USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 757 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 8 SER OG : rot 36:sc= 1.19 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0791 USER MOD Single : A 11 GLN : amide:sc= -0.0201 K(o=-0.02,f=-0.57) USER MOD Single : A 13 SER OG : rot 160:sc= -0.31 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.18 K(o=-0.18,f=-3.5!) USER MOD Single : A 19 TYR OH : rot -120:sc= -3.77! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -128:sc= 0.023 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.017) USER MOD Single : A 30 ASN : amide:sc= -0.0169 X(o=-0.017,f=0.016) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -82:sc= 0.338! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 26:sc= 1.18 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -80:sc= -0.472 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.16! K(o=-3.2!,f=-1.1) USER MOD Single : A 82 CYS SG : rot -119:sc= -1.1 USER MOD Single : A 84 GLN : amide:sc= -0.259 K(o=-0.26,f=-3.2!) USER MOD Single : A 85 ASN : amide:sc= -1.37 K(o=-1.4,f=-4.3!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 140:sc=-0.000658 USER MOD Single : A 95 SER OG : rot -71:sc= 0.878 USER MOD Single : A 104 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 7 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 7 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LEU A 7 1.118 -0.270 -2.410 1.00 0.00 C ATOM 4 O LEU A 7 -0.099 -0.277 -2.230 1.00 0.00 O ATOM 5 CB LEU A 7 3.242 -0.985 -1.168 1.00 0.00 C ATOM 6 CG LEU A 7 4.558 -0.422 -0.629 1.00 0.00 C ATOM 7 CD1 LEU A 7 5.502 -1.548 -0.202 1.00 0.00 C ATOM 8 CD2 LEU A 7 5.211 0.518 -1.645 1.00 0.00 C ATOM 0 HA LEU A 7 2.521 0.978 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.944 -1.824 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.422 -1.384 -2.166 1.00 0.00 H new ATOM 0 HG LEU A 7 4.337 0.169 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.430 -1.120 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.030 -2.142 0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.720 -2.185 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.145 0.904 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.416 -0.028 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.538 1.348 -1.858 1.00 0.00 H new ATOM 20 N SER A 8 1.705 -0.485 -3.578 1.00 0.00 N ATOM 21 CA SER A 8 0.921 -0.754 -4.771 1.00 0.00 C ATOM 22 C SER A 8 1.849 -1.016 -5.959 1.00 0.00 C ATOM 23 O SER A 8 3.070 -0.970 -5.819 1.00 0.00 O ATOM 24 CB SER A 8 -0.025 0.407 -5.082 1.00 0.00 C ATOM 25 OG SER A 8 -1.312 0.217 -4.500 1.00 0.00 O ATOM 0 H SER A 8 2.715 -0.478 -3.724 1.00 0.00 H new ATOM 0 HA SER A 8 0.315 -1.642 -4.589 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.407 1.336 -4.711 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.127 0.512 -6.162 1.00 0.00 H new ATOM 0 HG SER A 8 -1.215 -0.219 -3.628 1.00 0.00 H new ATOM 31 N LEU A 9 1.234 -1.283 -7.102 1.00 0.00 N ATOM 32 CA LEU A 9 1.990 -1.552 -8.313 1.00 0.00 C ATOM 33 C LEU A 9 2.503 -0.232 -8.892 1.00 0.00 C ATOM 34 O LEU A 9 3.632 -0.158 -9.373 1.00 0.00 O ATOM 35 CB LEU A 9 1.152 -2.371 -9.297 1.00 0.00 C ATOM 36 CG LEU A 9 0.372 -3.543 -8.699 1.00 0.00 C ATOM 37 CD1 LEU A 9 -0.324 -4.353 -9.795 1.00 0.00 C ATOM 38 CD2 LEU A 9 1.277 -4.417 -7.828 1.00 0.00 C ATOM 0 H LEU A 9 0.221 -1.319 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 9 2.864 -2.164 -8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.445 -1.701 -9.786 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.813 -2.758 -10.072 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.407 -3.140 -8.051 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.872 -5.180 -9.344 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.018 -3.711 -10.337 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.422 -4.746 -10.486 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.697 -5.243 -7.415 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.092 -4.813 -8.433 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.687 -3.819 -7.014 1.00 0.00 H new ATOM 50 N THR A 10 1.647 0.778 -8.827 1.00 0.00 N ATOM 51 CA THR A 10 1.999 2.091 -9.339 1.00 0.00 C ATOM 52 C THR A 10 3.345 2.543 -8.769 1.00 0.00 C ATOM 53 O THR A 10 4.312 2.712 -9.510 1.00 0.00 O ATOM 54 CB THR A 10 0.851 3.049 -9.016 1.00 0.00 C ATOM 55 OG1 THR A 10 0.813 3.077 -7.591 1.00 0.00 O ATOM 56 CG2 THR A 10 -0.514 2.482 -9.414 1.00 0.00 C ATOM 0 H THR A 10 0.711 0.713 -8.427 1.00 0.00 H new ATOM 0 HA THR A 10 2.130 2.070 -10.421 1.00 0.00 H new ATOM 0 HB THR A 10 1.014 3.997 -9.529 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.097 3.677 -7.295 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.294 3.201 -9.163 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.529 2.289 -10.487 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.692 1.551 -8.876 1.00 0.00 H new ATOM 64 N GLN A 11 3.365 2.726 -7.457 1.00 0.00 N ATOM 65 CA GLN A 11 4.576 3.154 -6.779 1.00 0.00 C ATOM 66 C GLN A 11 5.715 2.171 -7.055 1.00 0.00 C ATOM 67 O GLN A 11 6.883 2.557 -7.075 1.00 0.00 O ATOM 68 CB GLN A 11 4.337 3.309 -5.276 1.00 0.00 C ATOM 69 CG GLN A 11 4.427 4.777 -4.854 1.00 0.00 C ATOM 70 CD GLN A 11 3.806 4.990 -3.472 1.00 0.00 C ATOM 71 OE1 GLN A 11 2.762 4.452 -3.143 1.00 0.00 O ATOM 72 NE2 GLN A 11 4.506 5.802 -2.684 1.00 0.00 N ATOM 0 H GLN A 11 2.561 2.585 -6.845 1.00 0.00 H new ATOM 0 HA GLN A 11 4.863 4.130 -7.170 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.355 2.912 -5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.073 2.723 -4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.471 5.092 -4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.916 5.402 -5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.373 6.219 -3.023 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.176 6.007 -1.741 1.00 0.00 H new ATOM 81 N LEU A 12 5.336 0.918 -7.260 1.00 0.00 N ATOM 82 CA LEU A 12 6.311 -0.124 -7.534 1.00 0.00 C ATOM 83 C LEU A 12 7.116 0.252 -8.780 1.00 0.00 C ATOM 84 O LEU A 12 8.183 -0.309 -9.026 1.00 0.00 O ATOM 85 CB LEU A 12 5.624 -1.488 -7.634 1.00 0.00 C ATOM 86 CG LEU A 12 6.205 -2.597 -6.756 1.00 0.00 C ATOM 87 CD1 LEU A 12 7.692 -2.808 -7.050 1.00 0.00 C ATOM 88 CD2 LEU A 12 5.949 -2.314 -5.274 1.00 0.00 C ATOM 0 H LEU A 12 4.367 0.601 -7.242 1.00 0.00 H new ATOM 0 HA LEU A 12 7.019 -0.209 -6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.572 -1.362 -7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.662 -1.817 -8.673 1.00 0.00 H new ATOM 0 HG LEU A 12 5.693 -3.528 -7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.080 -3.602 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.820 -3.088 -8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.237 -1.885 -6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.372 -3.118 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.417 -1.369 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.875 -2.253 -5.095 1.00 0.00 H new ATOM 100 N SER A 13 6.575 1.199 -9.532 1.00 0.00 N ATOM 101 CA SER A 13 7.230 1.656 -10.745 1.00 0.00 C ATOM 102 C SER A 13 6.896 3.128 -10.997 1.00 0.00 C ATOM 103 O SER A 13 7.009 3.610 -12.124 1.00 0.00 O ATOM 104 CB SER A 13 6.818 0.805 -11.948 1.00 0.00 C ATOM 105 OG SER A 13 7.946 0.319 -12.670 1.00 0.00 O ATOM 0 H SER A 13 5.690 1.662 -9.324 1.00 0.00 H new ATOM 0 HA SER A 13 8.307 1.552 -10.612 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.216 -0.037 -11.607 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.190 1.398 -12.613 1.00 0.00 H new ATOM 0 HG SER A 13 7.680 -0.453 -13.211 1.00 0.00 H new ATOM 111 N SER A 14 6.492 3.801 -9.930 1.00 0.00 N ATOM 112 CA SER A 14 6.141 5.208 -10.022 1.00 0.00 C ATOM 113 C SER A 14 5.005 5.400 -11.028 1.00 0.00 C ATOM 114 O SER A 14 4.751 6.516 -11.478 1.00 0.00 O ATOM 115 CB SER A 14 7.352 6.053 -10.421 1.00 0.00 C ATOM 116 OG SER A 14 7.817 6.862 -9.344 1.00 0.00 O ATOM 0 H SER A 14 6.400 3.398 -8.997 1.00 0.00 H new ATOM 0 HA SER A 14 5.807 5.542 -9.039 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.156 5.398 -10.756 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.087 6.690 -11.265 1.00 0.00 H new ATOM 0 HG SER A 14 8.592 7.385 -9.638 1.00 0.00 H new ATOM 122 N GLY A 15 4.351 4.294 -11.352 1.00 0.00 N ATOM 123 CA GLY A 15 3.248 4.326 -12.297 1.00 0.00 C ATOM 124 C GLY A 15 3.674 3.770 -13.657 1.00 0.00 C ATOM 125 O GLY A 15 3.480 4.417 -14.685 1.00 0.00 O ATOM 0 H GLY A 15 4.564 3.370 -10.977 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.414 3.743 -11.907 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.894 5.350 -12.414 1.00 0.00 H new ATOM 129 N ASN A 16 4.248 2.576 -13.619 1.00 0.00 N ATOM 130 CA ASN A 16 4.703 1.925 -14.835 1.00 0.00 C ATOM 131 C ASN A 16 4.257 0.462 -14.824 1.00 0.00 C ATOM 132 O ASN A 16 4.774 -0.343 -14.050 1.00 0.00 O ATOM 133 CB ASN A 16 6.230 1.953 -14.936 1.00 0.00 C ATOM 134 CG ASN A 16 6.681 2.097 -16.391 1.00 0.00 C ATOM 135 OD1 ASN A 16 5.882 2.197 -17.308 1.00 0.00 O ATOM 136 ND2 ASN A 16 8.001 2.101 -16.550 1.00 0.00 N ATOM 0 H ASN A 16 4.408 2.043 -12.764 1.00 0.00 H new ATOM 0 HA ASN A 16 4.275 2.459 -15.683 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.622 2.782 -14.346 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.643 1.037 -14.513 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.402 2.192 -17.483 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.613 2.013 -15.738 1.00 0.00 H new ATOM 143 N PRO A 17 3.276 0.153 -15.714 1.00 0.00 N ATOM 144 CA PRO A 17 2.754 -1.199 -15.813 1.00 0.00 C ATOM 145 C PRO A 17 3.744 -2.117 -16.533 1.00 0.00 C ATOM 146 O PRO A 17 3.457 -3.293 -16.754 1.00 0.00 O ATOM 147 CB PRO A 17 1.432 -1.057 -16.549 1.00 0.00 C ATOM 148 CG PRO A 17 1.483 0.295 -17.241 1.00 0.00 C ATOM 149 CD PRO A 17 2.640 1.080 -16.645 1.00 0.00 C ATOM 0 HA PRO A 17 2.604 -1.665 -14.839 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.300 -1.861 -17.273 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.592 -1.110 -15.857 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.620 0.169 -18.315 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.545 0.832 -17.100 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.337 1.406 -17.417 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.289 1.976 -16.134 1.00 0.00 H new ATOM 157 N VAL A 18 4.888 -1.546 -16.879 1.00 0.00 N ATOM 158 CA VAL A 18 5.922 -2.298 -17.569 1.00 0.00 C ATOM 159 C VAL A 18 6.060 -3.678 -16.923 1.00 0.00 C ATOM 160 O VAL A 18 6.295 -4.669 -17.612 1.00 0.00 O ATOM 161 CB VAL A 18 7.231 -1.506 -17.574 1.00 0.00 C ATOM 162 CG1 VAL A 18 7.733 -1.269 -16.148 1.00 0.00 C ATOM 163 CG2 VAL A 18 8.294 -2.209 -18.420 1.00 0.00 C ATOM 0 H VAL A 18 5.122 -0.571 -16.694 1.00 0.00 H new ATOM 0 HA VAL A 18 5.649 -2.454 -18.613 1.00 0.00 H new ATOM 0 HB VAL A 18 7.033 -0.534 -18.026 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.665 -0.704 -16.179 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.986 -0.706 -15.588 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.906 -2.228 -15.659 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.214 -1.625 -18.407 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.487 -3.201 -18.011 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.939 -2.303 -19.446 1.00 0.00 H new ATOM 173 N TYR A 19 5.908 -3.697 -15.607 1.00 0.00 N ATOM 174 CA TYR A 19 6.013 -4.939 -14.860 1.00 0.00 C ATOM 175 C TYR A 19 4.879 -5.898 -15.228 1.00 0.00 C ATOM 176 O TYR A 19 5.103 -7.097 -15.391 1.00 0.00 O ATOM 177 CB TYR A 19 5.882 -4.556 -13.384 1.00 0.00 C ATOM 178 CG TYR A 19 7.212 -4.525 -12.629 1.00 0.00 C ATOM 179 CD1 TYR A 19 8.371 -4.167 -13.287 1.00 0.00 C ATOM 180 CD2 TYR A 19 7.253 -4.855 -11.289 1.00 0.00 C ATOM 181 CE1 TYR A 19 9.623 -4.137 -12.576 1.00 0.00 C ATOM 182 CE2 TYR A 19 8.505 -4.826 -10.578 1.00 0.00 C ATOM 183 CZ TYR A 19 9.628 -4.468 -11.257 1.00 0.00 C ATOM 184 OH TYR A 19 10.810 -4.441 -10.585 1.00 0.00 O ATOM 0 H TYR A 19 5.713 -2.873 -15.039 1.00 0.00 H new ATOM 0 HA TYR A 19 6.956 -5.440 -15.080 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.413 -3.574 -13.314 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.214 -5.264 -12.893 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.339 -3.909 -14.335 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.346 -5.135 -10.774 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.537 -3.858 -13.079 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.551 -5.083 -9.530 1.00 0.00 H new ATOM 0 HH TYR A 19 11.005 -5.333 -10.229 1.00 0.00 H new ATOM 194 N GLU A 20 3.686 -5.335 -15.348 1.00 0.00 N ATOM 195 CA GLU A 20 2.516 -6.125 -15.694 1.00 0.00 C ATOM 196 C GLU A 20 2.839 -7.073 -16.850 1.00 0.00 C ATOM 197 O GLU A 20 2.393 -8.219 -16.861 1.00 0.00 O ATOM 198 CB GLU A 20 1.328 -5.224 -16.039 1.00 0.00 C ATOM 199 CG GLU A 20 0.133 -5.521 -15.132 1.00 0.00 C ATOM 200 CD GLU A 20 -0.911 -6.370 -15.861 1.00 0.00 C ATOM 201 OE1 GLU A 20 -0.948 -6.377 -17.100 1.00 0.00 O ATOM 202 OE2 GLU A 20 -1.701 -7.041 -15.093 1.00 0.00 O ATOM 0 H GLU A 20 3.504 -4.341 -15.212 1.00 0.00 H new ATOM 0 HA GLU A 20 2.236 -6.723 -14.827 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.618 -4.178 -15.934 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.044 -5.373 -17.081 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.472 -6.044 -14.238 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.319 -4.586 -14.802 1.00 0.00 H new ATOM 210 N LYS A 21 3.613 -6.560 -17.796 1.00 0.00 N ATOM 211 CA LYS A 21 4.001 -7.347 -18.954 1.00 0.00 C ATOM 212 C LYS A 21 4.588 -8.680 -18.486 1.00 0.00 C ATOM 213 O LYS A 21 4.024 -9.739 -18.756 1.00 0.00 O ATOM 214 CB LYS A 21 4.940 -6.545 -19.856 1.00 0.00 C ATOM 215 CG LYS A 21 4.357 -6.398 -21.263 1.00 0.00 C ATOM 216 CD LYS A 21 5.259 -5.531 -22.143 1.00 0.00 C ATOM 217 CE LYS A 21 4.431 -4.684 -23.112 1.00 0.00 C ATOM 218 NZ LYS A 21 5.286 -4.153 -24.197 1.00 0.00 N ATOM 0 H LYS A 21 3.982 -5.609 -17.784 1.00 0.00 H new ATOM 0 HA LYS A 21 3.129 -7.579 -19.566 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.110 -5.559 -19.424 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.909 -7.041 -19.910 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.239 -7.382 -21.716 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.364 -5.953 -21.204 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.868 -4.881 -21.516 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.944 -6.166 -22.704 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.628 -5.287 -23.536 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.962 -3.860 -22.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.709 -3.581 -24.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.037 -3.561 -23.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.714 -4.943 -24.720 1.00 0.00 H new ATOM 229 N TYR A 22 5.712 -8.584 -17.792 1.00 0.00 N ATOM 230 CA TYR A 22 6.382 -9.770 -17.284 1.00 0.00 C ATOM 231 C TYR A 22 5.444 -10.590 -16.395 1.00 0.00 C ATOM 232 O TYR A 22 5.388 -11.813 -16.509 1.00 0.00 O ATOM 233 CB TYR A 22 7.553 -9.263 -16.439 1.00 0.00 C ATOM 234 CG TYR A 22 8.404 -8.197 -17.131 1.00 0.00 C ATOM 235 CD1 TYR A 22 8.520 -8.192 -18.506 1.00 0.00 C ATOM 236 CD2 TYR A 22 9.056 -7.240 -16.380 1.00 0.00 C ATOM 237 CE1 TYR A 22 9.321 -7.188 -19.158 1.00 0.00 C ATOM 238 CE2 TYR A 22 9.858 -6.237 -17.032 1.00 0.00 C ATOM 239 CZ TYR A 22 9.950 -6.260 -18.388 1.00 0.00 C ATOM 240 OH TYR A 22 10.707 -5.312 -19.003 1.00 0.00 O ATOM 0 H TYR A 22 6.176 -7.704 -17.569 1.00 0.00 H new ATOM 0 HA TYR A 22 6.705 -10.410 -18.105 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.164 -8.854 -15.506 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.190 -10.107 -16.176 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.010 -8.941 -19.093 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.965 -7.243 -15.304 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.420 -7.172 -20.233 1.00 0.00 H new ATOM 0 HE2 TYR A 22 10.375 -5.483 -16.456 1.00 0.00 H new ATOM 0 HH TYR A 22 11.599 -5.292 -18.597 1.00 0.00 H new ATOM 250 N TYR A 23 4.732 -9.883 -15.530 1.00 0.00 N ATOM 251 CA TYR A 23 3.800 -10.530 -14.622 1.00 0.00 C ATOM 252 C TYR A 23 2.808 -11.407 -15.389 1.00 0.00 C ATOM 253 O TYR A 23 2.363 -12.436 -14.882 1.00 0.00 O ATOM 254 CB TYR A 23 3.036 -9.402 -13.927 1.00 0.00 C ATOM 255 CG TYR A 23 1.654 -9.811 -13.414 1.00 0.00 C ATOM 256 CD1 TYR A 23 0.591 -9.899 -14.290 1.00 0.00 C ATOM 257 CD2 TYR A 23 1.470 -10.092 -12.075 1.00 0.00 C ATOM 258 CE1 TYR A 23 -0.710 -10.284 -13.807 1.00 0.00 C ATOM 259 CE2 TYR A 23 0.169 -10.477 -11.592 1.00 0.00 C ATOM 260 CZ TYR A 23 -0.857 -10.554 -12.482 1.00 0.00 C ATOM 261 OH TYR A 23 -2.085 -10.918 -12.025 1.00 0.00 O ATOM 0 H TYR A 23 4.782 -8.868 -15.439 1.00 0.00 H new ATOM 0 HA TYR A 23 4.331 -11.170 -13.917 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.630 -9.037 -13.089 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.923 -8.571 -14.623 1.00 0.00 H new ATOM 0 HD1 TYR A 23 0.735 -9.679 -15.338 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.302 -10.023 -11.390 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.550 -10.357 -14.482 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.011 -10.700 -10.547 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.040 -11.081 -11.060 1.00 0.00 H new ATOM 271 N ARG A 24 2.490 -10.967 -16.597 1.00 0.00 N ATOM 272 CA ARG A 24 1.558 -11.699 -17.439 1.00 0.00 C ATOM 273 C ARG A 24 2.289 -12.802 -18.206 1.00 0.00 C ATOM 274 O ARG A 24 1.684 -13.801 -18.591 1.00 0.00 O ATOM 275 CB ARG A 24 0.867 -10.766 -18.436 1.00 0.00 C ATOM 276 CG ARG A 24 -0.297 -11.473 -19.132 1.00 0.00 C ATOM 277 CD ARG A 24 -1.572 -10.631 -19.061 1.00 0.00 C ATOM 278 NE ARG A 24 -1.769 -9.902 -20.334 1.00 0.00 N ATOM 279 CZ ARG A 24 -2.835 -9.117 -20.599 1.00 0.00 C ATOM 280 NH1 ARG A 24 -3.811 -8.953 -19.680 1.00 0.00 N ATOM 281 NH2 ARG A 24 -2.909 -8.513 -21.770 1.00 0.00 N ATOM 0 H ARG A 24 2.861 -10.113 -17.013 1.00 0.00 H new ATOM 0 HA ARG A 24 0.803 -12.142 -16.790 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.501 -9.880 -17.917 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.587 -10.425 -19.180 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.040 -11.664 -20.174 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.471 -12.442 -18.664 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.431 -11.273 -18.863 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.505 -9.924 -18.234 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.055 -9.999 -21.056 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.746 -9.424 -18.778 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.613 -8.358 -19.888 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.168 -8.643 -22.459 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.707 -7.916 -21.987 1.00 0.00 H new ATOM 294 N GLN A 25 3.581 -12.584 -18.405 1.00 0.00 N ATOM 295 CA GLN A 25 4.401 -13.548 -19.119 1.00 0.00 C ATOM 296 C GLN A 25 4.428 -14.881 -18.369 1.00 0.00 C ATOM 297 O GLN A 25 4.428 -15.945 -18.986 1.00 0.00 O ATOM 298 CB GLN A 25 5.817 -13.010 -19.333 1.00 0.00 C ATOM 299 CG GLN A 25 5.938 -12.305 -20.686 1.00 0.00 C ATOM 300 CD GLN A 25 7.183 -12.775 -21.440 1.00 0.00 C ATOM 301 OE1 GLN A 25 7.156 -13.044 -22.630 1.00 0.00 O ATOM 302 NE2 GLN A 25 8.274 -12.858 -20.684 1.00 0.00 N ATOM 0 H GLN A 25 4.080 -11.754 -18.084 1.00 0.00 H new ATOM 0 HA GLN A 25 3.959 -13.716 -20.101 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.070 -12.315 -18.533 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.533 -13.830 -19.281 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.049 -12.504 -21.285 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.985 -11.227 -20.535 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.228 -12.618 -19.694 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.157 -13.162 -21.094 1.00 0.00 H new ATOM 311 N VAL A 26 4.451 -14.780 -17.048 1.00 0.00 N ATOM 312 CA VAL A 26 4.478 -15.965 -16.207 1.00 0.00 C ATOM 313 C VAL A 26 3.068 -16.552 -16.115 1.00 0.00 C ATOM 314 O VAL A 26 2.899 -17.770 -16.104 1.00 0.00 O ATOM 315 CB VAL A 26 5.073 -15.622 -14.840 1.00 0.00 C ATOM 316 CG1 VAL A 26 6.085 -14.480 -14.953 1.00 0.00 C ATOM 317 CG2 VAL A 26 3.973 -15.283 -13.832 1.00 0.00 C ATOM 0 H VAL A 26 4.451 -13.896 -16.539 1.00 0.00 H new ATOM 0 HA VAL A 26 5.120 -16.729 -16.644 1.00 0.00 H new ATOM 0 HB VAL A 26 5.602 -16.502 -14.475 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.493 -14.256 -13.967 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.894 -14.775 -15.622 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.591 -13.594 -15.351 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.423 -15.043 -12.869 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.403 -14.425 -14.190 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.307 -16.139 -13.718 1.00 0.00 H new ATOM 327 N GLU A 27 2.092 -15.658 -16.052 1.00 0.00 N ATOM 328 CA GLU A 27 0.703 -16.073 -15.961 1.00 0.00 C ATOM 329 C GLU A 27 0.442 -17.261 -16.889 1.00 0.00 C ATOM 330 O GLU A 27 0.929 -17.291 -18.018 1.00 0.00 O ATOM 331 CB GLU A 27 -0.238 -14.910 -16.282 1.00 0.00 C ATOM 332 CG GLU A 27 -1.695 -15.378 -16.320 1.00 0.00 C ATOM 333 CD GLU A 27 -2.307 -15.151 -17.704 1.00 0.00 C ATOM 334 OE1 GLU A 27 -1.600 -15.247 -18.718 1.00 0.00 O ATOM 335 OE2 GLU A 27 -3.565 -14.868 -17.704 1.00 0.00 O ATOM 0 H GLU A 27 2.236 -14.648 -16.062 1.00 0.00 H new ATOM 0 HA GLU A 27 0.504 -16.387 -14.936 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.123 -14.127 -15.532 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.033 -14.473 -17.243 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.748 -16.436 -16.064 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.274 -14.839 -15.570 1.00 0.00 H new ATOM 343 N ALA A 28 -0.327 -18.212 -16.378 1.00 0.00 N ATOM 344 CA ALA A 28 -0.658 -19.400 -17.147 1.00 0.00 C ATOM 345 C ALA A 28 -2.153 -19.389 -17.474 1.00 0.00 C ATOM 346 O ALA A 28 -2.983 -19.160 -16.596 1.00 0.00 O ATOM 347 CB ALA A 28 -0.241 -20.647 -16.365 1.00 0.00 C ATOM 0 H ALA A 28 -0.730 -18.184 -15.441 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.114 -19.411 -18.091 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.489 -21.538 -16.942 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.833 -20.620 -16.183 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.770 -20.673 -15.412 1.00 0.00 H new ATOM 353 N GLY A 29 -2.451 -19.641 -18.741 1.00 0.00 N ATOM 354 CA GLY A 29 -3.831 -19.663 -19.195 1.00 0.00 C ATOM 355 C GLY A 29 -4.301 -18.262 -19.589 1.00 0.00 C ATOM 356 O GLY A 29 -3.500 -17.330 -19.655 1.00 0.00 O ATOM 0 H GLY A 29 -1.760 -19.832 -19.467 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.926 -20.336 -20.047 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.471 -20.056 -18.405 1.00 0.00 H new ATOM 360 N ASN A 30 -5.597 -18.156 -19.841 1.00 0.00 N ATOM 361 CA ASN A 30 -6.184 -16.884 -20.227 1.00 0.00 C ATOM 362 C ASN A 30 -7.281 -16.509 -19.229 1.00 0.00 C ATOM 363 O ASN A 30 -8.404 -16.199 -19.623 1.00 0.00 O ATOM 364 CB ASN A 30 -6.818 -16.969 -21.617 1.00 0.00 C ATOM 365 CG ASN A 30 -6.638 -15.658 -22.384 1.00 0.00 C ATOM 366 OD1 ASN A 30 -7.088 -14.601 -21.973 1.00 0.00 O ATOM 367 ND2 ASN A 30 -5.955 -15.784 -23.518 1.00 0.00 N ATOM 0 H ASN A 30 -6.258 -18.931 -19.785 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.391 -16.136 -20.237 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.365 -17.787 -22.177 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.880 -17.196 -21.523 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.780 -14.966 -24.102 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.606 -16.699 -23.804 1.00 0.00 H new ATOM 374 N THR A 31 -6.917 -16.550 -17.956 1.00 0.00 N ATOM 375 CA THR A 31 -7.856 -16.219 -16.898 1.00 0.00 C ATOM 376 C THR A 31 -7.426 -14.934 -16.186 1.00 0.00 C ATOM 377 O THR A 31 -8.208 -14.338 -15.447 1.00 0.00 O ATOM 378 CB THR A 31 -7.960 -17.425 -15.963 1.00 0.00 C ATOM 379 OG1 THR A 31 -6.696 -17.467 -15.307 1.00 0.00 O ATOM 380 CG2 THR A 31 -8.029 -18.751 -16.723 1.00 0.00 C ATOM 0 H THR A 31 -5.984 -16.808 -17.633 1.00 0.00 H new ATOM 0 HA THR A 31 -8.848 -16.015 -17.300 1.00 0.00 H new ATOM 0 HB THR A 31 -8.844 -17.320 -15.334 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.678 -18.220 -14.680 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.102 -19.574 -16.012 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.905 -18.753 -17.372 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.130 -18.871 -17.327 1.00 0.00 H new ATOM 388 N GLY A 32 -6.184 -14.545 -16.435 1.00 0.00 N ATOM 389 CA GLY A 32 -5.641 -13.342 -15.827 1.00 0.00 C ATOM 390 C GLY A 32 -5.079 -13.637 -14.435 1.00 0.00 C ATOM 391 O GLY A 32 -4.839 -12.720 -13.652 1.00 0.00 O ATOM 0 H GLY A 32 -5.538 -15.041 -17.049 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.855 -12.933 -16.461 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.420 -12.583 -15.755 1.00 0.00 H new ATOM 395 N ARG A 33 -4.884 -14.920 -14.170 1.00 0.00 N ATOM 396 CA ARG A 33 -4.354 -15.347 -12.887 1.00 0.00 C ATOM 397 C ARG A 33 -2.964 -15.961 -13.064 1.00 0.00 C ATOM 398 O ARG A 33 -2.689 -16.603 -14.077 1.00 0.00 O ATOM 399 CB ARG A 33 -5.276 -16.373 -12.224 1.00 0.00 C ATOM 400 CG ARG A 33 -6.649 -15.766 -11.929 1.00 0.00 C ATOM 401 CD ARG A 33 -7.085 -16.067 -10.494 1.00 0.00 C ATOM 402 NE ARG A 33 -8.476 -16.571 -10.482 1.00 0.00 N ATOM 403 CZ ARG A 33 -8.852 -17.768 -10.980 1.00 0.00 C ATOM 404 NH1 ARG A 33 -7.941 -18.596 -11.534 1.00 0.00 N ATOM 405 NH2 ARG A 33 -10.123 -18.117 -10.917 1.00 0.00 N ATOM 0 H ARG A 33 -5.084 -15.678 -14.822 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.288 -14.467 -12.247 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.390 -17.239 -12.875 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.825 -16.728 -11.298 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.615 -14.688 -12.084 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.385 -16.165 -12.628 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.418 -16.806 -10.050 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.011 -15.165 -9.886 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.196 -15.977 -10.072 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.960 -18.319 -11.579 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.233 -19.499 -11.908 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.805 -17.486 -10.497 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.423 -19.018 -11.289 1.00 0.00 H new ATOM 418 N VAL A 34 -2.123 -15.742 -12.063 1.00 0.00 N ATOM 419 CA VAL A 34 -0.768 -16.266 -12.096 1.00 0.00 C ATOM 420 C VAL A 34 -0.699 -17.544 -11.257 1.00 0.00 C ATOM 421 O VAL A 34 -0.905 -17.507 -10.045 1.00 0.00 O ATOM 422 CB VAL A 34 0.219 -15.192 -11.632 1.00 0.00 C ATOM 423 CG1 VAL A 34 1.617 -15.453 -12.195 1.00 0.00 C ATOM 424 CG2 VAL A 34 -0.274 -13.794 -12.011 1.00 0.00 C ATOM 0 H VAL A 34 -2.354 -15.209 -11.225 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.485 -16.531 -13.115 1.00 0.00 H new ATOM 0 HB VAL A 34 0.282 -15.241 -10.545 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.299 -14.676 -11.850 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.972 -16.425 -11.852 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.578 -15.445 -13.284 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.445 -13.050 -11.670 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.380 -13.727 -13.094 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.239 -13.608 -11.540 1.00 0.00 H new ATOM 434 N LEU A 35 -0.410 -18.644 -11.937 1.00 0.00 N ATOM 435 CA LEU A 35 -0.312 -19.931 -11.269 1.00 0.00 C ATOM 436 C LEU A 35 0.824 -19.884 -10.246 1.00 0.00 C ATOM 437 O LEU A 35 0.951 -20.780 -9.412 1.00 0.00 O ATOM 438 CB LEU A 35 -0.169 -21.057 -12.296 1.00 0.00 C ATOM 439 CG LEU A 35 -1.365 -22.003 -12.424 1.00 0.00 C ATOM 440 CD1 LEU A 35 -1.153 -23.003 -13.562 1.00 0.00 C ATOM 441 CD2 LEU A 35 -1.656 -22.701 -11.094 1.00 0.00 C ATOM 0 H LEU A 35 -0.241 -18.671 -12.942 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.228 -20.146 -10.719 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.022 -20.610 -13.272 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.710 -21.647 -12.038 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.245 -21.410 -12.676 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.017 -23.664 -13.632 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.031 -22.464 -14.502 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.259 -23.595 -13.365 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.510 -23.368 -11.212 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.784 -23.279 -10.788 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.881 -21.954 -10.333 1.00 0.00 H new ATOM 453 N ALA A 36 1.622 -18.831 -10.342 1.00 0.00 N ATOM 454 CA ALA A 36 2.744 -18.656 -9.435 1.00 0.00 C ATOM 455 C ALA A 36 3.914 -19.523 -9.904 1.00 0.00 C ATOM 456 O ALA A 36 5.019 -19.022 -10.109 1.00 0.00 O ATOM 457 CB ALA A 36 2.304 -18.993 -8.009 1.00 0.00 C ATOM 0 H ALA A 36 1.514 -18.090 -11.034 1.00 0.00 H new ATOM 0 HA ALA A 36 3.081 -17.619 -9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.145 -18.862 -7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.491 -18.330 -7.713 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.962 -20.027 -7.969 1.00 0.00 H new ATOM 463 N LEU A 37 3.632 -20.808 -10.061 1.00 0.00 N ATOM 464 CA LEU A 37 4.647 -21.749 -10.502 1.00 0.00 C ATOM 465 C LEU A 37 5.487 -21.105 -11.607 1.00 0.00 C ATOM 466 O LEU A 37 6.709 -21.249 -11.627 1.00 0.00 O ATOM 467 CB LEU A 37 4.006 -23.076 -10.912 1.00 0.00 C ATOM 468 CG LEU A 37 3.815 -24.102 -9.793 1.00 0.00 C ATOM 469 CD1 LEU A 37 5.121 -24.843 -9.501 1.00 0.00 C ATOM 470 CD2 LEU A 37 3.235 -23.445 -8.539 1.00 0.00 C ATOM 0 H LEU A 37 2.714 -21.220 -9.890 1.00 0.00 H new ATOM 0 HA LEU A 37 5.325 -21.989 -9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.033 -22.865 -11.355 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.620 -23.528 -11.691 1.00 0.00 H new ATOM 0 HG LEU A 37 3.092 -24.845 -10.130 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.958 -25.566 -8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.453 -25.363 -10.399 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.884 -24.128 -9.193 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.109 -24.196 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.914 -22.668 -8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.268 -23.002 -8.775 1.00 0.00 H new ATOM 482 N ASP A 38 4.799 -20.409 -12.500 1.00 0.00 N ATOM 483 CA ASP A 38 5.467 -19.742 -13.605 1.00 0.00 C ATOM 484 C ASP A 38 6.266 -18.552 -13.070 1.00 0.00 C ATOM 485 O ASP A 38 7.419 -18.354 -13.448 1.00 0.00 O ATOM 486 CB ASP A 38 4.454 -19.213 -14.622 1.00 0.00 C ATOM 487 CG ASP A 38 4.718 -19.623 -16.072 1.00 0.00 C ATOM 488 OD1 ASP A 38 5.839 -19.476 -16.583 1.00 0.00 O ATOM 489 OD2 ASP A 38 3.701 -20.118 -16.693 1.00 0.00 O ATOM 0 H ASP A 38 3.786 -20.292 -12.481 1.00 0.00 H new ATOM 0 HA ASP A 38 6.121 -20.467 -14.090 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.461 -19.560 -14.337 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.439 -18.125 -14.565 1.00 0.00 H new ATOM 495 N ALA A 39 5.620 -17.791 -12.198 1.00 0.00 N ATOM 496 CA ALA A 39 6.256 -16.626 -11.607 1.00 0.00 C ATOM 497 C ALA A 39 7.626 -17.024 -11.053 1.00 0.00 C ATOM 498 O ALA A 39 8.602 -16.293 -11.217 1.00 0.00 O ATOM 499 CB ALA A 39 5.342 -16.036 -10.531 1.00 0.00 C ATOM 0 H ALA A 39 4.663 -17.959 -11.887 1.00 0.00 H new ATOM 0 HA ALA A 39 6.416 -15.853 -12.359 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.819 -15.162 -10.088 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.393 -15.743 -10.980 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.162 -16.782 -9.757 1.00 0.00 H new ATOM 505 N ALA A 40 7.655 -18.182 -10.409 1.00 0.00 N ATOM 506 CA ALA A 40 8.889 -18.685 -9.830 1.00 0.00 C ATOM 507 C ALA A 40 9.890 -18.978 -10.950 1.00 0.00 C ATOM 508 O ALA A 40 11.099 -18.861 -10.752 1.00 0.00 O ATOM 509 CB ALA A 40 8.587 -19.921 -8.980 1.00 0.00 C ATOM 0 H ALA A 40 6.844 -18.786 -10.276 1.00 0.00 H new ATOM 0 HA ALA A 40 9.337 -17.939 -9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.513 -20.299 -8.545 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.894 -19.653 -8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.139 -20.693 -9.606 1.00 0.00 H new ATOM 515 N ALA A 41 9.350 -19.352 -12.100 1.00 0.00 N ATOM 516 CA ALA A 41 10.181 -19.662 -13.251 1.00 0.00 C ATOM 517 C ALA A 41 10.798 -18.370 -13.792 1.00 0.00 C ATOM 518 O ALA A 41 12.003 -18.305 -14.027 1.00 0.00 O ATOM 519 CB ALA A 41 9.344 -20.394 -14.303 1.00 0.00 C ATOM 0 H ALA A 41 8.347 -19.447 -12.260 1.00 0.00 H new ATOM 0 HA ALA A 41 10.999 -20.324 -12.967 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.967 -20.627 -15.166 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.953 -21.319 -13.878 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.515 -19.759 -14.615 1.00 0.00 H new ATOM 525 N PHE A 42 9.942 -17.375 -13.974 1.00 0.00 N ATOM 526 CA PHE A 42 10.388 -16.089 -14.483 1.00 0.00 C ATOM 527 C PHE A 42 11.382 -15.434 -13.522 1.00 0.00 C ATOM 528 O PHE A 42 12.341 -14.796 -13.955 1.00 0.00 O ATOM 529 CB PHE A 42 9.148 -15.200 -14.600 1.00 0.00 C ATOM 530 CG PHE A 42 9.463 -13.711 -14.757 1.00 0.00 C ATOM 531 CD1 PHE A 42 10.002 -13.248 -15.917 1.00 0.00 C ATOM 532 CD2 PHE A 42 9.204 -12.850 -13.736 1.00 0.00 C ATOM 533 CE1 PHE A 42 10.294 -11.866 -16.062 1.00 0.00 C ATOM 534 CE2 PHE A 42 9.496 -11.468 -13.882 1.00 0.00 C ATOM 535 CZ PHE A 42 10.035 -11.005 -15.042 1.00 0.00 C ATOM 0 H PHE A 42 8.943 -17.433 -13.778 1.00 0.00 H new ATOM 0 HA PHE A 42 10.886 -16.221 -15.444 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.558 -15.528 -15.455 1.00 0.00 H new ATOM 0 HB3 PHE A 42 8.529 -15.339 -13.713 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.208 -13.931 -16.728 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.776 -13.217 -12.815 1.00 0.00 H new ATOM 0 HE1 PHE A 42 10.722 -11.499 -16.983 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.290 -10.784 -13.072 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.257 -9.954 -15.153 1.00 0.00 H new ATOM 545 N LEU A 43 11.119 -15.613 -12.236 1.00 0.00 N ATOM 546 CA LEU A 43 11.979 -15.047 -11.210 1.00 0.00 C ATOM 547 C LEU A 43 13.373 -15.668 -11.320 1.00 0.00 C ATOM 548 O LEU A 43 14.378 -14.963 -11.236 1.00 0.00 O ATOM 549 CB LEU A 43 11.341 -15.208 -9.829 1.00 0.00 C ATOM 550 CG LEU A 43 10.142 -14.304 -9.534 1.00 0.00 C ATOM 551 CD1 LEU A 43 9.441 -14.728 -8.242 1.00 0.00 C ATOM 552 CD2 LEU A 43 10.560 -12.832 -9.503 