USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 690 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 68 GLN : amide:sc= 1.05 K(o=1,f=-1.2!) USER MOD Set 1.2: A 71 GLN : amide:sc= 0 K(o=1,f=0.036) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.186 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00323 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 12 CYS SG : rot 180:sc= -0.458 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.065) USER MOD Single : A 20 SER OG : rot 59:sc= 0.0384 USER MOD Single : A 24 LYS NZ :NH3+ -144:sc= 1.23 (180deg=-0.364) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.016 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0369 K(o=-0.037,f=-1.1!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0172 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0274) USER MOD Single : A 72 CYS SG : rot 50:sc= -2.38 USER MOD Single : A 76 CYS SG : rot 54:sc= -1.73 USER MOD Single : A 84 LYS NZ :NH3+ -151:sc= -1.89 (180deg=-4.14!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.731 -17.598 7.076 1.00 0.00 N ATOM 2 CA GLY A 1 21.468 -17.036 8.430 1.00 0.00 C ATOM 3 C GLY A 1 20.316 -16.051 8.435 1.00 0.00 C ATOM 4 O GLY A 1 19.302 -16.274 9.097 1.00 0.00 O ATOM 0 H1 GLY A 1 22.527 -18.265 7.126 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.883 -18.095 6.736 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.967 -16.826 6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.249 -17.850 9.122 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.367 -16.540 8.795 1.00 0.00 H new ATOM 10 N SER A 2 20.472 -14.957 7.696 1.00 0.00 N ATOM 11 CA SER A 2 19.436 -13.933 7.618 1.00 0.00 C ATOM 12 C SER A 2 19.538 -13.155 6.310 1.00 0.00 C ATOM 13 O SER A 2 20.605 -13.083 5.700 1.00 0.00 O ATOM 14 CB SER A 2 19.548 -12.975 8.806 1.00 0.00 C ATOM 15 OG SER A 2 18.709 -13.384 9.872 1.00 0.00 O ATOM 0 H SER A 2 21.305 -14.757 7.143 1.00 0.00 H new ATOM 0 HA SER A 2 18.466 -14.428 7.650 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.582 -12.934 9.148 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.276 -11.967 8.491 1.00 0.00 H new ATOM 0 HG SER A 2 18.688 -14.363 9.915 1.00 0.00 H new ATOM 21 N SER A 3 18.420 -12.573 5.886 1.00 0.00 N ATOM 22 CA SER A 3 18.384 -11.799 4.650 1.00 0.00 C ATOM 23 C SER A 3 17.126 -10.939 4.585 1.00 0.00 C ATOM 24 O SER A 3 16.323 -10.924 5.517 1.00 0.00 O ATOM 25 CB SER A 3 18.442 -12.731 3.438 1.00 0.00 C ATOM 26 OG SER A 3 19.036 -12.084 2.326 1.00 0.00 O ATOM 0 H SER A 3 17.529 -12.623 6.379 1.00 0.00 H new ATOM 0 HA SER A 3 19.254 -11.142 4.636 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.012 -13.625 3.690 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.435 -13.058 3.178 1.00 0.00 H new ATOM 0 HG SER A 3 19.063 -12.701 1.565 1.00 0.00 H new ATOM 32 N GLY A 4 16.961 -10.225 3.476 1.00 0.00 N ATOM 33 CA GLY A 4 15.799 -9.373 3.309 1.00 0.00 C ATOM 34 C GLY A 4 16.145 -7.898 3.385 1.00 0.00 C ATOM 35 O GLY A 4 17.240 -7.532 3.808 1.00 0.00 O ATOM 0 H GLY A 4 17.611 -10.222 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.333 -9.584 2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.064 -9.611 4.078 1.00 0.00 H new ATOM 39 N SER A 5 15.207 -7.051 2.973 1.00 0.00 N ATOM 40 CA SER A 5 15.417 -5.607 2.996 1.00 0.00 C ATOM 41 C SER A 5 14.101 -4.870 3.217 1.00 0.00 C ATOM 42 O SER A 5 13.282 -4.752 2.305 1.00 0.00 O ATOM 43 CB SER A 5 16.061 -5.145 1.688 1.00 0.00 C ATOM 44 OG SER A 5 15.992 -3.735 1.557 1.00 0.00 O ATOM 0 H SER A 5 14.295 -7.339 2.619 1.00 0.00 H new ATOM 0 HA SER A 5 16.086 -5.374 3.825 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.102 -5.466 1.658 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.558 -5.617 0.844 1.00 0.00 H new ATOM 0 HG SER A 5 16.412 -3.464 0.714 1.00 0.00 H new ATOM 50 N SER A 6 13.902 -4.374 4.434 1.00 0.00 N ATOM 51 CA SER A 6 12.685 -3.647 4.776 1.00 0.00 C ATOM 52 C SER A 6 12.843 -2.157 4.493 1.00 0.00 C ATOM 53 O SER A 6 13.878 -1.716 3.995 1.00 0.00 O ATOM 54 CB SER A 6 12.332 -3.865 6.249 1.00 0.00 C ATOM 55 OG SER A 6 12.172 -5.243 6.537 1.00 0.00 O ATOM 0 H SER A 6 14.569 -4.463 5.201 1.00 0.00 H new ATOM 0 HA SER A 6 11.876 -4.032 4.155 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.117 -3.447 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.412 -3.331 6.489 1.00 0.00 H new ATOM 0 HG SER A 6 11.949 -5.355 7.485 1.00 0.00 H new ATOM 61 N GLY A 7 11.808 -1.387 4.815 1.00 0.00 N ATOM 62 CA GLY A 7 11.853 0.046 4.589 1.00 0.00 C ATOM 63 C GLY A 7 10.645 0.761 5.162 1.00 0.00 C ATOM 64 O GLY A 7 10.645 1.153 6.329 1.00 0.00 O ATOM 0 H GLY A 7 10.940 -1.729 5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.759 0.453 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.912 0.240 3.518 1.00 0.00 H new ATOM 68 N ILE A 8 9.615 0.932 4.341 1.00 0.00 N ATOM 69 CA ILE A 8 8.397 1.606 4.774 1.00 0.00 C ATOM 70 C ILE A 8 7.402 0.614 5.367 1.00 0.00 C ATOM 71 O ILE A 8 7.340 -0.543 4.950 1.00 0.00 O ATOM 72 CB ILE A 8 7.723 2.354 3.607 1.00 0.00 C ATOM 73 CG1 ILE A 8 8.747 3.211 2.863 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.577 3.213 4.120 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.279 3.660 1.495 1.00 0.00 C ATOM 0 H ILE A 8 9.599 0.613 3.372 1.00 0.00 H new ATOM 0 HA ILE A 8 8.689 2.327 5.538 1.00 0.00 H new ATOM 0 HB ILE A 8 7.317 1.620 2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.980 4.089 3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.672 2.645 2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.111 3.735 3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.838 2.579 4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.960 3.942 4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.055 4.264 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.074 2.787 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.371 4.254 1.598 1.00 0.00 H new ATOM 87 N ASP A 9 6.626 1.073 6.343 1.00 0.00 N ATOM 88 CA ASP A 9 5.634 0.224 6.993 1.00 0.00 C ATOM 89 C ASP A 9 4.531 1.066 7.628 1.00 0.00 C ATOM 90 O ASP A 9 4.473 2.280 7.434 1.00 0.00 O ATOM 91 CB ASP A 9 6.301 -0.654 8.054 1.00 0.00 C ATOM 92 CG ASP A 9 5.948 -2.121 7.893 1.00 0.00 C ATOM 93 OD1 ASP A 9 5.991 -2.620 6.749 1.00 0.00 O ATOM 94 OD2 ASP A 9 5.631 -2.771 8.911 1.00 0.00 O ATOM 0 H ASP A 9 6.665 2.027 6.701 1.00 0.00 H new ATOM 0 HA ASP A 9 5.184 -0.416 6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.383 -0.534 7.994 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.998 -0.316 9.045 1.00 0.00 H new ATOM 99 N VAL A 10 3.658 0.412 8.387 1.00 0.00 N ATOM 100 CA VAL A 10 2.556 1.098 9.050 1.00 0.00 C ATOM 101 C VAL A 10 3.069 2.156 10.021 1.00 0.00 C ATOM 102 O VAL A 10 4.019 1.921 10.767 1.00 0.00 O ATOM 103 CB VAL A 10 1.658 0.108 9.816 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.412 0.808 10.336 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.285 -1.070 8.929 1.00 0.00 C ATOM 0 H VAL A 10 3.693 -0.593 8.558 1.00 0.00 H new ATOM 0 HA VAL A 10 1.970 1.581 8.268 1.00 0.00 H new ATOM 0 HB VAL A 10 2.216 -0.273 10.672 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.210 0.092 10.874 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.702 1.615 11.009 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.151 1.219 9.498 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.651 -1.759 9.487 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.746 -0.709 8.053 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.190 -1.587 8.611 1.00 0.00 H new ATOM 115 N GLY A 11 2.432 3.323 10.005 1.00 0.00 N ATOM 116 CA GLY A 11 2.834 4.401 10.888 1.00 0.00 C ATOM 117 C GLY A 11 4.113 5.079 10.435 1.00 0.00 C ATOM 118 O GLY A 11 5.015 5.314 11.238 1.00 0.00 O ATOM 0 H GLY A 11 1.644 3.541 9.395 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.034 5.140 10.941 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.972 4.008 11.895 1.00 0.00 H new ATOM 122 N CYS A 12 4.190 5.395 9.146 1.00 0.00 N ATOM 123 CA CYS A 12 5.368 6.051 8.591 1.00 0.00 C ATOM 124 C CYS A 12 4.977 7.043 7.498 1.00 0.00 C ATOM 125 O CYS A 12 4.200 6.714 6.602 1.00 0.00 O ATOM 126 CB CYS A 12 6.339 5.011 8.028 1.00 0.00 C ATOM 127 SG CYS A 12 8.067 5.544 8.017 1.00 0.00 S ATOM 0 H CYS A 12 3.452 5.208 8.468 1.00 0.00 H new ATOM 0 HA CYS A 12 5.859 6.600 9.395 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.256 4.097 8.615 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.040 4.764 7.009 1.00 0.00 H new ATOM 0 HG CYS A 12 8.810 4.597 7.526 1.00 0.00 H new ATOM 133 N PRO A 13 5.510 8.278 7.554 1.00 0.00 N ATOM 134 CA PRO A 13 5.208 9.311 6.560 1.00 0.00 C ATOM 135 C PRO A 13 5.942 9.082 5.243 1.00 0.00 C ATOM 136 O PRO A 13 7.169 8.995 5.213 1.00 0.00 O ATOM 137 CB PRO A 13 5.702 10.592 7.231 1.00 0.00 C ATOM 138 CG PRO A 13 6.816 10.145 8.112 1.00 0.00 C ATOM 139 CD PRO A 13 6.447 8.763 8.586 1.00 0.00 C ATOM 0 HA PRO A 13 4.151 9.329 6.294 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.045 11.319 6.495 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.909 11.070 7.806 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.761 10.131 7.569 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.943 10.825 8.955 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.323 8.120 8.665 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.980 8.789 9.571 1.00 0.00 H new ATOM 147 N VAL A 14 5.182 8.983 4.157 1.00 0.00 N ATOM 148 CA VAL A 14 5.763 8.763 2.838 1.00 0.00 C ATOM 149 C VAL A 14 4.922 9.421 1.750 1.00 0.00 C ATOM 150 O VAL A 14 3.693 9.372 1.785 1.00 0.00 O ATOM 151 CB VAL A 14 5.899 7.261 2.527 1.00 0.00 C ATOM 152 CG1 VAL A 14 7.041 6.649 3.323 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.592 6.537 2.812 1.00 0.00 C ATOM 0 H VAL A 14 4.164 9.052 4.164 1.00 0.00 H new ATOM 0 HA VAL A 14 6.755 9.215 2.851 1.00 0.00 H new ATOM 0 HB VAL A 14 6.127 7.148 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.120 5.587 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.974 7.148 3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.848 6.772 4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.707 5.477 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.331 6.658 3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.801 6.957 2.191 1.00 0.00 H new ATOM 163 N LYS A 15 5.593 10.038 0.783 1.00 0.00 N ATOM 164 CA LYS A 15 4.909 10.707 -0.316 1.00 0.00 C ATOM 165 C LYS A 15 4.379 9.693 -1.325 1.00 0.00 C ATOM 166 O LYS A 15 5.049 8.711 -1.644 1.00 0.00 O ATOM 167 CB LYS A 15 5.855 11.688 -1.013 1.00 0.00 C ATOM 168 CG LYS A 15 6.411 