USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 GLY N :NH3+ -129:sc= -0.533 (180deg=0) USER MOD Set 1.2: A 5 SER OG : rot -130:sc= -0.851 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0228 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.829 X(o=-0.83,f=-0.42) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 106:sc= 0.0813 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.026) USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.0854) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc=-0.00985 X(o=-0.0099,f=-0.068) USER MOD Single : A 52 THR OG1 : rot -170:sc= 0.00329 USER MOD Single : A 62 SER OG : rot -63:sc= -3.39! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0955 K(o=-0.096,f=-1.2) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 74 TYR OH : rot -30:sc= 0 USER MOD Single : A 77 CYS SG : rot -139:sc= -0.879 USER MOD Single : A 78 ASN : amide:sc= -0.343 X(o=-0.34,f=0) USER MOD Single : A 81 TYR OH : rot -29:sc= -0.169 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -44:sc= 0.959 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc=-0.00327 USER MOD Single : A 99 SER OG : rot 16:sc= 0.821 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.906 -34.790 -5.570 1.00 0.00 N ATOM 2 CA GLY A 1 -1.522 -36.097 -6.173 1.00 0.00 C ATOM 3 C GLY A 1 -1.413 -36.031 -7.684 1.00 0.00 C ATOM 4 O GLY A 1 -0.563 -35.320 -8.220 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.242 -34.551 -4.806 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.876 -34.049 -6.299 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.869 -34.856 -5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.567 -36.419 -5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.260 -36.851 -5.898 1.00 0.00 H new ATOM 10 N SER A 2 -2.275 -36.774 -8.371 1.00 0.00 N ATOM 11 CA SER A 2 -2.271 -36.798 -9.828 1.00 0.00 C ATOM 12 C SER A 2 -3.236 -35.758 -10.390 1.00 0.00 C ATOM 13 O SER A 2 -2.889 -35.000 -11.295 1.00 0.00 O ATOM 14 CB SER A 2 -2.648 -38.190 -10.338 1.00 0.00 C ATOM 15 OG SER A 2 -1.832 -39.187 -9.749 1.00 0.00 O ATOM 0 H SER A 2 -2.985 -37.367 -7.941 1.00 0.00 H new ATOM 0 HA SER A 2 -1.264 -36.556 -10.169 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.695 -38.392 -10.112 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.544 -38.224 -11.422 1.00 0.00 H new ATOM 0 HG SER A 2 -2.094 -40.068 -10.090 1.00 0.00 H new ATOM 21 N SER A 3 -4.450 -35.731 -9.849 1.00 0.00 N ATOM 22 CA SER A 3 -5.465 -34.785 -10.297 1.00 0.00 C ATOM 23 C SER A 3 -5.189 -33.389 -9.747 1.00 0.00 C ATOM 24 O SER A 3 -5.321 -32.394 -10.460 1.00 0.00 O ATOM 25 CB SER A 3 -6.855 -35.252 -9.860 1.00 0.00 C ATOM 26 OG SER A 3 -6.985 -35.219 -8.449 1.00 0.00 O ATOM 0 H SER A 3 -4.754 -36.353 -9.100 1.00 0.00 H new ATOM 0 HA SER A 3 -5.429 -34.740 -11.386 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.615 -34.615 -10.313 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.032 -36.265 -10.221 1.00 0.00 H new ATOM 0 HG SER A 3 -7.883 -35.520 -8.196 1.00 0.00 H new ATOM 32 N GLY A 4 -4.807 -33.324 -8.476 1.00 0.00 N ATOM 33 CA GLY A 4 -4.518 -32.045 -7.853 1.00 0.00 C ATOM 34 C GLY A 4 -4.883 -32.022 -6.382 1.00 0.00 C ATOM 35 O GLY A 4 -5.613 -32.890 -5.902 1.00 0.00 O ATOM 0 H GLY A 4 -4.692 -34.134 -7.866 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.457 -31.821 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.066 -31.259 -8.373 1.00 0.00 H new ATOM 39 N SER A 5 -4.374 -31.026 -5.664 1.00 0.00 N ATOM 40 CA SER A 5 -4.650 -30.892 -4.239 1.00 0.00 C ATOM 41 C SER A 5 -4.518 -29.439 -3.793 1.00 0.00 C ATOM 42 O SER A 5 -3.665 -28.703 -4.287 1.00 0.00 O ATOM 43 CB SER A 5 -3.698 -31.774 -3.429 1.00 0.00 C ATOM 44 OG SER A 5 -3.241 -32.873 -4.199 1.00 0.00 O ATOM 0 H SER A 5 -3.768 -30.300 -6.046 1.00 0.00 H new ATOM 0 HA SER A 5 -5.675 -31.216 -4.061 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.846 -31.182 -3.093 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.206 -32.138 -2.536 1.00 0.00 H new ATOM 0 HG SER A 5 -3.361 -33.702 -3.690 1.00 0.00 H new ATOM 50 N SER A 6 -5.369 -29.034 -2.856 1.00 0.00 N ATOM 51 CA SER A 6 -5.348 -27.669 -2.343 1.00 0.00 C ATOM 52 C SER A 6 -5.360 -27.660 -0.819 1.00 0.00 C ATOM 53 O SER A 6 -5.616 -28.683 -0.184 1.00 0.00 O ATOM 54 CB SER A 6 -6.546 -26.882 -2.879 1.00 0.00 C ATOM 55 OG SER A 6 -6.189 -25.542 -3.167 1.00 0.00 O ATOM 0 H SER A 6 -6.082 -29.631 -2.437 1.00 0.00 H new ATOM 0 HA SER A 6 -4.428 -27.194 -2.683 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.926 -27.362 -3.781 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.352 -26.897 -2.146 1.00 0.00 H new ATOM 0 HG SER A 6 -6.971 -25.061 -3.509 1.00 0.00 H new ATOM 61 N GLY A 7 -5.082 -26.499 -0.237 1.00 0.00 N ATOM 62 CA GLY A 7 -5.067 -26.378 1.209 1.00 0.00 C ATOM 63 C GLY A 7 -3.681 -26.572 1.794 1.00 0.00 C ATOM 64 O GLY A 7 -2.890 -25.632 1.856 1.00 0.00 O ATOM 0 H GLY A 7 -4.867 -25.639 -0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.443 -25.395 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.746 -27.115 1.639 1.00 0.00 H new ATOM 68 N GLN A 8 -3.388 -27.796 2.221 1.00 0.00 N ATOM 69 CA GLN A 8 -2.088 -28.110 2.803 1.00 0.00 C ATOM 70 C GLN A 8 -1.370 -29.180 1.987 1.00 0.00 C ATOM 71 O GLN A 8 -1.900 -29.677 0.993 1.00 0.00 O ATOM 72 CB GLN A 8 -2.256 -28.582 4.250 1.00 0.00 C ATOM 73 CG GLN A 8 -1.170 -28.074 5.185 1.00 0.00 C ATOM 74 CD GLN A 8 -0.248 -29.178 5.663 1.00 0.00 C ATOM 75 OE1 GLN A 8 -0.692 -30.159 6.261 1.00 0.00 O ATOM 76 NE2 GLN A 8 1.046 -29.023 5.403 1.00 0.00 N ATOM 0 H GLN A 8 -4.032 -28.586 2.175 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.483 -27.203 2.791 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.227 -28.252 4.621 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.261 -29.672 4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.583 -27.312 4.673 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.633 -27.594 6.047 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.370 -28.194 4.905 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.715 -29.733 5.702 1.00 0.00 H new ATOM 85 N ALA A 9 -0.159 -29.528 2.412 1.00 0.00 N ATOM 86 CA ALA A 9 0.632 -30.538 1.720 1.00 0.00 C ATOM 87 C ALA A 9 0.926 -30.117 0.284 1.00 0.00 C ATOM 88 O ALA A 9 0.274 -30.579 -0.653 1.00 0.00 O ATOM 89 CB ALA A 9 -0.087 -31.878 1.742 1.00 0.00 C ATOM 0 H ALA A 9 0.295 -29.125 3.232 1.00 0.00 H new ATOM 0 HA ALA A 9 1.583 -30.640 2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.515 -32.623 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.240 -32.192 2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.053 -31.781 1.246 1.00 0.00 H new ATOM 95 N LEU A 10 1.912 -29.238 0.120 1.00 0.00 N ATOM 96 CA LEU A 10 2.299 -28.749 -1.200 1.00 0.00 C ATOM 97 C LEU A 10 1.183 -27.919 -1.829 1.00 0.00 C ATOM 98 O LEU A 10 1.292 -26.697 -1.939 1.00 0.00 O ATOM 99 CB LEU A 10 2.667 -29.916 -2.121 1.00 0.00 C ATOM 100 CG LEU A 10 3.826 -30.787 -1.632 1.00 0.00 C ATOM 101 CD1 LEU A 10 3.381 -31.664 -0.471 1.00 0.00 C ATOM 102 CD2 LEU A 10 4.369 -31.638 -2.770 1.00 0.00 C ATOM 0 H LEU A 10 2.459 -28.849 0.888 1.00 0.00 H new ATOM 0 HA LEU A 10 3.173 -28.110 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.788 -30.547 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.921 -29.517 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 10 4.625 -30.134 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.218 -32.277 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.040 -31.034 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.565 -32.310 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.193 -32.251 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.578 -32.283 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.726 -30.990 -3.570 1.00 0.00 H new ATOM 114 N ALA A 11 0.110 -28.588 -2.239 1.00 0.00 N ATOM 115 CA ALA A 11 -1.024 -27.911 -2.856 1.00 0.00 C ATOM 116 C ALA A 11 -0.618 -27.244 -4.166 1.00 0.00 C ATOM 117 O ALA A 11 0.561 -27.211 -4.518 1.00 0.00 O ATOM 118 CB ALA A 11 -1.612 -26.885 -1.900 1.00 0.00 C ATOM 0 H ALA A 11 0.002 -29.599 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.784 -28.660 -3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.458 -26.388 -2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.948 -27.385 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.852 -26.146 -1.647 1.00 0.00 H new ATOM 124 N SER A 12 -1.602 -26.712 -4.884 1.00 0.00 N ATOM 125 CA SER A 12 -1.347 -26.047 -6.156 1.00 0.00 C ATOM 126 C SER A 12 -1.407 -24.529 -5.997 1.00 0.00 C ATOM 127 O SER A 12 -2.282 -23.869 -6.557 1.00 0.00 O ATOM 128 CB SER A 12 -2.361 -26.503 -7.207 1.00 0.00 C ATOM 129 OG SER A 12 -1.971 -27.734 -7.790 1.00 0.00 O ATOM 0 H SER A 12 -2.583 -26.729 -4.606 1.00 0.00 H new ATOM 0 HA SER A 12 -0.345 -26.321 -6.487 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.343 -26.610 -6.747 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.453 -25.743 -7.982 1.00 0.00 H new ATOM 0 HG SER A 12 -2.636 -28.005 -8.457 1.00 0.00 H new ATOM 135 N ASP A 13 -0.469 -23.984 -5.229 1.00 0.00 N ATOM 136 CA ASP A 13 -0.414 -22.546 -4.996 1.00 0.00 C ATOM 137 C ASP A 13 0.832 -22.171 -4.199 1.00 0.00 C ATOM 138 O ASP A 13 0.797 -21.273 -3.358 1.00 0.00 O ATOM 139 CB ASP A 13 -1.667 -22.079 -4.253 1.00 0.00 C ATOM 140 CG ASP A 13 -1.996 -20.626 -4.532 1.00 0.00 C ATOM 141 OD1 ASP A 13 -2.208 -20.281 -5.714 1.00 0.00 O ATOM 142 OD2 ASP A 13 -2.044 -19.832 -3.569 1.00 0.00 O ATOM 0 H ASP A 13 0.263 -24.516 -4.758 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.368 -22.049 -5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.512 -22.703 -4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.523 -22.217 -3.181 1.00 0.00 H new ATOM 147 N SER A 14 1.932 -22.866 -4.470 1.00 0.00 N ATOM 148 CA SER A 14 3.190 -22.607 -3.779 1.00 0.00 C ATOM 149 C SER A 14 4.157 -21.841 -4.677 1.00 0.00 C ATOM 150 O SER A 14 5.373 -21.999 -4.574 1.00 0.00 O ATOM 151 CB SER A 14 3.828 -23.922 -3.327 1.00 0.00 C ATOM 152 OG SER A 14 3.409 -24.269 -2.018 1.00 0.00 O ATOM 0 H SER A 14 1.978 -23.613 -5.163 1.00 0.00 H new ATOM 0 HA SER A 14 2.975 -21.996 -2.903 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.559 -24.718 -4.021 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.914 -23.831 -3.352 1.00 0.00 H new ATOM 0 HG SER A 14 2.768 -25.009 -2.065 1.00 0.00 H new ATOM 158 N GLU A 15 3.607 -21.011 -5.557 1.00 0.00 N ATOM 159 CA GLU A 15 4.420 -20.220 -6.473 1.00 0.00 C ATOM 160 C GLU A 15 4.785 -18.869 -5.862 1.00 0.00 C ATOM 161 O GLU A 15 5.735 -18.218 -6.296 1.00 0.00 O ATOM 162 CB GLU A 15 3.681 -20.012 -7.796 1.00 0.00 C ATOM 163 CG GLU A 15 2.393 -19.216 -7.654 1.00 0.00 C ATOM 164 CD GLU A 15 1.180 -20.103 -7.451 1.00 0.00 C ATOM 165 OE1 GLU A 15 0.895 -20.932 -8.340 1.00 0.00 O ATOM 166 OE2 GLU A 15 0.515 -19.967 -6.402 1.00 0.00 O ATOM 0 H GLU A 15 2.602 -20.869 -5.655 1.00 0.00 H new ATOM 0 HA GLU