USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 501 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 25:sc= 0.337 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0799 K(o=-0.08,f=-1.1) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 165:sc= -0.0349 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 21 ASN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 26 MET CE :methyl 157:sc= -1.95 (180deg=-2.68) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 44 LYS NZ :NH3+ -132:sc= -0.654 (180deg=-1.33) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0557 X(o=-0.056,f=-0.056) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -1.74 X(o=-1.7,f=-2!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 10:sc= 0.493 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.412 -23.162 4.047 1.00 0.00 N ATOM 2 CA GLY A 1 -0.001 -23.483 3.982 1.00 0.00 C ATOM 3 C GLY A 1 -0.555 -23.381 2.574 1.00 0.00 C ATOM 4 O GLY A 1 -0.346 -24.272 1.751 1.00 0.00 O ATOM 0 H1 GLY A 1 1.742 -23.246 5.030 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.946 -23.821 3.445 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.563 -22.188 3.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.158 -24.494 4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.554 -22.809 4.636 1.00 0.00 H new ATOM 8 N SER A 2 -1.265 -22.292 2.297 1.00 0.00 N ATOM 9 CA SER A 2 -1.855 -22.078 0.981 1.00 0.00 C ATOM 10 C SER A 2 -0.879 -22.474 -0.123 1.00 0.00 C ATOM 11 O SER A 2 0.127 -21.801 -0.348 1.00 0.00 O ATOM 12 CB SER A 2 -2.265 -20.614 0.814 1.00 0.00 C ATOM 13 OG SER A 2 -3.327 -20.278 1.690 1.00 0.00 O ATOM 0 H SER A 2 -1.446 -21.544 2.967 1.00 0.00 H new ATOM 0 HA SER A 2 -2.742 -22.707 0.901 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.409 -19.969 1.011 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.569 -20.434 -0.217 1.00 0.00 H new ATOM 0 HG SER A 2 -3.569 -19.337 1.565 1.00 0.00 H new ATOM 19 N SER A 3 -1.184 -23.572 -0.808 1.00 0.00 N ATOM 20 CA SER A 3 -0.333 -24.061 -1.886 1.00 0.00 C ATOM 21 C SER A 3 -0.110 -22.977 -2.937 1.00 0.00 C ATOM 22 O SER A 3 -1.061 -22.381 -3.441 1.00 0.00 O ATOM 23 CB SER A 3 -0.957 -25.297 -2.536 1.00 0.00 C ATOM 24 OG SER A 3 -2.156 -24.966 -3.214 1.00 0.00 O ATOM 0 H SER A 3 -2.014 -24.139 -0.635 1.00 0.00 H new ATOM 0 HA SER A 3 0.632 -24.332 -1.459 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.249 -25.739 -3.237 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.162 -26.048 -1.773 1.00 0.00 H new ATOM 0 HG SER A 3 -2.140 -24.018 -3.463 1.00 0.00 H new ATOM 30 N GLY A 4 1.155 -22.728 -3.263 1.00 0.00 N ATOM 31 CA GLY A 4 1.481 -21.717 -4.251 1.00 0.00 C ATOM 32 C GLY A 4 1.083 -20.323 -3.808 1.00 0.00 C ATOM 33 O GLY A 4 0.117 -19.755 -4.315 1.00 0.00 O ATOM 0 H GLY A 4 1.959 -23.209 -2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.553 -21.740 -4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.978 -21.954 -5.189 1.00 0.00 H new ATOM 37 N SER A 5 1.830 -19.771 -2.856 1.00 0.00 N ATOM 38 CA SER A 5 1.547 -18.437 -2.340 1.00 0.00 C ATOM 39 C SER A 5 2.232 -17.370 -3.189 1.00 0.00 C ATOM 40 O SER A 5 3.432 -17.131 -3.056 1.00 0.00 O ATOM 41 CB SER A 5 2.007 -18.321 -0.886 1.00 0.00 C ATOM 42 OG SER A 5 1.340 -17.262 -0.222 1.00 0.00 O ATOM 0 H SER A 5 2.635 -20.227 -2.427 1.00 0.00 H new ATOM 0 HA SER A 5 0.470 -18.277 -2.386 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.815 -19.259 -0.365 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.084 -18.153 -0.854 1.00 0.00 H new ATOM 0 HG SER A 5 1.651 -17.210 0.706 1.00 0.00 H new ATOM 48 N SER A 6 1.459 -16.730 -4.061 1.00 0.00 N ATOM 49 CA SER A 6 1.990 -15.691 -4.935 1.00 0.00 C ATOM 50 C SER A 6 1.291 -14.359 -4.682 1.00 0.00 C ATOM 51 O SER A 6 0.366 -13.983 -5.401 1.00 0.00 O ATOM 52 CB SER A 6 1.827 -16.095 -6.401 1.00 0.00 C ATOM 53 OG SER A 6 2.424 -15.141 -7.263 1.00 0.00 O ATOM 0 H SER A 6 0.463 -16.913 -4.181 1.00 0.00 H new ATOM 0 HA SER A 6 3.051 -15.573 -4.714 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.281 -17.072 -6.565 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.768 -16.192 -6.639 1.00 0.00 H new ATOM 0 HG SER A 6 2.307 -15.423 -8.194 1.00 0.00 H new ATOM 59 N GLY A 7 1.741 -13.647 -3.652 1.00 0.00 N ATOM 60 CA GLY A 7 1.148 -12.365 -3.321 1.00 0.00 C ATOM 61 C GLY A 7 1.959 -11.598 -2.296 1.00 0.00 C ATOM 62 O GLY A 7 2.097 -12.032 -1.153 1.00 0.00 O ATOM 0 H GLY A 7 2.505 -13.936 -3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.055 -11.767 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.140 -12.523 -2.938 1.00 0.00 H new ATOM 66 N ASN A 8 2.500 -10.455 -2.705 1.00 0.00 N ATOM 67 CA ASN A 8 3.304 -9.627 -1.814 1.00 0.00 C ATOM 68 C ASN A 8 2.434 -8.608 -1.085 1.00 0.00 C ATOM 69 O ASN A 8 1.762 -7.788 -1.711 1.00 0.00 O ATOM 70 CB ASN A 8 4.400 -8.908 -2.603 1.00 0.00 C ATOM 71 CG ASN A 8 5.175 -9.848 -3.505 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.657 -10.327 -4.514 1.00 0.00 O ATOM 73 ND2 ASN A 8 6.425 -10.117 -3.145 1.00 0.00 N ATOM 0 H ASN A 8 2.396 -10.081 -3.648 1.00 0.00 H new ATOM 0 HA ASN A 8 3.767 -10.278 -1.073 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.951 -8.118 -3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.088 -8.427 -1.908 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.996 -10.743 -3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.814 -9.698 -2.300 1.00 0.00 H new ATOM 80 N THR A 9 2.452 -8.665 0.243 1.00 0.00 N ATOM 81 CA THR A 9 1.665 -7.748 1.058 1.00 0.00 C ATOM 82 C THR A 9 2.545 -6.666 1.674 1.00 0.00 C ATOM 83 O THR A 9 3.721 -6.896 1.957 1.00 0.00 O ATOM 84 CB THR A 9 0.923 -8.493 2.184 1.00 0.00 C ATOM 85 OG1 THR A 9 0.276 -9.657 1.658 1.00 0.00 O ATOM 86 CG2 THR A 9 -0.107 -7.589 2.843 1.00 0.00 C ATOM 0 H THR A 9 3.003 -9.337 0.777 1.00 0.00 H new ATOM 0 HA THR A 9 0.934 -7.284 0.396 1.00 0.00 H new ATOM 0 HB THR A 9 1.654 -8.792 2.935 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.192 -10.126 2.380 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.618 -8.137 3.635 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.392 -6.718 3.268 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.834 -7.263 2.099 1.00 0.00 H new ATOM 94 N TYR A 10 1.968 -5.488 1.880 1.00 0.00 N ATOM 95 CA TYR A 10 2.701 -4.369 2.461 1.00 0.00 C ATOM 96 C TYR A 10 1.862 -3.658 3.518 1.00 0.00 C ATOM 97 O TYR A 10 0.676 -3.399 3.315 1.00 0.00 O ATOM 98 CB TYR A 10 3.112 -3.379 1.369 1.00 0.00 C ATOM 99 CG TYR A 10 4.173 -3.914 0.435 1.00 0.00 C ATOM 100 CD1 TYR A 10 3.918 -5.007 -0.385 1.00 0.00 C ATOM 101 CD2 TYR A 10 5.430 -3.326 0.371 1.00 0.00 C ATOM 102 CE1 TYR A 10 4.885 -5.499 -1.240 1.00 0.00 C ATOM 103 CE2 TYR A 10 6.403 -3.811 -0.482 1.00 0.00 C ATOM 104 CZ TYR A 10 6.126 -4.898 -1.285 1.00 0.00 C ATOM 105 OH TYR A 10 7.092 -5.385 -2.136 1.00 0.00 O ATOM 0 H TYR A 10 0.995 -5.283 1.653 1.00 0.00 H new ATOM 0 HA TYR A 10 3.597 -4.764 2.940 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.231 -3.107 0.787 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.479 -2.466 1.838 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.947 -5.480 -0.353 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.651 -2.475 0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.671 -6.350 -1.870 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.375 -3.342 -0.520 1.00 0.00 H new ATOM 0 HH TYR A 10 7.810 -4.724 -2.228 1.00 0.00 H new ATOM 115 N VAL A 11 2.487 -3.346 4.649 1.00 0.00 N ATOM 116 CA VAL A 11 1.800 -2.663 5.739 1.00 0.00 C ATOM 117 C VAL A 11 2.159 -1.182 5.773 1.00 0.00 C ATOM 118 O VAL A 11 3.289 -0.800 5.472 1.00 0.00 O ATOM 119 CB VAL A 11 2.143 -3.295 7.101 1.00 0.00 C ATOM 120 CG1 VAL A 11 3.591 -3.013 