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 Single : A 1 GLY N :NH3+ 171:sc= 0.289 (180deg=0.262) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 155:sc= -0.672 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -151:sc= -0.942 (180deg=-2.54) 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 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -3.65! C(o=-3.6!,f=-3.6!) USER MOD Single : A 68 SER OG : rot -54:sc= 0.823 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.171 K(o=-0.17,f=-2.2!) USER MOD Single : A 74 TYR OH : rot -30:sc= -0.068 USER MOD Single : A 77 CYS SG : rot -135:sc= -0.529 USER MOD Single : A 78 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.034) USER MOD Single : A 81 TYR OH : rot 180:sc=-0.00743 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.755 USER MOD Single : A 95 SER OG : rot -47:sc= 0.243 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.708 -16.232 13.309 1.00 0.00 N ATOM 2 CA GLY A 1 6.696 -16.736 14.710 1.00 0.00 C ATOM 3 C GLY A 1 7.241 -15.721 15.696 1.00 0.00 C ATOM 4 O GLY A 1 6.480 -15.073 16.414 1.00 0.00 O ATOM 0 H1 GLY A 1 6.472 -17.009 12.659 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.007 -15.471 13.208 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.654 -15.864 13.080 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.676 -16.998 14.990 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.288 -17.650 14.769 1.00 0.00 H new ATOM 10 N SER A 2 8.562 -15.583 15.730 1.00 0.00 N ATOM 11 CA SER A 2 9.209 -14.640 16.636 1.00 0.00 C ATOM 12 C SER A 2 9.563 -13.346 15.910 1.00 0.00 C ATOM 13 O SER A 2 10.574 -12.711 16.211 1.00 0.00 O ATOM 14 CB SER A 2 10.470 -15.262 17.238 1.00 0.00 C ATOM 15 OG SER A 2 10.141 -16.224 18.226 1.00 0.00 O ATOM 0 H SER A 2 9.206 -16.112 15.141 1.00 0.00 H new ATOM 0 HA SER A 2 8.509 -14.406 17.439 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.060 -15.731 16.451 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.090 -14.481 17.678 1.00 0.00 H new ATOM 0 HG SER A 2 10.963 -16.609 18.595 1.00 0.00 H new ATOM 21 N SER A 3 8.723 -12.959 14.955 1.00 0.00 N ATOM 22 CA SER A 3 8.949 -11.740 14.186 1.00 0.00 C ATOM 23 C SER A 3 7.637 -11.201 13.626 1.00 0.00 C ATOM 24 O SER A 3 7.335 -10.015 13.759 1.00 0.00 O ATOM 25 CB SER A 3 9.932 -12.005 13.046 1.00 0.00 C ATOM 26 OG SER A 3 9.527 -13.120 12.270 1.00 0.00 O ATOM 0 H SER A 3 7.880 -13.471 14.695 1.00 0.00 H new ATOM 0 HA SER A 3 9.374 -10.992 14.855 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.003 -11.122 12.410 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.927 -12.184 13.454 1.00 0.00 H new ATOM 0 HG SER A 3 10.172 -13.267 11.547 1.00 0.00 H new ATOM 32 N GLY A 4 6.861 -12.079 13.000 1.00 0.00 N ATOM 33 CA GLY A 4 5.591 -11.672 12.428 1.00 0.00 C ATOM 34 C GLY A 4 4.514 -12.725 12.599 1.00 0.00 C ATOM 35 O GLY A 4 4.780 -13.920 12.478 1.00 0.00 O ATOM 0 H GLY A 4 7.089 -13.066 12.878 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.265 -10.744 12.898 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.725 -11.462 11.367 1.00 0.00 H new ATOM 39 N SER A 5 3.293 -12.280 12.882 1.00 0.00 N ATOM 40 CA SER A 5 2.171 -13.193 13.069 1.00 0.00 C ATOM 41 C SER A 5 0.893 -12.613 12.474 1.00 0.00 C ATOM 42 O SER A 5 -0.197 -12.807 13.012 1.00 0.00 O ATOM 43 CB SER A 5 1.969 -13.484 14.557 1.00 0.00 C ATOM 44 OG SER A 5 1.458 -12.351 15.236 1.00 0.00 O ATOM 0 H SER A 5 3.056 -11.293 12.987 1.00 0.00 H new ATOM 0 HA SER A 5 2.401 -14.124 12.551 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.283 -14.323 14.676 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.917 -13.782 15.004 1.00 0.00 H new ATOM 0 HG SER A 5 1.337 -12.565 16.185 1.00 0.00 H new ATOM 50 N SER A 6 1.034 -11.901 11.361 1.00 0.00 N ATOM 51 CA SER A 6 -0.110 -11.293 10.692 1.00 0.00 C ATOM 52 C SER A 6 -0.352 -11.940 9.331 1.00 0.00 C ATOM 53 O SER A 6 -1.396 -12.550 9.099 1.00 0.00 O ATOM 54 CB SER A 6 0.112 -9.788 10.524 1.00 0.00 C ATOM 55 OG SER A 6 -1.052 -9.058 10.875 1.00 0.00 O ATOM 0 H SER A 6 1.929 -11.731 10.903 1.00 0.00 H new ATOM 0 HA SER A 6 -0.991 -11.456 11.312 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.947 -9.469 11.147 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.384 -9.570 9.491 1.00 0.00 H new ATOM 0 HG SER A 6 -0.884 -8.099 10.761 1.00 0.00 H new ATOM 61 N GLY A 7 0.620 -11.801 8.435 1.00 0.00 N ATOM 62 CA GLY A 7 0.494 -12.377 7.109 1.00 0.00 C ATOM 63 C GLY A 7 1.614 -13.348 6.789 1.00 0.00 C ATOM 64 O GLY A 7 2.441 -13.656 7.648 1.00 0.00 O ATOM 0 H GLY A 7 1.492 -11.300 8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.463 -12.892 7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.488 -11.578 6.368 1.00 0.00 H new ATOM 68 N GLN A 8 1.641 -13.831 5.552 1.00 0.00 N ATOM 69 CA GLN A 8 2.668 -14.773 5.122 1.00 0.00 C ATOM 70 C GLN A 8 2.621 -16.046 5.959 1.00 0.00 C ATOM 71 O GLN A 8 3.092 -16.072 7.096 1.00 0.00 O ATOM 72 CB GLN A 8 4.053 -14.129 5.219 1.00 0.00 C ATOM 73 CG GLN A 8 4.771 -14.027 3.883 1.00 0.00 C ATOM 74 CD GLN A 8 5.888 -15.042 3.742 1.00 0.00 C ATOM 75 OE1 GLN A 8 7.053 -14.740 4.001 1.00 0.00 O ATOM 76 NE2 GLN A 8 5.537 -16.255 3.330 1.00 0.00 N ATOM 0 H GLN A 8 0.964 -13.586 4.830 1.00 0.00 H new ATOM 0 HA GLN A 8 2.473 -15.038 4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.951 -13.131 5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.667 -14.709 5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.052 -14.170 3.076 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.181 -13.023 3.771 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.559 -16.461 3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.245 -16.980 3.217 1.00 0.00 H new ATOM 85 N ALA A 9 2.050 -17.103 5.390 1.00 0.00 N ATOM 86 CA ALA A 9 1.942 -18.380 6.084 1.00 0.00 C ATOM 87 C ALA A 9 3.060 -19.329 5.667 1.00 0.00 C ATOM 88 O ALA A 9 3.966 -19.619 6.448 1.00 0.00 O ATOM 89 CB ALA A 9 0.581 -19.011 5.819 1.00 0.00 C ATOM 0 H ALA A 9 1.655 -17.100 4.450 1.00 0.00 H new ATOM 0 HA ALA A 9 2.042 -18.194 7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.514 -19.964 6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.205 -18.345 6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.459 -19.176 4.749 1.00 0.00 H new ATOM 95 N LEU A 10 2.989 -19.812 4.431 1.00 0.00 N ATOM 96 CA LEU A 10 3.995 -20.730 3.910 1.00 0.00 C ATOM 97 C LEU A 10 4.234 -20.489 2.423 1.00 0.00 C ATOM 98 O LEU A 10 5.356 -20.208 2.002 1.00 0.00 O ATOM 99 CB LEU A 10 3.561 -22.179 4.141 1.00 0.00 C ATOM 100 CG LEU A 10 3.780 -22.700 5.564 1.00 0.00 C ATOM 101 CD1 LEU A 10 2.527 -23.393 6.080 1.00 0.00 C ATOM 102 CD2 LEU A 10 4.971 -23.646 5.610 1.00 0.00 C ATOM 0 H LEU A 10 2.245 -19.583 3.772 1.00 0.00 H new ATOM 0 HA LEU A 10 4.928 -20.548 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.503 -22.269 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.105 -22.820 3.447 1.00 0.00 H new ATOM 0 HG LEU A 10 3.992 -21.849 6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.703 -23.756 7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.697 -22.686 6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.282 -24.233 5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.111 -24.006 6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.789 -24.493 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.868 -23.118 5.285 1.00 0.00 H new ATOM 114 N ALA A 11 3.173 -20.602 1.632 1.00 0.00 N ATOM 115 CA ALA A 11 3.268 -20.397 0.192 1.00 0.00 C ATOM 116 C ALA A 11 2.089 -19.582 -0.326 1.00 0.00 C ATOM 117 O ALA A 11 2.270 -18.538 -0.952 1.00 0.00 O ATOM 118 CB ALA A 11 3.343 -21.736 -0.528 1.00 0.00 C ATOM 0 H ALA A 11 2.237 -20.835 1.964 1.00 0.00 H new ATOM 0 HA ALA A 11 4.180 -19.836 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.414 -21.568 -1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.222 -22.283 -0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.447 -22.317 -0.310 1.00 0.00 H new ATOM 124 N SER A 12 0.879 -20.068 -0.060 1.00 0.00 N ATOM 125 CA SER A 12 -0.336 -19.387 -0.497 1.00 0.00 C ATOM 126 C SER A 12 -0.412 -19.327 -2.021 1.00 0.00 C ATOM 127 O SER A 12 -1.115 -20.119 -2.648 1.00 0.00 O ATOM 128 CB SER A 12 -0.399 -17.975 0.090 1.00 0.00 C ATOM 129 OG SER A 12 -1.480 -17.242 -0.460 1.00 0.00 O ATOM 0 H SER A 12 0.714 -20.932 0.457 1.00 0.00 H new ATOM 0 HA SER A 12 -1.191 -19.958 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.508 -18.033 1.173 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.537 -17.453 -0.109 1.00 0.00 H new ATOM 0 HG SER A 12 -1.500 -16.344 -0.068 1.00 0.00 H new ATOM 135 N ASP A 13 0.317 -18.383 -2.611 1.00 0.00 N ATOM 136 CA ASP A 13 0.330 -18.223 -4.061 1.00 0.00 C ATOM 137 C ASP A 13 1.488 -18.996 -4.684 1.00 0.00 C ATOM 138 O ASP A 13 1.390 -19.478 -5.812 1.00 0.00 O ATOM 139 CB ASP A 13 0.431 -16.743 -4.430 1.00 0.00 C ATOM 140 CG ASP A 13 -0.392 -16.395 -5.656 1.00 0.00 C ATOM 141 OD1 ASP A 13 -0.311 -17.139 -6.656 1.00 0.00 O ATOM 142 OD2 ASP A 13 -1.116 -15.379 -5.615 1.00 0.00 O ATOM 0 H ASP A 13 0.905 -17.719 -2.108 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.604 -18.625 -4.454 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.097 -16.138 -3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.475 -16.487 -4.612 1.00 0.00 H new ATOM 147 N SER A 14 2.586 -19.109 -3.940 1.00 0.00 N ATOM 148 CA SER A 14 3.768 -19.823 -4.416 1.00 0.00 C ATOM 149 C SER A 14 4.450 -19.058 -5.547 1.00 0.00 C ATOM 150 O SER A 14 5.579 -18.589 -5.399 1.00 0.00 O ATOM 151 CB SER A 14 3.392 -21.230 -4.889 1.00 0.00 C ATOM 152 OG SER A 14 4.381 -22.175 -4.519 1.00 0.00 O ATOM 0 H SER A 14 2.682 -18.715 -3.004 1.00 0.00 H new ATOM 0 HA SER A 14 4.467 -19.905 -3.584 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.432 -21.517 -4.459 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.270 -21.232 -5.972 1.00 0.00 H new ATOM 0 HG SER A 14 4.116 -23.065 -4.831 1.00 0.00 H new ATOM 158 N GLU A 15 3.758 -18.936 -6.676 1.00 0.00 N ATOM 159 CA GLU A 15 4.298 -18.229 -7.832 1.00 0.00 C ATOM 160 C GLU A 15 4.683 -16.799 -7.466 1.00 0.00 C ATOM 161 O GLU A 15 4.128 -16.214 -6.537 1.00 0.00 O ATOM 162 CB GLU A 15 3.276 -18.218 -8.970 1.00 0.00 C ATOM 163 CG GLU A 15 2.853 -19.607 -9.422 1.00 0.00 C ATOM 164 CD GLU A 15 1.506 -19.610 -10.118 1.00 0.00 C ATOM 165 OE1 GLU A 15 0.477 -19.714 -9.419 1.00 0.00 O ATOM 166 OE2 GLU A 15 1.482 -19.507 -11.363 1.00 0.00 O ATOM 0 H GLU A 15 2.822 -19.318 -6.815 1.00 0.00 H new ATOM 0 HA GLU A 15 5.195 -18.754 -8.161 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.393 -17.665 -8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.697 -17.681 -9.820 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.607 -20.010 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.812 -20.269 -8.557 1.00 0.00 H new ATOM 173 N GLU A 16 5.640 -16.243 -8.203 1.00 0.00 N ATOM 174 CA GLU A 16 6.102 -14.881 -7.955 1.00 0.00 C ATOM 175 C GLU A 16 5.091 -13.861 -8.469 1.00 0.00 C ATOM 176 O GLU A 16 5.184 -13.400 -9.607 1.00 0.00 O ATOM 177 CB GLU A 16 7.460 -14.651 -8.621 1.00 0.00 C ATOM 178 CG GLU A 16 8.050 -13.280 -8.338 1.00 0.00 C ATOM 179 CD GLU A 16 9.453 -13.123 -8.890 1.00 0.00 C ATOM 180 OE1 GLU A 16 10.183 -14.135 -8.950 1.00 0.00 O ATOM 181 OE2 GLU A 16 9.822 -11.989 -9.262 1.00 0.00 O ATOM 0 H GLU A 16 6.110 -16.714 -8.976 1.00 0.00 H new ATOM 0 HA GLU A 16 6.207 -14.750 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.158 -15.415 -8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.353 -14.776 -9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.406 -12.515 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.066 -13.111 -7.261 1.00 0.00 H new ATOM 188 N ALA A 17 4.127 -13.512 -7.624 1.00 0.00 N ATOM 189 CA ALA A 17 3.101 -12.546 -7.992 1.00 0.00 C ATOM 190 C ALA A 17 2.594 -11.785 -6.771 1.00 0.00 C ATOM 191 O ALA A 17 1.466 -11.292 -6.759 1.00 0.00 O ATOM 192 CB ALA A 17 1.949 -13.244 -8.698 1.00 0.00 C ATOM 0 H ALA A 17 4.036 -13.885 -6.679 1.00 0.00 H new ATOM 0 HA ALA A 17 3.548 -11.823 -8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.189 -12.510 -8.967 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.318 -13.733 -9.600 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.513 -13.990 -8.033 1.00 0.00 H new ATOM 198 N ASP A 18 3.435 -11.692 -5.743 1.00 0.00 N ATOM 199 CA ASP A 18 3.073 -10.990 -4.516 1.00 0.00 C ATOM 200 C ASP A 18 4.209 -11.055 -3.499 1.00 0.00 C ATOM 201 O ASP A 18 4.160 -11.835 -2.548 1.00 0.00 O ATOM 202 CB ASP A 18 1.798 -11.588 -3.913 1.00 0.00 C ATOM 203 CG ASP A 18 0.900 -10.531 -3.300 1.00 0.00 C ATOM 204 OD1 ASP A 18 0.174 -9.855 -4.059 1.00 0.00 O ATOM 205 OD2 ASP A 18 0.922 -10.380 -2.060 1.00 0.00 O ATOM 0 H ASP A 18 4.372 -12.095 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 18 2.890 -9.945 -4.767 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.249 -12.123 -4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.068 -12.319 -3.151 1.00 0.00 H new ATOM 210 N GLU A 19 5.231 -10.231 -3.707 1.00 0.00 N ATOM 211 CA GLU A 19 6.378 -10.195 -2.806 1.00 0.00 C ATOM 212 C GLU A 19 6.205 -9.113 -1.747 1.00 0.00 C ATOM 213 O GLU A 19 6.587 -7.961 -1.953 1.00 0.00 O ATOM 214 CB GLU A 19 7.666 -9.953 -3.597 1.00 0.00 C ATOM 215 CG GLU A 19 8.846 -10.771 -3.099 1.00 0.00 C ATOM 216 CD GLU A 19 10.038 -9.912 -2.724 1.00 0.00 C ATOM 217 OE1 GLU A 19 10.168 -8.801 -3.281 1.00 0.00 O ATOM 218 OE2 GLU A 19 10.841 -10.349 -1.873 1.00 0.00 O ATOM 0 H GLU A 19 5.289 -9.580 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 19 6.445 -11.160 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.488 -10.188 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.921 -8.894 -3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.538 -11.355 -2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.143 -11.480 -3.872 1.00 0.00 H new ATOM 225 N VAL A 20 5.625 -9.491 -0.611 1.00 0.00 N ATOM 226 CA VAL A 20 5.401 -8.554 0.482 1.00 0.00 C ATOM 227 C VAL A 20 6.677 -8.347 1.298 1.00 0.00 C ATOM 228 O VAL A 20 7.118 -9.250 2.009 1.00 0.00 O ATOM 229 CB VAL A 20 4.282 -9.044 1.420 1.00 0.00 C ATOM 230 CG1 VAL A 20 3.928 -7.972 2.438 1.00 0.00 C ATOM 231 CG2 VAL A 20 3.056 -9.457 0.618 1.00 0.00 C ATOM 0 H VAL A 20 5.302 -10.440 -0.425 1.00 0.00 H new ATOM 0 HA VAL A 20 5.101 -7.608 0.032 1.00 0.00 H new ATOM 0 HB VAL A 20 4.644 -9.918 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.136 -8.338 3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.808 -7.732 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.586 -7.076 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.276 -9.800 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.690 -8.604 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.323 -10.263 -0.065 1.00 0.00 H new ATOM 241 N PRO A 21 7.290 -7.152 1.210 1.00 0.00 N ATOM 242 CA PRO A 21 8.519 -6.842 1.949 1.00 0.00 C ATOM 243 C PRO A 21 8.285 -6.761 3.454 1.00 0.00 C ATOM 244 O PRO A 21 7.216 -7.123 3.946 1.00 0.00 O ATOM 245 CB PRO A 21 8.935 -5.476 1.399 1.00 0.00 C ATOM 246 CG PRO A 21 7.672 -4.869 0.894 1.00 0.00 C ATOM 247 CD PRO A 21 6.838 -6.012 0.389 1.00 0.00 C ATOM 0 HA PRO A 21 9.276 -7.615 1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.388 -4.859 2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.671 -5.578 0.602 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.155 -4.328 1.686 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.874 -4.152 0.098 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.773 -5.821 0.519 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.003 -6.191 -0.673 1.00 0.00 H new ATOM 255 N GLU A 22 9.291 -6.284 4.179 1.00 0.00 N ATOM 256 CA GLU A 22 9.195 -6.155 5.628 1.00 0.00 C ATOM 257 C GLU A 22 8.902 -4.713 6.028 1.00 0.00 C ATOM 258 O GLU A 22 8.133 -4.460 6.956 1.00 0.00 O ATOM 259 CB GLU A 22 10.491 -6.627 6.290 1.00 0.00 C ATOM 260 CG GLU A 22 10.342 -6.931 7.772 1.00 0.00 C ATOM 261 CD GLU A 22 11.661 -7.288 8.429 1.00 0.00 C ATOM 262 OE1 GLU A 22 12.377 -6.362 8.865 1.00 0.00 O ATOM 263 OE2 GLU A 22 11.977 -8.494 8.507 1.00 0.00 O ATOM 0 H GLU A 22 10.182 -5.980 3.787 1.00 0.00 H new ATOM 0 HA GLU A 22 8.371 -6.782 5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.846 -7.522 5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.255 -5.861 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.912 -6.065 8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.641 -7.755 7.901 1.00 0.00 H new ATOM 270 N TRP A 23 9.518 -3.771 5.322 1.00 0.00 N ATOM 271 CA TRP A 23 9.323 -2.353 5.604 1.00 0.00 C ATOM 272 C TRP A 23 7.866 -1.952 5.392 1.00 0.00 C ATOM 273 O TRP A 23 7.353 -1.064 6.072 1.00 0.00 O ATOM 274 CB TRP A 23 10.234 -1.504 4.715 1.00 0.00 C ATOM 275 CG TRP A 23 10.076 -1.795 3.254 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.906 -2.547 2.474 1.00 0.00 C ATOM 277 CD2 TRP A 23 9.024 -1.336 2.396 1.00 0.00 C ATOM 278 NE1 TRP A 23 10.435 -2.585 1.183 1.00 0.00 N ATOM 279 CE2 TRP A 23 9.282 -1.849 1.111 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.891 -0.543 2.591 1.00 0.00 C ATOM 281 CZ2 TRP A 23 8.445 -1.595 0.027 1.00 0.00 C ATOM 282 CZ3 TRP A 23 7.062 -0.290 1.514 1.00 0.00 C ATOM 283 CH2 TRP A 23 7.342 -0.815 0.246 1.00 0.00 C ATOM 0 H TRP A 23 10.157 -3.963 4.550 1.00 0.00 H new ATOM 0 HA TRP A 23 9.581 -2.177 6.648 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.023 -0.449 4.893 1.00 0.00 H new ATOM 0 HB3 TRP A 23 11.272 -1.675 5.002 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.802 -3.040 2.820 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.872 -3.080 0.406 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.667 -0.135 3.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.659 -1.999 -0.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.184 0.323 1.653 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.674 -0.600 -0.575 1.00 0.00 H new ATOM 294 N LEU A 24 7.208 -2.611 4.444 1.00 0.00 N ATOM 295 CA LEU A 24 5.811 -2.323 4.144 1.00 0.00 C ATOM 296 C LEU A 24 4.909 -2.747 5.298 1.00 0.00 C ATOM 297 O LEU A 24 4.930 -3.902 5.724 1.00 0.00 O ATOM 298 CB LEU A 24 5.385 -3.037 2.859 1.00 0.00 C ATOM 299 CG LEU A 24 3.949 -2.759 2.411 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.829 -1.351 1.848 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.506 -3.786 1.379 1.00 0.00 C ATOM 0 H LEU A 24 7.620 -3.348 3.871 1.00 0.00 H new ATOM 0 HA LEU A 24 5.710 -1.247 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.063 -2.745 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.504 -4.111 3.001 1.00 0.00 H new ATOM 0 HG LEU A 24 3.295 -2.838 3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.801 -1.171 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.106 -0.628 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.494 -1.244 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.482 -3.574 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.164 -3.737 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.554 -4.784 1.815 1.00 0.00 H new ATOM 313 N ARG A 25 4.117 -1.805 5.800 1.00 0.00 N ATOM 314 CA ARG A 25 3.208 -2.080 6.906 1.00 0.00 C ATOM 315 C ARG A 25 2.341 -0.864 7.213 1.00 0.00 C ATOM 316 O ARG A 25 2.541 0.212 6.648 1.00 0.00 O ATOM 317 CB ARG A 25 3.996 -2.486 8.152 1.00 0.00 C ATOM 318 CG ARG A 25 5.045 -1.468 8.566 1.00 0.00 C ATOM 319 CD ARG A 25 5.321 -1.526 10.060 1.00 0.00 C ATOM 320 NE ARG A 25 5.927 -0.293 10.554 1.00 0.00 N ATOM 321 CZ ARG A 25 6.581 -0.198 11.710 1.00 0.00 C ATOM 322 NH1 ARG A 25 6.714 -1.262 12.494 1.00 0.00 N ATOM 323 NH2 ARG A 25 7.101 0.962 12.084 1.00 0.00 N ATOM 0 H ARG A 25 4.087 -0.844 5.458 1.00 0.00 H new ATOM 0 HA ARG A 25 2.557 -2.903 6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.301 -2.636 8.978 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.483 -3.443 7.968 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.969 -1.652 8.017 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.708 -0.467 8.296 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.389 -1.711 10.594 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.982 -2.366 10.274 1.00 0.00 H new ATOM 0 HE ARG A 25 5.844 0.546 9.979 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.314 -2.157 12.211 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.216 -1.184 13.379 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.000 1.782 11.486 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.602 1.035 12.970 1.00 0.00 H new ATOM 337 N GLU A 26 1.378 -1.040 8.112 1.00 0.00 N ATOM 338 CA GLU A 26 0.481 0.043 8.495 1.00 0.00 C ATOM 339 C GLU A 26 1.263 1.209 9.094 1.00 0.00 C ATOM 340 O GLU A 26 2.381 1.036 9.577 1.00 0.00 O ATOM 341 CB GLU A 26 -0.561 -0.458 9.498 1.00 0.00 C ATOM 342 CG GLU A 26 -1.879 -0.856 8.855 1.00 0.00 C ATOM 343 CD GLU A 26 -2.486 -2.091 9.491 1.00 0.00 C ATOM 344 OE1 GLU A 26 -1.718 -2.964 9.945 1.00 0.00 O ATOM 345 OE2 GLU A 26 -3.731 -2.185 9.533 1.00 0.00 O ATOM 0 H GLU A 26 1.199 -1.924 8.589 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.030 0.393 7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.154 -1.315 10.035 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.747 0.322 10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.583 -0.027 8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.720 -1.039 7.792 1.00 0.00 H new ATOM 352 N GLY A 27 0.666 2.396 9.057 1.00 0.00 N ATOM 353 CA GLY A 27 1.321 3.572 9.599 1.00 0.00 C ATOM 354 C GLY A 27 2.650 3.861 8.928 1.00 0.00 C ATOM 355 O GLY A 27 3.514 4.518 9.507 1.00 0.00 O ATOM 0 H GLY A 27 -0.259 2.564 8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.665 4.435 9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.481 3.434 10.668 1.00 0.00 H new ATOM 359 N GLU A 28 2.814 3.369 7.702 1.00 0.00 N ATOM 360 CA GLU A 28 4.047 3.580 6.954 