 H new ATOM 0 HD12 ILE A 31 41.200 15.504 -4.756 1.00 1.00 H new ATOM 0 HD13 ILE A 31 42.923 15.686 -4.348 1.00 1.00 H new ATOM 446 N PRO A 32 39.248 17.976 -1.907 1.00 1.00 N ATOM 447 CA PRO A 32 38.854 19.305 -1.346 1.00 1.00 C ATOM 448 C PRO A 32 37.619 19.210 -0.453 1.00 1.00 C ATOM 449 O PRO A 32 37.132 20.220 0.055 1.00 1.00 O ATOM 450 CB PRO A 32 38.566 20.170 -2.579 1.00 1.00 C ATOM 451 CG PRO A 32 39.220 19.473 -3.725 1.00 1.00 C ATOM 452 CD PRO A 32 39.232 17.988 -3.379 1.00 1.00 C ATOM 0 HA PRO A 32 39.637 19.718 -0.711 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.493 20.272 -2.744 1.00 1.00 H new ATOM 0 HB3 PRO A 32 38.966 21.176 -2.453 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.673 19.651 -4.651 1.00 1.00 H new ATOM 0 HG3 PRO A 32 40.234 19.844 -3.877 1.00 1.00 H new ATOM 0 HD2 PRO A 32 38.354 17.477 -3.775 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.107 17.487 -3.794 1.00 1.00 H new ATOM 460 N ALA A 33 37.118 17.992 -0.269 1.00 1.00 N ATOM 461 CA ALA A 33 35.938 17.780 0.563 1.00 1.00 C ATOM 462 C ALA A 33 36.133 16.575 1.477 1.00 1.00 C ATOM 463 O ALA A 33 35.882 16.650 2.681 1.00 1.00 O ATOM 464 CB ALA A 33 34.710 17.558 -0.320 1.00 1.00 C ATOM 0 H ALA A 33 37.507 17.144 -0.681 1.00 1.00 H new ATOM 0 HA ALA A 33 35.788 18.667 1.179 1.00 1.00 H new ATOM 0 HB1 ALA A 33 33.834 17.401 0.309 1.00 1.00 H new ATOM 0 HB2 ALA A 33 34.552 18.433 -0.950 1.00 1.00 H new ATOM 0 HB3 ALA A 33 34.868 16.682 -0.949 1.00 1.00 H new ATOM 470 N ILE A 34 36.581 15.465 0.900 1.00 1.00 N ATOM 471 CA ILE A 34 36.805 14.250 1.675 1.00 1.00 C ATOM 472 C ILE A 34 37.745 14.524 2.844 1.00 1.00 C ATOM 473 O ILE A 34 37.326 14.534 4.002 1.00 1.00 O ATOM 474 CB ILE A 34 37.403 13.163 0.780 1.00 1.00 C ATOM 475 CG1 ILE A 34 36.322 12.627 -0.162 1.00 1.00 C ATOM 476 CG2 ILE A 34 37.933 12.021 1.649 1.00 1.00 C ATOM 477 CD1 ILE A 34 36.972 11.779 -1.256 1.00 1.00 C ATOM 0 H ILE A 34 36.795 15.381 -0.094 1.00 1.00 H new ATOM 0 HA ILE A 34 35.846 13.911 2.068 1.00 1.00 H new ATOM 0 HB ILE A 34 38.221 13.583 0.194 1.00 1.00 H new ATOM 0 HG12 ILE A 34 35.602 12.029 0.397 1.00 1.00 H new ATOM 0 HG13 ILE A 34 35.771 13.455 -0.608 1.00 1.00 H new ATOM 0 HG21 ILE A 34 38.359 11.246 1.012 1.00 1.00 H new ATOM 0 HG22 ILE A 34 38.702 12.402 2.321 1.00 1.00 H new ATOM 0 HG23 ILE A 34 37.116 11.600 2.235 1.00 1.00 H new ATOM 0 HD11 ILE A 34 36.202 11.398 -1.926 1.00 1.00 H new ATOM 0 HD12 ILE A 34 37.675 12.391 -1.821 1.00 1.00 H new ATOM 0 HD13 ILE A 34 37.503 10.943 -0.801 1.00 1.00 H new ATOM 489 N TYR A 35 39.019 14.746 2.534 1.00 1.00 N ATOM 490 CA TYR A 35 40.010 15.018 3.568 1.00 1.00 C ATOM 491 C TYR A 35 39.504 16.090 4.529 1.00 1.00 C ATOM 492 O TYR A 35 39.841 16.084 5.714 1.00 1.00 O ATOM 493 CB TYR A 35 41.320 15.482 2.927 1.00 1.00 C ATOM 494 CG TYR A 35 42.211 16.088 3.983 1.00 1.00 C ATOM 495 CD1 TYR A 35 42.969 15.260 4.820 1.00 1.00 C ATOM 496 CD2 TYR A 35 42.279 17.479 4.128 1.00 1.00 C ATOM 497 CE1 TYR A 35 43.795 15.822 5.801 1.00 1.00 C ATOM 498 CE2 TYR A 35 43.106 18.041 5.108 1.00 1.00 C ATOM 499 CZ TYR A 35 43.864 17.213 5.945 1.00 1.00 C ATOM 500 OH TYR A 35 44.678 17.768 6.910 1.00 1.00 O ATOM 0 H TYR A 35 39.387 14.743 1.583 1.00 1.00 H new ATOM 0 HA TYR A 35 40.184 14.099 4.127 1.00 1.00 H new ATOM 0 HB2 TYR A 35 41.823 14.640 2.452 1.00 1.00 H new ATOM 0 HB3 TYR A 35 41.115 16.214 2.145 1.00 1.00 H new ATOM 0 HD1 TYR A 35 42.916 14.187 4.709 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.694 18.118 3.484 1.00 1.00 H new ATOM 0 HE1 TYR A 35 44.379 15.183 6.447 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.159 19.114 5.218 1.00 1.00 H new ATOM 0 HH TYR A 35 44.609 18.745 6.874 1.00 1.00 H new ATOM 510 N MET A 36 38.694 17.008 4.012 1.00 1.00 N ATOM 511 CA MET A 36 38.149 18.081 4.834 1.00 1.00 C