7.471 1.00 0.00 C ATOM 121 CG2 VAL A 11 1.199 -2.782 8.178 1.00 0.00 C ATOM 0 H VAL A 11 3.468 -3.555 4.834 1.00 0.00 H new ATOM 0 HA VAL A 11 0.731 -2.770 5.556 1.00 0.00 H new ATOM 0 HB VAL A 11 2.017 -4.375 7.024 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.815 -3.467 8.436 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.249 -3.433 6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.748 -1.936 7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.455 -3.239 9.134 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.291 -1.699 8.257 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.173 -3.041 7.916 1.00 0.00 H new ATOM 131 N ALA A 12 1.189 -0.352 6.142 1.00 0.00 N ATOM 132 CA ALA A 12 1.403 1.088 6.218 1.00 0.00 C ATOM 133 C ALA A 12 2.133 1.467 7.502 1.00 0.00 C ATOM 134 O ALA A 12 1.746 1.052 8.595 1.00 0.00 O ATOM 135 CB ALA A 12 0.075 1.825 6.127 1.00 0.00 C ATOM 0 H ALA A 12 0.247 -0.652 6.393 1.00 0.00 H new ATOM 0 HA ALA A 12 2.028 1.382 5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.250 2.899 6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.409 1.587 5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.569 1.517 6.951 1.00 0.00 H new ATOM 141 N LEU A 13 3.192 2.257 7.364 1.00 0.00 N ATOM 142 CA LEU A 13 3.978 2.693 8.513 1.00 0.00 C ATOM 143 C LEU A 13 3.459 4.020 9.056 1.00 0.00 C ATOM 144 O LEU A 13 3.661 4.345 10.227 1.00 0.00 O ATOM 145 CB LEU A 13 5.452 2.828 8.127 1.00 0.00 C ATOM 146 CG LEU A 13 6.104 1.583 7.525 1.00 0.00 C ATOM 147 CD1 LEU A 13 7.264 1.973 6.622 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.575 0.642 8.624 1.00 0.00 C ATOM 0 H LEU A 13 3.526 2.609 6.467 1.00 0.00 H new ATOM 0 HA LEU A 13 3.882 1.939 9.294 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.546 3.645 7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.015 3.115 9.015 1.00 0.00 H new ATOM 0 HG LEU A 13 5.360 1.062 6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.716 1.075 6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.899 2.607 5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.009 2.517 7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.036 -0.238 8.176 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.304 1.153 9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.723 0.336 9.231 1.00 0.00 H new ATOM 160 N TYR A 14 2.788 4.782 8.200 1.00 0.00 N ATOM 161 CA TYR A 14 2.240 6.075 8.593 1.00 0.00 C ATOM 162 C TYR A 14 0.947 6.371 7.838 1.00 0.00 C ATOM 163 O TYR A 14 0.651 5.745 6.820 1.00 0.00 O ATOM 164 CB TYR A 14 3.260 7.185 8.335 1.00 0.00 C ATOM 165 CG TYR A 14 4.695 6.741 8.510 1.00 0.00 C ATOM 166 CD1 TYR A 14 5.405 6.189 7.451 1.00 0.00 C ATOM 167 CD2 TYR A 14 5.340 6.873 9.733 1.00 0.00 C ATOM 168 CE1 TYR A 14 6.716 5.781 7.606 1.00 0.00 C ATOM 169 CE2 TYR A 14 6.651 6.469 9.897 1.00 0.00 C ATOM 170 CZ TYR A 14 7.335 5.924 8.830 1.00 0.00 C ATOM 171 OH TYR A 14 8.640 5.520 8.990 1.00 0.00 O ATOM 0 H TYR A 14 2.610 4.527 7.229 1.00 0.00 H new ATOM 0 HA TYR A 14 2.017 6.037 9.659 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.126 7.562 7.321 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.060 8.015 9.012 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.924 6.077 6.490 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.807 7.299 10.570 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.253 5.352 6.773 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.138 6.579 10.855 1.00 0.00 H new ATOM 0 HH TYR A 14 8.925 5.692 9.912 1.00 0.00 H new ATOM 181 N LYS A 15 0.181 7.330 8.346 1.00 0.00 N ATOM 182 CA LYS A 15 -1.080 7.713 7.721 1.00 0.00 C ATOM 183 C LYS A 15 -0.835 8.555 6.473 1.00 0.00 C ATOM 184 O LYS A 15 -0.034 9.490 6.490 1.00 0.00 O ATOM 185 CB LYS A 15 -1.948 8.492 8.712 1.00 0.00 C ATOM 186 CG LYS A 15 -3.167 9.137 8.076 1.00 0.00 C ATOM 187 CD LYS A 15 -4.209 9.508 9.119 1.00 0.00 C ATOM 188 CE LYS A 15 -5.302 10.385 8.527 1.00 0.00 C ATOM 189 NZ LYS A 15 -6.568 10.295 9.306 1.00 0.00 N ATOM 0 H LYS A 15 0.411 7.857 9.189 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.602 6.803 7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.275 7.818 9.503 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.342 9.266 9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.864 10.030 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.605 8.452 7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.652 8.601 9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.728 10.032 9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.963 11.421 8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.488 10.086 7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.288 10.907 8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.905 9.311 9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.397 10.604 10.284 1.00 0.00 H new ATOM 203 N PHE A 16 -1.531 8.218 5.392 1.00 0.00 N ATOM 204 CA PHE A 16 -1.388 8.944 4.135 1.00 0.00 C ATOM 205 C PHE A 16 -2.590 9.853 3.893 1.00 0.00 C ATOM 206 O PHE A 16 -3.706 9.551 4.314 1.00 0.00 O ATOM 207 CB PHE A 16 -1.235 7.963 2.970 1.00 0.00 C ATOM 208 CG PHE A 16 -0.921 8.631 1.662 1.00 0.00 C ATOM 209 CD1 PHE A 16 0.391 8.872 1.289 1.00 0.00 C ATOM 210 CD2 PHE A 16 -1.939 9.019 0.805 1.00 0.00 C ATOM 211 CE1 PHE A 16 0.684 9.486 0.085 1.00 0.00 C ATOM 212 CE2 PHE A 16 -1.653 9.633 -0.400 1.00 0.00 C ATOM 213 CZ PHE A 16 -0.340 9.868 -0.759 1.00 0.00 C ATOM 0 H PHE A 16 -2.199 7.448 5.361 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.493 9.563 4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.443 7.252 3.205 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.156 7.390 2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.195 8.577 1.947 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.967 8.840 1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.711 9.666 -0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.455 9.929 -1.060 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.115 10.350 -1.699 1.00 0.00 H new ATOM 223 N VAL A 17 -2.351 10.970 3.212 1.00 0.00 N ATOM 224 CA VAL A 17 -3.412 11.924 2.914 1.00 0.00 C ATOM 225 C VAL A 17 -3.507 12.190 1.415 1.00 0.00 C ATOM 226 O VAL A 17 -2.789 13.022 0.860 1.00 0.00 O ATOM 227 CB VAL A 17 -3.188 13.260 3.647 1.00 0.00 C ATOM 228 CG1 VAL A 17 -4.289 14.251 3.301 1.00 0.00 C ATOM 229 CG2 VAL A 17 -3.114 13.036 5.150 1.00 0.00 C ATOM 0 H VAL A 17 -1.432 11.236 2.857 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.344 11.479 3.262 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.238 13.680 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.113 15.189 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.290 14.434 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.254 13.842 3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.955 13.990 5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.047 12.593 5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.286 12.364 5.377 1.00 0.00 H new ATOM 239 N PRO A 18 -4.414 11.466 0.742 1.00 0.00 N ATOM 240 CA PRO A 18 -4.625 11.606 -0.701 1.00 0.00 C ATOM 241 C PRO A 18 -5.273 12.937 -1.066 1.00 0.00 C ATOM 242 O PRO A 18 -6.399 13.221 -0.659 1.00 0.00 O ATOM 243 CB PRO A 18 -5.565 10.444 -1.036 1.00 0.00 C ATOM 244 CG PRO A 18 -6.282 10.158 0.238 1.00 0.00 C ATOM 245 CD PRO A 18 -5.303 10.455 1.340 1.00 0.00 C ATOM 0 HA PRO A 18 -3.686 11.586 -1.254 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.261 10.714 -1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.009 9.572 -1.382 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.174 10.777 0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.610 9.119 0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.803 10.836 