1.00 0.00 C ATOM 361 C GLU A 28 3.773 4.327 5.652 1.00 0.00 C ATOM 362 O GLU A 28 2.768 4.081 4.985 1.00 0.00 O ATOM 363 CB GLU A 28 4.721 2.240 6.654 1.00 0.00 C ATOM 364 CG GLU A 28 6.237 2.282 6.762 1.00 0.00 C ATOM 365 CD GLU A 28 6.710 2.758 8.122 1.00 0.00 C ATOM 366 OE1 GLU A 28 5.968 2.570 9.108 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.824 3.318 8.200 1.00 0.00 O ATOM 0 H GLU A 28 2.109 2.823 7.208 1.00 0.00 H new ATOM 0 HA GLU A 28 4.715 4.186 7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.337 1.488 7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.446 1.922 5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.639 1.288 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.635 2.942 5.991 1.00 0.00 H new ATOM 374 N PHE A 29 4.671 5.240 5.299 1.00 0.00 N ATOM 375 CA PHE A 29 4.527 6.024 4.079 1.00 0.00 C ATOM 376 C PHE A 29 4.899 5.196 2.854 1.00 0.00 C ATOM 377 O PHE A 29 5.917 4.504 2.845 1.00 0.00 O ATOM 378 CB PHE A 29 5.403 7.275 4.149 1.00 0.00 C ATOM 379 CG PHE A 29 4.762 8.416 4.885 1.00 0.00 C ATOM 380 CD1 PHE A 29 3.688 9.098 4.335 1.00 0.00 C ATOM 381 CD2 PHE A 29 5.235 8.809 6.127 1.00 0.00 C ATOM 382 CE1 PHE A 29 3.097 10.149 5.010 1.00 0.00 C ATOM 383 CE2 PHE A 29 4.649 9.859 6.807 1.00 0.00 C ATOM 384 CZ PHE A 29 3.578 10.530 6.247 1.00 0.00 C ATOM 0 H PHE A 29 5.507 5.455 5.842 1.00 0.00 H new ATOM 0 HA PHE A 29 3.483 6.324 3.988 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.345 7.022 4.636 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.644 7.597 3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.309 8.805 3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.072 8.288 6.569 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.260 10.672 4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.027 10.155 7.774 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.118 11.351 6.776 1.00 0.00 H new ATOM 394 N VAL A 30 4.067 5.271 1.819 1.00 0.00 N ATOM 395 CA VAL A 30 4.311 4.529 0.588 1.00 0.00 C ATOM 396 C VAL A 30 3.919 5.349 -0.636 1.00 0.00 C ATOM 397 O VAL A 30 3.311 6.412 -0.514 1.00 0.00 O ATOM 398 CB VAL A 30 3.535 3.199 0.571 1.00 0.00 C ATOM 399 CG1 VAL A 30 4.042 2.270 1.665 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.042 3.449 0.722 1.00 0.00 C ATOM 0 H VAL A 30 3.219 5.838 1.809 1.00 0.00 H new ATOM 0 HA VAL A 30 5.380 4.318 0.553 1.00 0.00 H new ATOM 0 HB VAL A 30 3.703 2.714 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.482 1.335 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.100 2.064 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.908 2.745 2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.510 2.497 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.852 3.957 1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.692 4.072 -0.101 1.00 0.00 H new ATOM 410 N THR A 31 4.272 4.848 -1.815 1.00 0.00 N ATOM 411 CA THR A 31 3.957 5.534 -3.063 1.00 0.00 C ATOM 412 C THR A 31 2.860 4.800 -3.826 1.00 0.00 C ATOM 413 O THR A 31 2.362 3.767 -3.379 1.00 0.00 O ATOM 414 CB THR A 31 5.209 5.651 -3.933 1.00 0.00 C ATOM 415 OG1 THR A 31 5.530 4.403 -4.522 1.00 0.00 O ATOM 416 CG2 THR A 31 6.426 6.127 -3.170 1.00 0.00 C ATOM 0 H THR A 31 4.776 3.969 -1.933 1.00 0.00 H new ATOM 0 HA THR A 31 3.597 6.533 -2.819 1.00 0.00 H new ATOM 0 HB THR A 31 4.964 6.394 -4.692 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.041 4.551 -5.345 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.279 6.188 -3.846 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.228 7.112 -2.747 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.649 5.425 -2.367 1.00 0.00 H new ATOM 424 N VAL A 32 2.487 5.341 -4.983 1.00 0.00 N ATOM 425 CA VAL A 32 1.448 4.737 -5.809 1.00 0.00 C ATOM 426 C VAL A 32 1.942 4.516 -7.236 1.00 0.00 C ATOM 427 O VAL A 32 1.950 3.391 -7.733 1.00 0.00 O ATOM 428 CB VAL A 32 0.180 5.611 -5.846 1.00 0.00 C ATOM 429 CG1 VAL A 32 -0.942 4.895 -6.582 1.00 0.00 C ATOM 430 CG2 VAL A 32 -0.253 5.987 -4.437 1.00 0.00 C ATOM 0 H VAL A 32 2.889 6.196 -5.369 1.00 0.00 H new ATOM 0 HA VAL A 32 1.203 3.775 -5.358 1.00 0.00 H new ATOM 0 HB VAL A 32 0.411 6.529 -6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.829 5.528 -6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.629 4.683 -7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.173 3.960 -6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.150 6.604 -4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.465 5.082 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.546 6.545 -3.948 1.00 0.00 H new ATOM 440 N GLY A 33 2.352 5.599 -7.889 1.00 0.00 N ATOM 441 CA GLY A 33 2.841 5.503 -9.251 1.00 0.00 C ATOM 442 C GLY A 33 2.853 6.842 -9.960 1.00 0.00 C ATOM 443 O GLY A 33 2.086 7.064 -10.897 1.00 0.00 O ATOM 0 H GLY A 33 2.354 6.541 -7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.850 5.091 -9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.216 4.806 -9.809 1.00 0.00 H new ATOM 447 N ALA A 34 3.726 7.739 -9.512 1.00 0.00 N ATOM 448 CA ALA A 34 3.835 9.064 -10.109 1.00 0.00 C ATOM 449 C ALA A 34 2.518 9.827 -10.000 1.00 0.00 C ATOM 450 O ALA A 34 2.054 10.427 -10.970 1.00 0.00 O ATOM 451 CB ALA A 34 4.265 8.952 -11.565 1.00 0.00 C ATOM 0 H ALA A 34 4.368 7.572 -8.737 1.00 0.00 H new ATOM 0 HA ALA A 34 4.593 9.622 -9.559 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.343 9.949 -11.999 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.234 8.455 -11.621 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.527 8.372 -12.119 1.00 0.00 H new ATOM 457 N HIS A 35 1.922 9.802 -8.813 1.00 0.00 N ATOM 458 CA HIS A 35 0.659 10.492 -8.577 1.00 0.00 C ATOM 459 C HIS A 35 0.660 11.176 -7.213 1.00 0.00 C ATOM 460 O HIS A 35 0.673 12.403 -7.124 1.00 0.00 O ATOM 461 CB HIS A 35 -0.508 9.507 -8.670 1.00 0.00 C ATOM 462 CG HIS A 35 -1.360 9.703 -9.887 1.00 0.00 C ATOM 463 ND1 HIS A 35 -2.457 10.533 -9.931 1.00 0.00 N ATOM 464 CD2 HIS A 35 -1.255 9.155 -11.124 1.00 0.00 C ATOM 465 CE1 HIS A 35 -2.975 10.466 -11.165 1.00 0.00 C ATOM 466 NE2 HIS A 35 -2.281 9.644 -11.928 1.00 0.00 N ATOM 0 H HIS A 35 2.293 9.311 -7.999 1.00 0.00 H new ATOM 0 HA HIS A 35 0.540 11.257 -9.345 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.116 8.490 -8.671 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.130 9.608 -7.781 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.497 8.452 -11.435 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.847 11.013 -11.492 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -2.459 9.414 -12.906 1.00 0.00 H new ATOM 474 N LYS A 36 0.646 10.373 -6.154 1.00 0.00 N ATOM 475 CA LYS A 36 0.646 10.901 -4.795 1.00 0.00 C ATOM 476 C LYS A 36 1.076 9.832 -3.795 1.00 0.00 C ATOM 477 O LYS A 36 1.029 8.638 -4.090 1.00 0.00 O ATOM 478 CB LYS A 36 -0.744 11.425 -4.430 1.00 0.00 C ATOM 479 CG LYS A 36 -1.864 10.441 -4.728 1.00 0.00 C ATOM 480 CD LYS A 36 -2.588 10.793 -6.017 1.00 0.00 C ATOM 481 CE LYS A 36 -3.632 11.876 -5.794 1.00 0.00 C ATOM 482 NZ LYS A 36 -4.924 11.311 -5.317 1.00 0.00 N ATOM 0 H LYS A 36 0.635 9.355 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 36 1.361 11.723 -4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.762 11.673 -3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.929 12.350 -4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.454 9.434 -4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.574 10.435 -3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.866 11.130 -6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.068 9.902 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.259 12.595 -5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.795 12.420 -6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.706 11.920 -5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.051 10.356 -5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.919 11.262 -4.278 1.00 0.00 H new ATOM 496 N THR A 37 1.497 10.270 -2.613 1.00 0.00 N ATOM 497 CA THR A 37 1.936 9.350 -1.571 1.00 0.00 C ATOM 498 C THR A 37 0.866 9.198 -0.495 1.00 0.00 C ATOM 499 O THR A 37 0.253 10.177 -0.072 1.00 0.00 O ATOM 500 CB THR A 37 3.241 9.843 -0.943 1.00 0.00 C ATOM 501 OG1 THR A 37 3.050 11.090 -0.301 1.00 0.00 O ATOM 502 CG2 THR A 37 4.361 10.010 -1.947 1.00 0.00 C ATOM 0 H THR A 37 1.543 11.255 -2.353 1.00 0.00 H new ATOM 0 HA THR A 37 2.107 8.376 -2.029 1.00 0.00 H new ATOM 0 HB THR A 37 3.527 9.072 -0.228 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.896 11.387 0.095 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.258 10.362 -1.437 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.567 9.052 -2.424 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.066 10.737 -2.704 1.00 0.00 H new ATOM 510 N GLY A 38 0.647 7.962 -0.056 1.00 0.00 N ATOM 511 CA GLY A 38 -0.348 7.704 0.968 1.00 0.00 C ATOM 512 C GLY A 38 0.148 6.749 2.034 1.00 0.00 C ATOM 513 O GLY A 38 0.986 5.889 1.764 1.00 0.00 O ATOM 0 H GLY A 38 1.141 7.135 -0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.636 8.646 1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.243 7.291 0.504 1.00 0.00 H new ATOM 517 N VAL A 39 -0.371 6.899 3.248 1.00 0.00 N ATOM 518 CA VAL A 39 0.024 6.041 4.359 1.00 0.00 C ATOM 519 C VAL A 39 -0.779 4.746 4.366 1.00 0.00 C ATOM 520 O VAL A 39 -1.967 4.738 4.045 1.00 0.00 O ATOM 521 CB VAL A 39 -0.162 6.754 5.712 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.439 5.927 6.839 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.454 8.144 5.673 1.00 0.00 C ATOM 0 H VAL A 39 -1.066 7.606 3.487 1.00 0.00 H new ATOM 0 HA VAL A 39 1.080 5.810 4.220 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.230 6.861 5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.298 6.447 7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.054 4.956 6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.504 5.785 6.658 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.313 8.632 6.637 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.520 8.064 5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.028 8.734 4.894 1.00 0.00 H new ATOM 533 N VAL A 40 -0.123 3.650 4.733 1.00 0.00 N ATOM 534 CA VAL A 40 -0.776 2.347 4.781 1.00 0.00 C ATOM 535 C VAL A 40 -1.723 2.251 5.972 1.00 0.00 C ATOM 536 O VAL A 40 -1.340 2.532 7.107 1.00 0.00 O ATOM 537 CB VAL A 40 0.254 1.205 4.866 1.00 0.00 C ATOM 538 CG1 VAL A 40 -0.431 -0.145 4.719 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.334 1.381 3.810 1.00 0.00 C ATOM 0 H VAL A 40 0.861 3.638 5.002 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.346 2.245 3.857 1.00 0.00 H new ATOM 0 HB VAL A 40 0.728 1.240 5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.313 -0.939 4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.163 -0.270 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.934 -0.195 3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.053 0.565 3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.879 