A 15 5.342 -20.770 -6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.341 -19.498 -8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.451 -20.985 -8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.484 -18.532 -6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.247 -18.605 -8.545 1.00 0.00 H new ATOM 173 N GLU A 16 4.023 -18.452 -4.856 1.00 0.00 N ATOM 174 CA GLU A 16 4.266 -17.178 -4.186 1.00 0.00 C ATOM 175 C GLU A 16 4.064 -16.012 -5.147 1.00 0.00 C ATOM 176 O GLU A 16 4.527 -16.045 -6.288 1.00 0.00 O ATOM 177 CB GLU A 16 5.684 -17.140 -3.611 1.00 0.00 C ATOM 178 CG GLU A 16 5.957 -15.919 -2.748 1.00 0.00 C ATOM 179 CD GLU A 16 7.092 -15.067 -3.283 1.00 0.00 C ATOM 180 OE1 GLU A 16 8.063 -15.641 -3.821 1.00 0.00 O ATOM 181 OE2 GLU A 16 7.011 -13.826 -3.164 1.00 0.00 O ATOM 0 H GLU A 16 3.231 -18.978 -4.486 1.00 0.00 H new ATOM 0 HA GLU A 16 3.549 -17.083 -3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.851 -18.039 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.401 -17.162 -4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.052 -15.314 -2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.196 -16.241 -1.735 1.00 0.00 H new ATOM 188 N ALA A 17 3.370 -14.980 -4.679 1.00 0.00 N ATOM 189 CA ALA A 17 3.106 -13.801 -5.496 1.00 0.00 C ATOM 190 C ALA A 17 3.308 -12.520 -4.693 1.00 0.00 C ATOM 191 O ALA A 17 2.860 -12.414 -3.552 1.00 0.00 O ATOM 192 CB ALA A 17 1.695 -13.856 -6.060 1.00 0.00 C ATOM 0 H ALA A 17 2.980 -14.936 -3.738 1.00 0.00 H new ATOM 0 HA ALA A 17 3.816 -13.796 -6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.511 -12.970 -6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.584 -14.748 -6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.977 -13.889 -5.241 1.00 0.00 H new ATOM 198 N ASP A 18 3.985 -11.551 -5.299 1.00 0.00 N ATOM 199 CA ASP A 18 4.246 -10.275 -4.641 1.00 0.00 C ATOM 200 C ASP A 18 5.059 -10.477 -3.366 1.00 0.00 C ATOM 201 O ASP A 18 4.522 -10.874 -2.332 1.00 0.00 O ATOM 202 CB ASP A 18 2.929 -9.567 -4.313 1.00 0.00 C ATOM 203 CG ASP A 18 2.080 -9.330 -5.546 1.00 0.00 C ATOM 204 OD1 ASP A 18 2.125 -10.169 -6.470 1.00 0.00 O ATOM 205 OD2 ASP A 18 1.369 -8.303 -5.588 1.00 0.00 O ATOM 0 H ASP A 18 4.363 -11.624 -6.244 1.00 0.00 H new ATOM 0 HA ASP A 18 4.824 -9.654 -5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.366 -10.165 -3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.142 -8.612 -3.833 1.00 0.00 H new ATOM 210 N GLU A 19 6.356 -10.199 -3.448 1.00 0.00 N ATOM 211 CA GLU A 19 7.243 -10.349 -2.300 1.00 0.00 C ATOM 212 C GLU A 19 6.961 -9.279 -1.250 1.00 0.00 C ATOM 213 O GLU A 19 7.532 -8.190 -1.291 1.00 0.00 O ATOM 214 CB GLU A 19 8.705 -10.271 -2.746 1.00 0.00 C ATOM 215 CG GLU A 19 9.133 -11.426 -3.633 1.00 0.00 C ATOM 216 CD GLU A 19 8.663 -11.267 -5.065 1.00 0.00 C ATOM 217 OE1 GLU A 19 9.374 -10.609 -5.854 1.00 0.00 O ATOM 218 OE2 GLU A 19 7.584 -11.799 -5.399 1.00 0.00 O ATOM 0 H GLU A 19 6.816 -9.869 -4.297 1.00 0.00 H new ATOM 0 HA GLU A 19 7.058 -11.326 -1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.863 -9.335 -3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.344 -10.245 -1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.220 -11.507 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.738 -12.357 -3.226 1.00 0.00 H new ATOM 225 N VAL A 20 6.076 -9.597 -0.311 1.00 0.00 N ATOM 226 CA VAL A 20 5.718 -8.665 0.750 1.00 0.00 C ATOM 227 C VAL A 20 6.897 -8.422 1.692 1.00 0.00 C ATOM 228 O VAL A 20 7.299 -9.318 2.434 1.00 0.00 O ATOM 229 CB VAL A 20 4.522 -9.182 1.572 1.00 0.00 C ATOM 230 CG1 VAL A 20 4.035 -8.114 2.539 1.00 0.00 C ATOM 231 CG2 VAL A 20 3.398 -9.633 0.651 1.00 0.00 C ATOM 0 H VAL A 20 5.593 -10.494 -0.264 1.00 0.00 H new ATOM 0 HA VAL A 20 5.442 -7.728 0.266 1.00 0.00 H new ATOM 0 HB VAL A 20 4.850 -10.042 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.190 -8.498 3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.842 -7.845 3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.724 -7.232 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.561 -9.995 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.070 -8.793 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.756 -10.435 0.005 1.00 0.00 H new ATOM 241 N PRO A 21 7.474 -7.205 1.674 1.00 0.00 N ATOM 242 CA PRO A 21 8.611 -6.861 2.534 1.00 0.00 C ATOM 243 C PRO A 21 8.220 -6.772 4.005 1.00 0.00 C ATOM 244 O PRO A 21 7.067 -7.011 4.367 1.00 0.00 O ATOM 245 CB PRO A 21 9.050 -5.490 2.015 1.00 0.00 C ATOM 246 CG PRO A 21 7.826 -4.911 1.396 1.00 0.00 C ATOM 247 CD PRO A 21 7.064 -6.073 0.822 1.00 0.00 C ATOM 0 HA PRO A 21 9.394 -7.618 2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.420 -4.860 2.824 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.856 -5.582 1.287 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.228 -4.380 2.136 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.084 -4.192 0.619 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.987 -5.908 0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.320 -6.244 -0.224 1.00 0.00 H new ATOM 255 N GLU A 22 9.186 -6.426 4.850 1.00 0.00 N ATOM 256 CA GLU A 22 8.942 -6.305 6.282 1.00 0.00 C ATOM 257 C GLU A 22 8.621 -4.862 6.658 1.00 0.00 C ATOM 258 O GLU A 22 7.831 -4.607 7.567 1.00 0.00 O ATOM 259 CB GLU A 22 10.158 -6.791 7.071 1.00 0.00 C ATOM 260 CG GLU A 22 10.377 -8.293 6.988 1.00 0.00 C ATOM 261 CD GLU A 22 9.472 -9.067 7.927 1.00 0.00 C ATOM 262 OE1 GLU A 22 9.177 -8.552 9.026 1.00 0.00 O ATOM 263 OE2 GLU A 22 9.058 -10.188 7.563 1.00 0.00 O ATOM 0 H GLU A 22 10.145 -6.225 4.567 1.00 0.00 H new ATOM 0 HA GLU A 22 8.083 -6.927 6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.048 -6.282 6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.039 -6.507 8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.203 -8.626 5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.417 -8.518 7.224 1.00 0.00 H new ATOM 270 N TRP A 23 9.241 -3.920 5.954 1.00 0.00 N ATOM 271 CA TRP A 23 9.020 -2.502 6.214 1.00 0.00 C ATOM 272 C TRP A 23 7.560 -2.126 5.986 1.00 0.00 C ATOM 273 O TRP A 23 7.020 -1.254 6.667 1.00 0.00 O ATOM 274 CB TRP A 23 9.924 -1.652 5.317 1.00 0.00 C ATOM 275 CG TRP A 23 9.737 -1.925 3.856 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.548 -2.674 3.052 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.673 -1.450 3.023 1.00 0.00 C ATOM 278 NE1 TRP A 23 10.052 -2.694 1.772 1.00 0.00 N ATOM 279 CE2 TRP A 23 8.902 -1.950 1.728 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.548 -0.651 3.249 1.00 0.00 C ATOM 281 CZ2 TRP A 23 8.048 -1.677 0.663 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.701 -0.380 2.189 1.00 0.00 C ATOM 283 CH2 TRP A 23 6.955 -0.893 0.911 1.00 0.00 C ATOM 0 H TRP A 23 9.900 -4.113 5.200 1.00 0.00 H new ATOM 0 HA TRP A 23 9.266 -2.307 7.258 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.727 -0.597 5.510 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.965 -1.836 5.583 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.447 -3.177 3.376 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.472 -3.183 0.982 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.344 -0.253 4.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.242 -2.070 -0.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.830 0.237 2.350 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.274 -0.665 0.105 1.00 0.00 H new ATOM 294 N LEU A 24 6.926 -2.790 5.025 1.00 0.00 N ATOM 295 CA LEU A 24 5.527 -2.526 4.709 1.00 0.00 C ATOM 296 C LEU A 24 4.638 -2.790 5.919 1.00 0.00 C ATOM 297 O LEU A 24 4.485 -3.932 6.351 1.00 0.00 O ATOM 298 CB LEU A 24 5.075 -3.392 3.531 1.00 0.00 C ATOM 299 CG LEU A 24 3.616 -3.203 3.111 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.380 -1.782 2.625 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.241 -4.207 2.031 1.00 0.00 C ATOM 0 H LEU A 24 7.359 -3.514 4.452 1.00 0.00 H new ATOM 0 HA LEU A 24 5.435 -1.475 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.714 -3.177 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.230 -4.440 3.789 1.00 0.00 H new ATOM 0 HG LEU A 24 2.981 -3.377 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.337 -1.667 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.611 -1.080 3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.023 -1.579 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.200 -4.060 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.882 -4.062 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.372 -5.219 2.414 1.00 0.00 H new ATOM 313 N ARG A 25 4.053 -1.727 6.463 1.00 0.00 N ATOM 314 CA ARG A 25 3.179 -1.848 7.624 1.00 0.00 C ATOM 315 C ARG A 25 2.340 -0.587 7.808 1.00 0.00 C ATOM 316 O ARG A 25 2.618 0.449 7.204 1.00 0.00 O ATOM 317 CB ARG A 25 4.006 -2.112 8.883 1.00 0.00 C ATOM 318 CG ARG A 25 4.933 -0.965 9.253 1.00 0.00 C ATOM 319 CD ARG A 25 4.481 -0.268 10.527 1.00 0.00 C ATOM 320 NE ARG A 25 4.791 1.159 10.510 1.00 0.00 N ATOM 321 CZ ARG A 25 4.539 1.986 11.523 1.00 0.00 C ATOM 322 NH1 ARG A 25 3.976 1.531 12.635 1.00 0.00 N ATOM 323 NH2 ARG A 25 4.852 3.270 11.423 1.00 0.00 N ATOM 0 H ARG A 25 4.168 -0.774 6.119 1.00 0.00 H new ATOM 0 HA ARG A 25 2.506 -2.688 7.456 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.331 -2.307 9.717 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.599 -3.015 8.736 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.947 -1.344 9.385 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.966 -0.245 8.436 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.407 -0.404 10.653 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.964 -0.734 11.386 1.00 0.00 H new ATOM 0 HE ARG A 25 5.226 1.545 9.672 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.734 0.544 12.717 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.785 2.169 13.408 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.286 3.624 10.570 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.659 3.904 12.199 1.00 0.00 H new ATOM 337 N GLU A 26 1.314 -0.683 8.647 1.00 0.00 N ATOM 338 CA GLU A 26 0.433 0.448 8.913 1.00 0.00 C ATOM 339 C GLU A 26 1.224 1.642 9.440 1.00 0.00 C ATOM 340 O GLU A 26 2.252 1.478 10.095 1.00 0.00 O ATOM 341 CB GLU A 26 -0.649 0.054 9.920 1.00 0.00 C ATOM 342 CG GLU A 26 -1.910 -0.496 9.274 1.00 0.00 C ATOM 343 CD GLU A 26 -2.514 -1.644 10.057 1.00 0.00 C ATOM 344 OE1 GLU A 26 -2.074 -2.795 9.859 1.00 0.00 O ATOM 345 OE2 GLU A 26 -3.427 -1.391 10.871 1.00 0.00 O ATOM 0 H GLU A 26 1.072 -1.534 9.155 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.041 0.735 7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.244 -0.694 10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.909 0.925 10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.645 0.303 9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.679 -0.833 8.263 1.00 0.00 H new ATOM 352 N GLY A 27 0.736 2.843 9.148 1.00 0.00 N ATOM 353 CA GLY A 27 1.409 4.047 9.599 1.00 0.00 C ATOM 354 C GLY A 