2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.753 9.563 1.640 1.00 0.00 H new ATOM 253 N GLN A 19 -4.555 13.748 -1.835 1.00 0.00 N ATOM 254 CA GLN A 19 -5.061 15.050 -2.254 1.00 0.00 C ATOM 255 C GLN A 19 -6.228 14.894 -3.223 1.00 0.00 C ATOM 256 O GLN A 19 -7.170 15.686 -3.206 1.00 0.00 O ATOM 257 CB GLN A 19 -3.946 15.868 -2.908 1.00 0.00 C ATOM 258 CG GLN A 19 -4.380 17.264 -3.325 1.00 0.00 C ATOM 259 CD GLN A 19 -3.214 18.135 -3.750 1.00 0.00 C ATOM 260 OE1 GLN A 19 -2.146 17.634 -4.103 1.00 0.00 O ATOM 261 NE2 GLN A 19 -3.414 19.448 -3.718 1.00 0.00 N ATOM 0 H GLN A 19 -3.621 13.527 -2.181 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.416 15.576 -1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.110 15.949 -2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.581 15.333 -3.785 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.091 17.189 -4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.902 17.741 -2.495 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.316 19.819 -3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.666 20.085 -3.993 1.00 0.00 H new ATOM 270 N GLU A 20 -6.159 13.869 -4.066 1.00 0.00 N ATOM 271 CA GLU A 20 -7.210 13.611 -5.043 1.00 0.00 C ATOM 272 C GLU A 20 -7.627 12.143 -5.018 1.00 0.00 C ATOM 273 O GLU A 20 -6.871 11.280 -4.577 1.00 0.00 O ATOM 274 CB GLU A 20 -6.738 13.995 -6.447 1.00 0.00 C ATOM 275 CG GLU A 20 -6.863 15.479 -6.746 1.00 0.00 C ATOM 276 CD GLU A 20 -8.257 15.868 -7.199 1.00 0.00 C ATOM 277 OE1 GLU A 20 -8.695 15.377 -8.261 1.00 0.00 O ATOM 278 OE2 GLU A 20 -8.911 16.662 -6.491 1.00 0.00 O ATOM 0 H GLU A 20 -5.386 13.204 -4.092 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.074 14.221 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.697 13.695 -6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.317 13.435 -7.182 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.603 16.049 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.145 15.752 -7.519 1.00 0.00 H new ATOM 285 N ASN A 21 -8.837 11.870 -5.496 1.00 0.00 N ATOM 286 CA ASN A 21 -9.357 10.508 -5.528 1.00 0.00 C ATOM 287 C ASN A 21 -8.282 9.526 -5.985 1.00 0.00 C ATOM 288 O ASN A 21 -8.068 8.489 -5.358 1.00 0.00 O ATOM 289 CB ASN A 21 -10.568 10.424 -6.459 1.00 0.00 C ATOM 290 CG ASN A 21 -11.833 10.952 -5.810 1.00 0.00 C ATOM 291 OD1 ASN A 21 -12.622 10.191 -5.251 1.00 0.00 O ATOM 292 ND2 ASN A 21 -12.031 12.264 -5.883 1.00 0.00 N ATOM 0 H ASN A 21 -9.475 12.574 -5.866 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.664 10.239 -4.517 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.365 10.991 -7.367 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.722 9.387 -6.758 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.864 12.678 -5.465 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.350 12.857 -6.357 1.00 0.00 H new ATOM 299 N GLU A 22 -7.608 9.863 -7.080 1.00 0.00 N ATOM 300 CA GLU A 22 -6.555 9.011 -7.620 1.00 0.00 C ATOM 301 C GLU A 22 -5.716 8.405 -6.499 1.00 0.00 C ATOM 302 O GLU A 22 -5.429 7.208 -6.500 1.00 0.00 O ATOM 303 CB GLU A 22 -5.658 9.809 -8.569 1.00 0.00 C ATOM 304 CG GLU A 22 -6.392 10.359 -9.781 1.00 0.00 C ATOM 305 CD GLU A 22 -6.433 9.376 -10.934 1.00 0.00 C ATOM 306 OE1 GLU A 22 -6.502 8.157 -10.673 1.00 0.00 O ATOM 307 OE2 GLU A 22 -6.398 9.826 -12.098 1.00 0.00 O ATOM 0 H GLU A 22 -7.772 10.719 -7.610 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.028 8.201 -8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.208 10.637 -8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.842 9.170 -8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.411 10.621 -9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.906 11.278 -10.109 1.00 0.00 H new ATOM 314 N ASP A 23 -5.325 9.242 -5.543 1.00 0.00 N ATOM 315 CA ASP A 23 -4.519 8.790 -4.415 1.00 0.00 C ATOM 316 C ASP A 23 -5.339 7.907 -3.480 1.00 0.00 C ATOM 317 O ASP A 23 -6.570 7.922 -3.516 1.00 0.00 O ATOM 318 CB ASP A 23 -3.963 9.990 -3.646 1.00 0.00 C ATOM 319 CG ASP A 23 -3.052 10.852 -4.498 1.00 0.00 C ATOM 320 OD1 ASP A 23 -3.175 10.799 -5.740 1.00 0.00 O ATOM 321 OD2 ASP A 23 -2.218 11.581 -3.923 1.00 0.00 O ATOM 0 H ASP A 23 -5.553 10.236 -5.527 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.689 8.201 -4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.790 10.596 -3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.413 9.636 -2.774 1.00 0.00 H new ATOM 326 N LEU A 24 -4.649 7.138 -2.645 1.00 0.00 N ATOM 327 CA LEU A 24 -5.314 6.246 -1.701 1.00 0.00 C ATOM 328 C LEU A 24 -4.988 6.636 -0.263 1.00 0.00 C ATOM 329 O LEU A 24 -3.867 7.042 0.041 1.00 0.00 O ATOM 330 CB LEU A 24 -4.895 4.797 -1.956 1.00 0.00 C ATOM 331 CG LEU A 24 -5.033 3.840 -0.772 1.00 0.00 C ATOM 332 CD1 LEU A 24 -6.487 3.442 -0.573 1.00 0.00 C ATOM 333 CD2 LEU A 24 -4.164 2.608 -0.978 1.00 0.00 C ATOM 0 H LEU A 24 -3.630 7.114 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.390 6.337 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.489 4.408 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.855 4.793 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.693 4.354 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.565 2.761 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.085 4.333 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.855 2.947 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.275 1.938 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.473 2.093 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.121 2.910 -1.069 1.00 0.00 H new ATOM 345 N GLU A 25 -5.975 6.507 0.618 1.00 0.00 N ATOM 346 CA GLU A 25 -5.792 6.844 2.025 1.00 0.00 C ATOM 347 C GLU A 25 -5.479 5.598 2.848 1.00 0.00 C ATOM 348 O GLU A 25 -6.197 4.601 2.781 1.00 0.00 O ATOM 349 CB GLU A 25 -7.044 7.531 2.575 1.00 0.00 C ATOM 350 CG GLU A 25 -6.773 8.412 3.783 1.00 0.00 C ATOM 351 CD GLU A 25 -7.904 9.384 4.061 1.00 0.00 C ATOM 352 OE1 GLU A 25 -8.907 8.967 4.677 1.00 0.00 O ATOM 353 OE2 GLU A 25 -7.785 10.561 3.662 1.00 0.00 O ATOM 0 H GLU A 25 -6.909 6.172 0.382 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.947 7.529 2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.492 8.137 1.787 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.776 6.770 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.616 7.783 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.851 8.970 3.622 1.00 0.00 H new ATOM 360 N MET A 26 -4.400 5.662 3.622 1.00 0.00 N ATOM 361 CA MET A 26 -3.992 4.539 4.458 1.00 0.00 C ATOM 362 C MET A 26 -3.592 5.015 5.851 1.00 0.00 C ATOM 363 O MET A 26 -3.290 6.191 6.052 1.00 0.00 O ATOM 364 CB MET A 26 -2.827 3.789 3.808 1.00 0.00 C ATOM 365 CG MET A 26 -1.939 4.674 2.949 1.00 0.00 C ATOM 366 SD MET A 26 -0.568 3.769 2.206 1.00 0.00 S ATOM 367 CE MET A 26 0.819 4.790 2.699 1.00 0.00 C ATOM 0 H MET A 26 -3.793 6.479 3.687 1.00 0.00 H new ATOM 0 HA MET A 26 -4.841 3.863 4.555 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.221 3.329 4.589 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.223 2.981 3.194 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.539 5.128 2.161 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.545 5.487 3.558 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.732 4.194 2.688 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.922 5.624 2.005 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.649 5.174 3.705 1.00 0.00 H new ATOM 377 N ARG A 27 -3.594 4.094 6.809 1.00 0.00 N ATOM 378 CA ARG A 27 -3.233 4.421 8.183 1.00 0.00 C ATOM 379 C ARG A 27 -2.091 3.534 8.671 1.00 0.00 C ATOM 380 O ARG A 27 -1.805 2.480 8.104 1.00 0.00 O ATOM 381 CB ARG A 27 -4.445 4.262 9.103 1.00 0.00 C ATOM 382 CG ARG A 27 -5.265 5.533 9.254 1.00 0.00 C ATOM 383 CD ARG A 27 -6.470 5.314 10.156 1.00 0.00 C ATOM 384 NE ARG A 27 -6.119 5.404 11.570 1.00 0.00 N ATOM 385 CZ ARG A 27 -5.866 6.549 12.193 1.00 0.00 C ATOM 386 NH1 ARG A 27 -5.925 7.696 11.530 1.00 0.00 N ATOM 387 NH2 ARG A 27 -5.553 6.550 13.483 1.00 0.00 N ATOM 0 H ARG A 27 -3.841 3.116 6.659 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.900 5.459 8.207 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.085 3.471 8.713 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.104 3.940 10.087 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.639 6.324 9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.600 5.870 8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.235 6.055 9.925 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.902 4.335 9.952 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.065 4.540 12.109 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.165 7.700 10.539 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.730 8.574 12.011 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.507 5.670 13.997 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.359 7.430 13.960 1.00 0.00 H new ATOM 401 N PRO A 28 -1.421 3.971 9.748 1.00 0.00 N ATOM 402 CA PRO A 28 -0.300 3.232 10.336 1.00 0.00 C ATOM 403 C PRO A 28 -0.748 1.942 11.015 1.00 0.00 C ATOM 404 O PRO A 28 -0.967 1.911 12.226 1.00 0.00 O ATOM 405 CB PRO A 28 0.268 4.210 11.367 1.00 0.00 C ATOM 406 CG PRO A 28 -0.878 5.093 11.723 1.00 0.00 C ATOM 407 CD PRO A 28 -1.707 5.219 10.475 1.00 0.00 C ATOM 0 HA PRO A 28 0.422 2.920 9.582 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.650 3.685 12.242 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.097 4.784 10.953 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.462 4.665 12.538 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.529 6.069 12.060 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.768 5.316 10.705 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.426 6.097 9.893 1.00 0.00 H new ATOM 415 N GLY A 29 -0.882 0.879 10.228 1.00 0.00 N ATOM 416 CA GLY A 29 -1.303 -0.399 10.773 1.00 0.00 C ATOM 417 C GLY A 29 -2.332 -1.089 9.900 1.00 0.00 C ATOM 418 O GLY A 29 -3.179 -1.833 10.397 1.00 0.00 O ATOM 0 H GLY A 29 -0.707 0.880 9.223 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.434 -1.047 10.886 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.719 -0.247 11.769 1.00 0.00 H new ATOM 422 N ASP A 30 -2.261 -0.843 8.597 1.00 0.00 N ATOM 423 CA ASP A 30 -3.195 -1.447 7.653 1.00 0.00 C ATOM 424 C ASP A 30 -2.502 -2.515 6.812 1.00 0.00 C ATOM 425 O ASP A 30 -1.274 -2.585 6.768 1.00 0.00 O ATOM 426 CB ASP A 30 -3.797 -0.376 6.743 1.00 0.00 C ATOM 427 CG ASP A 30 -5.186 -0.742 6.257 1.00 0.00 C ATOM 428 OD1 ASP A 30 -5.320 -1.772 5.563 1.00 0.00 O ATOM 429 OD2 ASP A 30 -6.139 0.000 6.572 1.00 0.00 O ATOM 0 H ASP A 30 -1.567 -0.230 8.170 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.995 -1.920 8.223 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.842 0.571 7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.143 -0.224 5.884 1.00 0.00 H new ATOM 434 N ILE A 31 -3.299 -3.346 6.148 1.00 0.00 N ATOM 435 CA ILE A 31 -2.762 -4.411 5.309 1.00 0.00 C ATOM 436 C ILE A 31 -3.067 -4.157 3.836 1.00 0.00 C ATOM 437 O ILE A 31 -4.165 -4.447 3.361 1.00 0.00 O ATOM 438 CB ILE A 31 -3.331 -5.784 5.710 1.00 0.00 C ATOM 439 CG1 ILE A 31 -3.027 -6.077 7.180 1.00 0.00 C ATOM 440 CG2 ILE A 31 -2.759 -6.876 4.817 1.00 0.00 C ATOM 441 CD1 ILE A 31 -1.552 -6.244 7.470 1.00 0.00 C ATOM 0 H ILE A 31 -4.318 -3.302 6.175 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.682 -4.417 5.458 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.413 -5.764 5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.420 -5.266 7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.553 -6.984 7.478 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.171 -7.841 5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.022 -6.672 3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.674 -6.898 4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.411 -6.449 8.531 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.158 -7.074 6.884 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.023 -5.329 7.204 1.00 0.00 H new ATOM 453 N ILE A 32 -2.088 -3.615 3.120 1.00 0.00 N ATOM 454 CA ILE A 32 -2.251 -3.325 1.701 1.00 0.00 C ATOM 455 C ILE A 32 -1.711 -4.463 0.842 1.00 0.00 C ATOM 456 O ILE A 32 -0.698 -5.079 1.173 1.00 0.00 O ATOM 457 CB ILE A 32 -1.539 -2.017 1.308 1.00 0.00 C ATOM 458 CG1 ILE A 32 -2.073 -0.850 2.140 1.00 0.00 C ATOM 459 CG2 ILE A 32 -1.718 -1.742 -0.177 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.312 -0.628 3.428 1.00 0.00 C ATOM 0 H ILE A 32 -1.174 -3.368 3.499 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.321 -3.214 1.522 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.474 -2.125 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.032 0.060 1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.122 -1.031 2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.209 -0.814 -0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.293 -2.564 -0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.780 -1.650 -0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.746 0.215 3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.374 -1.524 4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.267 -0.415 3.201 1.00 0.00 H new ATOM 472 N THR A 33 -2.394 -4.736 -0.266 1.00 0.00 N ATOM 473 CA THR A 33 -1.983 -5.800 -1.174 1.00 0.00 C ATOM 474 C THR A 33 -1.367 -5.229 -2.447 1.00 0.00 C ATOM 475 O THR A 33 -2.062 -4.636 -3.273 1.00 0.00 O ATOM 476 CB THR A 33 -3.170 -6.705 -1.553 1.00 0.00 C ATOM 477 OG1 THR A 33 -3.729 -7.298 -0.376 1.00 0.00 O ATOM 478 CG2 THR A 33 -2.732 -7.797 -2.518 1.00 0.00 C ATOM 0 H THR A 33 -3.234 -4.235 -0.556 1.00 0.00 H new ATOM 0 HA THR A 33 -1.237 -6.394 -0.647 1.00 0.00 H new ATOM 0 HB THR A 33 -3.925 -6.090 -2.043 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.484 -7.871 -0.625 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.587 -8.423 -2.771 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.334 -7.343 -3.425 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.961 -8.408 -2.050 1.00 0.00 H new ATOM 486 N LEU A 34 -0.061 -5.412 -2.600 1.00 0.00 N ATOM 487 CA LEU A 34 0.649 -4.915 -3.774 1.00 0.00 C ATOM 488 C LEU A 34 0.138 -5.588 -5.044 1.00 0.00 C ATOM 489 O LEU A 34 0.395 -6.769 -5.280 1.00 0.00 O ATOM 490 CB LEU A 34 2.152 -5.155 -3.625 1.00 0.00 C ATOM 491 CG LEU A 34 3.065 -4.198 -4.393 1.00 0.00 C ATOM 492 CD1 LEU A 34 2.990 -2.799 -3.802 1.00 0.00 C ATOM 493 CD2 LEU A 34 4.499 -4.707 -4.386 1.00 0.00 C ATOM 0 H LEU A 34 0.529 -5.901 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 34 0.465 -3.844 -3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.406 -5.096 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.371 -6.172 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 34 2.723 -4.152 -5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.646 -2.132 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.965 -2.433 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.305 -2.827 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.134 -4.013 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.853 -4.784 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.539 -5.689 -4.858 1.00 0.00 H new ATOM 505 N LEU A 35 -0.584 -4.828 -5.860 1.00 0.00 N ATOM 506 CA LEU A 35 -1.129 -5.350 -7.108 1.00 0.00 C ATOM 507 C LEU A 35 -0.170 -5.099 -8.268 1.00 0.00 C ATOM 508 O LEU A 35 0.123 -6.004 -9.049 1.00 0.00 O ATOM 509 CB LEU A 35 -2.485 -4.706 -7.404 1.00 0.00 C ATOM 510 CG LEU A 35 -3.493 -4.707 -6.255 1.00 0.00 C ATOM 511 