1.374 2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.845 2.331 3.967 1.00 0.00 H new ATOM 549 N ARG A 41 -2.962 1.852 5.705 1.00 0.00 N ATOM 550 CA ARG A 41 -3.966 1.718 6.755 1.00 0.00 C ATOM 551 C ARG A 41 -4.312 0.251 6.996 1.00 0.00 C ATOM 552 O ARG A 41 -4.648 -0.141 8.113 1.00 0.00 O ATOM 553 CB ARG A 41 -5.229 2.497 6.384 1.00 0.00 C ATOM 554 CG ARG A 41 -5.000 3.993 6.243 1.00 0.00 C ATOM 555 CD ARG A 41 -4.474 4.604 7.533 1.00 0.00 C ATOM 556 NE ARG A 41 -5.270 5.752 7.959 1.00 0.00 N ATOM 557 CZ ARG A 41 -6.439 5.651 8.589 1.00 0.00 C ATOM 558 NH1 ARG A 41 -6.952 4.457 8.862 1.00 0.00 N ATOM 559 NH2 ARG A 41 -7.097 6.746 8.945 1.00 0.00 N ATOM 0 H ARG A 41 -3.295 1.616 4.770 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.550 2.129 7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.624 2.108 5.445 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.990 2.324 7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.291 4.178 5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.934 4.480 5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.477 3.849 8.319 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.438 4.913 7.392 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.910 6.686 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.450 3.612 8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.848 4.385 9.345 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.708 7.665 8.736 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.992 6.669 9.427 1.00 0.00 H new ATOM 573 N TYR A 42 -4.226 -0.553 5.942 1.00 0.00 N ATOM 574 CA TYR A 42 -4.529 -1.976 6.041 1.00 0.00 C ATOM 575 C TYR A 42 -3.483 -2.807 5.307 1.00 0.00 C ATOM 576 O TYR A 42 -2.943 -2.383 4.285 1.00 0.00 O ATOM 577 CB TYR A 42 -5.918 -2.264 5.468 1.00 0.00 C ATOM 578 CG TYR A 42 -6.372 -3.693 5.666 1.00 0.00 C ATOM 579 CD1 TYR A 42 -5.889 -4.713 4.857 1.00 0.00 C ATOM 580 CD2 TYR A 42 -7.282 -4.020 6.663 1.00 0.00 C ATOM 581 CE1 TYR A 42 -6.302 -6.021 5.036 1.00 0.00 C ATOM 582 CE2 TYR A 42 -7.699 -5.325 6.847 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.207 -6.321 6.031 1.00 0.00 C ATOM 584 OH TYR A 42 -7.620 -7.622 6.211 1.00 0.00 O ATOM 0 H TYR A 42 -3.949 -0.244 5.010 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.513 -2.253 7.095 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.640 -1.594 5.935 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.916 -2.037 4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.180 -4.482 4.076 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.670 -3.243 7.305 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.917 -6.803 4.399 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -8.407 -5.563 7.627 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.258 -7.663 6.954 1.00 0.00 H new ATOM 594 N VAL A 43 -3.199 -3.993 5.837 1.00 0.00 N ATOM 595 CA VAL A 43 -2.216 -4.884 5.232 1.00 0.00 C ATOM 596 C VAL A 43 -2.544 -6.344 5.528 1.00 0.00 C ATOM 597 O VAL A 43 -2.288 -6.838 6.625 1.00 0.00 O ATOM 598 CB VAL A 43 -0.794 -4.577 5.735 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.235 -5.377 4.950 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.505 -3.087 5.644 1.00 0.00 C ATOM 0 H VAL A 43 -3.635 -4.359 6.683 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.256 -4.715 4.156 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.727 -4.872 6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.234 -5.147 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.039 -6.442 5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.170 -5.116 3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.505 -2.890 6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.590 -2.762 4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.222 -2.539 6.256 1.00 0.00 H new ATOM 610 N GLY A 44 -3.113 -7.029 4.540 1.00 0.00 N ATOM 611 CA GLY A 44 -3.466 -8.425 4.715 1.00 0.00 C ATOM 612 C GLY A 44 -4.362 -8.940 3.603 1.00 0.00 C ATOM 613 O GLY A 44 -4.964 -8.152 2.875 1.00 0.00 O ATOM 0 H GLY A 44 -3.335 -6.642 3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.557 -9.025 4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.971 -8.552 5.673 1.00 0.00 H new ATOM 617 N PRO A 45 -4.471 -10.270 3.448 1.00 0.00 N ATOM 618 CA PRO A 45 -5.307 -10.878 2.408 1.00 0.00 C ATOM 619 C PRO A 45 -6.742 -10.361 2.443 1.00 0.00 C ATOM 620 O PRO A 45 -7.065 -9.451 3.206 1.00 0.00 O ATOM 621 CB PRO A 45 -5.269 -12.371 2.744 1.00 0.00 C ATOM 622 CG PRO A 45 -4.000 -12.558 3.502 1.00 0.00 C ATOM 623 CD PRO A 45 -3.788 -11.284 4.272 1.00 0.00 C ATOM 0 HA PRO A 45 -4.944 -10.645 1.407 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.133 -12.664 3.340 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.284 -12.980 1.840 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.069 -13.414 4.174 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.166 -12.749 2.827 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.216 -11.343 5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.728 -11.058 4.391 1.00 0.00 H new ATOM 631 N ALA A 46 -7.598 -10.949 1.614 1.00 0.00 N ATOM 632 CA ALA A 46 -8.998 -10.548 1.551 1.00 0.00 C ATOM 633 C ALA A 46 -9.919 -11.762 1.607 1.00 0.00 C ATOM 634 O ALA A 46 -9.458 -12.900 1.683 1.00 0.00 O ATOM 635 CB ALA A 46 -9.259 -9.742 0.288 1.00 0.00 C ATOM 0 H ALA A 46 -7.347 -11.705 0.977 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.212 -9.923 2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.308 -9.449 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.633 -8.850 0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.023 -10.349 -0.586 1.00 0.00 H new ATOM 641 N ASP A 47 -11.224 -11.511 1.569 1.00 0.00 N ATOM 642 CA ASP A 47 -12.210 -12.583 1.615 1.00 0.00 C ATOM 643 C ASP A 47 -12.846 -12.800 0.244 1.00 0.00 C ATOM 644 O ASP A 47 -14.007 -13.195 0.143 1.00 0.00 O ATOM 645 CB ASP A 47 -13.293 -12.264 2.648 1.00 0.00 C ATOM 646 CG ASP A 47 -12.998 -12.880 4.003 1.00 0.00 C ATOM 647 OD1 ASP A 47 -11.928 -12.578 4.572 1.00 0.00 O ATOM 648 OD2 ASP A 47 -13.836 -13.665 4.493 1.00 0.00 O ATOM 0 H ASP A 47 -11.622 -10.574 1.506 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.698 -13.500 1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.382 -11.183 2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.255 -12.629 2.287 1.00 0.00 H new ATOM 653 N PHE A 48 -12.077 -12.537 -0.807 1.00 0.00 N ATOM 654 CA PHE A 48 -12.565 -12.703 -2.171 1.00 0.00 C ATOM 655 C PHE A 48 -11.422 -13.046 -3.121 1.00 0.00 C ATOM 656 O PHE A 48 -11.531 -13.964 -3.935 1.00 0.00 O ATOM 657 CB PHE A 48 -13.272 -11.431 -2.641 1.00 0.00 C ATOM 658 CG PHE A 48 -12.364 -10.237 -2.733 1.00 0.00 C ATOM 659 CD1 PHE A 48 -12.169 -9.412 -1.637 1.00 0.00 C ATOM 660 CD2 PHE A 48 -11.707 -9.940 -3.916 1.00 0.00 C ATOM 661 CE1 PHE A 48 -11.336 -8.313 -1.719 1.00 0.00 C ATOM 662 CE2 PHE A 48 -10.871 -8.843 -4.004 1.00 0.00 C ATOM 663 CZ PHE A 48 -10.685 -8.029 -2.904 1.00 0.00 C ATOM 0 H PHE A 48 -11.114 -12.208 -0.741 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.277 -13.528 -2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.719 -11.614 -3.618 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.088 -11.204 -1.955 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.674 -9.631 -0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -11.850 -10.573 -4.779 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -11.194 -7.677 -0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -10.364 -8.623 -4.932 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.032 -7.172 -2.970 1.00 0.00 H new ATOM 673 N GLN A 49 -10.325 -12.303 -3.012 1.00 0.00 N ATOM 674 CA GLN A 49 -9.162 -12.529 -3.861 1.00 0.00 C ATOM 675 C GLN A 49 -8.069 -13.273 -3.098 1.00 0.00 C ATOM 676 O GLN A 49 -8.149 -13.437 -1.881 1.00 0.00 O ATOM 677 CB GLN A 49 -8.620 -11.196 -4.384 1.00 0.00 C ATOM 678 CG GLN A 49 -9.095 -10.856 -5.787 1.00 0.00 C ATOM 679 CD GLN A 49 -8.329 -11.605 -6.860 1.00 0.00 C ATOM 680 OE1 GLN A 49 -8.768 -12.652 -7.337 1.00 0.00 O ATOM 681 NE2 GLN A 49 -7.174 -11.073 -7.243 1.00 0.00 N ATOM 0 H GLN A 49 -10.218 -11.540 -2.344 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.472 -13.143 -4.706 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.921 -10.399 -3.704 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.530 -11.228 -4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.156 -11.089 -5.874 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.990 -9.784 -5.952 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.848 -10.203 -6.821 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.613 -11.534 -7.959 1.00 0.00 H new ATOM 690 N GLU A 50 -7.049 -13.721 -3.824 1.00 0.00 N ATOM 691 CA GLU A 50 -5.940 -14.446 -3.215 1.00 0.00 C ATOM 692 C GLU A 50 -4.708 -13.556 -3.096 1.00 0.00 C ATOM 693 O GLU A 50 -4.674 -12.450 -3.634 1.00 0.00 O ATOM 694 CB GLU A 50 -5.607 -15.694 -4.037 1.00 0.00 C ATOM 695 CG GLU A 50 -6.323 -16.947 -3.557 1.00 0.00 C ATOM 696 CD GLU A 50 -5.719 -17.510 -2.285 1.00 0.00 C ATOM 697 OE1 GLU A 50 -5.258 -16.712 -1.442 1.00 0.00 O ATOM 698 OE2 GLU A 50 -5.708 -18.750 -2.132 1.00 0.00 O ATOM 0 H GLU A 50 -6.968 -13.595 -4.833 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.243 -14.750 -2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.869 -15.513 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.531 -15.865 -4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.375 -16.717 -3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.286 -17.705 -4.339 1.00 0.00 H new ATOM 705 N GLY A 51 -3.697 -14.047 -2.387 1.00 0.00 N ATOM 706 CA GLY A 51 -2.476 -13.282 -2.209 1.00 0.00 C ATOM 707 C GLY A 51 -2.560 -12.319 -1.041 1.00 0.00 C ATOM 708 O GLY A 51 -3.051 -12.674 0.030 1.00 0.00 O ATOM 0 H GLY A 51 -3.701 -14.960 -1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.642 -13.966 -2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.264 -12.724 -3.121 1.00 0.00 H new ATOM 712 N THR A 52 -2.079 -11.097 -1.248 1.00 0.00 N ATOM 713 CA THR A 52 -2.102 -10.080 -0.203 1.00 0.00 C ATOM 714 C THR A 52 -2.250 -8.685 -0.803 1.00 0.00 C ATOM 715 O THR A 52 -1.707 -8.397 -1.869 1.00 0.00 O ATOM 716 CB THR A 52 -0.826 -10.154 0.637 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.402 -11.498 0.787 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.986 -9.566 2.022 1.00 0.00 C ATOM 0 H THR A 52 -1.669 -10.787 -2.129 1.00 0.00 H new ATOM 0 HA THR A 52 -2.963 -10.273 0.438 1.00 0.00 H new ATOM 0 HB THR A 52 -0.088 -9.565 0.093 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.416 -11.525 1.326 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.044 -9.651 2.564 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.265 -8.515 1.941 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.764 -10.108 2.560 1.00 0.00 H new ATOM 726 N TRP A 53 -2.989 -7.824 -0.110 1.00 0.00 N ATOM 727 CA TRP A 53 -3.207 -6.459 -0.574 1.00 0.00 C ATOM 728 C TRP A 53 -2.590 -5.451 0.390 1.00 0.00 C ATOM 729 O TRP A 53 -2.072 -5.821 1.444 1.00 0.00 O ATOM 730 CB TRP A 53 -4.704 -6.184 -0.727 1.00 0.00 C ATOM 731 CG TRP A 53 -5.386 -7.117 -1.681 1.00 0.00 C ATOM 732 CD1 TRP A 53 -5.871 -8.362 -1.403 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.658 -6.879 -3.066 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.428 -8.914 -2.532 1.00 0.00 N ATOM 735 CE2 TRP A 53 -6.309 -8.022 -3.566 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.415 -5.810 -3.933 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.719 -8.126 -4.892 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -5.822 -5.914 -5.250 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.469 -7.064 -5.719 1.00 0.00 C ATOM 0 H TRP A 53 -3.446 -8.047 0.774 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.723 -6.350 -1.544 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.182 -6.262 0.250 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.844 -5.159 -1.070 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.824 -8.843 -0.437 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.859 -9.836 -2.591 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.918 -4.918 -3.