27 2.753 4.254 8.925 1.00 0.00 C ATOM 355 O GLY A 27 3.587 5.014 9.414 1.00 0.00 O ATOM 0 H GLY A 27 -0.114 3.004 8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.772 4.910 9.403 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.552 3.996 10.678 1.00 0.00 H new ATOM 359 N GLU A 28 2.963 3.576 7.800 1.00 0.00 N ATOM 360 CA GLU A 28 4.215 3.693 7.061 1.00 0.00 C ATOM 361 C GLU A 28 3.997 4.413 5.734 1.00 0.00 C ATOM 362 O GLU A 28 3.100 4.064 4.966 1.00 0.00 O ATOM 363 CB GLU A 28 4.816 2.308 6.809 1.00 0.00 C ATOM 364 CG GLU A 28 6.335 2.302 6.777 1.00 0.00 C ATOM 365 CD GLU A 28 6.949 2.532 8.144 1.00 0.00 C ATOM 366 OE1 GLU A 28 6.807 3.652 8.678 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.573 1.593 8.680 1.00 0.00 O ATOM 0 H GLU A 28 2.283 2.941 7.381 1.00 0.00 H new ATOM 0 HA GLU A 28 4.910 4.278 7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.474 1.626 7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.439 1.924 5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.682 1.347 6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.683 3.075 6.092 1.00 0.00 H new ATOM 374 N PHE A 29 4.822 5.421 5.470 1.00 0.00 N ATOM 375 CA PHE A 29 4.719 6.191 4.236 1.00 0.00 C ATOM 376 C PHE A 29 5.184 5.366 3.040 1.00 0.00 C ATOM 377 O PHE A 29 6.226 4.713 3.091 1.00 0.00 O ATOM 378 CB PHE A 29 5.546 7.475 4.342 1.00 0.00 C ATOM 379 CG PHE A 29 4.721 8.697 4.627 1.00 0.00 C ATOM 380 CD1 PHE A 29 3.832 8.717 5.689 1.00 0.00 C ATOM 381 CD2 PHE A 29 4.835 9.826 3.831 1.00 0.00 C ATOM 382 CE1 PHE A 29 3.072 9.841 5.953 1.00 0.00 C ATOM 383 CE2 PHE A 29 4.078 10.953 4.090 1.00 0.00 C ATOM 384 CZ PHE A 29 3.194 10.959 5.152 1.00 0.00 C ATOM 0 H PHE A 29 5.570 5.724 6.094 1.00 0.00 H new ATOM 0 HA PHE A 29 3.672 6.454 4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.288 7.355 5.131 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.092 7.624 3.410 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.732 7.845 6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.523 9.825 2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.383 9.845 6.785 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.177 11.827 3.464 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.599 11.837 5.355 1.00 0.00 H new ATOM 394 N VAL A 30 4.405 5.404 1.964 1.00 0.00 N ATOM 395 CA VAL A 30 4.737 4.662 0.754 1.00 0.00 C ATOM 396 C VAL A 30 4.487 5.504 -0.492 1.00 0.00 C ATOM 397 O VAL A 30 4.051 6.652 -0.399 1.00 0.00 O ATOM 398 CB VAL A 30 3.922 3.359 0.652 1.00 0.00 C ATOM 399 CG1 VAL A 30 4.456 2.316 1.621 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.447 3.630 0.906 1.00 0.00 C ATOM 0 H VAL A 30 3.540 5.941 1.906 1.00 0.00 H new ATOM 0 HA VAL A 30 5.797 4.414 0.816 1.00 0.00 H new ATOM 0 HB VAL A 30 4.026 2.966 -0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.867 1.403 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.498 2.100 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.386 2.697 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.887 2.698 0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.321 4.048 1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.075 4.338 0.166 1.00 0.00 H new ATOM 410 N THR A 31 4.764 4.929 -1.657 1.00 0.00 N ATOM 411 CA THR A 31 4.568 5.630 -2.921 1.00 0.00 C ATOM 412 C THR A 31 4.165 4.660 -4.027 1.00 0.00 C ATOM 413 O THR A 31 4.482 3.471 -3.970 1.00 0.00 O ATOM 414 CB THR A 31 5.845 6.372 -3.319 1.00 0.00 C ATOM 415 OG1 THR A 31 5.635 7.137 -4.492 1.00 0.00 O ATOM 416 CG2 THR A 31 7.018 5.449 -3.576 1.00 0.00 C ATOM 0 H THR A 31 5.125 3.980 -1.753 1.00 0.00 H new ATOM 0 HA THR A 31 3.762 6.352 -2.785 1.00 0.00 H new ATOM 0 HB THR A 31 6.085 7.011 -2.469 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.462 7.605 -4.730 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.891 6.039 -3.854 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.237 4.879 -2.673 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.771 4.763 -4.386 1.00 0.00 H new ATOM 424 N VAL A 32 3.464 5.175 -5.032 1.00 0.00 N ATOM 425 CA VAL A 32 3.017 4.356 -6.152 1.00 0.00 C ATOM 426 C VAL A 32 3.571 4.886 -7.470 1.00 0.00 C ATOM 427 O VAL A 32 4.058 4.121 -8.302 1.00 0.00 O ATOM 428 CB VAL A 32 1.480 4.306 -6.237 1.00 0.00 C ATOM 429 CG1 VAL A 32 1.035 3.266 -7.254 1.00 0.00 C ATOM 430 CG2 VAL A 32 0.877 4.018 -4.871 1.00 0.00 C ATOM 0 H VAL A 32 3.193 6.157 -5.093 1.00 0.00 H new ATOM 0 HA VAL A 32 3.394 3.348 -5.978 1.00 0.00 H new ATOM 0 HB VAL A 32 1.122 5.281 -6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.054 3.245 -7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.435 3.522 -8.235 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.405 2.285 -6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.210 3.987 -4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.242 3.057 -4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.166 4.803 -4.173 1.00 0.00 H new ATOM 440 N GLY A 33 3.493 6.199 -7.654 1.00 0.00 N ATOM 441 CA GLY A 33 3.991 6.809 -8.873 1.00 0.00 C ATOM 442 C GLY A 33 2.879 7.198 -9.826 1.00 0.00 C ATOM 443 O GLY A 33 2.944 8.243 -10.474 1.00 0.00 O ATOM 0 H GLY A 33 3.094 6.853 -6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.574 7.695 -8.620 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.667 6.115 -9.373 1.00 0.00 H new ATOM 447 N ALA A 34 1.855 6.355 -9.916 1.00 0.00 N ATOM 448 CA ALA A 34 0.726 6.616 -10.802 1.00 0.00 C ATOM 449 C ALA A 34 -0.568 6.792 -10.014 1.00 0.00 C ATOM 450 O ALA A 34 -1.430 7.588 -10.388 1.00 0.00 O ATOM 451 CB ALA A 34 0.579 5.490 -11.814 1.00 0.00 C ATOM 0 H ALA A 34 1.784 5.486 -9.387 1.00 0.00 H new ATOM 0 HA ALA A 34 0.924 7.547 -11.333 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.267 5.698 -12.469 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.489 5.415 -12.410 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.410 4.549 -11.290 1.00 0.00 H new ATOM 457 N HIS A 35 -0.701 6.045 -8.923 1.00 0.00 N ATOM 458 CA HIS A 35 -1.894 6.119 -8.086 1.00 0.00 C ATOM 459 C HIS A 35 -1.673 7.052 -6.899 1.00 0.00 C ATOM 460 O HIS A 35 -2.128 6.777 -5.788 1.00 0.00 O ATOM 461 CB HIS A 35 -2.281 4.725 -7.590 1.00 0.00 C ATOM 462 CG HIS A 35 -3.152 3.970 -8.546 1.00 0.00 C ATOM 463 ND1 HIS A 35 -3.028 2.622 -8.797 1.00 0.00 N ATOM 464 CD2 HIS A 35 -4.179 4.402 -9.320 1.00 0.00 C ATOM 465 CE1 HIS A 35 -3.961 2.283 -9.696 1.00 0.00 C ATOM 466 NE2 HIS A 35 -4.686 3.328 -10.046 1.00 0.00 N ATOM 0 H HIS A 35 0.002 5.382 -8.597 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.706 6.521 -8.691 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.374 4.149 -7.405 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.799 4.819 -6.636 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.545 5.417 -9.366 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.101 1.285 -10.084 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.459 3.345 -10.711 1.00 0.00 H new ATOM 474 N LYS A 36 -0.975 8.157 -7.141 1.00 0.00 N ATOM 475 CA LYS A 36 -0.697 9.130 -6.090 1.00 0.00 C ATOM 476 C LYS A 36 0.043 8.480 -4.925 1.00 0.00 C ATOM 477 O LYS A 36 0.514 7.346 -5.030 1.00 0.00 O ATOM 478 CB LYS A 36 -2.001 9.763 -5.597 1.00 0.00 C ATOM 479 CG LYS A 36 -1.916 11.270 -5.421 1.00 0.00 C ATOM 480 CD LYS A 36 -3.169 11.966 -5.935 1.00 0.00 C ATOM 481 CE LYS A 36 -2.886 12.766 -7.197 1.00 0.00 C ATOM 482 NZ LYS A 36 -2.194 14.050 -6.896 1.00 0.00 N ATOM 0 H LYS A 36 -0.592 8.401 -8.054 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.059 9.908 -6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.797 9.532 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.279 9.309 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.775 11.506 -4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.044 11.650 -5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.941 11.224 -6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.561 12.629 -5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.271 12.172 -7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.823 12.971 -7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.709 14.391 -7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.892 14.757 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.497 13.900 -6.139 1.00 0.00 H new ATOM 496 N THR A 37 0.140 9.202 -3.814 1.00 0.00 N ATOM 497 CA THR A 37 0.821 8.694 -2.628 1.00 0.00 C ATOM 498 C THR A 37 -0.145 8.579 -1.453 1.00 0.00 C ATOM 499 O THR A 37 -1.241 9.138 -1.482 1.00 0.00 O ATOM 500 CB THR A 37 1.988 9.610 -2.254 1.00 0.00 C ATOM 501 OG1 THR A 37 1.606 10.971 -2.337 1.00 0.00 O ATOM 502 CG2 THR A 37 3.204 9.420 -3.137 1.00 0.00 C ATOM 0 H THR A 37 -0.244 10.141 -3.710 1.00 0.00 H new ATOM 0 HA THR A 37 1.206 7.700 -2.858 1.00 0.00 H new ATOM 0 HB THR A 37 2.253 9.337 -1.233 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.366 11.540 -2.092 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.995 10.099 -2.818 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.555 8.391 -3.056 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.938 9.633 -4.173 1.00 0.00 H new ATOM 510 N GLY A 38 0.269 7.850 -0.423 1.00 0.00 N ATOM 511 CA GLY A 38 -0.573 7.675 0.747 1.00 0.00 C ATOM 512 C GLY A 38 0.067 6.787 1.796 1.00 0.00 C ATOM 513 O GLY A 38 1.023 6.067 1.511 1.00 0.00 O ATOM 0 H GLY A 38 1.172 7.377 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.789 8.650 1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.527 7.243 0.443 1.00 0.00 H new ATOM 517 N VAL A 39 -0.461 6.841 3.014 1.00 0.00 N ATOM 518 CA VAL A 39 0.063 6.037 4.112 1.00 0.00 C ATOM 519 C VAL A 39 -0.635 4.682 4.182 1.00 0.00 C ATOM 520 O VAL A 39 -1.817 4.565 3.859 1.00 0.00 O ATOM 521 CB VAL A 39 -0.102 6.758 5.464 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.567 5.970 6.579 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.460 8.169 5.387 1.00 0.00 C ATOM 0 H VAL A 39 -1.252 7.434 3.266 1.00 0.00 H new ATOM 0 HA VAL A 39 1.125 5.886 3.916 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.166 6.826 5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.439 6.497 7.525 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.112 4.982 6.649 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.630 5.866 6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.335 8.663 6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.520 8.125 5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.072 8.731 4.619 1.00 0.00 H new ATOM 533 N VAL A 40 0.102 3.663 4.608 1.00 0.00 N ATOM 534 CA VAL A 40 -0.449 2.318 4.722 1.00 0.00 C ATOM 535 C VAL A 40 -1.405 2.219 5.906 1.00 0.00 C ATOM 536 O VAL A 40 -1.030 2.499 7.044 1.00 0.00 O ATOM 537 CB VAL A 40 0.664 1.264 4.885 1.00 0.00 C ATOM 538 CG1 VAL A 40 0.083 -0.140 4.834 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.731 1.445 3.816 1.00 0.00 C ATOM 0 H VAL A 40 1.082 3.742 4.880 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.992 2.118 3.798 1.00 0.00 H new ATOM 0 