CD1 LEU A 35 -4.624 -3.731 -6.536 1.00 0.00 C ATOM 512 CD2 LEU A 35 -4.040 -6.108 -6.026 1.00 0.00 C ATOM 0 H LEU A 35 -0.805 -3.849 -5.680 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.261 -6.426 -6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.315 -3.674 -7.711 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.932 -5.222 -8.254 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.981 -4.386 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.332 -3.746 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.218 -2.726 -6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.135 -4.021 -7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.756 -6.089 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.536 -6.457 -6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.221 -6.782 -5.778 1.00 0.00 H new ATOM 524 N GLU A 36 0.315 -3.866 -8.372 1.00 0.00 N ATOM 525 CA GLU A 36 1.242 -3.498 -9.435 1.00 0.00 C ATOM 526 C GLU A 36 2.555 -2.978 -8.857 1.00 0.00 C ATOM 527 O GLU A 36 2.560 -2.178 -7.922 1.00 0.00 O ATOM 528 CB GLU A 36 0.616 -2.437 -10.343 1.00 0.00 C ATOM 529 CG GLU A 36 1.106 -2.499 -11.780 1.00 0.00 C ATOM 530 CD GLU A 36 0.397 -1.507 -12.681 1.00 0.00 C ATOM 531 OE1 GLU A 36 0.010 -0.427 -12.188 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.229 -1.811 -13.881 1.00 0.00 O ATOM 0 H GLU A 36 0.081 -3.106 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 36 1.453 -4.391 -10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.468 -2.555 -10.332 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.833 -1.449 -9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.178 -2.303 -11.803 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.957 -3.507 -12.168 1.00 0.00 H new ATOM 539 N ASP A 37 3.666 -3.439 -9.421 1.00 0.00 N ATOM 540 CA ASP A 37 4.986 -3.021 -8.962 1.00 0.00 C ATOM 541 C ASP A 37 5.860 -2.595 -10.138 1.00 0.00 C ATOM 542 O ASP A 37 7.077 -2.778 -10.118 1.00 0.00 O ATOM 543 CB ASP A 37 5.665 -4.154 -8.191 1.00 0.00 C ATOM 544 CG ASP A 37 6.030 -5.324 -9.084 1.00 0.00 C ATOM 545 OD1 ASP A 37 7.039 -5.222 -9.812 1.00 0.00 O ATOM 546 OD2 ASP A 37 5.306 -6.342 -9.055 1.00 0.00 O ATOM 0 H ASP A 37 3.679 -4.102 -10.196 1.00 0.00 H new ATOM 0 HA ASP A 37 4.858 -2.166 -8.298 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.566 -3.773 -7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.001 -4.499 -7.398 1.00 0.00 H new ATOM 551 N SER A 38 5.230 -2.026 -11.161 1.00 0.00 N ATOM 552 CA SER A 38 5.949 -1.578 -12.348 1.00 0.00 C ATOM 553 C SER A 38 6.907 -0.441 -12.006 1.00 0.00 C ATOM 554 O SER A 38 8.012 -0.364 -12.541 1.00 0.00 O ATOM 555 CB SER A 38 4.964 -1.124 -13.426 1.00 0.00 C ATOM 556 OG SER A 38 5.644 -0.736 -14.608 1.00 0.00 O ATOM 0 H SER A 38 4.223 -1.864 -11.192 1.00 0.00 H new ATOM 0 HA SER A 38 6.531 -2.418 -12.729 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.269 -1.933 -13.652 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.371 -0.289 -13.053 1.00 0.00 H new ATOM 0 HG SER A 38 4.992 -0.452 -15.282 1.00 0.00 H new ATOM 562 N ASN A 39 6.474 0.440 -11.110 1.00 0.00 N ATOM 563 CA ASN A 39 7.292 1.574 -10.696 1.00 0.00 C ATOM 564 C ASN A 39 8.251 1.174 -9.579 1.00 0.00 C ATOM 565 O ASN A 39 8.298 0.013 -9.174 1.00 0.00 O ATOM 566 CB ASN A 39 6.402 2.728 -10.230 1.00 0.00 C ATOM 567 CG ASN A 39 5.640 3.369 -11.374 1.00 0.00 C ATOM 568 OD1 ASN A 39 6.224 3.739 -12.393 1.00 0.00 O ATOM 569 ND2 ASN A 39 4.329 3.504 -11.210 1.00 0.00 N ATOM 0 H ASN A 39 5.562 0.390 -10.657 1.00 0.00 H new ATOM 0 HA ASN A 39 7.879 1.900 -11.555 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.695 2.360 -9.487 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.017 3.482 -9.739 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.764 3.929 -11.945 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.887 3.183 -10.349 1.00 0.00 H new ATOM 576 N GLU A 40 9.015 2.144 -9.086 1.00 0.00 N ATOM 577 CA GLU A 40 9.973 1.893 -8.017 1.00 0.00 C ATOM 578 C GLU A 40 9.687 2.782 -6.810 1.00 0.00 C ATOM 579 O GLU A 40 9.702 2.320 -5.668 1.00 0.00 O ATOM 580 CB GLU A 40 11.400 2.132 -8.514 1.00 0.00 C ATOM 581 CG GLU A 40 12.442 2.103 -7.408 1.00 0.00 C ATOM 582 CD GLU A 40 13.828 1.761 -7.921 1.00 0.00 C ATOM 583 OE1 GLU A 40 14.482 2.652 -8.503 1.00 0.00 O ATOM 584 OE2 GLU A 40 14.257 0.602 -7.741 1.00 0.00 O ATOM 0 H GLU A 40 8.989 3.111 -9.410 1.00 0.00 H new ATOM 0 HA GLU A 40 9.872 0.852 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.649 1.374 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.444 3.098 -9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.471 3.075 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.147 1.372 -6.655 1.00 0.00 H new ATOM 591 N ASP A 41 9.428 4.058 -7.071 1.00 0.00 N ATOM 592 CA ASP A 41 9.138 5.012 -6.007 1.00 0.00 C ATOM 593 C ASP A 41 7.763 4.750 -5.401 1.00 0.00 C ATOM 594 O ASP A 41 7.645 4.435 -4.217 1.00 0.00 O ATOM 595 CB ASP A 41 9.207 6.443 -6.543 1.00 0.00 C ATOM 596 CG ASP A 41 9.082 7.480 -5.445 1.00 0.00 C ATOM 597 OD1 ASP A 41 8.480 7.165 -4.397 1.00 0.00 O ATOM 598 OD2 ASP A 41 9.586 8.607 -5.632 1.00 0.00 O ATOM 0 H ASP A 41 9.413 4.456 -8.010 1.00 0.00 H new ATOM 0 HA ASP A 41 9.889 4.887 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.152 6.586 -7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.411 6.593 -7.273 1.00 0.00 H new ATOM 603 N TRP A 42 6.726 4.882 -6.220 1.00 0.00 N ATOM 604 CA TRP A 42 5.358 4.660 -5.765 1.00 0.00 C ATOM 605 C TRP A 42 4.844 3.301 -6.227 1.00 0.00 C ATOM 606 O TRP A 42 5.215 2.819 -7.297 1.00 0.00 O ATOM 607 CB TRP A 42 4.440 5.769 -6.281 1.00 0.00 C ATOM 608 CG TRP A 42 4.758 7.118 -5.710 1.00 0.00 C ATOM 609 CD1 TRP A 42 5.959 7.766 -5.760 1.00 0.00 C ATOM 610 CD2 TRP A 42 3.862 7.981 -5.002 1.00 0.00 C ATOM 611 NE1 TRP A 42 5.863 8.981 -5.125 1.00 0.00 N ATOM 612 CE2 TRP A 42 4.587 9.137 -4.652 1.00 0.00 C ATOM 613 CE3 TRP A 42 2.518 7.892 -4.631 1.00 0.00 C ATOM 614 CZ2 TRP A 42 4.012 10.192 -3.950 1.00 0.00 C ATOM 615 CZ3 TRP A 42 1.948 8.940 -3.934 1.00 0.00 C ATOM 616 CH2 TRP A 42 2.694 10.078 -3.599 1.00 0.00 C ATOM 0 H TRP A 42 6.806 5.142 -7.203 1.00 0.00 H new ATOM 0 HA TRP A 42 5.357 4.676 -4.675 1.00 0.00 H new ATOM 0 HB2 TRP A 42 4.514 5.816 -7.367 1.00 0.00 H new ATOM 0 HB3 TRP A 42 3.407 5.516 -6.043 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.852 7.381 -6.229 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.620 9.657 -5.022 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.935 7.019 -4.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.586 11.070 -3.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.910 8.881 -3.642 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.220 10.880 -3.053 1.00 0.00 H new ATOM 627 N TRP A 43 3.991 2.689 -5.414 1.00 0.00 N ATOM 628 CA TRP A 43 3.426 1.384 -5.741 1.00 0.00 C ATOM 629 C TRP A 43 1.915 1.378 -5.537 1.00 0.00 C ATOM 630 O TRP A 43 1.387 2.122 -4.710 1.00 0.00 O ATOM 631 CB TRP A 43 4.074 0.296 -4.883 1.00 0.00 C ATOM 632 CG TRP A 43 5.499 0.017 -5.253 1.00 0.00 C ATOM 633 CD1 TRP A 43 6.079 0.201 -6.476 1.00 0.00 C ATOM 634 CD2 TRP A 43 6.523 -0.496 -4.394 1.00 0.00 C ATOM 635 NE1 TRP A 43 7.402 -0.168 -6.428 1.00 0.00 N ATOM 636 CE2 TRP A 43 7.699 -0.598 -5.162 1.00 0.00 C ATOM 637 CE3 TRP A 43 6.561 -0.877 -3.050 1.00 0.00 C ATOM 638 CZ2 TRP A 43 8.897 -1.067 -4.629 1.00 0.00 C ATOM 639 CZ3 TRP A 43 7.750 -1.343 -2.523 1.00 0.00 C ATOM 640 CH2 TRP A 43 8.906 -1.433 -3.311 1.00 0.00 C ATOM 0 H TRP A 43 3.675 3.075 -4.524 1.00 0.00 H new ATOM 0 HA TRP A 43 3.632 1.179 -6.792 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.030 0.595 -3.836 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.495 -0.623 -4.977 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.573 0.580 -7.351 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.057 -0.128 -7.209 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.676 -0.808 -2.