1.00 0.00 C ATOM 0 H LEU A 43 10.323 -16.142 -11.881 1.00 0.00 H new ATOM 0 HA LEU A 43 12.095 -13.974 -11.359 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.025 -16.245 -9.715 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.105 -15.023 -9.074 1.00 0.00 H new ATOM 0 HG LEU A 43 9.421 -14.417 -10.344 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.593 -14.070 -8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.089 -15.755 -8.339 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.141 -14.662 -7.409 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.690 -12.211 -9.292 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.310 -12.683 -8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.979 -12.552 -10.470 1.00 0.00 H new ATOM 564 N LYS A 44 13.389 -16.979 -11.506 1.00 0.00 N ATOM 565 CA LYS A 44 14.643 -17.702 -11.629 1.00 0.00 C ATOM 566 C LYS A 44 15.517 -17.025 -12.687 1.00 0.00 C ATOM 567 O LYS A 44 16.736 -17.186 -12.686 1.00 0.00 O ATOM 568 CB LYS A 44 14.383 -19.185 -11.904 1.00 0.00 C ATOM 569 CG LYS A 44 14.139 -19.949 -10.601 1.00 0.00 C ATOM 570 CD LYS A 44 15.194 -21.039 -10.399 1.00 0.00 C ATOM 571 CE LYS A 44 14.665 -22.154 -9.495 1.00 0.00 C ATOM 572 NZ LYS A 44 14.466 -23.399 -10.271 1.00 0.00 N ATOM 0 H LYS A 44 12.553 -17.560 -11.575 1.00 0.00 H new ATOM 0 HA LYS A 44 15.195 -17.668 -10.690 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.519 -19.291 -12.559 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.236 -19.616 -12.429 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.161 -19.256 -9.760 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.146 -20.398 -10.619 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.482 -21.455 -11.365 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.091 -20.604 -9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.367 -22.334 -8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.723 -21.846 -9.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.107 -24.146 -9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.779 -23.227 -11.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.372 -23.700 -10.683 1.00 0.00 H new ATOM 583 N LYS A 45 14.858 -16.282 -13.564 1.00 0.00 N ATOM 584 CA LYS A 45 15.559 -15.579 -14.625 1.00 0.00 C ATOM 585 C LYS A 45 16.315 -14.389 -14.031 1.00 0.00 C ATOM 586 O LYS A 45 17.041 -13.694 -14.739 1.00 0.00 O ATOM 587 CB LYS A 45 14.590 -15.195 -15.745 1.00 0.00 C ATOM 588 CG LYS A 45 13.777 -16.407 -16.206 1.00 0.00 C ATOM 589 CD LYS A 45 14.111 -16.772 -17.654 1.00 0.00 C ATOM 590 CE LYS A 45 12.939 -16.454 -18.584 1.00 0.00 C ATOM 591 NZ LYS A 45 12.827 -17.478 -19.646 1.00 0.00 N ATOM 0 H LYS A 45 13.846 -16.152 -13.562 1.00 0.00 H new ATOM 0 HA LYS A 45 16.301 -16.230 -15.087 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.917 -14.412 -15.396 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.147 -14.784 -16.587 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.984 -17.257 -15.556 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.712 -16.190 -16.118 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.995 -16.222 -17.977 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.354 -17.833 -17.719 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.013 -16.414 -18.011 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.080 -15.470 -19.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.026 -17.247 -20.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.705 -17.497 -20.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.671 -18.411 -19.214 1.00 0.00 H new ATOM 602 N SER A 46 16.118 -14.191 -12.735 1.00 0.00 N ATOM 603 CA SER A 46 16.771 -13.097 -12.038 1.00 0.00 C ATOM 604 C SER A 46 18.280 -13.343 -11.975 1.00 0.00 C ATOM 605 O SER A 46 19.048 -12.697 -12.686 1.00 0.00 O ATOM 606 CB SER A 46 16.203 -12.925 -10.628 1.00 0.00 C ATOM 607 OG SER A 46 16.540 -14.019 -9.779 1.00 0.00 O ATOM 0 H SER A 46 15.515 -14.770 -12.150 1.00 0.00 H new ATOM 0 HA SER A 46 16.582 -12.178 -12.592 1.00 0.00 H new ATOM 0 HB2 SER A 46 16.583 -12.000 -10.195 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.119 -12.830 -10.683 1.00 0.00 H new ATOM 0 HG SER A 46 15.918 -14.760 -9.938 1.00 0.00 H new ATOM 613 N GLY A 47 18.660 -14.280 -11.119 1.00 0.00 N ATOM 614 CA GLY A 47 20.063 -14.620 -10.954 1.00 0.00 C ATOM 615 C GLY A 47 20.317 -15.253 -9.585 1.00 0.00 C ATOM 616 O GLY A 47 21.287 -15.987 -9.407 1.00 0.00 O ATOM 0 H GLY A 47 18.020 -14.815 -10.532 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.368 -15.311 -11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 47 20.673 -13.723 -11.063 1.00 0.00 H new ATOM 620 N LEU A 48 19.427 -14.946 -8.652 1.00 0.00 N ATOM 621 CA LEU A 48 19.543 -15.476 -7.304 1.00 0.00 C ATOM 622 C LEU A 48 19.225 -16.972 -7.320 1.00 0.00 C ATOM 623 O LEU A 48 18.609 -17.470 -8.261 1.00 0.00 O ATOM 624 CB LEU A 48 18.671 -14.673 -6.336 1.00 0.00 C ATOM 625 CG LEU A 48 19.250 -13.338 -5.862 1.00 0.00 C ATOM 626 CD1 LEU A 48 18.153 -12.435 -5.296 1.00 0.00 C ATOM 627 CD2 LEU A 48 20.385 -13.558 -4.860 1.00 0.00 C ATOM 0 H LEU A 48 18.623 -14.337 -8.803 1.00 0.00 H new ATOM 0 HA LEU A 48 20.565 -15.370 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.712 -14.480 -6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 48 18.471 -15.291 -5.461 1.00 0.00 H new ATOM 0 HG LEU A 48 19.676 -12.825 -6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.591 -11.493 -4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.409 -12.239 -6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.676 -12.929 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 48 20.779 -12.594 -4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.006 -14.102 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 48 21.180 -14.136 -5.332 1.00 0.00 H new ATOM 639 N PRO A 49 19.672 -17.666 -6.239 1.00 0.00 N ATOM 640 CA PRO A 49 19.442 -19.096 -6.120 1.00 0.00 C ATOM 641 C PRO A 49 17.987 -19.388 -5.750 1.00 0.00 C ATOM 642 O PRO A 49 17.125 -18.519 -5.872 1.00 0.00 O ATOM 643 CB PRO A 49 20.430 -19.567 -5.065 1.00 0.00 C ATOM 644 CG PRO A 49 20.850 -18.321 -4.302 1.00 0.00 C ATOM 645 CD PRO A 49 20.405 -17.110 -5.106 1.00 0.00 C ATOM 0 HA PRO A 49 19.599 -19.627 -7.059 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.971 -20.297 -4.398 1.00 0.00 H new ATOM 0 HB3 PRO A 49 21.291 -20.052 -5.525 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.396 -18.309 -3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 49 21.930 -18.308 -4.158 1.00 0.00 H new ATOM 0 HD2 PRO A 49 19.773 -16.450 -4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 49 21.259 -16.520 -5.438 1.00 0.00 H new ATOM 653 N ASP A 50 17.758 -20.615 -5.304 1.00 0.00 N ATOM 654 CA ASP A 50 16.422 -21.033 -4.915 1.00 0.00 C ATOM 655 C ASP A 50 16.281 -20.927 -3.395 1.00 0.00 C ATOM 656 O ASP A 50 15.193 -20.662 -2.886 1.00 0.00 O ATOM 657 CB ASP A 50 16.161 -22.487 -5.314 1.00 0.00 C ATOM 658 CG ASP A 50 16.789 -22.916 -6.642 1.00 0.00 C ATOM 659 OD1 ASP A 50 17.249 -22.077 -7.431 1.00 0.00 O ATOM 660 OD2 ASP A 50 16.794 -24.188 -6.856 1.00 0.00 O ATOM 0 H ASP A 50 18.476 -21.333 -5.204 1.00 0.00 H new ATOM 0 HA ASP A 50 15.706 -20.386 -5.422 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.537 -23.138 -4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.084 -22.645 -5.371 1.00 0.00 H new ATOM 666 N LEU A 51 17.397 -21.140 -2.714 1.00 0.00 N ATOM 667 CA LEU A 51 17.412 -21.071 -1.262 1.00 0.00 C ATOM 668 C LEU A 51 16.978 -19.673 -0.817 1.00 0.00 C ATOM 669 O LEU A 51 15.947 -19.518 -0.165 1.00 0.00 O ATOM 670 CB LEU A 51 18.780 -21.493 -0.720 1.00 0.00 C ATOM 671 CG LEU A 51 19.331 -20.653 0.434 1.00 0.00 C ATOM 672 CD1 LEU A 51 18.399 -20.706 1.645 1.00 0.00 C ATOM 673 CD2 LEU A 51 20.757 -21.079 0.789 1.00 0.00 C ATOM 0 H LEU A 51 18.297 -21.360 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 51 16.696 -21.776 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 51 18.714 -22.530 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 51 19.498 -21.465 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 51 19.376 -19.614 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.814 -20.101 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.419 -20.317 1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 51 18.298 -21.738 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 51 21.125 -20.467 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 51 20.760 -22.127 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 51 21.403 -20.947 -0.079 1.00 0.00 H new ATOM 685 N ILE A 52 17.787 -18.692 -1.188 1.00 0.00 N ATOM 686 CA ILE A 52 17.500 -17.312 -0.835 1.00 0.00 C ATOM 687 C ILE A 52 16.119 -16.930 -1.371 1.00 0.00 C ATOM 688 O ILE A 52 15.393 -16.164 -0.738 1.00 0.00 O ATOM 689 CB ILE A 52 18.623 -16.391 -1.316 1.00 0.00 C ATOM 690 CG1 ILE A 52 19.940 -16.717 -0.611 1.00 0.00 C ATOM 691 CG2 ILE A 52 18.234 -14.920 -1.152 1.00 0.00 C ATOM 692 CD1 ILE A 52 20.072 -15.932 0.696 1.00 0.00 C ATOM 0 H ILE A 52 18.641 -18.825 -1.729 1.00 0.00 H new ATOM 0 HA ILE A 52 17.466 -17.195 0.248 1.00 0.00 H new ATOM 0 HB ILE A 52 18.776 -16.567 -2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 52 19.991 -17.786 -0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 52 20.777 -16.480 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 52 19.050 -14.287 -1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 52 17.338 -14.713 -1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 52 18.037 -14.711 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 52 21.017 -16.183 1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 52 20.045 -14.863 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 52 19.247 -16.190 1.360 1.00 0.00 H new ATOM 704 N LEU A 53 15.797 -17.481 -2.532 1.00 0.00 N ATOM 705 CA LEU A 53 14.515 -17.208 -3.160 1.00 0.00 C ATOM 706 C LEU A 53 13.392 -17.756 -2.278 1.00 0.00 C ATOM 707 O LEU A 53 12.389 -17.081 -2.052 1.00 0.00 O ATOM 708 CB LEU A 53 14.494 -17.749 -4.591 1.00 0.00 C ATOM 709 CG LEU A 53 14.680 -16.715 -5.703 1.00 0.00 C ATOM 710 CD1 LEU A 53 14.714 -17.387 -7.077 1.00 0.00 C ATOM 711 CD2 LEU A 53 13.609 -15.626 -5.624 1.00 0.00 C ATOM 0 H LEU A 53 16.401 -18.115 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 53 14.355 -16.133 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.278 -18.500 -4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.544 -18.259 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 53 15.645 -16.229 -5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.847 -16.629 -7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 53 15.543 -18.094 -7.116 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.777 -17.917 -7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 53 13.764 -14.904 -6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.622 -16.078 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.676 -15.119 -4.661 1.00 0.00 H new ATOM 723 N GLY A 54 13.598 -18.976 -1.803 1.00 0.00 N ATOM 724 CA GLY A 54 12.615 -19.623 -0.951 1.00 0.00 C ATOM 725 C GLY A 54 12.096 -18.658 0.117 1.00 0.00 C ATOM 726 O GLY A 54 10.889 -18.557 0.334 1.00 0.00 O ATOM 0 H GLY A 54 14.431 -19.533 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.783 -19.982 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.061 -20.495 -0.473 1.00 0.00 H new ATOM 730 N LYS A 55 13.033 -17.972 0.756 1.00 0.00 N ATOM 731 CA LYS A 55 12.684 -17.019 1.796 1.00 0.00 C ATOM 732 C LYS A 55 11.808 -15.916 1.198 1.00 0.00 C ATOM 733 O LYS A 55 10.809 -15.520 1.796 1.00 0.00 O ATOM 734 CB LYS A 55 13.945 -16.495 2.486 1.00 0.00 C ATOM 735 CG LYS A 55 14.443 -17.485 3.542 1.00 0.00 C ATOM 736 CD LYS A 55 14.332 -16.888 4.947 1.00 0.00 C ATOM 737 CE LYS A 55 12.991 -17.245 5.590 1.00 0.00 C ATOM 738 NZ LYS A 55 13.202 -17.995 6.849 1.00 0.00 N ATOM 0 H LYS A 55 14.033 -18.057 0.574 1.00 0.00 H new ATOM 0 HA LYS A 55 12.098 -17.504 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.726 -16.325 1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.735 -15.533 2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.861 -18.405 3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.480 -17.751 3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.147 -17.258 5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.437 -15.804 4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.425 -16.336 5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.397 -17.843 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.281 -18.229 7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.724 -18.872 6.