HB VAL A 40 1.130 1.404 5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.884 -0.870 4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.641 -0.264 5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.412 -0.295 3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.508 0.692 3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.280 1.334 2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.170 2.439 3.904 1.00 0.00 H new ATOM 549 N ARG A 41 -2.643 1.823 5.628 1.00 0.00 N ATOM 550 CA ARG A 41 -3.655 1.691 6.670 1.00 0.00 C ATOM 551 C ARG A 41 -4.024 0.227 6.897 1.00 0.00 C ATOM 552 O ARG A 41 -4.458 -0.151 7.985 1.00 0.00 O ATOM 553 CB ARG A 41 -4.903 2.493 6.299 1.00 0.00 C ATOM 554 CG ARG A 41 -4.680 3.995 6.296 1.00 0.00 C ATOM 555 CD ARG A 41 -4.832 4.585 7.688 1.00 0.00 C ATOM 556 NE ARG A 41 -4.113 5.849 7.831 1.00 0.00 N ATOM 557 CZ ARG A 41 -2.805 5.937 8.067 1.00 0.00 C ATOM 558 NH1 ARG A 41 -2.069 4.838 8.186 1.00 0.00 N ATOM 559 NH2 ARG A 41 -2.232 7.126 8.184 1.00 0.00 N ATOM 0 H ARG A 41 -2.969 1.588 4.691 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.238 2.085 7.597 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.244 2.183 5.311 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.701 2.254 7.002 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.683 4.215 5.914 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.392 4.468 5.620 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.889 4.744 7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.462 3.873 8.426 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.644 6.715 7.745 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.505 3.920 8.097 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.068 4.912 8.367 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.792 7.973 8.093 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.230 7.194 8.365 1.00 0.00 H new ATOM 573 N TYR A 42 -3.849 -0.594 5.865 1.00 0.00 N ATOM 574 CA TYR A 42 -4.166 -2.014 5.960 1.00 0.00 C ATOM 575 C TYR A 42 -3.122 -2.856 5.233 1.00 0.00 C ATOM 576 O TYR A 42 -2.511 -2.404 4.265 1.00 0.00 O ATOM 577 CB TYR A 42 -5.554 -2.289 5.378 1.00 0.00 C ATOM 578 CG TYR A 42 -6.180 -3.568 5.883 1.00 0.00 C ATOM 579 CD1 TYR A 42 -6.741 -3.636 7.152 1.00 0.00 C ATOM 580 CD2 TYR A 42 -6.209 -4.710 5.091 1.00 0.00 C ATOM 581 CE1 TYR A 42 -7.315 -4.805 7.617 1.00 0.00 C ATOM 582 CE2 TYR A 42 -6.782 -5.881 5.549 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.332 -5.924 6.812 1.00 0.00 C ATOM 584 OH TYR A 42 -7.903 -7.089 7.270 1.00 0.00 O ATOM 0 H TYR A 42 -3.490 -0.301 4.956 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.160 -2.291 7.014 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.211 -1.453 5.618 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.480 -2.335 4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.729 -2.762 7.786 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.777 -4.682 4.102 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.748 -4.841 8.606 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.799 -6.759 4.920 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.833 -7.781 6.580 1.00 0.00 H new ATOM 594 N VAL A 43 -2.924 -4.081 5.706 1.00 0.00 N ATOM 595 CA VAL A 43 -1.954 -4.988 5.102 1.00 0.00 C ATOM 596 C VAL A 43 -2.404 -6.439 5.232 1.00 0.00 C ATOM 597 O VAL A 43 -2.253 -7.053 6.288 1.00 0.00 O ATOM 598 CB VAL A 43 -0.563 -4.834 5.745 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.472 -5.641 4.977 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.165 -3.367 5.812 1.00 0.00 C ATOM 0 H VAL A 43 -3.422 -4.470 6.507 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.889 -4.723 4.047 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.608 -5.220 6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.449 -5.520 5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.193 -6.695 4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.518 -5.288 3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.820 -3.278 6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.137 -2.951 4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.893 -2.819 6.410 1.00 0.00 H new ATOM 610 N GLY A 44 -2.957 -6.981 4.153 1.00 0.00 N ATOM 611 CA GLY A 44 -3.420 -8.356 4.167 1.00 0.00 C ATOM 612 C GLY A 44 -4.281 -8.691 2.962 1.00 0.00 C ATOM 613 O GLY A 44 -4.505 -7.840 2.102 1.00 0.00 O ATOM 0 H GLY A 44 -3.093 -6.492 3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.560 -9.025 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.991 -8.535 5.078 1.00 0.00 H new ATOM 617 N PRO A 45 -4.782 -9.935 2.873 1.00 0.00 N ATOM 618 CA PRO A 45 -5.626 -10.369 1.755 1.00 0.00 C ATOM 619 C PRO A 45 -7.005 -9.716 1.783 1.00 0.00 C ATOM 620 O PRO A 45 -7.239 -8.770 2.534 1.00 0.00 O ATOM 621 CB PRO A 45 -5.745 -11.879 1.962 1.00 0.00 C ATOM 622 CG PRO A 45 -5.541 -12.077 3.425 1.00 0.00 C ATOM 623 CD PRO A 45 -4.566 -11.016 3.854 1.00 0.00 C ATOM 0 HA PRO A 45 -5.199 -10.091 0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.721 -12.247 1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.997 -12.419 1.381 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.482 -11.984 3.966 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.151 -13.073 3.633 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.761 -10.679 4.872 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.539 -11.381 3.830 1.00 0.00 H new ATOM 631 N ALA A 46 -7.913 -10.230 0.960 1.00 0.00 N ATOM 632 CA ALA A 46 -9.268 -9.699 0.891 1.00 0.00 C ATOM 633 C ALA A 46 -10.302 -10.811 1.038 1.00 0.00 C ATOM 634 O ALA A 46 -9.953 -11.970 1.265 1.00 0.00 O ATOM 635 CB ALA A 46 -9.476 -8.953 -0.418 1.00 0.00 C ATOM 0 H ALA A 46 -7.734 -11.014 0.332 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.401 -9.003 1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.493 -8.562 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.767 -8.128 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.318 -9.634 -1.254 1.00 0.00 H new ATOM 641 N ASP A 47 -11.574 -10.451 0.907 1.00 0.00 N ATOM 642 CA ASP A 47 -12.658 -11.419 1.025 1.00 0.00 C ATOM 643 C ASP A 47 -13.333 -11.647 -0.323 1.00 0.00 C ATOM 644 O ASP A 47 -14.532 -11.919 -0.391 1.00 0.00 O ATOM 645 CB ASP A 47 -13.689 -10.941 2.051 1.00 0.00 C ATOM 646 CG ASP A 47 -14.253 -12.079 2.878 1.00 0.00 C ATOM 647 OD1 ASP A 47 -14.509 -13.159 2.305 1.00 0.00 O ATOM 648 OD2 ASP A 47 -14.437 -11.892 4.099 1.00 0.00 O ATOM 0 H ASP A 47 -11.880 -9.496 0.719 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.232 -12.364 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.226 -10.209 2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.503 -10.433 1.534 1.00 0.00 H new ATOM 653 N PHE A 48 -12.556 -11.534 -1.395 1.00 0.00 N ATOM 654 CA PHE A 48 -13.078 -11.729 -2.742 1.00 0.00 C ATOM 655 C PHE A 48 -11.951 -12.034 -3.724 1.00 0.00 C ATOM 656 O PHE A 48 -12.053 -12.955 -4.534 1.00 0.00 O ATOM 657 CB PHE A 48 -13.844 -10.485 -3.200 1.00 0.00 C ATOM 658 CG PHE A 48 -13.069 -9.210 -3.040 1.00 0.00 C ATOM 659 CD1 PHE A 48 -13.067 -8.531 -1.832 1.00 0.00 C ATOM 660 CD2 PHE A 48 -12.341 -8.688 -4.098 1.00 0.00 C ATOM 661 CE1 PHE A 48 -12.354 -7.357 -1.682 1.00 0.00 C ATOM 662 CE2 PHE A 48 -11.626 -7.514 -3.954 1.00 0.00 C ATOM 663 CZ PHE A 48 -11.633 -6.848 -2.744 1.00 0.00 C ATOM 0 H PHE A 48 -11.562 -11.308 -1.357 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.758 -12.580 -2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -14.120 -10.604 -4.248 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.772 -10.410 -2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -13.629 -8.924 -0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -12.332 -9.205 -5.046 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.361 -6.838 -0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.063 -7.118 -4.786 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.075 -5.930 -2.629 1.00 0.00 H new ATOM 673 N GLN A 49 -10.877 -11.256 -3.644 1.00 0.00 N ATOM 674 CA GLN A 49 -9.730 -11.444 -4.525 1.00 0.00 C ATOM 675 C GLN A 49 -8.664 -12.304 -3.855 1.00 0.00 C ATOM 676 O GLN A 49 -8.823 -12.728 -2.710 1.00 0.00 O ATOM 677 CB GLN A 49 -9.137 -10.091 -4.920 1.00 0.00 C ATOM 678 CG GLN A 49 -9.708 -9.530 -6.213 1.00 0.00 C ATOM 679 CD GLN A 49 -9.135 -10.206 -7.443 1.00 0.00 C ATOM 680 OE1 GLN A 49 -7.992 -9.957 -7.827 1.00 0.00 O ATOM 681 NE2 GLN A 49 -9.928 -11.068 -8.069 1.00 0.00 N ATOM 0 H GLN A 49 -10.777 -10.490 -2.978 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.074 -11.958 -5.423 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.313 -9.378 -4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.057 -10.194 -5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.792 -9.648 -6.209 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.504 -8.460 -6.262 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.869 -11.245 -7.716 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.596 -11.553 -8.903 1.00 0.00 H new ATOM 690 N GLU A 50 -7.577 -12.559 -4.576 1.00 0.00 N ATOM 691 CA GLU A 50 -6.484 -13.370 -4.052 1.00 0.00 C ATOM 692 C GLU A 50 -5.222 -12.533 -3.874 1.00 0.00 C ATOM 693 O GLU A 50 -5.200 -11.346 -4.204 1.00 0.00 O ATOM 694 CB GLU A 50 -6.202 -14.548 -4.986 1.00 0.00 C ATOM 695 CG GLU A 50 -7.189 -15.693 -4.836 1.00 0.00 C ATOM 696 CD GLU A 50 -6.591 -16.889 -4.120 1.00 0.00 C ATOM 697 OE1 GLU A 50 -6.295 -16.770 -2.912 1.00 0.00 O ATOM 698 OE2 GLU A 50 -6.418 -17.943 -4.766 1.00 0.00 O ATOM 0 H GLU A 50 -7.430 -12.216 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.784 -13.753 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.221 -14.196 -6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.195 -14.920 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.063 -15.345 -4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.535 -16.001 -5.823 1.00 0.00 H new ATOM 705 N GLY A 51 -4.172 -13.157 -3.351 1.00 0.00 N ATOM 706 CA GLY A 51 -2.921 -12.454 -3.139 1.00 0.00 C ATOM 707 C GLY A 51 -2.984 -11.499 -1.963 1.00 0.00 C ATOM 708 O GLY A 51 -4.048 -11.286 -1.384 1.00 0.00 O ATOM 0 H GLY A 51 -4.165 -14.138 -3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.124 -13.179 -2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.663 -11.899 -4.041 1.00 0.00 H new ATOM 712 N THR A 52 -1.839 -10.924 -1.608 1.00 0.00 N ATOM 713 CA THR A 52 -1.767 -9.986 -0.494 1.00 0.00 C ATOM 714 C THR A 52 -2.076 -8.566 -0.957 1.00 0.00 C ATOM 715 O THR A 52 -1.572 -8.116 -1.986 1.00 0.00 O ATOM 716 CB THR A 52 -0.383 -10.036 0.152 1.00 0.00 C ATOM 717 OG1 THR A 52 0.241 -11.284 -0.092 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.413 -9.823 1.651 1.00 0.00 C ATOM 0 H THR A 52 -0.948 -11.092 -2.076 1.00 0.00 H new ATOM 0 HA THR A 52 -2.515 -10.278 0.244 1.00 0.00 H new ATOM 0 HB THR A 52 0.177 -9.219 -0.304 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.050 -11.358 0.456 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.602 -9.871 2.046 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.842 -8.846 1.871 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.020 -10.599 2.117 1.00 0.00 H new ATOM 726 N TRP A 53 -2.905 -7.866 -0.190 1.00 0.00 N ATOM 727 CA TRP A 53 -3.281 -6.496 -0.523 1.00 0.00 C ATOM 728 C TRP A 53 -2.746 -5.518 0.518 1.00 0.00 C ATOM 729 O TRP A 53 -2.470 -5.897 1.656 1.00 0.00 O ATOM 730 CB TRP A 53 -4.802 -6.373 -0.623 1.00 0.00 C ATOM 731 CG TRP A 53 -5.380 -7.094 -1.803 1.00 0.00 C ATOM 732 CD1 TRP A 53 -5.833 -8.381 -1.835 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.565 -6.569 -3.123 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.289 -8.688 -3.095 1.00 0.00 N ATOM 735 CE2 TRP A 53 -6.135 -7.593 -3.902 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.304 -5.332 -3.719 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.448 -7.417 -5.248 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -5.616 -5.159 -5.055 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.183 -6.196 -5.806 1.00 0.00 C ATOM 0 H TRP A 53 -3.329 -8.224 0.666 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.840 -6.248 -1.488 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.252 -6.765 0.289 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.071 -5.318 -0.683 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.833 -9.059 -0.994 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.679 -9.586 -3.382 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.867 -4.527 -3.