12.759 -0.088 1.00 0.00 C ATOM 169 CD LYS A 15 7.214 13.796 -0.857 1.00 0.00 C ATOM 170 CE LYS A 15 7.919 14.764 0.078 1.00 0.00 C ATOM 171 NZ LYS A 15 9.351 14.944 -0.285 1.00 0.00 N ATOM 0 H LYS A 15 6.611 10.088 0.739 1.00 0.00 H new ATOM 0 HA LYS A 15 4.065 11.258 0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.684 11.132 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.325 12.169 -1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.591 13.249 0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.044 12.295 0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.950 13.294 -1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.552 14.349 -1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.413 15.729 0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.848 14.397 1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.796 15.612 0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.840 14.028 -0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.419 15.319 -1.253 1.00 0.00 H new ATOM 185 N VAL A 16 3.172 9.939 -1.824 1.00 0.00 N ATOM 186 CA VAL A 16 2.551 9.048 -2.797 1.00 0.00 C ATOM 187 C VAL A 16 2.294 9.769 -4.117 1.00 0.00 C ATOM 188 O VAL A 16 1.920 10.941 -4.131 1.00 0.00 O ATOM 189 CB VAL A 16 1.220 8.479 -2.270 1.00 0.00 C ATOM 190 CG1 VAL A 16 0.690 7.403 -3.206 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.393 7.933 -0.861 1.00 0.00 C ATOM 0 H VAL A 16 2.605 10.748 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 16 3.248 8.227 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 16 0.490 9.287 -2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.251 7.013 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.524 7.830 -4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.416 6.593 -3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.442 7.535 -0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.139 7.138 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.722 8.734 -0.198 1.00 0.00 H new ATOM 201 N GLN A 17 2.498 9.060 -5.222 1.00 0.00 N ATOM 202 CA GLN A 17 2.288 9.633 -6.546 1.00 0.00 C ATOM 203 C GLN A 17 0.928 9.229 -7.105 1.00 0.00 C ATOM 204 O GLN A 17 0.672 8.050 -7.352 1.00 0.00 O ATOM 205 CB GLN A 17 3.398 9.184 -7.501 1.00 0.00 C ATOM 206 CG GLN A 17 3.420 9.953 -8.811 1.00 0.00 C ATOM 207 CD GLN A 17 4.816 10.082 -9.387 1.00 0.00 C ATOM 208 OE1 GLN A 17 5.456 9.086 -9.724 1.00 0.00 O ATOM 209 NE2 GLN A 17 5.297 11.315 -9.504 1.00 0.00 N ATOM 0 H GLN A 17 2.808 8.088 -5.227 1.00 0.00 H new ATOM 0 HA GLN A 17 2.314 10.719 -6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.362 9.300 -7.005 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.275 8.122 -7.714 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.778 9.450 -9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.003 10.947 -8.651 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.732 12.113 -9.212 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.231 11.464 -9.886 1.00 0.00 H new ATOM 218 N LEU A 18 0.059 10.215 -7.303 1.00 0.00 N ATOM 219 CA LEU A 18 -1.275 9.963 -7.833 1.00 0.00 C ATOM 220 C LEU A 18 -1.327 10.240 -9.332 1.00 0.00 C ATOM 221 O LEU A 18 -1.632 9.352 -10.128 1.00 0.00 O ATOM 222 CB LEU A 18 -2.308 10.827 -7.107 1.00 0.00 C ATOM 223 CG LEU A 18 -2.647 10.375 -5.687 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.699 11.285 -5.074 1.00 0.00 C ATOM 225 CD2 LEU A 18 -3.125 8.930 -5.689 1.00 0.00 C ATOM 0 H LEU A 18 0.255 11.196 -7.104 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.511 8.912 -7.668 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.938 11.852 -7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.225 10.842 -7.696 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.744 10.438 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.928 10.948 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.320 12.307 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.604 11.254 -5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.362 8.624 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.016 8.842 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.340 8.288 -6.087 1.00 0.00 H new ATOM 237 N ARG A 19 -1.026 11.478 -9.710 1.00 0.00 N ATOM 238 CA ARG A 19 -1.037 11.872 -11.114 1.00 0.00 C ATOM 239 C ARG A 19 -0.040 11.045 -11.918 1.00 0.00 C ATOM 240 O ARG A 19 0.788 10.331 -11.354 1.00 0.00 O ATOM 241 CB ARG A 19 -0.713 13.361 -11.251 1.00 0.00 C ATOM 242 CG ARG A 19 -1.944 14.239 -11.409 1.00 0.00 C ATOM 243 CD ARG A 19 -1.573 15.644 -11.854 1.00 0.00 C ATOM 244 NE ARG A 19 -2.727 16.539 -11.863 1.00 0.00 N ATOM 245 CZ ARG A 19 -3.231 17.111 -10.772 1.00 0.00 C ATOM 246 NH1 ARG A 19 -2.687 16.882 -9.583 1.00 0.00 N ATOM 247 NH2 ARG A 19 -4.283 17.913 -10.868 1.00 0.00 N ATOM 0 H ARG A 19 -0.772 12.225 -9.064 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.036 11.688 -11.510 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.156 13.686 -10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.061 13.505 -12.113 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.620 13.792 -12.138 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.482 14.286 -10.462 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.809 16.045 -11.188 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.137 15.605 -12.852 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.173 16.738 -12.758 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.879 16.265 -9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.077 17.323 -8.750 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.707 18.092 -11.779 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.669 18.351 -10.031 1.00 0.00 H new ATOM 261 N SER A 20 -0.126 11.146 -13.241 1.00 0.00 N ATOM 262 CA SER A 20 0.769 10.408 -14.124 1.00 0.00 C ATOM 263 C SER A 20 2.164 11.027 -14.123 1.00 0.00 C ATOM 264 O SER A 20 2.553 11.708 -15.071 1.00 0.00 O ATOM 265 CB SER A 20 0.209 10.384 -15.547 1.00 0.00 C ATOM 266 OG SER A 20 -0.305 11.652 -15.914 1.00 0.00 O ATOM 0 H SER A 20 -0.807 11.732 -13.725 1.00 0.00 H new ATOM 0 HA SER A 20 0.844 9.385 -13.754 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.993 10.090 -16.245 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.579 9.634 -15.619 1.00 0.00 H new ATOM 0 HG SER A 20 0.405 12.324 -15.848 1.00 0.00 H new ATOM 272 N GLY A 21 2.912 10.783 -13.051 1.00 0.00 N ATOM 273 CA GLY A 21 4.255 11.324 -12.947 1.00 0.00 C ATOM 274 C GLY A 21 4.272 12.840 -12.942 1.00 0.00 C ATOM 275 O GLY A 21 4.941 13.461 -13.769 1.00 0.00 O ATOM 0 H GLY A 21 2.613 10.221 -12.254 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.722 10.956 -12.033 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.855 10.960 -13.781 1.00 0.00 H new ATOM 279 N GLU A 22 3.535 13.436 -12.011 1.00 0.00 N ATOM 280 CA GLU A 22 3.467 14.888 -11.903 1.00 0.00 C ATOM 281 C GLU A 22 3.973 15.356 -10.542 1.00 0.00 C ATOM 282 O GLU A 22 5.012 16.008 -10.445 1.00 0.00 O ATOM 283 CB GLU A 22 2.032 15.372 -12.120 1.00 0.00 C ATOM 284 CG GLU A 22 1.943 16.717 -12.821 1.00 0.00 C ATOM 285 CD GLU A 22 2.313 16.635 -14.288 1.00 0.00 C ATOM 286 OE1 GLU A 22 3.503 16.399 -14.587 1.00 0.00 O ATOM 287 OE2 GLU A 22 1.415 16.807 -15.139 1.00 0.00 O ATOM 0 H GLU A 22 2.976 12.935 -11.320 1.00 0.00 H new ATOM 0 HA GLU A 22 4.107 15.314 -12.676 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.492 14.629 -12.707 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.531 15.441 -11.155 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.929 17.105 -12.727 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.603 17.427 -12.323 1.00 0.00 H new ATOM 294 N GLU A 23 3.229 15.020 -9.492 1.00 0.00 N ATOM 295 CA GLU A 23 3.602 15.407 -8.136 1.00 0.00 C ATOM 296 C GLU A 23 3.153 14.354 -7.128 1.00 0.00 C ATOM 297 O GLU A 23 2.200 13.614 -7.371 1.00 0.00 O ATOM 298 CB GLU A 23 2.988 16.763 -7.784 1.00 0.00 C ATOM 299 CG GLU A 23 3.680 17.459 -6.621 1.00 0.00 C ATOM 300 CD GLU A 23 4.108 18.873 -6.959 1.00 0.00 C ATOM 301 OE1 GLU A 23 3.230 19.693 -7.303 1.00 0.00 O ATOM 302 OE2 GLU A 23 5.321 19.161 -6.877 1.00 0.00 O ATOM 0 H GLU A 23 2.365 14.481 -9.554 1.00 0.00 H new ATOM 0 HA GLU A 23 4.688 15.486 -8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.029 17.410 -8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.935 16.624 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.007 17.482 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.554 16.880 -6.324 1.00 0.00 H new ATOM 309 N LYS A 24 3.845 14.295 -5.994 1.00 0.00 N ATOM 310 CA LYS A 24 3.519 13.334 -4.948 1.00 0.00 C ATOM 311 C LYS A 24 2.981 14.042 -3.708 1.00 0.00 C ATOM 312 O LYS A 24 3.317 15.196 -3.446 1.00 0.00 O ATOM 313 CB LYS A 24 4.753 12.507 -4.582 1.00 0.00 C ATOM 314 CG LYS A 24 5.140 11.490 -5.644 1.00 0.00 C ATOM 315 CD LYS A 24 5.705 10.224 -5.020 1.00 0.00 C ATOM 316 CE LYS A 24 6.621 9.489 -5.985 1.00 0.00 C ATOM 317 NZ LYS A 24 6.455 8.012 -5.894 1.00 0.00 N ATOM 0 H LYS A 24 4.635 14.902 -5.777 1.00 0.00 H new ATOM 0 HA LYS A 24 2.745 12.668 -5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.594 13.180 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.566 11.986 -3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.267 11.242 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.878 11.927 -6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.257 10.478 -4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.887 9.568 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.412 9.816 -7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.657 9.751 -5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.377 7.550 -6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.077 7.762 -4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.795 7.691 -6.630 1.00 0.00 H new ATOM 331 N PHE A 25 2.144 13.341 -2.949 1.00 0.00 N ATOM 332 CA PHE A 25 1.560 13.903 -1.736 1.00 0.00 C ATOM 333 C PHE A 25 2.012 13.122 -0.503 1.00 0.00 C ATOM 334 O PHE A 25 2.022 11.891 -0.510 1.00 0.00 O ATOM 335 CB PHE A 25 0.032 13.893 -1.830 1.00 0.00 C ATOM 336 CG PHE A 25 -0.503 14.692 -2.984 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.246 16.049 -3.082 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.260 14.083 -3.971 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.737 16.786 -4.142 1.00 0.00 C ATOM 340 CE2 PHE A 25 -1.754 14.814 -5.035 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.492 16.169 -5.120 1.00 0.00 C ATOM 0 H PHE A 25 1.855 12.384 -3.152 1.00 0.00 H new ATOM 0 HA PHE A 25 1.904 14.933 -1.638 