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.750 -17.411 7.513 1.00 0.00 H new ATOM 749 N ILE A 56 12.214 -15.452 0.025 1.00 0.00 N ATOM 750 CA ILE A 56 11.478 -14.404 -0.660 1.00 0.00 C ATOM 751 C ILE A 56 10.032 -14.857 -0.873 1.00 0.00 C ATOM 752 O ILE A 56 9.097 -14.178 -0.452 1.00 0.00 O ATOM 753 CB ILE A 56 12.193 -14.003 -1.952 1.00 0.00 C ATOM 754 CG1 ILE A 56 13.505 -13.276 -1.649 1.00 0.00 C ATOM 755 CG2 ILE A 56 11.275 -13.176 -2.854 1.00 0.00 C ATOM 756 CD1 ILE A 56 13.952 -12.431 -2.844 1.00 0.00 C ATOM 0 H ILE A 56 13.043 -15.783 -0.468 1.00 0.00 H new ATOM 0 HA ILE A 56 11.443 -13.502 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 56 12.446 -14.912 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.378 -12.637 -0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 56 14.279 -14.003 -1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.808 -12.905 -3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.393 -13.762 -3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.969 -12.271 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 56 14.887 -11.925 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.102 -13.076 -3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.186 -11.689 -3.072 1.00 0.00 H new ATOM 768 N TRP A 57 9.894 -16.001 -1.526 1.00 0.00 N ATOM 769 CA TRP A 57 8.578 -16.553 -1.800 1.00 0.00 C ATOM 770 C TRP A 57 7.834 -16.683 -0.469 1.00 0.00 C ATOM 771 O TRP A 57 6.731 -16.159 -0.317 1.00 0.00 O ATOM 772 CB TRP A 57 8.686 -17.878 -2.556 1.00 0.00 C ATOM 773 CG TRP A 57 7.355 -18.386 -3.115 1.00 0.00 C ATOM 774 CD1 TRP A 57 6.369 -19.011 -2.458 1.00 0.00 C ATOM 775 CD2 TRP A 57 6.902 -18.284 -4.482 1.00 0.00 C ATOM 776 NE1 TRP A 57 5.318 -19.319 -3.298 1.00 0.00 N ATOM 777 CE2 TRP A 57 5.652 -18.863 -4.568 1.00 0.00 C ATOM 778 CE3 TRP A 57 7.528 -17.721 -5.608 1.00 0.00 C ATOM 779 CZ2 TRP A 57 4.921 -18.935 -5.759 1.00 0.00 C ATOM 780 CZ3 TRP A 57 6.784 -17.802 -6.792 1.00 0.00 C ATOM 781 CH2 TRP A 57 5.524 -18.381 -6.894 1.00 0.00 C ATOM 0 H TRP A 57 10.672 -16.561 -1.874 1.00 0.00 H new ATOM 0 HA TRP A 57 8.010 -15.891 -2.453 1.00 0.00 H new ATOM 0 HB2 TRP A 57 9.392 -17.759 -3.378 1.00 0.00 H new ATOM 0 HB3 TRP A 57 9.100 -18.633 -1.888 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.393 -19.244 -1.404 1.00 0.00 H new ATOM 0 HE1 TRP A 57 4.455 -19.794 -3.035 1.00 0.00 H new ATOM 0 HE3 TRP A 57 8.505 -17.263 -5.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.944 -19.393 -5.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.219 -17.386 -7.688 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.013 -18.403 -7.845 1.00 0.00 H new ATOM 792 N ASP A 58 8.467 -17.384 0.460 1.00 0.00 N ATOM 793 CA ASP A 58 7.878 -17.589 1.773 1.00 0.00 C ATOM 794 C ASP A 58 7.323 -16.261 2.292 1.00 0.00 C ATOM 795 O ASP A 58 6.232 -16.220 2.858 1.00 0.00 O ATOM 796 CB ASP A 58 8.923 -18.088 2.773 1.00 0.00 C ATOM 797 CG ASP A 58 8.363 -18.901 3.942 1.00 0.00 C ATOM 798 OD1 ASP A 58 7.450 -18.454 4.651 1.00 0.00 O ATOM 799 OD2 ASP A 58 8.911 -20.056 4.114 1.00 0.00 O ATOM 0 H ASP A 58 9.381 -17.817 0.330 1.00 0.00 H new ATOM 0 HA ASP A 58 7.087 -18.333 1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.651 -18.700 2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.461 -17.228 3.173 1.00 0.00 H new ATOM 805 N LEU A 59 8.099 -15.209 2.079 1.00 0.00 N ATOM 806 CA LEU A 59 7.698 -13.883 2.518 1.00 0.00 C ATOM 807 C LEU A 59 6.651 -13.325 1.552 1.00 0.00 C ATOM 808 O LEU A 59 5.785 -12.548 1.951 1.00 0.00 O ATOM 809 CB LEU A 59 8.923 -12.981 2.685 1.00 0.00 C ATOM 810 CG LEU A 59 8.636 -11.512 3.004 1.00 0.00 C ATOM 811 CD1 LEU A 59 8.367 -10.716 1.725 1.00 0.00 C ATOM 812 CD2 LEU A 59 7.491 -11.383 4.011 1.00 0.00 C ATOM 0 H LEU A 59 9.003 -15.248 1.608 1.00 0.00 H new ATOM 0 HA LEU A 59 7.230 -13.933 3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.545 -13.390 3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.510 -13.025 1.767 1.00 0.00 H new ATOM 0 HG LEU A 59 9.524 -11.084 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.166 -9.675 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.239 -10.768 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.504 -11.137 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.308 -10.329 4.220 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.589 -11.833 3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.760 -11.895 4.935 1.00 0.00 H new ATOM 824 N ALA A 60 6.764 -13.744 0.300 1.00 0.00 N ATOM 825 CA ALA A 60 5.838 -13.296 -0.726 1.00 0.00 C ATOM 826 C ALA A 60 4.440 -13.838 -0.416 1.00 0.00 C ATOM 827 O ALA A 60 3.505 -13.067 -0.207 1.00 0.00 O ATOM 828 CB ALA A 60 6.344 -13.740 -2.100 1.00 0.00 C ATOM 0 H ALA A 60 7.483 -14.389 -0.027 1.00 0.00 H new ATOM 0 HA ALA A 60 5.775 -12.208 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.649 -13.404 -2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.327 -13.306 -2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.417 -14.827 -2.127 1.00 0.00 H new ATOM 834 N ASP A 61 4.343 -15.159 -0.396 1.00 0.00 N ATOM 835 CA ASP A 61 3.076 -15.812 -0.116 1.00 0.00 C ATOM 836 C ASP A 61 2.342 -15.040 0.982 1.00 0.00 C ATOM 837 O ASP A 61 2.929 -14.706 2.010 1.00 0.00 O ATOM 838 CB ASP A 61 3.292 -17.244 0.376 1.00 0.00 C ATOM 839 CG ASP A 61 2.016 -18.076 0.523 1.00 0.00 C ATOM 840 OD1 ASP A 61 1.450 -18.189 1.621 1.00 0.00 O ATOM 841 OD2 ASP A 61 1.599 -18.632 -0.564 1.00 0.00 O ATOM 0 H ASP A 61 5.121 -15.795 -0.569 1.00 0.00 H new ATOM 0 HA ASP A 61 2.495 -15.832 -1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.962 -17.753 -0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.798 -17.208 1.341 1.00 0.00 H new ATOM 847 N THR A 62 1.068 -14.780 0.728 1.00 0.00 N ATOM 848 CA THR A 62 0.247 -14.054 1.682 1.00 0.00 C ATOM 849 C THR A 62 -1.234 -14.189 1.322 1.00 0.00 C ATOM 850 O THR A 62 -2.074 -14.382 2.200 1.00 0.00 O ATOM 851 CB THR A 62 0.734 -12.604 1.718 1.00 0.00 C ATOM 852 OG1 THR A 62 1.721 -12.595 2.745 1.00 0.00 O ATOM 853 CG2 THR A 62 -0.340 -11.638 2.223 1.00 0.00 C ATOM 0 H THR A 62 0.584 -15.059 -0.125 1.00 0.00 H new ATOM 0 HA THR A 62 0.345 -14.470 2.685 1.00 0.00 H new ATOM 0 HB THR A 62 1.052 -12.303 0.720 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.102 -13.493 2.840 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.057 -10.623 2.229 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.209 -11.684 1.566 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.635 -11.918 3.234 1.00 0.00 H new ATOM 861 N ASP A 63 -1.509 -14.081 0.031 1.00 0.00 N ATOM 862 CA ASP A 63 -2.874 -14.188 -0.456 1.00 0.00 C ATOM 863 C ASP A 63 -3.309 -15.655 -0.421 1.00 0.00 C ATOM 864 O ASP A 63 -4.248 -16.011 0.290 1.00 0.00 O ATOM 865 CB ASP A 63 -2.984 -13.696 -1.900 1.00 0.00 C ATOM 866 CG ASP A 63 -4.262 -12.919 -2.222 1.00 0.00 C ATOM 867 OD1 ASP A 63 -4.376 -11.722 -1.916 1.00 0.00 O ATOM 868 OD2 ASP A 63 -5.179 -13.600 -2.822 1.00 0.00 O ATOM 0 H ASP A 63 -0.809 -13.920 -0.694 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.509 -13.574 0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.126 -13.061 -2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.922 -14.556 -2.567 1.00 0.00 H new ATOM 874 N GLY A 64 -2.606 -16.466 -1.198 1.00 0.00 N ATOM 875 CA GLY A 64 -2.909 -17.886 -1.265 1.00 0.00 C ATOM 876 C GLY A 64 -1.932 -18.611 -2.193 1.00 0.00 C ATOM 877 O GLY A 64 -1.906 -18.355 -3.396 1.00 0.00 O ATOM 0 H GLY A 64 -1.828 -16.167 -1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.858 -18.320 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.929 -18.028 -1.622 1.00 0.00 H new ATOM 881 N LYS A 65 -1.152 -19.502 -1.598 1.00 0.00 N ATOM 882 CA LYS A 65 -0.175 -20.266 -2.356 1.00 0.00 C ATOM 883 C LYS A 65 -0.843 -20.838 -3.609 1.00 0.00 C ATOM 884 O LYS A 65 -2.069 -20.882 -3.698 1.00 0.00 O ATOM 885 CB LYS A 65 0.480 -21.327 -1.470 1.00 0.00 C ATOM 886 CG LYS A 65 1.881 -21.676 -1.977 1.00 0.00 C ATOM 887 CD LYS A 65 2.002 -23.174 -2.265 1.00 0.00 C ATOM 888 CE LYS A 65 2.840 -23.872 -1.193 1.00 0.00 C ATOM 889 NZ LYS A 65 2.335 -25.242 -0.951 1.00 0.00 N ATOM 0 H LYS A 65 -1.177 -19.712 -0.600 1.00 0.00 H new ATOM 0 HA LYS A 65 0.636 -19.620 -2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.541 -20.963 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.139 -22.224 -1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.095 -21.109 -2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.624 -21.383 -1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.009 -23.622 -2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.458 -23.324 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.883 -23.913 -1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.809 -23.298 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.915 -25.702 -0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.347 -25.196 -0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.388 -25.792 -1.832 1.00 0.00 H new ATOM 900 N GLY A 66 -0.006 -21.261 -4.545 1.00 0.00 N ATOM 901 CA GLY A 66 -0.500 -21.828 -5.789 1.00 0.00 C ATOM 902 C GLY A 66 -0.805 -20.729 -6.809 1.00 0.00 C ATOM 903 O GLY A 66 -0.957 -21.006 -7.998 1.00 0.00 O ATOM 0 H GLY A 66 1.010 -21.223 -4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.240 -22.515 -6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.401 -22.410 -5.595 1.00 0.00 H new ATOM 907 N VAL A 67 -0.886 -19.506 -6.307 1.00 0.00 N ATOM 908 CA VAL A 67 -1.171 -18.365 -7.160 1.00 0.00 C ATOM 909 C VAL A 67 -0.562 -17.105 -6.540 1.00 0.00 C ATOM 910 O VAL A 67 -0.441 -17.006 -5.320 1.00 0.00 O ATOM 911 CB VAL A 67 -2.679 -18.248 -7.392 1.00 0.00 C ATOM 912 CG1 VAL A 67 -2.984 -17.285 -8.542 1.00 0.00 C ATOM 913 CG2 VAL A 67 -3.303 -19.621 -7.647 1.00 0.00 C ATOM 0 H VAL A 67 -0.759 -19.280 -5.320 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.714 -18.498 -8.141 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.126 -17.840 -6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.063 -17.220 -8.686 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.590 -16.297 -8.304 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.517 -17.651 -9.457 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.375 -19.509 -7.809 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.848 -20.069 -8.530 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.131 -20.265 -6.784 1.00 0.00 H new ATOM 923 N LEU A 68 -0.195 -16.175 -7.409 1.00 0.00 N ATOM 924 CA LEU A 68 0.398 -14.926 -6.961 1.00 0.00 C ATOM 925 C LEU A 68 -0.627 -13.799 -7.106 1.00 0.00 C ATOM 926 O LEU A 68 -1.628 -13.951 -7.804 