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.217 -9.013 -5.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.638 -5.094 -5.929 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.777 -7.114 -6.753 1.00 0.00 H new ATOM 750 N VAL A 54 -2.649 -4.174 0.023 1.00 0.00 N ATOM 751 CA VAL A 54 -2.096 -3.114 0.855 1.00 0.00 C ATOM 752 C VAL A 54 -2.924 -1.838 0.743 1.00 0.00 C ATOM 753 O VAL A 54 -2.855 -1.129 -0.262 1.00 0.00 O ATOM 754 CB VAL A 54 -0.637 -2.799 0.472 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.015 -1.841 1.477 1.00 0.00 C ATOM 756 CG2 VAL A 54 0.176 -4.080 0.371 1.00 0.00 C ATOM 0 H VAL A 54 -3.075 -3.850 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.124 -3.475 1.883 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.633 -2.315 -0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.015 -1.631 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.584 -0.912 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.030 -2.294 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.204 -3.838 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.166 -4.594 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.258 -4.727 -0.391 1.00 0.00 H new ATOM 766 N GLY A 55 -3.707 -1.553 1.778 1.00 0.00 N ATOM 767 CA GLY A 55 -4.538 -0.364 1.774 1.00 0.00 C ATOM 768 C GLY A 55 -3.740 0.903 2.015 1.00 0.00 C ATOM 769 O GLY A 55 -3.007 1.004 2.998 1.00 0.00 O ATOM 0 H GLY A 55 -3.781 -2.125 2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.054 -0.288 0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.305 -0.458 2.543 1.00 0.00 H new ATOM 773 N VAL A 56 -3.884 1.871 1.115 1.00 0.00 N ATOM 774 CA VAL A 56 -3.171 3.137 1.236 1.00 0.00 C ATOM 775 C VAL A 56 -4.143 4.308 1.338 1.00 0.00 C ATOM 776 O VAL A 56 -5.124 4.379 0.598 1.00 0.00 O ATOM 777 CB VAL A 56 -2.233 3.369 0.036 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.356 4.589 0.270 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.382 2.134 -0.222 1.00 0.00 C ATOM 0 H VAL A 56 -4.487 1.803 0.295 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.577 3.080 2.148 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.843 3.554 -0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.701 4.736 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.985 5.469 0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.753 4.437 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.726 2.316 -1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.780 1.916 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.030 1.285 -0.438 1.00 0.00 H new ATOM 789 N GLU A 57 -3.863 5.223 2.260 1.00 0.00 N ATOM 790 CA GLU A 57 -4.712 6.391 2.459 1.00 0.00 C ATOM 791 C GLU A 57 -4.145 7.608 1.737 1.00 0.00 C ATOM 792 O GLU A 57 -3.015 8.025 1.996 1.00 0.00 O ATOM 793 CB GLU A 57 -4.858 6.693 3.952 1.00 0.00 C ATOM 794 CG GLU A 57 -6.043 7.587 4.280 1.00 0.00 C ATOM 795 CD GLU A 57 -5.701 8.662 5.292 1.00 0.00 C ATOM 796 OE1 GLU A 57 -5.668 8.350 6.502 1.00 0.00 O ATOM 797 OE2 GLU A 57 -5.465 9.816 4.877 1.00 0.00 O ATOM 0 H GLU A 57 -3.055 5.178 2.881 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.694 6.169 2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.961 5.754 4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.945 7.169 4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.403 8.057 3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.858 6.976 4.667 1.00 0.00 H new ATOM 804 N LEU A 58 -4.935 8.175 0.831 1.00 0.00 N ATOM 805 CA LEU A 58 -4.511 9.345 0.071 1.00 0.00 C ATOM 806 C LEU A 58 -5.190 10.607 0.592 1.00 0.00 C ATOM 807 O LEU A 58 -6.264 10.544 1.189 1.00 0.00 O ATOM 808 CB LEU A 58 -4.828 9.156 -1.414 1.00 0.00 C ATOM 809 CG LEU A 58 -4.438 7.795 -1.991 1.00 0.00 C ATOM 810 CD1 LEU A 58 -4.908 7.672 -3.432 1.00 0.00 C ATOM 811 CD2 LEU A 58 -2.932 7.591 -1.900 1.00 0.00 C ATOM 0 H LEU A 58 -5.873 7.843 0.605 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.434 9.457 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.898 9.304 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.317 9.934 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.927 7.018 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.622 6.697 -3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.992 7.775 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.447 8.456 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.671 6.617 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.424 8.374 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.621 7.636 -0.856 1.00 0.00 H new ATOM 823 N ASP A 59 -4.555 11.752 0.363 1.00 0.00 N ATOM 824 CA ASP A 59 -5.100 13.029 0.811 1.00 0.00 C ATOM 825 C ASP A 59 -5.845 13.736 -0.319 1.00 0.00 C ATOM 826 O ASP A 59 -5.990 14.957 -0.309 1.00 0.00 O ATOM 827 CB ASP A 59 -3.979 13.927 1.337 1.00 0.00 C ATOM 828 CG ASP A 59 -4.419 14.775 2.514 1.00 0.00 C ATOM 829 OD1 ASP A 59 -4.841 14.196 3.537 1.00 0.00 O ATOM 830 OD2 ASP A 59 -4.344 16.017 2.412 1.00 0.00 O ATOM 0 H ASP A 59 -3.664 11.822 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.808 12.829 1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.132 13.309 1.635 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.632 14.577 0.534 1.00 0.00 H new ATOM 835 N LEU A 60 -6.315 12.959 -1.291 1.00 0.00 N ATOM 836 CA LEU A 60 -7.045 13.514 -2.425 1.00 0.00 C ATOM 837 C LEU A 60 -7.976 12.469 -3.037 1.00 0.00 C ATOM 838 O LEU A 60 -7.700 11.271 -2.979 1.00 0.00 O ATOM 839 CB LEU A 60 -6.069 14.027 -3.486 1.00 0.00 C ATOM 840 CG LEU A 60 -5.263 15.261 -3.080 1.00 0.00 C ATOM 841 CD1 LEU A 60 -4.224 15.592 -4.140 1.00 0.00 C ATOM 842 CD2 LEU A 60 -6.186 16.448 -2.848 1.00 0.00 C ATOM 0 H LEU A 60 -6.203 11.945 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.649 14.347 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.375 13.225 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.629 14.259 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.744 15.041 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.660 16.473 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.544 14.749 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.723 15.792 -5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.595 17.317 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.733 16.668 -3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.892 16.210 -2.053 1.00 0.00 H new ATOM 854 N PRO A 61 -9.095 12.912 -3.635 1.00 0.00 N ATOM 855 CA PRO A 61 -10.068 12.009 -4.258 1.00 0.00 C ATOM 856 C PRO A 61 -9.534 11.376 -5.539 1.00 0.00 C ATOM 857 O PRO A 61 -9.444 12.032 -6.577 1.00 0.00 O ATOM 858 CB PRO A 61 -11.255 12.922 -4.568 1.00 0.00 C ATOM 859 CG PRO A 61 -10.660 14.280 -4.707 1.00 0.00 C ATOM 860 CD PRO A 61 -9.502 14.325 -3.749 1.00 0.00 C ATOM 0 HA PRO A 61 -10.318 11.170 -3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.762 12.616 -5.483 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.996 12.894 -3.769 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.327 14.457 -5.730 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.392 15.053 -4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.691 14.947 -4.128 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.795 14.737 -2.784 1.00 0.00 H new ATOM 868 N SER A 62 -9.180 10.098 -5.460 1.00 0.00 N ATOM 869 CA SER A 62 -8.656 9.375 -6.612 1.00 0.00 C ATOM 870 C SER A 62 -8.531 7.885 -6.310 1.00 0.00 C ATOM 871 O SER A 62 -7.710 7.475 -5.488 1.00 0.00 O ATOM 872 CB SER A 62 -7.293 9.940 -7.018 1.00 0.00 C ATOM 873 OG SER A 62 -7.117 9.888 -8.424 1.00 0.00 O ATOM 0 H SER A 62 -9.247 9.541 -4.608 1.00 0.00 H new ATOM 0 HA SER A 62 -9.356 9.502 -7.438 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.207 10.971 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.501 9.374 -6.528 1.00 0.00 H new ATOM 0 HG SER A 62 -6.239 10.256 -8.658 1.00 0.00 H new ATOM 879 N GLY A 63 -9.351 7.080 -6.978 1.00 0.00 N ATOM 880 CA GLY A 63 -9.316 5.645 -6.766 1.00 0.00 C ATOM 881 C GLY A 63 -10.568 4.955 -7.271 1.00 0.00 C ATOM 882 O GLY A 63 -11.150 5.366 -8.275 1.00 0.00 O ATOM 0 H GLY A 63 -10.039 7.396 -7.662 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.445 5.227 -7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.196 5.441 -5.702 1.00 0.00 H new ATOM 886 N LYS A 64 -10.984 3.903 -6.573 1.00 0.00 N ATOM 887 CA LYS A 64 -12.175 3.154 -6.956 1.00 0.00 C ATOM 888 C LYS A 64 -13.011 2.795 -5.732 1.00 0.00 C ATOM 889 O LYS A 64 -14.175 3.179 -5.629 1.00 0.00 O ATOM 890 CB LYS A 64 -11.783 1.884 -7.711 1.00 0.00 C ATOM 891 CG LYS A 64 -11.518 2.111 -9.190 1.00 0.00 C ATOM 892 CD LYS A 64 -11.836 0.871 -10.010 1.00 0.00 C ATOM 893 CE LYS A 64 -11.382 1.027 -11.453 1.00 0.00 C ATOM 894 NZ LYS A 64 -10.853 -0.249 -12.010 1.00 0.00 N ATOM 0 H LYS A 64 -10.514 3.550 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.776 3.786 -7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.890 1.460 -7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.579 1.147 -7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.121 2.947 -9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.473 2.387 -9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.347 0.004 -9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.909 0.681 -9.983 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.219 1.370 -12.062 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.611 1.795 -11.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.554 -0.100 -12.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.038 -0.563 -11.