USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 592 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 53 MET CE :methyl 157:sc= -0.187 (180deg=-0.753) USER MOD Set 1.2: A 56 GLN : amide:sc= -3.91! C(o=-4.1!,f=-4.5!) USER MOD Set 2.1: A 19 MET CE :methyl 171:sc= -3.26! (180deg=-2.66!) USER MOD Set 2.2: A 22 TYR OH : rot -160:sc= 1.22 USER MOD Set 2.3: A 55 HIS : no HD1:sc= 0.662 K(o=-1.4,f=-7.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 37:sc= 0.823 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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS :FLIP no HD1:sc= -3.67 F(o=-4.5!,f=-3.7) USER MOD Single : A 31 TYR OH : rot 47:sc= 0.94 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 158:sc= -0.661 (180deg=-2.47!) USER MOD Single : A 40 MET CE :methyl 156:sc= -7.63! (180deg=-9.34!) USER MOD Single : A 41 ASN : amide:sc= -1.84! C(o=-1.8!,f=-1.9!) USER MOD Single : A 43 GLN : amide:sc= -0.782 K(o=-0.78,f=-5.1!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= -0.238 (180deg=-0.636) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 170:sc= 0.545 USER MOD Single : A 64 GLN : amide:sc= -2.64! C(o=-2.6!,f=-4.9!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -163:sc= -2.81! (180deg=-4.34!) USER MOD Single : A 69 GLN : amide:sc=-0.00131 K(o=-0.0013,f=-1) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.491 X(o=-0.49,f=-0.17) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 36:sc= 0.171 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.034 10.708 -16.616 1.00 0.00 N ATOM 2 CA GLY A 1 -4.218 10.671 -15.417 1.00 0.00 C ATOM 3 C GLY A 1 -4.287 9.332 -14.709 1.00 0.00 C ATOM 4 O GLY A 1 -5.361 8.743 -14.585 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.952 11.644 -17.063 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.708 9.977 -17.281 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.027 10.529 -16.365 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.182 10.887 -15.679 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.544 11.456 -14.735 1.00 0.00 H new ATOM 8 N SER A 2 -3.139 8.850 -14.245 1.00 0.00 N ATOM 9 CA SER A 2 -3.073 7.569 -13.552 1.00 0.00 C ATOM 10 C SER A 2 -3.556 7.706 -12.111 1.00 0.00 C ATOM 11 O SER A 2 -2.933 8.387 -11.297 1.00 0.00 O ATOM 12 CB SER A 2 -1.642 7.028 -13.572 1.00 0.00 C ATOM 13 OG SER A 2 -0.772 7.858 -12.823 1.00 0.00 O ATOM 0 H SER A 2 -2.242 9.327 -14.336 1.00 0.00 H new ATOM 0 HA SER A 2 -3.727 6.868 -14.072 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.626 6.017 -13.164 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.289 6.962 -14.601 1.00 0.00 H new ATOM 0 HG SER A 2 -1.244 8.199 -12.035 1.00 0.00 H new ATOM 19 N SER A 3 -4.672 7.053 -11.804 1.00 0.00 N ATOM 20 CA SER A 3 -5.243 7.103 -10.463 1.00 0.00 C ATOM 21 C SER A 3 -4.144 7.128 -9.405 1.00 0.00 C ATOM 22 O SER A 3 -4.078 8.041 -8.584 1.00 0.00 O ATOM 23 CB SER A 3 -6.163 5.903 -10.232 1.00 0.00 C ATOM 24 OG SER A 3 -6.822 5.998 -8.981 1.00 0.00 O ATOM 0 H SER A 3 -5.199 6.483 -12.466 1.00 0.00 H new ATOM 0 HA SER A 3 -5.826 8.020 -10.377 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.901 5.848 -11.032 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.581 4.982 -10.271 1.00 0.00 H new ATOM 0 HG SER A 3 -7.405 5.220 -8.859 1.00 0.00 H new ATOM 30 N GLY A 4 -3.282 6.116 -9.433 1.00 0.00 N ATOM 31 CA GLY A 4 -2.197 6.040 -8.472 1.00 0.00 C ATOM 32 C GLY A 4 -0.844 6.303 -9.103 1.00 0.00 C ATOM 33 O GLY A 4 -0.626 5.988 -10.273 1.00 0.00 O ATOM 0 H GLY A 4 -3.316 5.348 -10.103 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.370 6.764 -7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.193 5.053 -8.010 1.00 0.00 H new ATOM 37 N SER A 5 0.066 6.883 -8.327 1.00 0.00 N ATOM 38 CA SER A 5 1.403 7.194 -8.819 1.00 0.00 C ATOM 39 C SER A 5 2.436 6.245 -8.219 1.00 0.00 C ATOM 40 O SER A 5 2.661 6.239 -7.008 1.00 0.00 O ATOM 41 CB SER A 5 1.769 8.641 -8.486 1.00 0.00 C ATOM 42 OG SER A 5 2.818 9.106 -9.316 1.00 0.00 O ATOM 0 H SER A 5 -0.098 7.147 -7.355 1.00 0.00 H new ATOM 0 HA SER A 5 1.404 7.067 -9.902 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.894 9.278 -8.610 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.070 8.712 -7.441 1.00 0.00 H new ATOM 0 HG SER A 5 3.032 10.034 -9.084 1.00 0.00 H new ATOM 48 N SER A 6 3.063 5.444 -9.075 1.00 0.00 N ATOM 49 CA SER A 6 4.070 4.488 -8.630 1.00 0.00 C ATOM 50 C SER A 6 5.370 5.198 -8.265 1.00 0.00 C ATOM 51 O SER A 6 6.082 5.700 -9.133 1.00 0.00 O ATOM 52 CB SER A 6 4.333 3.448 -9.721 1.00 0.00 C ATOM 53 OG SER A 6 3.322 2.456 -9.734 1.00 0.00 O ATOM 0 H SER A 6 2.891 5.438 -10.080 1.00 0.00 H new ATOM 0 HA SER A 6 3.690 3.984 -7.741 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.377 3.939 -10.693 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.304 2.980 -9.556 1.00 0.00 H new ATOM 0 HG SER A 6 3.512 1.804 -10.441 1.00 0.00 H new ATOM 59 N GLY A 7 5.672 5.237 -6.970 1.00 0.00 N ATOM 60 CA GLY A 7 6.885 5.888 -6.511 1.00 0.00 C ATOM 61 C GLY A 7 7.937 4.898 -6.053 1.00 0.00 C ATOM 62 O GLY A 7 9.057 4.890 -6.563 1.00 0.00 O ATOM 0 H GLY A 7 5.098 4.830 -6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.292 6.500 -7.316 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.643 6.562 -5.690 1.00 0.00 H new ATOM 66 N LEU A 8 7.577 4.060 -5.086 1.00 0.00 N ATOM 67 CA LEU A 8 8.499 3.061 -4.557 1.00 0.00 C ATOM 68 C LEU A 8 8.047 1.653 -4.928 1.00 0.00 C ATOM 69 O LEU A 8 7.018 1.470 -5.581 1.00 0.00 O ATOM 70 CB LEU A 8 8.606 3.192 -3.036 1.00 0.00 C ATOM 71 CG LEU A 8 7.322 2.882 -2.268 1.00 0.00 C ATOM 72 CD1 LEU A 8 7.136 1.380 -2.119 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.342 3.555 -0.903 1.00 0.00 C ATOM 0 H LEU A 8 6.654 4.053 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 8 9.479 3.236 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.392 2.524 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.919 4.208 -2.795 1.00 0.00 H new ATOM 0 HG LEU A 8 6.479 3.277 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.216 1.180 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.076 0.921 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.982 0.961 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.420 3.324 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.194 3.190 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.426 4.634 -1.031 1.00 0.00 H new ATOM 85 N THR A 9 8.822 0.658 -4.507 1.00 0.00 N ATOM 86 CA THR A 9 8.504 -0.734 -4.796 1.00 0.00 C ATOM 87 C THR A 9 7.957 -1.440 -3.560 1.00 0.00 C ATOM 88 O THR A 9 8.351 -1.136 -2.434 1.00 0.00 O ATOM 89 CB THR A 9 9.739 -1.499 -5.306 1.00 0.00 C ATOM 90 OG1 THR A 9 9.383 -2.849 -5.623 1.00 0.00 O ATOM 91 CG2 THR A 9 10.848 -1.493 -4.265 1.00 0.00 C ATOM 0 H THR A 9 9.675 0.791 -3.964 1.00 0.00 H new ATOM 0 HA THR A 9 7.743 -0.729 -5.576 1.00 0.00 H new ATOM 0 HB THR A 9 10.103 -0.999 -6.204 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.174 -3.328 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.710 -2.039 -4.648 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.138 -0.465 -4.048 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.492 -1.970 -3.352 1.00 0.00 H new ATOM 99 N VAL A 10 7.048 -2.386 -3.778 1.00 0.00 N ATOM 100 CA VAL A 10 6.449 -3.137 -2.681 1.00 0.00 C ATOM 101 C VAL A 10 7.473 -3.425 -1.589 1.00 0.00 C ATOM 102 O VAL A 10 7.138 -3.474 -0.406 1.00 0.00 O ATOM 103 CB VAL A 10 5.852 -4.469 -3.174 1.00 0.00 C ATOM 104 CG1 VAL A 10 5.235 -5.238 -2.016 1.00 0.00 C ATOM 105 CG2 VAL A 10 4.824 -4.219 -4.267 1.00 0.00 C ATOM 0 H VAL A 10 6.711 -2.650 -4.704 1.00 0.00 H new ATOM 0 HA VAL A 10 5.650 -2.518 -2.272 1.00 0.00 H new ATOM 0 HB VAL A 10 6.655 -5.075 -3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.818 -6.176 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.001 -5.449 -1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.443 -4.641 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.412 -5.170 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.021 -3.595 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.301 -3.713 -5.106 1.00 0.00 H new ATOM 115 N GLY A 11 8.725 -3.616 -1.994 1.00 0.00 N ATOM 116 CA GLY A 11 9.780 -3.897 -1.037 1.00 0.00 C ATOM 117 C GLY A 11 10.092 -2.707 -0.152 1.00 0.00 C ATOM 118 O GLY A 11 10.063 -2.811 1.074 1.00 0.00 O ATOM 0 H GLY A 11 9.028 -3.581 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.486 -4.742 -0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.682 -4.194 -1.572 1.00 0.00 H new ATOM 122 N ASP A 12 10.394 -1.573 -0.775 1.00 0.00 N ATOM 123 CA ASP A 12 10.714 -0.357 -0.036 1.00 0.00 C ATOM 124 C ASP A 12 9.715 -0.129 1.095 1.00 0.00 C ATOM 125 O ASP A 12 10.085 -0.117 2.269 1.00 0.00 O ATOM 126 CB ASP A 12 10.723 0.850 -0.976 1.00 0.00 C ATOM 127 CG ASP A 12 12.098 1.124 -1.553 1.00 0.00 C ATOM 128 OD1 ASP A 12 12.873 1.865 -0.913 1.00 0.00 O ATOM 129 OD2 ASP A 12 12.399 0.597 -2.644 1.00 0.00 O ATOM 0 