ATOM 512 C MET A 36 37.111 17.535 5.808 1.00 1.00 C ATOM 513 O MET A 36 37.331 17.517 7.019 1.00 1.00 O ATOM 514 CB MET A 36 37.507 19.146 3.944 1.00 1.00 C ATOM 515 CG MET A 36 37.129 20.363 4.791 1.00 1.00 C ATOM 516 SD MET A 36 38.145 21.779 4.301 1.00 1.00 S ATOM 517 CE MET A 36 39.720 21.160 4.940 1.00 1.00 C ATOM 0 H MET A 36 38.402 17.031 3.035 1.00 1.00 H new ATOM 0 HA MET A 36 38.964 18.528 5.403 1.00 1.00 H new ATOM 0 HB2 MET A 36 38.199 19.440 3.155 1.00 1.00 H new ATOM 0 HB3 MET A 36 36.621 18.741 3.456 1.00 1.00 H new ATOM 0 HG2 MET A 36 36.073 20.597 4.659 1.00 1.00 H new ATOM 0 HG3 MET A 36 37.278 20.144 5.848 1.00 1.00 H new ATOM 0 HE1 MET A 36 40.450 21.969 4.954 1.00 1.00 H new ATOM 0 HE2 MET A 36 39.578 20.781 5.952 1.00 1.00 H new ATOM 0 HE3 MET A 36 40.082 20.356 4.299 1.00 1.00 H new ATOM 527 N LEU A 37 35.978 17.092 5.273 1.00 1.00 N ATOM 528 CA LEU A 37 34.911 16.549 6.105 1.00 1.00 C ATOM 529 C LEU A 37 35.296 15.174 6.640 1.00 1.00 C ATOM 530 O LEU A 37 34.506 14.231 6.581 1.00 1.00 O ATOM 531 CB LEU A 37 33.619 16.440 5.293 1.00 1.00 C ATOM 532 CG LEU A 37 33.373 17.751 4.546 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.061 17.656 3.767 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.286 18.901 5.553 1.00 1.00 C ATOM 0 H LEU A 37 35.776 17.098 4.273 1.00 1.00 H new ATOM 0 HA LEU A 37 34.754 17.223 6.947 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.690 15.614 4.585 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.779 16.222 5.953 1.00 1.00 H new ATOM 0 HG LEU A 37 34.194 17.934 3.853 1.00 1.00 H new ATOM 0 HD11 LEU A 37 31.886 18.591 3.234 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.121 16.836 3.051 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.239 17.473 4.459 1.00 1.00 H new ATOM 0 HD21 LEU A 37 33.111 19.837 5.022 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.464 18.717 6.245 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.221 18.969 6.109 1.00 1.00 H new ATOM 546 N VAL A 38 36.512 15.066 7.164 1.00 1.00 N ATOM 547 CA VAL A 38 36.991 13.800 7.707 1.00 1.00 C ATOM 548 C VAL A 38 37.907 14.042 8.904 1.00 1.00 C ATOM 549 O VAL A 38 37.979 13.221 9.818 1.00 1.00 O ATOM 550 CB VAL A 38 37.749 13.022 6.632 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.672 11.998 7.295 1.00 1.00 C ATOM 552 CG2 VAL A 38 36.750 12.296 5.728 1.00 1.00 C ATOM 0 H VAL A 38 37.180 15.834 7.224 1.00 1.00 H new ATOM 0 HA VAL A 38 36.129 13.219 8.035 1.00 1.00 H new ATOM 0 HB VAL A 38 38.344 13.714 6.036 1.00 1.00 H new ATOM 0 HG11 VAL A 38 39.212 11.444 6.527 1.00 1.00 H new ATOM 0 HG12 VAL A 38 39.384 12.514 7.939 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.078 11.306 7.892 1.00 1.00 H new ATOM 0 HG21 VAL A 38 37.290 11.741 4.961 1.00 1.00 H new ATOM 0 HG22 VAL A 38 36.155 11.605 6.325 1.00 1.00 H new ATOM 0 HG23 VAL A 38 36.093 13.025 5.253 1.00 1.00 H new ATOM 562 N PHE A 39 38.602 15.175 8.891 1.00 1.00 N ATOM 563 CA PHE A 39 39.510 15.514 9.980 1.00 1.00 C ATOM 564 C PHE A 39 38.757 16.218 11.105 1.00 1.00 C ATOM 565 O PHE A 39 39.086 16.053 12.280 1.00 1.00 O ATOM 566 CB PHE A 39 40.627 16.423 9.464 1.00 1.00 C ATOM 567 CG PHE A 39 41.195 17.226 10.612 1.00 1.00 C ATOM 568 CD1 PHE A 39 41.609 16.576 11.781 1.00 1.00 C ATOM 569 CD2 PHE A 39 41.306 18.617 10.506 1.00 1.00 C ATOM 570 CE1 PHE A 39 42.135 17.319 12.845 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.833 19.359 11.569 1.00 1.00 C ATOM 572 CZ PHE A 39 42.248 18.711 12.739 1.00 1.00 C ATOM 0 H PHE A 39 38.555 15.869 8.145 1.00 1.00 H new ATOM 0 HA PHE A 39 39.943 14.592 10.369 1.00 1.00 H new ATOM 0 HB2 PHE A 39 41.412 15.825 9.001 1.00 1.00 H new ATOM 0 HB3 PHE A 39 40.240 17.092 8.695 1.00 1.00 H new ATOM 0 HD1 PHE A 39 41.523 15.503 11.862 1.00 1.00 H new ATOM 0 HD2 PHE A 39 40.985 19.118 