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.596 -0.976 -11.980 1.00 0.00 H new ATOM 908 N ASN A 65 -12.408 2.056 -4.807 1.00 0.00 N ATOM 909 CA ASN A 65 -13.097 1.644 -3.589 1.00 0.00 C ATOM 910 C ASN A 65 -12.942 2.693 -2.494 1.00 0.00 C ATOM 911 O ASN A 65 -11.827 3.043 -2.107 1.00 0.00 O ATOM 912 CB ASN A 65 -12.555 0.299 -3.102 1.00 0.00 C ATOM 913 CG ASN A 65 -11.045 0.295 -2.976 1.00 0.00 C ATOM 914 OD1 ASN A 65 -10.481 0.947 -2.096 1.00 0.00 O ATOM 915 ND2 ASN A 65 -10.379 -0.441 -3.859 1.00 0.00 N ATOM 0 H ASN A 65 -11.444 1.730 -4.877 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.157 1.540 -3.819 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.998 0.061 -2.135 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.861 -0.485 -3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.360 -0.481 -3.824 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.886 -0.966 -4.572 1.00 0.00 H new ATOM 922 N ASP A 66 -14.069 3.192 -1.995 1.00 0.00 N ATOM 923 CA ASP A 66 -14.058 4.202 -0.943 1.00 0.00 C ATOM 924 C ASP A 66 -13.847 3.558 0.424 1.00 0.00 C ATOM 925 O ASP A 66 -14.727 3.594 1.284 1.00 0.00 O ATOM 926 CB ASP A 66 -15.368 4.994 -0.953 1.00 0.00 C ATOM 927 CG ASP A 66 -16.588 4.094 -0.931 1.00 0.00 C ATOM 928 OD1 ASP A 66 -16.485 2.967 -0.404 1.00 0.00 O ATOM 929 OD2 ASP A 66 -17.647 4.517 -1.442 1.00 0.00 O ATOM 0 H ASP A 66 -15.001 2.913 -2.302 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.230 4.884 -1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.394 5.658 -0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.401 5.625 -1.841 1.00 0.00 H new ATOM 934 N GLY A 67 -12.671 2.968 0.616 1.00 0.00 N ATOM 935 CA GLY A 67 -12.362 2.323 1.879 1.00 0.00 C ATOM 936 C GLY A 67 -13.311 1.184 2.202 1.00 0.00 C ATOM 937 O GLY A 67 -13.413 0.761 3.353 1.00 0.00 O ATOM 0 H GLY A 67 -11.927 2.925 -0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.341 1.942 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.402 3.062 2.679 1.00 0.00 H new ATOM 941 N SER A 68 -14.009 0.685 1.185 1.00 0.00 N ATOM 942 CA SER A 68 -14.951 -0.410 1.371 1.00 0.00 C ATOM 943 C SER A 68 -15.242 -1.110 0.047 1.00 0.00 C ATOM 944 O SER A 68 -15.890 -0.547 -0.835 1.00 0.00 O ATOM 945 CB SER A 68 -16.254 0.107 1.984 1.00 0.00 C ATOM 946 OG SER A 68 -16.887 1.040 1.125 1.00 0.00 O ATOM 0 H SER A 68 -13.939 1.023 0.225 1.00 0.00 H new ATOM 0 HA SER A 68 -14.499 -1.132 2.051 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.926 -0.729 2.176 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.046 0.576 2.946 1.00 0.00 H new ATOM 0 HG SER A 68 -16.257 1.756 0.898 1.00 0.00 H new ATOM 952 N ILE A 69 -14.759 -2.342 -0.084 1.00 0.00 N ATOM 953 CA ILE A 69 -14.968 -3.118 -1.300 1.00 0.00 C ATOM 954 C ILE A 69 -16.117 -4.106 -1.129 1.00 0.00 C ATOM 955 O ILE A 69 -16.107 -4.932 -0.217 1.00 0.00 O ATOM 956 CB ILE A 69 -13.697 -3.890 -1.701 1.00 0.00 C ATOM 957 CG1 ILE A 69 -12.482 -2.961 -1.683 1.00 0.00 C ATOM 958 CG2 ILE A 69 -13.871 -4.518 -3.077 1.00 0.00 C ATOM 959 CD1 ILE A 69 -11.159 -3.695 -1.721 1.00 0.00 C ATOM 0 H ILE A 69 -14.221 -2.823 0.637 1.00 0.00 H new ATOM 0 HA ILE A 69 -15.216 -2.408 -2.089 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.531 -4.688 -0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.538 -2.286 -2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.520 -2.344 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.965 -5.060 -3.347 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -14.715 -5.208 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.059 -3.736 -3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.342 -2.974 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.081 -4.350 -0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.100 -4.291 -2.632 1.00 0.00 H new ATOM 971 N GLY A 70 -17.105 -4.016 -2.013 1.00 0.00 N ATOM 972 CA GLY A 70 -18.247 -4.908 -1.941 1.00 0.00 C ATOM 973 C GLY A 70 -19.058 -4.712 -0.676 1.00 0.00 C ATOM 974 O GLY A 70 -19.822 -3.754 -0.561 1.00 0.00 O ATOM 0 H GLY A 70 -17.135 -3.342 -2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.887 -4.744 -2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.901 -5.940 -1.991 1.00 0.00 H new ATOM 978 N GLY A 71 -18.892 -5.623 0.278 1.00 0.00 N ATOM 979 CA GLY A 71 -19.620 -5.529 1.529 1.00 0.00 C ATOM 980 C GLY A 71 -18.708 -5.593 2.739 1.00 0.00 C ATOM 981 O GLY A 71 -19.116 -6.041 3.810 1.00 0.00 O ATOM 0 H GLY A 71 -18.266 -6.425 0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.181 -4.594 1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.348 -6.339 1.584 1.00 0.00 H new ATOM 985 N LYS A 72 -17.468 -5.144 2.567 1.00 0.00 N ATOM 986 CA LYS A 72 -16.495 -5.152 3.652 1.00 0.00 C ATOM 987 C LYS A 72 -15.753 -3.822 3.728 1.00 0.00 C ATOM 988 O LYS A 72 -15.407 -3.233 2.703 1.00 0.00 O ATOM 989 CB LYS A 72 -15.498 -6.296 3.462 1.00 0.00 C ATOM 990 CG LYS A 72 -14.502 -6.429 4.604 1.00 0.00 C ATOM 991 CD LYS A 72 -14.629 -7.774 5.304 1.00 0.00 C ATOM 992 CE LYS A 72 -15.932 -7.880 6.081 1.00 0.00 C ATOM 993 NZ LYS A 72 -15.697 -8.093 7.535 1.00 0.00 N ATOM 0 H LYS A 72 -17.114 -4.770 1.686 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.033 -5.300 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.047 -7.232 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.953 -6.141 2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.489 -6.313 4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.664 -5.627 5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.578 -8.575 4.566 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.788 -7.912 5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.515 -6.970 5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.525 -8.705 5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.610 -8.160 8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.163 -8.974 7.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.154 -7.294 7.920 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.511 -3.353 4.948 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.809 -2.092 5.157 1.00 0.00 C ATOM 1009 C GLN A 73 -13.408 -2.335 5.710 1.00 0.00 C ATOM 1010 O GLN A 73 -13.247 -2.853 6.815 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.601 -1.196 6.112 1.00 0.00 C ATOM 1012 CG GLN A 73 -15.633 0.264 5.690 1.00 0.00 C ATOM 1013 CD GLN A 73 -15.741 1.210 6.870 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -15.730 0.784 8.025 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -15.848 2.502 6.585 1.00 0.00 N ATOM 0 H GLN A 73 -15.791 -3.827 5.807 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.717 -1.591 4.193 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.623 -1.568 6.182 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.166 -1.268 7.109 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -14.730 0.495 5.125 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -16.478 0.426 5.020 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.853 2.811 5.613 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.925 3.186 7.338 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.398 -1.958 4.934 1.00 0.00 N ATOM 1025 CA TYR A 74 -11.010 -2.134 5.347 1.00 0.00 C ATOM 1026 C TYR A 74 -10.591 -1.044 6.328 1.00 0.00 C ATOM 1027 O TYR A 74 -10.399 -1.304 7.516 1.00 0.00 O ATOM 1028 CB TYR A 74 -10.088 -2.120 4.126 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.089 -3.418 3.350 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -11.216 -3.830 2.652 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -8.962 -4.231 3.317 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -11.221 -5.016 1.941 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -8.960 -5.416 2.609 1.00 0.00 C ATOM 1034 CZ TYR A 74 -10.091 -5.805 1.922 1.00 0.00 C ATOM 1035 OH TYR A 74 -10.092 -6.986 1.216 1.00 0.00 O ATOM 0 H TYR A 74 -12.514 -1.529 4.016 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.925 -3.099 5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.390 -1.310 3.462 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.071 -1.902 4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.103 -3.214 2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.074 -3.931 3.854 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.106 -5.323 1.403 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.076 -6.036 2.593 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.999 -7.357 1.201 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.451 0.178 5.824 1.00 0.00 N ATOM 1046 CA PHE A 75 -10.056 1.309 6.656 1.00 0.00 C ATOM 1047 C PHE A 75 -11.113 2.408 6.618 1.00 0.00 C ATOM 1048 O PHE A 75 -11.880 2.512 5.661 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.708 1.864 6.191 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.653 2.154 4.717 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -9.236 3.300 4.201 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -8.019 1.280 3.850 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -9.187 3.569 2.847 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -7.967 1.543 2.494 1.00 0.00 C ATOM 1055 CZ PHE A 75 -8.552 2.690 1.992 1.00 0.00 C ATOM 0 H PHE A 75 -10.605 0.410 4.843 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.961 0.957 7.683 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.492 2.780 6.741 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.924 1.149 6.442 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.734 3.991 4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.560 0.383 4.238 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.645 4.466 2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.470 0.853 1.828 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.513 2.899 0.933 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.147 3.226 7.665 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.110 4.317 7.751 1.00 0.00 C ATOM 1067 C ARG A 76 -11.527 5.604 7.179 1.00 0.00 C ATOM 1068 O ARG A 76 -10.636 6.212 7.772 1.00 0.00 O ATOM 1069 CB ARG A 76 -12.533 4.538 9.205 1.00 0.00 C ATOM 1070 CG ARG A 76 -13.757 5.427 9.352 1.00 0.00 C ATOM 1071 CD ARG A 76 -13.809 6.083 10.724 1.00 0.00 C ATOM 1072 NE ARG A 76 -14.800 5.456 11.594 1.00 0.00 N ATOM 1073 CZ ARG A 76 -14.822 5.599 12.916 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -13.910 6.347 13.526 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -15.759 4.994 13.633 1.00 0.00 N ATOM 0 H ARG A 76 -10.519 3.154 8.465 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.985 4.043 7.162 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.738 3.572 9.666 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.703 4.983 9.753 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.744 6.196 8.580 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.659 4.835 9.196 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.826 6.023 11.192 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -14.044 7.141 10.611 1.00 0.00 H new ATOM 0 HE ARG A 76 -15.518 