H ASP A 12 10.424 -1.470 -1.789 1.00 0.00 H new ATOM 0 HA ASP A 12 11.706 -0.477 0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.018 0.678 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.377 1.731 -0.435 1.00 0.00 H new ATOM 134 N TRP A 13 8.451 0.052 0.732 1.00 0.00 N ATOM 135 CA TRP A 13 7.399 0.281 1.717 1.00 0.00 C ATOM 136 C TRP A 13 7.419 -0.797 2.795 1.00 0.00 C ATOM 137 O TRP A 13 7.640 -0.507 3.971 1.00 0.00 O ATOM 138 CB TRP A 13 6.031 0.310 1.034 1.00 0.00 C ATOM 139 CG TRP A 13 4.959 -0.381 1.821 1.00 0.00 C ATOM 140 CD1 TRP A 13 4.499 -0.033 3.060 1.00 0.00 C ATOM 141 CD2 TRP A 13 4.214 -1.538 1.425 1.00 0.00 C ATOM 142 NE1 TRP A 13 3.514 -0.905 3.457 1.00 0.00 N ATOM 143 CE2 TRP A 13 3.320 -1.836 2.471 1.00 0.00 C ATOM 144 CE3 TRP A 13 4.215 -2.349 0.287 1.00 0.00 C ATOM 145 CZ2 TRP A 13 2.438 -2.912 2.412 1.00 0.00 C ATOM 146 CZ3 TRP A 13 3.339 -3.416 0.230 1.00 0.00 C ATOM 147 CH2 TRP A 13 2.460 -3.690 1.286 1.00 0.00 C ATOM 0 H TRP A 13 8.129 0.045 -0.236 1.00 0.00 H new ATOM 0 HA TRP A 13 7.582 1.246 2.190 1.00 0.00 H new ATOM 0 HB2 TRP A 13 5.738 1.347 0.867 1.00 0.00 H new ATOM 0 HB3 TRP A 13 6.112 -0.160 0.054 1.00 0.00 H new ATOM 0 HD1 TRP A 13 4.857 0.804 3.641 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.009 -0.865 4.342 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.888 -2.146 -0.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.761 -3.125 3.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.332 -4.050 -0.644 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.787 -4.531 1.210 1.00 0.00 H new ATOM 158 N LEU A 14 7.189 -2.040 2.388 1.00 0.00 N ATOM 159 CA LEU A 14 7.181 -3.161 3.321 1.00 0.00 C ATOM 160 C LEU A 14 8.400 -3.115 4.237 1.00 0.00 C ATOM 161 O LEU A 14 8.318 -3.464 5.415 1.00 0.00 O ATOM 162 CB LEU A 14 7.152 -4.487 2.557 1.00 0.00 C ATOM 163 CG LEU A 14 5.796 -4.857 1.955 1.00 0.00 C ATOM 164 CD1 LEU A 14 5.942 -6.020 0.986 1.00 0.00 C ATOM 165 CD2 LEU A 14 4.801 -5.198 3.053 1.00 0.00 C ATOM 0 H LEU A 14 7.006 -2.297 1.418 1.00 0.00 H new ATOM 0 HA LEU A 14 6.284 -3.084 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.889 -4.443 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.463 -5.285 3.232 1.00 0.00 H new ATOM 0 HG LEU A 14 5.418 -3.996 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.967 -6.269 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.622 -5.740 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.342 -6.885 1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.842 -5.459 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.173 -6.043 3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.674 -4.337 3.709 1.00 0.00 H new ATOM 177 N ASP A 15 9.529 -2.683 3.688 1.00 0.00 N ATOM 178 CA ASP A 15 10.766 -2.590 4.455 1.00 0.00 C ATOM 179 C ASP A 15 10.579 -1.705 5.683 1.00 0.00 C ATOM 180 O ASP A 15 11.123 -1.984 6.751 1.00 0.00 O ATOM 181 CB ASP A 15 11.893 -2.038 3.580 1.00 0.00 C ATOM 182 CG ASP A 15 13.262 -2.503 4.038 1.00 0.00 C ATOM 183 OD1 ASP A 15 13.673 -2.125 5.154 1.00 0.00 O ATOM 184 OD2 ASP A 15 13.921 -3.245 3.280 1.00 0.00 O ATOM 0 H ASP A 15 9.614 -2.391 2.714 1.00 0.00 H new ATOM 0 HA ASP A 15 11.033 -3.592 4.789 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.733 -2.349 2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.859 -0.949 3.593 1.00 0.00 H new ATOM 189 N SER A 16 9.805 -0.635 5.523 1.00 0.00 N ATOM 190 CA SER A 16 9.550 0.294 6.617 1.00 0.00 C ATOM 191 C SER A 16 8.946 -0.431 7.816 1.00 0.00 C ATOM 192 O SER A 16 9.299 -0.157 8.963 1.00 0.00 O ATOM 193 CB SER A 16 8.612 1.412 6.157 1.00 0.00 C ATOM 194 OG SER A 16 8.105 2.139 7.262 1.00 0.00 O ATOM 0 H SER A 16 9.344 -0.391 4.646 1.00 0.00 H new ATOM 0 HA SER A 16 10.502 0.730 6.920 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.146 2.087 5.488 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.786 0.986 5.588 1.00 0.00 H new ATOM 0 HG SER A 16 7.510 2.848 6.941 1.00 0.00 H new ATOM 200 N ILE A 17 8.033 -1.357 7.541 1.00 0.00 N ATOM 201 CA ILE A 17 7.381 -2.123 8.595 1.00 0.00 C ATOM 202 C ILE A 17 8.089 -3.453 8.828 1.00 0.00 C ATOM 203 O ILE A 17 7.522 -4.376 9.413 1.00 0.00 O ATOM 204 CB ILE A 17 5.902 -2.394 8.261 1.00 0.00 C ATOM 205 CG1 ILE A 17 5.774 -2.985 6.856 1.00 0.00 C ATOM 206 CG2 ILE A 17 5.089 -1.113 8.379 1.00 0.00 C ATOM 207 CD1 ILE A 17 4.429 -3.626 6.591 1.00 0.00 C ATOM 0 H ILE A 17 7.728 -1.594 6.597 1.00 0.00 H new ATOM 0 HA ILE A 17 7.437 -1.521 9.502 1.00 0.00 H new ATOM 0 HB ILE A 17 5.510 -3.117 8.976 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.943 -2.197 6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.557 -3.729 6.711 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.046 -1.321 8.140 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.159 -0.730 9.397 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.479 -0.369 7.684 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.409 -4.024 5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.266 -4.436 7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.642 -2.880 6.704 1.00 0.00 H new ATOM 219 N ARG A 18 9.333 -3.543 8.368 1.00 0.00 N ATOM 220 CA ARG A 18 10.120 -4.760 8.527 1.00 0.00 C ATOM 221 C ARG A 18 9.370 -5.969 7.974 1.00 0.00 C ATOM 222 O ARG A 18 9.466 -7.071 8.513 1.00 0.00 O ATOM 223 CB ARG A 18 10.456 -4.987 10.002 1.00 0.00 C ATOM 224 CG ARG A 18 11.492 -4.017 10.546 1.00 0.00 C ATOM 225 CD ARG A 18 12.186 -4.576 11.778 1.00 0.00 C ATOM 226 NE ARG A 18 11.259 -4.764 12.891 1.00 0.00 N ATOM 227 CZ ARG A 18 11.474 -5.610 13.892 1.00 0.00 C ATOM 228 NH1 ARG A 18 12.579 -6.342 13.920 1.00 0.00 N ATOM 229 NH2 ARG A 18 10.583 -5.725 14.868 1.00 0.00 N ATOM 0 H ARG A 18 9.817 -2.788 7.882 1.00 0.00 H new ATOM 0 HA ARG A 18 11.046 -4.639 7.965 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.543 -4.899 10.592 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.822 -6.006 10.130 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.233 -3.804 9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.011 -3.071 10.796 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.652 -5.529 11.530 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.985 -3.900 12.082 1.00 0.00 H new ATOM 0 HE ARG A 18 10.399 -4.215 12.900 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.267 -6.256 13.172 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.742 -6.991 14.690 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.732 -5.163 14.850 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.749 -6.375 15.636 1.00 0.00 H new ATOM 243 N MET A 19 8.623 -5.752 6.896 1.00 0.00 N ATOM 244 CA MET A 19 7.858 -6.824 6.270 1.00 0.00 C ATOM 245 C MET A 19 8.303 -7.039 4.827 1.00 0.00 C ATOM 246 O MET A 19 7.740 -7.865 4.110 1.00 0.00 O ATOM 247 CB MET A 19 6.362 -6.503 6.312 1.00 0.00 C ATOM 248 CG MET A 19 5.837 -6.239 7.714 1.00 0.00 C ATOM 249 SD MET A 19 6.631 -7.273 8.960 1.00 0.00 S ATOM 250 CE MET A 19 5.876 -8.860 8.614 1.00 0.00 C ATOM 0 H MET A 19 8.531 -4.845 6.439 1.00 0.00 H new ATOM 0 HA MET A 19 8.042 -7.742 6.829 1.00 0.00 H new ATOM 0 HB2 MET A 19 6.168 -5.629 5.690 1.00 0.00 H new ATOM 0 HB3 MET A 19 5.808 -7.334 5.876 1.00 0.00 H new ATOM 0 HG2 MET A 19 5.994 -5.190 7.965 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.761 -6.414 7.734 1.00 0.00 H new ATOM 0 HE1 MET A 19 6.378 -9.636 9.192 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.821 -8.829 8.888 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.968 -9.083 7.551 1.00 0.00 H new ATOM 260 N GLY A 20 9.317 -6.288 4.407 1.00 0.00 N ATOM 261 CA GLY A 20 9.819 -6.412 3.051 1.00 0.00 C ATOM 262 C GLY A 20 10.126 -7.848 2.675 1.00 0.00 C ATOM 263 O GLY A 20 10.246 -8.175 1.494 1.00 0.00 O ATOM 0 H GLY A 20 9.799 -5.597 4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.083 -6.007 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.722 -5.811 2.945 1.00 0.00 H new ATOM 267 N ARG A 21 10.254 -8.707 3.680 1.00 0.00 N ATOM 268 CA ARG A 21 10.551 -10.115 3.449 1.00 0.00 C ATOM 269 C ARG A 21 9.428 -10.786 2.662 1.00 0.00 C ATOM 270 O ARG A 21 9.649 -11.783 1.975 1.00 0.00 O ATOM 271 CB ARG A 21 10.759 -10.840 4.780 1.00 0.00 C ATOM 272 CG ARG A 21 9.466 -11.121 5.529 1.00 0.00 C ATOM 273 CD ARG A 21 9.728 -11.848 6.839 1.00 0.00 C ATOM 274 NE ARG A 21 10.164 -10.937 7.893 1.00 0.00 N ATOM 275 CZ ARG A 21 10.607 -11.343 9.078 1.00 0.00 C ATOM 276 NH1 ARG A 21 10.673 -12.637 9.357 1.00 0.00 N ATOM 277 NH2 ARG A 21 10.986 -10.452 9.986 1.00 0.00 N ATOM 0 H ARG A 21 10.157 -8.452 4.663 1.00 0.00 H new ATOM 0 HA ARG A 21 11.468 -10.175 2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.274 -11.783 4.594 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.413 -10.240 5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.949 -10.183 5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.805 -11.722 4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.820 -12.361 7.156 