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.884 -8.215 -5.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.419 -4.208 -5.527 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.416 -6.029 -6.847 1.00 0.00 H new ATOM 750 N VAL A 54 -2.604 -4.257 0.121 1.00 0.00 N ATOM 751 CA VAL A 54 -2.103 -3.225 1.020 1.00 0.00 C ATOM 752 C VAL A 54 -2.899 -1.933 0.871 1.00 0.00 C ATOM 753 O VAL A 54 -2.856 -1.282 -0.174 1.00 0.00 O ATOM 754 CB VAL A 54 -0.613 -2.929 0.762 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.058 -2.001 1.831 1.00 0.00 C ATOM 756 CG2 VAL A 54 0.185 -4.223 0.699 1.00 0.00 C ATOM 0 H VAL A 54 -2.829 -3.926 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.219 -3.606 2.035 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.523 -2.427 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.995 -1.804 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.611 -1.062 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.160 -2.471 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.235 -3.994 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.089 -4.756 1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.197 -4.847 -0.109 1.00 0.00 H new ATOM 766 N GLY A 55 -3.624 -1.565 1.923 1.00 0.00 N ATOM 767 CA GLY A 55 -4.420 -0.352 1.888 1.00 0.00 C ATOM 768 C GLY A 55 -3.572 0.901 1.988 1.00 0.00 C ATOM 769 O GLY A 55 -2.626 0.958 2.774 1.00 0.00 O ATOM 0 H GLY A 55 -3.674 -2.085 2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.995 -0.325 0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.137 -0.368 2.709 1.00 0.00 H new ATOM 773 N VAL A 56 -3.910 1.906 1.188 1.00 0.00 N ATOM 774 CA VAL A 56 -3.173 3.164 1.189 1.00 0.00 C ATOM 775 C VAL A 56 -4.113 4.351 1.375 1.00 0.00 C ATOM 776 O VAL A 56 -5.180 4.413 0.765 1.00 0.00 O ATOM 777 CB VAL A 56 -2.380 3.352 -0.119 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.468 4.566 -0.022 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.581 2.098 -0.442 1.00 0.00 C ATOM 0 H VAL A 56 -4.689 1.874 0.531 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.475 3.121 2.025 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.087 3.524 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.916 4.682 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.068 5.458 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.766 4.429 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.027 2.248 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.882 1.893 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.260 1.254 -0.558 1.00 0.00 H new ATOM 789 N GLU A 57 -3.709 5.292 2.222 1.00 0.00 N ATOM 790 CA GLU A 57 -4.514 6.477 2.489 1.00 0.00 C ATOM 791 C GLU A 57 -4.066 7.648 1.618 1.00 0.00 C ATOM 792 O GLU A 57 -3.046 8.281 1.889 1.00 0.00 O ATOM 793 CB GLU A 57 -4.420 6.861 3.967 1.00 0.00 C ATOM 794 CG GLU A 57 -5.234 8.093 4.332 1.00 0.00 C ATOM 795 CD GLU A 57 -4.474 9.051 5.229 1.00 0.00 C ATOM 796 OE1 GLU A 57 -3.810 8.577 6.176 1.00 0.00 O ATOM 797 OE2 GLU A 57 -4.542 10.273 4.984 1.00 0.00 O ATOM 0 H GLU A 57 -2.828 5.256 2.735 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.551 6.243 2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.757 6.021 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.375 7.038 4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.529 8.612 3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.151 7.783 4.833 1.00 0.00 H new ATOM 804 N LEU A 58 -4.836 7.930 0.572 1.00 0.00 N ATOM 805 CA LEU A 58 -4.518 9.024 -0.337 1.00 0.00 C ATOM 806 C LEU A 58 -4.947 10.363 0.254 1.00 0.00 C ATOM 807 O LEU A 58 -6.105 10.544 0.631 1.00 0.00 O ATOM 808 CB LEU A 58 -5.204 8.808 -1.689 1.00 0.00 C ATOM 809 CG LEU A 58 -4.805 7.525 -2.420 1.00 0.00 C ATOM 810 CD1 LEU A 58 -5.697 7.303 -3.633 1.00 0.00 C ATOM 811 CD2 LEU A 58 -3.342 7.582 -2.836 1.00 0.00 C ATOM 0 H LEU A 58 -5.684 7.416 0.333 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.438 9.040 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.283 8.799 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.981 9.659 -2.332 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.936 6.685 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.399 6.386 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.735 7.218 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.597 8.146 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.075 6.661 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.186 8.431 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.716 7.694 -1.951 1.00 0.00 H new ATOM 823 N ASP A 59 -4.006 11.298 0.331 1.00 0.00 N ATOM 824 CA ASP A 59 -4.287 12.621 0.876 1.00 0.00 C ATOM 825 C ASP A 59 -5.228 13.400 -0.039 1.00 0.00 C ATOM 826 O ASP A 59 -5.997 14.244 0.419 1.00 0.00 O ATOM 827 CB ASP A 59 -2.986 13.401 1.074 1.00 0.00 C ATOM 828 CG ASP A 59 -2.395 13.199 2.454 1.00 0.00 C ATOM 829 OD1 ASP A 59 -1.775 12.138 2.685 1.00 0.00 O ATOM 830 OD2 ASP A 59 -2.552 14.099 3.305 1.00 0.00 O ATOM 0 H ASP A 59 -3.043 11.164 0.023 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.775 12.492 1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.261 13.089 0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.174 14.463 0.914 1.00 0.00 H new ATOM 835 N LEU A 60 -5.161 13.111 -1.335 1.00 0.00 N ATOM 836 CA LEU A 60 -6.007 13.784 -2.313 1.00 0.00 C ATOM 837 C LEU A 60 -7.016 12.811 -2.920 1.00 0.00 C ATOM 838 O LEU A 60 -6.712 11.635 -3.121 1.00 0.00 O ATOM 839 CB LEU A 60 -5.151 14.402 -3.420 1.00 0.00 C ATOM 840 CG LEU A 60 -4.442 15.703 -3.041 1.00 0.00 C ATOM 841 CD1 LEU A 60 -3.260 15.956 -3.964 1.00 0.00 C ATOM 842 CD2 LEU A 60 -5.416 16.871 -3.086 1.00 0.00 C ATOM 0 H LEU A 60 -4.529 12.415 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.553 14.576 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.401 13.674 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.785 14.591 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.066 15.607 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.768 16.886 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.552 15.131 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.612 16.032 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.896 17.789 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.821 16.968 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.230 16.693 -2.383 1.00 0.00 H new ATOM 854 N PRO A 61 -8.236 13.289 -3.224 1.00 0.00 N ATOM 855 CA PRO A 61 -9.287 12.451 -3.812 1.00 0.00 C ATOM 856 C PRO A 61 -8.829 11.763 -5.093 1.00 0.00 C ATOM 857 O PRO A 61 -8.813 12.369 -6.165 1.00 0.00 O ATOM 858 CB PRO A 61 -10.414 13.443 -4.115 1.00 0.00 C ATOM 859 CG PRO A 61 -10.177 14.586 -3.189 1.00 0.00 C ATOM 860 CD PRO A 61 -8.687 14.679 -3.020 1.00 0.00 C ATOM 0 HA PRO A 61 -9.582 11.644 -3.142 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.387 13.766 -5.156 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.392 12.993 -3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.582 15.511 -3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.669 14.420 -2.231 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.241 15.358 -3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.416 15.049 -2.031 1.00 0.00 H new ATOM 868 N SER A 62 -8.456 10.493 -4.976 1.00 0.00 N ATOM 869 CA SER A 62 -7.997 9.722 -6.126 1.00 0.00 C ATOM 870 C SER A 62 -8.113 8.224 -5.860 1.00 0.00 C ATOM 871 O SER A 62 -7.237 7.446 -6.239 1.00 0.00 O ATOM 872 CB SER A 62 -6.549 10.083 -6.464 1.00 0.00 C ATOM 873 OG SER A 62 -5.676 9.733 -5.404 1.00 0.00 O ATOM 0 H SER A 62 -8.462 9.976 -4.097 1.00 0.00 H new ATOM 0 HA SER A 62 -8.633 9.971 -6.975 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.245 9.567 -7.375 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.474 11.152 -6.663 1.00 0.00 H new ATOM 0 HG SER A 62 -5.904 10.255 -4.607 1.00 0.00 H new ATOM 879 N GLY A 63 -9.201 7.827 -5.207 1.00 0.00 N ATOM 880 CA GLY A 63 -9.411 6.424 -4.902 1.00 0.00 C ATOM 881 C GLY A 63 -10.647 5.863 -5.577 1.00 0.00 C ATOM 882 O GLY A 63 -11.346 6.575 -6.297 1.00 0.00 O ATOM 0 H GLY A 63 -9.940 8.451 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.538 5.852 -5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.502 6.299 -3.823 1.00 0.00 H new ATOM 886 N LYS A 64 -10.917 4.582 -5.345 1.00 0.00 N ATOM 887 CA LYS A 64 -12.078 3.926 -5.936 1.00 0.00 C ATOM 888 C LYS A 64 -12.861 3.153 -4.881 1.00 0.00 C ATOM 889 O LYS A 64 -14.087 3.245 -4.811 1.00 0.00 O ATOM 890 CB LYS A 64 -11.640 2.981 -7.057 1.00 0.00 C ATOM 891 CG LYS A 64 -10.861 3.671 -8.165 1.00 0.00 C ATOM 892 CD LYS A 64 -10.392 2.680 -9.218 1.00 0.00 C ATOM 893 CE LYS A 64 -11.565 2.043 -9.945 1.00 0.00 C ATOM 894 NZ LYS A 64 -11.177 1.536 -11.290 1.00 0.00 N ATOM 0 H LYS A 64 -10.348 3.978 -4.752 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.727 4.696 -6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.026 2.187 -6.632 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.522 2.506 -7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.487 4.431 -8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.000 4.186 -7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.750 3.188 -9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.790 1.904 -8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.959 1.221 -9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.367 2.774 -10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.005 1.109 -11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.825 2.324 -11.