4.874 11.162 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.187 6.816 12.980 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.932 6.453 14.540 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.463 4.419 13.171 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.776 5.104 14.647 1.00 0.00 H new ATOM 1089 N CYS A 77 -12.035 6.015 6.021 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.564 7.231 5.369 1.00 0.00 C ATOM 1091 C CYS A 77 -12.641 7.813 4.459 1.00 0.00 C ATOM 1092 O CYS A 77 -13.674 7.185 4.222 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.298 6.944 4.560 1.00 0.00 C ATOM 1094 SG CYS A 77 -9.143 8.333 4.478 1.00 0.00 S ATOM 0 H CYS A 77 -12.772 5.524 5.516 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.334 7.962 6.144 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -9.787 6.086 4.997 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.584 6.663 3.546 1.00 0.00 H new ATOM 0 HG CYS A 77 -8.723 8.476 3.256 1.00 0.00 H new ATOM 1100 N ASN A 78 -12.395 9.017 3.952 1.00 0.00 N ATOM 1101 CA ASN A 78 -13.345 9.683 3.069 1.00 0.00 C ATOM 1102 C ASN A 78 -13.329 9.055 1.678 1.00 0.00 C ATOM 1103 O ASN A 78 -12.294 8.571 1.219 1.00 0.00 O ATOM 1104 CB ASN A 78 -13.023 11.175 2.972 1.00 0.00 C ATOM 1105 CG ASN A 78 -13.724 11.989 4.041 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -13.084 12.707 4.811 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -15.046 11.881 4.095 1.00 0.00 N ATOM 0 H ASN A 78 -11.546 9.551 4.138 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.342 9.560 3.491 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.946 11.318 3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.315 11.544 1.989 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -15.572 12.405 4.794 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.535 11.274 3.437 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.481 9.055 0.985 1.00 0.00 N ATOM 1115 CA PRO A 79 -14.592 8.482 -0.361 1.00 0.00 C ATOM 1116 C PRO A 79 -13.542 9.040 -1.315 1.00 0.00 C ATOM 1117 O PRO A 79 -13.469 10.248 -1.537 1.00 0.00 O ATOM 1118 CB PRO A 79 -15.996 8.896 -0.811 1.00 0.00 C ATOM 1119 CG PRO A 79 -16.756 9.095 0.454 1.00 0.00 C ATOM 1120 CD PRO A 79 -15.762 9.612 1.457 1.00 0.00 C ATOM 0 HA PRO A 79 -14.432 7.404 -0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.968 9.810 -1.404 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.455 8.127 -1.432 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -17.572 9.804 0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.202 8.160 0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.743 10.702 1.479 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.998 9.277 2.467 1.00 0.00 H new ATOM 1128 N GLY A 80 -12.729 8.151 -1.877 1.00 0.00 N ATOM 1129 CA GLY A 80 -11.693 8.573 -2.800 1.00 0.00 C ATOM 1130 C GLY A 80 -10.347 8.748 -2.123 1.00 0.00 C ATOM 1131 O GLY A 80 -9.303 8.641 -2.766 1.00 0.00 O ATOM 0 H GLY A 80 -12.770 7.146 -1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.601 7.837 -3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.987 9.514 -3.265 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.372 9.020 -0.822 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.144 9.211 -0.057 1.00 0.00 C ATOM 1137 C TYR A 81 -8.644 7.885 0.508 1.00 0.00 C ATOM 1138 O TYR A 81 -8.390 7.764 1.707 1.00 0.00 O ATOM 1139 CB TYR A 81 -9.378 10.211 1.077 1.00 0.00 C ATOM 1140 CG TYR A 81 -9.845 11.569 0.601 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -11.150 11.762 0.167 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -8.980 12.656 0.589 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -11.580 13.001 -0.268 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -9.404 13.899 0.156 1.00 0.00 C ATOM 1145 CZ TYR A 81 -10.704 14.066 -0.272 1.00 0.00 C ATOM 1146 OH TYR A 81 -11.128 15.301 -0.703 1.00 0.00 O ATOM 0 H TYR A 81 -11.228 9.113 -0.276 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.382 9.607 -0.728 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.119 9.802 1.764 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.453 10.331 1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.839 10.931 0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.961 12.528 0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.598 13.135 -0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.720 14.735 0.153 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.388 15.941 -0.641 1.00 0.00 H new ATOM 1156 N GLY A 82 -8.502 6.891 -0.363 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.032 5.589 0.068 1.00 0.00 C ATOM 1158 C GLY A 82 -8.281 4.510 -0.967 1.00 0.00 C ATOM 1159 O GLY A 82 -9.394 4.372 -1.475 1.00 0.00 O ATOM 0 H GLY A 82 -8.704 6.965 -1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.964 5.644 0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.529 5.317 0.999 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.243 3.743 -1.281 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.353 2.670 -2.263 1.00 0.00 C ATOM 1165 C LEU A 83 -6.446 1.501 -1.895 1.00 0.00 C ATOM 1166 O LEU A 83 -5.427 1.678 -1.226 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.996 3.188 -3.658 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.057 2.143 -4.773 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -8.492 1.700 -5.011 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -6.447 2.694 -6.052 1.00 0.00 C ATOM 0 H LEU A 83 -6.315 3.844 -0.870 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.385 2.319 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.672 4.005 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.990 3.605 -3.627 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.478 1.273 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.516 0.956 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.895 1.265 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.095 2.561 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.499 1.937 -6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.999 3.580 -6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.405 2.960 -5.873 1.00 0.00 H new ATOM 1182 N LEU A 84 -6.822 0.305 -2.337 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.042 -0.894 -2.054 1.00 0.00 C ATOM 1184 C LEU A 84 -5.284 -1.356 -3.295 1.00 0.00 C ATOM 1185 O LEU A 84 -5.817 -1.333 -4.404 1.00 0.00 O ATOM 1186 CB LEU A 84 -6.955 -2.015 -1.553 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.223 -2.007 -0.046 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -8.654 -2.431 0.245 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.238 -2.917 0.673 1.00 0.00 C ATOM 0 H LEU A 84 -7.662 0.141 -2.892 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.317 -0.651 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.909 -1.948 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.510 -2.973 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.086 -0.991 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.825 -2.419 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.344 -1.740 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.820 -3.438 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.442 -2.900 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.344 -3.935 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.221 -2.568 0.492 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.038 -1.776 -3.099 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.207 -2.243 -4.201 1.00 0.00 C ATOM 1203 C VAL A 85 -2.230 -3.317 -3.735 1.00 0.00 C ATOM 1204 O VAL A 85 -1.795 -3.317 -2.584 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.415 -1.087 -4.839 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.338 -0.187 -5.647 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.682 -0.290 -3.771 1.00 0.00 C ATOM 0 H VAL A 85 -3.582 -1.802 -2.187 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.880 -2.666 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.674 -1.510 -5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.760 0.624 -6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.812 -0.768 -6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.104 0.229 -4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.128 0.523 -4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.403 0.122 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.989 -0.943 -3.241 1.00 0.00 H new ATOM 1217 N ARG A 86 -1.890 -4.232 -4.638 1.00 0.00 N ATOM 1218 CA ARG A 86 -0.964 -5.313 -4.318 1.00 0.00 C ATOM 1219 C ARG A 86 0.415 -4.761 -3.963 1.00 0.00 C ATOM 1220 O ARG A 86 0.771 -3.653 -4.363 1.00 0.00 O ATOM 1221 CB ARG A 86 -0.850 -6.280 -5.497 1.00 0.00 C ATOM 1222 CG ARG A 86 -2.178 -6.889 -5.914 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.626 -7.969 -4.941 1.00 0.00 C ATOM 1224 NE ARG A 86 -2.346 -9.311 -5.445 1.00 0.00 N ATOM 1225 CZ ARG A 86 -3.098 -9.934 -6.349 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -4.175 -9.342 -6.850 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -2.771 -11.154 -6.755 1.00 0.00 N ATOM 0 H ARG A 86 -2.241 -4.246 -5.596 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.355 -5.849 -3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.418 -5.753 -6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.159 -7.081 -5.234 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.937 -6.108 -5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.087 -7.314 -6.914 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.121 -7.828 -3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.695 -7.868 -4.754 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.527 -9.799 -5.083 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.431 -8.404 -6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.747 -9.825 -7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.944 -11.614 -6.374 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.347 -11.632 -7.448 1.00 0.00 H new ATOM 1241 N PRO A 87 1.213 -5.532 -3.204 1.00 0.00 N ATOM 1242 CA PRO A 87 2.559 -5.115 -2.798 1.00 0.00 C ATOM 1243 C PRO A 87 3.407 -4.668 -3.982 1.00 0.00 C ATOM 1244 O PRO A 87 4.204 -3.736 -3.875 1.00 0.00 O ATOM 1245 CB PRO A 87 3.148 -6.376 -2.163 1.00 0.00 C ATOM 1246 CG PRO A 87 1.966 -7.153 -1.697 1.00 0.00 C ATOM 1247 CD PRO A 87 0.868 -6.869 -2.685 1.00 0.00 C ATOM 0 HA PRO A 87 2.534 -4.257 -2.126 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.736 -6.944 -2.883 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.811 -6.129 -1.334 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.190 -8.219 -1.659 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.673 -6.852 -0.691 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.840 -7.614 -3.480 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.112 -6.875 -2.209 1.00 0.00 H new ATOM 1255 N SER A 88 3.227 -5.340 -5.112 1.00 0.00 N ATOM 