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.489 -12.613 6.683 1.00 0.00 H new ATOM 0 HE ARG A 21 10.127 -9.934 7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.383 -13.324 8.661 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.014 -12.946 10.268 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.937 -9.455 9.774 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.326 -10.764 10.896 1.00 0.00 H new ATOM 291 N TYR A 22 8.226 -10.232 2.769 1.00 0.00 N ATOM 292 CA TYR A 22 7.068 -10.778 2.070 1.00 0.00 C ATOM 293 C TYR A 22 6.896 -10.120 0.705 1.00 0.00 C ATOM 294 O TYR A 22 6.073 -10.549 -0.104 1.00 0.00 O ATOM 295 CB TYR A 22 5.803 -10.582 2.907 1.00 0.00 C ATOM 296 CG TYR A 22 5.688 -11.546 4.066 1.00 0.00 C ATOM 297 CD1 TYR A 22 5.595 -12.915 3.850 1.00 0.00 C ATOM 298 CD2 TYR A 22 5.672 -11.087 5.378 1.00 0.00 C ATOM 299 CE1 TYR A 22 5.489 -13.800 4.906 1.00 0.00 C ATOM 300 CE2 TYR A 22 5.568 -11.964 6.440 1.00 0.00 C ATOM 301 CZ TYR A 22 5.477 -13.319 6.199 1.00 0.00 C ATOM 302 OH TYR A 22 5.372 -14.196 7.255 1.00 0.00 O ATOM 0 H TYR A 22 8.027 -9.405 3.333 1.00 0.00 H new ATOM 0 HA TYR A 22 7.235 -11.845 1.920 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.786 -9.562 3.291 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.931 -10.695 2.263 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.606 -13.294 2.839 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.742 -10.027 5.570 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.416 -14.861 4.720 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.558 -11.591 7.453 1.00 0.00 H new ATOM 0 HH TYR A 22 5.061 -13.715 8.050 1.00 0.00 H new ATOM 312 N ARG A 23 7.679 -9.076 0.456 1.00 0.00 N ATOM 313 CA ARG A 23 7.614 -8.357 -0.811 1.00 0.00 C ATOM 314 C ARG A 23 7.588 -9.329 -1.987 1.00 0.00 C ATOM 315 O ARG A 23 6.831 -9.145 -2.941 1.00 0.00 O ATOM 316 CB ARG A 23 8.807 -7.409 -0.946 1.00 0.00 C ATOM 317 CG ARG A 23 10.063 -8.081 -1.475 1.00 0.00 C ATOM 318 CD ARG A 23 11.234 -7.112 -1.529 1.00 0.00 C ATOM 319 NE ARG A 23 11.311 -6.419 -2.812 1.00 0.00 N ATOM 320 CZ ARG A 23 11.926 -6.915 -3.880 1.00 0.00 C ATOM 321 NH1 ARG A 23 12.514 -8.102 -3.818 1.00 0.00 N ATOM 322 NH2 ARG A 23 11.954 -6.224 -5.012 1.00 0.00 N ATOM 0 H ARG A 23 8.366 -8.709 1.115 1.00 0.00 H new ATOM 0 HA ARG A 23 6.693 -7.775 -0.822 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.536 -6.590 -1.612 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.023 -6.970 0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.319 -8.928 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.872 -8.478 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.137 -6.380 -0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.163 -7.655 -1.354 1.00 0.00 H new ATOM 0 HE ARG A 23 10.868 -5.504 -2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.495 -8.636 -2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.986 -8.481 -4.639 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.503 -5.311 -5.063 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.427 -6.606 -5.831 1.00 0.00 H new ATOM 336 N ASP A 24 8.420 -10.362 -1.912 1.00 0.00 N ATOM 337 CA ASP A 24 8.492 -11.364 -2.970 1.00 0.00 C ATOM 338 C ASP A 24 7.127 -12.004 -3.206 1.00 0.00 C ATOM 339 O ASP A 24 6.801 -12.399 -4.326 1.00 0.00 O ATOM 340 CB ASP A 24 9.519 -12.440 -2.613 1.00 0.00 C ATOM 341 CG ASP A 24 10.880 -11.856 -2.290 1.00 0.00 C ATOM 342 OD1 ASP A 24 11.201 -10.771 -2.819 1.00 0.00 O ATOM 343 OD2 ASP A 24 11.625 -12.485 -1.509 1.00 0.00 O ATOM 0 H ASP A 24 9.054 -10.528 -1.130 1.00 0.00 H new ATOM 0 HA ASP A 24 8.803 -10.866 -3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.160 -13.012 -1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.614 -13.138 -3.445 1.00 0.00 H new ATOM 348 N HIS A 25 6.334 -12.104 -2.144 1.00 0.00 N ATOM 349 CA HIS A 25 5.005 -12.697 -2.236 1.00 0.00 C ATOM 350 C HIS A 25 4.082 -11.832 -3.090 1.00 0.00 C ATOM 351 O HIS A 25 3.490 -12.307 -4.059 1.00 0.00 O ATOM 352 CB HIS A 25 4.406 -12.878 -0.841 1.00 0.00 C ATOM 353 CG HIS A 25 5.267 -13.689 0.079 1.00 0.00 C ATOM 354 ND1 HIS A 25 6.554 -13.523 0.463 1.00 0.00 N flip ATOM 355 CD2 HIS A 25 4.820 -14.825 0.720 1.00 0.00 C flip ATOM 356 CE1 HIS A 25 6.859 -14.551 1.321 1.00 0.00 C flip ATOM 357 NE2 HIS A 25 5.796 -15.322 1.460 1.00 0.00 N flip ATOM 0 H HIS A 25 6.589 -11.782 -1.210 1.00 0.00 H new ATOM 0 HA HIS A 25 5.102 -13.673 -2.711 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.237 -11.897 -0.397 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.432 -13.359 -0.932 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.828 -15.243 0.631 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.813 -14.704 1.804 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.738 -16.159 2.040 1.00 0.00 H new ATOM 366 N PHE A 26 3.963 -10.560 -2.722 1.00 0.00 N ATOM 367 CA PHE A 26 3.111 -9.630 -3.453 1.00 0.00 C ATOM 368 C PHE A 26 3.345 -9.745 -4.957 1.00 0.00 C ATOM 369 O PHE A 26 2.397 -9.798 -5.740 1.00 0.00 O ATOM 370 CB PHE A 26 3.375 -8.194 -2.993 1.00 0.00 C ATOM 371 CG PHE A 26 2.574 -7.795 -1.787 1.00 0.00 C ATOM 372 CD1 PHE A 26 2.978 -8.168 -0.515 1.00 0.00 C ATOM 373 CD2 PHE A 26 1.417 -7.045 -1.925 1.00 0.00 C ATOM 374 CE1 PHE A 26 2.243 -7.802 0.596 1.00 0.00 C ATOM 375 CE2 PHE A 26 0.678 -6.675 -0.817 1.00 0.00 C ATOM 376 CZ PHE A 26 1.091 -7.055 0.445 1.00 0.00 C ATOM 0 H PHE A 26 4.446 -10.150 -1.922 1.00 0.00 H new ATOM 0 HA PHE A 26 2.072 -9.886 -3.244 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.436 -8.082 -2.768 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.149 -7.511 -3.812 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.878 -8.752 -0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.089 -6.746 -2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.569 -8.100 1.582 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.221 -6.089 -0.938 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.514 -6.769 1.312 1.00 0.00 H new ATOM 386 N ALA A 27 4.613 -9.782 -5.351 1.00 0.00 N ATOM 387 CA ALA A 27 4.972 -9.892 -6.760 1.00 0.00 C ATOM 388 C ALA A 27 4.340 -11.127 -7.392 1.00 0.00 C ATOM 389 O ALA A 27 4.054 -11.145 -8.589 1.00 0.00 O ATOM 390 CB ALA A 27 6.485 -9.931 -6.917 1.00 0.00 C ATOM 0 H ALA A 27 5.409 -9.737 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 27 4.587 -9.014 -7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.739 -10.013 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.917 -9.017 -6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.884 -10.791 -6.380 1.00 0.00 H new ATOM 396 N ALA A 28 4.125 -12.158 -6.581 1.00 0.00 N ATOM 397 CA ALA A 28 3.526 -13.396 -7.062 1.00 0.00 C ATOM 398 C ALA A 28 2.012 -13.263 -7.182 1.00 0.00 C ATOM 399 O ALA A 28 1.397 -13.837 -8.079 1.00 0.00 O ATOM 400 CB ALA A 28 3.885 -14.550 -6.137 1.00 0.00 C ATOM 0 H ALA A 28 4.357 -12.160 -5.588 1.00 0.00 H new ATOM 0 HA ALA A 28 3.926 -13.602 -8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.431 -15.469 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.968 -14.668 -6.105 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.513 -14.341 -5.134 1.00 0.00 H new ATOM 406 N GLY A 29 1.415 -12.502 -6.269 1.00 0.00 N ATOM 407 CA GLY A 29 -0.023 -12.308 -6.290 1.00 0.00 C ATOM 408 C GLY A 29 -0.453 -11.268 -7.306 1.00 0.00 C ATOM 409 O GLY A 29 -1.615 -10.866 -7.339 1.00 0.00 O ATOM 0 H GLY A 29 1.902 -12.017 -5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.511 -13.256 -6.516 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.360 -12.004 -5.299 1.00 0.00 H new ATOM 413 N GLY A 30 0.488 -10.830 -8.137 1.00 0.00 N ATOM 414 CA GLY A 30 0.181 -9.832 -9.145 1.00 0.00 C ATOM 415 C GLY A 30 0.383 -8.417 -8.642 1.00 0.00 C ATOM 416 O GLY A 30 -0.087 -7.459 -9.256 1.00 0.00 O ATOM 0 H GLY A 30 1.457 -11.148 -8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.812 -9.997 -10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.852 -9.955 -9.470 1.00 0.00 H new ATOM 420 N TYR A 31 1.082 -8.284 -7.520 1.00 0.00 N ATOM 421 CA TYR A 31 1.341 -6.975 -6.932 1.00 0.00 C ATOM 422 C TYR A 31 2.841 -6.719 -6.813 1.00 0.00 C ATOM 423 O TYR A 31 3.512 -7.281 -5.948 1.00 0.00 O ATOM 424 CB TYR A 31 0.685 -6.873 -5.554 1.00 0.00 C ATOM 425 CG TYR A 31 -0.806 -7.125 -5.574 1.00 0.00 C ATOM 426 CD1 TYR A 31 -1.316 -8.411 -5.446 1.00 0.00 C ATOM 427 CD2 TYR A 31 -1.705 -6.075 -5.720 1.00 0.00 C ATOM 428 CE1 TYR A 31 -2.677 -8.645 -5.464 1.00 0.00 C ATOM 429 CE2 TYR A 31 -3.068 -6.300 -5.738 1.00 0.00 C ATOM 430 CZ TYR A 31 -3.549 -7.586 -5.610 1.00 0.00 C ATOM 431 OH TYR A 31 -4.906 -7.815 -5.628 1.00 0.00 O ATOM 0 H TYR A 31 1.479 -9.066 -7.000 1.00 0.00 H new ATOM 0 HA TYR A 31 0.912 -6.218 -7.589 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.157 -7.589 -4.882 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.872 -5.880 -5.144 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.636 -9.242 -5.330 