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.788 -1.139 -5.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.790 -1.643 -1.486 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.821 -1.798 -2.869 1.00 0.00 H new ATOM 651 N LYS A 44 1.224 0.534 -6.295 1.00 0.00 N ATOM 652 CA LYS A 44 -0.227 0.430 -6.197 1.00 0.00 C ATOM 653 C LYS A 44 -0.631 -0.788 -5.371 1.00 0.00 C ATOM 654 O LYS A 44 0.047 -1.814 -5.390 1.00 0.00 O ATOM 655 CB LYS A 44 -0.849 0.342 -7.592 1.00 0.00 C ATOM 656 CG LYS A 44 -2.360 0.187 -7.577 1.00 0.00 C ATOM 657 CD LYS A 44 -2.982 0.655 -8.882 1.00 0.00 C ATOM 658 CE LYS A 44 -4.465 0.948 -8.719 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.702 2.260 -8.056 1.00 0.00 N ATOM 0 H LYS A 44 1.646 -0.088 -6.984 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.597 1.325 -5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.590 1.240 -8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.411 -0.503 -8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.618 -0.858 -7.404 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.777 0.759 -6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.469 1.552 -9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.843 -0.109 -9.647 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.946 0.944 -9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.929 0.155 -8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.398 2.142 -7.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.809 2.615 -7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.065 2.941 -8.753 1.00 0.00 H new ATOM 673 N GLY A 45 -1.740 -0.667 -4.649 1.00 0.00 N ATOM 674 CA GLY A 45 -2.215 -1.766 -3.828 1.00 0.00 C ATOM 675 C GLY A 45 -3.710 -1.706 -3.588 1.00 0.00 C ATOM 676 O GLY A 45 -4.375 -0.754 -3.996 1.00 0.00 O ATOM 0 H GLY A 45 -2.319 0.172 -4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.965 -2.711 -4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.695 -1.751 -2.870 1.00 0.00 H new ATOM 680 N LYS A 46 -4.242 -2.727 -2.924 1.00 0.00 N ATOM 681 CA LYS A 46 -5.669 -2.788 -2.630 1.00 0.00 C ATOM 682 C LYS A 46 -5.911 -2.867 -1.126 1.00 0.00 C ATOM 683 O LYS A 46 -5.374 -3.743 -0.447 1.00 0.00 O ATOM 684 CB LYS A 46 -6.302 -3.997 -3.323 1.00 0.00 C ATOM 685 CG LYS A 46 -7.788 -4.148 -3.046 1.00 0.00 C ATOM 686 CD LYS A 46 -8.248 -5.584 -3.235 1.00 0.00 C ATOM 687 CE LYS A 46 -8.132 -6.381 -1.945 1.00 0.00 C ATOM 688 NZ LYS A 46 -8.637 -7.772 -2.105 1.00 0.00 N ATOM 0 H LYS A 46 -3.706 -3.524 -2.579 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.132 -1.876 -3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.148 -3.910 -4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.787 -4.901 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.003 -3.827 -2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.351 -3.494 -3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.283 -5.594 -3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.650 -6.059 -4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.090 -6.407 -1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.693 -5.879 -1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.541 -8.282 -1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.639 -7.748 -2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.085 -8.259 -2.839 1.00 0.00 H new ATOM 702 N ILE A 47 -6.723 -1.949 -0.613 1.00 0.00 N ATOM 703 CA ILE A 47 -7.038 -1.917 0.810 1.00 0.00 C ATOM 704 C ILE A 47 -8.412 -2.520 1.082 1.00 0.00 C ATOM 705 O ILE A 47 -9.224 -2.676 0.171 1.00 0.00 O ATOM 706 CB ILE A 47 -7.001 -0.480 1.363 1.00 0.00 C ATOM 707 CG1 ILE A 47 -5.595 0.106 1.225 1.00 0.00 C ATOM 708 CG2 ILE A 47 -7.449 -0.461 2.816 1.00 0.00 C ATOM 709 CD1 ILE A 47 -5.383 1.367 2.034 1.00 0.00 C ATOM 0 H ILE A 47 -7.175 -1.217 -1.162 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.277 -2.511 1.315 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.689 0.135 0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.866 -0.642 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.402 0.321 0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.418 0.561 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.467 -0.843 2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.784 -1.087 3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.364 1.726 1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.088 2.132 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.544 1.153 3.091 1.00 0.00 H new ATOM 721 N GLN A 48 -8.665 -2.855 2.343 1.00 0.00 N ATOM 722 CA GLN A 48 -9.942 -3.439 2.736 1.00 0.00 C ATOM 723 C GLN A 48 -11.072 -2.924 1.850 1.00 0.00 C ATOM 724 O GLN A 48 -11.562 -3.637 0.975 1.00 0.00 O ATOM 725 CB GLN A 48 -10.243 -3.122 4.202 1.00 0.00 C ATOM 726 CG GLN A 48 -9.350 -3.867 5.181 1.00 0.00 C ATOM 727 CD GLN A 48 -9.631 -5.357 5.210 1.00 0.00 C ATOM 728 OE1 GLN A 48 -10.672 -5.794 5.702 1.00 0.00 O ATOM 729 NE2 GLN A 48 -8.702 -6.145 4.683 1.00 0.00 N ATOM 0 H GLN A 48 -8.003 -2.732 3.109 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.871 -4.520 2.613 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.131 -2.050 4.364 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.284 -3.369 4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.306 -3.703 4.912 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.490 -3.455 6.180 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.854 -5.739 4.286 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.836 -7.156 4.675 1.00 0.00 H new ATOM 738 N ASP A 49 -11.481 -1.682 2.084 1.00 0.00 N ATOM 739 CA ASP A 49 -12.553 -1.070 1.307 1.00 0.00 C ATOM 740 C ASP A 49 -12.043 0.146 0.541 1.00 0.00 C ATOM 741 O ASP A 49 -12.828 0.938 0.020 1.00 0.00 O ATOM 742 CB ASP A 49 -13.708 -0.664 2.224 1.00 0.00 C ATOM 743 CG ASP A 49 -14.889 -0.107 1.454 1.00 0.00 C ATOM 744 OD1 ASP A 49 -15.751 -0.905 1.031 1.00 0.00 O ATOM 745 OD2 ASP A 49 -14.951 1.128 1.272 1.00 0.00 O ATOM 0 H ASP A 49 -11.086 -1.079 2.806 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.912 -1.805 0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.031 -1.530 2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.357 0.083 2.936 1.00 0.00 H new ATOM 750 N ARG A 50 -10.723 0.287 0.476 1.00 0.00 N ATOM 751 CA ARG A 50 -10.108 1.408 -0.225 1.00 0.00 C ATOM 752 C ARG A 50 -9.125 0.915 -1.283 1.00 0.00 C ATOM 753 O ARG A 50 -8.593 -0.191 -1.182 1.00 0.00 O ATOM 754 CB ARG A 50 -9.389 2.325 0.767 1.00 0.00 C ATOM 755 CG ARG A 50 -10.328 3.051 1.716 1.00 0.00 C ATOM 756 CD ARG A 50 -9.724 4.358 2.205 1.00 0.00 C ATOM 757 NE ARG A 50 -10.066 5.478 1.332 1.00 0.00 N ATOM 758 CZ ARG A 50 -11.304 5.928 1.163 1.00 0.00 C ATOM 759 NH1 ARG A 50 -12.313 5.357 1.805 1.00 0.00 N ATOM 760 NH2 ARG A 50 -11.535 6.952 0.351 1.00 0.00 N ATOM 0 H ARG A 50 -10.059 -0.361 0.900 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.898 1.970 -0.722 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.683 1.733 1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.807 3.061 0.212 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.273 3.252 1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -10.552 2.411 2.569 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.077 4.565 3.215 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.640 4.259 2.260 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.312 5.940 0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.140 4.570 2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.263 5.704 1.674 