USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1110 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 81 ASN : amide:sc= -0.227 X(o=-0.25,f=-0.35) USER MOD Set 1.2: A 98 ASN :FLIP amide:sc= -0.0266 X(o=-0.35,f=-0.25) USER MOD Set 2.1: A 46 LYS NZ :NH3+ -123:sc= 0.0268 (180deg=-0.158) USER MOD Set 2.2: A 49 TYR OH : rot 180:sc= 0.0319 USER MOD Single : A 2 LYS NZ :NH3+ 143:sc= 0.868 (180deg=-1.48!) USER MOD Single : A 4 GLN : amide:sc= 0.442 K(o=0.44,f=-1.8) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=-0.0055) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -110:sc= 0.0163 USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0118) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.18) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -147:sc= 0.00739 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 155:sc= 0.86 (180deg=0.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 59 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.53) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00186) USER MOD Single : A 69 HIS : no HE2:sc= 0.0551 K(o=0.055,f=-0.5) USER MOD Single : A 82 ASN : amide:sc= -0.0339 X(o=-0.034,f=-0.51) USER MOD Single : A 83 THR OG1 : rot 70:sc= 1.03 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 149:sc= -0.435 (180deg=-2.28!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= 0.224 K(o=0.22,f=-1.2) USER MOD Single : A 103 TYR OH : rot 180:sc= 0.224 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.102 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= -0.139 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 724 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 726 SER OG : rot 180:sc= 0 USER MOD Single : B 728 SER OG : rot 180:sc= 0 USER MOD Single : B 729 SER OG : rot 180:sc= 0.0583 USER MOD Single : B 732 TYR OH : rot -21:sc= 0.765 USER MOD Single : B 739 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 9.073 17.494 -17.130 1.00 0.00 N ATOM 2 CA GLY A -3 8.687 17.799 -15.747 1.00 0.00 C ATOM 3 C GLY A -3 7.382 17.106 -15.411 1.00 0.00 C ATOM 4 O GLY A -3 7.371 15.887 -15.269 1.00 0.00 O ATOM 0 H1 GLY A -3 9.969 17.972 -17.354 1.00 0.00 H new ATOM 0 H2 GLY A -3 9.193 16.467 -17.239 1.00 0.00 H new ATOM 0 H3 GLY A -3 8.331 17.827 -17.779 1.00 0.00 H new ATOM 0 HA2 GLY A -3 9.469 17.473 -15.062 1.00 0.00 H new ATOM 0 HA3 GLY A -3 8.580 18.876 -15.619 1.00 0.00 H new ATOM 8 N SER A -2 6.289 17.868 -15.328 1.00 0.00 N ATOM 9 CA SER A -2 4.935 17.405 -15.022 1.00 0.00 C ATOM 10 C SER A -2 4.875 16.408 -13.847 1.00 0.00 C ATOM 11 O SER A -2 4.437 15.269 -14.018 1.00 0.00 O ATOM 12 CB SER A -2 4.288 16.886 -16.313 1.00 0.00 C ATOM 13 OG SER A -2 4.320 17.920 -17.289 1.00 0.00 O ATOM 0 H SER A -2 6.327 18.876 -15.480 1.00 0.00 H new ATOM 0 HA SER A -2 4.348 18.248 -14.658 1.00 0.00 H new ATOM 0 HB2 SER A -2 4.822 16.008 -16.676 1.00 0.00 H new ATOM 0 HB3 SER A -2 3.260 16.578 -16.123 1.00 0.00 H new ATOM 0 HG SER A -2 3.910 17.599 -18.119 1.00 0.00 H new ATOM 19 N PRO A -1 5.335 16.803 -12.646 1.00 0.00 N ATOM 20 CA PRO A -1 5.301 15.936 -11.481 1.00 0.00 C ATOM 21 C PRO A -1 3.908 15.949 -10.841 1.00 0.00 C ATOM 22 O PRO A -1 3.132 16.893 -11.025 1.00 0.00 O ATOM 23 CB PRO A -1 6.322 16.560 -10.531 1.00 0.00 C ATOM 24 CG PRO A -1 6.152 18.057 -10.786 1.00 0.00 C ATOM 25 CD PRO A -1 5.886 18.107 -12.289 1.00 0.00 C ATOM 0 HA PRO A -1 5.523 14.897 -11.724 1.00 0.00 H new ATOM 0 HB2 PRO A -1 6.118 16.301 -9.492 1.00 0.00 H new ATOM 0 HB3 PRO A -1 7.336 16.225 -10.750 1.00 0.00 H new ATOM 0 HG2 PRO A -1 5.324 18.475 -10.213 1.00 0.00 H new ATOM 0 HG3 PRO A -1 7.045 18.619 -10.513 1.00 0.00 H new ATOM 0 HD2 PRO A -1 5.187 18.906 -12.535 1.00 0.00 H new ATOM 0 HD3 PRO A -1 6.805 18.306 -12.841 1.00 0.00 H new ATOM 33 N GLU A 0 3.596 14.926 -10.050 1.00 0.00 N ATOM 34 CA GLU A 0 2.331 14.812 -9.335 1.00 0.00 C ATOM 35 C GLU A 0 2.587 15.121 -7.859 1.00 0.00 C ATOM 36 O GLU A 0 3.714 14.999 -7.376 1.00 0.00 O ATOM 37 CB GLU A 0 1.762 13.396 -9.448 1.00 0.00 C ATOM 38 CG GLU A 0 1.024 13.125 -10.754 1.00 0.00 C ATOM 39 CD GLU A 0 1.909 12.808 -11.961 1.00 0.00 C ATOM 40 OE1 GLU A 0 3.014 12.239 -11.818 1.00 0.00 O ATOM 41 OE2 GLU A 0 1.410 13.031 -13.086 1.00 0.00 O ATOM 0 H GLU A 0 4.226 14.141 -9.886 1.00 0.00 H new ATOM 0 HA GLU A 0 1.614 15.509 -9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 0 2.577 12.679 -9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 0 1.081 13.222 -8.615 1.00 0.00 H new ATOM 0 HG2 GLU A 0 0.341 12.290 -10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 0 0.413 13.996 -10.993 1.00 0.00 H new ATOM 48 N PHE A 1 1.520 15.480 -7.145 1.00 0.00 N ATOM 49 CA PHE A 1 1.521 15.810 -5.723 1.00 0.00 C ATOM 50 C PHE A 1 0.394 15.019 -5.045 1.00 0.00 C ATOM 51 O PHE A 1 -0.261 15.513 -4.123 1.00 0.00 O ATOM 52 CB PHE A 1 1.355 17.334 -5.544 1.00 0.00 C ATOM 53 CG PHE A 1 2.367 18.220 -6.262 1.00 0.00 C ATOM 54 CD1 PHE A 1 3.740 17.902 -6.271 1.00 0.00 C ATOM 55 CD2 PHE A 1 1.932 19.394 -6.909 1.00 0.00 C ATOM 56 CE1 PHE A 1 4.660 18.718 -6.950 1.00 0.00 C ATOM 57 CE2 PHE A 1 2.851 20.219 -7.583 1.00 0.00 C ATOM 58 CZ PHE A 1 4.214 19.876 -7.610 1.00 0.00 C ATOM 0 H PHE A 1 0.592 15.551 -7.562 1.00 0.00 H new ATOM 0 HA PHE A 1 2.466 15.534 -5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 1 0.357 17.610 -5.885 1.00 0.00 H new ATOM 0 HB3 PHE A 1 1.401 17.559 -4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 1 4.088 17.022 -5.751 1.00 0.00 H new ATOM 0 HD2 PHE A 1 0.886 19.662 -6.887 1.00 0.00 H new ATOM 0 HE1 PHE A 1 5.708 18.456 -6.965 1.00 0.00 H new ATOM 0 HE2 PHE A 1 2.509 21.115 -8.079 1.00 0.00 H new ATOM 0 HZ PHE A 1 4.918 20.502 -8.138 1.00 0.00 H new ATOM 68 N LYS A 2 0.105 13.810 -5.540 1.00 0.00 N ATOM 69 CA LYS A 2 -0.959 12.941 -5.051 1.00 0.00 C ATOM 70 C LYS A 2 -0.690 12.280 -3.702 1.00 0.00 C ATOM 71 O LYS A 2 -0.686 11.049 -3.604 1.00 0.00 O ATOM 72 CB LYS A 2 -1.366 11.915 -6.132 1.00 0.00 C ATOM 73 CG LYS A 2 -2.340 12.462 -7.185 1.00 0.00 C ATOM 74 CD LYS A 2 -3.676 13.019 -6.647 1.00 0.00 C ATOM 75 CE LYS A 2 -4.489 12.099 -5.711 1.00 0.00 C ATOM 76 NZ LYS A 2 -4.027 12.084 -4.300 1.00 0.00 N ATOM 0 H LYS A 2 0.625 13.401 -6.317 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.804 13.600 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.467 11.559 -6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.822 11.053 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.837 13.253 -7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.561 11.665 -7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.467 13.946 -6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.304 13.276 -7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.533 12.412 -5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.452 11.082 -6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.849 12.018 -3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.405 11.265 -4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.503 12.959 -4.097 1.00 0.00 H new ATOM 90 N PHE A 3 -0.488 13.071 -2.654 1.00 0.00 N ATOM 91 CA PHE A 3 -0.291 12.499 -1.331 1.00 0.00 C ATOM 92 C PHE A 3 -1.625 11.903 -0.895 1.00 0.00 C ATOM 93 O PHE A 3 -2.697 12.329 -1.340 1.00 0.00 O ATOM 94 CB PHE A 3 0.280 13.494 -0.311 1.00 0.00 C ATOM 95 CG PHE A 3 1.786 13.576 -0.422 1.00 0.00 C ATOM 96 CD1 PHE A 3 2.546 12.400 -0.293 1.00 0.00 C ATOM 97 CD2 PHE A 3 2.435 14.792 -0.701 1.00 0.00 C ATOM 98 CE1 PHE A 3 3.920 12.412 -0.558 1.00 0.00 C ATOM 99 CE2 PHE A 3 3.826 14.816 -0.896 1.00 0.00 C ATOM 100 CZ PHE A 3 4.555 13.616 -0.888 1.00 0.00 C ATOM 0 H PHE A 3 -0.457 14.090 -2.693 1.00 0.00 H new ATOM 0 HA PHE A 3 0.472 11.722 -1.380 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -0.155 14.480 -0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 3 0.002 13.187 0.697 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.066 11.482 0.012 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.864 15.707 -0.765 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.489 11.495 -0.508 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.334 15.756 -1.052 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.606 13.621 -1.136 1.00 0.00 H new ATOM 110 N GLN A 4 -1.554 10.940 0.013 1.00 0.00 N ATOM 111 CA GLN A 4 -2.696 10.207 0.527 1.00 0.00 C ATOM 112 C GLN A 4 -3.623 10.981 1.449 1.00 0.00 C ATOM 113 O GLN A 4 -4.776 10.577 1.551 1.00 0.00 O ATOM 114 CB GLN A 4 -2.208 8.868 1.082 1.00 0.00 C ATOM 115 CG GLN A 4 -2.068 7.834 -0.056 1.00 0.00 C ATOM 116 CD GLN A 4 -1.284 8.328 -1.281 1.00 0.00 C ATOM 117 OE1 GLN A 4 -0.061 8.349 -1.303 1.00 0.00 O ATOM 118 NE2 GLN A 4 -1.950 8.800 -2.324 1.00 0.00 N ATOM 0 H GLN A 4 -0.670 10.640 0.424 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.370 10.018 -0.309 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.248 9.002 1.581 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.909 8.501 1.832 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.576 6.945 0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.064 7.531 -0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.970 8.791 -2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -1.443 9.172 -3.127 1.00 0.00 H new ATOM 127 N TYR A 5 -3.193 12.073 2.085 1.00 0.00 N ATOM 128 CA TYR A 5 -4.082 12.833 2.962 1.00 0.00 C ATOM 129 C TYR A 5 -5.389 13.226 2.244 1.00 0.00 C ATOM 130 O TYR A 5 -6.458 13.161 2.844 1.00 0.00 O ATOM 131 CB TYR A 5 -3.332 14.035 3.536 1.00 0.00 C ATOM 132 CG TYR A 5 -2.180 13.655 4.449 1.00 0.00 C ATOM 133 CD1 TYR A 5 -2.449 13.050 5.692 1.00 0.00 C ATOM 134 CD2 TYR A 5 -0.844 13.895 4.070 1.00 0.00 C ATOM 135 CE1 TYR A 5 -1.401 12.674 6.548 1.00 0.00 C ATOM 136 CE2 TYR A 5 0.210 13.520 4.923 1.00 0.00 C ATOM 137 CZ TYR A 5 -0.062 12.904 6.166 1.00 0.00 C ATOM 138 OH TYR A 5 0.966 12.504 6.964 1.00 0.00 O ATOM 0 H TYR A 5 -2.247 12.446 2.010 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.386 12.202 3.797 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.949 14.639 2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.033 14.659 4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.472 12.873 5.990 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.629 14.368 3.123 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.620 12.209 7.498 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.232 13.704 4.627 1.00 0.00 H new ATOM 0 HH TYR A 5 1.818 12.743 6.544 1.00 0.00 H new ATOM 148 N LYS A 6 -5.361 13.551 0.942 1.00 0.00 N ATOM 149 CA LYS A 6 -6.584 13.907 0.211 1.00 0.00 C ATOM 150 C LYS A 6 -7.533 12.700 0.112 1.00 0.00 C ATOM 151 O LYS A 6 -8.742 12.890 -0.028 1.00 0.00 O ATOM 152 CB LYS A 6 -6.223 14.503 -1.162 1.00 0.00 C ATOM 153 CG LYS A 6 -7.412 15.113 -1.929 1.00 0.00 C ATOM 154 CD LYS A 6 -8.172 16.242 -1.205 1.00 0.00 C ATOM 155 CE LYS A 6 -7.284 17.469 -0.972 1.00 0.00 C ATOM 156 NZ LYS A 6 -8.013 18.589 -0.340 1.00 0.00 N ATOM 0 H LYS A 6 -4.511 13.574 0.379 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.125 14.676 0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.465 15.273 -1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.774 13.722 -1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.046 15.500 -2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.118 14.315 -2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.042 16.530 -1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.543 15.875 -0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.441 17.188 -0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.872 17.801 -1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.366 19.392 -0.