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.332 -5.067 -5.821 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.056 -9.651 -5.364 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.753 -5.473 -5.852 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.146 -8.417 -4.893 1.00 0.00 H new ATOM 441 N SER A 32 3.359 -5.865 -7.689 1.00 0.00 N ATOM 442 CA SER A 32 4.780 -5.534 -7.686 1.00 0.00 C ATOM 443 C SER A 32 4.992 -4.051 -7.402 1.00 0.00 C ATOM 444 O SER A 32 6.110 -3.613 -7.128 1.00 0.00 O ATOM 445 CB SER A 32 5.414 -5.904 -9.029 1.00 0.00 C ATOM 446 OG SER A 32 6.811 -6.098 -8.897 1.00 0.00 O ATOM 0 H SER A 32 2.817 -5.389 -8.410 1.00 0.00 H new ATOM 0 HA SER A 32 5.260 -6.109 -6.895 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.952 -6.813 -9.415 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.220 -5.115 -9.756 1.00 0.00 H new ATOM 0 HG SER A 32 7.192 -6.335 -9.768 1.00 0.00 H new ATOM 452 N SER A 33 3.910 -3.281 -7.469 1.00 0.00 N ATOM 453 CA SER A 33 3.977 -1.845 -7.223 1.00 0.00 C ATOM 454 C SER A 33 3.075 -1.451 -6.057 1.00 0.00 C ATOM 455 O SER A 33 2.277 -2.255 -5.577 1.00 0.00 O ATOM 456 CB SER A 33 3.573 -1.072 -8.480 1.00 0.00 C ATOM 457 OG SER A 33 4.247 -1.568 -9.623 1.00 0.00 O ATOM 0 H SER A 33 2.977 -3.628 -7.692 1.00 0.00 H new ATOM 0 HA SER A 33 5.005 -1.593 -6.965 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.496 -1.149 -8.627 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.802 -0.014 -8.349 1.00 0.00 H new ATOM 0 HG SER A 33 3.970 -1.058 -10.413 1.00 0.00 H new ATOM 463 N LEU A 34 3.209 -0.208 -5.608 1.00 0.00 N ATOM 464 CA LEU A 34 2.407 0.294 -4.498 1.00 0.00 C ATOM 465 C LEU A 34 1.022 0.717 -4.976 1.00 0.00 C ATOM 466 O LEU A 34 0.017 0.441 -4.322 1.00 0.00 O ATOM 467 CB LEU A 34 3.111 1.476 -3.828 1.00 0.00 C ATOM 468 CG LEU A 34 4.084 1.101 -2.710 1.00 0.00 C ATOM 469 CD1 LEU A 34 3.373 1.085 -1.366 1.00 0.00 C ATOM 470 CD2 LEU A 34 4.722 -0.251 -2.992 1.00 0.00 C ATOM 0 H LEU A 34 3.865 0.470 -5.995 1.00 0.00 H new ATOM 0 HA LEU A 34 2.291 -0.511 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.655 2.035 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.354 2.146 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 34 4.872 1.853 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.082 0.816 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.962 2.073 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.565 0.354 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.412 -0.503 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.946 -1.013 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.266 -0.207 -3.935 1.00 0.00 H new ATOM 482 N GLY A 35 0.976 1.389 -6.122 1.00 0.00 N ATOM 483 CA GLY A 35 -0.290 1.839 -6.669 1.00 0.00 C ATOM 484 C GLY A 35 -1.345 0.751 -6.659 1.00 0.00 C ATOM 485 O GLY A 35 -2.537 1.033 -6.538 1.00 0.00 O ATOM 0 H GLY A 35 1.794 1.630 -6.682 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.648 2.693 -6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.138 2.184 -7.692 1.00 0.00 H new ATOM 489 N MET A 36 -0.907 -0.497 -6.790 1.00 0.00 N ATOM 490 CA MET A 36 -1.823 -1.632 -6.796 1.00 0.00 C ATOM 491 C MET A 36 -1.959 -2.229 -5.399 1.00 0.00 C ATOM 492 O MET A 36 -2.953 -2.885 -5.088 1.00 0.00 O ATOM 493 CB MET A 36 -1.337 -2.701 -7.776 1.00 0.00 C ATOM 494 CG MET A 36 0.071 -3.195 -7.488 1.00 0.00 C ATOM 495 SD MET A 36 0.828 -4.005 -8.910 1.00 0.00 S ATOM 496 CE MET A 36 0.498 -2.806 -10.199 1.00 0.00 C ATOM 0 H MET A 36 0.076 -0.748 -6.893 1.00 0.00 H new ATOM 0 HA MET A 36 -2.802 -1.275 -7.115 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.023 -3.547 -7.747 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.372 -2.297 -8.788 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.692 -2.353 -7.182 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.043 -3.892 -6.650 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.206 -2.946 -11.016 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.517 -2.942 -10.571 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.604 -1.799 -9.795 1.00 0.00 H new ATOM 506 N VAL A 37 -0.953 -1.999 -4.561 1.00 0.00 N ATOM 507 CA VAL A 37 -0.961 -2.513 -3.197 1.00 0.00 C ATOM 508 C VAL A 37 -1.965 -1.761 -2.332 1.00 0.00 C ATOM 509 O VAL A 37 -2.556 -2.328 -1.413 1.00 0.00 O ATOM 510 CB VAL A 37 0.434 -2.413 -2.552 1.00 0.00 C ATOM 511 CG1 VAL A 37 0.329 -2.500 -1.037 1.00 0.00 C ATOM 512 CG2 VAL A 37 1.351 -3.499 -3.094 1.00 0.00 C ATOM 0 H VAL A 37 -0.122 -1.460 -4.803 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.252 -3.562 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 37 0.865 -1.445 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.324 -2.428 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.291 -1.683 -0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.122 -3.452 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.332 -3.413 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.927 -4.478 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.451 -3.385 -4.173 1.00 0.00 H new ATOM 522 N LEU A 38 -2.153 -0.480 -2.631 1.00 0.00 N ATOM 523 CA LEU A 38 -3.086 0.352 -1.880 1.00 0.00 C ATOM 524 C LEU A 38 -4.522 -0.121 -2.085 1.00 0.00 C ATOM 525 O LEU A 38 -5.401 0.162 -1.271 1.00 0.00 O ATOM 526 CB LEU A 38 -2.953 1.816 -2.306 1.00 0.00 C ATOM 527 CG LEU A 38 -1.842 2.596 -1.601 1.00 0.00 C ATOM 528 CD1 LEU A 38 -2.040 2.563 -0.094 1.00 0.00 C ATOM 529 CD2 LEU A 38 -0.479 2.034 -1.974 1.00 0.00 C ATOM 0 H LEU A 38 -1.671 0.005 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.841 0.265 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.775 1.851 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.902 2.320 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.888 3.634 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.240 3.123 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.001 3.012 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.021 1.530 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.300 2.600 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.422 0.988 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.336 2.111 -3.052 1.00 0.00 H new ATOM 541 N ARG A 39 -4.751 -0.841 -3.177 1.00 0.00 N ATOM 542 CA ARG A 39 -6.080 -1.352 -3.490 1.00 0.00 C ATOM 543 C ARG A 39 -6.220 -2.808 -3.053 1.00 0.00 C ATOM 544 O ARG A 39 -7.097 -3.528 -3.530 1.00 0.00 O ATOM 545 CB ARG A 39 -6.357 -1.231 -4.990 1.00 0.00 C ATOM 546 CG ARG A 39 -5.601 -2.245 -5.833 1.00 0.00 C ATOM 547 CD ARG A 39 -6.335 -2.548 -7.130 1.00 0.00 C ATOM 548 NE ARG A 39 -7.630 -3.180 -6.892 1.00 0.00 N ATOM 549 CZ ARG A 39 -8.603 -3.225 -7.794 1.00 0.00 C ATOM 550 NH1 ARG A 39 -8.429 -2.679 -8.990 1.00 0.00 N ATOM 551 NH2 ARG A 39 -9.753 -3.819 -7.503 1.00 0.00 N ATOM 0 H ARG A 39 -4.034 -1.084 -3.860 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.809 -0.754 -2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.426 -1.351 -5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.091 -0.227 -5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.605 -1.863 -6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.468 -3.166 -5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.480 -1.623 -7.689 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.721 -3.202 -7.750 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.796 -3.611 -5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.546 -2.223 -9.219 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.178 -2.715 -9.681 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.891 -4.242 -6.585 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.500 -3.853 -8.197 1.00 0.00 H new ATOM 565 N MET A 40 -5.350 -3.233 -2.143 1.00 0.00 N ATOM 566 CA MET A 40 -5.377 -4.602 -1.642 1.00 0.00 C ATOM 567 C MET A 40 -5.995 -4.658 -0.248 1.00 0.00 C ATOM 568 O MET A 40 -6.102 -3.640 0.435 1.00 0.00 O ATOM 569 CB MET A 40 -3.963 -5.184 -1.609 1.00 0.00 C ATOM 570 CG MET A 40 -3.511 -5.758 -2.942 1.00 0.00 C ATOM 571 SD MET A 40 -1.927 -6.613 -2.830 1.00 0.00 S ATOM 572 CE MET A 40 -2.134 -7.507 -1.291 1.00 0.00 C ATOM 0 H MET A 40 -4.618 -2.650 -1.738 1.00 0.00 H new ATOM 0 HA MET A 40 -5.991 -5.198 -2.317 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.265 -4.405 -1.303 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.919 -5.967 -0.852 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.268 -6.451 -3.310 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.434 -4.953 -3.672 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.476 -8.376 -1.284 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.883 -6.855 -0.455 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.169 -7.835 -1.197 1.00 0.00 H new ATOM 582 N ASN A 41 -6.399 -5.854 0.168 1.00 0.00 N ATOM 583 CA ASN A 41 -7.007 -6.041 1.480 1.00 0.00 C ATOM 584 C ASN A 41 -6.674 -7.420 2.042 1.00 0.00 C ATOM 585 O ASN A 41 -5.971 -8.207 1.408 1.00 0.00 O ATOM 