9.604 1.00 1.00 H new ATOM 0 HE1 PHE A 39 42.454 16.819 13.747 1.00 1.00 H new ATOM 0 HE2 PHE A 39 41.920 20.432 11.487 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.655 19.284 13.559 1.00 1.00 H new ATOM 582 N LEU A 40 37.746 17.000 10.733 1.00 1.00 N ATOM 583 CA LEU A 40 36.947 17.729 11.713 1.00 1.00 C ATOM 584 C LEU A 40 35.483 17.306 11.631 1.00 1.00 C ATOM 585 O LEU A 40 34.616 17.911 12.262 1.00 1.00 O ATOM 586 CB LEU A 40 37.058 19.234 11.461 1.00 1.00 C ATOM 587 CG LEU A 40 36.509 19.560 10.071 1.00 1.00 C ATOM 588 CD1 LEU A 40 35.199 20.337 10.207 1.00 1.00 C ATOM 589 CD2 LEU A 40 37.528 20.410 9.308 1.00 1.00 C ATOM 0 H LEU A 40 37.462 17.144 9.764 1.00 1.00 H new ATOM 0 HA LEU A 40 37.326 17.497 12.708 1.00 1.00 H new ATOM 0 HB2 LEU A 40 36.502 19.783 12.221 1.00 1.00 H new ATOM 0 HB3 LEU A 40 38.098 19.550 11.536 1.00 1.00 H new ATOM 0 HG LEU A 40 36.326 18.633 9.527 1.00 1.00 H new ATOM 0 HD11 LEU A 40 34.809 20.569 9.216 1.00 1.00 H new ATOM 0 HD12 LEU A 40 34.473 19.733 10.751 1.00 1.00 H new ATOM 0 HD13 LEU A 40 35.380 21.264 10.751 1.00 1.00 H new ATOM 0 HD21 LEU A 40 37.138 20.643 8.317 1.00 1.00 H new ATOM 0 HD22 LEU A 40 37.710 21.336 9.853 1.00 1.00 H new ATOM 0 HD23 LEU A 40 38.462 19.857 9.209 1.00 1.00 H new ATOM 601 N LEU A 41 35.217 16.265 10.850 1.00 1.00 N ATOM 602 CA LEU A 41 33.854 15.770 10.693 1.00 1.00 C ATOM 603 C LEU A 41 33.847 14.250 10.556 1.00 1.00 C ATOM 604 O LEU A 41 32.820 13.651 10.239 1.00 1.00 O ATOM 605 CB LEU A 41 33.209 16.398 9.455 1.00 1.00 C ATOM 606 CG LEU A 41 31.688 16.381 9.607 1.00 1.00 C ATOM 607 CD1 LEU A 41 31.228 17.672 10.289 1.00 1.00 C ATOM 608 CD2 LEU A 41 31.039 16.278 8.225 1.00 1.00 C ATOM 0 H LEU A 41 35.920 15.751 10.320 1.00 1.00 H new ATOM 0 HA LEU A 41 33.284 16.046 11.580 1.00 1.00 H new ATOM 0 HB2 LEU A 41 33.561 17.422 9.329 1.00 1.00 H new ATOM 0 HB3 LEU A 41 33.502 15.848 8.561 1.00 1.00 H new ATOM 0 HG LEU A 41 31.394 15.524 10.213 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.143 17.660 10.397 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.690 17.748 11.273 1.00 1.00 H new ATOM 0 HD13 LEU A 41 31.522 18.529 9.683 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.954 16.266 8.332 1.00 1.00 H new ATOM 0 HD22 LEU A 41 31.334 17.135 7.620 1.00 1.00 H new ATOM 0 HD23 LEU A 41 31.366 15.360 7.737 1.00 1.00 H new ATOM 620 N GLY A 42 34.999 13.634 10.799 1.00 1.00 N ATOM 621 CA GLY A 42 35.113 12.184 10.700 1.00 1.00 C ATOM 622 C GLY A 42 35.092 11.539 12.082 1.00 1.00 C ATOM 623 O GLY A 42 34.614 10.417 12.247 1.00 1.00 O ATOM 0 H GLY A 42 35.860 14.112 11.064 1.00 1.00 H new ATOM 0 HA2 GLY A 42 34.293 11.791 10.099 1.00 1.00 H new ATOM 0 HA3 GLY A 42 36.038 11.922 10.187 1.00 1.00 H new ATOM 627 N THR A 43 35.612 12.257 13.072 1.00 1.00 N ATOM 628 CA THR A 43 35.647 11.744 14.437 1.00 1.00 C ATOM 629 C THR A 43 35.315 12.851 15.434 1.00 1.00 C ATOM 630 O THR A 43 34.509 12.658 16.344 1.00 1.00 O ATOM 631 CB THR A 43 37.034 11.176 14.746 1.00 1.00 C ATOM 632 OG1 THR A 43 37.052 10.675 16.076 1.00 1.00 O ATOM 633 CG2 THR A 43 38.084 12.278 14.599 1.00 1.00 C ATOM 0 H THR A 43 36.012 13.188 12.957 1.00 1.00 H new ATOM 0 HA THR A 43 34.902 10.953 14.527 1.00 1.00 H new ATOM 0 HB THR A 43 37.260 10.369 14.050 1.00 1.00 H new ATOM 0 HG1 THR A 43 37.939 10.309 16.276 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.071 11.872 14.819 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.069 12.661 13.579 1.00 1.00 H new ATOM 0 HG23 THR A 43 37.861 13.088 15.294 1.00 1.00 H new ATOM 641 N THR A 44 35.942 14.008 15.255 1.00 1.00 N ATOM 642 CA THR A 44 35.705 15.140 16.146 1.00 1.00 C ATOM 643 C THR A 44 34.222 15.494 16.177 1.00 1.00 C ATOM 644 O THR A 44 33.686 15.868 17.220 1.00 1.00 O ATOM 645 CB THR A 44 36.513 16.351 15.676 1.00 1.00 C ATOM 