1256 CA SER A 88 3.971 -5.017 -6.324 1.00 0.00 C ATOM 1257 C SER A 88 3.682 -3.589 -6.777 1.00 0.00 C ATOM 1258 O SER A 88 4.507 -2.960 -7.440 1.00 0.00 O ATOM 1259 CB SER A 88 3.618 -6.000 -7.441 1.00 0.00 C ATOM 1260 OG SER A 88 2.258 -5.876 -7.820 1.00 0.00 O ATOM 0 H SER A 88 2.571 -6.114 -5.215 1.00 0.00 H new ATOM 0 HA SER A 88 5.035 -5.099 -6.100 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.257 -5.818 -8.305 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.814 -7.019 -7.108 1.00 0.00 H new ATOM 0 HG SER A 88 2.059 -6.514 -8.537 1.00 0.00 H new ATOM 1266 N ARG A 89 2.506 -3.083 -6.418 1.00 0.00 N ATOM 1267 CA ARG A 89 2.111 -1.730 -6.790 1.00 0.00 C ATOM 1268 C ARG A 89 2.382 -0.748 -5.653 1.00 0.00 C ATOM 1269 O ARG A 89 1.690 0.261 -5.515 1.00 0.00 O ATOM 1270 CB ARG A 89 0.628 -1.695 -7.164 1.00 0.00 C ATOM 1271 CG ARG A 89 0.349 -2.150 -8.587 1.00 0.00 C ATOM 1272 CD ARG A 89 0.262 -0.970 -9.542 1.00 0.00 C ATOM 1273 NE ARG A 89 -0.527 -1.284 -10.730 1.00 0.00 N ATOM 1274 CZ ARG A 89 -0.076 -2.013 -11.748 1.00 0.00 C ATOM 1275 NH1 ARG A 89 1.156 -2.507 -11.726 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -0.859 -2.252 -12.791 1.00 0.00 N ATOM 0 H ARG A 89 1.811 -3.590 -5.870 1.00 0.00 H new ATOM 0 HA ARG A 89 2.706 -1.431 -7.653 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.072 -2.329 -6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.253 -0.679 -7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.138 -2.827 -8.915 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.585 -2.711 -8.614 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.182 -0.119 -9.026 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.267 -0.672 -9.842 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.480 -0.923 -10.783 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.763 -2.329 -10.926 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.496 -3.065 -12.509 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.807 -1.877 -12.813 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.513 -2.811 -13.571 1.00 0.00 H new ATOM 1290 N VAL A 90 3.392 -1.048 -4.842 1.00 0.00 N ATOM 1291 CA VAL A 90 3.752 -0.190 -3.721 1.00 0.00 C ATOM 1292 C VAL A 90 5.265 -0.077 -3.579 1.00 0.00 C ATOM 1293 O VAL A 90 5.980 -1.077 -3.637 1.00 0.00 O ATOM 1294 CB VAL A 90 3.161 -0.715 -2.398 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.361 0.301 -1.284 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.687 -1.050 -2.567 1.00 0.00 C ATOM 0 H VAL A 90 3.975 -1.879 -4.941 1.00 0.00 H new ATOM 0 HA VAL A 90 3.335 0.795 -3.931 1.00 0.00 H new ATOM 0 HB VAL A 90 3.687 -1.629 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.937 -0.087 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.426 0.485 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.863 1.234 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.287 -1.419 -1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.142 -0.155 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.574 -1.817 -3.333 1.00 0.00 H new ATOM 1306 N ARG A 91 5.747 1.148 -3.393 1.00 0.00 N ATOM 1307 CA ARG A 91 7.177 1.392 -3.243 1.00 0.00 C ATOM 1308 C ARG A 91 7.455 2.257 -2.018 1.00 0.00 C ATOM 1309 O ARG A 91 6.581 2.986 -1.548 1.00 0.00 O ATOM 1310 CB ARG A 91 7.734 2.069 -4.497 1.00 0.00 C ATOM 1311 CG ARG A 91 8.300 1.092 -5.515 1.00 0.00 C ATOM 1312 CD ARG A 91 9.045 1.814 -6.626 1.00 0.00 C ATOM 1313 NE ARG A 91 10.130 1.004 -7.174 1.00 0.00 N ATOM 1314 CZ ARG A 91 9.946 -0.005 -8.021 1.00 0.00 C ATOM 1315 NH1 ARG A 91 8.723 -0.332 -8.420 1.00 0.00 N ATOM 1316 NH2 ARG A 91 10.989 -0.690 -8.472 1.00 0.00 N ATOM 0 H ARG A 91 5.168 1.987 -3.343 1.00 0.00 H new ATOM 0 HA ARG A 91 7.673 0.431 -3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.942 2.653 -4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.516 2.770 -4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.974 0.395 -5.017 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.490 0.501 -5.943 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.347 2.072 -7.423 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.450 2.750 -6.242 1.00 0.00 H new ATOM 0 HE ARG A 91 11.085 1.225 -6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.918 0.192 -8.077 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.589 -1.107 -9.070 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.931 -0.443 -8.169 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.849 -1.464 -9.121 1.00 0.00 H new ATOM 1330 N ARG A 92 8.678 2.173 -1.505 1.00 0.00 N ATOM 1331 CA ARG A 92 9.072 2.948 -0.335 1.00 0.00 C ATOM 1332 C ARG A 92 9.199 4.429 -0.682 1.00 0.00 C ATOM 1333 O ARG A 92 10.124 4.833 -1.386 1.00 0.00 O ATOM 1334 CB ARG A 92 10.395 2.424 0.228 1.00 0.00 C ATOM 1335 CG ARG A 92 10.288 1.915 1.656 1.00 0.00 C ATOM 1336 CD ARG A 92 11.658 1.779 2.302 1.00 0.00 C ATOM 1337 NE ARG A 92 12.269 0.482 2.019 1.00 0.00 N ATOM 1338 CZ ARG A 92 13.301 -0.014 2.699 1.00 0.00 C ATOM 1339 NH1 ARG A 92 13.838 0.672 3.700 1.00 0.00 N ATOM 1340 NH2 ARG A 92 13.797 -1.202 2.377 1.00 0.00 N ATOM 0 H ARG A 92 9.414 1.575 -1.882 1.00 0.00 H new ATOM 0 HA ARG A 92 8.296 2.838 0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.758 1.618 -0.410 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.138 3.221 0.190 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.674 2.599 2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.784 0.949 1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.310 2.574 1.940 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.565 1.909 3.380 1.00 0.00 H new ATOM 0 HE ARG A 92 11.883 -0.075 1.257 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.460 1.585 3.953 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.628 0.286 4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.388 -1.734 1.609 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.587 -1.583 2.897 1.00 0.00 H new ATOM 1354 N ALA A 93 8.264 5.231 -0.184 1.00 0.00 N ATOM 1355 CA ALA A 93 8.273 6.666 -0.442 1.00 0.00 C ATOM 1356 C ALA A 93 9.224 7.389 0.507 1.00 0.00 C ATOM 1357 O ALA A 93 10.294 7.842 0.101 1.00 0.00 O ATOM 1358 CB ALA A 93 6.865 7.231 -0.318 1.00 0.00 C ATOM 0 H ALA A 93 7.491 4.912 0.400 1.00 0.00 H new ATOM 0 HA ALA A 93 8.629 6.827 -1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.885 8.303 -0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.212 6.743 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.489 7.052 0.689 1.00 0.00 H new ATOM 1364 N THR A 94 8.826 7.493 1.771 1.00 0.00 N ATOM 1365 CA THR A 94 9.641 8.162 2.782 1.00 0.00 C ATOM 1366 C THR A 94 10.072 9.550 2.312 1.00 0.00 C ATOM 1367 O THR A 94 11.116 10.059 2.721 1.00 0.00 O ATOM 1368 CB THR A 94 10.874 7.317 3.120 1.00 0.00 C ATOM 1369 OG1 THR A 94 11.013 6.240 2.209 1.00 0.00 O ATOM 1370 CG2 THR A 94 10.833 6.731 4.516 1.00 0.00 C ATOM 0 H THR A 94 7.943 7.122 2.121 1.00 0.00 H new ATOM 0 HA THR A 94 9.032 8.278 3.679 1.00 0.00 H new ATOM 0 HB THR A 94 11.719 8.003 3.053 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.807 5.715 2.442 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.735 6.144 4.691 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.777 7.537 5.247 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.958 6.089 4.616 1.00 0.00 H new ATOM 1378 N SER A 95 9.260 10.157 1.451 1.00 0.00 N ATOM 1379 CA SER A 95 9.558 11.485 0.927 1.00 0.00 C ATOM 1380 C SER A 95 8.324 12.104 0.279 1.00 0.00 C ATOM 1381 O SER A 95 7.215 11.587 0.414 1.00 0.00 O ATOM 1382 CB SER A 95 10.699 11.411 -0.090 1.00 0.00 C ATOM 1383 OG SER A 95 11.723 10.536 0.354 1.00 0.00 O ATOM 0 H SER A 95 8.392 9.751 1.102 1.00 0.00 H new ATOM 0 HA SER A 95 9.864 12.117 1.761 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.313 11.067 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 95 11.112 12.407 -0.251 1.00 0.00 H new ATOM 0 HG SER A 95 11.945 10.739 1.287 1.00 0.00 H new ATOM 1389 N GLY A 96 8.524 13.213 -0.425 1.00 0.00 N ATOM 1390 CA GLY A 96 7.418 13.883 -1.084 1.00 0.00 C ATOM 1391 C GLY A 96 7.847 15.157 -1.786 1.00 0.00 C ATOM 1392 O GLY A 96 9.042 15.401 -1.959 1.00 0.00 O ATOM 0 H GLY A 96 9.432 13.660 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.968 13.206 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.649 14.119 -0.348 1.00 0.00 H new ATOM 1396 N PRO A 97 6.887 15.999 -2.208 1.00 0.00 N ATOM 1397 CA PRO A 97 7.188 17.258 -2.898 1.00 0.00 C ATOM 1398 C PRO A 97 7.827 18.287 -1.971 1.00 0.00 C ATOM 1399 O PRO A 97 7.180 19.246 -1.549 1.00 0.00 O ATOM 1400 CB PRO A 97 5.814 17.741 -3.370 1.00 0.00 C ATOM 1401 CG PRO A 97 4.847 17.120 -2.423 1.00 0.00 C ATOM 1402 CD PRO A 97 5.436 15.790 -2.044 1.00 0.00 C ATOM 0 HA PRO A 97 7.906 17.120 -3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.748 18.829 -3.347 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.617 17.431 -4.396 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.703 17.748 -1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.869 16.996 -2.889 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.183 15.516 -1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.070 14.990 -2.688 1.00 0.00 H new ATOM 1410 N SER A 98 9.103 18.080 -1.657 1.00 0.00 N ATOM 1411 CA SER A 98 9.830 18.989 -0.781 1.00 0.00 C ATOM 1412 C SER A 98 11.287 19.114 -1.216 1.00 0.00 C ATOM 1413 O SER A 98 11.774 20.213 -1.482 1.00 0.00 O ATOM 1414 CB SER A 98 9.759 18.502 0.667 1.00 0.00 C ATOM 1415 OG SER A 98 9.579 19.585 1.563 1.00 0.00 O ATOM 0 H SER A 98 9.653 17.291 -1.997 1.00 0.00 H new ATOM 0 HA SER A 98 9.363 19.971 -0.850 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.936 17.796 0.776 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.674 17.966 0.919 1.00 0.00 H new ATOM 0 HG SER A 98 9.535 19.246 2.481 1.00 0.00 H new ATOM 1421 N SER A 99 11.978 17.981 -1.286 1.00 0.00 N ATOM 1422 CA SER A 99 13.379 17.963 -1.690 1.00 0.00 C ATOM 1423 C SER A 99 13.509 17.761 -3.195 1.00 0.00 C ATOM 1424 O SER A 99 14.338 18.396 -3.848 1.00 0.00 O ATOM 1425 CB SER A 99 14.131 16.856 -0.949 1.00 0.00 C ATOM 1426 OG SER A 99 14.631 17.321 0.293 1.00 0.00 O ATOM 0 H SER A 99 11.590 17.063 -1.068 1.00 0.00 H new ATOM 0 HA SER A 99 13.817 18.927 -1.432 1.00 0.00 H new ATOM 0 HB2 SER A 99 13.466 16.009 -0.782 1.00 0.00 H new ATOM 0 HB3 SER A 99 14.956 16.497 -1.565 1.00 0.00 H new ATOM 0 HG SER A 99 15.106 16.594 0.747 1.00 0.00 H new ATOM 1432 N GLY A 100 12.685 16.874 -3.742 1.00 0.00 N ATOM 1433 CA GLY A 100 12.724 16.605 -5.167 1.00 0.00 C ATOM 1434 C GLY A 100 12.485 15.142 -5.488 1.00 0.00 C ATOM 1435 O GLY A 100 11.914 14.855 -6.561 1.00 0.00 O ATOM 1436 OXT GLY A 100 12.870 14.284 -4.667 1.00 0.00 O ATOM 0 H GLY A 100 11.990 16.336 -3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 100 11.970 17.212 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.693 16.907 -5.564 1.00 0.00 H new TER 1440 GLY A 100