586 CB ASN A 41 -8.525 -5.867 1.392 1.00 0.00 C ATOM 587 CG ASN A 41 -9.156 -5.604 2.745 1.00 0.00 C ATOM 588 OD1 ASN A 41 -8.770 -4.673 3.452 1.00 0.00 O ATOM 589 ND2 ASN A 41 -10.132 -6.426 3.112 1.00 0.00 N ATOM 0 H ASN A 41 -6.316 -6.708 -0.384 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.600 -5.286 2.152 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.755 -5.040 0.720 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.966 -6.764 0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.594 -6.299 4.012 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.419 -7.185 2.494 1.00 0.00 H new ATOM 596 N ALA A 42 -7.184 -7.706 3.235 1.00 0.00 N ATOM 597 CA ALA A 42 -6.943 -8.990 3.881 1.00 0.00 C ATOM 598 C ALA A 42 -7.057 -10.137 2.882 1.00 0.00 C ATOM 599 O ALA A 42 -6.225 -11.044 2.869 1.00 0.00 O ATOM 600 CB ALA A 42 -7.917 -9.193 5.033 1.00 0.00 C ATOM 0 H ALA A 42 -7.767 -7.066 3.774 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.927 -8.985 4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.725 -10.156 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.786 -8.396 5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.939 -9.172 4.654 1.00 0.00 H new ATOM 606 N GLN A 43 -8.091 -10.090 2.049 1.00 0.00 N ATOM 607 CA GLN A 43 -8.313 -11.127 1.048 1.00 0.00 C ATOM 608 C GLN A 43 -7.104 -11.262 0.127 1.00 0.00 C ATOM 609 O GLN A 43 -6.626 -12.367 -0.128 1.00 0.00 O ATOM 610 CB GLN A 43 -9.563 -10.811 0.225 1.00 0.00 C ATOM 611 CG GLN A 43 -10.841 -10.783 1.047 1.00 0.00 C ATOM 612 CD GLN A 43 -11.312 -12.169 1.441 1.00 0.00 C ATOM 613 OE1 GLN A 43 -10.506 -13.043 1.764 1.00 0.00 O ATOM 614 NE2 GLN A 43 -12.623 -12.379 1.418 1.00 0.00 N ATOM 0 H GLN A 43 -8.788 -9.345 2.047 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.458 -12.074 1.568 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.433 -9.844 -0.262 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.665 -11.555 -0.565 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.677 -10.190 1.947 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.625 -10.286 0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.255 -11.627 1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.998 -13.292 1.674 1.00 0.00 H new ATOM 623 N ASP A 44 -6.615 -10.131 -0.369 1.00 0.00 N ATOM 624 CA ASP A 44 -5.461 -10.123 -1.261 1.00 0.00 C ATOM 625 C ASP A 44 -4.188 -10.490 -0.505 1.00 0.00 C ATOM 626 O ASP A 44 -3.504 -11.453 -0.851 1.00 0.00 O ATOM 627 CB ASP A 44 -5.304 -8.748 -1.913 1.00 0.00 C ATOM 628 CG ASP A 44 -6.504 -8.367 -2.757 1.00 0.00 C ATOM 629 OD1 ASP A 44 -6.633 -8.898 -3.880 1.00 0.00 O ATOM 630 OD2 ASP A 44 -7.316 -7.539 -2.294 1.00 0.00 O ATOM 0 H ASP A 44 -7.000 -9.208 -0.169 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.628 -10.868 -2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.155 -7.996 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.410 -8.745 -2.536 1.00 0.00 H new ATOM 635 N VAL A 45 -3.874 -9.714 0.528 1.00 0.00 N ATOM 636 CA VAL A 45 -2.683 -9.957 1.332 1.00 0.00 C ATOM 637 C VAL A 45 -2.607 -11.414 1.776 1.00 0.00 C ATOM 638 O VAL A 45 -1.605 -12.092 1.547 1.00 0.00 O ATOM 639 CB VAL A 45 -2.651 -9.051 2.577 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.441 -9.372 3.441 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.651 -7.585 2.168 1.00 0.00 C ATOM 0 H VAL A 45 -4.428 -8.912 0.827 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.824 -9.726 0.702 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.548 -9.241 3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.436 -8.722 4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.489 -10.412 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.530 -9.212 2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.628 -6.958 3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.773 -7.378 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.552 -7.367 1.595 1.00 0.00 H new ATOM 651 N ARG A 46 -3.673 -11.889 2.411 1.00 0.00 N ATOM 652 CA ARG A 46 -3.728 -13.266 2.888 1.00 0.00 C ATOM 653 C ARG A 46 -3.331 -14.240 1.782 1.00 0.00 C ATOM 654 O ARG A 46 -2.617 -15.212 2.024 1.00 0.00 O ATOM 655 CB ARG A 46 -5.132 -13.597 3.395 1.00 0.00 C ATOM 656 CG ARG A 46 -5.350 -15.078 3.662 1.00 0.00 C ATOM 657 CD ARG A 46 -4.653 -15.521 4.939 1.00 0.00 C ATOM 658 NE ARG A 46 -5.050 -16.868 5.340 1.00 0.00 N ATOM 659 CZ ARG A 46 -6.134 -17.130 6.062 1.00 0.00 C ATOM 660 NH1 ARG A 46 -6.924 -16.142 6.460 1.00 0.00 N ATOM 661 NH2 ARG A 46 -6.430 -18.382 6.388 1.00 0.00 N ATOM 0 H ARG A 46 -4.511 -11.341 2.607 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.020 -13.368 3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.318 -13.040 4.313 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.863 -13.257 2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.418 -15.282 3.739 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.975 -15.660 2.820 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.573 -15.490 4.792 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.886 -14.821 5.741 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.463 -17.650 5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.700 -15.178 6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.756 -16.346 7.014 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.825 -19.145 6.084 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.263 -18.581 6.942 1.00 0.00 H new ATOM 675 N ALA A 47 -3.801 -13.972 0.568 1.00 0.00 N ATOM 676 CA ALA A 47 -3.495 -14.824 -0.575 1.00 0.00 C ATOM 677 C ALA A 47 -1.990 -14.924 -0.797 1.00 0.00 C ATOM 678 O ALA A 47 -1.474 -15.983 -1.154 1.00 0.00 O ATOM 679 CB ALA A 47 -4.181 -14.295 -1.826 1.00 0.00 C ATOM 0 H ALA A 47 -4.395 -13.172 0.351 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.872 -15.824 -0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.944 -14.941 -2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.260 -14.281 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.831 -13.283 -2.033 1.00 0.00 H new ATOM 685 N LEU A 48 -1.289 -13.816 -0.583 1.00 0.00 N ATOM 686 CA LEU A 48 0.158 -13.779 -0.760 1.00 0.00 C ATOM 687 C LEU A 48 0.843 -14.799 0.143 1.00 0.00 C ATOM 688 O LEU A 48 1.941 -15.269 -0.153 1.00 0.00 O ATOM 689 CB LEU A 48 0.693 -12.376 -0.464 1.00 0.00 C ATOM 690 CG LEU A 48 0.117 -11.265 -1.341 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.871 -9.963 -1.120 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.162 -11.666 -2.808 1.00 0.00 C ATOM 0 H LEU A 48 -1.700 -12.931 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 48 0.379 -14.033 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.487 -12.138 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.777 -12.385 -0.581 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.924 -11.110 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.446 -9.184 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.787 -9.667 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.922 -10.103 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.252 -10.863 -3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.195 -11.850 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.425 -12.573 -2.955 1.00 0.00 H new ATOM 704 N GLY A 49 0.186 -15.137 1.249 1.00 0.00 N ATOM 705 CA GLY A 49 0.747 -16.099 2.180 1.00 0.00 C ATOM 706 C GLY A 49 0.858 -15.547 3.587 1.00 0.00 C ATOM 707 O GLY A 49 0.892 -16.304 4.557 1.00 0.00 O ATOM 0 H GLY A 49 -0.724 -14.762 1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.125 -16.994 2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.735 -16.402 1.833 1.00 0.00 H new ATOM 711 N ILE A 50 0.916 -14.224 3.700 1.00 0.00 N ATOM 712 CA ILE A 50 1.025 -13.572 4.999 1.00 0.00 C ATOM 713 C ILE A 50 -0.290 -13.657 5.768 1.00 0.00 C ATOM 714 O ILE A 50 -1.240 -12.928 5.479 1.00 0.00 O ATOM 715 CB ILE A 50 1.427 -12.093 4.854 1.00 0.00 C ATOM 716 CG1 ILE A 50 2.546 -11.944 3.822 1.00 0.00 C ATOM 717 CG2 ILE A 50 1.862 -11.528 6.199 1.00 0.00 C ATOM 718 CD1 ILE A 50 2.043 -11.713 2.414 1.00 0.00 C ATOM 0 H ILE A 50 0.889 -13.583 2.907 1.00 0.00 H new ATOM 0 HA ILE A 50 1.802 -14.099 5.553 1.00 0.00 H new ATOM 0 HB ILE A 50 0.561 -11.529 4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.187 -11.111 4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.164 -12.842 3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.143 -10.482 6.080 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.039 -11.604 6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.716 -12.093 6.572 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.891 -11.617 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.426 -12.557 2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.450 -10.799 2.385 1.00 0.00 H new ATOM 730 N THR A 51 -0.337 -14.550 6.751 1.00 0.00 N ATOM 731 CA THR A 51 -1.534 -14.731 7.563 1.00 0.00 C ATOM 732 C THR A 51 -1.256 -14.417 9.029 1.00 0.00 C ATOM 