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.761 7.395 -0.144 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.486 7.296 0.222 1.00 0.00 H new ATOM 774 N ILE A 51 -8.891 1.741 -2.296 1.00 0.00 N ATOM 775 CA ILE A 51 -7.972 1.389 -3.372 1.00 0.00 C ATOM 776 C ILE A 51 -7.390 2.636 -4.028 1.00 0.00 C ATOM 777 O ILE A 51 -8.023 3.691 -4.052 1.00 0.00 O ATOM 778 CB ILE A 51 -8.667 0.534 -4.448 1.00 0.00 C ATOM 779 CG1 ILE A 51 -9.072 -0.823 -3.869 1.00 0.00 C ATOM 780 CG2 ILE A 51 -7.754 0.351 -5.651 1.00 0.00 C ATOM 781 CD1 ILE A 51 -10.415 -0.807 -3.173 1.00 0.00 C ATOM 0 H ILE A 51 -9.325 2.659 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.167 0.809 -2.922 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.568 1.052 -4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.097 -1.559 -4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.309 -1.149 -3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.260 -0.255 -6.403 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.511 1.325 -6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.837 -0.148 -5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.637 -1.802 -2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.389 -0.096 -2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -11.189 -0.512 -3.882 1.00 0.00 H new ATOM 793 N GLY A 52 -6.179 2.507 -4.562 1.00 0.00 N ATOM 794 CA GLY A 52 -5.531 3.631 -5.213 1.00 0.00 C ATOM 795 C GLY A 52 -4.019 3.540 -5.158 1.00 0.00 C ATOM 796 O GLY A 52 -3.465 2.492 -4.828 1.00 0.00 O ATOM 0 H GLY A 52 -5.635 1.644 -4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.851 3.678 -6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.854 4.557 -4.738 1.00 0.00 H new ATOM 800 N PHE A 53 -3.350 4.641 -5.484 1.00 0.00 N ATOM 801 CA PHE A 53 -1.892 4.681 -5.473 1.00 0.00 C ATOM 802 C PHE A 53 -1.371 5.152 -4.118 1.00 0.00 C ATOM 803 O PHE A 53 -2.123 5.689 -3.304 1.00 0.00 O ATOM 804 CB PHE A 53 -1.378 5.603 -6.579 1.00 0.00 C ATOM 805 CG PHE A 53 -1.929 5.277 -7.937 1.00 0.00 C ATOM 806 CD1 PHE A 53 -1.493 4.155 -8.625 1.00 0.00 C ATOM 807 CD2 PHE A 53 -2.884 6.090 -8.526 1.00 0.00 C ATOM 808 CE1 PHE A 53 -1.999 3.853 -9.875 1.00 0.00 C ATOM 809 CE2 PHE A 53 -3.394 5.792 -9.776 1.00 0.00 C ATOM 810 CZ PHE A 53 -2.951 4.671 -10.451 1.00 0.00 C ATOM 0 H PHE A 53 -3.794 5.517 -5.759 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.524 3.671 -5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.634 6.633 -6.330 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.290 5.544 -6.614 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.750 3.510 -8.179 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.234 6.967 -8.002 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.650 2.977 -10.402 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.138 6.435 -10.224 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.348 4.435 -11.427 1.00 0.00 H new ATOM 820 N PHE A 54 -0.079 4.947 -3.884 1.00 0.00 N ATOM 821 CA PHE A 54 0.543 5.349 -2.628 1.00 0.00 C ATOM 822 C PHE A 54 2.055 5.144 -2.680 1.00 0.00 C ATOM 823 O PHE A 54 2.566 4.285 -3.398 1.00 0.00 O ATOM 824 CB PHE A 54 -0.051 4.555 -1.463 1.00 0.00 C ATOM 825 CG PHE A 54 0.251 3.085 -1.523 1.00 0.00 C ATOM 826 CD1 PHE A 54 1.467 2.595 -1.074 1.00 0.00 C ATOM 827 CD2 PHE A 54 -0.681 2.193 -2.028 1.00 0.00 C ATOM 828 CE1 PHE A 54 1.747 1.243 -1.130 1.00 0.00 C ATOM 829 CE2 PHE A 54 -0.407 0.840 -2.086 1.00 0.00 C ATOM 830 CZ PHE A 54 0.809 0.364 -1.635 1.00 0.00 C ATOM 0 H PHE A 54 0.557 4.505 -4.547 1.00 0.00 H new ATOM 0 HA PHE A 54 0.343 6.409 -2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.333 4.959 -0.526 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.132 4.695 -1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.204 3.277 -0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.634 2.560 -2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.699 0.874 -0.779 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.142 0.156 -2.483 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.026 -0.693 -1.677 1.00 0.00 H new ATOM 840 N PRO A 55 2.788 5.952 -1.901 1.00 0.00 N ATOM 841 CA PRO A 55 4.251 5.880 -1.839 1.00 0.00 C ATOM 842 C PRO A 55 4.740 4.610 -1.151 1.00 0.00 C ATOM 843 O PRO A 55 4.156 4.164 -0.164 1.00 0.00 O ATOM 844 CB PRO A 55 4.633 7.114 -1.019 1.00 0.00 C ATOM 845 CG PRO A 55 3.432 7.404 -0.187 1.00 0.00 C ATOM 846 CD PRO A 55 2.246 6.999 -1.019 1.00 0.00 C ATOM 0 HA PRO A 55 4.700 5.856 -2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.508 6.921 -0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.880 7.957 -1.664 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.461 6.846 0.749 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.383 8.461 0.074 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.432 6.621 -0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.850 7.839 -1.589 1.00 0.00 H new ATOM 854 N ALA A 56 5.815 4.033 -1.677 1.00 0.00 N ATOM 855 CA ALA A 56 6.384 2.816 -1.111 1.00 0.00 C ATOM 856 C ALA A 56 7.137 3.112 0.181 1.00 0.00 C ATOM 857 O ALA A 56 7.280 2.243 1.040 1.00 0.00 O ATOM 858 CB ALA A 56 7.304 2.145 -2.120 1.00 0.00 C ATOM 0 H ALA A 56 6.310 4.389 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 56 5.565 2.136 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.722 1.238 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.737 1.890 -3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.113 2.826 -2.384 1.00 0.00 H new ATOM 864 N ASN A 57 7.617 4.344 0.312 1.00 0.00 N ATOM 865 CA ASN A 57 8.358 4.754 1.500 1.00 0.00 C ATOM 866 C ASN A 57 7.451 4.775 2.726 1.00 0.00 C ATOM 867 O ASN A 57 7.920 4.690 3.861 1.00 0.00 O ATOM 868 CB ASN A 57 8.979 6.136 1.287 1.00 0.00 C ATOM 869 CG ASN A 57 10.170 6.380 2.193 1.00 0.00 C ATOM 870 OD1 ASN A 57 10.041 6.983 3.259 1.00 0.00 O ATOM 871 ND2 ASN A 57 11.339 5.911 1.772 1.00 0.00 N ATOM 0 H ASN A 57 7.506 5.076 -0.390 1.00 0.00 H new ATOM 0 HA ASN A 57 9.153 4.028 1.671 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.291 6.235 0.247 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.225 6.902 1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.176 6.045 2.339 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.400 5.417 0.882 1.00 0.00 H new ATOM 878 N PHE A 58 6.148 4.888 2.489 1.00 0.00 N ATOM 879 CA PHE A 58 5.174 4.920 3.574 1.00 0.00 C ATOM 880 C PHE A 58 4.862 3.510 4.067 1.00 0.00 C ATOM 881 O PHE A 58 4.584 3.300 5.248 1.00 0.00 O ATOM 882 CB PHE A 58 3.887 5.607 3.112 1.00 0.00 C ATOM 883 CG PHE A 58 3.967 7.107 3.133 1.00 0.00 C ATOM 884 CD1 PHE A 58 5.022 7.766 2.523 1.00 0.00 C ATOM 885 CD2 PHE A 58 2.988 7.857 3.763 1.00 0.00 C ATOM 886 CE1 PHE A 58 5.099 9.145 2.542 1.00 0.00 C ATOM 887 CE2 PHE A 58 3.059 9.238 3.784 1.00 0.00 C ATOM 888 CZ PHE A 58 4.116 9.882 3.172 1.00 0.00 C ATOM 0 H PHE A 58 5.742 4.959 1.556 1.00 0.00 H new ATOM 0 HA PHE A 58 5.605 5.487 4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.652 5.278 2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.064 5.286 3.751 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.793 7.195 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.160 7.358 4.243 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.928 9.646 2.064 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.289 9.812 4.278 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.174 10.960 3.186 1.00 0.00 H new ATOM 898 N VAL A 59 4.910 2.546 3.153 1.00 0.00 N ATOM 899 CA VAL A 59 4.633 1.155 3.494 1.00 0.00 C ATOM 900 C VAL A 59 5.924 0.357 3.637 1.00 0.00 C ATOM 901 O VAL A 59 6.997 0.821 3.252 1.00 0.00 O ATOM 902 CB VAL A 59 3.743 0.484 2.431 1.00 0.00 C ATOM 903 CG1 VAL A 59 2.494 1.315 2.178 1.00 0.00 C ATOM 