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.312 12.863 -1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.384 14.286 -0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.345 16.537 -2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.467 13.025 -3.909 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.531 17.844 -4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.343 14.328 -5.798 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.877 16.744 -5.949 1.00 0.00 H new ATOM 351 N PRO A 26 2.392 13.828 0.578 1.00 0.00 N ATOM 352 CA PRO A 26 2.845 13.188 1.817 1.00 0.00 C ATOM 353 C PRO A 26 1.697 12.549 2.592 1.00 0.00 C ATOM 354 O PRO A 26 0.603 13.108 2.674 1.00 0.00 O ATOM 355 CB PRO A 26 3.448 14.345 2.612 1.00 0.00 C ATOM 356 CG PRO A 26 2.716 15.551 2.132 1.00 0.00 C ATOM 357 CD PRO A 26 2.411 15.301 0.680 1.00 0.00 C ATOM 0 HA PRO A 26 3.545 12.375 1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.315 14.201 3.684 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.519 14.434 2.432 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.800 15.704 2.702 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.321 16.449 2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.454 15.735 0.391 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.169 15.738 0.030 1.00 0.00 H new ATOM 365 N GLY A 27 1.954 11.376 3.160 1.00 0.00 N ATOM 366 CA GLY A 27 0.933 10.680 3.922 1.00 0.00 C ATOM 367 C GLY A 27 1.510 9.619 4.837 1.00 0.00 C ATOM 368 O GLY A 27 2.534 9.010 4.524 1.00 0.00 O ATOM 0 H GLY A 27 2.851 10.894 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.373 11.402 4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.225 10.216 3.235 1.00 0.00 H new ATOM 372 N VAL A 28 0.852 9.396 5.970 1.00 0.00 N ATOM 373 CA VAL A 28 1.304 8.400 6.933 1.00 0.00 C ATOM 374 C VAL A 28 0.687 7.035 6.638 1.00 0.00 C ATOM 375 O VAL A 28 -0.484 6.940 6.271 1.00 0.00 O ATOM 376 CB VAL A 28 0.953 8.814 8.376 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.553 8.947 8.545 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.524 7.818 9.374 1.00 0.00 C ATOM 0 H VAL A 28 0.004 9.892 6.243 1.00 0.00 H new ATOM 0 HA VAL A 28 2.388 8.333 6.839 1.00 0.00 H new ATOM 0 HB VAL A 28 1.403 9.787 8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.780 9.240 9.570 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.931 9.705 7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.029 7.991 8.327 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.265 8.128 10.386 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.108 6.829 9.180 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.609 7.782 9.272 1.00 0.00 H new ATOM 388 N VAL A 29 1.483 5.983 6.797 1.00 0.00 N ATOM 389 CA VAL A 29 1.013 4.626 6.545 1.00 0.00 C ATOM 390 C VAL A 29 0.052 4.166 7.637 1.00 0.00 C ATOM 391 O VAL A 29 0.337 4.301 8.827 1.00 0.00 O ATOM 392 CB VAL A 29 2.185 3.629 6.457 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.706 2.291 5.914 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.305 4.193 5.594 1.00 0.00 C ATOM 0 H VAL A 29 2.455 6.044 7.099 1.00 0.00 H new ATOM 0 HA VAL A 29 0.492 4.646 5.588 1.00 0.00 H new ATOM 0 HB VAL A 29 2.578 3.469 7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.546 1.599 5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.942 1.882 6.576 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.286 2.432 4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.123 3.474 5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.929 4.385 4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.666 5.124 6.030 1.00 0.00 H new ATOM 404 N ARG A 30 -1.089 3.624 7.223 1.00 0.00 N ATOM 405 CA ARG A 30 -2.093 3.145 8.165 1.00 0.00 C ATOM 406 C ARG A 30 -2.231 1.627 8.097 1.00 0.00 C ATOM 407 O ARG A 30 -2.549 0.977 9.093 1.00 0.00 O ATOM 408 CB ARG A 30 -3.445 3.803 7.881 1.00 0.00 C ATOM 409 CG ARG A 30 -3.364 5.312 7.720 1.00 0.00 C ATOM 410 CD ARG A 30 -3.081 6.001 9.046 1.00 0.00 C ATOM 411 NE ARG A 30 -4.282 6.608 9.615 1.00 0.00 N ATOM 412 CZ ARG A 30 -4.311 7.233 10.790 1.00 0.00 C ATOM 413 NH1 ARG A 30 -3.209 7.336 11.523 1.00 0.00 N ATOM 414 NH2 ARG A 30 -5.446 7.758 11.233 1.00 0.00 N ATOM 0 H ARG A 30 -1.341 3.506 6.242 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.766 3.416 9.169 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.867 3.371 6.973 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.132 3.569 8.694 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.580 5.561 7.005 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.301 5.686 7.308 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.672 5.277 9.751 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.321 6.769 8.901 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.149 6.549 9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.333 6.935 11.187 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.238 7.816 12.422 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.295 7.683 10.673 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.469 8.237 12.133 1.00 0.00 H new ATOM 428 N PHE A 31 -1.994 1.067 6.914 1.00 0.00 N ATOM 429 CA PHE A 31 -2.095 -0.375 6.718 1.00 0.00 C ATOM 430 C PHE A 31 -1.180 -0.836 5.589 1.00 0.00 C ATOM 431 O PHE A 31 -0.659 -0.023 4.827 1.00 0.00 O ATOM 432 CB PHE A 31 -3.541 -0.766 6.410 1.00 0.00 C ATOM 433 CG PHE A 31 -3.816 -2.233 6.578 1.00 0.00 C ATOM 434 CD1 PHE A 31 -4.075 -2.764 7.831 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.814 -3.082 5.482 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.328 -4.114 7.988 1.00 0.00 C ATOM 437 CE2 PHE A 31 -4.065 -4.432 5.633 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.323 -4.948 6.888 1.00 0.00 C ATOM 0 H PHE A 31 -1.731 1.589 6.078 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.780 -0.866 7.639 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.208 -0.203 7.063 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.777 -0.476 5.386 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.079 -2.116 8.695 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.614 -2.683 4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.529 -4.516 8.970 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.060 -5.083 4.771 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.521 -6.003 7.009 1.00 0.00 H new ATOM 448 N ARG A 32 -0.989 -2.148 5.488 1.00 0.00 N ATOM 449 CA ARG A 32 -0.137 -2.719 4.450 1.00 0.00 C ATOM 450 C ARG A 32 -0.548 -4.156 4.143 1.00 0.00 C ATOM 451 O ARG A 32 -0.701 -4.977 5.048 1.00 0.00 O ATOM 452 CB ARG A 32 1.330 -2.675 4.885 1.00 0.00 C ATOM 453 CG ARG A 32 2.288 -3.271 3.865 1.00 0.00 C ATOM 454 CD ARG A 32 3.495 -3.911 4.536 1.00 0.00 C ATOM 455 NE ARG A 32 3.541 -5.356 4.322 1.00 0.00 N ATOM 456 CZ ARG A 32 2.979 -6.250 5.135 1.00 0.00 C ATOM 457 NH1 ARG A 32 2.325 -5.856 6.222 1.00 0.00 N ATOM 458 NH2 ARG A 32 3.072 -7.543 4.862 1.00 0.00 N ATOM 0 H ARG A 32 -1.412 -2.835 6.112 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.257 -2.124 3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.613 -1.639 5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.437 -3.212 5.828 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.765 -4.018 3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.622 -2.491 3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.407 -3.458 4.148 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.467 -3.704 5.606 1.00 0.00 H new ATOM 0 HE ARG A 32 4.034 -5.702 3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.250 -4.862 6.440 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.898 -6.547 6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.574 -7.854 4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.642 -8.228 5.484 1.00 0.00 H new ATOM 472 N GLY A 33 -0.726 -4.454 2.859 1.00 0.00 N ATOM 473 CA GLY A 33 -1.119 -5.791 2.455 1.00 0.00 C ATOM 474 C GLY A 33 -1.701 -5.827 1.054 1.00 0.00 C ATOM 475 O GLY A 33 -2.285 -4.843 0.599 1.00 0.00 O ATOM 0 H GLY A 33 -0.605 -3.793 2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.253 -6.451 2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.854 -6.179 3.160 1.00 0.00 H new ATOM 479 N PRO A 34 -1.559 -6.957 0.340 1.00 0.00 N ATOM 480 CA PRO A 34 -2.082 -7.102 -1.023 1.00 0.00 C ATOM 481 C PRO A 34 -3.606 -7.137 -1.057 1.00 0.00 C ATOM 482 O PRO A 34 -4.263 -7.011 -0.023 1.00 0.00 O ATOM 483 CB PRO A 34 -1.506 -8.442 -1.485 1.00 0.00 C ATOM 484 CG PRO A 34 -1.256 -9.202 -0.229 1.00 0.00 C ATOM 485 CD PRO A 34 -0.876 -8.179 0.805 1.00 0.00 C ATOM 0 HA PRO A 34 -1.802 -6.262 -1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.204 -8.970 -2.134 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.586 -8.302 -2.053 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.145 -9.754 0.077 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.459 -9.932 -0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.208 -8.471 1.801 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.204 -8.041 0.857 1.00 0.00 H new ATOM 493 N LEU A 35 -4.163 -7.309 -2.251 1.00 0.00 N ATOM 494 CA LEU A 35 -5.610 -7.361 -2.421 1.00 0.00 C ATOM 495 C LEU A 35 -6.046 -8.717 -2.967 1.00 0.00 C ATOM 496 O LEU A 35 -6.951 -9.353 -2.427 1.00 0.00 O ATOM 497 CB LEU A 35 -6.074 -6.246 -3.362 1.00 0.00 C ATOM 498 CG LEU A 35 -5.378 -4.899 -3.163 1.00 0.00 C ATOM 499 CD1 LEU A 35 -5.479 -4.055 -4.423 1.00 0.00 C ATOM 500 CD2 LEU A 35 -5.979 -4.161 -1.975 1.00 0.00 C ATOM 0 H LEU A 35 -3.633 -7.415 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.071 -7.218 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.916 -6.571 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.147 -6.106 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.323 -5.082 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.978 -3.100 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.003 -4.580 -5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.528 -3.879 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.473 -3.204 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.041 -3.989 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.855 -4.761 -1.073 1.00 0.00 H new ATOM 512 N LEU A 36 -5.394 -9.154 -4.040 1.00 0.00 N ATOM 513 CA LEU A 36 -5.713 -10.435 -4.660 1.00 0.00 C ATOM 514 C LEU A 36 -4.515 -11.377 -4.608 1.00 0.00 C ATOM 515 O LEU A 36 -3.458 -11.025 -4.084 1.00 0.00 O ATOM 516 CB LEU A 36 -6.155 -10.228 -6.112 1.00 0.00 C ATOM 517 CG LEU A 36 -7.668 -10.218 -6.333 1.00 0.00 C ATOM 518 CD1 LEU A 36 -8.001 -9.693 -7.721 1.00 0.00 C ATOM 519 CD2 LEU A 36 -8.244 -11.612 -6.135 1.00 0.00 C ATOM 0 H LEU A 36 -4.642 -8.640 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.532 -10.888 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.745 -9.284 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.719 -11.017 -6.725 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.120 -9.552 -5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.082 -9.693 -7.860 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.622 -8.677 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.538 -10.333 -8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.322 -11.587 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.787 -12.299 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.037 -11.950 -5.120 1.00 0.00 H new ATOM 531 N ALA A 37 -4.687 -12.576 -5.155 1.00 0.00 N ATOM 532 CA ALA A 37 -3.621 -13.570 -5.171 1.00 0.00 C ATOM 533 C ALA A 37 -3.193 -13.940 -3.755 1.00 0.00 C ATOM 534 O ALA A 37 -2.173 -13.464 -3.258 1.00 0.00 O ATOM 535 CB ALA A 37 -2.430 -13.052 -5.964 1.00 0.00 C ATOM 0 H ALA A 37 -5.555 -12.883 -5.593 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.004 -14.469 -5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.641 -13.804 -5.968 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.738 -12.844 -6.989 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.057 -12.137 -5.504 1.00 0.00 H new ATOM 541 N GLU A 38 -3.981 -14.794 -3.109 1.00 0.00 N ATOM 542 CA GLU A 38 -3.684 -15.229 -1.749 1.00 0.00 C ATOM 543 C GLU A 38 -2.726 -16.416 -1.755 1.00 0.00 C ATOM 544 O GLU A 38 -1.919 -16.579 -0.841 1.00 0.00 O ATOM 545 CB GLU A 38 -4.974 -15.604 -1.018 1.00 0.00 C ATOM 546 CG GLU A 38 -5.944 -14.445 -0.863 1.00 0.00 C ATOM 547 CD GLU A 38 -7.386 -14.855 -1.098 1.00 0.00 C ATOM 548 OE1 GLU A 38 -7.647 -15.562 -2.093 1.00 0.00 O ATOM 549 OE2 GLU A 38 -8.253 -14.469 -0.286 1.00 0.00 O ATOM 0 H GLU A 38 -4.830 -15.198 -3.505 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.206 -14.401 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.468 -16.410 -1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.723 -15.991 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.848 -14.027 0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.676 -13.655 -1.565 1.00 0.00 H new ATOM 556 N ARG A 39 -2.822 -17.242 -2.792 1.00 0.00 N ATOM 557 CA ARG A 39 -1.964 -18.415 -2.919 1.00 0.00 C ATOM 558 C ARG A 39 -0.552 -18.013 -3.331 1.00 0.00 C ATOM 559 O ARG A 39 0.425 -18.650 -2.937 1.00 0.00 O ATOM 560 CB ARG A 39 -2.548 -19.392 -3.939 1.00 0.00 C ATOM 561 CG ARG A 39 -3.860 -20.022 -3.498 1.00 0.00 C ATOM 562 CD ARG A 39 -3.687 -21.493 -3.155 1.00 0.00 C ATOM 563 NE ARG A 39 -3.549 -22.321 -4.351 1.00 0.00 N ATOM 564 CZ ARG A 39 -3.059 -23.559 -4.343 1.00 0.00 C ATOM 565 NH1 ARG A 39 -2.658 -24.114 -3.207 1.00 0.00 N ATOM 566 NH2 ARG A 39 -2.969 -24.243 -5.476 1.00 0.00 N ATOM 0 H ARG A 39 -3.486 -17.121 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.913 -18.905 -1.947 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.705 -18.869 -4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.822 -20.182 -4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.247 -19.488 -2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.599 -19.917 -4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.807 -21.617 -2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.545 -21.833 -2.575 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.845 -21.928 -5.244 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.724 -23.592 -2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.284 -25.063 -3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.275 -23.820 -6.352 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.594 -25.191 -5.471 1.00 0.00 H new ATOM 580 N THR A 40 -0.453 -16.953 -4.127 1.00 0.00 N ATOM 581 CA THR A 40 0.840 -16.467 -4.594 1.00 0.00 C ATOM 582 C THR A 40 0.865 -14.942 -4.636 1.00 0.00 C ATOM 583 O THR A 40 -0.003 -14.313 -5.241 1.00 0.00 O ATOM 584 CB THR A 40 1.151 -17.032 -5.981 1.00 0.00 C ATOM 585 OG1 THR A 40 0.689 -18.366 -6.094 1.00 0.00 O ATOM 586 CG2 THR A 40 2.627 -17.027 -6.312 1.00 0.00 C ATOM 0 H THR A 40 -1.252 -16.415 -4.462 1.00 0.00 H new ATOM 0 HA THR A 40 1.602 -16.806 -3.892 1.00 0.00 H new ATOM 0 HB THR A 40 0.636 -16.375 -6.682 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.896 -18.709 -6.988 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.778 -17.441 -7.309 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.003 -16.004 -6.283 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.165 -17.633 -5.583 1.00 0.00 H new ATOM 594 N VAL A 41 1.866 -14.354 -3.988 1.00 0.00 N ATOM 595 CA VAL A 41 2.004 -12.904 -3.952 1.00 0.00 C ATOM 596 C VAL A 41 2.388 -12.354 -5.323 1.00 0.00 C ATOM 597 O VAL A 41 3.445 -12.682 -5.860 1.00 0.00 O ATOM 598 CB VAL A 41 3.059 -12.466 -2.915 1.00 0.00 C ATOM 599 CG1 VAL A 41 4.430 -13.022 -3.275 1.00 0.00 C ATOM 600 CG2 VAL A 41 3.104 -10.949 -2.804 1.00 0.00 C ATOM 0 H VAL A 41 2.593 -14.860 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 41 1.034 -12.499 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 41 2.773 -12.870 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.159 -12.701 -2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.387 -14.111 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.726 -12.652 -4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.854 -10.660 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.362 -10.521 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.128 -10.578 -2.492 1.00 0.00 H new ATOM 610 N SER A 42 1.521 -11.516 -5.882 1.00 0.00 N ATOM 611 CA SER A 42 1.769 -10.920 -7.191 1.00 0.00 C ATOM 612 C SER A 42 2.053 -9.428 -7.064 1.00 0.00 C ATOM 613 O SER A 42 2.930 -8.892 -7.743 1.00 0.00 O ATOM 614 CB SER A 42 0.569 -11.147 -8.112 1.00 0.00 C ATOM 615 OG SER A 42 0.940 -11.020 -9.475 1.00 0.00 O ATOM 0 H SER A 42 0.641 -11.234 -5.450 1.00 0.00 H new ATOM 0 HA SER A 42 2.646 -11.402 -7.623 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.154 -12.139 -7.936 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.215 -10.427 -7.877 1.00 0.00 H new ATOM 0 HG SER A 42 0.156 -11.171 -10.043 1.00 0.00 H new ATOM 621 N GLY A 43 1.306 -8.761 -6.191 1.00 0.00 N ATOM 622 CA GLY A 43 1.493 -7.335 -5.992 1.00 0.00 C ATOM 623 C GLY A 43 0.952 -6.860 -4.658 1.00 0.00 C ATOM 624 O GLY A 43 -0.252 -6.925 -4.409 1.00 0.00 O ATOM 0 H GLY A 43 0.575 -9.182 -5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.555 -7.099 -6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.997 -6.791 -6.796 1.00 0.00 H new ATOM 628 N ILE A 44 1.844 -6.380 -3.797 1.00 0.00 N ATOM 629 CA ILE A 44 1.451 -5.892 -2.481 1.00 0.00 C ATOM 630 C ILE A 44 1.173 -4.393 -2.512 1.00 0.00 C ATOM 631 O ILE A 44 1.680 -3.675 -3.374 1.00 0.00 O ATOM 632 CB ILE A 44 2.536 -6.179 -1.427 1.00 0.00 C ATOM 633 CG1 ILE A 44 2.978 -7.643 -1.504 1.00 0.00 C ATOM 634 CG2 ILE A 44 2.023 -5.848 -0.033 1.00 0.00 C ATOM 635 CD1 ILE A 44 4.226 -7.854 -2.334 1.00 0.00 C ATOM 0 H ILE A 44 2.844 -6.319 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 44 0.540 -6.423 -2.206 1.00 0.00 H new ATOM 0 HB ILE A 44 3.399 -5.546 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.155 -8.014 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.167 -8.238 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.802 -6.056 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.753 -4.793 0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.146 -6.457 0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.481 -8.914 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.047 -7.514 -3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.050 -7.287 -1.902 1.00 0.00 H new ATOM 647 N PHE A 45 0.363 -3.926 -1.567 1.00 0.00 N ATOM 648 CA PHE A 45 0.016 -2.513 -1.486 1.00 0.00 C ATOM 649 C PHE A 45 0.321 -1.955 -0.099 1.00 0.00 C ATOM 650 O PHE A 45 0.385 -2.699 0.879 1.00 0.00 O ATOM 651 CB PHE A 45 -1.462 -2.308 -1.817 1.00 0.00 C ATOM 652 CG PHE A 45 -1.810 -2.632 -3.241 1.00 0.00 C ATOM 653 CD1 PHE A 45 -1.771 -3.941 -3.698 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.175 -1.629 -4.125 1.00 0.00 C ATOM 655 CE1 PHE A 45 -2.090 -4.242 -5.008 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.495 -1.925 -5.437 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.453 -3.233 -5.879 1.00 0.00 C ATOM 0 H PHE A 45 -0.065 -4.507 -0.846 1.00 0.00 H new ATOM 0 HA PHE A 45 0.622 -1.975 -2.215 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.064 -2.930 -1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.731 -1.272 -1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.488 -4.734 -3.022 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.210 -0.604 -3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.056 -5.266 -5.351 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.778 -1.134 -6.116 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.703 -3.466 -6.903 1.00 0.00 H new ATOM 667 N PHE A 46 0.506 -0.642 -0.023 1.00 0.00 N ATOM 668 CA PHE A 46 0.803 0.018 1.244 1.00 0.00 C ATOM 669 C PHE A 46 -0.169 1.163 1.503 1.00 0.00 C ATOM 670 O PHE A 46 -0.125 2.193 0.830 1.00 0.00 O ATOM 671 CB PHE A 46 2.240 0.546 1.244 1.00 0.00 C ATOM 672 CG PHE A 46 3.272 -0.518 1.486 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.420 -1.572 0.598 1.00 0.00 C ATOM 674 CD2 PHE A 46 4.093 -0.464 2.600 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.371 -2.552 0.818 1.00 0.00 C ATOM 676 CE2 PHE A 46 5.044 -1.440 2.826 1.00 0.00 C ATOM 677 CZ PHE A 46 5.183 -2.486 1.934 1.00 0.00 C ATOM 0 H PHE A 46 0.456 -0.013 -0.824 1.00 0.00 H new ATOM 0 HA PHE A 46 0.692 -0.717 2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.442 1.025 0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.336 1.314 2.011 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.786 -1.629 -0.275 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.988 0.351 3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.479 -3.368 0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.678 -1.386 3.699 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.925 -3.251 2.109 1.00 0.00 H new ATOM 687 N GLY A 47 -1.047 0.977 2.484 1.00 0.00 N ATOM 688 CA GLY A 47 -2.017 2.004 2.816 1.00 0.00 C ATOM 689 C GLY A 47 -1.367 3.246 3.394 1.00 0.00 C ATOM 690 O GLY A 47 -0.519 3.153 4.280 1.00 0.00 O ATOM 0 H GLY A 47 -1.104 0.133 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.578 2.273 1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.734 1.605 3.533 1.00 0.00 H new ATOM 