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.802 18.879 -0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.384 18.285 0.583 1.00 0.00 H new ATOM 170 N GLU A 7 -7.016 11.470 0.129 1.00 0.00 N ATOM 171 CA GLU A 7 -7.804 10.243 0.081 1.00 0.00 C ATOM 172 C GLU A 7 -8.311 9.929 1.498 1.00 0.00 C ATOM 173 O GLU A 7 -9.407 9.399 1.639 1.00 0.00 O ATOM 174 CB GLU A 7 -6.977 9.050 -0.448 1.00 0.00 C ATOM 175 CG GLU A 7 -6.782 9.006 -1.971 1.00 0.00 C ATOM 176 CD GLU A 7 -5.786 10.026 -2.527 1.00 0.00 C ATOM 177 OE1 GLU A 7 -4.572 9.734 -2.621 1.00 0.00 O ATOM 178 OE2 GLU A 7 -6.222 11.110 -2.976 1.00 0.00 O ATOM 0 H GLU A 7 -6.012 11.298 0.178 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.638 10.395 -0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.996 9.072 0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.462 8.126 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.449 8.006 -2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.748 9.166 -2.450 1.00 0.00 H new ATOM 185 N ASP A 8 -7.544 10.280 2.536 1.00 0.00 N ATOM 186 CA ASP A 8 -7.841 10.076 3.960 1.00 0.00 C ATOM 187 C ASP A 8 -8.975 10.972 4.469 1.00 0.00 C ATOM 188 O ASP A 8 -9.716 10.586 5.370 1.00 0.00 O ATOM 189 CB ASP A 8 -6.558 10.324 4.758 1.00 0.00 C ATOM 190 CG ASP A 8 -6.749 10.168 6.265 1.00 0.00 C ATOM 191 OD1 ASP A 8 -6.953 9.029 6.733 1.00 0.00 O ATOM 192 OD2 ASP A 8 -6.554 11.178 6.981 1.00 0.00 O ATOM 0 H ASP A 8 -6.645 10.742 2.397 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.188 9.052 4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.788 9.629 4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.194 11.330 4.546 1.00 0.00 H new ATOM 197 N HIS A 9 -9.147 12.153 3.865 1.00 0.00 N ATOM 198 CA HIS A 9 -10.183 13.112 4.237 1.00 0.00 C ATOM 199 C HIS A 9 -11.615 12.537 4.178 1.00 0.00 C ATOM 200 O HIS A 9 -12.282 12.548 5.218 1.00 0.00 O ATOM 201 CB HIS A 9 -10.063 14.389 3.387 1.00 0.00 C ATOM 202 CG HIS A 9 -9.336 15.513 4.072 1.00 0.00 C ATOM 203 ND1 HIS A 9 -9.898 16.716 4.425 1.00 0.00 N ATOM 204 CD2 HIS A 9 -8.027 15.531 4.462 1.00 0.00 C ATOM 205 CE1 HIS A 9 -8.934 17.462 4.988 1.00 0.00 C ATOM 206 NE2 HIS A 9 -7.767 16.792 5.009 1.00 0.00 N ATOM 0 H HIS A 9 -8.560 12.470 3.093 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.010 13.359 5.284 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -9.546 14.148 2.458 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.063 14.728 3.116 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -7.321 14.719 4.366 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.076 18.462 5.371 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -6.871 17.135 5.355 1.00 0.00 H new ATOM 214 N PRO A 10 -12.118 12.047 3.026 1.00 0.00 N ATOM 215 CA PRO A 10 -13.463 11.498 2.912 1.00 0.00 C ATOM 216 C PRO A 10 -13.563 10.093 3.524 1.00 0.00 C ATOM 217 O PRO A 10 -13.603 9.088 2.807 1.00 0.00 O ATOM 218 CB PRO A 10 -13.777 11.527 1.413 1.00 0.00 C ATOM 219 CG PRO A 10 -12.412 11.241 0.790 1.00 0.00 C ATOM 220 CD PRO A 10 -11.461 11.988 1.726 1.00 0.00 C ATOM 0 HA PRO A 10 -14.194 12.079 3.474 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.516 10.774 1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.173 12.493 1.099 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.196 10.173 0.759 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.347 11.610 -0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.504 11.472 1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.255 12.990 1.350 1.00 0.00 H new ATOM 228 N PHE A 11 -13.686 10.029 4.849 1.00 0.00 N ATOM 229 CA PHE A 11 -13.801 8.788 5.605 1.00 0.00 C ATOM 230 C PHE A 11 -14.906 7.889 5.046 1.00 0.00 C ATOM 231 O PHE A 11 -14.688 6.699 4.837 1.00 0.00 O ATOM 232 CB PHE A 11 -14.086 9.098 7.082 1.00 0.00 C ATOM 233 CG PHE A 11 -14.290 7.841 7.908 1.00 0.00 C ATOM 234 CD1 PHE A 11 -13.180 7.183 8.463 1.00 0.00 C ATOM 235 CD2 PHE A 11 -15.574 7.285 8.066 1.00 0.00 C ATOM 236 CE1 PHE A 11 -13.348 5.963 9.138 1.00 0.00 C ATOM 237 CE2 PHE A 11 -15.740 6.059 8.733 1.00 0.00 C ATOM 238 CZ PHE A 11 -14.622 5.385 9.249 1.00 0.00 C ATOM 0 H PHE A 11 -13.709 10.861 5.439 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.854 8.256 5.516 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.257 9.671 7.497 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.975 9.725 7.154 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.195 7.616 8.370 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.436 7.803 7.673 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.493 5.467 9.574 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.727 5.636 8.848 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.742 4.425 9.730 1.00 0.00 H new ATOM 248 N GLU A 12 -16.093 8.442 4.767 1.00 0.00 N ATOM 249 CA GLU A 12 -17.199 7.638 4.253 1.00 0.00 C ATOM 250 C GLU A 12 -16.859 6.929 2.938 1.00 0.00 C ATOM 251 O GLU A 12 -17.368 5.829 2.683 1.00 0.00 O ATOM 252 CB GLU A 12 -18.480 8.478 4.131 1.00 0.00 C ATOM 253 CG GLU A 12 -18.516 9.496 2.975 1.00 0.00 C ATOM 254 CD GLU A 12 -19.902 10.126 2.772 1.00 0.00 C ATOM 255 OE1 GLU A 12 -20.828 9.937 3.591 1.00 0.00 O ATOM 256 OE2 GLU A 12 -20.032 10.941 1.820 1.00 0.00 O ATOM 0 H GLU A 12 -16.307 9.432 4.888 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.380 6.848 4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.325 7.800 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.627 9.017 5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.790 10.285 3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -18.209 9.002 2.053 1.00 0.00 H new ATOM 263 N TYR A 13 -16.029 7.563 2.104 1.00 0.00 N ATOM 264 CA TYR A 13 -15.626 7.016 0.826 1.00 0.00 C ATOM 265 C TYR A 13 -14.683 5.845 1.059 1.00 0.00 C ATOM 266 O TYR A 13 -14.937 4.756 0.542 1.00 0.00 O ATOM 267 CB TYR A 13 -15.029 8.102 -0.078 1.00 0.00 C ATOM 268 CG TYR A 13 -15.028 7.710 -1.542 1.00 0.00 C ATOM 269 CD1 TYR A 13 -16.256 7.595 -2.219 1.00 0.00 C ATOM 270 CD2 TYR A 13 -13.826 7.433 -2.222 1.00 0.00 C ATOM 271 CE1 TYR A 13 -16.290 7.170 -3.555 1.00 0.00 C ATOM 272 CE2 TYR A 13 -13.853 7.043 -3.574 1.00 0.00 C ATOM 273 CZ TYR A 13 -15.090 6.899 -4.242 1.00 0.00 C ATOM 274 OH TYR A 13 -15.131 6.519 -5.548 1.00 0.00 O ATOM 0 H TYR A 13 -15.621 8.475 2.308 1.00 0.00 H new ATOM 0 HA TYR A 13 -16.498 6.638 0.293 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.596 9.024 0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.007 8.311 0.239 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -17.176 7.835 -1.708 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -12.882 7.520 -1.705 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -17.238 7.050 -4.058 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -12.929 6.854 -4.101 1.00 0.00 H new ATOM 0 HH TYR A 13 -14.869 5.578 -5.623 1.00 0.00 H new ATOM 284 N ARG A 14 -13.632 6.045 1.869 1.00 0.00 N ATOM 285 CA ARG A 14 -12.675 4.978 2.162 1.00 0.00 C ATOM 286 C ARG A 14 -13.385 3.803 2.810 1.00 0.00 C ATOM 287 O ARG A 14 -13.212 2.674 2.357 1.00 0.00 O ATOM 288 CB ARG A 14 -11.615 5.482 3.152 1.00 0.00 C ATOM 289 CG ARG A 14 -10.532 6.326 2.483 1.00 0.00 C ATOM 290 CD ARG A 14 -9.596 7.012 3.484 1.00 0.00 C ATOM 291 NE ARG A 14 -9.219 6.197 4.651 1.00 0.00 N ATOM 292 CZ ARG A 14 -8.016 6.134 5.235 1.00 0.00 C ATOM 293 NH1 ARG A 14 -6.928 6.598 4.626 1.00 0.00 N ATOM 294 NH2 ARG A 14 -7.904 5.604 6.440 1.00 0.00 N ATOM 0 H ARG A 14 -13.428 6.932 2.328 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.211 4.673 1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.102 6.073 3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.150 4.628 3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -9.943 5.691 1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -11.005 7.084 1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.687 7.311 2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -10.075 7.925 3.838 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.953 5.618 5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.001 7.011 3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.021 6.540 5.089 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.731 5.246 6.919 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.991 5.552 6.892 1.00 0.00 H new ATOM 308 N LYS A 15 -14.294 4.074 3.746 1.00 0.00 N ATOM 309 CA LYS A 15 -15.028 3.034 4.436 1.00 0.00 C ATOM 310 C LYS A 15 -15.851 2.194 3.469 1.00 0.00 C ATOM 311 O LYS A 15 -15.789 0.971 3.560 1.00 0.00 O ATOM 312 CB LYS A 15 -15.817 3.636 5.611 1.00 0.00 C ATOM 313 CG LYS A 15 -16.416 2.557 6.535 1.00 0.00 C ATOM 314 CD LYS A 15 -17.929 2.362 6.338 1.00 0.00 C ATOM 315 CE LYS A 15 -18.747 3.496 6.972 1.00 0.00 C ATOM 316 NZ LYS A 15 -18.793 3.410 8.447 1.00 0.00 N ATOM 0 H LYS A 15 -14.536 5.020 4.041 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.331 2.323 4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -15.160 4.283 6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.619 4.263 5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.908 1.610 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.223 2.829 7.573 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -18.151 2.308 5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.231 1.410 6.775 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.318 4.455 6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.763 3.469 6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.399 4.168 8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.180 2.487 8.