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.430 0.820 -11.189 1.00 0.00 H new ATOM 908 N ASN A 65 -12.145 2.389 -4.061 1.00 0.00 N ATOM 909 CA ASN A 65 -12.773 1.599 -3.009 1.00 0.00 C ATOM 910 C ASN A 65 -13.273 2.495 -1.880 1.00 0.00 C ATOM 911 O ASN A 65 -14.313 2.231 -1.278 1.00 0.00 O ATOM 912 CB ASN A 65 -11.786 0.569 -2.458 1.00 0.00 C ATOM 913 CG ASN A 65 -11.168 -0.281 -3.551 1.00 0.00 C ATOM 914 OD1 ASN A 65 -9.950 -0.305 -3.721 1.00 0.00 O ATOM 915 ND2 ASN A 65 -12.010 -0.985 -4.299 1.00 0.00 N ATOM 0 H ASN A 65 -11.130 2.301 -4.105 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.628 1.079 -3.441 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.996 1.083 -1.911 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.299 -0.077 -1.745 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.653 -1.576 -5.050 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.013 -0.935 -4.122 1.00 0.00 H new ATOM 922 N ASP A 66 -12.524 3.557 -1.601 1.00 0.00 N ATOM 923 CA ASP A 66 -12.889 4.494 -0.544 1.00 0.00 C ATOM 924 C ASP A 66 -12.888 3.809 0.821 1.00 0.00 C ATOM 925 O ASP A 66 -13.583 4.240 1.741 1.00 0.00 O ATOM 926 CB ASP A 66 -14.266 5.100 -0.822 1.00 0.00 C ATOM 927 CG ASP A 66 -14.374 5.672 -2.222 1.00 0.00 C ATOM 928 OD1 ASP A 66 -13.321 5.962 -2.828 1.00 0.00 O ATOM 929 OD2 ASP A 66 -15.512 5.830 -2.713 1.00 0.00 O ATOM 0 H ASP A 66 -11.661 3.790 -2.092 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.145 5.290 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.031 4.336 -0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.467 5.886 -0.095 1.00 0.00 H new ATOM 934 N GLY A 67 -12.103 2.743 0.945 1.00 0.00 N ATOM 935 CA GLY A 67 -12.028 2.022 2.202 1.00 0.00 C ATOM 936 C GLY A 67 -12.961 0.827 2.247 1.00 0.00 C ATOM 937 O GLY A 67 -12.708 -0.138 2.969 1.00 0.00 O ATOM 0 H GLY A 67 -11.519 2.366 0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.004 1.685 2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.272 2.700 3.020 1.00 0.00 H new ATOM 941 N SER A 68 -14.044 0.890 1.478 1.00 0.00 N ATOM 942 CA SER A 68 -15.017 -0.196 1.439 1.00 0.00 C ATOM 943 C SER A 68 -15.086 -0.820 0.049 1.00 0.00 C ATOM 944 O SER A 68 -14.724 -0.190 -0.944 1.00 0.00 O ATOM 945 CB SER A 68 -16.399 0.316 1.849 1.00 0.00 C ATOM 946 OG SER A 68 -16.631 1.619 1.344 1.00 0.00 O ATOM 0 H SER A 68 -14.269 1.681 0.874 1.00 0.00 H new ATOM 0 HA SER A 68 -14.695 -0.962 2.144 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.167 -0.363 1.478 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.479 0.324 2.936 1.00 0.00 H new ATOM 0 HG SER A 68 -17.521 1.922 1.619 1.00 0.00 H new ATOM 952 N ILE A 69 -15.553 -2.063 -0.013 1.00 0.00 N ATOM 953 CA ILE A 69 -15.669 -2.773 -1.280 1.00 0.00 C ATOM 954 C ILE A 69 -16.833 -3.760 -1.251 1.00 0.00 C ATOM 955 O ILE A 69 -16.792 -4.761 -0.537 1.00 0.00 O ATOM 956 CB ILE A 69 -14.375 -3.535 -1.623 1.00 0.00 C ATOM 957 CG1 ILE A 69 -13.162 -2.612 -1.485 1.00 0.00 C ATOM 958 CG2 ILE A 69 -14.453 -4.110 -3.029 1.00 0.00 C ATOM 959 CD1 ILE A 69 -11.848 -3.288 -1.812 1.00 0.00 C ATOM 0 H ILE A 69 -15.857 -2.599 0.800 1.00 0.00 H new ATOM 0 HA ILE A 69 -15.850 -2.020 -2.047 1.00 0.00 H new ATOM 0 HB ILE A 69 -14.262 -4.361 -0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.293 -1.753 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -13.121 -2.230 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.531 -4.645 -3.255 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -15.297 -4.797 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.588 -3.300 -3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -11.032 -2.575 -1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.695 -4.131 -1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.869 -3.646 -2.841 1.00 0.00 H new ATOM 971 N GLY A 70 -17.868 -3.470 -2.032 1.00 0.00 N ATOM 972 CA GLY A 70 -19.028 -4.341 -2.081 1.00 0.00 C ATOM 973 C GLY A 70 -19.795 -4.358 -0.773 1.00 0.00 C ATOM 974 O GLY A 70 -20.731 -3.582 -0.584 1.00 0.00 O ATOM 0 H GLY A 70 -17.924 -2.647 -2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -19.690 -4.015 -2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.708 -5.354 -2.324 1.00 0.00 H new ATOM 978 N GLY A 71 -19.398 -5.248 0.131 1.00 0.00 N ATOM 979 CA GLY A 71 -20.065 -5.348 1.416 1.00 0.00 C ATOM 980 C GLY A 71 -19.105 -5.666 2.545 1.00 0.00 C ATOM 981 O GLY A 71 -19.482 -6.304 3.528 1.00 0.00 O ATOM 0 H GLY A 71 -18.626 -5.902 -0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.575 -4.409 1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.830 -6.122 1.365 1.00 0.00 H new ATOM 985 N LYS A 72 -17.861 -5.222 2.404 1.00 0.00 N ATOM 986 CA LYS A 72 -16.843 -5.464 3.420 1.00 0.00 C ATOM 987 C LYS A 72 -15.893 -4.276 3.531 1.00 0.00 C ATOM 988 O LYS A 72 -15.279 -3.865 2.547 1.00 0.00 O ATOM 989 CB LYS A 72 -16.056 -6.733 3.092 1.00 0.00 C ATOM 990 CG LYS A 72 -15.289 -7.298 4.277 1.00 0.00 C ATOM 991 CD LYS A 72 -15.952 -8.551 4.826 1.00 0.00 C ATOM 992 CE LYS A 72 -17.272 -8.230 5.508 1.00 0.00 C ATOM 993 NZ LYS A 72 -17.993 -9.463 5.928 1.00 0.00 N ATOM 0 H LYS A 72 -17.533 -4.693 1.596 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.346 -5.595 4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.745 -7.492 2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.355 -6.517 2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.268 -7.529 3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.226 -6.545 5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.123 -9.259 4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.283 -9.036 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.087 -7.603 6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.901 -7.655 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.888 -9.202 6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.192 -10.050 5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.403 -9.999 6.596 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.775 -3.729 4.737 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.898 -2.589 4.977 1.00 0.00 C ATOM 1009 C GLN A 73 -13.607 -3.029 5.659 1.00 0.00 C ATOM 1010 O GLN A 73 -13.561 -4.075 6.307 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.611 -1.543 5.836 1.00 0.00 C ATOM 1012 CG GLN A 73 -15.125 -0.123 5.594 1.00 0.00 C ATOM 1013 CD GLN A 73 -15.815 0.889 6.487 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -15.880 0.719 7.704 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -16.337 1.952 5.884 1.00 0.00 N ATOM 0 H GLN A 73 -16.276 -4.057 5.563 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.646 -2.147 4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.682 -1.590 5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.471 -1.792 6.888 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -14.049 -0.077 5.763 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.295 0.143 4.551 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.260 2.053 4.872 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.814 2.667 6.433 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.559 -2.226 5.507 1.00 0.00 N ATOM 1025 CA TYR A 74 -11.266 -2.533 6.108 1.00 0.00 C ATOM 1026 C TYR A 74 -10.792 -1.386 6.994 1.00 0.00 C ATOM 1027 O TYR A 74 -10.759 -1.507 8.219 1.00 0.00 O ATOM 1028 CB TYR A 74 -10.229 -2.815 5.020 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.595 -3.971 4.117 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -11.612 -3.848 3.179 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -9.925 -5.184 4.203 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -11.950 -4.902 2.351 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -10.257 -6.243 3.379 1.00 0.00 C ATOM 1034 CZ TYR A 74 -11.270 -6.096 2.456 1.00 0.00 C ATOM 1035 OH TYR A 74 -11.603 -7.149 1.633 1.00 0.00 O ATOM 0 H TYR A 74 -12.580 -1.357 4.973 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.383 -3.422 6.728 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.099 -1.919 4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.268 -3.023 5.491 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.147 -2.914 3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.131 -5.302 4.926 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.743 -4.790 1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.726 -7.180 3.458 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.555 -7.099 1.406 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.427 -0.273 6.368 1.00 0.00 N ATOM 1046 CA PHE A 75 -9.955 0.897 7.099 1.00 0.00 C ATOM 1047 C PHE A 75 -10.970 2.032 7.024 1.00 0.00 C ATOM 1048 O PHE A 75 -11.460 2.370 5.946 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.609 1.364 6.543 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.577 1.452 5.044 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -8.311 0.330 4.276 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -8.813 2.658 4.402 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -8.281 0.409 2.896 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -8.785 2.742 3.023 1.00 0.00 C ATOM 1055 CZ PHE A 75 -8.519 1.616 2.269 1.00 0.00 C ATOM 0 H PHE A 75 -10.449 -0.156 5.355 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.830 0.614 8.144 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.372 2.342 6.961 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.830 0.678 6.875 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.125 -0.617 4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.021 3.542 4.986 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.072 -0.473 2.309 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.971 3.687 2.535 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.497 1.679 1.191 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.283 2.617 8.175 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.240 3.715 8.239 1.00 0.00 C ATOM 1067 C ARG A 76 -11.581 5.036 7.854 1.00 0.00 C ATOM 1068 O ARG A 76 -10.821 5.612 8.632 1.00 0.00 O ATOM 1069 CB ARG A 76 -12.835 3.821 9.645 1.00 0.00 C ATOM 1070 CG ARG A 76 -13.893 2.769 9.938 1.00 0.00 C ATOM 1071 CD ARG A 76 -13.265 1.458 10.382 1.00 0.00 C ATOM 1072 NE ARG A 76 -14.177 0.329 10.209 1.00 0.00 N ATOM 1073 CZ ARG A 76 -15.169 0.041 11.050 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -15.380 0.797 12.121 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -15.952 -1.004 10.819 1.00 0.00 N ATOM 0 H ARG A 76 -10.888 2.349 9.076 1.00 0.00 H new ATOM 0 HA ARG A 76 -13.039 3.507 7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.033 3.732 10.378 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.274 4.811 9.771 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.565 3.134 10.715 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.498 2.601 9.047 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.355 