646 OG1 THR A 44 37.862 16.211 16.098 1.00 1.00 O ATOM 647 CG2 THR A 44 35.919 17.627 16.277 1.00 1.00 C ATOM 0 H THR A 44 36.613 14.187 14.508 1.00 1.00 H new ATOM 0 HA THR A 44 36.021 14.862 17.151 1.00 1.00 H new ATOM 0 HB THR A 44 36.477 16.413 14.588 1.00 1.00 H new ATOM 0 HG1 THR A 44 38.381 16.985 15.796 1.00 1.00 H new ATOM 0 HG21 THR A 44 36.495 18.489 15.942 1.00 1.00 H new ATOM 0 HG22 THR A 44 34.884 17.734 15.953 1.00 1.00 H new ATOM 0 HG23 THR A 44 35.954 17.568 17.365 1.00 1.00 H new ATOM 655 N GLY A 45 33.565 15.376 15.028 1.00 1.00 N ATOM 656 CA GLY A 45 32.144 15.687 14.936 1.00 1.00 C ATOM 657 C GLY A 45 31.377 15.080 16.106 1.00 1.00 C ATOM 658 O GLY A 45 30.477 15.707 16.662 1.00 1.00 O ATOM 0 H GLY A 45 33.991 15.069 14.153 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.004 16.768 14.926 1.00 1.00 H new ATOM 0 HA3 GLY A 45 31.744 15.305 13.997 1.00 1.00 H new ATOM 662 N ASN A 46 31.739 13.854 16.471 1.00 1.00 N ATOM 663 CA ASN A 46 31.077 13.171 17.576 1.00 1.00 C ATOM 664 C ASN A 46 31.971 12.072 18.139 1.00 1.00 C ATOM 665 O ASN A 46 32.113 11.005 17.541 1.00 1.00 O ATOM 666 CB ASN A 46 29.758 12.563 17.099 1.00 1.00 C ATOM 667 CG ASN A 46 28.635 12.931 18.061 1.00 1.00 C ATOM 668 OD1 ASN A 46 28.002 12.051 18.644 1.00 1.00 O ATOM 669 ND2 ASN A 46 28.348 14.188 18.264 1.00 1.00 N ATOM 0 H ASN A 46 32.481 13.317 16.022 1.00 1.00 H new ATOM 0 HA ASN A 46 30.878 13.900 18.362 1.00 1.00 H new ATOM 0 HB2 ASN A 46 29.523 12.924 16.098 1.00 1.00 H new ATOM 0 HB3 ASN A 46 29.851 11.479 17.033 1.00 1.00 H new ATOM 0 HD21 ASN A 46 27.598 14.443 18.907 1.00 1.00 H new ATOM 0 HD22 ASN A 46 28.874 14.916 17.780 1.00 1.00 H new ATOM 676 N GLY A 47 32.572 12.337 19.295 1.00 1.00 N ATOM 677 CA GLY A 47 33.449 11.362 19.930 1.00 1.00 C ATOM 678 C GLY A 47 34.362 12.031 20.951 1.00 1.00 C ATOM 679 O GLY A 47 35.553 11.728 21.025 1.00 1.00 O ATOM 0 H GLY A 47 32.468 13.213 19.807 1.00 1.00 H new ATOM 0 HA2 GLY A 47 32.850 10.594 20.420 1.00 1.00 H new ATOM 0 HA3 GLY A 47 34.051 10.861 19.172 1.00 1.00 H new ATOM 683 N LEU A 48 33.792 12.943 21.736 1.00 1.00 N ATOM 684 CA LEU A 48 34.557 13.657 22.755 1.00 1.00 C ATOM 685 C LEU A 48 34.021 13.338 24.146 1.00 1.00 C ATOM 686 O LEU A 48 34.752 13.404 25.135 1.00 1.00 O ATOM 687 CB LEU A 48 34.473 15.164 22.509 1.00 1.00 C ATOM 688 CG LEU A 48 34.836 15.465 21.053 1.00 1.00 C ATOM 689 CD1 LEU A 48 34.752 16.973 20.807 1.00 1.00 C ATOM 690 CD2 LEU A 48 36.261 14.983 20.771 1.00 1.00 C ATOM 0 H LEU A 48 32.807 13.204 21.686 1.00 1.00 H new ATOM 0 HA LEU A 48 35.597 13.336 22.695 1.00 1.00 H new ATOM 0 HB2 LEU A 48 33.467 15.523 22.726 1.00 1.00 H new ATOM 0 HB3 LEU A 48 35.151 15.691 23.180 1.00 1.00 H new ATOM 0 HG LEU A 48 34.140 14.949 20.392 1.00 1.00 H new ATOM 0 HD11 LEU A 48 35.011 17.187 19.770 1.00 1.00 H new ATOM 0 HD12 LEU A 48 33.738 17.318 21.007 1.00 1.00 H new ATOM 0 HD13 LEU A 48 35.448 17.489 21.469 1.00 1.00 H new ATOM 0 HD21 LEU A 48 36.519 15.198 19.734 1.00 1.00 H new ATOM 0 HD22 LEU A 48 36.957 15.499 21.432 1.00 1.00 H new ATOM 0 HD23 LEU A 48 36.323 13.909 20.946 1.00 1.00 H new ATOM 702 N VAL A 49 32.739 12.996 24.216 1.00 1.00 N ATOM 703 CA VAL A 49 32.112 12.672 25.492 1.00 1.00 C ATOM 704 C VAL A 49 32.499 11.265 25.936 1.00 1.00 C ATOM 705 O VAL A 49 31.891 10.700 26.845 1.00 1.00 O ATOM 706 CB VAL A 49 30.591 12.770 25.363 1.00 1.00 C ATOM 707 CG1 VAL A 49 30.104 11.776 24.307 1.00 1.00 C ATOM 708 CG2 VAL A 49 29.936 12.441 26.708 1.00 1.00 C ATOM 0 H VAL A 49 32.117 12.936 23.410 1.00 1.00 H new ATOM 0 HA VAL A 49 32.460 13.384 26.240 1.00 1.00 H new ATOM 0 HB VAL A 49 30.320 13.783 25.066 1.00 1.00 H new ATOM 0 HG11 VAL A 49 29.020 11.845 24.215 1.00 1.00 H new ATOM 0 HG12 VAL A 49 30.566 12.009 23.348 1.00 1.00 H new ATOM 0 HG13 VAL A 49 30.379 10.764 