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.832 3.514 8.831 1.00 0.00 H new ATOM 330 N LYS A 16 -16.647 2.789 2.565 1.00 0.00 N ATOM 331 CA LYS A 16 -17.429 1.953 1.647 1.00 0.00 C ATOM 332 C LYS A 16 -16.537 1.197 0.676 1.00 0.00 C ATOM 333 O LYS A 16 -16.787 0.012 0.462 1.00 0.00 O ATOM 334 CB LYS A 16 -18.464 2.723 0.821 1.00 0.00 C ATOM 335 CG LYS A 16 -19.745 3.049 1.599 1.00 0.00 C ATOM 336 CD LYS A 16 -20.931 3.384 0.679 1.00 0.00 C ATOM 337 CE LYS A 16 -21.493 2.176 -0.088 1.00 0.00 C ATOM 338 NZ LYS A 16 -22.195 1.207 0.782 1.00 0.00 N ATOM 0 H LYS A 16 -16.763 3.796 2.453 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.959 1.266 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.017 3.652 0.467 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.723 2.137 -0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.008 2.199 2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.557 3.892 2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.729 3.823 1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -20.617 4.142 -0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.181 2.530 -0.856 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.676 1.668 -0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.550 0.417 0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.536 0.844 1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -22.994 1.678 1.253 1.00 0.00 H new ATOM 352 N GLU A 17 -15.530 1.845 0.083 1.00 0.00 N ATOM 353 CA GLU A 17 -14.679 1.154 -0.881 1.00 0.00 C ATOM 354 C GLU A 17 -13.923 -0.009 -0.259 1.00 0.00 C ATOM 355 O GLU A 17 -13.959 -1.118 -0.798 1.00 0.00 O ATOM 356 CB GLU A 17 -13.710 2.117 -1.559 1.00 0.00 C ATOM 357 CG GLU A 17 -14.398 3.125 -2.490 1.00 0.00 C ATOM 358 CD GLU A 17 -13.571 3.396 -3.747 1.00 0.00 C ATOM 359 OE1 GLU A 17 -12.317 3.424 -3.668 1.00 0.00 O ATOM 360 OE2 GLU A 17 -14.181 3.495 -4.826 1.00 0.00 O ATOM 0 H GLU A 17 -15.290 2.822 0.249 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.345 0.742 -1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.156 2.661 -0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.982 1.543 -2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.379 2.745 -2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.562 4.060 -1.955 1.00 0.00 H new ATOM 367 N GLY A 18 -13.268 0.227 0.885 1.00 0.00 N ATOM 368 CA GLY A 18 -12.504 -0.782 1.590 1.00 0.00 C ATOM 369 C GLY A 18 -13.435 -1.912 2.003 1.00 0.00 C ATOM 370 O GLY A 18 -13.123 -3.080 1.778 1.00 0.00 O ATOM 0 H GLY A 18 -13.260 1.138 1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.708 -1.165 0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.027 -0.347 2.469 1.00 0.00 H new ATOM 374 N GLU A 19 -14.612 -1.594 2.552 1.00 0.00 N ATOM 375 CA GLU A 19 -15.586 -2.597 2.948 1.00 0.00 C ATOM 376 C GLU A 19 -16.014 -3.414 1.728 1.00 0.00 C ATOM 377 O GLU A 19 -16.171 -4.634 1.823 1.00 0.00 O ATOM 378 CB GLU A 19 -16.805 -1.912 3.582 1.00 0.00 C ATOM 379 CG GLU A 19 -17.957 -2.879 3.866 1.00 0.00 C ATOM 380 CD GLU A 19 -19.076 -2.177 4.634 1.00 0.00 C ATOM 381 OE1 GLU A 19 -19.791 -1.345 4.023 1.00 0.00 O ATOM 382 OE2 GLU A 19 -19.253 -2.485 5.834 1.00 0.00 O ATOM 0 H GLU A 19 -14.909 -0.635 2.731 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.136 -3.268 3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.502 -1.434 4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.157 -1.122 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.346 -3.274 2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.591 -3.729 4.443 1.00 0.00 H new ATOM 389 N LYS A 20 -16.170 -2.785 0.560 1.00 0.00 N ATOM 390 CA LYS A 20 -16.597 -3.489 -0.635 1.00 0.00 C ATOM 391 C LYS A 20 -15.524 -4.469 -1.098 1.00 0.00 C ATOM 392 O LYS A 20 -15.866 -5.634 -1.332 1.00 0.00 O ATOM 393 CB LYS A 20 -16.935 -2.447 -1.724 1.00 0.00 C ATOM 394 CG LYS A 20 -17.725 -3.006 -2.917 1.00 0.00 C ATOM 395 CD LYS A 20 -19.215 -3.208 -2.602 1.00 0.00 C ATOM 396 CE LYS A 20 -20.029 -3.527 -3.862 1.00 0.00 C ATOM 397 NZ LYS A 20 -19.686 -4.836 -4.445 1.00 0.00 N ATOM 0 H LYS A 20 -16.005 -1.788 0.424 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.488 -4.080 -0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.509 -1.639 -1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.007 -2.010 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.626 -2.326 -3.763 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.290 -3.958 -3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.327 -4.019 -1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.612 -2.308 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.091 -3.510 -3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.861 -2.748 -4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.240 -4.986 -5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.672 -4.859 -4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.903 -5.588 -3.761 1.00 0.00 H new ATOM 411 N ILE A 21 -14.249 -4.058 -1.179 1.00 0.00 N ATOM 412 CA ILE A 21 -13.231 -5.000 -1.640 1.00 0.00 C ATOM 413 C ILE A 21 -12.883 -6.023 -0.558 1.00 0.00 C ATOM 414 O ILE A 21 -12.672 -7.186 -0.889 1.00 0.00 O ATOM 415 CB ILE A 21 -11.990 -4.238 -2.163 1.00 0.00 C ATOM 416 CG1 ILE A 21 -10.911 -5.160 -2.764 1.00 0.00 C ATOM 417 CG2 ILE A 21 -11.310 -3.363 -1.099 1.00 0.00 C ATOM 418 CD1 ILE A 21 -11.423 -6.061 -3.888 1.00 0.00 C ATOM 0 H ILE A 21 -13.914 -3.124 -0.943 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.637 -5.571 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.406 -3.602 -2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.095 -4.547 -3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.497 -5.784 -1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.449 -2.860 -1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -12.018 -2.619 -0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.981 -3.989 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.606 -6.680 -4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -12.219 -6.701 -3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.810 -5.445 -4.700 1.00 0.00 H new ATOM 430 N ARG A 22 -12.981 -5.676 0.729 1.00 0.00 N ATOM 431 CA ARG A 22 -12.674 -6.603 1.810 1.00 0.00 C ATOM 432 C ARG A 22 -13.755 -7.655 1.866 1.00 0.00 C ATOM 433 O ARG A 22 -13.443 -8.837 1.891 1.00 0.00 O ATOM 434 CB ARG A 22 -12.507 -5.862 3.149 1.00 0.00 C ATOM 435 CG ARG A 22 -11.927 -6.741 4.273 1.00 0.00 C ATOM 436 CD ARG A 22 -12.900 -7.707 4.969 1.00 0.00 C ATOM 437 NE ARG A 22 -13.990 -7.010 5.670 1.00 0.00 N ATOM 438 CZ ARG A 22 -14.963 -7.630 6.351 1.00 0.00 C ATOM 439 NH1 ARG A 22 -15.234 -8.919 6.168 1.00 0.00 N ATOM 440 NH2 ARG A 22 -15.688 -6.953 7.229 1.00 0.00 N ATOM 0 H ARG A 22 -13.273 -4.751 1.044 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.720 -7.094 1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.855 -5.001 2.999 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.476 -5.476 3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.106 -7.326 3.858 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.499 -6.085 5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.325 -8.384 4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.349 -8.320 5.682 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.006 -5.991 5.635 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.695 -9.463 5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.981 -9.364 6.701 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.505 -5.962 7.385 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.429 -7.423 7.749 1.00 0.00 H new ATOM 454 N LYS A 23 -15.031 -7.270 1.873 1.00 0.00 N ATOM 455 CA LYS A 23 -16.103 -8.257 1.925 1.00 0.00 C ATOM 456 C LYS A 23 -16.062 -9.147 0.688 1.00 0.00 C ATOM 457 O LYS A 23 -16.359 -10.336 0.788 1.00 0.00 O ATOM 458 CB LYS A 23 -17.465 -7.582 2.117 1.00 0.00 C ATOM 459 CG LYS A 23 -17.605 -7.001 3.538 1.00 0.00 C ATOM 460 CD LYS A 23 -19.010 -6.446 3.818 1.00 0.00 C ATOM 461 CE LYS A 23 -19.990 -7.597 4.057 1.00 0.00 C ATOM 462 NZ LYS A 23 -21.404 -7.175 4.033 1.00 0.00 N ATOM 0 H LYS A 23 -15.342 -6.299 1.844 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.950 -8.899 2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -17.586 -6.786 1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.261 -8.305 1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.374 -7.777 4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.871 -6.206 3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.985 -5.792 4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.345 -5.841 2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -19.834 -8.362 3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.772 -8.057 5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -22.015 -7.999 4.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.567 -6.466 4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.627 -6.762 3.105 1.00 0.00 H new ATOM 476 N LYS A 24 -15.716 -8.601 -0.494 1.00 0.00 N ATOM 477 CA LYS A 24 -15.661 -9.457 -1.676 1.00 0.00 C ATOM 478 C LYS A 24 -14.458 -10.411 -1.598 1.00 0.00 C ATOM 479 O LYS A 24 -14.659 -11.614 -1.777 1.00 0.00 O ATOM 480 CB LYS A 24 -15.673 -8.604 -2.967 1.00 0.00 C ATOM 481 CG LYS A 24 -16.582 -9.224 -4.040 1.00 0.00 C ATOM 482 CD LYS A 24 -15.940 -10.438 -4.712 1.00 0.00 C ATOM 483 CE LYS A 24 -16.977 -11.265 -5.467 1.00 0.00 C ATOM 484 NZ LYS A 24 -16.551 -12.669 -5.598 1.00 0.00 N ATOM 0 H LYS A 24 -15.482 -7.620 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.553 -10.083 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.016 -7.596 -2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.658 -8.514 -3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -17.527 -9.521 -3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.813 -8.473 -4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.163 -10.107 -5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.454 -11.059 -3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.932 -11.220 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.136 -10.837 -6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.901 -13.055 -6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.512 -12.720 -5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.939 -13.225 -4.809 1.00 0.00 H new ATOM 498 N TYR A 25 -13.262 -9.950 -1.236 1.00 0.00 N ATOM 499 CA TYR A 25 -12.068 -10.784 -1.148 1.00 0.00 C ATOM 500 C TYR A 25 -11.291 -10.526 0.149 1.00 0.00 C ATOM 501 O TYR A 25 -10.265 -9.861 0.113 1.00 0.00 O ATOM 502 CB TYR A 25 -11.156 -10.561 -2.373 1.00 0.00 C ATOM 503 CG TYR A 25 -11.772 -10.731 -3.747 1.00 0.00 C ATOM 504 CD1 TYR A 25 -12.350 -11.952 -4.134 1.00 0.00 C ATOM 505 CD2 TYR A 25 -11.702 -9.674 -4.669 1.00 0.00 C ATOM 506 CE1 TYR A 25 -12.883 -12.109 -5.427 1.00 0.00 C ATOM 507 CE2 TYR A 25 -12.240 -9.815 -5.954 1.00 0.00 C ATOM 508 CZ TYR A 25 -12.841 -11.030 -6.341 1.00 0.00 C ATOM 509 OH TYR A 25 -13.403 -11.149 -7.575 1.00 0.00 O ATOM 0 H TYR A 25 -13.094 -8.974 -0.993 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.396 -11.823 -1.138 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.749 -9.552 -2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -10.314 -11.249 -2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.385 -12.775 -3.435 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.230 -8.745 -4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.323 -13.051 -5.721 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.194 -8.991 -6.650 1.00 0.00 H new ATOM 0 HH TYR A 25 -13.283 -10.312 -8.071 1.00 0.00 H new ATOM 519 N PRO A 26 -11.702 -11.072 1.307 1.00 0.00 N ATOM 520 CA PRO A 26 -10.984 -10.884 2.574 1.00 0.00 C ATOM 521 C PRO A 26 -9.637 -11.621 2.570 1.00 0.00 C ATOM 522 O PRO A 26 -8.823 -11.489 3.483 1.00 0.00 O ATOM 523 CB PRO A 26 -11.926 -11.391 3.662 1.00 0.00 C ATOM 524 CG PRO A 26 -12.764 -12.424 2.920 1.00 0.00 C ATOM 525 CD PRO A 26 -12.888 -11.874 1.507 1.00 0.00 C ATOM 0 HA PRO A 26 -10.729 -9.838 2.744 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.381 -11.834 4.496 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.540 -10.590 4.072 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.283 -13.402 2.924 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.742 -12.548 3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.947 -12.679 0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.792 -11.275 1.395 1.00 0.00 H new ATOM 533 N ASP A 27 -9.392 -12.419 1.532 1.00 0.00 N ATOM 534 CA ASP A 27 -8.170 -13.175 1.301 1.00 0.00 C ATOM 535 C ASP A 27 -7.025 -12.199 0.958 1.00 0.00 C ATOM 536 O ASP A 27 -5.867 -12.595 0.842 1.00 0.00 O ATOM 537 CB ASP A 27 -8.448 -14.146 0.140 1.00 0.00 C ATOM 538 CG ASP A 27 -7.621 -15.432 0.146 1.00 0.00 C ATOM 539 OD1 ASP A 27 -6.400 -15.424 0.396 1.00 0.00 O ATOM 540 OD2 ASP A 27 -8.212 -16.489 -0.170 1.00 0.00 O ATOM 0 H ASP A 27 -10.080 -12.561 0.792 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.869 -13.738 2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.504 -14.414 0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.268 -13.623 -0.799 1.00 0.00 H new ATOM 545 N ARG A 28 -7.344 -10.913 0.739 1.00 0.00 N ATOM 546 CA ARG A 28 -6.439 -9.821 0.415 1.00 0.00 C ATOM 547 C ARG A 28 -6.910 -8.533 1.076 1.00 0.00 C ATOM 548 O ARG A 28 -8.097 -8.348 1.333 1.00 0.00 O ATOM 549 CB ARG A 28 -6.296 -9.667 -1.107 1.00 0.00 C ATOM 550 CG ARG A 28 -7.642 -9.474 -1.829 1.00 0.00 C ATOM 551 CD ARG A 28 -7.516 -9.628 -3.345 1.00 0.00 C ATOM 552 NE ARG A 28 -7.191 -11.025 -3.666 1.00 0.00 N ATOM 553 CZ ARG A 28 -7.752 -11.830 -4.570 1.00 0.00 C ATOM 554 NH1 ARG A 28 -8.629 -11.381 -5.464 1.00 0.00 N ATOM 555 NH2 ARG A 28 -7.408 -13.106 -4.542 1.00 0.00 N ATOM 0 H ARG A 28 -8.312 -10.597 0.790 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.449 -10.052 0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.652 -8.814 -1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.799 -10.550 -1.509 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.362 -10.200 -1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.037 -8.484 -1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.448 -9.339 -3.830 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.739 -8.965 -3.726 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.432 -11.436 -3.123 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.890 -10.395 -5.471 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.040 -12.023 -6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.739 -13.439 -3.848 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.812 -13.758 -5.214 1.00 0.00 H new ATOM 569 N VAL A 29 -5.973 -7.612 1.253 1.00 0.00 N ATOM 570 CA VAL A 29 -6.165 -6.319 1.877 1.00 0.00 C ATOM 571 C VAL A 29 -5.703 -5.232 0.896 1.00 0.00 C ATOM 572 O VAL A 29 -4.656 -5.396 0.245 1.00 0.00 O ATOM 573 CB VAL A 29 -5.421 -6.318 3.238 1.00 0.00 C ATOM 574 CG1 VAL A 29 -3.983 -6.871 3.164 1.00 0.00 C ATOM 575 CG2 VAL A 29 -5.391 -4.932 3.898 1.00 0.00 C ATOM 0 H VAL A 29 -5.011 -7.758 0.948 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.211 -6.108 2.097 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.010 -6.996 3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.529 -6.838 4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.007 -7.902 2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.395 -6.265 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.858 -4.992 4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.883 -4.227 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.411 -4.592 4.076 1.00 0.00 H new ATOM 585 N PRO A 30 -6.497 -4.160 0.698 1.00 0.00 N ATOM 586 CA PRO A 30 -6.121 -3.067 -0.179 1.00 0.00 C ATOM 587 C PRO A 30 -5.060 -2.239 0.562 1.00 0.00 C ATOM 588 O PRO A 30 -5.261 -1.807 1.702 1.00 0.00 O ATOM 589 CB PRO A 30 -7.413 -2.295 -0.438 1.00 0.00 C ATOM 590 CG PRO A 30 -8.207 -2.485 0.853 1.00 0.00 C ATOM 591 CD PRO A 30 -7.758 -3.855 1.364 1.00 0.00 C ATOM 0 HA PRO A 30 -5.690 -3.370 -1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.218 -1.241 -0.638 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.950 -2.689 -1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.989 -1.698 1.575 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.281 -2.460 0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.630 -3.841 2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.507 -4.615 1.141 1.00 0.00 H new ATOM 599 N VAL A 31 -3.933 -2.009 -0.102 1.00 0.00 N ATOM 600 CA VAL A 31 -2.806 -1.268 0.436 1.00 0.00 C ATOM 601 C VAL A 31 -2.550 -0.061 -0.453 1.00 0.00 C ATOM 602 O VAL A 31 -2.692 -0.139 -1.676 1.00 0.00 O ATOM 603 CB VAL A 31 -1.588 -2.207 0.557 1.00 0.00 C ATOM 604 CG1 VAL A 31 -0.347 -1.469 1.077 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.890 -3.362 1.522 1.00 0.00 C ATOM 0 H VAL A 31 -3.777 -2.343 -1.053 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.014 -0.896 1.439 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.388 -2.587 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.488 -2.166 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.089 -0.662 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.557 -1.054 2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.019 -4.013 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.125 -2.961 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.741 -3.934 1.151 1.00 0.00 H new ATOM 615 N ILE A 32 -2.177 1.068 0.145 1.00 0.00 N ATOM 616 CA ILE A 32 -1.886 2.285 -0.601 1.00 0.00 C ATOM 617 C ILE A 32 -0.408 2.579 -0.383 1.00 0.00 C ATOM 618 O ILE A 32 0.098 2.482 0.736 1.00 0.00 O ATOM 619 CB ILE A 32 -2.856 3.428 -0.245 1.00 0.00 C ATOM 620 CG1 ILE A 32 -4.316 2.930 -0.392 1.00 0.00 C ATOM 621 CG2 ILE A 32 -2.587 4.609 -1.199 1.00 0.00 C ATOM 622 CD1 ILE A 32 -5.386 4.015 -0.251 1.00 0.00 C ATOM 0 H ILE A 32 -2.069 1.163 1.155 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.057 2.165 -1.671 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.705 3.752 0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.426 2.457 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.499 2.161 0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.265 5.429 -0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.557 4.944 -1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.749 4.289 -2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.374 3.569 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.311 4.474 0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.237 4.775 -1.018 1.00 0.00 H new ATOM 634 N VAL A 33 0.274 2.916 -1.477 1.00 0.00 N ATOM 635 CA VAL A 33 1.694 3.212 -1.543 1.00 0.00 C ATOM 636 C VAL A 33 1.957 4.720 -1.596 1.00 0.00 C ATOM 637 O VAL A 33 1.556 5.380 -2.560 1.00 0.00 O ATOM 638 CB VAL A 33 2.253 2.480 -2.784 1.00 0.00 C ATOM 639 CG1 VAL A 33 3.697 2.888 -3.084 1.00 0.00 C ATOM 640 CG2 VAL A 33 2.181 0.949 -2.618 1.00 0.00 C ATOM 0 H VAL A 33 -0.179 2.992 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 33 2.199 2.863 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 33 1.624 2.777 -3.623 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.052 2.351 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.740 3.961 -3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.329 2.644 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.582 0.467 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.766 0.649 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.143 0.647 -2.478 1.00 0.00 H new ATOM 650 N GLU A 34 2.698 5.242 -0.616 1.00 0.00 N ATOM 651 CA GLU A 34 3.072 6.649 -0.507 1.00 0.00 C ATOM 652 C GLU A 34 4.601 6.791 -0.518 1.00 0.00 C ATOM 653 O GLU A 34 5.317 5.964 0.060 1.00 0.00 O ATOM 654 CB GLU A 34 2.427 7.247 0.745 1.00 0.00 C ATOM 655 CG GLU A 34 2.565 8.779 0.783 1.00 0.00 C ATOM 656 CD GLU A 34 3.555 9.314 1.823 1.00 0.00 C ATOM 657 OE1 GLU A 34 4.577 8.657 2.111 1.00 0.00 O ATOM 658 OE2 GLU A 34 3.253 10.406 2.371 1.00 0.00 O ATOM 0 H GLU A 34 3.065 4.675 0.148 1.00 0.00 H new ATOM 0 HA GLU A 34 2.701 7.209 -1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.372 6.976 0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.891 6.818 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.874 9.126 -0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.584 9.212 0.980 1.00 0.00 H new ATOM 665 N LYS A 35 5.098 7.795 -1.252 1.00 0.00 N ATOM 666 CA LYS A 35 6.524 8.085 -1.371 1.00 0.00 C ATOM 667 C LYS A 35 6.924 9.023 -0.233 1.00 0.00 C ATOM 668 O LYS A 35 6.292 10.058 -0.031 1.00 0.00 O ATOM 669 CB LYS A 35 6.852 8.658 -2.772 1.00 0.00 C ATOM 670 CG LYS A 35 6.395 10.110 -3.041 1.00 0.00 C ATOM 671 CD LYS A 35 7.455 11.169 -2.669 1.00 0.00 C ATOM 672 CE LYS A 35 8.480 11.433 -3.778 1.00 0.00 C ATOM 673 NZ LYS A 35 7.987 12.428 -4.754 1.00 0.00 N ATOM 0 H LYS A 35 4.509 8.435 -1.785 1.00 0.00 H new ATOM 0 HA LYS A 35 7.110 7.170 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.931 8.606 -2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.396 8.011 -3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.144 10.214 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.484 10.306 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.951 12.104 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.980 10.844 -1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.411 11.788 -3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.707 10.500 -4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.707 12.580 -5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.112 12.078 -5.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.794 13.326 -4.267 1.00 0.00 H new ATOM 687 N ALA A 36 8.045 8.755 0.420 1.00 0.00 N ATOM 688 CA ALA A 36 8.516 9.589 1.516 1.00 0.00 C ATOM 689 C ALA A 36 9.444 10.701 1.014 1.00 0.00 C ATOM 690 O ALA A 36 10.081 10.544 -0.032 1.00 0.00 O ATOM 691 CB ALA A 36 9.328 8.685 2.436 1.00 0.00 C ATOM 0 H ALA A 36 8.649 7.961 0.208 1.00 0.00 H new ATOM 0 HA ALA A 36 7.664 10.050 2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.705 9.266 3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.694 7.879 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.166 8.262 1.883 1.00 0.00 H new ATOM 697 N PRO A 37 9.532 11.827 1.744 1.00 0.00 N ATOM 698 CA PRO A 37 10.407 12.943 1.402 1.00 0.00 C ATOM 699 C PRO A 37 11.849 12.463 1.587 1.00 0.00 C ATOM 700 O PRO A 37 12.092 11.593 2.424 1.00 0.00 O ATOM 701 CB PRO A 37 10.066 14.062 2.395 1.00 0.00 C ATOM 702 CG PRO A 37 9.463 13.321 3.590 1.00 0.00 C ATOM 703 CD PRO A 37 8.816 12.091 2.979 1.00 0.00 C ATOM 0 HA PRO A 37 10.285 13.299 0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.953 14.627 2.681 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.359 14.774 1.968 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.228 13.049 4.317 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.732 13.937 4.113 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.882 11.240 3.656 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.757 12.264 2.786 1.00 0.00 H new ATOM 711 N LYS A 38 12.809 13.065 0.878 1.00 0.00 N ATOM 712 CA LYS A 38 14.248 12.744 0.898 1.00 0.00 C ATOM 713 C LYS A 38 14.564 11.474 0.112 1.00 0.00 C ATOM 714 O LYS A 38 15.743 11.185 -0.062 1.00 0.00 O ATOM 715 CB LYS A 38 14.862 12.655 2.308 1.00 0.00 C ATOM 716 CG LYS A 38 14.646 13.925 3.138 1.00 0.00 C ATOM 717 CD LYS A 38 14.944 13.670 4.619 1.00 0.00 C ATOM 718 CE LYS A 38 13.679 13.351 5.429 1.00 0.00 C ATOM 719 NZ LYS A 38 13.003 12.084 5.074 1.00 0.00 N ATOM 0 H LYS A 38 12.596 13.831 0.239 1.00 0.00 H new ATOM 0 HA LYS A 38 14.718 13.596 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.427 11.806 2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.931 12.462 2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.291 14.721 2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.618 14.268 