1.280 9.810 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.974 1.532 11.430 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.046 -0.274 9.397 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.781 1.602 12.303 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.141 0.572 12.762 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.795 -1.587 9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.712 -1.224 11.463 1.00 0.00 H new ATOM 1089 N CYS A 77 -11.876 5.508 6.647 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.312 6.760 6.158 1.00 0.00 C ATOM 1091 C CYS A 77 -12.353 7.559 5.381 1.00 0.00 C ATOM 1092 O CYS A 77 -13.526 7.188 5.334 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.096 6.483 5.270 1.00 0.00 C ATOM 1094 SG CYS A 77 -8.717 7.623 5.530 1.00 0.00 S ATOM 0 H CYS A 77 -12.502 5.042 5.990 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.998 7.349 7.019 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -9.751 5.465 5.452 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.403 6.534 4.225 1.00 0.00 H new ATOM 0 HG CYS A 77 -8.194 7.940 4.383 1.00 0.00 H new ATOM 1100 N ASN A 78 -11.917 8.657 4.773 1.00 0.00 N ATOM 1101 CA ASN A 78 -12.811 9.510 3.998 1.00 0.00 C ATOM 1102 C ASN A 78 -13.045 8.930 2.605 1.00 0.00 C ATOM 1103 O ASN A 78 -12.252 8.124 2.119 1.00 0.00 O ATOM 1104 CB ASN A 78 -12.232 10.921 3.885 1.00 0.00 C ATOM 1105 CG ASN A 78 -12.473 11.747 5.134 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -11.555 11.993 5.916 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -13.714 12.180 5.326 1.00 0.00 N ATOM 0 H ASN A 78 -10.949 8.978 4.802 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.768 9.558 4.517 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.160 10.857 3.696 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.677 11.426 3.027 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.937 12.741 6.148 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -14.444 11.952 4.651 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.142 9.335 1.943 1.00 0.00 N ATOM 1115 CA PRO A 79 -14.475 8.852 0.599 1.00 0.00 C ATOM 1116 C PRO A 79 -13.501 9.363 -0.458 1.00 0.00 C ATOM 1117 O PRO A 79 -13.388 10.567 -0.680 1.00 0.00 O ATOM 1118 CB PRO A 79 -15.876 9.416 0.352 1.00 0.00 C ATOM 1119 CG PRO A 79 -15.962 10.615 1.232 1.00 0.00 C ATOM 1120 CD PRO A 79 -15.140 10.294 2.449 1.00 0.00 C ATOM 0 HA PRO A 79 -14.422 7.765 0.534 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.016 9.683 -0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.646 8.686 0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.579 11.500 0.724 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.996 10.826 1.504 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.668 11.186 2.862 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.749 9.860 3.242 1.00 0.00 H new ATOM 1128 N GLY A 80 -12.801 8.437 -1.105 1.00 0.00 N ATOM 1129 CA GLY A 80 -11.844 8.815 -2.130 1.00 0.00 C ATOM 1130 C GLY A 80 -10.422 8.863 -1.608 1.00 0.00 C ATOM 1131 O GLY A 80 -9.470 8.664 -2.362 1.00 0.00 O ATOM 0 H GLY A 80 -12.879 7.434 -0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.901 8.105 -2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.113 9.792 -2.531 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.277 9.129 -0.314 1.00 0.00 N ATOM 1136 CA TYR A 81 -8.960 9.203 0.309 1.00 0.00 C ATOM 1137 C TYR A 81 -8.519 7.832 0.813 1.00 0.00 C ATOM 1138 O TYR A 81 -8.160 7.671 1.980 1.00 0.00 O ATOM 1139 CB TYR A 81 -8.975 10.207 1.463 1.00 0.00 C ATOM 1140 CG TYR A 81 -9.463 11.582 1.065 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -10.818 11.839 0.904 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -8.566 12.622 0.849 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -11.267 13.095 0.538 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -9.008 13.879 0.484 1.00 0.00 C ATOM 1145 CZ TYR A 81 -10.359 14.110 0.330 1.00 0.00 C ATOM 1146 OH TYR A 81 -10.802 15.361 -0.034 1.00 0.00 O ATOM 0 H TYR A 81 -11.055 9.297 0.324 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.246 9.538 -0.444 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.611 9.822 2.260 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.968 10.293 1.872 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.533 11.046 1.067 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.507 12.445 0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.324 13.279 0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.299 14.677 0.320 1.00 0.00 H new ATOM 0 HH TYR A 81 -11.640 15.278 -0.535 1.00 0.00 H new ATOM 1156 N GLY A 82 -8.548 6.844 -0.077 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.149 5.500 0.296 1.00 0.00 C ATOM 1158 C GLY A 82 -8.247 4.525 -0.862 1.00 0.00 C ATOM 1159 O GLY A 82 -9.160 4.617 -1.682 1.00 0.00 O ATOM 0 H GLY A 82 -8.840 6.951 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.124 5.518 0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.778 5.151 1.115 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.305 3.589 -0.928 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.290 2.595 -1.993 1.00 0.00 C ATOM 1165 C LEU A 83 -6.529 1.345 -1.560 1.00 0.00 C ATOM 1166 O LEU A 83 -5.549 1.429 -0.818 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.656 3.180 -3.257 1.00 0.00 C ATOM 1168 CG LEU A 83 -6.910 2.383 -4.538 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -8.377 2.459 -4.931 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -6.026 2.894 -5.665 1.00 0.00 C ATOM 0 H LEU A 83 -6.543 3.499 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.321 2.315 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.031 4.194 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.580 3.257 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.660 1.339 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.539 1.886 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.990 2.046 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.655 3.499 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.219 2.317 -6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.246 3.945 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.979 2.787 -5.383 1.00 0.00 H new ATOM 1182 N LEU A 84 -6.984 0.188 -2.028 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.346 -1.078 -1.690 1.00 0.00 C ATOM 1184 C LEU A 84 -5.484 -1.578 -2.845 1.00 0.00 C ATOM 1185 O LEU A 84 -5.998 -2.085 -3.843 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.403 -2.126 -1.331 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.564 -2.397 0.167 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -9.022 -2.665 0.508 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.691 -3.567 0.592 1.00 0.00 C ATOM 0 H LEU A 84 -7.793 0.101 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.702 -0.914 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.364 -1.803 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.149 -3.062 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.242 -1.511 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.117 -2.855 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.624 -1.797 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.372 -3.535 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.817 -3.746 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.983 -4.459 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.646 -3.336 0.384 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.171 -1.431 -2.703 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.237 -1.867 -3.734 1.00 0.00 C ATOM 1203 C VAL A 85 -2.304 -2.952 -3.206 1.00 0.00 C ATOM 1204 O VAL A 85 -1.948 -2.960 -2.029 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.392 -0.692 -4.261 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.258 0.277 -5.050 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.694 0.020 -3.111 1.00 0.00 C ATOM 0 H VAL A 85 -3.730 -1.013 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.834 -2.270 -4.552 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.629 -1.088 -4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.644 1.100 -5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.707 -0.243 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.045 0.669 -4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.101 0.847 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.440 0.404 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.040 -0.681 -2.592 1.00 0.00 H new ATOM 1217 N ARG A 86 -1.909 -3.866 -4.087 1.00 0.00 N ATOM 1218 CA ARG A 86 -1.017 -4.956 -3.710 1.00 0.00 C ATOM 1219 C ARG A 86 0.389 -4.431 -3.425 1.00 0.00 C ATOM 1220 O ARG A 86 0.750 -3.335 -3.855 1.00 0.00 O ATOM 1221 CB ARG A 86 -0.967 -6.009 -4.818 1.00 0.00 C ATOM 1222 CG ARG A 86 -2.338 -6.519 -5.233 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.412 -8.038 -5.172 1.00 0.00 C ATOM 1224 NE ARG A 86 -3.404 -8.576 -6.100 1.00 0.00 N ATOM 1225 CZ ARG A 86 -3.432 -9.844 -6.501 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -2.528 -10.708 -6.057 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -4.368 -10.251 -7.348 1.00 0.00 N ATOM 0 H ARG A 86 -2.193 -3.873 -5.067 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.406 -5.415 -2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.467 -5.585 -5.689 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.362 -6.851 -4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.099 -6.090 -4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.560 -6.184 -6.246 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.433 -8.458 -5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.660 -8.348 -4.157 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.117 -7.942 -6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.807 -10.401 -5.405 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.555 -11.679 -6.368 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.066 -9.592 -7.692 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.390 -11.223 -7.656 1.00 0.00 H new ATOM 1241 N PRO A 87 1.204 -5.211 -2.694 1.00 0.00 N ATOM 1242 CA PRO A 87 2.576 -4.818 -2.354 1.00 0.00 C ATOM 1243 C PRO A 87 3.374 -4.386 -3.578 1.00 0.00 C ATOM 1244 O PRO A 87 4.256 -3.531 -3.489 1.00 0.00 O ATOM 1245 CB PRO A 87 3.170 -6.091 -1.749 1.00 0.00 C ATOM 1246 CG PRO A 87 1.998 -6.838 -1.213 1.00 0.00 C ATOM 1247 CD PRO A 87 0.855 -6.534 -2.142 1.00 0.00 C ATOM 0 HA PRO A 87 2.600 -3.960 -1.682 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.702 -6.675 -2.500 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.885 -5.858 -0.960 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.200 -7.909 -1.179 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.768 -6.525 -0.195 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.764 -7.285 -2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.097 -6.510 -1.612 1.00 