24.605 1.00 1.00 H new ATOM 0 HG21 VAL A 49 28.853 12.512 26.612 1.00 1.00 H new ATOM 0 HG22 VAL A 49 30.208 11.429 27.007 1.00 1.00 H new ATOM 0 HG23 VAL A 49 30.280 13.148 27.463 1.00 1.00 H new ATOM 718 N LEU A 50 33.510 10.703 25.284 1.00 1.00 N ATOM 719 CA LEU A 50 33.967 9.358 25.619 1.00 1.00 C ATOM 720 C LEU A 50 35.488 9.264 25.519 1.00 1.00 C ATOM 721 O LEU A 50 36.060 8.182 25.654 1.00 1.00 O ATOM 722 CB LEU A 50 33.325 8.334 24.677 1.00 1.00 C ATOM 723 CG LEU A 50 33.173 8.937 23.277 1.00 1.00 C ATOM 724 CD1 LEU A 50 34.541 9.390 22.761 1.00 1.00 C ATOM 725 CD2 LEU A 50 32.599 7.881 22.331 1.00 1.00 C ATOM 0 H LEU A 50 34.025 11.152 24.527 1.00 1.00 H new ATOM 0 HA LEU A 50 33.669 9.142 26.645 1.00 1.00 H new ATOM 0 HB2 LEU A 50 33.939 7.435 24.630 1.00 1.00 H new ATOM 0 HB3 LEU A 50 32.350 8.035 25.061 1.00 1.00 H new ATOM 0 HG LEU A 50 32.501 9.794 23.322 1.00 1.00 H new ATOM 0 HD11 LEU A 50 34.430 9.819 21.765 1.00 1.00 H new ATOM 0 HD12 LEU A 50 34.954 10.140 23.435 1.00 1.00 H new ATOM 0 HD13 LEU A 50 35.214 8.534 22.715 1.00 1.00 H new ATOM 0 HD21 LEU A 50 32.490 8.307 21.334 1.00 1.00 H new ATOM 0 HD22 LEU A 50 33.273 7.026 22.288 1.00 1.00 H new ATOM 0 HD23 LEU A 50 31.624 7.557 22.696 1.00 1.00 H new ATOM 737 N TRP A 51 36.135 10.402 25.286 1.00 1.00 N ATOM 738 CA TRP A 51 37.588 10.435 25.173 1.00 1.00 C ATOM 739 C TRP A 51 38.208 11.006 26.442 1.00 1.00 C ATOM 740 O TRP A 51 38.989 10.338 27.118 1.00 1.00 O ATOM 741 CB TRP A 51 38.000 11.289 23.972 1.00 1.00 C ATOM 742 CG TRP A 51 39.171 12.140 24.344 1.00 1.00 C ATOM 743 CD1 TRP A 51 40.403 11.673 24.651 1.00 1.00 C ATOM 744 CD2 TRP A 51 39.243 13.590 24.456 1.00 1.00 C ATOM 745 NE1 TRP A 51 41.228 12.744 24.942 1.00 1.00 N ATOM 746 CE2 TRP A 51 40.559 13.948 24.836 1.00 1.00 C ATOM 747 CE3 TRP A 51 38.305 14.621 24.265 1.00 1.00 C ATOM 748 CZ2 TRP A 51 40.931 15.280 25.021 1.00 1.00 C ATOM 749 CZ3 TRP A 51 38.676 15.963 24.451 1.00 1.00 C ATOM 750 CH2 TRP A 51 39.985 16.292 24.828 1.00 1.00 C ATOM 0 H TRP A 51 35.679 11.307 25.173 1.00 1.00 H new ATOM 0 HA TRP A 51 37.947 9.415 25.032 1.00 1.00 H new ATOM 0 HB2 TRP A 51 38.256 10.649 23.128 1.00 1.00 H new ATOM 0 HB3 TRP A 51 37.167 11.916 23.655 1.00 1.00 H new ATOM 0 HD1 TRP A 51 40.695 10.633 24.666 1.00 1.00 H new ATOM 0 HE1 TRP A 51 42.210 12.656 25.203 1.00 1.00 H new ATOM 0 HE3 TRP A 51 37.294 14.379 23.974 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 41.941 15.528 25.311 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 37.948 16.746 24.302 1.00 1.00 H new ATOM 0 HH2 TRP A 51 40.263 17.326 24.969 1.00 1.00 H new ATOM 761 N THR A 52 37.851 12.245 26.762 1.00 1.00 N ATOM 762 CA THR A 52 38.376 12.894 27.957 1.00 1.00 C ATOM 763 C THR A 52 37.865 12.191 29.209 1.00 1.00 C ATOM 764 O THR A 52 38.630 11.915 30.132 1.00 1.00 O ATOM 765 CB THR A 52 37.953 14.365 27.982 1.00 1.00 C ATOM 766 OG1 THR A 52 38.533 15.003 29.111 1.00 1.00 O ATOM 767 CG2 THR A 52 36.428 14.459 28.067 1.00 1.00 C ATOM 0 H THR A 52 37.206 12.816 26.216 1.00 1.00 H new ATOM 0 HA THR A 52 39.464 12.833 27.937 1.00 1.00 H new ATOM 0 HB THR A 52 38.294 14.857 27.071 1.00 1.00 H new ATOM 0 HG1 THR A 52 38.265 15.945 29.128 1.00 1.00 H new ATOM 0 HG21 THR A 52 36.128 15.507 28.085 1.00 1.00 H new ATOM 0 HG22 THR A 52 35.984 13.969 27.200 1.00 1.00 H new ATOM 0 HG23 THR A 52 36.083 13.968 28.977 1.00 1.00 H new ATOM 775 N VAL A 53 36.568 11.901 29.230 1.00 1.00 N ATOM 776 CA VAL A 53 35.960 11.226 30.371 1.00 1.00 C ATOM 777 C VAL A 53 36.801 10.025 30.794 1.00 1.00 C ATOM 778 O VAL A 53 36.689 9.542 31.920 1.00 1.00 O ATOM 779 CB VAL A 53 34.549 10.761 30.008 1.00 1.00 C ATOM 780 CG1 VAL A 53 34.076 9.720 31.023 1.00 1.00 C ATOM 781 CG2 VAL A 53 33.598 11.959 30.028 1.00 1.00 C ATOM 0 H VAL A 53 35.920 12.122 28.474 1.00 1.00 H