1.00 0.00 O ATOM 927 CB LEU A 68 1.711 -14.662 -7.700 1.00 0.00 C ATOM 928 CG LEU A 68 2.853 -15.638 -7.408 1.00 0.00 C ATOM 929 CD1 LEU A 68 4.147 -15.188 -8.090 1.00 0.00 C ATOM 930 CD2 LEU A 68 3.037 -15.831 -5.901 1.00 0.00 C ATOM 0 H LEU A 68 -0.297 -16.261 -8.420 1.00 0.00 H new ATOM 0 HA LEU A 68 0.660 -14.985 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.511 -14.677 -8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.048 -13.655 -7.453 1.00 0.00 H new ATOM 0 HG LEU A 68 2.589 -16.609 -7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.942 -15.899 -7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.993 -15.143 -9.168 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.428 -14.201 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.855 -16.529 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.269 -14.872 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.118 -16.229 -5.470 1.00 0.00 H new ATOM 942 N SER A 69 -0.340 -12.692 -6.436 1.00 0.00 N ATOM 943 CA SER A 69 -1.224 -11.540 -6.482 1.00 0.00 C ATOM 944 C SER A 69 -0.488 -10.339 -7.081 1.00 0.00 C ATOM 945 O SER A 69 0.646 -10.467 -7.539 1.00 0.00 O ATOM 946 CB SER A 69 -1.754 -11.197 -5.088 1.00 0.00 C ATOM 947 OG SER A 69 -2.304 -12.335 -4.431 1.00 0.00 O ATOM 0 H SER A 69 0.492 -12.569 -5.859 1.00 0.00 H new ATOM 0 HA SER A 69 -2.076 -11.788 -7.115 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.945 -10.785 -4.484 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.516 -10.422 -5.171 1.00 0.00 H new ATOM 0 HG SER A 69 -3.212 -12.498 -4.763 1.00 0.00 H new ATOM 953 N LYS A 70 -1.164 -9.200 -7.057 1.00 0.00 N ATOM 954 CA LYS A 70 -0.589 -7.977 -7.592 1.00 0.00 C ATOM 955 C LYS A 70 0.698 -7.649 -6.832 1.00 0.00 C ATOM 956 O LYS A 70 1.759 -8.192 -7.136 1.00 0.00 O ATOM 957 CB LYS A 70 -1.620 -6.847 -7.573 1.00 0.00 C ATOM 958 CG LYS A 70 -2.447 -6.881 -6.286 1.00 0.00 C ATOM 959 CD LYS A 70 -3.840 -7.458 -6.545 1.00 0.00 C ATOM 960 CE LYS A 70 -4.780 -6.390 -7.107 1.00 0.00 C ATOM 961 NZ LYS A 70 -5.665 -5.866 -6.042 1.00 0.00 N ATOM 0 H LYS A 70 -2.104 -9.098 -6.676 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.316 -8.110 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.113 -5.886 -7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.280 -6.937 -8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.934 -7.483 -5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.536 -5.873 -5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.768 -8.290 -7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.250 -7.857 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.198 -5.575 -7.538 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.381 -6.813 -7.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.297 -5.142 -6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.233 -6.643 -5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.087 -5.444 -5.287 1.00 0.00 H new ATOM 972 N GLN A 71 0.561 -6.762 -5.857 1.00 0.00 N ATOM 973 CA GLN A 71 1.700 -6.355 -5.051 1.00 0.00 C ATOM 974 C GLN A 71 2.620 -7.550 -4.791 1.00 0.00 C ATOM 975 O GLN A 71 3.842 -7.404 -4.772 1.00 0.00 O ATOM 976 CB GLN A 71 1.242 -5.720 -3.737 1.00 0.00 C ATOM 977 CG GLN A 71 0.776 -4.280 -3.957 1.00 0.00 C ATOM 978 CD GLN A 71 -0.172 -3.833 -2.842 1.00 0.00 C ATOM 979 OE1 GLN A 71 -1.301 -4.284 -2.734 1.00 0.00 O ATOM 980 NE2 GLN A 71 0.348 -2.925 -2.021 1.00 0.00 N ATOM 0 H GLN A 71 -0.321 -6.314 -5.607 1.00 0.00 H new ATOM 0 HA GLN A 71 2.262 -5.602 -5.604 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.430 -6.307 -3.309 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.060 -5.735 -3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.640 -3.616 -3.993 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.273 -4.200 -4.921 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.300 -2.590 -2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.205 -2.564 -1.244 1.00 0.00 H new ATOM 989 N GLU A 72 1.999 -8.704 -4.598 1.00 0.00 N ATOM 990 CA GLU A 72 2.747 -9.923 -4.341 1.00 0.00 C ATOM 991 C GLU A 72 3.912 -10.049 -5.325 1.00 0.00 C ATOM 992 O GLU A 72 5.050 -9.726 -4.990 1.00 0.00 O ATOM 993 CB GLU A 72 1.836 -11.150 -4.409 1.00 0.00 C ATOM 994 CG GLU A 72 1.398 -11.585 -3.009 1.00 0.00 C ATOM 995 CD GLU A 72 1.664 -13.076 -2.790 1.00 0.00 C ATOM 996 OE1 GLU A 72 2.821 -13.478 -2.599 1.00 0.00 O ATOM 997 OE2 GLU A 72 0.616 -13.827 -2.822 1.00 0.00 O ATOM 0 H GLU A 72 0.986 -8.821 -4.614 1.00 0.00 H new ATOM 0 HA GLU A 72 3.155 -9.870 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.959 -10.923 -5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.360 -11.969 -4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.933 -11.002 -2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.336 -11.378 -2.875 1.00 0.00 H new ATOM 1005 N PHE A 73 3.586 -10.518 -6.521 1.00 0.00 N ATOM 1006 CA PHE A 73 4.590 -10.691 -7.556 1.00 0.00 C ATOM 1007 C PHE A 73 5.332 -9.380 -7.825 1.00 0.00 C ATOM 1008 O PHE A 73 6.475 -9.391 -8.279 1.00 0.00 O ATOM 1009 CB PHE A 73 3.854 -11.117 -8.828 1.00 0.00 C ATOM 1010 CG PHE A 73 4.644 -10.876 -10.115 1.00 0.00 C ATOM 1011 CD1 PHE A 73 4.861 -9.607 -10.553 1.00 0.00 C ATOM 1012 CD2 PHE A 73 5.130 -11.931 -10.822 1.00 0.00 C ATOM 1013 CE1 PHE A 73 5.595 -9.383 -11.748 1.00 0.00 C ATOM 1014 CE2 PHE A 73 5.864 -11.708 -12.017 1.00 0.00 C ATOM 1015 CZ PHE A 73 6.081 -10.439 -12.455 1.00 0.00 C ATOM 0 H PHE A 73 2.640 -10.783 -6.796 1.00 0.00 H new ATOM 0 HA PHE A 73 5.323 -11.434 -7.242 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.610 -12.177 -8.757 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.909 -10.576 -8.887 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.475 -8.769 -9.992 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.958 -12.939 -10.475 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.767 -8.375 -12.095 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.250 -12.546 -12.578 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.639 -10.269 -13.364 1.00 0.00 H new ATOM 1025 N PHE A 74 4.650 -8.282 -7.534 1.00 0.00 N ATOM 1026 CA PHE A 74 5.229 -6.965 -7.739 1.00 0.00 C ATOM 1027 C PHE A 74 6.136 -6.577 -6.569 1.00 0.00 C ATOM 1028 O PHE A 74 6.746 -5.509 -6.579 1.00 0.00 O ATOM 1029 CB PHE A 74 4.068 -5.973 -7.820 1.00 0.00 C ATOM 1030 CG PHE A 74 3.846 -5.387 -9.215 1.00 0.00 C ATOM 1031 CD1 PHE A 74 3.371 -6.176 -10.217 1.00 0.00 C ATOM 1032 CD2 PHE A 74 4.123 -4.077 -9.455 1.00 0.00 C ATOM 1033 CE1 PHE A 74 3.165 -5.632 -11.512 1.00 0.00 C ATOM 1034 CE2 PHE A 74 3.917 -3.533 -10.750 1.00 0.00 C ATOM 1035 CZ PHE A 74 3.442 -4.322 -11.752 1.00 0.00 C ATOM 0 H PHE A 74 3.702 -8.277 -7.158 1.00 0.00 H new ATOM 0 HA PHE A 74 5.831 -6.961 -8.648 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.154 -6.472 -7.497 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.251 -5.158 -7.120 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.151 -7.216 -10.027 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.500 -3.451 -8.660 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.788 -6.258 -12.307 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.137 -2.493 -10.940 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.285 -3.908 -12.737 1.00 0.00 H new ATOM 1045 N VAL A 75 6.195 -7.465 -5.587 1.00 0.00 N ATOM 1046 CA VAL A 75 7.016 -7.229 -4.413 1.00 0.00 C ATOM 1047 C VAL A 75 8.277 -8.092 -4.495 1.00 0.00 C ATOM 1048 O VAL A 75 9.390 -7.587 -4.356 1.00 0.00 O ATOM 1049 CB VAL A 75 6.200 -7.482 -3.144 1.00 0.00 C ATOM 1050 CG1 VAL A 75 7.084 -8.035 -2.024 1.00 0.00 C ATOM 1051 CG2 VAL A 75 5.477 -6.210 -2.694 1.00 0.00 C ATOM 0 H VAL A 75 5.687 -8.349 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 75 7.337 -6.188 -4.375 1.00 0.00 H new ATOM 0 HB VAL A 75 5.445 -8.233 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.479 -8.206 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.531 -8.976 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.872 -7.318 -1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.904 -6.417 -1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.209 -5.429 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.802 -5.877 -3.482 1.00 0.00 H new ATOM 1061 N ALA A 76 8.059 -9.380 -4.720 1.00 0.00 N ATOM 1062 CA ALA A 76 9.164 -10.318 -4.822 1.00 0.00 C ATOM 1063 C ALA A 76 10.116 -9.861 -5.929 1.00 0.00 C ATOM 1064 O ALA A 76 11.316 -10.124 -5.869 1.00 0.00 O ATOM 1065 CB ALA A 76 8.617 -11.726 -5.068 1.00 0.00 C ATOM 0 H ALA A 76 7.134 -9.795 -4.834 1.00 0.00 H new ATOM 0 HA ALA A 76 9.731 -10.346 -3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.446 -12.430 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.971 -12.015 -4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.045 -11.737 -5.996 1.00 0.00 H new ATOM 1071 N LEU A 77 9.544 -9.184 -6.914 1.00 0.00 N ATOM 1072 CA LEU A 77 10.327 -8.687 -8.033 1.00 0.00 C ATOM 1073 C LEU A 77 11.525 -7.898 -7.502 1.00 0.00 C ATOM 1074 O LEU A 77 12.663 -8.359 -7.585 1.00 0.00 O ATOM 1075 CB LEU A 77 9.442 -7.890 -8.994 1.00 0.00 C ATOM 1076 CG LEU A 77 9.336 -8.437 -10.419 1.00 0.00 C ATOM 1077 CD1 LEU A 77 8.363 -7.603 -11.255 1.00 0.00 C ATOM 1078 CD2 LEU A 77 10.716 -8.534 -11.073 1.00 0.00 C ATOM 0 H LEU A 77 8.548 -8.968 -6.961 1.00 0.00 H new ATOM 0 HA LEU A 77 10.726 -9.516 -8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.439 -7.835 -8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.822 -6.870 -9.045 1.00 0.00 H new ATOM 0 HG LEU A 77 8.932 -9.448 -10.368 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.306 -8.013 -12.263 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.375 -7.629 -10.796 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.714 -6.572 -11.302 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.612 -8.926 -12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.171 -7.544 -11.112 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.349 -9.202 -10.489 1.00 0.00 H new ATOM 1090 N ARG A 78 11.229 -6.723 -6.967 1.00 0.00 N ATOM 1091 CA ARG A 78 12.267 -5.865 -6.422 1.00 0.00 C ATOM 1092 C ARG A 78 12.993 -6.573 -5.276 1.00 0.00 C ATOM 1093 O ARG A 78 14.215 -6.493 -5.167 1.00 0.00 O ATOM 1094 CB ARG A 78 11.681 -4.548 -5.909 1.00 0.00 C ATOM 1095 CG ARG A 78 11.207 -3.671 -7.069 1.00 0.00 C ATOM 1096 CD ARG A 78 12.394 -3.080 -7.831 1.00 0.00 C ATOM 1097 NE ARG A 78 12.695 -3.908 -9.020 1.00 0.00 N ATOM 1098 CZ ARG A 78 13.232 -3.426 -10.162 1.00 0.00 C ATOM 1099 NH1 ARG A 78 13.532 -2.115 -10.278 1.00 0.00 N ATOM 1100 NH2 ARG A 78 13.458 -4.257 -11.162 1.00 0.00 N ATOM 0 H ARG A 78 10.284 -6.345 -6.899 1.00 0.00 H new ATOM 0 HA ARG A 78 12.972 -5.647 -7.224 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.846 -4.754 -5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.432 -4.014 -5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.592 -4.262 -7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.578 -2.866 -6.688 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.168 -2.058 -8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.267 -3.032 -7.180 1.00 0.00 H new ATOM 0 HE ARG A 78 12.484 -4.905 -8.974 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.353 -1.480 -9.500 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.937 -1.759 -11.144 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.228 -5.246 -11.065 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.863 -3.910 -12.032 1.00 0.00 H new ATOM 1113 N LEU A 79 12.209 -7.250 -4.450 1.00 0.00 N ATOM 1114 CA LEU A 79 12.761 -7.972 -3.316 1.00 0.00 C ATOM 1115 C LEU A 79 13.985 -8.769 -3.772 1.00 0.00 