3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.646 12.841 4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.432 14.547 5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.943 13.319 6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.970 14.169 5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.457 11.742 5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.362 12.246 4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.715 11.373 4.811 1.00 0.00 H new ATOM 733 N ALA A 39 13.564 10.710 -0.338 1.00 0.00 N ATOM 734 CA ALA A 39 13.785 9.498 -1.109 1.00 0.00 C ATOM 735 C ALA A 39 14.445 9.853 -2.446 1.00 0.00 C ATOM 736 O ALA A 39 14.457 11.013 -2.868 1.00 0.00 O ATOM 737 CB ALA A 39 12.462 8.757 -1.318 1.00 0.00 C ATOM 0 H ALA A 39 12.580 10.921 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 39 14.454 8.834 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.640 7.851 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.037 8.492 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.766 9.400 -1.856 1.00 0.00 H new ATOM 743 N ARG A 40 15.018 8.851 -3.111 1.00 0.00 N ATOM 744 CA ARG A 40 15.687 9.007 -4.392 1.00 0.00 C ATOM 745 C ARG A 40 15.283 7.813 -5.251 1.00 0.00 C ATOM 746 O ARG A 40 16.072 6.909 -5.516 1.00 0.00 O ATOM 747 CB ARG A 40 17.186 9.130 -4.097 1.00 0.00 C ATOM 748 CG ARG A 40 17.980 9.847 -5.188 1.00 0.00 C ATOM 749 CD ARG A 40 18.143 9.046 -6.478 1.00 0.00 C ATOM 750 NE ARG A 40 18.900 7.810 -6.264 1.00 0.00 N ATOM 751 CZ ARG A 40 19.281 6.985 -7.236 1.00 0.00 C ATOM 752 NH1 ARG A 40 19.007 7.265 -8.507 1.00 0.00 N ATOM 753 NH2 ARG A 40 19.915 5.862 -6.933 1.00 0.00 N ATOM 0 H ARG A 40 15.028 7.892 -2.764 1.00 0.00 H new ATOM 0 HA ARG A 40 15.409 9.898 -4.954 1.00 0.00 H new ATOM 0 HB2 ARG A 40 17.318 9.665 -3.156 1.00 0.00 H new ATOM 0 HB3 ARG A 40 17.601 8.132 -3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 40 17.485 10.790 -5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 40 18.968 10.092 -4.800 1.00 0.00 H new ATOM 0 HD2 ARG A 40 17.160 8.804 -6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 40 18.651 9.658 -7.223 1.00 0.00 H new ATOM 0 HE ARG A 40 19.152 7.566 -5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 40 18.501 8.118 -8.744 1.00 0.00 H new ATOM 0 HH12 ARG A 40 19.303 6.626 -9.245 1.00 0.00 H new ATOM 0 HH21 ARG A 40 20.109 5.633 -5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 40 20.209 5.226 -7.675 1.00 0.00 H new ATOM 767 N VAL A 41 14.020 7.798 -5.660 1.00 0.00 N ATOM 768 CA VAL A 41 13.421 6.739 -6.465 1.00 0.00 C ATOM 769 C VAL A 41 12.608 7.331 -7.627 1.00 0.00 C ATOM 770 O VAL A 41 12.190 8.492 -7.540 1.00 0.00 O ATOM 771 CB VAL A 41 12.564 5.849 -5.531 1.00 0.00 C ATOM 772 CG1 VAL A 41 13.420 5.166 -4.451 1.00 0.00 C ATOM 773 CG2 VAL A 41 11.433 6.614 -4.824 1.00 0.00 C ATOM 0 H VAL A 41 13.364 8.545 -5.434 1.00 0.00 H new ATOM 0 HA VAL A 41 14.194 6.122 -6.924 1.00 0.00 H new ATOM 0 HB VAL A 41 12.121 5.105 -6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.782 4.551 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.173 4.537 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 41 13.913 5.925 -3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 41 10.874 5.929 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 41 11.859 7.411 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.764 7.044 -5.569 1.00 0.00 H new ATOM 783 N PRO A 42 12.378 6.586 -8.724 1.00 0.00 N ATOM 784 CA PRO A 42 11.586 7.077 -9.843 1.00 0.00 C ATOM 785 C PRO A 42 10.120 7.203 -9.396 1.00 0.00 C ATOM 786 O PRO A 42 9.705 6.611 -8.389 1.00 0.00 O ATOM 787 CB PRO A 42 11.799 6.068 -10.976 1.00 0.00 C ATOM 788 CG PRO A 42 12.089 4.760 -10.243 1.00 0.00 C ATOM 789 CD PRO A 42 12.812 5.216 -8.973 1.00 0.00 C ATOM 0 HA PRO A 42 11.879 8.068 -10.190 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.916 5.985 -11.610 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.628 6.359 -11.621 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.172 4.218 -10.011 1.00 0.00 H new ATOM 0 HG3 PRO A 42 12.710 4.094 -10.841 1.00 0.00 H new ATOM 0 HD2 PRO A 42 12.563 4.570 -8.131 1.00 0.00 H new ATOM 0 HD3 PRO A 42 13.893 5.168 -9.103 1.00 0.00 H new ATOM 797 N ASP A 43 9.347 8.030 -10.102 1.00 0.00 N ATOM 798 CA ASP A 43 7.937 8.236 -9.768 1.00 0.00 C ATOM 799 C ASP A 43 7.073 7.163 -10.427 1.00 0.00 C ATOM 800 O ASP A 43 7.506 6.546 -11.401 1.00 0.00 O ATOM 801 CB ASP A 43 7.480 9.629 -10.191 1.00 0.00 C ATOM 802 CG ASP A 43 6.248 10.106 -9.441 1.00 0.00 C ATOM 803 OD1 ASP A 43 5.706 9.364 -8.591 1.00 0.00 O ATOM 804 OD2 ASP A 43 5.958 11.322 -9.535 1.00 0.00 O ATOM 0 H ASP A 43 9.672 8.566 -10.906 1.00 0.00 H new ATOM 0 HA ASP A 43 7.824 8.156 -8.687 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.293 10.336 -10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.269 9.626 -11.260 1.00 0.00 H new ATOM 809 N LEU A 44 5.907 6.866 -9.850 1.00 0.00 N ATOM 810 CA LEU A 44 4.971 5.856 -10.325 1.00 0.00 C ATOM 811 C LEU A 44 3.546 6.407 -10.284 1.00 0.00 C ATOM 812 O LEU A 44 3.110 6.843 -9.218 1.00 0.00 O ATOM 813 CB LEU A 44 5.085 4.618 -9.414 1.00 0.00 C ATOM 814 CG LEU A 44 6.499 4.012 -9.271 1.00 0.00 C ATOM 815 CD1 LEU A 44 6.596 3.115 -8.038 1.00 0.00 C ATOM 816 CD2 LEU A 44 6.882 3.190 -10.498 1.00 0.00 C ATOM 0 H LEU A 44 5.581 7.342 -9.009 1.00 0.00 H new ATOM 0 HA LEU A 44 5.206 5.583 -11.354 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.724 4.887 -8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.417 3.846 -9.797 1.00 0.00 H new ATOM 0 HG LEU A 44 7.186 4.852 -9.168 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.603 2.704 -7.965 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.378 3.700 -7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.877 2.300 -8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.882 2.779 -10.363 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.169 2.375 -10.627 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.868 3.828 -11.382 1.00 0.00 H new ATOM 828 N ASP A 45 2.776 6.300 -11.372 1.00 0.00 N ATOM 829 CA ASP A 45 1.389 6.798 -11.395 1.00 0.00 C ATOM 830 C ASP A 45 0.430 5.912 -10.589 1.00 0.00 C ATOM 831 O ASP A 45 -0.653 6.357 -10.207 1.00 0.00 O ATOM 832 CB ASP A 45 0.848 6.953 -12.830 1.00 0.00 C ATOM 833 CG ASP A 45 0.345 5.642 -13.447 1.00 0.00 C ATOM 834 OD1 ASP A 45 1.209 4.819 -13.838 1.00 0.00 O ATOM 835 OD2 ASP A 45 -0.885 5.439 -13.587 1.00 0.00 O ATOM 0 H ASP A 45 3.084 5.876 -12.247 1.00 0.00 H new ATOM 0 HA ASP A 45 1.431 7.780 -10.925 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.033 7.677 -12.825 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.635 7.363 -13.463 1.00 0.00 H new ATOM 840 N LYS A 46 0.802 4.659 -10.306 1.00 0.00 N ATOM 841 CA LYS A 46 -0.052 3.737 -9.561 1.00 0.00 C ATOM 842 C LYS A 46 0.180 3.885 -8.068 1.00 0.00 C ATOM 843 O LYS A 46 1.328 3.805 -7.621 1.00 0.00 O ATOM 844 CB LYS A 46 0.155 2.279 -9.996 1.00 0.00 C ATOM 845 CG LYS A 46 0.092 2.048 -11.512 1.00 0.00 C ATOM 846 CD LYS A 46 1.456 2.098 -12.218 1.00 0.00 C ATOM 847 CE LYS A 46 2.313 0.872 -11.880 1.00 0.00 C ATOM 848 NZ LYS A 46 3.437 1.199 -10.982 1.00 0.00 N ATOM 0 H LYS A 46 1.698 4.260 -10.586 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.086 3.999 -9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.124 1.939 -9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.603 1.660 -9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.366 1.077 -11.701 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.561 2.800 -11.955 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.306 2.152 -13.296 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.985 3.005 -11.924 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.687 0.113 -11.411 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.702 0.440 -12.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.332 0.918 -11.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.448 2.223 -10.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.324 0.687 -10.084 1.00 0.00 H new ATOM 862 N ARG A 47 -0.893 4.012 -7.285 1.00 0.00 N ATOM 863 CA ARG A 47 -0.824 4.160 -5.826 1.00 0.00 C ATOM 864 C ARG A 47 -1.668 3.132 -5.080 1.00 0.00 C ATOM 865 O ARG A 47 -1.265 2.697 -4.006 1.00 0.00 O ATOM 866 CB ARG A 47 -1.223 5.595 -5.443 1.00 0.00 C ATOM 867 CG ARG A 47 -0.095 6.589 -5.758 1.00 0.00 C ATOM 868 CD ARG A 47 -0.561 8.047 -5.783 1.00 0.00 C ATOM 869 NE ARG A 47 -1.296 8.365 -7.019 1.00 0.00 N ATOM 870 CZ ARG A 47 -0.765 8.781 -8.179 1.00 0.00 C ATOM 871 NH1 ARG A 47 0.551 8.940 -8.301 1.00 0.00 N ATOM 872 NH2 ARG A 47 -1.563 9.052 -9.207 1.00 0.00 N ATOM 0 H ARG A 47 -1.846 4.015 -7.648 1.00 0.00 H new ATOM 0 HA ARG A 47 0.205 3.971 -5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.125 5.881 -5.984 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.462 5.637 -4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.694 6.480 -5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.342 6.338 -6.725 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.199 8.239 -4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.302 8.706 -5.694 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.310 8.258 -6.990 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.164 8.745 -7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.947 9.257 -9.186 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.573 8.943 -9.111 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.166 9.369 -10.091 1.00 0.00 H new ATOM 886 N LYS A 48 -2.824 2.733 -5.620 1.00 0.00 N ATOM 887 CA LYS A 48 -3.711 1.752 -4.996 1.00 0.00 C ATOM 888 C LYS A 48 -3.256 0.345 -5.398 1.00 0.00 C ATOM 889 O LYS A 48 -3.185 0.040 -6.586 1.00 0.00 O ATOM 890 CB LYS A 48 -5.181 2.047 -5.369 1.00 0.00 C ATOM 891 CG LYS A 48 -5.478 2.366 -6.855 1.00 0.00 C ATOM 892 CD LYS A 48 -5.563 3.880 -7.132 1.00 0.00 C ATOM 893 CE LYS A 48 -5.679 4.224 -8.625 1.00 0.00 C ATOM 894 NZ LYS A 48 -6.941 3.764 -9.248 1.00 0.00 N ATOM 0 H LYS A 48 -3.172 3.087 -6.511 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.655 1.818 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.783 1.186 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.521 2.890 -4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.698 1.930 -7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.418 1.895 -7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.424 4.290 -6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.678 4.367 -6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.597 5.304 -8.747 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.839 3.779 -9.