new ATOM 0 HA VAL A 53 35.909 11.929 31.202 1.00 1.00 H new ATOM 0 HB VAL A 53 34.558 10.318 29.012 1.00 1.00 H new ATOM 0 HG11 VAL A 53 33.070 9.389 30.763 1.00 1.00 H new ATOM 0 HG12 VAL A 53 34.753 8.866 31.011 1.00 1.00 H new ATOM 0 HG13 VAL A 53 34.067 10.161 32.020 1.00 1.00 H new ATOM 0 HG21 VAL A 53 32.592 11.629 29.769 1.00 1.00 H new ATOM 0 HG22 VAL A 53 33.590 12.401 31.024 1.00 1.00 H new ATOM 0 HG23 VAL A 53 33.933 12.702 29.304 1.00 1.00 H new ATOM 791 N PHE A 54 37.642 9.544 29.882 1.00 1.00 N ATOM 792 CA PHE A 54 38.496 8.397 30.172 1.00 1.00 C ATOM 793 C PHE A 54 39.613 8.786 31.136 1.00 1.00 C ATOM 794 O PHE A 54 39.654 8.316 32.274 1.00 1.00 O ATOM 795 CB PHE A 54 39.102 7.857 28.876 1.00 1.00 C ATOM 796 CG PHE A 54 39.078 6.346 28.898 1.00 1.00 C ATOM 797 CD1 PHE A 54 39.525 5.655 30.029 1.00 1.00 C ATOM 798 CD2 PHE A 54 38.608 5.638 27.784 1.00 1.00 C ATOM 799 CE1 PHE A 54 39.502 4.255 30.049 1.00 1.00 C ATOM 800 CE2 PHE A 54 38.586 4.238 27.804 1.00 1.00 C ATOM 801 CZ PHE A 54 39.033 3.547 28.937 1.00 1.00 C ATOM 0 H PHE A 54 37.750 9.928 28.943 1.00 1.00 H new ATOM 0 HA PHE A 54 37.885 7.624 30.638 1.00 1.00 H new ATOM 0 HB2 PHE A 54 38.541 8.227 28.018 1.00 1.00 H new ATOM 0 HB3 PHE A 54 40.126 8.213 28.765 1.00 1.00 H new ATOM 0 HD1 PHE A 54 39.888 6.201 30.887 1.00 1.00 H new ATOM 0 HD2 PHE A 54 38.263 6.172 26.911 1.00 1.00 H new ATOM 0 HE1 PHE A 54 39.846 3.722 30.923 1.00 1.00 H new ATOM 0 HE2 PHE A 54 38.224 3.691 26.946 1.00 1.00 H new ATOM 0 HZ PHE A 54 39.016 2.467 28.952 1.00 1.00 H new ATOM 811 N ARG A 55 40.518 9.644 30.676 1.00 1.00 N ATOM 812 CA ARG A 55 41.632 10.088 31.509 1.00 1.00 C ATOM 813 C ARG A 55 41.135 10.517 32.887 1.00 1.00 C ATOM 814 O ARG A 55 41.924 10.698 33.814 1.00 1.00 O ATOM 815 CB ARG A 55 42.351 11.260 30.837 1.00 1.00 C ATOM 816 CG ARG A 55 42.901 10.814 29.480 1.00 1.00 C ATOM 817 CD ARG A 55 42.122 11.506 28.358 1.00 1.00 C ATOM 818 NE ARG A 55 42.658 11.117 27.058 1.00 1.00 N ATOM 819 CZ ARG A 55 42.495 9.884 26.590 1.00 1.00 C ATOM 820 NH1 ARG A 55 41.843 8.999 27.293 1.00 1.00 N ATOM 821 NH2 ARG A 55 42.986 9.559 25.424 1.00 1.00 N ATOM 0 H ARG A 55 40.503 10.044 29.738 1.00 1.00 H new ATOM 0 HA ARG A 55 42.325 9.256 31.629 1.00 1.00 H new ATOM 0 HB2 ARG A 55 41.663 12.095 30.705 1.00 1.00 H new ATOM 0 HB3 ARG A 55 43.163 11.614 31.472 1.00 1.00 H new ATOM 0 HG2 ARG A 55 43.960 11.060 29.407 1.00 1.00 H new ATOM 0 HG3 ARG A 55 42.818 9.732 29.380 1.00 1.00 H new ATOM 0 HD2 ARG A 55 41.067 11.239 28.419 1.00 1.00 H new ATOM 0 HD3 ARG A 55 42.184 12.588 28.476 1.00 1.00 H new ATOM 0 HE ARG A 55 43.166 11.803 26.499 1.00 1.00 H new ATOM 0 HH11 ARG A 55 41.458 9.253 28.203 1.00 1.00 H new ATOM 0 HH12 ARG A 55 41.718 8.053 26.933 1.00 1.00 H new ATOM 0 HH21 ARG A 55 43.494 10.251 24.874 1.00 1.00 H new ATOM 0 HH22 ARG A 55 42.861 8.613 25.064 1.00 1.00 H new ATOM 835 N LYS A 56 39.821 10.678 33.009 1.00 1.00 N ATOM 836 CA LYS A 56 39.215 11.086 34.272 1.00 1.00 C ATOM 837 C LYS A 56 38.040 10.176 34.619 1.00 1.00 C ATOM 838 O LYS A 56 36.987 10.645 35.051 1.00 1.00 O ATOM 839 CB LYS A 56 38.728 12.536 34.184 1.00 1.00 C ATOM 840 CG LYS A 56 37.899 12.735 32.916 1.00 1.00 C ATOM 841 CD LYS A 56 38.525 13.838 32.062 1.00 1.00 C ATOM 842 CE LYS A 56 38.489 15.162 32.828 1.00 1.00 C ATOM 843 NZ LYS A 56 39.881 15.636 33.067 1.00 1.00 N ATOM 0 H LYS A 56 39.156 10.532 32.249 1.00 1.00 H new ATOM 0 HA LYS A 56 39.971 11.007 35.054 1.00 1.00 H new ATOM 0 HB2 LYS A 56 38.129 12.781 35.061 1.00 1.00 H new ATOM 0 HB3 LYS A 56 39.581 13.215 34.181 1.00 1.00 H new ATOM 0 HG2 LYS A 56 37.853 11.805 32.350 1.00 1.00 H new ATOM 0 HG3 LYS A 56 36.875 13.000 33.177 1.00 1.00 H new ATOM 0 HD2 LYS A 56 39.554 13.579 31.812 1.00 1.00 H new ATOM 0 HD3 LYS A 56 37.983 13.935 31.121 1.00 1.00 H new ATOM 