733 O THR A 51 -2.150 -14.002 9.765 1.00 0.00 O ATOM 734 CB THR A 51 -2.078 -16.167 7.451 1.00 0.00 C ATOM 735 OG1 THR A 51 -1.438 -17.010 8.416 1.00 0.00 O ATOM 736 CG2 THR A 51 -1.850 -16.725 6.054 1.00 0.00 C ATOM 0 H THR A 51 0.440 -15.160 7.004 1.00 0.00 H new ATOM 0 HA THR A 51 -2.283 -14.037 7.181 1.00 0.00 H new ATOM 0 HB THR A 51 -3.150 -16.141 7.645 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.791 -17.921 8.339 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.243 -17.740 5.999 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.362 -16.098 5.324 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.782 -16.737 5.837 1.00 0.00 H new ATOM 744 N LEU A 52 -0.011 -14.618 9.446 1.00 0.00 N ATOM 745 CA LEU A 52 0.386 -14.357 10.825 1.00 0.00 C ATOM 746 C LEU A 52 -0.047 -12.960 11.260 1.00 0.00 C ATOM 747 O LEU A 52 0.500 -11.958 10.799 1.00 0.00 O ATOM 748 CB LEU A 52 1.901 -14.506 10.979 1.00 0.00 C ATOM 749 CG LEU A 52 2.377 -15.905 11.369 1.00 0.00 C ATOM 750 CD1 LEU A 52 3.753 -16.184 10.785 1.00 0.00 C ATOM 751 CD2 LEU A 52 2.398 -16.058 12.882 1.00 0.00 C ATOM 0 H LEU A 52 0.741 -14.961 8.849 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.110 -15.087 11.464 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.376 -14.226 10.039 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.246 -13.798 11.733 1.00 0.00 H new ATOM 0 HG LEU A 52 1.677 -16.633 10.959 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.075 -17.185 11.074 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.707 -16.117 9.698 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.465 -15.451 11.164 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.739 -17.060 13.142 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.076 -15.321 13.313 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.394 -15.903 13.277 1.00 0.00 H new ATOM 763 N MET A 53 -1.032 -12.902 12.149 1.00 0.00 N ATOM 764 CA MET A 53 -1.538 -11.628 12.647 1.00 0.00 C ATOM 765 C MET A 53 -0.405 -10.618 12.804 1.00 0.00 C ATOM 766 O MET A 53 -0.447 -9.530 12.230 1.00 0.00 O ATOM 767 CB MET A 53 -2.250 -11.826 13.987 1.00 0.00 C ATOM 768 CG MET A 53 -3.487 -12.703 13.894 1.00 0.00 C ATOM 769 SD MET A 53 -4.791 -11.962 12.893 1.00 0.00 S ATOM 770 CE MET A 53 -4.782 -13.047 11.467 1.00 0.00 C ATOM 0 H MET A 53 -1.496 -13.722 12.540 1.00 0.00 H new ATOM 0 HA MET A 53 -2.251 -11.239 11.920 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.553 -12.270 14.697 1.00 0.00 H new ATOM 0 HB3 MET A 53 -2.534 -10.852 14.385 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.212 -13.668 13.469 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.868 -12.894 14.897 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.749 -12.998 10.966 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.999 -12.734 10.776 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.593 -14.071 11.790 1.00 0.00 H new ATOM 780 N GLY A 54 0.606 -10.985 13.586 1.00 0.00 N ATOM 781 CA GLY A 54 1.734 -10.099 13.804 1.00 0.00 C ATOM 782 C GLY A 54 2.194 -9.421 12.529 1.00 0.00 C ATOM 783 O GLY A 54 2.537 -8.239 12.534 1.00 0.00 O ATOM 0 H GLY A 54 0.664 -11.880 14.072 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.460 -9.340 14.537 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.562 -10.667 14.229 1.00 0.00 H new ATOM 787 N HIS A 55 2.205 -10.172 11.432 1.00 0.00 N ATOM 788 CA HIS A 55 2.628 -9.637 10.143 1.00 0.00 C ATOM 789 C HIS A 55 1.444 -9.040 9.388 1.00 0.00 C ATOM 790 O HIS A 55 1.449 -7.859 9.043 1.00 0.00 O ATOM 791 CB HIS A 55 3.284 -10.733 9.303 1.00 0.00 C ATOM 792 CG HIS A 55 4.369 -11.472 10.023 1.00 0.00 C ATOM 793 ND1 HIS A 55 4.871 -12.681 9.591 1.00 0.00 N ATOM 794 CD2 HIS A 55 5.050 -11.165 11.152 1.00 0.00 C ATOM 795 CE1 HIS A 55 5.812 -13.088 10.424 1.00 0.00 C ATOM 796 NE2 HIS A 55 5.941 -12.185 11.380 1.00 0.00 N ATOM 0 H HIS A 55 1.926 -11.153 11.410 1.00 0.00 H new ATOM 0 HA HIS A 55 3.355 -8.846 10.326 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.520 -11.443 8.987 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.698 -10.287 8.399 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.917 -10.282 11.760 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.379 -14.003 10.338 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.596 -12.237 12.160 1.00 0.00 H new ATOM 805 N GLN A 56 0.433 -9.865 9.134 1.00 0.00 N ATOM 806 CA GLN A 56 -0.756 -9.418 8.418 1.00 0.00 C ATOM 807 C GLN A 56 -1.158 -8.013 8.855 1.00 0.00 C ATOM 808 O GLN A 56 -1.539 -7.180 8.031 1.00 0.00 O ATOM 809 CB GLN A 56 -1.914 -10.389 8.653 1.00 0.00 C ATOM 810 CG GLN A 56 -2.000 -11.496 7.615 1.00 0.00 C ATOM 811 CD GLN A 56 -3.408 -12.031 7.449 1.00 0.00 C ATOM 812 OE1 GLN A 56 -4.227 -11.953 8.365 1.00 0.00 O ATOM 813 NE2 GLN A 56 -3.698 -12.579 6.274 1.00 0.00 N ATOM 0 H GLN A 56 0.414 -10.846 9.413 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.521 -9.395 7.354 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.807 -10.836 9.641 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.850 -9.831 8.655 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.643 -11.119 6.657 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.337 -12.312 7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.988 -12.623 5.543 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.630 -12.956 6.103 1.00 0.00 H new ATOM 822 N LYS A 57 -1.071 -7.755 10.155 1.00 0.00 N ATOM 823 CA LYS A 57 -1.424 -6.451 10.703 1.00 0.00 C ATOM 824 C LYS A 57 -0.467 -5.373 10.203 1.00 0.00 C ATOM 825 O LYS A 57 -0.875 -4.244 9.930 1.00 0.00 O ATOM 826 CB LYS A 57 -1.405 -6.495 12.232 1.00 0.00 C ATOM 827 CG LYS A 57 -2.506 -7.354 12.830 1.00 0.00 C ATOM 828 CD LYS A 57 -2.931 -6.846 14.197 1.00 0.00 C ATOM 829 CE LYS A 57 -4.092 -5.869 14.092 1.00 0.00 C ATOM 830 NZ LYS A 57 -3.647 -4.525 13.630 1.00 0.00 N ATOM 0 H LYS A 57 -0.758 -8.433 10.850 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.430 -6.204 10.365 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.439 -6.875 12.564 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.498 -5.480 12.617 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.366 -7.362 12.161 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.159 -8.384 12.916 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.219 -7.688 14.826 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.086 -6.358 14.684 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.836 -6.263 13.400 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.578 -5.777 15.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.392 -3.826 13.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.778 -4.255 14.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.460 -4.554 12.607 1.00 0.00 H new ATOM 844 N LYS A 58 0.807 -5.730 10.083 1.00 0.00 N ATOM 845 CA LYS A 58 1.823 -4.795 9.614 1.00 0.00 C ATOM 846 C LYS A 58 1.560 -4.388 8.167 1.00 0.00 C ATOM 847 O LYS A 58 1.331 -3.214 7.875 1.00 0.00 O ATOM 848 CB LYS A 58 3.215 -5.419 9.734 1.00 0.00 C ATOM 849 CG LYS A 58 3.883 -5.161 11.074 1.00 0.00 C ATOM 850 CD LYS A 58 2.860 -5.005 12.186 1.00 0.00 C ATOM 851 CE LYS A 58 3.427 -5.438 13.530 1.00 0.00 C ATOM 852 NZ LYS A 58 2.842 -4.658 14.656 1.00 0.00 N ATOM 0 H LYS A 58 1.161 -6.661 10.304 1.00 0.00 H new ATOM 0 HA LYS A 58 1.777 -3.903 10.239 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.137 -6.495 9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.850 -5.027 8.939 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.556 -5.985 11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.493 -4.260 11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.539 -3.965 12.243 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.976 -5.599 11.954 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.230 -6.499 13.682 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.510 -5.312 13.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.254 -4.983 15.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.051 -3.648 14.