C ATOM 1116 O LEU A 79 14.989 -8.832 -3.063 1.00 0.00 O ATOM 1117 CB LEU A 79 11.683 -8.828 -2.649 1.00 0.00 C ATOM 1118 CG LEU A 79 11.875 -9.106 -1.157 1.00 0.00 C ATOM 1119 CD1 LEU A 79 10.854 -10.128 -0.653 1.00 0.00 C ATOM 1120 CD2 LEU A 79 13.313 -9.537 -0.860 1.00 0.00 C ATOM 0 H LEU A 79 11.195 -7.314 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 79 13.101 -7.275 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.720 -8.336 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.630 -9.783 -3.172 1.00 0.00 H new ATOM 0 HG LEU A 79 11.698 -8.179 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.013 -10.307 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.846 -9.743 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.974 -11.063 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.422 -9.728 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 79 13.543 -10.445 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.999 -8.745 -1.159 1.00 0.00 H new ATOM 1132 N VAL A 80 13.862 -9.359 -4.952 1.00 0.00 N ATOM 1133 CA VAL A 80 14.945 -10.149 -5.510 1.00 0.00 C ATOM 1134 C VAL A 80 16.191 -9.272 -5.650 1.00 0.00 C ATOM 1135 O VAL A 80 17.295 -9.698 -5.313 1.00 0.00 O ATOM 1136 CB VAL A 80 14.506 -10.778 -6.834 1.00 0.00 C ATOM 1137 CG1 VAL A 80 15.684 -11.454 -7.538 1.00 0.00 C ATOM 1138 CG2 VAL A 80 13.357 -11.765 -6.618 1.00 0.00 C ATOM 0 H VAL A 80 13.028 -9.305 -5.537 1.00 0.00 H new ATOM 0 HA VAL A 80 15.200 -10.972 -4.843 1.00 0.00 H new ATOM 0 HB VAL A 80 14.144 -9.978 -7.480 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.344 -11.893 -8.476 1.00 0.00 H new ATOM 0 HG12 VAL A 80 16.458 -10.715 -7.743 1.00 0.00 H new ATOM 0 HG13 VAL A 80 16.090 -12.237 -6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 80 13.064 -12.198 -7.575 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.681 -12.559 -5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 80 12.506 -11.243 -6.180 1.00 0.00 H new ATOM 1148 N ALA A 81 15.973 -8.064 -6.146 1.00 0.00 N ATOM 1149 CA ALA A 81 17.064 -7.123 -6.333 1.00 0.00 C ATOM 1150 C ALA A 81 17.753 -6.873 -4.990 1.00 0.00 C ATOM 1151 O ALA A 81 18.884 -6.392 -4.949 1.00 0.00 O ATOM 1152 CB ALA A 81 16.527 -5.836 -6.962 1.00 0.00 C ATOM 0 H ALA A 81 15.056 -7.714 -6.425 1.00 0.00 H new ATOM 0 HA ALA A 81 17.810 -7.532 -7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.346 -5.130 -7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.075 -6.064 -7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 81 15.777 -5.396 -6.305 1.00 0.00 H new ATOM 1158 N CYS A 82 17.042 -7.212 -3.925 1.00 0.00 N ATOM 1159 CA CYS A 82 17.571 -7.031 -2.584 1.00 0.00 C ATOM 1160 C CYS A 82 18.680 -8.061 -2.361 1.00 0.00 C ATOM 1161 O CYS A 82 19.851 -7.702 -2.243 1.00 0.00 O ATOM 1162 CB CYS A 82 16.473 -7.136 -1.524 1.00 0.00 C ATOM 1163 SG CYS A 82 16.838 -6.008 -0.130 1.00 0.00 S ATOM 0 H CYS A 82 16.104 -7.611 -3.963 1.00 0.00 H new ATOM 0 HA CYS A 82 17.985 -6.027 -2.486 1.00 0.00 H new ATOM 0 HB2 CYS A 82 15.507 -6.884 -1.963 1.00 0.00 H new ATOM 0 HB3 CYS A 82 16.402 -8.162 -1.163 1.00 0.00 H new ATOM 0 HG CYS A 82 16.979 -6.699 0.962 1.00 0.00 H new ATOM 1169 N ALA A 83 18.272 -9.320 -2.310 1.00 0.00 N ATOM 1170 CA ALA A 83 19.217 -10.405 -2.104 1.00 0.00 C ATOM 1171 C ALA A 83 20.345 -10.295 -3.131 1.00 0.00 C ATOM 1172 O ALA A 83 21.432 -10.833 -2.924 1.00 0.00 O ATOM 1173 CB ALA A 83 18.482 -11.745 -2.186 1.00 0.00 C ATOM 0 H ALA A 83 17.300 -9.614 -2.408 1.00 0.00 H new ATOM 0 HA ALA A 83 19.666 -10.340 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 83 19.191 -12.559 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.711 -11.785 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 83 18.020 -11.847 -3.168 1.00 0.00 H new ATOM 1179 N GLN A 84 20.049 -9.595 -4.216 1.00 0.00 N ATOM 1180 CA GLN A 84 21.025 -9.407 -5.275 1.00 0.00 C ATOM 1181 C GLN A 84 22.157 -8.494 -4.799 1.00 0.00 C ATOM 1182 O GLN A 84 23.208 -8.420 -5.434 1.00 0.00 O ATOM 1183 CB GLN A 84 20.365 -8.848 -6.537 1.00 0.00 C ATOM 1184 CG GLN A 84 19.430 -9.881 -7.170 1.00 0.00 C ATOM 1185 CD GLN A 84 19.965 -10.346 -8.526 1.00 0.00 C ATOM 1186 OE1 GLN A 84 20.167 -11.524 -8.772 1.00 0.00 O ATOM 1187 NE2 GLN A 84 20.181 -9.358 -9.390 1.00 0.00 N ATOM 0 H GLN A 84 19.146 -9.151 -4.384 1.00 0.00 H new ATOM 0 HA GLN A 84 21.450 -10.379 -5.526 1.00 0.00 H new ATOM 0 HB2 GLN A 84 19.803 -7.947 -6.290 1.00 0.00 H new ATOM 0 HB3 GLN A 84 21.132 -8.558 -7.255 1.00 0.00 H new ATOM 0 HG2 GLN A 84 19.324 -10.737 -6.504 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.437 -9.450 -7.295 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.991 -8.393 -9.119 1.00 0.00 H new ATOM 0 HE22 GLN A 84 20.537 -9.565 -10.323 1.00 0.00 H new ATOM 1196 N ASN A 85 21.904 -7.823 -3.685 1.00 0.00 N ATOM 1197 CA ASN A 85 22.888 -6.918 -3.117 1.00 0.00 C ATOM 1198 C ASN A 85 23.447 -7.524 -1.827 1.00 0.00 C ATOM 1199 O ASN A 85 24.362 -6.969 -1.222 1.00 0.00 O ATOM 1200 CB ASN A 85 22.260 -5.567 -2.770 1.00 0.00 C ATOM 1201 CG ASN A 85 23.313 -4.592 -2.239 1.00 0.00 C ATOM 1202 OD1 ASN A 85 23.324 -4.224 -1.076 1.00 0.00 O ATOM 1203 ND2 ASN A 85 24.194 -4.197 -3.153 1.00 0.00 N ATOM 0 H ASN A 85 21.032 -7.888 -3.161 1.00 0.00 H new ATOM 0 HA ASN A 85 23.675 -6.770 -3.856 1.00 0.00 H new ATOM 0 HB2 ASN A 85 21.783 -5.146 -3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 85 21.479 -5.706 -2.023 1.00 0.00 H new ATOM 0 HD21 ASN A 85 24.937 -3.547 -2.898 1.00 0.00 H new ATOM 0 HD22 ASN A 85 24.127 -4.544 -4.110 1.00 0.00 H new ATOM 1210 N GLY A 86 22.872 -8.655 -1.446 1.00 0.00 N ATOM 1211 CA GLY A 86 23.301 -9.343 -0.239 1.00 0.00 C ATOM 1212 C GLY A 86 22.530 -8.838 0.982 1.00 0.00 C ATOM 1213 O GLY A 86 22.878 -9.161 2.117 1.00 0.00 O ATOM 0 H GLY A 86 22.113 -9.112 -1.951 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.147 -10.416 -0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 86 24.369 -9.189 -0.088 1.00 0.00 H new ATOM 1217 N LEU A 87 21.497 -8.056 0.709 1.00 0.00 N ATOM 1218 CA LEU A 87 20.674 -7.504 1.771 1.00 0.00 C ATOM 1219 C LEU A 87 19.720 -8.584 2.285 1.00 0.00 C ATOM 1220 O LEU A 87 19.748 -9.719 1.810 1.00 0.00 O ATOM 1221 CB LEU A 87 19.965 -6.234 1.296 1.00 0.00 C ATOM 1222 CG LEU A 87 20.871 -5.046 0.961 1.00 0.00 C ATOM 1223 CD1 LEU A 87 20.124 -4.006 0.124 1.00 0.00 C ATOM 1224 CD2 LEU A 87 21.468 -4.437 2.232 1.00 0.00 C ATOM 0 H LEU A 87 21.211 -7.791 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 87 21.295 -7.199 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 87 19.378 -6.479 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.262 -5.923 2.069 1.00 0.00 H new ATOM 0 HG LEU A 87 21.702 -5.409 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 87 20.790 -3.173 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 87 19.787 -4.462 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 87 19.262 -3.641 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 87 22.107 -3.595 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 87 20.664 -4.091 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 87 22.058 -5.190 2.754 1.00 0.00 H new ATOM 1236 N GLU A 88 18.898 -8.194 3.248 1.00 0.00 N ATOM 1237 CA GLU A 88 17.937 -9.115 3.831 1.00 0.00 C ATOM 1238 C GLU A 88 16.992 -9.649 2.753 1.00 0.00 C ATOM 1239 O GLU A 88 16.897 -9.078 1.667 1.00 0.00 O ATOM 1240 CB GLU A 88 17.155 -8.447 4.964 1.00 0.00 C ATOM 1241 CG GLU A 88 17.049 -9.373 6.177 1.00 0.00 C ATOM 1242 CD GLU A 88 18.431 -9.859 6.618 1.00 0.00 C ATOM 1243 OE1 GLU A 88 18.806 -11.005 6.332 1.00 0.00 O ATOM 1244 OE2 GLU A 88 19.125 -8.997 7.282 1.00 0.00 O ATOM 0 H GLU A 88 18.878 -7.252 3.639 1.00 0.00 H new ATOM 0 HA GLU A 88 18.483 -9.957 4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.648 -7.519 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.157 -8.183 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.565 -8.847 7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.420 -10.229 5.932 1.00 0.00 H new ATOM 1252 N VAL A 89 16.316 -10.737 3.089 1.00 0.00 N ATOM 1253 CA VAL A 89 15.381 -11.354 2.164 1.00 0.00 C ATOM 1254 C VAL A 89 13.950 -11.049 2.611 1.00 0.00 C ATOM 1255 O VAL A 89 12.998 -11.305 1.875 1.00 0.00 O ATOM 1256 CB VAL A 89 15.666 -12.854 2.054 1.00 0.00 C ATOM 1257 CG1 VAL A 89 15.022 -13.444 0.798 1.00 0.00 C ATOM 1258 CG2 VAL A 89 17.171 -13.129 2.080 1.00 0.00 C ATOM 0 H VAL A 89 16.397 -11.208 3.990 1.00 0.00 H new ATOM 0 HA VAL A 89 15.504 -10.939 1.164 1.00 0.00 H new ATOM 0 HB VAL A 89 15.221 -13.344 2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.240 -14.511 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.943 -13.296 0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 89 15.424 -12.947 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 89 17.346 -14.202 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 89 17.648 -12.620 1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 89 17.592 -12.761 3.016 1.00 0.00 H new ATOM 1268 N SER A 90 13.844 -10.506 3.815 1.00 0.00 N ATOM 1269 CA SER A 90 12.545 -10.163 4.368 1.00 0.00 C ATOM 1270 C SER A 90 12.225 -8.695 4.081 1.00 0.00 C ATOM 1271 O SER A 90 13.105 -7.838 4.151 1.00 0.00 O ATOM 1272 CB SER A 90 12.500 -10.430 5.874 1.00 0.00 C ATOM 1273 OG SER A 90 12.949 -11.744 6.197 1.00 0.00 O ATOM 0 H SER A 90 14.636 -10.295 4.422 1.00 0.00 H new ATOM 0 HA SER A 90 11.794 -10.792 3.891 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.120 -9.698 6.391 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.481 -10.296 6.236 1.00 0.00 H new ATOM 0 HG SER A 90 12.907 -11.875 7.167 1.00 0.00 H new ATOM 1279 N LEU A 91 10.962 -8.449 3.762 1.00 0.00 N ATOM 1280 CA LEU A 91 10.515 -7.099 3.464 1.00 0.00 C ATOM 1281 C LEU A 91 10.892 -6.173 4.622 1.00 0.00 C ATOM 1282 O LEU A 91 11.047 -4.968 4.432 1.00 0.00 O ATOM 1283 CB LEU A 91 9.021 -7.091 3.131 1.00 0.00 C ATOM 1284 CG LEU A 91 8.663 -7.213 1.649 1.00 0.00 C ATOM 1285 CD1 LEU A 91 7.225 -7.704 1.471 1.00 0.00 C ATOM 1286 CD2 LEU A 91 8.914 -5.896 0.913 1.00 0.00 C ATOM 0 H LEU A 91 10.235 -9.162 3.704 1.00 0.00 H new ATOM 0 HA LEU A 91 11.019 -6.719 2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.545 -7.912 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 91 8.589 -6.166 3.514 1.00 0.00 H new ATOM 0 HG LEU A 91 9.317 -7.961 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.996 -7.782 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 91 7.114 -8.682 1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.539 -6.998 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.651 -6.011 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.303 -5.110 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.967 -5.628 0.996 1.00 0.00 H new ATOM 1298 N SER A 92 11.029 -6.772 5.796 1.00 0.00 N ATOM 1299 CA SER A 92 11.386 -6.016 6.984 1.00 0.00 C ATOM 1300 C SER A 92 12.668 -5.221 6.733 1.00 0.00 C ATOM 1301 O SER A 92 12.955 -4.259 7.445 1.00 0.00 O ATOM 1302 CB SER A 92 11.561 -6.939 8.192 1.00 0.00 C ATOM 1303 OG SER A 92 10.341 -7.578 8.557 1.00 0.00 O ATOM 0 H SER A 92 10.899 -7.772 5.950 1.00 0.00 H new ATOM 0 HA SER A 92 10.574 -5.323 7.205 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.312 -7.695 7.965 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.935 -6.362 9.038 1.00 0.00 H new ATOM 0 HG SER A 92 10.495 -8.160 9.331 1.00 0.00 H new ATOM 1309 N SER A 93 13.405 -5.651 5.720 1.00 0.00 N ATOM 1310 CA SER A 93 14.650 -4.991 5.367 1.00 0.00 C ATOM 1311 C SER A 93 14.578 -4.472 3.929 1.00 0.00 C ATOM 1312 O SER A 93 15.596 -4.387 3.244 1.00 0.00 O ATOM 1313 CB SER A 93 15.841 -5.938 5.530 