0.00 H new ATOM 1255 N SER A 88 3.059 -4.982 -4.722 1.00 0.00 N ATOM 1256 CA SER A 88 3.744 -4.658 -5.968 1.00 0.00 C ATOM 1257 C SER A 88 3.531 -3.195 -6.342 1.00 0.00 C ATOM 1258 O SER A 88 4.391 -2.572 -6.963 1.00 0.00 O ATOM 1259 CB SER A 88 3.247 -5.563 -7.098 1.00 0.00 C ATOM 1260 OG SER A 88 1.888 -5.301 -7.401 1.00 0.00 O ATOM 0 H SER A 88 2.333 -5.693 -4.813 1.00 0.00 H new ATOM 0 HA SER A 88 4.811 -4.825 -5.821 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.858 -5.408 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.364 -6.608 -6.809 1.00 0.00 H new ATOM 0 HG SER A 88 1.595 -5.891 -8.127 1.00 0.00 H new ATOM 1266 N ARG A 89 2.380 -2.654 -5.956 1.00 0.00 N ATOM 1267 CA ARG A 89 2.054 -1.263 -6.250 1.00 0.00 C ATOM 1268 C ARG A 89 2.335 -0.371 -5.044 1.00 0.00 C ATOM 1269 O ARG A 89 1.682 0.655 -4.854 1.00 0.00 O ATOM 1270 CB ARG A 89 0.585 -1.138 -6.660 1.00 0.00 C ATOM 1271 CG ARG A 89 0.294 -1.681 -8.049 1.00 0.00 C ATOM 1272 CD ARG A 89 0.359 -0.585 -9.100 1.00 0.00 C ATOM 1273 NE ARG A 89 -0.450 -0.903 -10.274 1.00 0.00 N ATOM 1274 CZ ARG A 89 -0.848 0.000 -11.167 1.00 0.00 C ATOM 1275 NH1 ARG A 89 -0.516 1.277 -11.024 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -1.580 -0.374 -12.207 1.00 0.00 N ATOM 0 H ARG A 89 1.658 -3.157 -5.440 1.00 0.00 H new ATOM 0 HA ARG A 89 2.685 -0.935 -7.076 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.033 -1.668 -5.935 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.293 -0.089 -6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.013 -2.464 -8.293 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.694 -2.141 -8.062 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.015 0.354 -8.666 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.395 -0.435 -9.404 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.726 -1.874 -10.418 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.047 1.571 -10.226 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.824 1.964 -11.712 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.838 -1.354 -12.323 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.885 0.318 -12.891 1.00 0.00 H new ATOM 1290 N VAL A 90 3.309 -0.770 -4.233 1.00 0.00 N ATOM 1291 CA VAL A 90 3.676 -0.007 -3.046 1.00 0.00 C ATOM 1292 C VAL A 90 5.187 -0.004 -2.840 1.00 0.00 C ATOM 1293 O VAL A 90 5.791 -1.047 -2.592 1.00 0.00 O ATOM 1294 CB VAL A 90 2.998 -0.571 -1.784 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.229 0.351 -0.596 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.511 -0.780 -2.025 1.00 0.00 C ATOM 0 H VAL A 90 3.858 -1.617 -4.376 1.00 0.00 H new ATOM 0 HA VAL A 90 3.332 1.015 -3.208 1.00 0.00 H new ATOM 0 HB VAL A 90 3.445 -1.539 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.742 -0.064 0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.299 0.444 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.811 1.334 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.049 -1.179 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.046 0.172 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.371 -1.483 -2.846 1.00 0.00 H new ATOM 1306 N ARG A 91 5.791 1.175 -2.945 1.00 0.00 N ATOM 1307 CA ARG A 91 7.232 1.314 -2.769 1.00 0.00 C ATOM 1308 C ARG A 91 7.552 2.222 -1.586 1.00 0.00 C ATOM 1309 O ARG A 91 6.713 3.007 -1.149 1.00 0.00 O ATOM 1310 CB ARG A 91 7.870 1.874 -4.043 1.00 0.00 C ATOM 1311 CG ARG A 91 7.566 1.054 -5.287 1.00 0.00 C ATOM 1312 CD ARG A 91 8.140 1.704 -6.535 1.00 0.00 C ATOM 1313 NE ARG A 91 7.887 0.907 -7.733 1.00 0.00 N ATOM 1314 CZ ARG A 91 8.497 -0.245 -8.000 1.00 0.00 C ATOM 1315 NH1 ARG A 91 9.396 -0.738 -7.158 1.00 0.00 N ATOM 1316 NH2 ARG A 91 8.207 -0.907 -9.113 1.00 0.00 N ATOM 0 H ARG A 91 5.305 2.048 -3.151 1.00 0.00 H new ATOM 0 HA ARG A 91 7.645 0.326 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.520 2.895 -4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.950 1.925 -3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.980 0.052 -5.174 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.487 0.943 -5.396 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.704 2.695 -6.660 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.214 1.841 -6.411 1.00 0.00 H new ATOM 0 HE ARG A 91 7.202 1.254 -8.404 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.623 -0.234 -6.301 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.861 -1.622 -7.368 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.517 -0.533 -9.764 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.675 -1.790 -9.318 1.00 0.00 H new ATOM 1330 N ARG A 92 8.774 2.107 -1.073 1.00 0.00 N ATOM 1331 CA ARG A 92 9.205 2.918 0.059 1.00 0.00 C ATOM 1332 C ARG A 92 9.319 4.387 -0.336 1.00 0.00 C ATOM 1333 O ARG A 92 9.940 4.722 -1.344 1.00 0.00 O ATOM 1334 CB ARG A 92 10.548 2.412 0.594 1.00 0.00 C ATOM 1335 CG ARG A 92 10.467 1.842 2.001 1.00 0.00 C ATOM 1336 CD ARG A 92 11.780 2.011 2.749 1.00 0.00 C ATOM 1337 NE ARG A 92 12.272 0.742 3.283 1.00 0.00 N ATOM 1338 CZ ARG A 92 13.308 0.638 4.112 1.00 0.00 C ATOM 1339 NH1 ARG A 92 13.965 1.724 4.504 1.00 0.00 N ATOM 1340 NH2 ARG A 92 13.689 -0.553 4.550 1.00 0.00 N ATOM 0 H ARG A 92 9.481 1.461 -1.423 1.00 0.00 H new ATOM 0 HA ARG A 92 8.454 2.831 0.844 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.932 1.645 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.266 3.232 0.584 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.668 2.340 2.550 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.209 0.784 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.527 2.437 2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.644 2.720 3.566 1.00 0.00 H new ATOM 0 HE ARG A 92 11.793 -0.114 3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.676 2.643 4.170 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.758 1.639 5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.188 -1.390 4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.483 -0.633 5.185 1.00 0.00 H new ATOM 1354 N ALA A 93 8.713 5.258 0.465 1.00 0.00 N ATOM 1355 CA ALA A 93 8.747 6.691 0.197 1.00 0.00 C ATOM 1356 C ALA A 93 9.726 7.400 1.128 1.00 0.00 C ATOM 1357 O ALA A 93 9.516 7.454 2.340 1.00 0.00 O ATOM 1358 CB ALA A 93 7.354 7.286 0.339 1.00 0.00 C ATOM 0 H ALA A 93 8.194 4.997 1.303 1.00 0.00 H new ATOM 0 HA ALA A 93 9.090 6.837 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.393 8.356 0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.680 6.807 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.990 7.122 1.353 1.00 0.00 H new ATOM 1364 N THR A 94 10.793 7.943 0.553 1.00 0.00 N ATOM 1365 CA THR A 94 11.805 8.649 1.332 1.00 0.00 C ATOM 1366 C THR A 94 11.850 10.126 0.954 1.00 0.00 C ATOM 1367 O THR A 94 12.900 10.765 1.037 1.00 0.00 O ATOM 1368 CB THR A 94 13.179 8.013 1.118 1.00 0.00 C ATOM 1369 OG1 THR A 94 14.153 8.637 1.936 1.00 0.00 O ATOM 1370 CG2 THR A 94 13.660 8.096 -0.314 1.00 0.00 C ATOM 0 H THR A 94 10.980 7.908 -0.449 1.00 0.00 H new ATOM 0 HA THR A 94 11.537 8.571 2.386 1.00 0.00 H new ATOM 0 HB THR A 94 13.056 6.963 1.382 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.040 9.610 1.895 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.640 7.626 -0.396 1.00 0.00 H new ATOM 0 HG22 THR A 94 12.955 7.580 -0.965 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.732 9.142 -0.614 1.00 0.00 H new ATOM 1378 N SER A 95 10.708 10.663 0.538 1.00 0.00 N ATOM 1379 CA SER A 95 10.619 12.065 0.148 1.00 0.00 C ATOM 1380 C SER A 95 11.562 12.369 -1.012 1.00 0.00 C ATOM 1381 O SER A 95 12.660 12.890 -0.811 1.00 0.00 O ATOM 1382 CB SER A 95 10.945 12.968 1.338 1.00 0.00 C ATOM 1383 OG SER A 95 10.122 12.665 2.450 1.00 0.00 O ATOM 0 H SER A 95 9.831 10.148 0.462 1.00 0.00 H new ATOM 0 HA SER A 95 9.598 12.262 -0.179 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.993 12.847 1.614 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.808 14.012 1.054 1.00 0.00 H new ATOM 0 HG SER A 95 10.352 13.255 3.198 1.00 0.00 H new ATOM 1389 N GLY A 96 11.128 12.043 -2.224 1.00 0.00 N ATOM 1390 CA GLY A 96 11.945 12.290 -3.397 1.00 0.00 C ATOM 1391 C GLY A 96 12.237 11.021 -4.181 1.00 0.00 C ATOM 1392 O GLY A 96 12.592 9.999 -3.594 1.00 0.00 O ATOM 0 H GLY A 96 10.224 11.612 -2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.438 13.005 -4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.885 12.749 -3.091 1.00 0.00 H new ATOM 1396 N PRO A 97 12.096 11.054 -5.518 1.00 0.00 N ATOM 1397 CA PRO A 97 12.351 9.885 -6.366 1.00 0.00 C ATOM 1398 C PRO A 97 13.842 9.620 -6.553 1.00 0.00 C ATOM 1399 O PRO A 97 14.677 10.199 -5.858 1.00 0.00 O ATOM 1400 CB PRO A 97 11.707 10.274 -7.696 1.00 0.00 C ATOM 1401 CG PRO A 97 11.802 11.760 -7.736 1.00 0.00 C ATOM 1402 CD PRO A 97 11.675 12.227 -6.310 1.00 0.00 C ATOM 0 HA PRO A 97 11.952 8.968 -5.933 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.230 9.820 -8.538 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.670 9.941 -7.747 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.751 12.078 -8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.012 12.184 -8.356 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.310 13.091 -6.114 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.652 12.523 -6.075 1.00 0.00 H new ATOM 1410 N SER A 98 14.167 8.741 -7.495 1.00 0.00 N ATOM 1411 CA SER A 98 15.557 8.399 -7.774 1.00 0.00 C ATOM 1412 C SER A 98 16.051 9.112 -9.029 1.00 0.00 C ATOM 1413 O SER A 98 15.272 9.744 -9.743 1.00 0.00 O ATOM 1414 CB SER A 98 15.708 6.886 -7.940 1.00 0.00 C ATOM 1415 OG SER A 98 17.064 6.491 -7.815 1.00 0.00 O ATOM 0 H SER A 98 13.487 8.253 -8.078 1.00 0.00 H new ATOM 0 HA SER A 98 16.163 8.727 -6.929 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.106 6.373 -7.190 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.327 6.584 -8.916 1.00 0.00 H new ATOM 0 HG SER A 98 17.133 5.519 -7.923 1.00 0.00 H new ATOM 1421 N SER A 99 17.349 9.007 -9.291 1.00 0.00 N ATOM 1422 CA SER A 99 17.946 9.642 -10.461 1.00 0.00 C ATOM 1423 C SER A 99 19.261 8.967 -10.835 1.00 0.00 C ATOM 1424 O SER A 99 19.852 8.246 -10.031 1.00 0.00 O ATOM 1425 CB SER A 99 18.181 11.130 -10.193 1.00 0.00 C ATOM 1426 OG SER A 99 16.965 11.855 -10.235 1.00 0.00 O ATOM 0 H SER A 99 18.008 8.489 -8.710 1.00 0.00 H new ATOM 0 HA SER A 99 17.254 9.534 -11.296 1.00 0.00 H new ATOM 0 HB2 SER A 99 18.650 11.257 -9.217 1.00 0.00 H new ATOM 0 HB3 SER A 99 18.873 11.531 -10.934 1.00 0.00 H new ATOM 0 HG SER A 99 16.211 11.233 -10.172 1.00 0.00 H new ATOM 1432 N GLY A 100 19.714 9.205 -12.062 1.00 0.00 N ATOM 1433 CA GLY A 100 20.956 8.612 -12.522 1.00 0.00 C ATOM 1434 C GLY A 100 21.080 8.625 -14.034 1.00 0.00 C ATOM 1435 O GLY A 100 21.977 7.935 -14.562 1.00 0.00 O ATOM 1436 OXT GLY A 100 20.278 9.324 -14.689 1.00 0.00 O ATOM 0 H GLY A 100 19.243 9.798 -12.746 1.00 0.00 H new ATOM 0 HA2 GLY A 100 21.796 9.153 -12.087 1.00 0.00 H new ATOM 0 HA3 GLY A 100 21.019 7.584 -12.164 1.00 0.00 H new TER 1440 GLY A 100