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.812 -4.798 14.677 1.00 0.00 H new ATOM 866 N ILE A 59 1.594 -5.365 7.267 1.00 0.00 N ATOM 867 CA ILE A 59 1.357 -5.108 5.852 1.00 0.00 C ATOM 868 C ILE A 59 0.055 -4.342 5.643 1.00 0.00 C ATOM 869 O ILE A 59 0.048 -3.252 5.072 1.00 0.00 O ATOM 870 CB ILE A 59 1.305 -6.417 5.043 1.00 0.00 C ATOM 871 CG1 ILE A 59 2.628 -7.175 5.173 1.00 0.00 C ATOM 872 CG2 ILE A 59 0.998 -6.125 3.582 1.00 0.00 C ATOM 873 CD1 ILE A 59 2.622 -8.524 4.488 1.00 0.00 C ATOM 0 H ILE A 59 1.783 -6.342 7.493 1.00 0.00 H new ATOM 0 HA ILE A 59 2.192 -4.504 5.497 1.00 0.00 H new ATOM 0 HB ILE A 59 0.508 -7.043 5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.429 -6.567 4.752 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.855 -7.314 6.230 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.965 -7.060 3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.034 -5.622 3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.775 -5.483 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.591 -9.004 4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.844 -9.150 4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.426 -8.391 3.424 1.00 0.00 H new ATOM 885 N LEU A 60 -1.046 -4.921 6.111 1.00 0.00 N ATOM 886 CA LEU A 60 -2.356 -4.292 5.977 1.00 0.00 C ATOM 887 C LEU A 60 -2.381 -2.934 6.669 1.00 0.00 C ATOM 888 O LEU A 60 -2.655 -1.911 6.043 1.00 0.00 O ATOM 889 CB LEU A 60 -3.441 -5.198 6.564 1.00 0.00 C ATOM 890 CG LEU A 60 -3.965 -6.278 5.617 1.00 0.00 C ATOM 891 CD1 LEU A 60 -4.811 -7.289 6.375 1.00 0.00 C ATOM 892 CD2 LEU A 60 -4.766 -5.651 4.486 1.00 0.00 C ATOM 0 H LEU A 60 -1.058 -5.824 6.586 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.553 -4.141 4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.045 -5.681 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.279 -4.577 6.881 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.112 -6.801 5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.175 -8.050 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.207 -7.761 7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.659 -6.782 6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.131 -6.434 3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.612 -5.102 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.129 -4.967 3.925 1.00 0.00 H new ATOM 904 N GLY A 61 -2.093 -2.932 7.967 1.00 0.00 N ATOM 905 CA GLY A 61 -2.088 -1.694 8.725 1.00 0.00 C ATOM 906 C GLY A 61 -1.182 -0.644 8.113 1.00 0.00 C ATOM 907 O GLY A 61 -1.416 0.554 8.269 1.00 0.00 O ATOM 0 H GLY A 61 -1.863 -3.766 8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.104 -1.303 8.784 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.765 -1.898 9.746 1.00 0.00 H new ATOM 911 N SER A 62 -0.144 -1.094 7.416 1.00 0.00 N ATOM 912 CA SER A 62 0.804 -0.184 6.783 1.00 0.00 C ATOM 913 C SER A 62 0.215 0.416 5.510 1.00 0.00 C ATOM 914 O SER A 62 0.603 1.505 5.086 1.00 0.00 O ATOM 915 CB SER A 62 2.108 -0.916 6.460 1.00 0.00 C ATOM 916 OG SER A 62 3.099 -0.013 6.001 1.00 0.00 O ATOM 0 H SER A 62 0.062 -2.083 7.275 1.00 0.00 H new ATOM 0 HA SER A 62 1.014 0.626 7.482 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.468 -1.434 7.349 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.924 -1.676 5.700 1.00 0.00 H new ATOM 0 HG SER A 62 3.964 -0.472 5.955 1.00 0.00 H new ATOM 922 N ILE A 63 -0.725 -0.304 4.905 1.00 0.00 N ATOM 923 CA ILE A 63 -1.369 0.157 3.682 1.00 0.00 C ATOM 924 C ILE A 63 -2.554 1.066 3.992 1.00 0.00 C ATOM 925 O ILE A 63 -2.672 2.158 3.438 1.00 0.00 O ATOM 926 CB ILE A 63 -1.855 -1.025 2.822 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.669 -1.886 2.383 1.00 0.00 C ATOM 928 CG2 ILE A 63 -2.626 -0.519 1.612 1.00 0.00 C ATOM 929 CD1 ILE A 63 -1.072 -3.241 1.846 1.00 0.00 C ATOM 0 H ILE A 63 -1.057 -1.208 5.242 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.620 0.719 3.124 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.524 -1.641 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.107 -1.353 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.002 -2.025 3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.963 -1.366 1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.490 0.056 1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.979 0.117 1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.181 -3.796 1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.608 -3.794 2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.719 -3.111 0.978 1.00 0.00 H new ATOM 941 N GLN A 64 -3.427 0.606 4.883 1.00 0.00 N ATOM 942 CA GLN A 64 -4.602 1.379 5.268 1.00 0.00 C ATOM 943 C GLN A 64 -4.229 2.829 5.560 1.00 0.00 C ATOM 944 O GLN A 64 -5.032 3.741 5.359 1.00 0.00 O ATOM 945 CB GLN A 64 -5.269 0.755 6.494 1.00 0.00 C ATOM 946 CG GLN A 64 -4.748 1.300 7.814 1.00 0.00 C ATOM 947 CD GLN A 64 -5.374 2.629 8.185 1.00 0.00 C ATOM 948 OE1 GLN A 64 -6.359 3.055 7.580 1.00 0.00 O ATOM 949 NE2 GLN A 64 -4.805 3.294 9.184 1.00 0.00 N ATOM 0 H GLN A 64 -3.343 -0.296 5.351 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.304 1.365 4.434 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.344 0.926 6.439 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.116 -0.324 6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.946 0.576 8.605 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.666 1.417 7.753 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.990 2.904 9.658 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.183 4.195 9.478 1.00 0.00 H new ATOM 958 N THR A 65 -3.005 3.035 6.035 1.00 0.00 N ATOM 959 CA THR A 65 -2.525 4.373 6.357 1.00 0.00 C ATOM 960 C THR A 65 -1.883 5.034 5.142 1.00 0.00 C ATOM 961 O THR A 65 -1.924 6.254 4.993 1.00 0.00 O ATOM 962 CB THR A 65 -1.504 4.343 7.510 1.00 0.00 C ATOM 963 OG1 THR A 65 -1.103 5.676 7.844 1.00 0.00 O ATOM 964 CG2 THR A 65 -0.282 3.520 7.129 1.00 0.00 C ATOM 0 H THR A 65 -2.328 2.292 6.205 1.00 0.00 H new ATOM 0 HA THR A 65 -3.394 4.953 6.667 1.00 0.00 H new ATOM 0 HB THR A 65 -1.979 3.880 8.375 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.455 5.648 8.579 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.425 3.513 7.959 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.587 2.498 6.904 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.193 3.958 6.251 1.00 0.00 H new ATOM 972 N MET A 66 -1.290 4.219 4.275 1.00 0.00 N ATOM 973 CA MET A 66 -0.641 4.725 3.072 1.00 0.00 C ATOM 974 C MET A 66 -1.662 5.341 2.121 1.00 0.00 C ATOM 975 O MET A 66 -1.382 6.338 1.455 1.00 0.00 O ATOM 976 CB MET A 66 0.118 3.601 2.365 1.00 0.00 C ATOM 977 CG MET A 66 1.568 3.476 2.804 1.00 0.00 C ATOM 978 SD MET A 66 2.615 2.726 1.542 1.00 0.00 S ATOM 979 CE MET A 66 1.822 1.131 1.349 1.00 0.00 C ATOM 0 H MET A 66 -1.246 3.206 4.384 1.00 0.00 H new ATOM 0 HA MET A 66 0.066 5.500 3.370 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.392 2.656 2.552 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.086 3.773 1.289 1.00 0.00 H new ATOM 0 HG2 MET A 66 1.955 4.465 3.051 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.618 2.878 3.714 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.502 0.445 0.844 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.565 0.731 2.330 1.00 0.00 H new ATOM 0 HE3 MET A 66 0.915 1.245 0.755 1.00 0.00 H new ATOM 989 N ARG A 67 -2.847 4.741 2.063 1.00 0.00 N ATOM 990 CA ARG A 67 -3.909 5.230 1.192 1.00 0.00 C ATOM 991 C ARG A 67 -4.744 6.295 1.898 1.00 0.00 C ATOM 992 O ARG A 67 -5.190 7.259 1.278 1.00 0.00 O ATOM 993 CB ARG A 67 -4.807 4.074 0.748 1.00 0.00 C ATOM 994 CG ARG A 67 -5.228 3.159 1.886 1.00 0.00 C ATOM 995 CD ARG A 67 -6.573 2.506 1.607 1.00 0.00 C ATOM 996 NE ARG A 67 -7.320 2.246 2.834 1.00 0.00 N ATOM 997 CZ ARG A 67 -8.637 2.075 2.871 1.00 0.00 C ATOM 998 NH1 ARG A 67 -9.348 2.135 1.753 1.00 0.00 N ATOM 999 NH2 ARG A 67 -9.246 1.842 4.027 1.00 0.00 N ATOM 0 H ARG A 67 -3.095 3.916 2.609 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.446 5.679 0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.699 4.480 0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.282 3.486 -0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.472 2.388 2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.285 3.731 2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.161 3.152 0.955 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.417 1.569 1.072 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.802 2.193 3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.884 2.313 0.862 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.359 2.003 1.784 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.703 1.794 4.889 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.257 1.711 4.053 1.00 0.00 H new ATOM 1013 N ALA A 68 -4.950 6.112 3.198 1.00 0.00 N ATOM 1014 CA ALA A 68 -5.729 7.056 3.989 1.00 0.00 C ATOM 1015 C ALA A 68 -5.141 8.461 3.902 1.00 0.00 C ATOM 1016 O ALA A 68 -5.871 9.451 3.932 1.00 0.00 O ATOM 1017 CB ALA A 68 -5.799 6.600 5.438 1.00 0.00 C ATOM 0 H ALA A 68 -4.588 5.318 3.726 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.739 7.087 3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.384 7.315 6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.272 5.619 5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.791 6.539 5.849 1.00 0.00 H new ATOM 1023 N GLN A 69 -3.819 8.538 3.795 1.00 0.00 N ATOM 1024 CA GLN A 69 -3.134 9.822 3.706 1.00 0.00 C ATOM 1025 C GLN A 69 -3.205 10.379 2.288 1.00 0.00 C ATOM 1026 O GLN A 69 -3.048 11.581 2.073 1.00 0.00 O ATOM 1027 CB GLN A 69 -1.674 9.677 4.137 1.00 0.00 C ATOM 1028 CG GLN A 69 -0.807 8.956 3.117 1.00 0.00 C ATOM 1029 CD GLN A 69 0.673 9.212 3.324 1.00 0.00 C ATOM 1030 OE1 GLN A 69 1.081 9.780 4.337 1.00 0.00 O ATOM 1031 NE2 GLN A 69 1.487 8.792 2.362 1.00 0.00 N ATOM 0 H GLN A 69 -3.201 7.727 3.768 