694 N VAL A 48 -1.762 4.409 2.888 1.00 0.00 N ATOM 695 CA VAL A 48 -1.210 5.673 3.360 1.00 0.00 C ATOM 696 C VAL A 48 -2.270 6.768 3.371 1.00 0.00 C ATOM 697 O VAL A 48 -2.978 6.973 2.384 1.00 0.00 O ATOM 698 CB VAL A 48 -0.028 6.129 2.485 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.658 7.340 3.099 1.00 0.00 C ATOM 700 CG2 VAL A 48 0.962 4.990 2.291 1.00 0.00 C ATOM 0 H VAL A 48 -2.462 4.502 2.152 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.858 5.503 4.377 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.415 6.417 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.490 7.647 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.056 8.159 3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.032 7.083 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.791 5.330 1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.343 4.670 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.463 4.153 1.803 1.00 0.00 H new ATOM 710 N GLU A 49 -2.373 7.472 4.494 1.00 0.00 N ATOM 711 CA GLU A 49 -3.347 8.549 4.635 1.00 0.00 C ATOM 712 C GLU A 49 -2.766 9.873 4.148 1.00 0.00 C ATOM 713 O GLU A 49 -1.794 10.379 4.708 1.00 0.00 O ATOM 714 CB GLU A 49 -3.788 8.678 6.095 1.00 0.00 C ATOM 715 CG GLU A 49 -4.891 9.701 6.309 1.00 0.00 C ATOM 716 CD GLU A 49 -4.962 10.188 7.742 1.00 0.00 C ATOM 717 OE1 GLU A 49 -3.921 10.631 8.272 1.00 0.00 O ATOM 718 OE2 GLU A 49 -6.060 10.128 8.336 1.00 0.00 O ATOM 0 H GLU A 49 -1.794 7.316 5.319 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.214 8.305 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.132 7.706 6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.926 8.953 6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.726 10.552 5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.849 9.261 6.030 1.00 0.00 H new ATOM 725 N LEU A 50 -3.367 10.427 3.102 1.00 0.00 N ATOM 726 CA LEU A 50 -2.909 11.692 2.538 1.00 0.00 C ATOM 727 C LEU A 50 -2.977 12.808 3.576 1.00 0.00 C ATOM 728 O LEU A 50 -3.988 12.976 4.256 1.00 0.00 O ATOM 729 CB LEU A 50 -3.751 12.065 1.316 1.00 0.00 C ATOM 730 CG LEU A 50 -3.739 11.037 0.184 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.891 11.285 -0.776 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.409 11.074 -0.555 1.00 0.00 C ATOM 0 H LEU A 50 -4.173 10.021 2.627 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.870 11.568 2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.781 12.218 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.394 13.018 0.925 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.864 10.045 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.865 10.543 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.836 11.207 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.799 12.283 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.418 10.336 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.255 12.067 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.600 10.845 0.139 1.00 0.00 H new ATOM 744 N LEU A 51 -1.892 13.567 3.691 1.00 0.00 N ATOM 745 CA LEU A 51 -1.827 14.668 4.644 1.00 0.00 C ATOM 746 C LEU A 51 -2.591 15.882 4.125 1.00 0.00 C ATOM 747 O LEU A 51 -3.160 15.849 3.034 1.00 0.00 O ATOM 748 CB LEU A 51 -0.371 15.046 4.922 1.00 0.00 C ATOM 749 CG LEU A 51 0.282 14.294 6.084 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.781 14.543 6.106 1.00 0.00 C ATOM 751 CD2 LEU A 51 -0.350 14.706 7.405 1.00 0.00 C ATOM 0 H LEU A 51 -1.046 13.439 3.136 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.292 14.339 5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.214 14.868 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.322 16.115 5.128 1.00 0.00 H new ATOM 0 HG LEU A 51 0.116 13.226 5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.228 14.000 6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.221 14.198 5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.971 15.610 6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.126 14.162 8.221 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.214 15.777 7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.415 14.474 7.387 1.00 0.00 H new ATOM 763 N GLU A 52 -2.599 16.953 4.913 1.00 0.00 N ATOM 764 CA GLU A 52 -3.293 18.180 4.534 1.00 0.00 C ATOM 765 C GLU A 52 -2.848 18.661 3.156 1.00 0.00 C ATOM 766 O GLU A 52 -3.617 19.288 2.428 1.00 0.00 O ATOM 767 CB GLU A 52 -3.043 19.274 5.573 1.00 0.00 C ATOM 768 CG GLU A 52 -1.572 19.604 5.766 1.00 0.00 C ATOM 769 CD GLU A 52 -1.346 21.050 6.162 1.00 0.00 C ATOM 770 OE1 GLU A 52 -2.133 21.915 5.724 1.00 0.00 O ATOM 771 OE2 GLU A 52 -0.383 21.317 6.912 1.00 0.00 O ATOM 0 H GLU A 52 -2.132 16.996 5.819 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.360 17.962 4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.573 20.178 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.465 18.960 6.528 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.155 18.952 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.032 19.396 4.842 1.00 0.00 H new ATOM 778 N GLU A 53 -1.601 18.360 2.803 1.00 0.00 N ATOM 779 CA GLU A 53 -1.056 18.761 1.512 1.00 0.00 C ATOM 780 C GLU A 53 -1.853 18.141 0.368 1.00 0.00 C ATOM 781 O GLU A 53 -2.353 18.846 -0.508 1.00 0.00 O ATOM 782 CB GLU A 53 0.415 18.353 1.406 1.00 0.00 C ATOM 783 CG GLU A 53 1.384 19.497 1.659 1.00 0.00 C ATOM 784 CD GLU A 53 1.931 19.496 3.073 1.00 0.00 C ATOM 785 OE1 GLU A 53 2.313 18.412 3.560 1.00 0.00 O ATOM 786 OE2 GLU A 53 1.977 20.580 3.692 1.00 0.00 O ATOM 0 H GLU A 53 -0.951 17.841 3.393 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.130 19.846 1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.614 17.554 2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.599 17.945 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.212 19.430 0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.879 20.444 1.469 1.00 0.00 H new ATOM 793 N GLY A 54 -1.969 16.817 0.385 1.00 0.00 N ATOM 794 CA GLY A 54 -2.708 16.124 -0.654 1.00 0.00 C ATOM 795 C GLY A 54 -3.984 15.491 -0.135 1.00 0.00 C ATOM 796 O GLY A 54 -4.409 14.444 -0.623 1.00 0.00 O ATOM 0 H GLY A 54 -1.565 16.212 1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.953 16.826 -1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.075 15.352 -1.092 1.00 0.00 H new ATOM 800 N ARG A 55 -4.596 16.129 0.858 1.00 0.00 N ATOM 801 CA ARG A 55 -5.831 15.622 1.445 1.00 0.00 C ATOM 802 C ARG A 55 -7.006 15.821 0.494 1.00 0.00 C ATOM 803 O ARG A 55 -7.165 16.888 -0.101 1.00 0.00 O ATOM 804 CB ARG A 55 -6.111 16.323 2.776 1.00 0.00 C ATOM 805 CG ARG A 55 -6.619 15.387 3.860 1.00 0.00 C ATOM 806 CD ARG A 55 -6.488 16.010 5.241 1.00 0.00 C ATOM 807 NE ARG A 55 -6.604 15.016 6.304 1.00 0.00 N ATOM 808 CZ ARG A 55 -6.873 15.315 7.573 1.00 0.00 C ATOM 809 NH1 ARG A 55 -7.057 16.577 7.940 1.00 0.00 N ATOM 810 NH2 ARG A 55 -6.961 14.349 8.477 1.00 0.00 N ATOM 0 H ARG A 55 -4.257 16.997 1.272 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.709 14.554 1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.197 16.805 3.123 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.846 17.112 2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.663 15.140 3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.059 14.452 3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.525 16.515 5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.258 16.770 5.370 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.471 14.035 6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.993 17.324 7.248 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.263 16.800 8.914 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.823 13.377 8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.167 14.578 9.449 1.00 0.00 H new ATOM 824 N GLY A 56 -7.830 14.787 0.354 1.00 0.00 N ATOM 825 CA GLY A 56 -8.981 14.868 -0.526 1.00 0.00 C ATOM 826 C GLY A 56 -8.724 14.232 -1.879 1.00 0.00 C ATOM 827 O GLY A 56 -9.267 14.671 -2.892 1.00 0.00 O ATOM 0 H GLY A 56 -7.721 13.894 0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.831 14.377 -0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.254 15.914 -0.666 1.00 0.00 H new ATOM 831 N GLN A 57 -7.893 13.195 -1.894 1.00 0.00 N ATOM 832 CA GLN A 57 -7.565 12.498 -3.131 1.00 0.00 C ATOM 833 C GLN A 57 -7.416 10.999 -2.889 1.00 0.00 C ATOM 834 O GLN A 57 -6.608 10.332 -3.536 1.00 0.00 O ATOM 835 CB GLN A 57 -6.274 13.059 -3.731 1.00 0.00 C ATOM 836 CG GLN A 57 -6.402 14.497 -4.208 1.00 0.00 C ATOM 837 CD GLN A 57 -7.072 14.605 -5.563 1.00 0.00 C ATOM 838 OE1 GLN A 57 -6.904 13.739 -6.422 1.00 0.00 O ATOM 839 NE2 GLN A 57 -7.837 15.672 -5.762 1.00 0.00 N ATOM 0 H GLN A 57 -7.435 12.819 -1.064 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.383 12.655 -3.834 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.481 13.001 -2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.970 12.432 -4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.974 15.068 -3.477 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.411 14.948 -4.260 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.948 16.365 -5.022 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.314 15.799 -6.655 1.00 0.00 H new ATOM 848 N GLY A 58 -8.201 10.475 -1.953 1.00 0.00 N ATOM 849 CA GLY A 58 -8.142 9.060 -1.642 1.00 0.00 C ATOM 850 C GLY A 58 -9.256 8.273 -2.304 1.00 0.00 C ATOM 851 O GLY A 58 -10.356 8.788 -2.501 1.00 0.00 O ATOM 0 H GLY A 58 -8.877 11.006 -1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.180 8.661 -1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.199 8.926 -0.562 1.00 0.00 H new ATOM 855 N PHE A 59 -8.971 7.022 -2.649 1.00 0.00 N ATOM 856 CA PHE A 59 -9.958 6.163 -3.293 1.00 0.00 C ATOM 857 C PHE A 59 -10.423 5.062 -2.345 1.00 0.00 C ATOM 858 O PHE A 59 -11.623 4.854 -2.162 1.00 0.00 O ATOM 859 CB PHE A 59 -9.375 5.544 -4.565 1.00 0.00 C ATOM 860 CG PHE A 59 -8.037 4.895 -4.359 1.00 0.00 C ATOM 861 CD1 PHE A 59 -6.874 5.647 -4.402 1.00 0.00 C ATOM 862 CD2 PHE A 59 -7.942 3.534 -4.123 1.00 0.00 C ATOM 863 CE1 PHE A 59 -5.641 5.053 -4.213 1.00 0.00 C ATOM 864 CE2 PHE A 59 -6.711 2.933 -3.933 1.00 0.00 C ATOM 865 CZ PHE A 59 -5.559 3.695 -3.978 1.00 0.00 C ATOM 0 H PHE A 59 -8.065 6.580 -2.494 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.819 6.777 -3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -10.074 4.802 -4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.280 6.319 -5.326 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.932 6.710 -4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.840 2.935 -4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.742 