904 CG2 VAL A 59 4.522 0.270 1.142 1.00 0.00 C ATOM 0 H VAL A 59 5.138 2.702 2.171 1.00 0.00 H new ATOM 0 HA VAL A 59 4.106 1.161 4.448 1.00 0.00 H new ATOM 0 HB VAL A 59 3.431 -0.491 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.878 0.825 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.927 1.411 3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.781 2.305 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.878 -0.205 0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.865 1.232 0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.382 -0.370 1.339 1.00 0.00 H new ATOM 914 N GLN A 60 5.812 -0.844 4.194 1.00 0.00 N ATOM 915 CA GLN A 60 6.971 -1.707 4.388 1.00 0.00 C ATOM 916 C GLN A 60 6.723 -3.094 3.804 1.00 0.00 C ATOM 917 O GLN A 60 5.667 -3.689 4.021 1.00 0.00 O ATOM 918 CB GLN A 60 7.306 -1.820 5.876 1.00 0.00 C ATOM 919 CG GLN A 60 8.747 -2.220 6.148 1.00 0.00 C ATOM 920 CD GLN A 60 8.931 -3.723 6.224 1.00 0.00 C ATOM 921 OE1 GLN A 60 9.697 -4.306 5.456 1.00 0.00 O ATOM 922 NE2 GLN A 60 8.228 -4.360 7.153 1.00 0.00 N ATOM 0 H GLN A 60 4.931 -1.242 4.519 1.00 0.00 H new ATOM 0 HA GLN A 60 7.816 -1.259 3.865 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.106 -0.863 6.358 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.642 -2.553 6.335 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.386 -1.819 5.361 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.074 -1.770 7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.605 -3.837 7.769 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.311 -5.372 7.251 1.00 0.00 H new ATOM 931 N ARG A 61 7.700 -3.601 3.060 1.00 0.00 N ATOM 932 CA ARG A 61 7.586 -4.917 2.443 1.00 0.00 C ATOM 933 C ARG A 61 7.584 -6.016 3.502 1.00 0.00 C ATOM 934 O ARG A 61 8.453 -6.055 4.374 1.00 0.00 O ATOM 935 CB ARG A 61 8.736 -5.144 1.460 1.00 0.00 C ATOM 936 CG ARG A 61 8.839 -6.577 0.963 1.00 0.00 C ATOM 937 CD ARG A 61 9.542 -6.651 -0.383 1.00 0.00 C ATOM 938 NE ARG A 61 10.993 -6.722 -0.240 1.00 0.00 N ATOM 939 CZ ARG A 61 11.818 -7.007 -1.241 1.00 0.00 C ATOM 940 NH1 ARG A 61 11.336 -7.245 -2.454 1.00 0.00 N ATOM 941 NH2 ARG A 61 13.127 -7.053 -1.032 1.00 0.00 N ATOM 0 H ARG A 61 8.579 -3.121 2.870 1.00 0.00 H new ATOM 0 HA ARG A 61 6.641 -4.956 1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.608 -4.480 0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.674 -4.867 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.383 -7.178 1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.841 -7.006 0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.188 -7.526 -0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.279 -5.776 -0.978 1.00 0.00 H new ATOM 0 HE ARG A 61 11.396 -6.543 0.680 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.330 -7.209 -2.619 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.971 -7.464 -3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.502 -6.869 -0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.759 -7.272 -1.802 1.00 0.00 H new ATOM 955 N LEU A 62 6.602 -6.907 3.421 1.00 0.00 N ATOM 956 CA LEU A 62 6.485 -8.006 4.372 1.00 0.00 C ATOM 957 C LEU A 62 6.980 -9.312 3.758 1.00 0.00 C ATOM 958 O LEU A 62 6.212 -10.050 3.141 1.00 0.00 O ATOM 959 CB LEU A 62 5.033 -8.162 4.827 1.00 0.00 C ATOM 960 CG LEU A 62 4.549 -7.164 5.880 1.00 0.00 C ATOM 961 CD1 LEU A 62 5.461 -7.189 7.097 1.00 0.00 C ATOM 962 CD2 LEU A 62 4.477 -5.762 5.293 1.00 0.00 C ATOM 0 H LEU A 62 5.875 -6.890 2.706 1.00 0.00 H new ATOM 0 HA LEU A 62 7.107 -7.773 5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.388 -8.078 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.904 -9.169 5.223 1.00 0.00 H new ATOM 0 HG LEU A 62 3.547 -7.455 6.196 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.102 -6.473 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.461 -8.189 7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.475 -6.923 6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.131 -5.065 6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.466 -5.461 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.782 -5.754 4.453 1.00 0.00 H new ATOM 974 N SER A 63 8.268 -9.592 3.934 1.00 0.00 N ATOM 975 CA SER A 63 8.866 -10.808 3.396 1.00 0.00 C ATOM 976 C SER A 63 8.866 -11.921 4.439 1.00 0.00 C ATOM 977 O SER A 63 9.431 -11.772 5.522 1.00 0.00 O ATOM 978 CB SER A 63 10.296 -10.533 2.926 1.00 0.00 C ATOM 979 OG SER A 63 10.308 -10.000 1.613 1.00 0.00 O ATOM 0 H SER A 63 8.917 -8.993 4.445 1.00 0.00 H new ATOM 0 HA SER A 63 8.267 -11.132 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.779 -9.835 3.610 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.875 -11.456 2.952 1.00 0.00 H new ATOM 0 HG SER A 63 11.233 -9.831 1.337 1.00 0.00 H new ATOM 985 N GLY A 64 8.228 -13.038 4.104 1.00 0.00 N ATOM 986 CA GLY A 64 8.166 -14.161 5.022 1.00 0.00 C ATOM 987 C GLY A 64 9.511 -14.836 5.204 1.00 0.00 C ATOM 988 O GLY A 64 10.475 -14.549 4.494 1.00 0.00 O ATOM 0 H GLY A 64 7.753 -13.186 3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.802 -13.816 5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.444 -14.889 4.652 1.00 0.00 H new ATOM 992 N PRO A 65 9.588 -15.755 6.178 1.00 0.00 N ATOM 993 CA PRO A 65 10.821 -16.491 6.475 1.00 0.00 C ATOM 994 C PRO A 65 11.183 -17.483 5.375 1.00 0.00 C ATOM 995 O PRO A 65 10.432 -18.417 5.096 1.00 0.00 O ATOM 996 CB PRO A 65 10.488 -17.231 7.773 1.00 0.00 C ATOM 997 CG PRO A 65 9.005 -17.372 7.759 1.00 0.00 C ATOM 998 CD PRO A 65 8.479 -16.148 7.063 1.00 0.00 C ATOM 0 HA PRO A 65 11.682 -15.828 6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 65 10.978 -18.204 7.811 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.824 -16.671 8.645 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.704 -18.279 7.234 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.610 -17.444 8.772 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.572 -16.365 6.498 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.231 -15.358 7.772 1.00 0.00 H new ATOM 1006 N SER A 66 12.339 -17.273 4.753 1.00 0.00 N ATOM 1007 CA SER A 66 12.800 -18.147 3.680 1.00 0.00 C ATOM 1008 C SER A 66 14.260 -18.537 3.886 1.00 0.00 C ATOM 1009 O SER A 66 15.164 -17.722 3.699 1.00 0.00 O ATOM 1010 CB SER A 66 12.630 -17.459 2.325 1.00 0.00 C ATOM 1011 OG SER A 66 12.811 -18.377 1.260 1.00 0.00 O ATOM 0 H SER A 66 12.973 -16.505 4.974 1.00 0.00 H new ATOM 0 HA SER A 66 12.195 -19.053 3.698 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.637 -17.015 2.261 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.350 -16.645 2.234 1.00 0.00 H new ATOM 0 HG SER A 66 12.695 -17.913 0.405 1.00 0.00 H new ATOM 1017 N SER A 67 14.483 -19.789 4.274 1.00 0.00 N ATOM 1018 CA SER A 67 15.834 -20.287 4.510 1.00 0.00 C ATOM 1019 C SER A 67 16.674 -19.249 5.247 1.00 0.00 C ATOM 1020 O SER A 67 17.847 -19.047 4.934 1.00 0.00 O ATOM 1021 CB SER A 67 16.503 -20.653 3.184 1.00 0.00 C ATOM 1022 OG SER A 67 16.621 -19.520 2.341 1.00 0.00 O ATOM 0 H SER A 67 13.746 -20.477 4.432 1.00 0.00 H new ATOM 0 HA SER A 67 15.763 -21.179 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 67 17.491 -21.072 3.375 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.921 -21.425 2.681 1.00 0.00 H new ATOM 0 HG SER A 67 16.396 -18.711 2.847 1.00 0.00 H new ATOM 1028 N GLY A 68 16.065 -18.593 6.231 1.00 0.00 N ATOM 1029 CA GLY A 68 16.771 -17.584 6.998 1.00 0.00 C ATOM 1030 C GLY A 68 16.794 -17.896 8.482 1.00 0.00 C ATOM 1031 O GLY A 68 16.978 -17.001 9.308 1.00 0.00 O ATOM 0 H GLY A 68 15.095 -18.743 6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 68 17.794 -17.502 6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 68 16.298 -16.615 6.841 1.00 0.00 H new TER 1035 GLY A 68