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.635 10.520 4.377 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.258 10.668 4.320 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.635 9.136 5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.998 7.885 3.176 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.090 9.276 2.114 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.106 8.326 1.539 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.493 8.936 2.446 1.00 0.00 H new ATOM 1040 N LEU A 70 -3.441 9.498 1.322 1.00 0.00 N ATOM 1041 CA LEU A 70 -3.532 9.901 -0.077 1.00 0.00 C ATOM 1042 C LEU A 70 -4.838 10.643 -0.345 1.00 0.00 C ATOM 1043 O LEU A 70 -4.993 11.297 -1.377 1.00 0.00 O ATOM 1044 CB LEU A 70 -3.430 8.677 -0.989 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.005 8.232 -1.318 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -1.990 6.784 -1.781 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -1.396 9.138 -2.377 1.00 0.00 C ATOM 0 H LEU A 70 -3.573 8.499 1.482 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.702 10.575 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.954 7.846 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.951 8.893 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.403 8.308 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.967 6.486 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.386 6.145 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.607 6.681 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.382 8.807 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.999 9.094 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.370 10.163 -2.008 1.00 0.00 H new ATOM 1059 N THR A 71 -5.775 10.536 0.591 1.00 0.00 N ATOM 1060 CA THR A 71 -7.068 11.195 0.456 1.00 0.00 C ATOM 1061 C THR A 71 -7.234 12.299 1.494 1.00 0.00 C ATOM 1062 O THR A 71 -8.350 12.732 1.782 1.00 0.00 O ATOM 1063 CB THR A 71 -8.228 10.192 0.602 1.00 0.00 C ATOM 1064 OG1 THR A 71 -8.126 9.503 1.853 1.00 0.00 O ATOM 1065 CG2 THR A 71 -8.219 9.186 -0.539 1.00 0.00 C ATOM 0 H THR A 71 -5.663 9.999 1.451 1.00 0.00 H new ATOM 0 HA THR A 71 -7.097 11.631 -0.543 1.00 0.00 H new ATOM 0 HB THR A 71 -9.166 10.747 0.569 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.868 8.869 1.938 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.047 8.488 -0.415 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.326 9.711 -1.488 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.277 8.637 -0.533 1.00 0.00 H new ATOM 1073 N SER A 72 -6.116 12.752 2.054 1.00 0.00 N ATOM 1074 CA SER A 72 -6.138 13.804 3.063 1.00 0.00 C ATOM 1075 C SER A 72 -6.735 15.088 2.496 1.00 0.00 C ATOM 1076 O SER A 72 -6.807 15.270 1.280 1.00 0.00 O ATOM 1077 CB SER A 72 -4.724 14.071 3.582 1.00 0.00 C ATOM 1078 OG SER A 72 -4.750 14.510 4.929 1.00 0.00 O ATOM 0 H SER A 72 -5.184 12.406 1.826 1.00 0.00 H new ATOM 0 HA SER A 72 -6.763 13.468 3.890 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.127 13.162 3.504 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.241 14.824 2.960 1.00 0.00 H new ATOM 0 HG SER A 72 -3.834 14.672 5.238 1.00 0.00 H new ATOM 1084 N THR A 73 -7.163 15.978 3.386 1.00 0.00 N ATOM 1085 CA THR A 73 -7.755 17.246 2.976 1.00 0.00 C ATOM 1086 C THR A 73 -6.679 18.287 2.686 1.00 0.00 C ATOM 1087 O THR A 73 -6.798 19.067 1.742 1.00 0.00 O ATOM 1088 CB THR A 73 -8.708 17.795 4.054 1.00 0.00 C ATOM 1089 OG1 THR A 73 -9.335 18.995 3.588 1.00 0.00 O ATOM 1090 CG2 THR A 73 -7.958 18.078 5.347 1.00 0.00 C ATOM 0 H THR A 73 -7.111 15.844 4.396 1.00 0.00 H new ATOM 0 HA THR A 73 -8.322 17.051 2.066 1.00 0.00 H new ATOM 0 HB THR A 73 -9.469 17.041 4.252 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.941 19.337 4.278 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.652 18.465 6.093 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.506 17.157 5.715 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.177 18.816 5.161 1.00 0.00 H new ATOM 1098 N GLN A 74 -5.632 18.292 3.504 1.00 0.00 N ATOM 1099 CA GLN A 74 -4.535 19.238 3.334 1.00 0.00 C ATOM 1100 C GLN A 74 -3.304 18.790 4.115 1.00 0.00 C ATOM 1101 O GLN A 74 -3.412 18.311 5.243 1.00 0.00 O ATOM 1102 CB GLN A 74 -4.963 20.634 3.789 1.00 0.00 C ATOM 1103 CG GLN A 74 -3.980 21.728 3.405 1.00 0.00 C ATOM 1104 CD GLN A 74 -3.772 21.825 1.906 1.00 0.00 C ATOM 1105 OE1 GLN A 74 -4.663 22.250 1.171 1.00 0.00 O ATOM 1106 NE2 GLN A 74 -2.591 21.430 1.445 1.00 0.00 N ATOM 0 H GLN A 74 -5.520 17.652 4.291 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.278 19.272 2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.937 20.865 3.358 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -5.086 20.632 4.872 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.342 22.685 3.781 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.022 21.537 3.889 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.881 21.084 2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.394 21.472 0.445 1.00 0.00 H new ATOM 1115 N GLY A 75 -2.133 18.951 3.507 1.00 0.00 N ATOM 1116 CA GLY A 75 -0.898 18.558 4.160 1.00 0.00 C ATOM 1117 C GLY A 75 -0.255 17.351 3.506 1.00 0.00 C ATOM 1118 O GLY A 75 -0.224 16.265 4.086 1.00 0.00 O ATOM 0 H GLY A 75 -2.017 19.347 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.198 19.394 4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.100 18.335 5.208 1.00 0.00 H new ATOM 1122 N SER A 76 0.259 17.539 2.295 1.00 0.00 N ATOM 1123 CA SER A 76 0.900 16.455 1.559 1.00 0.00 C ATOM 1124 C SER A 76 2.100 16.969 0.770 1.00 0.00 C ATOM 1125 O SER A 76 2.235 18.169 0.535 1.00 0.00 O ATOM 1126 CB SER A 76 -0.102 15.792 0.611 1.00 0.00 C ATOM 1127 OG SER A 76 -1.078 15.060 1.332 1.00 0.00 O ATOM 0 H SER A 76 0.244 18.432 1.802 1.00 0.00 H new ATOM 0 HA SER A 76 1.251 15.717 2.280 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.590 16.553 0.002 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.425 15.126 -0.073 1.00 0.00 H new ATOM 0 HG SER A 76 -1.707 14.647 0.704 1.00 0.00 H new ATOM 1133 N GLY A 77 2.971 16.050 0.364 1.00 0.00 N ATOM 1134 CA GLY A 77 4.150 16.429 -0.394 1.00 0.00 C ATOM 1135 C GLY A 77 5.320 16.792 0.498 1.00 0.00 C ATOM 1136 O GLY A 77 5.723 17.952 0.588 1.00 0.00 O ATOM 0 H GLY A 77 2.882 15.050 0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.438 15.606 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.909 17.277 -1.035 1.00 0.00 H new ATOM 1140 N PRO A 78 5.886 15.785 1.178 1.00 0.00 N ATOM 1141 CA PRO A 78 7.025 15.978 2.081 1.00 0.00 C ATOM 1142 C PRO A 78 8.173 16.725 1.412 1.00 0.00 C ATOM 1143 O PRO A 78 8.737 17.659 1.982 1.00 0.00 O ATOM 1144 CB PRO A 78 7.449 14.550 2.431 1.00 0.00 C ATOM 1145 CG PRO A 78 6.217 13.734 2.247 1.00 0.00 C ATOM 1146 CD PRO A 78 5.458 14.376 1.119 1.00 0.00 C ATOM 0 HA PRO A 78 6.759 16.582 2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.253 14.205 1.781 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.817 14.486 3.455 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.466 12.700 2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.620 13.718 3.159 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.704 13.921 0.159 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.381 14.277 1.252 1.00 0.00 H new ATOM 1154 N SER A 79 8.515 16.307 0.197 1.00 0.00 N ATOM 1155 CA SER A 79 9.599 16.935 -0.550 1.00 0.00 C ATOM 1156 C SER A 79 9.221 17.102 -2.019 1.00 0.00 C ATOM 1157 O SER A 79 9.152 16.128 -2.768 1.00 0.00 O ATOM 1158 CB SER A 79 10.877 16.102 -0.433 1.00 0.00 C ATOM 1159 OG SER A 79 11.957 16.727 -1.104 1.00 0.00 O ATOM 0 H SER A 79 8.057 15.537 -0.291 1.00 0.00 H new ATOM 0 HA SER A 79 9.776 17.922 -0.123 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.129 15.963 0.618 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.708 15.111 -0.854 1.00 0.00 H new ATOM 0 HG SER A 79 12.762 16.175 -1.013 1.00 0.00 H new ATOM 1165 N SER A 80 8.977 18.345 -2.423 1.00 0.00 N ATOM 1166 CA SER A 80 8.602 18.641 -3.800 1.00 0.00 C ATOM 1167 C SER A 80 9.782 19.225 -4.571 1.00 0.00 C ATOM 1168 O SER A 80 10.402 20.195 -4.137 1.00 0.00 O ATOM 1169 CB SER A 80 7.424 19.617 -3.832 1.00 0.00 C ATOM 1170 OG SER A 80 7.742 20.822 -3.158 1.00 0.00 O ATOM 0 H SER A 80 9.032 19.163 -1.816 1.00 0.00 H new ATOM 0 HA SER A 80 8.304 17.708 -4.278 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.156 19.835 -4.866 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.553 19.156 -3.367 1.00 0.00 H new ATOM 0 HG SER A 80 8.685 21.041 -3.307 1.00 0.00 H new ATOM 1176 N GLY A 81 10.086 18.626 -5.719 1.00 0.00 N ATOM 1177 CA GLY A 81 11.190 19.099 -6.533 1.00 0.00 C ATOM 1178 C GLY A 81 10.723 19.811 -7.787 1.00 0.00 C ATOM 1179 O GLY A 81 10.151 19.191 -8.684 1.00 0.00 O ATOM 0 H GLY A 81 9.587 17.822 -6.099 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.808 19.776 -5.943 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.820 18.254 -6.812 1.00 0.00 H new TER 1183 GLY A 81