5.650 -4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.650 1.870 -3.750 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.596 3.229 -3.830 1.00 0.00 H new ATOM 875 N THR A 60 -9.467 4.362 -1.743 1.00 0.00 N ATOM 876 CA THR A 60 -9.781 3.284 -0.814 1.00 0.00 C ATOM 877 C THR A 60 -10.400 3.834 0.469 1.00 0.00 C ATOM 878 O THR A 60 -11.431 3.346 0.931 1.00 0.00 O ATOM 879 CB THR A 60 -8.523 2.478 -0.485 1.00 0.00 C ATOM 880 OG1 THR A 60 -8.820 1.431 0.420 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.418 3.313 0.127 1.00 0.00 C ATOM 0 H THR A 60 -8.469 4.522 -1.882 1.00 0.00 H new ATOM 0 HA THR A 60 -10.506 2.627 -1.293 1.00 0.00 H new ATOM 0 HB THR A 60 -8.174 2.087 -1.441 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.003 0.927 0.616 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.556 2.679 0.335 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.129 4.101 -0.569 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.772 3.761 1.056 1.00 0.00 H new ATOM 889 N ASP A 61 -9.763 4.853 1.038 1.00 0.00 N ATOM 890 CA ASP A 61 -10.251 5.472 2.267 1.00 0.00 C ATOM 891 C ASP A 61 -10.453 4.431 3.363 1.00 0.00 C ATOM 892 O ASP A 61 -11.321 4.580 4.223 1.00 0.00 O ATOM 893 CB ASP A 61 -11.564 6.212 2.003 1.00 0.00 C ATOM 894 CG ASP A 61 -11.495 7.092 0.770 1.00 0.00 C ATOM 895 OD1 ASP A 61 -10.375 7.502 0.396 1.00 0.00 O ATOM 896 OD2 ASP A 61 -12.558 7.371 0.178 1.00 0.00 O ATOM 0 H ASP A 61 -8.908 5.268 0.668 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.499 6.185 2.605 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.369 5.487 1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.813 6.825 2.870 1.00 0.00 H new ATOM 901 N GLY A 62 -9.645 3.376 3.327 1.00 0.00 N ATOM 902 CA GLY A 62 -9.753 2.325 4.321 1.00 0.00 C ATOM 903 C GLY A 62 -10.382 1.063 3.765 1.00 0.00 C ATOM 904 O GLY A 62 -10.129 -0.035 4.262 1.00 0.00 O ATOM 0 H GLY A 62 -8.918 3.231 2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.761 2.092 4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.347 2.684 5.161 1.00 0.00 H new ATOM 908 N VAL A 63 -11.203 1.219 2.732 1.00 0.00 N ATOM 909 CA VAL A 63 -11.871 0.083 2.107 1.00 0.00 C ATOM 910 C VAL A 63 -11.504 -0.025 0.630 1.00 0.00 C ATOM 911 O VAL A 63 -11.535 0.964 -0.102 1.00 0.00 O ATOM 912 CB VAL A 63 -13.403 0.188 2.243 1.00 0.00 C ATOM 913 CG1 VAL A 63 -13.921 1.434 1.541 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.078 -1.061 1.697 1.00 0.00 C ATOM 0 H VAL A 63 -11.422 2.121 2.310 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.531 -0.812 2.627 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.647 0.270 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.004 1.489 1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.467 2.319 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -13.664 1.389 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.159 -0.966 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.825 -1.180 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.734 -1.933 2.253 1.00 0.00 H new ATOM 924 N TYR A 64 -11.157 -1.233 0.198 1.00 0.00 N ATOM 925 CA TYR A 64 -10.785 -1.472 -1.192 1.00 0.00 C ATOM 926 C TYR A 64 -11.732 -2.473 -1.845 1.00 0.00 C ATOM 927 O TYR A 64 -11.768 -3.644 -1.471 1.00 0.00 O ATOM 928 CB TYR A 64 -9.346 -1.985 -1.276 1.00 0.00 C ATOM 929 CG TYR A 64 -8.816 -2.075 -2.689 1.00 0.00 C ATOM 930 CD1 TYR A 64 -9.090 -3.179 -3.486 1.00 0.00 C ATOM 931 CD2 TYR A 64 -8.043 -1.053 -3.227 1.00 0.00 C ATOM 932 CE1 TYR A 64 -8.607 -3.264 -4.778 1.00 0.00 C ATOM 933 CE2 TYR A 64 -7.557 -1.131 -4.518 1.00 0.00 C ATOM 934 CZ TYR A 64 -7.842 -2.237 -5.290 1.00 0.00 C ATOM 935 OH TYR A 64 -7.359 -2.318 -6.576 1.00 0.00 O ATOM 0 H TYR A 64 -11.126 -2.062 0.791 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.859 -0.526 -1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.700 -1.326 -0.696 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.293 -2.971 -0.814 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.690 -3.984 -3.089 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.819 -0.184 -2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.828 -4.130 -5.384 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.956 -0.329 -4.921 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.840 -1.512 -6.782 1.00 0.00 H new ATOM 945 N GLN A 65 -12.499 -2.001 -2.822 1.00 0.00 N ATOM 946 CA GLN A 65 -13.449 -2.854 -3.529 1.00 0.00 C ATOM 947 C GLN A 65 -14.499 -3.415 -2.574 1.00 0.00 C ATOM 948 O GLN A 65 -15.089 -4.464 -2.834 1.00 0.00 O ATOM 949 CB GLN A 65 -12.714 -4.000 -4.228 1.00 0.00 C ATOM 950 CG GLN A 65 -12.391 -3.717 -5.686 1.00 0.00 C ATOM 951 CD GLN A 65 -12.119 -4.979 -6.479 1.00 0.00 C ATOM 952 OE1 GLN A 65 -12.875 -5.334 -7.383 1.00 0.00 O ATOM 953 NE2 GLN A 65 -11.033 -5.667 -6.144 1.00 0.00 N ATOM 0 H GLN A 65 -12.482 -1.033 -3.143 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.956 -2.245 -4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.787 -4.206 -3.693 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.324 -4.902 -4.168 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.223 -3.179 -6.141 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.521 -3.063 -5.741 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.433 -5.337 -5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.799 -6.525 -6.643 1.00 0.00 H new ATOM 962 N GLY A 66 -14.731 -2.712 -1.470 1.00 0.00 N ATOM 963 CA GLY A 66 -15.711 -3.160 -0.499 1.00 0.00 C ATOM 964 C GLY A 66 -15.072 -3.759 0.738 1.00 0.00 C ATOM 965 O GLY A 66 -15.648 -3.718 1.825 1.00 0.00 O ATOM 0 H GLY A 66 -14.258 -1.841 -1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.340 -2.319 -0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.364 -3.901 -0.962 1.00 0.00 H new ATOM 969 N LYS A 67 -13.876 -4.316 0.573 1.00 0.00 N ATOM 970 CA LYS A 67 -13.158 -4.925 1.686 1.00 0.00 C ATOM 971 C LYS A 67 -12.480 -3.862 2.543 1.00 0.00 C ATOM 972 O LYS A 67 -11.606 -3.135 2.074 1.00 0.00 O ATOM 973 CB LYS A 67 -12.119 -5.919 1.167 1.00 0.00 C ATOM 974 CG LYS A 67 -12.111 -7.240 1.921 1.00 0.00 C ATOM 975 CD LYS A 67 -12.895 -8.312 1.179 1.00 0.00 C ATOM 976 CE LYS A 67 -14.274 -8.513 1.785 1.00 0.00 C ATOM 977 NZ LYS A 67 -15.317 -7.730 1.066 1.00 0.00 N ATOM 0 H LYS A 67 -13.385 -4.358 -0.320 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.881 -5.457 2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.310 -6.114 0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.130 -5.466 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.083 -7.573 2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.539 -7.096 2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.995 -8.031 0.130 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.344 -9.252 1.206 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.532 -9.572 1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.256 -8.217 2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.180 -7.687 1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.968 -6.766 0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.532 -8.190 0.158 1.00 0.00 H new ATOM 991 N GLN A 68 -12.893 -3.781 3.801 1.00 0.00 N ATOM 992 CA GLN A 68 -12.331 -2.809 4.732 1.00 0.00 C ATOM 993 C GLN A 68 -11.058 -3.347 5.377 1.00 0.00 C ATOM 994 O GLN A 68 -11.111 -4.218 6.245 1.00 0.00 O ATOM 995 CB GLN A 68 -13.355 -2.454 5.812 1.00 0.00 C ATOM 996 CG GLN A 68 -12.939 -1.277 6.678 1.00 0.00 C ATOM 997 CD GLN A 68 -13.579 0.026 6.238 1.00 0.00 C ATOM 998 OE1 GLN A 68 -14.729 0.050 5.802 1.00 0.00 O ATOM 999 NE2 GLN A 68 -12.833 1.118 6.350 1.00 0.00 N ATOM 0 H GLN A 68 -13.617 -4.378 4.202 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.080 -1.909 4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.309 -2.226 5.336 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.516 -3.324 6.448 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.211 -1.479 7.714 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.854 -1.173 6.647 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.884 1.052 6.717 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.209 2.024 6.069 1.00 0.00 H new ATOM 1008 N LEU A 69 -9.915 -2.822 4.948 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.628 -3.249 5.485 1.00 0.00 C ATOM 1010 C LEU A 69 -8.222 -2.385 6.675 1.00 0.00 C ATOM 1011 O LEU A 69 -7.597 -2.869 7.619 1.00 0.00 O ATOM 1012 CB LEU A 69 -7.552 -3.183 4.400 1.00 0.00 C ATOM 1013 CG LEU A 69 -7.711 -4.199 3.268 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -6.659 -3.970 2.195 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -7.622 -5.618 3.812 1.00 0.00 C ATOM 0 H LEU A 69 -9.854 -2.100 4.230 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.728 -4.280 5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.551 -2.181 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.578 -3.331 4.866 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.694 -4.064 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.787 -4.702 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.769 -2.965 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.666 -4.078 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.737 -6.329 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.652 -5.765 4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.413 -5.777 4.545 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.579 -1.107 6.621 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.251 -0.176 7.695 1.00 0.00 C ATOM 1029 C PHE A 70 -9.250 0.976 7.739 1.00 0.00 C ATOM 1030 O PHE A 70 -10.084 1.123 6.846 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.834 0.370 7.511 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.658 1.171 6.253 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -6.717 0.558 5.011 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.432 2.537 6.311 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.555 1.292 3.852 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -6.269 3.277 5.155 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.331 2.654 3.924 1.00 0.00 C ATOM 0 H PHE A 70 -9.095 -0.692 5.846 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.304 -0.717 8.640 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.580 0.994 8.368 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.131 -0.463 7.503 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.892 -0.506 4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.383 3.029 7.271 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.603 