1.00 0.00 C ATOM 1314 OG SER A 93 16.865 -5.372 6.343 1.00 0.00 O ATOM 0 H SER A 93 13.164 -6.449 5.132 1.00 0.00 H new ATOM 0 HA SER A 93 14.794 -4.149 6.044 1.00 0.00 H new ATOM 0 HB2 SER A 93 15.502 -6.874 5.973 1.00 0.00 H new ATOM 0 HB3 SER A 93 16.249 -6.180 4.549 1.00 0.00 H new ATOM 0 HG SER A 93 17.234 -6.063 6.932 1.00 0.00 H new ATOM 1320 N LEU A 94 13.364 -4.138 3.515 1.00 0.00 N ATOM 1321 CA LEU A 94 13.146 -3.630 2.171 1.00 0.00 C ATOM 1322 C LEU A 94 12.814 -2.138 2.243 1.00 0.00 C ATOM 1323 O LEU A 94 12.814 -1.550 3.323 1.00 0.00 O ATOM 1324 CB LEU A 94 12.084 -4.462 1.450 1.00 0.00 C ATOM 1325 CG LEU A 94 12.602 -5.644 0.628 1.00 0.00 C ATOM 1326 CD1 LEU A 94 13.447 -5.162 -0.553 1.00 0.00 C ATOM 1327 CD2 LEU A 94 13.364 -6.634 1.511 1.00 0.00 C ATOM 0 H LEU A 94 12.522 -4.209 4.086 1.00 0.00 H new ATOM 0 HA LEU A 94 14.053 -3.727 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.382 -4.841 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.522 -3.803 0.788 1.00 0.00 H new ATOM 0 HG LEU A 94 11.744 -6.175 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 94 13.803 -6.022 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 94 12.841 -4.526 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 94 14.300 -4.594 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 94 13.721 -7.464 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 94 14.214 -6.131 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 94 12.701 -7.013 2.288 1.00 0.00 H new ATOM 1339 N SER A 95 12.539 -1.569 1.078 1.00 0.00 N ATOM 1340 CA SER A 95 12.206 -0.157 0.995 1.00 0.00 C ATOM 1341 C SER A 95 13.468 0.689 1.177 1.00 0.00 C ATOM 1342 O SER A 95 13.407 1.792 1.720 1.00 0.00 O ATOM 1343 CB SER A 95 11.157 0.224 2.041 1.00 0.00 C ATOM 1344 OG SER A 95 11.751 0.621 3.274 1.00 0.00 O ATOM 0 H SER A 95 12.540 -2.060 0.184 1.00 0.00 H new ATOM 0 HA SER A 95 11.784 0.038 0.009 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.541 1.037 1.657 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.494 -0.623 2.215 1.00 0.00 H new ATOM 0 HG SER A 95 12.139 -0.162 3.718 1.00 0.00 H new ATOM 1350 N LEU A 96 14.581 0.142 0.712 1.00 0.00 N ATOM 1351 CA LEU A 96 15.855 0.833 0.816 1.00 0.00 C ATOM 1352 C LEU A 96 16.353 1.189 -0.586 1.00 0.00 C ATOM 1353 O LEU A 96 15.580 1.189 -1.542 1.00 0.00 O ATOM 1354 CB LEU A 96 16.850 0.003 1.630 1.00 0.00 C ATOM 1355 CG LEU A 96 16.242 -0.958 2.654 1.00 0.00 C ATOM 1356 CD1 LEU A 96 17.229 -2.070 3.015 1.00 0.00 C ATOM 1357 CD2 LEU A 96 15.752 -0.202 3.891 1.00 0.00 C ATOM 0 H LEU A 96 14.627 -0.772 0.262 1.00 0.00 H new ATOM 0 HA LEU A 96 15.737 1.770 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 96 17.463 -0.575 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 96 17.519 0.686 2.154 1.00 0.00 H new ATOM 0 HG LEU A 96 15.372 -1.434 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.772 -2.739 3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 96 17.487 -2.633 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 96 18.132 -1.631 3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.324 -0.908 4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.590 0.319 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.992 0.522 3.597 1.00 0.00 H new ATOM 1369 N ALA A 97 17.643 1.483 -0.664 1.00 0.00 N ATOM 1370 CA ALA A 97 18.253 1.840 -1.933 1.00 0.00 C ATOM 1371 C ALA A 97 18.880 0.594 -2.561 1.00 0.00 C ATOM 1372 O ALA A 97 20.091 0.542 -2.771 1.00 0.00 O ATOM 1373 CB ALA A 97 19.275 2.958 -1.712 1.00 0.00 C ATOM 0 H ALA A 97 18.282 1.481 0.131 1.00 0.00 H new ATOM 0 HA ALA A 97 17.502 2.217 -2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 97 19.733 3.226 -2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 97 18.775 3.830 -1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 97 20.046 2.615 -1.022 1.00 0.00 H new ATOM 1379 N VAL A 98 18.027 -0.380 -2.844 1.00 0.00 N ATOM 1380 CA VAL A 98 18.482 -1.623 -3.444 1.00 0.00 C ATOM 1381 C VAL A 98 18.892 -1.364 -4.895 1.00 0.00 C ATOM 1382 O VAL A 98 18.326 -0.497 -5.558 1.00 0.00 O ATOM 1383 CB VAL A 98 17.399 -2.695 -3.311 1.00 0.00 C ATOM 1384 CG1 VAL A 98 16.922 -2.817 -1.862 1.00 0.00 C ATOM 1385 CG2 VAL A 98 16.227 -2.410 -4.252 1.00 0.00 C ATOM 0 H VAL A 98 17.023 -0.333 -2.669 1.00 0.00 H new ATOM 0 HA VAL A 98 19.360 -2.001 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 98 17.837 -3.650 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 98 16.152 -3.586 -1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 98 17.763 -3.089 -1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 98 16.511 -1.863 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 98 15.471 -3.187 -4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.791 -1.441 -4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 98 16.582 -2.398 -5.282 1.00 0.00 H new ATOM 1395 N PRO A 99 19.900 -2.152 -5.357 1.00 0.00 N ATOM 1396 CA PRO A 99 20.392 -2.016 -6.717 1.00 0.00 C ATOM 1397 C PRO A 99 19.409 -2.625 -7.719 1.00 0.00 C ATOM 1398 O PRO A 99 18.417 -3.238 -7.327 1.00 0.00 O ATOM 1399 CB PRO A 99 21.745 -2.708 -6.717 1.00 0.00 C ATOM 1400 CG PRO A 99 21.754 -3.605 -5.489 1.00 0.00 C ATOM 1401 CD PRO A 99 20.594 -3.189 -4.599 1.00 0.00 C ATOM 0 HA PRO A 99 20.492 -0.976 -7.026 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.886 -3.291 -7.627 1.00 0.00 H new ATOM 0 HB3 PRO A 99 22.556 -1.981 -6.675 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.656 -4.651 -5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 99 22.699 -3.510 -4.954 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.936 -4.032 -4.386 1.00 0.00 H new ATOM 0 HD3 PRO A 99 20.947 -2.810 -3.640 1.00 0.00 H new ATOM 1409 N PRO A 100 19.728 -2.431 -9.027 1.00 0.00 N ATOM 1410 CA PRO A 100 18.884 -2.955 -10.088 1.00 0.00 C ATOM 1411 C PRO A 100 19.061 -4.467 -10.234 1.00 0.00 C ATOM 1412 O PRO A 100 20.167 -4.984 -10.083 1.00 0.00 O ATOM 1413 CB PRO A 100 19.296 -2.186 -11.333 1.00 0.00 C ATOM 1414 CG PRO A 100 20.664 -1.597 -11.026 1.00 0.00 C ATOM 1415 CD PRO A 100 20.895 -1.711 -9.528 1.00 0.00 C ATOM 0 HA PRO A 100 17.821 -2.821 -9.885 1.00 0.00 H new ATOM 0 HB2 PRO A 100 19.340 -2.843 -12.201 1.00 0.00 H new ATOM 0 HB3 PRO A 100 18.576 -1.401 -11.563 1.00 0.00 H new ATOM 0 HG2 PRO A 100 21.441 -2.130 -11.574 1.00 0.00 H new ATOM 0 HG3 PRO A 100 20.710 -0.555 -11.341 1.00 0.00 H new ATOM 0 HD2 PRO A 100 21.817 -2.250 -9.309 1.00 0.00 H new ATOM 0 HD3 PRO A 100 20.983 -0.728 -9.065 1.00 0.00 H new ATOM 1423 N PRO A 101 17.925 -5.153 -10.533 1.00 0.00 N ATOM 1424 CA PRO A 101 17.944 -6.596 -10.700 1.00 0.00 C ATOM 1425 C PRO A 101 18.572 -6.984 -12.040 1.00 0.00 C ATOM 1426 O PRO A 101 19.249 -6.174 -12.671 1.00 0.00 O ATOM 1427 CB PRO A 101 16.491 -7.025 -10.578 1.00 0.00 C ATOM 1428 CG PRO A 101 15.665 -5.771 -10.812 1.00 0.00 C ATOM 1429 CD PRO A 101 16.598 -4.574 -10.718 1.00 0.00 C ATOM 0 HA PRO A 101 18.558 -7.098 -9.952 1.00 0.00 H new ATOM 0 HB2 PRO A 101 16.248 -7.795 -11.311 1.00 0.00 H new ATOM 0 HB3 PRO A 101 16.290 -7.447 -9.593 1.00 0.00 H new ATOM 0 HG2 PRO A 101 15.187 -5.806 -11.791 1.00 0.00 H new ATOM 0 HG3 PRO A 101 14.869 -5.694 -10.071 1.00 0.00 H new ATOM 0 HD2 PRO A 101 16.554 -3.965 -11.621 1.00 0.00 H new ATOM 0 HD3 PRO A 101 16.329 -3.926 -9.884 1.00 0.00 H new ATOM 1437 N ARG A 102 18.325 -8.224 -12.436 1.00 0.00 N ATOM 1438 CA ARG A 102 18.858 -8.730 -13.690 1.00 0.00 C ATOM 1439 C ARG A 102 17.778 -8.704 -14.774 1.00 0.00 C ATOM 1440 O ARG A 102 18.082 -8.534 -15.954 1.00 0.00 O ATOM 1441 CB ARG A 102 19.377 -10.160 -13.531 1.00 0.00 C ATOM 1442 CG ARG A 102 20.675 -10.362 -14.316 1.00 0.00 C ATOM 1443 CD ARG A 102 21.448 -11.575 -13.795 1.00 0.00 C ATOM 1444 NE ARG A 102 22.892 -11.259 -13.716 1.00 0.00 N ATOM 1445 CZ ARG A 102 23.857 -12.178 -13.499 1.00 0.00 C ATOM 1446 NH1 ARG A 102 23.539 -13.480 -13.337 1.00 0.00 N ATOM 1447 NH2 ARG A 102 25.115 -11.784 -13.447 1.00 0.00 N ATOM 0 H ARG A 102 17.763 -8.894 -11.911 1.00 0.00 H new ATOM 0 HA ARG A 102 19.687 -8.086 -13.982 1.00 0.00 H new ATOM 0 HB2 ARG A 102 19.549 -10.373 -12.476 1.00 0.00 H new ATOM 0 HB3 ARG A 102 18.623 -10.865 -13.880 1.00 0.00 H new ATOM 0 HG2 ARG A 102 20.447 -10.498 -15.373 1.00 0.00 H new ATOM 0 HG3 ARG A 102 21.295 -9.469 -14.236 1.00 0.00 H new ATOM 0 HD2 ARG A 102 21.075 -11.859 -12.811 1.00 0.00 H new ATOM 0 HD3 ARG A 102 21.290 -12.428 -14.454 1.00 0.00 H new ATOM 0 HE ARG A 102 23.176 -10.286 -13.833 1.00 0.00 H new ATOM 0 HH11 ARG A 102 22.564 -13.776 -13.378 1.00 0.00 H new ATOM 0 HH12 ARG A 102 24.274 -14.168 -13.173 1.00 0.00 H new ATOM 0 HH21 ARG A 102 25.346 -10.798 -13.570 1.00 0.00 H new ATOM 0 HH22 ARG A 102 25.856 -12.465 -13.284 1.00 0.00 H new ATOM 1460 N PHE A 103 16.540 -8.876 -14.335 1.00 0.00 N ATOM 1461 CA PHE A 103 15.414 -8.875 -15.253 1.00 0.00 C ATOM 1462 C PHE A 103 15.598 -7.820 -16.346 1.00 0.00 C ATOM 1463 O PHE A 103 16.393 -6.894 -16.192 1.00 0.00 O ATOM 1464 CB PHE A 103 14.168 -8.531 -14.433 1.00 0.00 C ATOM 1465 CG PHE A 103 14.053 -9.309 -13.121 1.00 0.00 C ATOM 1466 CD1 PHE A 103 13.863 -10.656 -13.144 1.00 0.00 C ATOM 1467 CD2 PHE A 103 14.140 -8.654 -11.932 1.00 0.00 C ATOM 1468 CE1 PHE A 103 13.756 -11.378 -11.926 1.00 0.00 C ATOM 1469 CE2 PHE A 103 14.033 -9.377 -10.715 1.00 0.00 C ATOM 1470 CZ PHE A 103 13.843 -10.723 -10.737 1.00 0.00 C ATOM 0 H PHE A 103 16.292 -9.017 -13.356 1.00 0.00 H new ATOM 0 HA PHE A 103 15.327 -9.848 -15.736 1.00 0.00 H new ATOM 0 HB2 PHE A 103 14.175 -7.464 -14.211 1.00 0.00 H new ATOM 0 HB3 PHE A 103 13.282 -8.726 -15.038 1.00 0.00 H new ATOM 0 HD1 PHE A 103 13.794 -11.176 -14.088 1.00 0.00 H new ATOM 0 HD2 PHE A 103 14.290 -7.585 -11.914 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.606 -12.447 -11.944 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.103 -8.857 -9.771 1.00 0.00 H new ATOM 0 HZ PHE A 103 13.761 -11.272 -9.811 1.00 0.00 H new ATOM 1480 N HIS A 104 14.849 -7.994 -17.425 1.00 0.00 N ATOM 1481 CA HIS A 104 14.920 -7.069 -18.543 1.00 0.00 C ATOM 1482 C HIS A 104 14.399 -5.698 -18.107 1.00 0.00 C ATOM 1483 O HIS A 104 13.488 -5.608 -17.286 1.00 0.00 O ATOM 1484 CB HIS A 104 14.177 -7.627 -19.758 1.00 0.00 C ATOM 1485 CG HIS A 104 14.186 -9.134 -19.845 1.00 0.00 C ATOM 1486 ND1 HIS A 104 13.136 -9.918 -19.399 1.00 0.00 N ATOM 1487 CD2 HIS A 104 15.128 -9.993 -20.332 1.00 0.00 C ATOM 1488 CE1 HIS A 104 13.443 -11.189 -19.611 1.00 0.00 C ATOM 1489 NE2 HIS A 104 14.678 -11.233 -20.189 1.00 0.00 N ATOM 0 H HIS A 104 14.190 -8.762 -17.549 1.00 0.00 H new ATOM 0 HA HIS A 104 15.958 -6.944 -18.852 1.00 0.00 H new ATOM 0 HB2 HIS A 104 13.144 -7.281 -19.729 1.00 0.00 H new ATOM 0 HB3 HIS A 104 14.625 -7.218 -20.664 1.00 0.00 H new ATOM 0 HD2 HIS A 104 16.078 -9.711 -20.761 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.824 -12.041 -19.369 1.00 0.00 H new ATOM 0 HE2 HIS A 104 15.174 -12.080 -20.466 1.00 0.00 H new ATOM 1497 N ASP A 105 15.000 -4.664 -18.678 1.00 0.00 N ATOM 1498 CA ASP A 105 14.609 -3.301 -18.359 1.00 0.00 C ATOM 1499 C ASP A 105 15.290 -2.338 -19.333 1.00 0.00 C ATOM 1500 O ASP A 105 15.348 -1.135 -19.083 1.00 0.00 O ATOM 1501 CB ASP A 105 15.039 -2.922 -16.940 1.00 0.00 C ATOM 1502 CG ASP A 105 13.892 -2.578 -15.987 1.00 0.00 C ATOM 1503 OD1 ASP A 105 13.128 -1.631 -16.223 1.00 0.00 O ATOM 1504 OD2 ASP A 105 13.798 -3.340 -14.950 1.00 0.00 O ATOM 0 H ASP A 105 15.755 -4.743 -19.360 1.00 0.00 H new ATOM 0 HA ASP A 105 13.524 -3.235 -18.436 1.00 0.00 H new ATOM 0 HB2 ASP A 105 15.608 -3.749 -16.516 1.00 0.00 H new ATOM 0 HB3 ASP A 105 15.713 -2.067 -16.997 1.00 0.00 H new TER 1510 ASP A 105