0 HE2 LYS A 56 37.932 15.908 32.261 1.00 1.00 H new ATOM 0 HE3 LYS A 56 37.970 15.031 33.778 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 39.921 16.156 33.967 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 40.523 14.819 33.110 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 40.172 16.264 32.291 1.00 1.00 H new ATOM 857 N LYS A 57 38.229 8.874 34.426 1.00 1.00 N ATOM 858 CA LYS A 57 37.177 7.908 34.723 1.00 1.00 C ATOM 859 C LYS A 57 36.569 8.183 36.094 1.00 1.00 C ATOM 860 O LYS A 57 35.368 8.428 36.213 1.00 1.00 O ATOM 861 CB LYS A 57 37.747 6.489 34.689 1.00 1.00 C ATOM 862 CG LYS A 57 36.652 5.490 35.071 1.00 1.00 C ATOM 863 CD LYS A 57 37.105 4.074 34.712 1.00 1.00 C ATOM 864 CE LYS A 57 38.398 3.746 35.461 1.00 1.00 C ATOM 865 NZ LYS A 57 39.566 4.235 34.675 1.00 1.00 N ATOM 0 H LYS A 57 39.093 8.466 34.068 1.00 1.00 H new ATOM 0 HA LYS A 57 36.397 8.004 33.968 1.00 1.00 H new ATOM 0 HB2 LYS A 57 38.129 6.263 33.694 1.00 1.00 H new ATOM 0 HB3 LYS A 57 38.587 6.406 35.379 1.00 1.00 H new ATOM 0 HG2 LYS A 57 36.441 5.556 36.138 1.00 1.00 H new ATOM 0 HG3 LYS A 57 35.727 5.731 34.548 1.00 1.00 H new ATOM 0 HD2 LYS A 57 36.328 3.355 34.974 1.00 1.00 H new ATOM 0 HD3 LYS A 57 37.265 3.994 33.637 1.00 1.00 H new ATOM 0 HE2 LYS A 57 38.388 4.212 36.446 1.00 1.00 H new ATOM 0 HE3 LYS A 57 38.477 2.670 35.618 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 40.266 3.472 34.582 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 39.249 4.531 33.730 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 39.999 5.044 35.164 1.00 1.00 H new ATOM 879 N GLY A 58 37.403 8.139 37.126 1.00 1.00 N ATOM 880 CA GLY A 58 36.936 8.385 38.486 1.00 1.00 C ATOM 881 C GLY A 58 36.693 7.073 39.223 1.00 1.00 C ATOM 882 O GLY A 58 37.456 6.699 40.113 1.00 1.00 O ATOM 0 H GLY A 58 38.400 7.937 37.049 1.00 1.00 H new ATOM 0 HA2 GLY A 58 37.673 8.979 39.026 1.00 1.00 H new ATOM 0 HA3 GLY A 58 36.015 8.968 38.459 1.00 1.00 H new ATOM 886 N HIS A 59 35.624 6.377 38.846 1.00 1.00 N ATOM 887 CA HIS A 59 35.289 5.107 39.480 1.00 1.00 C ATOM 888 C HIS A 59 36.479 4.154 39.430 1.00 1.00 C ATOM 889 O HIS A 59 37.593 4.554 39.092 1.00 1.00 O ATOM 890 CB HIS A 59 34.092 4.471 38.772 1.00 1.00 C ATOM 891 CG HIS A 59 32.848 5.255 39.084 1.00 1.00 C ATOM 892 ND1 HIS A 59 31.581 4.702 38.989 1.00 1.00 N ATOM 893 CD2 HIS A 59 32.660 6.553 39.492 1.00 1.00 C ATOM 894 CE1 HIS A 59 30.694 5.655 39.332 1.00 1.00 C ATOM 895 NE2 HIS A 59 31.299 6.803 39.648 1.00 1.00 N ATOM 0 H HIS A 59 34.980 6.668 38.111 1.00 1.00 H new ATOM 0 HA HIS A 59 35.035 5.297 40.523 1.00 1.00 H new ATOM 0 HB2 HIS A 59 34.261 4.451 37.695 1.00 1.00 H new ATOM 0 HB3 HIS A 59 33.973 3.437 39.095 1.00 1.00 H new ATOM 0 HD2 HIS A 59 33.448 7.271 39.665 1.00 1.00 H new ATOM 0 HE1 HIS A 59 29.624 5.509 39.349 1.00 1.00 H new ATOM 0 HE2 HIS A 59 30.859 7.675 39.941 1.00 1.00 H new ATOM 903 N HIS A 60 36.234 2.893 39.769 1.00 1.00 N ATOM 904 CA HIS A 60 37.293 1.890 39.759 1.00 1.00 C ATOM 905 C HIS A 60 36.779 0.573 39.187 1.00 1.00 C ATOM 906 O HIS A 60 36.111 -0.196 39.878 1.00 1.00 O ATOM 907 CB HIS A 60 37.811 1.664 41.181 1.00 1.00 C ATOM 908 CG HIS A 60 39.058 2.475 41.397 1.00 1.00 C ATOM 909 ND1 HIS A 60 39.017 3.813 41.758 1.00 1.00 N ATOM 910 CD2 HIS A 60 40.389 2.153 41.305 1.00 1.00 C ATOM 911 CE1 HIS A 60 40.287 4.243 41.870 1.00 1.00 C ATOM 912 NE2 HIS A 60 41.163 3.271 41.604 1.00 1.00 N ATOM 0 H HIS A 60 35.319 2.543 40.052 1.00 1.00 H new ATOM 0 HA HIS A 60 38.106 2.253 39.130 1.00 1.00 H new ATOM 0 HB2 HIS A 60 37.049 1.949 41.906 1.00 1.00 H new ATOM 0 HB3 HIS A 60 38.021 0.606 41.339 1.00 1.00 H new ATOM 0 HD2 HIS A 60 40.777 1.180 41.041 1.00 1.00 H new ATOM 0 HE1 HIS A 60 40.564 5.251 42.142 1.00 1.00 H new ATOM 0 HE2 HIS A 60 42.181 3.334 41.617 1.00 1.00 H new ATOM 