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.949 4.030 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.013 2.730 -9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.748 4.208 -8.766 1.00 0.00 H new ATOM 908 N TYR A 49 -2.979 -0.524 -4.428 1.00 0.00 N ATOM 909 CA TYR A 49 -2.516 -1.897 -4.613 1.00 0.00 C ATOM 910 C TYR A 49 -3.362 -2.864 -3.755 1.00 0.00 C ATOM 911 O TYR A 49 -4.158 -2.443 -2.918 1.00 0.00 O ATOM 912 CB TYR A 49 -0.997 -1.953 -4.303 1.00 0.00 C ATOM 913 CG TYR A 49 -0.099 -1.581 -5.484 1.00 0.00 C ATOM 914 CD1 TYR A 49 0.029 -0.243 -5.906 1.00 0.00 C ATOM 915 CD2 TYR A 49 0.574 -2.583 -6.210 1.00 0.00 C ATOM 916 CE1 TYR A 49 0.724 0.068 -7.091 1.00 0.00 C ATOM 917 CE2 TYR A 49 1.258 -2.290 -7.397 1.00 0.00 C ATOM 918 CZ TYR A 49 1.295 -0.965 -7.870 1.00 0.00 C ATOM 919 OH TYR A 49 1.895 -0.710 -9.064 1.00 0.00 O ATOM 0 H TYR A 49 -3.076 -0.277 -3.443 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.650 -2.222 -5.645 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.783 -1.280 -3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.743 -2.960 -3.971 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.409 0.549 -5.317 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.562 -3.599 -5.844 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.821 1.097 -7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.754 -3.077 -7.946 1.00 0.00 H new ATOM 0 HH TYR A 49 2.227 -1.548 -9.449 1.00 0.00 H new ATOM 929 N LEU A 50 -3.235 -4.179 -3.974 1.00 0.00 N ATOM 930 CA LEU A 50 -3.954 -5.256 -3.269 1.00 0.00 C ATOM 931 C LEU A 50 -3.030 -6.463 -3.078 1.00 0.00 C ATOM 932 O LEU A 50 -2.470 -6.966 -4.066 1.00 0.00 O ATOM 933 CB LEU A 50 -5.199 -5.675 -4.080 1.00 0.00 C ATOM 934 CG LEU A 50 -6.485 -4.964 -3.624 1.00 0.00 C ATOM 935 CD1 LEU A 50 -7.510 -4.938 -4.756 1.00 0.00 C ATOM 936 CD2 LEU A 50 -7.112 -5.677 -2.422 1.00 0.00 C ATOM 0 H LEU A 50 -2.597 -4.542 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.270 -4.890 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.027 -5.460 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.336 -6.753 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.212 -3.947 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.414 -4.432 -4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.094 -4.405 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.754 -5.959 -5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.019 -5.153 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.359 -6.703 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.404 -5.683 -1.593 1.00 0.00 H new ATOM 948 N VAL A 51 -2.874 -6.944 -1.843 1.00 0.00 N ATOM 949 CA VAL A 51 -2.006 -8.088 -1.543 1.00 0.00 C ATOM 950 C VAL A 51 -2.705 -9.074 -0.596 1.00 0.00 C ATOM 951 O VAL A 51 -3.517 -8.642 0.220 1.00 0.00 O ATOM 952 CB VAL A 51 -0.654 -7.613 -0.974 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.207 -6.940 -2.052 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.805 -6.650 0.207 1.00 0.00 C ATOM 0 H VAL A 51 -3.343 -6.555 -1.025 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.804 -8.619 -2.473 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.160 -8.517 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.152 -6.618 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.402 -7.649 -2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.321 -6.074 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.182 -6.352 0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.357 -5.766 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.347 -7.145 1.013 1.00 0.00 H new ATOM 964 N PRO A 52 -2.398 -10.380 -0.680 1.00 0.00 N ATOM 965 CA PRO A 52 -3.001 -11.417 0.143 1.00 0.00 C ATOM 966 C PRO A 52 -2.473 -11.497 1.574 1.00 0.00 C ATOM 967 O PRO A 52 -1.322 -11.135 1.849 1.00 0.00 O ATOM 968 CB PRO A 52 -2.686 -12.723 -0.581 1.00 0.00 C ATOM 969 CG PRO A 52 -1.376 -12.448 -1.282 1.00 0.00 C ATOM 970 CD PRO A 52 -1.461 -10.965 -1.620 1.00 0.00 C ATOM 0 HA PRO A 52 -4.064 -11.202 0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.597 -13.555 0.118 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.471 -12.985 -1.291 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.523 -12.665 -0.639 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.264 -13.059 -2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.483 -10.492 -1.537 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.800 -10.820 -2.646 1.00 0.00 H new ATOM 978 N SER A 53 -3.255 -12.120 2.462 1.00 0.00 N ATOM 979 CA SER A 53 -2.890 -12.307 3.868 1.00 0.00 C ATOM 980 C SER A 53 -1.708 -13.277 4.040 1.00 0.00 C ATOM 981 O SER A 53 -1.219 -13.440 5.153 1.00 0.00 O ATOM 982 CB SER A 53 -4.070 -12.847 4.681 1.00 0.00 C ATOM 983 OG SER A 53 -5.266 -12.134 4.452 1.00 0.00 O ATOM 0 H SER A 53 -4.166 -12.511 2.222 1.00 0.00 H new ATOM 0 HA SER A 53 -2.600 -11.322 4.233 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.226 -13.897 4.433 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.824 -12.803 5.742 1.00 0.00 H new ATOM 0 HG SER A 53 -5.986 -12.520 4.993 1.00 0.00 H new ATOM 989 N ASP A 54 -1.149 -13.833 2.960 1.00 0.00 N ATOM 990 CA ASP A 54 -0.031 -14.781 2.974 1.00 0.00 C ATOM 991 C ASP A 54 1.335 -14.200 2.572 1.00 0.00 C ATOM 992 O ASP A 54 2.380 -14.749 2.939 1.00 0.00 O ATOM 993 CB ASP A 54 -0.338 -15.875 1.954 1.00 0.00 C ATOM 994 CG ASP A 54 -1.334 -16.907 2.457 1.00 0.00 C ATOM 995 OD1 ASP A 54 -0.891 -17.741 3.280 1.00 0.00 O ATOM 996 OD2 ASP A 54 -2.493 -16.919 1.975 1.00 0.00 O ATOM 0 H ASP A 54 -1.476 -13.627 2.016 1.00 0.00 H new ATOM 0 HA ASP A 54 0.052 -15.120 4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.729 -15.416 1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.590 -16.379 1.682 1.00 0.00 H new ATOM 1001 N LEU A 55 1.346 -13.119 1.792 1.00 0.00 N ATOM 1002 CA LEU A 55 2.546 -12.450 1.298 1.00 0.00 C ATOM 1003 C LEU A 55 3.489 -11.939 2.397 1.00 0.00 C ATOM 1004 O LEU A 55 3.179 -10.950 3.068 1.00 0.00 O ATOM 1005 CB LEU A 55 2.108 -11.290 0.398 1.00 0.00 C ATOM 1006 CG LEU A 55 3.287 -10.541 -0.257 1.00 0.00 C ATOM 1007 CD1 LEU A 55 4.134 -11.433 -1.173 1.00 0.00 C ATOM 1008 CD2 LEU A 55 2.723 -9.338 -1.015 1.00 0.00 C ATOM 0 H LEU A 55 0.486 -12.670 1.476 1.00 0.00 H new ATOM 0 HA LEU A 55 3.126 -13.192 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.453 -11.674 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.522 -10.585 0.987 1.00 0.00 H new ATOM 0 HG LEU A 55 3.969 -10.212 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.946 -10.846 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.549 -12.259 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.510 -11.829 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.539 -8.791 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.027 -9.683 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.201 -8.681 -0.319 1.00 0.00 H new ATOM 1020 N THR A 56 4.663 -12.558 2.571 1.00 0.00 N ATOM 1021 CA THR A 56 5.611 -12.088 3.581 1.00 0.00 C ATOM 1022 C THR A 56 6.013 -10.646 3.230 1.00 0.00 C ATOM 1023 O THR A 56 6.106 -10.288 2.052 1.00 0.00 O ATOM 1024 CB THR A 56 6.838 -13.004 3.709 1.00 0.00 C ATOM 1025 OG1 THR A 56 6.646 -14.319 3.215 1.00 0.00 O ATOM 1026 CG2 THR A 56 7.285 -13.096 5.173 1.00 0.00 C ATOM 0 H THR A 56 4.973 -13.369 2.036 1.00 0.00 H new ATOM 0 HA THR A 56 5.129 -12.112 4.558 1.00 0.00 H new ATOM 0 HB THR A 56 7.602 -12.538 3.087 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.471 -14.836 3.331 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.155 -13.748 5.247 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.544 -12.102 5.537 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.474 -13.503 5.776 1.00 0.00 H new ATOM 1034 N VAL A 57 6.280 -9.811 4.233 1.00 0.00 N ATOM 1035 CA VAL A 57 6.632 -8.418 3.998 1.00 0.00 C ATOM 1036 C VAL A 57 7.926 -8.243 3.192 1.00 0.00 C ATOM 1037 O VAL A 57 7.919 -7.473 2.223 1.00 0.00 O ATOM 1038 CB VAL A 57 6.493 -7.595 5.285 1.00 0.00 C ATOM 1039 CG1 VAL A 57 5.063 -7.680 5.842 1.00 0.00 C ATOM 1040 CG2 VAL A 57 7.493 -7.998 6.358 1.00 0.00 C ATOM 0 H VAL A 57 6.258 -10.079 5.217 1.00 0.00 H new ATOM 0 HA VAL A 57 5.901 -7.980 3.318 1.00 0.00 H new ATOM 0 HB VAL A 57 6.713 -6.563 5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.992 -7.088 6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.361 -7.294 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.820 -8.719 6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.345 -7.380 7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.345 -9.046 6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.506 -7.857 5.982 1.00 0.00 H new ATOM 1050 N GLY A 58 8.983 -9.012 3.497 1.00 0.00 N ATOM 1051 CA GLY A 58 10.250 -8.946 2.778 1.00 0.00 C ATOM 1052 C GLY A 58 10.065 -9.143 1.273 1.00 0.00 C ATOM 1053 O GLY A 58 10.635 -8.392 0.483 1.00 0.00 O ATOM 0 H GLY A 58 8.976 -9.697 4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.722 -7.981 2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.926 -9.710 3.163 1.00 0.00 H new ATOM 1057 N GLN A 59 9.238 -10.110 0.856 1.00 0.00 N ATOM 1058 CA GLN A 59 8.990 -10.378 -0.558 1.00 0.00 C ATOM 1059 C GLN A 59 8.431 -9.147 -1.268 1.00 0.00 C ATOM 1060 O GLN A 59 8.896 -8.810 -2.358 1.00 0.00 O ATOM 1061 CB GLN A 59 8.050 -11.585 -0.735 1.00 0.00 C ATOM 1062 CG GLN A 59 8.811 -12.912 -0.883 1.00 0.00 C ATOM 1063 CD GLN A 59 9.839 -12.927 -2.023 1.00 0.00 C ATOM 1064 OE1 GLN A 59 9.673 -12.270 -3.051 1.00 0.00 O ATOM 1065 NE2 GLN A 59 10.934 -13.653 -1.871 1.00 0.00 N ATOM 0 H GLN A 59 8.726 -10.724 1.490 1.00 0.00 H new ATOM 0 HA GLN A 59 9.947 -10.622 -1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.381 -11.648 0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.426 -11.429 -1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.322 -13.131 0.054 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.091 -13.714 -1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.071 -14.197 -1.019 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.641 -13.669 -2.606 1.00 0.00 H new ATOM 1074 N PHE A 60 7.449 -8.462 -0.676 1.00 0.00 N ATOM 1075 CA PHE A 60 6.890 -7.269 -1.301 1.00 0.00 C ATOM 1076 C PHE A 60 7.972 -6.201 -1.443 1.00 0.00 C ATOM 1077 O PHE A 60 8.071 -5.585 -2.509 1.00 0.00 O ATOM 1078 CB PHE A 60 5.684 -6.758 -0.511 1.00 0.00 C ATOM 1079 CG PHE A 60 5.153 -5.399 -0.932 1.00 0.00 C ATOM 1080 CD1 PHE A 60 5.724 -4.235 -0.387 1.00 0.00 C ATOM 1081 CD2 PHE A 60 4.095 -5.288 -1.854 1.00 0.00 C ATOM 1082 CE1 PHE A 60 5.286 -2.966 -0.798 1.00 0.00 C ATOM 1083 CE2 PHE A 60 3.641 -4.017 -2.253 1.00 0.00 C ATOM 1084 CZ PHE A 60 4.253 -2.857 -1.741 1.00 0.00 C ATOM 0 H PHE A 60 7.032 -8.711 0.221 1.00 0.00 H new ATOM 0 HA PHE A 60 6.534 -7.521 -2.300 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.878 -7.487 -0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.956 -6.711 0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.506 -4.318 0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.632 -6.178 -2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.743 -2.077 -0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.823 -3.931 -2.952 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.927 -1.883 -2.074 1.00 0.00 H new ATOM 1094 N TYR A 61 8.811 -6.011 -0.417 1.00 0.00 N ATOM 1095 CA TYR A 61 9.877 -5.013 -0.477 1.00 0.00 C ATOM 1096 C TYR A 61 10.797 -5.313 -1.666 1.00 0.00 C ATOM 1097 O TYR A 61 11.158 -4.416 -2.425 1.00 0.00 O ATOM 1098 CB TYR A 61 10.686 -4.995 0.834 1.00 0.00 C ATOM 1099 CG TYR A 61 9.900 -4.838 2.127 1.00 0.00 C ATOM 1100 CD1 TYR A 61 8.699 -4.105 2.164 1.00 0.00 C ATOM 1101 CD2 TYR A 61 10.426 -5.356 3.325 1.00 0.00 C ATOM 1102 CE1 TYR A 61 7.998 -3.951 3.370 1.00 0.00 C ATOM 1103 CE2 TYR A 61 9.732 -5.204 4.537 1.00 0.00 C ATOM 1104 CZ TYR A 61 8.498 -4.515 4.560 1.00 0.00 C ATOM 1105 OH TYR A 61 7.830 -4.316 5.730 1.00 0.00 O ATOM 0 H TYR A 61 8.770 -6.534 0.458 1.00 0.00 H new ATOM 0 HA TYR A 61 9.428 -4.029 -0.609 1.00 0.00 H new ATOM 0 HB2 TYR A 61 11.255 -5.923 0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.408 -4.181 0.775 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.315 -3.658 1.259 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.373 -5.876 3.313 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.071 -3.397 3.386 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.141 -5.613 5.449 1.00 0.00 H new ATOM 0 HH TYR A 61 8.303 -4.771 6.458 1.00 0.00 H new ATOM 1115 N PHE A 62 11.147 -6.589 -1.859 1.00 0.00 N ATOM 1116 CA PHE A 62 12.004 -7.054 -2.943 1.00 0.00 C ATOM 1117 C PHE A 62 11.335 -6.815 -4.304 1.00 0.00 C ATOM 1118 O PHE A 62 11.953 -6.285 -5.230 1.00 0.00 O ATOM 1119 CB PHE A 62 12.349 -8.539 -2.732 1.00 0.00 C ATOM 1120 CG PHE A 62 13.558 -8.773 -1.840 1.00 0.00 C ATOM 1121 CD1 PHE A 62 13.671 -8.147 -0.582 1.00 0.00 C ATOM 1122 CD2 PHE A 62 14.605 -9.601 -2.288 1.00 0.00 C ATOM 1123 CE1 PHE A 62 14.820 -8.323 0.203 1.00 0.00 C ATOM 1124 CE2 PHE A 62 15.761 -9.766 -1.510 1.00 0.00 C ATOM 1125 CZ PHE A 62 15.873 -9.121 -0.268 1.00 0.00 C ATOM 0 H PHE A 62 10.832 -7.342 -1.248 1.00 0.00 H new ATOM 0 HA PHE A 62 12.933 -6.484 -2.936 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.486 -9.043 -2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.532 -9.000 -3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 62 12.865 -7.526 -0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 62 14.518 -10.112 -3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.894 -7.845 1.169 1.00 0.00 H new ATOM 0 HE2 PHE A 62 16.566 -10.391 -1.867 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.769 -9.239 0.324 1.00 0.00 H new ATOM 1135 N LEU A 63 10.055 -7.169 -4.442 1.00 0.00 N ATOM 1136 CA LEU A 63 9.317 -6.987 -5.687 1.00 0.00 C ATOM 1137 C LEU A 63 9.287 -5.509 -6.105 1.00 0.00 C ATOM 1138 O LEU A 63 9.458 -5.182 -7.286 1.00 0.00 O ATOM 1139 CB LEU A 63 7.897 -7.565 -5.543 1.00 0.00 C ATOM 1140 CG LEU A 63 7.351 -8.015 -6.910 1.00 0.00 C ATOM 1141 CD1 LEU A 63 7.866 -9.417 -7.262 1.00 0.00 C ATOM 1142 CD2 LEU A 63 5.823 -8.037 -6.926 1.00 0.00 C ATOM 0 H LEU A 63 9.505 -7.589 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 63 9.830 -7.530 -6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.911 -8.411 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.235 -6.814 -5.111 1.00 0.00 H new ATOM 0 HG LEU A 63 7.703 -7.293 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.469 -9.718 -8.232 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.955 -9.405 -7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.540 -10.126 -6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.474 -8.359 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.461 -8.730 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.443 -7.037 -6.716 1.00 0.00 H new ATOM 1154 N ILE A 64 9.082 -4.610 -5.139 1.00 0.00 N ATOM 1155 CA ILE A 64 9.041 -3.177 -5.395 1.00 0.00 C ATOM 1156 C ILE A 64 10.454 -2.672 -5.696 1.00 0.00 C ATOM 1157 O ILE A 64 10.616 -1.973 -6.693 1.00 0.00 O ATOM 1158 CB ILE A 64 8.333 -2.431 -4.234 1.00 0.00 C ATOM 1159 CG1 ILE A 64 6.802 -2.371 -4.454 1.00 0.00 C ATOM 1160 CG2 ILE A 64 8.803 -0.970 -4.091 1.00 0.00 C ATOM 1161 CD1 ILE A 64 6.088 -3.717 -4.625 1.00 0.00 C ATOM 0 H ILE A 64 8.940 -4.860 -4.160 1.00 0.00 H new ATOM 0 HA ILE A 64 8.439 -2.967 -6.279 1.00 0.00 H new ATOM 0 HB ILE A 64 8.588 -2.998 -3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.355 -1.851 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.607 -1.765 -5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.274 -0.497 -3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.875 -0.950 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.592 -0.428 -5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.021 -3.547 -4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.495 -4.237 -5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.239 -4.325 -3.733 1.00 0.00 H new ATOM 1173 N ARG A 65 11.482 -3.018 -4.905 1.00 0.00 N ATOM 1174 CA ARG A 65 12.834 -2.522 -5.177 1.00 0.00 C ATOM 1175 C ARG A 65 13.298 -2.892 -6.582 1.00 0.00 C ATOM 1176 O ARG A 65 13.833 -2.034 -7.284 1.00 0.00 O ATOM 1177 CB ARG A 65 13.839 -2.866 -4.072 1.00 0.00 C ATOM 1178 CG ARG A 65 14.504 -4.239 -4.166 1.00 0.00 C ATOM 1179 CD ARG A 65 15.390 -4.409 -2.940 1.00 0.00 C ATOM 1180 NE ARG A 65 16.084 -5.696 -2.933 1.00 0.00 N ATOM 1181 CZ ARG A 65 17.138 -5.963 -2.157 1.00 0.00 C ATOM 1182 NH1 ARG A 65 17.539 -5.080 -1.250 1.00 0.00 N ATOM 1183 NH2 ARG A 65 17.797 -7.102 -2.305 1.00 0.00 N ATOM 0 H ARG A 65 11.404 -3.626 -4.090 1.00 0.00 H new ATOM 0 HA ARG A 65 12.783 -1.433 -5.157 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.621 -2.106 -4.072 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.328 -2.798 -3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 65 13.751 -5.026 -4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.095 -4.316 -5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 65 16.123 -3.603 -2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 65 14.782 -4.321 -2.040 1.00 0.00 H new ATOM 0 HE ARG A 65 15.745 -6.430 -3.555 1.00 0.00 H new ATOM 0 HH11 ARG A 65 17.042 -4.196 -1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 65 18.344 -5.286 -0.659 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.500 -7.775 -3.011 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.602 -7.306 -1.713 1.00 0.00 H new ATOM 1197 N LYS A 66 13.066 -4.136 -7.026 1.00 0.00 N ATOM 1198 CA LYS A 66 13.474 -4.517 -8.373 1.00 0.00 C ATOM 1199 C LYS A 66 12.635 -3.737 -9.388 1.00 0.00 C ATOM 1200 O LYS A 66 13.177 -3.266 -10.387 1.00 0.00 O ATOM 1201 CB LYS A 66 13.496 -6.045 -8.555 1.00 0.00 C ATOM 1202 CG LYS A 66 12.126 -6.711 -8.714 1.00 0.00 C ATOM 1203 CD LYS A 66 12.225 -8.232 -8.551 1.00 0.00 C ATOM 1204 CE LYS A 66 10.925 -8.936 -8.960 1.00 0.00 C ATOM 1205 NZ LYS A 66 10.745 -8.994 -10.423 1.00 0.00 N ATOM 0 H LYS A 66 12.611 -4.872 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 66 14.511 -4.234 -8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.099 -6.280 -9.432 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.998 -6.488 -7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.435 -6.308 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.716 -6.474 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.049 -8.609 -9.157 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.457 -8.472 -7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.923 -9.949 -8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.078 -8.414 -8.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.869 -9.509 -10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.685 -8.028 -10.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.554 -9.486 -10.853 1.00 0.00 H new ATOM 1219 N ARG A 67 11.333 -3.523 -9.130 1.00 0.00 N ATOM 1220 CA ARG A 67 10.475 -2.763 -10.043 1.00 0.00 C ATOM 1221 C ARG A 67 10.937 -1.308 -10.188 1.00 0.00 C ATOM 1222 O ARG A 67 10.773 -0.747 -11.265 1.00 0.00 O ATOM 1223 CB ARG A 67 9.011 -2.826 -9.569 1.00 0.00 C ATOM 1224 CG ARG A 67 8.007 -2.133 -10.505 1.00 0.00 C ATOM 1225 CD ARG A 67 7.929 -2.761 -11.901 1.00 0.00 C ATOM 1226 NE ARG A 67 7.349 -4.107 -11.834 1.00 0.00 N ATOM 1227 CZ ARG A 67 7.240 -4.972 -12.842 1.00 0.00 C ATOM 1228 NH1 ARG A 67 7.710 -4.694 -14.049 1.00 0.00 N ATOM 1229 NH2 ARG A 67 6.678 -6.155 -12.649 1.00 0.00 N ATOM 0 H ARG A 67 10.856 -3.867 -8.296 1.00 0.00 H new ATOM 0 HA ARG A 67 10.550 -3.222 -11.029 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.723 -3.871 -9.458 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.942 -2.370 -8.581 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.018 -2.162 -10.048 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.282 -1.083 -10.604 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.325 -2.132 -12.555 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.926 -2.811 -12.339 1.00 0.00 H new ATOM 0 HE ARG A 67 6.994 -4.410 -10.927 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.169 -3.800 -14.224 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.613 -5.374 -14.803 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.326 -6.408 -11.726 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.597 -6.814 -13.424 1.00 0.00 H new ATOM 1243 N ILE A 68 11.512 -0.688 -9.154 1.00 0.00 N ATOM 1244 CA ILE A 68 11.989 0.701 -9.215 1.00 0.00 C ATOM 1245 C ILE A 68 13.456 0.800 -9.668 1.00 0.00 C ATOM 1246 O ILE A 68 14.020 1.889 -9.698 1.00 0.00 O ATOM 1247 CB ILE A 68 11.633 1.493 -7.941 1.00 0.00 C ATOM 1248 CG1 ILE A 68 12.450 1.034 -6.726 1.00 0.00 C ATOM 1249 CG2 ILE A 68 10.115 1.420 -7.693 1.00 0.00 C ATOM 1250 CD1 ILE A 68 12.095 1.750 -5.420 1.00 0.00 C ATOM 0 H ILE A 68 11.661 -1.133 -8.249 1.00 0.00 H new ATOM 0 HA ILE A 68 11.439 1.208 -10.008 1.00 0.00 H new ATOM 0 HB ILE A 68 11.903 2.538 -8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 68 12.305 -0.038 -6.590 1.00 0.00 H new ATOM 0 HG13 ILE A 68 13.508 1.189 -6.935 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.866 1.981 -6.792 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.586 1.848 -8.544 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.817 0.379 -7.567 1.00 0.00 H new ATOM 0 HD11 ILE A 68 12.719 1.365 -4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.267 2.820 -5.533 1.00 0.00 H new ATOM 0 HD13 ILE A 68 11.046 1.575 -5.183 1.00 0.00 H new ATOM 1262 N HIS A 69 14.060 -0.332 -10.033 1.00 0.00 N ATOM 1263 CA HIS A 69 15.414 -0.491 -10.548 1.00 0.00 C ATOM 1264 C HIS A 69 16.536 0.168 -9.731 1.00 0.00 C ATOM 1265 O HIS A 69 17.303 0.990 -10.240 1.00 0.00 O ATOM 1266 CB HIS A 69 15.410 -0.040 -12.021 1.00 0.00 C ATOM 1267 CG HIS A 69 14.169 -0.420 -12.800 1.00 0.00 C ATOM 1268 ND1 HIS A 69 13.571 -1.661 -12.837 1.00 0.00 N ATOM 1269 CD2 HIS A 69 13.410 0.431 -13.557 1.00 0.00 C ATOM 1270 CE1 HIS A 69 12.493 -1.567 -13.630 1.00 0.00 C ATOM 1271 NE2 HIS A 69 12.353 -0.312 -14.097 1.00 0.00 N ATOM 0 H HIS A 69 13.575 -1.227 -9.970 1.00 0.00 H new ATOM 0 HA HIS A 69 15.670 -1.547 -10.458 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.525 1.043 -12.054 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.280 -0.468 -12.519 1.00 0.00 H new ATOM 0 HD1 HIS A 69 13.890 -2.499 -12.350 1.00 0.00 H new ATOM 0 HD2 HIS A 69 13.593 1.484 -13.710 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.828 -2.386 -13.862 1.00 0.00 H new ATOM 1279 N LEU A 70 16.689 -0.215 -8.464 1.00 0.00 N ATOM 1280 CA LEU A 70 17.737 0.339 -7.601 1.00 0.00 C ATOM 1281 C LEU A 70 19.137 -0.211 -7.921 1.00 0.00 C ATOM 1282 O LEU A 70 19.285 -1.255 -8.574 1.00 0.00 O ATOM 1283 CB LEU A 70 17.437 0.061 -6.127 1.00 0.00 C ATOM 1284 CG LEU A 70 16.119 0.621 -5.576 1.00 0.00 C ATOM 1285 CD1 LEU A 70 16.083 0.405 -4.063 1.00 0.00 C ATOM 1286 CD2 LEU A 70 15.941 2.118 -5.866 1.00 0.00 C ATOM 0 H LEU A 70 16.098 -0.910 -8.008 1.00 0.00 H new ATOM 0 HA LEU A 70 17.738 1.411 -7.796 1.00 0.00 H new ATOM 0 HB2 LEU A 70 17.437 -1.019 -5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 70 18.255 0.466 -5.531 1.00 0.00 H new ATOM 0 HG LEU A 70 