0.802 2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.093 4.341 5.214 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.205 3.230 3.019 1.00 0.00 H new ATOM 1047 N GLN A 71 -9.161 1.790 8.787 1.00 0.00 N ATOM 1048 CA GLN A 71 -10.058 2.929 8.949 1.00 0.00 C ATOM 1049 C GLN A 71 -9.356 4.232 8.580 1.00 0.00 C ATOM 1050 O GLN A 71 -8.334 4.586 9.168 1.00 0.00 O ATOM 1051 CB GLN A 71 -10.569 3.001 10.389 1.00 0.00 C ATOM 1052 CG GLN A 71 -11.894 2.287 10.601 1.00 0.00 C ATOM 1053 CD GLN A 71 -13.076 3.093 10.100 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -13.429 3.034 8.922 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -13.696 3.854 10.995 1.00 0.00 N ATOM 0 H GLN A 71 -8.477 1.682 9.536 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.905 2.791 8.277 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.822 2.567 11.053 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.680 4.047 10.674 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.871 1.326 10.088 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.025 2.079 11.663 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.370 3.873 11.961 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -14.498 4.419 10.716 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.911 4.940 7.602 1.00 0.00 N ATOM 1065 CA CYS A 72 -9.338 6.205 7.155 1.00 0.00 C ATOM 1066 C CYS A 72 -10.429 7.251 6.948 1.00 0.00 C ATOM 1067 O CYS A 72 -11.619 6.947 7.028 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.555 6.001 5.857 1.00 0.00 C ATOM 1069 SG CYS A 72 -6.940 6.815 5.835 1.00 0.00 S ATOM 0 H CYS A 72 -10.756 4.660 7.104 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.658 6.564 7.928 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.414 4.933 5.694 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.150 6.375 5.024 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.287 6.513 6.918 1.00 0.00 H new ATOM 1075 N ASP A 73 -10.013 8.485 6.683 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.954 9.578 6.464 1.00 0.00 C ATOM 1077 C ASP A 73 -11.418 9.614 5.011 1.00 0.00 C ATOM 1078 O ASP A 73 -10.921 8.864 4.171 1.00 0.00 O ATOM 1079 CB ASP A 73 -10.313 10.915 6.841 1.00 0.00 C ATOM 1080 CG ASP A 73 -10.660 11.343 8.254 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -11.732 11.956 8.442 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -9.861 11.065 9.172 1.00 0.00 O ATOM 0 H ASP A 73 -9.031 8.753 6.615 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.823 9.408 7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.230 10.836 6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.641 11.683 6.140 1.00 0.00 H new ATOM 1087 N GLU A 74 -12.376 10.490 4.723 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.907 10.624 3.371 1.00 0.00 C ATOM 1089 C GLU A 74 -11.841 11.147 2.415 1.00 0.00 C ATOM 1090 O GLU A 74 -11.325 12.251 2.588 1.00 0.00 O ATOM 1091 CB GLU A 74 -14.116 11.561 3.367 1.00 0.00 C ATOM 1092 CG GLU A 74 -14.878 11.565 2.051 1.00 0.00 C ATOM 1093 CD GLU A 74 -16.255 12.187 2.178 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -16.851 12.092 3.271 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -16.737 12.769 1.184 1.00 0.00 O ATOM 0 H GLU A 74 -12.800 11.117 5.407 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.219 9.636 3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.794 11.269 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.780 12.575 3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.303 12.113 1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.977 10.541 1.690 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.515 10.348 1.405 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.511 10.729 0.419 1.00 0.00 C ATOM 1104 C ASP A 75 -9.162 10.982 1.087 1.00 0.00 C ATOM 1105 O ASP A 75 -8.545 12.030 0.889 1.00 0.00 O ATOM 1106 CB ASP A 75 -10.962 11.977 -0.342 1.00 0.00 C ATOM 1107 CG ASP A 75 -11.904 11.648 -1.485 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -12.991 11.092 -1.217 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -11.555 11.946 -2.646 1.00 0.00 O ATOM 0 H ASP A 75 -11.932 9.431 1.248 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.397 9.905 -0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.457 12.661 0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.087 12.496 -0.734 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.709 10.015 1.877 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.433 10.133 2.574 1.00 0.00 C ATOM 1116 C CYS A 76 -6.576 8.891 2.355 1.00 0.00 C ATOM 1117 O CYS A 76 -5.502 8.963 1.757 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.664 10.350 4.071 1.00 0.00 C ATOM 1119 SG CYS A 76 -8.409 11.947 4.479 1.00 0.00 S ATOM 0 H CYS A 76 -9.206 9.141 2.051 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.903 10.994 2.166 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.307 9.554 4.448 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.710 10.262 4.591 1.00 0.00 H new ATOM 0 HG CYS A 76 -9.502 12.104 3.793 1.00 0.00 H new ATOM 1125 N GLY A 77 -7.057 7.752 2.843 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.321 6.510 2.690 1.00 0.00 C ATOM 1127 C GLY A 77 -6.068 6.161 1.236 1.00 0.00 C ATOM 1128 O GLY A 77 -6.959 6.293 0.395 1.00 0.00 O ATOM 0 H GLY A 77 -7.943 7.667 3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.368 6.589 3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.877 5.701 3.163 1.00 0.00 H new ATOM 1132 N VAL A 78 -4.853 5.713 0.939 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.487 5.345 -0.423 1.00 0.00 C ATOM 1134 C VAL A 78 -3.468 4.211 -0.433 1.00 0.00 C ATOM 1135 O VAL A 78 -2.448 4.274 0.254 1.00 0.00 O ATOM 1136 CB VAL A 78 -3.907 6.546 -1.193 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -5.011 7.515 -1.583 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -2.839 7.246 -0.367 1.00 0.00 C ATOM 0 H VAL A 78 -4.105 5.596 1.623 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.401 5.013 -0.916 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.441 6.177 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.581 8.357 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.735 7.005 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.510 7.879 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.441 8.092 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.276 7.603 0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.033 6.546 -0.146 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.749 3.176 -1.217 1.00 0.00 N ATOM 1149 CA PHE A 79 -2.857 2.028 -1.317 1.00 0.00 C ATOM 1150 C PHE A 79 -1.884 2.198 -2.480 1.00 0.00 C ATOM 1151 O PHE A 79 -2.289 2.500 -3.603 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.666 0.741 -1.498 1.00 0.00 C ATOM 1153 CG PHE A 79 -3.964 0.033 -0.205 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -2.935 -0.382 0.626 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.272 -0.218 0.176 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.207 -1.034 1.813 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.549 -0.869 1.362 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.515 -1.278 2.182 1.00 0.00 C ATOM 0 H PHE A 79 -4.588 3.109 -1.793 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.284 1.961 -0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.605 0.979 -1.998 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.118 0.066 -2.155 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.910 -0.194 0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.084 0.099 -0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.397 -1.353 2.452 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.573 -1.058 1.648 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.729 -1.788 3.110 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.598 2.003 -2.204 1.00 0.00 N ATOM 1169 CA VAL A 80 0.432 2.135 -3.227 1.00 0.00 C ATOM 1170 C VAL A 80 1.617 1.222 -2.938 1.00 0.00 C ATOM 1171 O VAL A 80 1.764 0.712 -1.827 1.00 0.00 O ATOM 1172 CB VAL A 80 0.933 3.588 -3.336 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.088 4.453 -4.059 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.242 4.152 -1.957 1.00 0.00 C ATOM 0 H VAL A 80 -0.245 1.753 -1.280 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.025 1.843 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 80 1.854 3.592 -3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.284 5.475 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.252 4.060 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.028 4.444 -3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.594 5.179 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.339 4.135 -1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.014 3.547 -1.481 1.00 0.00 H new ATOM 1184 N ALA A 81 2.461 1.017 -3.944 1.00 0.00 N ATOM 1185 CA ALA A 81 3.634 0.163 -3.797 1.00 0.00 C ATOM 1186 C ALA A 81 4.799 0.929 -3.182 1.00 0.00 C ATOM 1187 O ALA A 81 4.810 2.160 -3.169 1.00 0.00 O ATOM 1188 CB ALA A 81 4.033 -0.418 -5.145 1.00 0.00 C ATOM 0 H ALA A 81 2.354 1.431 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 81 3.377 -0.654 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.910 -1.054 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.209 -1.009 -5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.266 0.392 -5.836 1.00 0.00 H new ATOM 1194 N LEU A 82 5.782 0.191 -2.674 1.00 0.00 N ATOM 1195 CA LEU A 82 6.957 0.798 -2.056 1.00 0.00 C ATOM 1196 C LEU A 82 7.592 1.822 -2.990 1.00 0.00 C ATOM 1197 O LEU A 82 7.894 2.945 -2.586 1.00 0.00 O ATOM 1198 CB LEU A 82 7.979 -0.280 -1.689 1.00 0.00 C ATOM 1199 CG LEU A 82 9.243 0.235 -0.997 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.990 0.442 0.489 1.00 0.00 C ATOM 1201 CD2 LEU A 82 10.399 -0.732 -1.212 1.00 0.00 C ATOM 0 H LEU A 82 5.788 -0.829 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 82 6.638 1.310 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.497 -1.009 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.270 -0.808 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 82 9.511 1.195 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.899 0.808 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.191 1.171 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.698 -0.505 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.290 -0.351 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.140 -1.706 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.596 -0.832 -2.279 1.00 0.00 H new ATOM 1213 N ASP A 83 7.785 