920 N HIS A 61 37.096 0.321 37.921 1.00 1.00 N ATOM 921 CA HIS A 61 36.661 -0.907 37.266 1.00 1.00 C ATOM 922 C HIS A 61 37.464 -2.100 37.774 1.00 1.00 C ATOM 923 O HIS A 61 38.427 -1.938 38.524 1.00 1.00 O ATOM 924 CB HIS A 61 36.834 -0.780 35.751 1.00 1.00 C ATOM 925 CG HIS A 61 35.521 -1.055 35.072 1.00 1.00 C ATOM 926 ND1 HIS A 61 34.949 -0.160 34.181 1.00 1.00 N ATOM 927 CD2 HIS A 61 34.657 -2.119 35.142 1.00 1.00 C ATOM 928 CE1 HIS A 61 33.791 -0.697 33.753 1.00 1.00 C ATOM 929 NE2 HIS A 61 33.565 -1.892 34.308 1.00 1.00 N ATOM 0 H HIS A 61 37.648 0.945 37.332 1.00 1.00 H new ATOM 0 HA HIS A 61 35.608 -1.067 37.499 1.00 1.00 H new ATOM 0 HB2 HIS A 61 37.185 0.220 35.497 1.00 1.00 H new ATOM 0 HB3 HIS A 61 37.591 -1.482 35.401 1.00 1.00 H new ATOM 0 HD2 HIS A 61 34.802 -2.999 35.751 1.00 1.00 H new ATOM 0 HE1 HIS A 61 33.126 -0.221 33.048 1.00 1.00 H new ATOM 0 HE2 HIS A 61 32.765 -2.506 34.154 1.00 1.00 H new ATOM 937 N HIS A 62 37.063 -3.298 37.359 1.00 1.00 N ATOM 938 CA HIS A 62 37.753 -4.511 37.779 1.00 1.00 C ATOM 939 C HIS A 62 38.824 -4.897 36.763 1.00 1.00 C ATOM 940 O HIS A 62 38.775 -5.977 36.175 1.00 1.00 O ATOM 941 CB HIS A 62 36.751 -5.657 37.928 1.00 1.00 C ATOM 942 CG HIS A 62 37.423 -6.828 38.591 1.00 1.00 C ATOM 943 ND1 HIS A 62 38.732 -7.186 38.310 1.00 1.00 N ATOM 944 CD2 HIS A 62 36.980 -7.731 39.526 1.00 1.00 C ATOM 945 CE1 HIS A 62 39.029 -8.262 39.062 1.00 1.00 C ATOM 946 NE2 HIS A 62 37.996 -8.635 39.821 1.00 1.00 N ATOM 0 H HIS A 62 36.270 -3.454 36.737 1.00 1.00 H new ATOM 0 HA HIS A 62 38.231 -4.320 38.740 1.00 1.00 H new ATOM 0 HB2 HIS A 62 35.896 -5.332 38.520 1.00 1.00 H new ATOM 0 HB3 HIS A 62 36.369 -5.949 36.950 1.00 1.00 H new ATOM 0 HD1 HIS A 62 39.357 -6.719 37.653 1.00 1.00 H new ATOM 0 HD2 HIS A 62 35.993 -7.738 39.965 1.00 1.00 H new ATOM 0 HE1 HIS A 62 39.986 -8.762 39.053 1.00 1.00 H new ATOM 954 N HIS A 63 39.790 -4.006 36.561 1.00 1.00 N ATOM 955 CA HIS A 63 40.867 -4.264 35.614 1.00 1.00 C ATOM 956 C HIS A 63 41.961 -3.209 35.745 1.00 1.00 C ATOM 957 O HIS A 63 42.332 -2.560 34.767 1.00 1.00 O ATOM 958 CB HIS A 63 40.319 -4.259 34.185 1.00 1.00 C ATOM 959 CG HIS A 63 41.353 -4.821 33.249 1.00 1.00 C ATOM 960 ND1 HIS A 63 42.705 -4.550 33.392 1.00 1.00 N ATOM 961 CD2 HIS A 63 41.249 -5.639 32.151 1.00 1.00 C ATOM 962 CE1 HIS A 63 43.355 -5.195 32.406 1.00 1.00 C ATOM 963 NE2 HIS A 63 42.514 -5.874 31.621 1.00 1.00 N ATOM 0 H HIS A 63 39.848 -3.106 37.037 1.00 1.00 H new ATOM 0 HA HIS A 63 41.293 -5.242 35.836 1.00 1.00 H new ATOM 0 HB2 HIS A 63 39.405 -4.851 34.133 1.00 1.00 H new ATOM 0 HB3 HIS A 63 40.058 -3.243 33.888 1.00 1.00 H new ATOM 0 HD1 HIS A 63 43.130 -3.968 34.114 1.00 1.00 H new ATOM 0 HD2 HIS A 63 40.326 -6.039 31.758 1.00 1.00 H new ATOM 0 HE1 HIS A 63 44.426 -5.167 32.266 1.00 1.00 H new ATOM 971 N HIS A 64 42.473 -3.043 36.960 1.00 1.00 N ATOM 972 CA HIS A 64 43.524 -2.064 37.209 1.00 1.00 C ATOM 973 C HIS A 64 44.804 -2.453 36.474 1.00 1.00 C ATOM 974 O HIS A 64 45.364 -3.483 36.808 1.00 1.00 O ATOM 975 CB HIS A 64 43.805 -1.967 38.709 1.00 1.00 C ATOM 976 CG HIS A 64 44.473 -0.654 39.011 1.00 1.00 C ATOM 977 ND1 HIS A 64 43.899 0.563 38.674 1.00 1.00 N ATOM 978 CD2 HIS A 64 45.667 -0.350 39.618 1.00 1.00 C ATOM 979 CE1 HIS A 64 44.740 1.533 39.076 1.00 1.00 C ATOM 980 NE2 HIS A 64 45.834 1.032 39.658 1.00 1.00 N ATOM 981 OXT HIS A 64 45.203 -1.714 35.590 1.00 1.00 O ATOM 0 H HIS A 64 42.179 -3.570 37.783 1.00 1.00 H new ATOM 0 HA HIS A 64 43.186 -1.096 36.840 1.00 1.00 H new ATOM 0 HB2 HIS A 64 42.874 -2.051 39.270 1.00 1.00 H new ATOM 0 HB3 HIS A 64 44.443 -2.793 39.024 1.00 1.00 H new ATOM 0 HD2 HIS A 64 46.370 -1.073 40.005 1.00 1.00 H new ATOM 0 HE1 HIS A 64 44.554 2.589 38.944 1.00 1.00 H new ATOM 0 HE2 HIS A 64 46.621 1.550 40.048 1.00 1.00 H new TER 989 HIS A 64