1.426 -4.245 1.00 0.00 N ATOM 1214 CA ASP A 83 8.378 2.310 -5.241 1.00 0.00 C ATOM 1215 C ASP A 83 7.560 3.589 -5.378 1.00 0.00 C ATOM 1216 O ASP A 83 8.093 4.649 -5.707 1.00 0.00 O ATOM 1217 CB ASP A 83 8.469 1.602 -6.594 1.00 0.00 C ATOM 1218 CG ASP A 83 9.413 2.303 -7.552 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.629 2.338 -7.268 1.00 0.00 O ATOM 1220 OD2 ASP A 83 8.936 2.818 -8.584 1.00 0.00 O ATOM 0 H ASP A 83 7.539 0.500 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 83 9.383 2.572 -4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.806 0.576 -6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.476 1.549 -7.041 1.00 0.00 H new ATOM 1225 N LYS A 84 6.260 3.484 -5.116 1.00 0.00 N ATOM 1226 CA LYS A 84 5.369 4.633 -5.205 1.00 0.00 C ATOM 1227 C LYS A 84 5.486 5.508 -3.959 1.00 0.00 C ATOM 1228 O LYS A 84 5.211 6.707 -4.004 1.00 0.00 O ATOM 1229 CB LYS A 84 3.921 4.173 -5.384 1.00 0.00 C ATOM 1230 CG LYS A 84 3.594 3.729 -6.802 1.00 0.00 C ATOM 1231 CD LYS A 84 2.228 4.233 -7.246 1.00 0.00 C ATOM 1232 CE LYS A 84 1.348 3.098 -7.743 1.00 0.00 C ATOM 1233 NZ LYS A 84 0.501 2.535 -6.656 1.00 0.00 N ATOM 0 H LYS A 84 5.802 2.615 -4.841 1.00 0.00 H new ATOM 0 HA LYS A 84 5.664 5.223 -6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.723 3.348 -4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.253 4.987 -5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.359 4.099 -7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.617 2.641 -6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.737 4.737 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.352 4.972 -8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.710 3.460 -8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.974 2.309 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.307 1.532 -6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.000 2.621 -5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.397 3.058 -6.609 1.00 0.00 H new ATOM 1247 N LEU A 85 5.897 4.901 -2.849 1.00 0.00 N ATOM 1248 CA LEU A 85 6.050 5.628 -1.594 1.00 0.00 C ATOM 1249 C LEU A 85 7.441 6.248 -1.491 1.00 0.00 C ATOM 1250 O LEU A 85 8.450 5.564 -1.662 1.00 0.00 O ATOM 1251 CB LEU A 85 5.805 4.697 -0.407 1.00 0.00 C ATOM 1252 CG LEU A 85 4.358 4.228 -0.240 1.00 0.00 C ATOM 1253 CD1 LEU A 85 4.213 3.383 1.017 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.414 5.421 -0.194 1.00 0.00 C ATOM 0 H LEU A 85 6.129 3.909 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 85 5.312 6.430 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.445 3.821 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.113 5.208 0.505 1.00 0.00 H new ATOM 0 HG LEU A 85 4.093 3.612 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.178 3.058 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.862 2.510 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.496 3.975 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.389 5.070 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.678 6.062 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.498 5.987 -1.122 1.00 0.00 H new ATOM 1266 N GLU A 86 7.485 7.545 -1.208 1.00 0.00 N ATOM 1267 CA GLU A 86 8.752 8.257 -1.081 1.00 0.00 C ATOM 1268 C GLU A 86 8.965 8.734 0.352 1.00 0.00 C ATOM 1269 O GLU A 86 8.263 9.623 0.832 1.00 0.00 O ATOM 1270 CB GLU A 86 8.789 9.450 -2.039 1.00 0.00 C ATOM 1271 CG GLU A 86 10.151 9.678 -2.673 1.00 0.00 C ATOM 1272 CD GLU A 86 10.054 10.181 -4.100 1.00 0.00 C ATOM 1273 OE1 GLU A 86 9.629 11.338 -4.294 1.00 0.00 O ATOM 1274 OE2 GLU A 86 10.400 9.415 -5.024 1.00 0.00 O ATOM 0 H GLU A 86 6.659 8.125 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 86 9.556 7.568 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.052 9.296 -2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.494 10.349 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.710 10.398 -2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.715 8.745 -2.658 1.00 0.00 H new ATOM 1281 N LEU A 87 9.940 8.137 1.030 1.00 0.00 N ATOM 1282 CA LEU A 87 10.247 8.501 2.408 1.00 0.00 C ATOM 1283 C LEU A 87 10.641 9.970 2.509 1.00 0.00 C ATOM 1284 O LEU A 87 11.437 10.467 1.712 1.00 0.00 O ATOM 1285 CB LEU A 87 11.375 7.621 2.951 1.00 0.00 C ATOM 1286 CG LEU A 87 11.539 7.643 4.472 1.00 0.00 C ATOM 1287 CD1 LEU A 87 10.240 7.246 5.155 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.672 6.720 4.898 1.00 0.00 C ATOM 0 H LEU A 87 10.531 7.399 0.647 1.00 0.00 H new ATOM 0 HA LEU A 87 9.350 8.342 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.197 6.593 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.313 7.937 2.495 1.00 0.00 H new ATOM 0 HG LEU A 87 11.789 8.659 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.376 7.267 6.236 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.453 7.946 4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.958 6.240 4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.775 6.747 5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.450 5.701 4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.603 7.050 4.436 1.00 0.00 H new ATOM 1300 N ILE A 88 10.078 10.662 3.494 1.00 0.00 N ATOM 1301 CA ILE A 88 10.369 12.076 3.700 1.00 0.00 C ATOM 1302 C ILE A 88 11.502 12.263 4.704 1.00 0.00 C ATOM 1303 O ILE A 88 11.470 11.706 5.801 1.00 0.00 O ATOM 1304 CB ILE A 88 9.127 12.840 4.196 1.00 0.00 C ATOM 1305 CG1 ILE A 88 7.915 12.511 3.324 1.00 0.00 C ATOM 1306 CG2 ILE A 88 9.393 14.338 4.201 1.00 0.00 C ATOM 1307 CD1 ILE A 88 6.642 13.190 3.777 1.00 0.00 C ATOM 0 H ILE A 88 9.417 10.266 4.163 1.00 0.00 H new ATOM 0 HA ILE A 88 10.672 12.480 2.734 1.00 0.00 H new ATOM 0 HB ILE A 88 8.911 12.526 5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.127 12.804 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.761 11.432 3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.506 14.864 4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.231 14.556 4.862 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.633 14.668 3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.824 12.911 3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.405 12.878 4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.777 14.271 3.751 1.00 0.00 H new ATOM 1319 N GLU A 89 12.501 13.051 4.320 1.00 0.00 N ATOM 1320 CA GLU A 89 13.644 13.312 5.187 1.00 0.00 C ATOM 1321 C GLU A 89 13.335 14.434 6.172 1.00 0.00 C ATOM 1322 O GLU A 89 12.511 15.307 5.897 1.00 0.00 O ATOM 1323 CB GLU A 89 14.872 13.675 4.351 1.00 0.00 C ATOM 1324 CG GLU A 89 16.190 13.393 5.052 1.00 0.00 C ATOM 1325 CD GLU A 89 17.392 13.798 4.220 1.00 0.00 C ATOM 1326 OE1 GLU A 89 17.561 15.012 3.975 1.00 0.00 O ATOM 1327 OE2 GLU A 89 18.164 12.904 3.816 1.00 0.00 O ATOM 0 H GLU A 89 12.542 13.519 3.415 1.00 0.00 H new ATOM 0 HA GLU A 89 13.854 12.404 5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.841 13.118 3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.826 14.733 4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.214 13.927 6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.254 12.330 5.283 1.00 0.00 H new ATOM 1334 N SER A 90 14.001 14.405 7.322 1.00 0.00 N ATOM 1335 CA SER A 90 13.798 15.421 8.349 1.00 0.00 C ATOM 1336 C SER A 90 14.968 15.445 9.329 1.00 0.00 C ATOM 1337 O SER A 90 14.775 15.426 10.545 1.00 0.00 O ATOM 1338 CB SER A 90 12.490 15.160 9.101 1.00 0.00 C ATOM 1339 OG SER A 90 11.997 16.348 9.695 1.00 0.00 O ATOM 0 H SER A 90 14.686 13.689 7.566 1.00 0.00 H new ATOM 0 HA SER A 90 13.739 16.393 7.859 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.746 14.758 8.414 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.654 14.406 9.871 1.00 0.00 H new ATOM 0 HG SER A 90 11.161 16.155 10.168 1.00 0.00 H new ATOM 1345 N GLY A 91 16.181 15.488 8.790 1.00 0.00 N ATOM 1346 CA GLY A 91 17.365 15.514 9.629 1.00 0.00 C ATOM 1347 C GLY A 91 18.507 16.290 8.998 1.00 0.00 C ATOM 1348 O GLY A 91 19.298 15.726 8.243 1.00 0.00 O ATOM 0 H GLY A 91 16.366 15.505 7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.115 15.960 10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 91 17.689 14.492 9.826 1.00 0.00 H new ATOM 1352 N PRO A 92 18.623 17.597 9.294 1.00 0.00 N ATOM 1353 CA PRO A 92 19.688 18.440 8.741 1.00 0.00 C ATOM 1354 C PRO A 92 21.060 18.073 9.295 1.00 0.00 C ATOM 1355 O PRO A 92 21.181 17.609 10.428 1.00 0.00 O ATOM 1356 CB PRO A 92 19.292 19.851 9.184 1.00 0.00 C ATOM 1357 CG PRO A 92 18.457 19.648 10.400 1.00 0.00 C ATOM 1358 CD PRO A 92 17.724 18.353 10.187 1.00 0.00 C ATOM 0 HA PRO A 92 19.777 18.329 7.660 1.00 0.00 H new ATOM 0 HB2 PRO A 92 20.170 20.458 9.404 1.00 0.00 H new ATOM 0 HB3 PRO A 92 18.735 20.369 8.403 1.00 0.00 H new ATOM 0 HG2 PRO A 92 19.076 19.603 11.296 1.00 0.00 H new ATOM 0 HG3 PRO A 92 17.759 20.474 10.536 1.00 0.00 H new ATOM 0 HD2 PRO A 92 17.555 17.827 11.127 1.00 0.00 H new ATOM 0 HD3 PRO A 92 16.747 18.514 9.732 1.00 0.00 H new ATOM 1366 N SER A 93 22.094 18.284 8.487 1.00 0.00 N ATOM 1367 CA SER A 93 23.460 17.977 8.895 1.00 0.00 C ATOM 1368 C SER A 93 24.331 19.229 8.869 1.00 0.00 C ATOM 1369 O SER A 93 24.617 19.777 7.805 1.00 0.00 O ATOM 1370 CB SER A 93 24.059 16.906 7.980 1.00 0.00 C ATOM 1371 OG SER A 93 25.294 16.434 8.489 1.00 0.00 O ATOM 0 H SER A 93 22.012 18.667 7.545 1.00 0.00 H new ATOM 0 HA SER A 93 23.431 17.598 9.917 1.00 0.00 H new ATOM 0 HB2 SER A 93 23.361 16.075 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 93 24.207 17.317 6.981 1.00 0.00 H new ATOM 0 HG SER A 93 25.655 15.750 7.888 1.00 0.00 H new ATOM 1377 N SER A 94 24.751 19.676 10.048 1.00 0.00 N ATOM 1378 CA SER A 94 25.590 20.863 10.161 1.00 0.00 C ATOM 1379 C SER A 94 27.052 20.523 9.895 1.00 0.00 C ATOM 1380 O SER A 94 27.808 21.347 9.379 1.00 0.00 O ATOM 1381 CB SER A 94 25.445 21.486 11.551 1.00 0.00 C ATOM 1382 OG SER A 94 24.099 21.850 11.809 1.00 0.00 O ATOM 0 H SER A 94 24.524 19.234 10.939 1.00 0.00 H new ATOM 0 HA SER A 94 25.260 21.582 9.411 1.00 0.00 H new ATOM 0 HB2 SER A 94 25.785 20.779 12.307 1.00 0.00 H new ATOM 0 HB3 SER A 94 26.084 22.366 11.627 1.00 0.00 H new ATOM 0 HG SER A 94 24.032 22.244 12.704 1.00 0.00 H new ATOM 1388 N GLY A 95 27.445 19.304 10.248 1.00 0.00 N ATOM 1389 CA GLY A 95 28.816 18.875 10.039 1.00 0.00 C ATOM 1390 C GLY A 95 29.790 19.575 10.967 1.00 0.00 C ATOM 1391 O GLY A 95 30.963 19.751 10.573 1.00 0.00 O ATOM 1392 OXT GLY A 95 29.381 19.948 12.086 1.00 0.00 O ATOM 0 H GLY A 95 26.838 18.604 10.676 1.00 0.00 H new ATOM 0 HA2 GLY A 95 28.884 17.798 10.191 1.00 0.00 H new ATOM 0 HA3 GLY A 95 29.101 19.069 9.005 1.00 0.00 H new TER 1396 GLY A 95