15.307 0.092 -6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.150 0.800 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 70 16.149 -0.661 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.924 0.922 -3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.991 2.458 -5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.757 2.677 -5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.948 2.283 -6.943 1.00 0.00 H new ATOM 1298 N ARG A 71 20.162 0.557 -7.548 1.00 0.00 N ATOM 1299 CA ARG A 71 21.596 0.249 -7.677 1.00 0.00 C ATOM 1300 C ARG A 71 21.917 -0.802 -6.596 1.00 0.00 C ATOM 1301 O ARG A 71 21.087 -1.003 -5.707 1.00 0.00 O ATOM 1302 CB ARG A 71 22.450 1.513 -7.418 1.00 0.00 C ATOM 1303 CG ARG A 71 22.348 2.618 -8.477 1.00 0.00 C ATOM 1304 CD ARG A 71 23.380 3.721 -8.194 1.00 0.00 C ATOM 1305 NE ARG A 71 23.421 4.729 -9.267 1.00 0.00 N ATOM 1306 CZ ARG A 71 23.255 6.056 -9.170 1.00 0.00 C ATOM 1307 NH1 ARG A 71 23.017 6.672 -8.013 1.00 0.00 N ATOM 1308 NH2 ARG A 71 23.306 6.766 -10.288 1.00 0.00 N ATOM 0 H ARG A 71 20.008 1.470 -7.120 1.00 0.00 H new ATOM 0 HA ARG A 71 21.820 -0.112 -8.681 1.00 0.00 H new ATOM 0 HB2 ARG A 71 22.161 1.932 -6.454 1.00 0.00 H new ATOM 0 HB3 ARG A 71 23.494 1.212 -7.334 1.00 0.00 H new ATOM 0 HG2 ARG A 71 22.516 2.198 -9.469 1.00 0.00 H new ATOM 0 HG3 ARG A 71 21.343 3.041 -8.476 1.00 0.00 H new ATOM 0 HD2 ARG A 71 23.140 4.208 -7.249 1.00 0.00 H new ATOM 0 HD3 ARG A 71 24.367 3.273 -8.080 1.00 0.00 H new ATOM 0 HE ARG A 71 23.599 4.371 -10.206 1.00 0.00 H new ATOM 0 HH11 ARG A 71 22.954 6.131 -7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 71 22.898 7.685 -7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 71 23.467 6.300 -11.181 1.00 0.00 H new ATOM 0 HH22 ARG A 71 23.184 7.778 -10.255 1.00 0.00 H new ATOM 1322 N PRO A 72 23.063 -1.504 -6.617 1.00 0.00 N ATOM 1323 CA PRO A 72 23.340 -2.476 -5.567 1.00 0.00 C ATOM 1324 C PRO A 72 23.496 -1.749 -4.219 1.00 0.00 C ATOM 1325 O PRO A 72 22.895 -2.174 -3.233 1.00 0.00 O ATOM 1326 CB PRO A 72 24.581 -3.250 -6.013 1.00 0.00 C ATOM 1327 CG PRO A 72 25.269 -2.321 -7.011 1.00 0.00 C ATOM 1328 CD PRO A 72 24.160 -1.433 -7.570 1.00 0.00 C ATOM 0 HA PRO A 72 22.528 -3.187 -5.414 1.00 0.00 H new ATOM 0 HB2 PRO A 72 25.232 -3.478 -5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 72 24.312 -4.200 -6.475 1.00 0.00 H new ATOM 0 HG2 PRO A 72 26.042 -1.725 -6.525 1.00 0.00 H new ATOM 0 HG3 PRO A 72 25.756 -2.888 -7.805 1.00 0.00 H new ATOM 0 HD2 PRO A 72 24.506 -0.406 -7.689 1.00 0.00 H new ATOM 0 HD3 PRO A 72 23.844 -1.779 -8.554 1.00 0.00 H new ATOM 1336 N GLU A 73 24.226 -0.626 -4.192 1.00 0.00 N ATOM 1337 CA GLU A 73 24.466 0.185 -2.997 1.00 0.00 C ATOM 1338 C GLU A 73 23.217 0.933 -2.513 1.00 0.00 C ATOM 1339 O GLU A 73 23.201 1.371 -1.362 1.00 0.00 O ATOM 1340 CB GLU A 73 25.598 1.196 -3.274 1.00 0.00 C ATOM 1341 CG GLU A 73 26.971 0.695 -2.815 1.00 0.00 C ATOM 1342 CD GLU A 73 27.303 -0.679 -3.392 1.00 0.00 C ATOM 1343 OE1 GLU A 73 27.481 -0.787 -4.628 1.00 0.00 O ATOM 1344 OE2 GLU A 73 27.384 -1.648 -2.608 1.00 0.00 O ATOM 0 H GLU A 73 24.677 -0.249 -5.025 1.00 0.00 H new ATOM 0 HA GLU A 73 24.752 -0.503 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 73 25.634 1.410 -4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 73 25.372 2.135 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 73 27.737 1.409 -3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.993 0.646 -1.726 1.00 0.00 H new ATOM 1351 N ASP A 74 22.202 1.118 -3.364 1.00 0.00 N ATOM 1352 CA ASP A 74 20.970 1.811 -2.977 1.00 0.00 C ATOM 1353 C ASP A 74 20.262 0.962 -1.925 1.00 0.00 C ATOM 1354 O ASP A 74 20.329 -0.275 -1.968 1.00 0.00 O ATOM 1355 CB ASP A 74 19.992 1.947 -4.156 1.00 0.00 C ATOM 1356 CG ASP A 74 20.197 3.087 -5.150 1.00 0.00 C ATOM 1357 OD1 ASP A 74 20.911 4.071 -4.844 1.00 0.00 O ATOM 1358 OD2 ASP A 74 19.630 2.991 -6.265 1.00 0.00 O ATOM 0 H ASP A 74 22.211 0.795 -4.331 1.00 0.00 H new ATOM 0 HA ASP A 74 21.243 2.803 -2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.017 1.012 -4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.988 2.045 -3.743 1.00 0.00 H new ATOM 1363 N ALA A 75 19.534 1.610 -1.019 1.00 0.00 N ATOM 1364 CA ALA A 75 18.791 0.948 0.040 1.00 0.00 C ATOM 1365 C ALA A 75 17.303 1.264 -0.128 1.00 0.00 C ATOM 1366 O ALA A 75 16.905 1.989 -1.040 1.00 0.00 O ATOM 1367 CB ALA A 75 19.365 1.370 1.395 1.00 0.00 C ATOM 0 H ALA A 75 19.445 2.626 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 75 18.890 -0.136 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 75 18.812 0.877 2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 75 20.415 1.084 1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.277 2.451 1.507 1.00 0.00 H new ATOM 1373 N LEU A 76 16.452 0.602 0.657 1.00 0.00 N ATOM 1374 CA LEU A 76 15.009 0.807 0.623 1.00 0.00 C ATOM 1375 C LEU A 76 14.442 0.292 1.937 1.00 0.00 C ATOM 1376 O LEU A 76 14.761 -0.835 2.335 1.00 0.00 O ATOM 1377 CB LEU A 76 14.366 0.082 -0.577 1.00 0.00 C ATOM 1378 CG LEU A 76 13.034 0.707 -1.036 1.00 0.00 C ATOM 1379 CD1 LEU A 76 13.222 2.123 -1.595 1.00 0.00 C ATOM 1380 CD2 LEU A 76 12.420 -0.157 -2.142 1.00 0.00 C ATOM 0 H LEU A 76 16.750 -0.096 1.338 1.00 0.00 H new ATOM 0 HA LEU A 76 14.786 1.867 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 76 15.067 0.088 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 76 14.195 -0.961 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 76 12.385 0.758 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.257 2.523 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.649 2.765 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.894 2.089 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.478 0.284 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.107 -0.209 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.238 -1.161 -1.760 1.00 0.00 H new ATOM 1392 N PHE A 77 13.591 1.082 2.580 1.00 0.00 N ATOM 1393 CA PHE A 77 12.944 0.790 3.850 1.00 0.00 C ATOM 1394 C PHE A 77 11.459 1.082 3.691 1.00 0.00 C ATOM 1395 O PHE A 77 11.084 2.004 2.962 1.00 0.00 O ATOM 1396 CB PHE A 77 13.574 1.645 4.962 1.00 0.00 C ATOM 1397 CG PHE A 77 15.077 1.470 5.053 1.00 0.00 C ATOM 1398 CD1 PHE A 77 15.916 2.222 4.210 1.00 0.00 C ATOM 1399 CD2 PHE A 77 15.632 0.483 5.888 1.00 0.00 C ATOM 1400 CE1 PHE A 77 17.291 1.954 4.162 1.00 0.00 C ATOM 1401 CE2 PHE A 77 17.014 0.232 5.856 1.00 0.00 C ATOM 1402 CZ PHE A 77 17.845 0.961 4.987 1.00 0.00 C ATOM 0 H PHE A 77 13.320 1.992 2.208 1.00 0.00 H new ATOM 0 HA PHE A 77 13.078 -0.255 4.130 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.345 2.695 4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.123 1.380 5.918 1.00 0.00 H new ATOM 0 HD1 PHE A 77 15.499 3.008 3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 77 14.996 -0.082 6.553 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.926 2.512 3.490 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.439 -0.523 6.501 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.905 0.758 4.954 1.00 0.00 H new ATOM 1412 N PHE A 78 10.607 0.349 4.403 1.00 0.00 N ATOM 1413 CA PHE A 78 9.158 0.504 4.335 1.00 0.00 C ATOM 1414 C PHE A 78 8.576 0.600 5.732 1.00 0.00 C ATOM 1415 O PHE A 78 9.058 -0.073 6.647 1.00 0.00 O ATOM 1416 CB PHE A 78 8.542 -0.709 3.637 1.00 0.00 C ATOM 1417 CG PHE A 78 8.916 -0.883 2.178 1.00 0.00 C ATOM 1418 CD1 PHE A 78 10.190 -1.365 1.822 1.00 0.00 C ATOM 1419 CD2 PHE A 78 7.968 -0.616 1.173 1.00 0.00 C ATOM 1420 CE1 PHE A 78 10.520 -1.558 0.473 1.00 0.00 C ATOM 1421 CE2 PHE A 78 8.295 -0.819 -0.180 1.00 0.00 C ATOM 1422 CZ PHE A 78 9.571 -1.292 -0.527 1.00 0.00 C ATOM 0 H PHE A 78 10.908 -0.378 5.051 1.00 0.00 H new ATOM 0 HA PHE A 78 8.933 1.414 3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 78 8.838 -1.607 4.179 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.457 -0.636 3.709 1.00 0.00 H new ATOM 0 HD1 PHE A 78 10.916 -1.587 2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.986 -0.254 1.441 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.504 -1.911 0.203 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.567 -0.612 -0.950 1.00 0.00 H new ATOM 0 HZ PHE A 78 9.823 -1.451 -1.565 1.00 0.00 H new ATOM 1432 N PHE A 79 7.511 1.379 5.884 1.00 0.00 N ATOM 1433 CA PHE A 79 6.834 1.576 7.155 1.00 0.00 C ATOM 1434 C PHE A 79 5.343 1.314 6.976 1.00 0.00 C ATOM 1435 O PHE A 79 4.818 1.362 5.855 1.00 0.00 O ATOM 1436 CB PHE A 79 7.075 3.006 7.661 1.00 0.00 C ATOM 1437 CG PHE A 79 8.508 3.516 7.615 1.00 0.00 C ATOM 1438 CD1 PHE A 79 9.580 2.702 8.027 1.00 0.00 C ATOM 1439 CD2 PHE A 79 8.774 4.820 7.156 1.00 0.00 C ATOM 1440 CE1 PHE A 79 10.903 3.163 7.927 1.00 0.00 C ATOM 1441 CE2 PHE A 79 10.097 5.290 7.074 1.00 0.00 C ATOM 1442 CZ PHE A 79 11.165 4.455 7.443 1.00 0.00 C ATOM 0 H PHE A 79 7.089 1.898 5.114 1.00 0.00 H new ATOM 0 HA PHE A 79 7.231 0.880 7.894 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.454 3.683 7.075 1.00 0.00 H new ATOM 0 HB3 PHE A 79 6.726 3.065 8.692 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.384 1.716 8.423 1.00 0.00 H new ATOM 0 HD2 PHE A 79 7.957 5.464 6.865 1.00 0.00 H new ATOM 0 HE1 PHE A 79 11.721 2.522 8.223 1.00 0.00 H new ATOM 0 HE2 PHE A 79 10.292 6.294 6.727 1.00 0.00 H new ATOM 0 HZ PHE A 79 12.183 4.805 7.355 1.00 0.00 H new ATOM 1452 N VAL A 80 4.681 0.958 8.074 1.00 0.00 N ATOM 1453 CA VAL A 80 3.253 0.693 8.126 1.00 0.00 C ATOM 1454 C VAL A 80 2.776 1.216 9.477 1.00 0.00 C ATOM 1455 O VAL A 80 3.393 0.907 10.501 1.00 0.00 O ATOM 1456 CB VAL A 80 2.928 -0.794 7.878 1.00 0.00 C ATOM 1457 CG1 VAL A 80 3.599 -1.773 8.850 1.00 0.00 C ATOM 1458 CG2 VAL A 80 1.412 -1.005 7.871 1.00 0.00 C ATOM 0 H VAL A 80 5.141 0.844 8.977 1.00 0.00 H new ATOM 0 HA VAL A 80 2.719 1.204 7.324 1.00 0.00 H new ATOM 0 HB VAL A 80 3.351 -1.027 6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.311 -2.793 8.596 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.682 -1.673 8.777 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.282 -1.549 9.869 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.192 -2.058 7.695 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.998 -0.704 8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.965 -0.404 7.079 1.00 0.00 H new ATOM 1468 N ASN A 81 1.698 2.006 9.472 1.00 0.00 N ATOM 1469 CA ASN A 81 1.081 2.614 10.649 1.00 0.00 C ATOM 1470 C ASN A 81 2.136 3.057 11.681 1.00 0.00 C ATOM 1471 O ASN A 81 2.234 2.539 12.792 1.00 0.00 O ATOM 1472 CB ASN A 81 -0.046 1.711 11.169 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.572 2.151 12.530 1.00 0.00 C ATOM 1474 OD1 ASN A 81 -1.107 3.249 12.660 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -0.477 1.304 13.541 1.00 0.00 N ATOM 0 H ASN A 81 1.212 2.248 8.608 1.00 0.00 H new ATOM 0 HA ASN A 81 0.593 3.552 10.383 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.866 1.710 10.450 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.318 0.686 11.239 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.853 1.557 14.455 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.028 0.398 13.407 1.00 0.00 H new ATOM 1482 N ASN A 82 2.982 3.998 11.247 1.00 0.00 N ATOM 1483 CA ASN A 82 4.063 4.645 11.995 1.00 0.00 C ATOM 1484 C ASN A 82 4.938 3.689 12.812 1.00 0.00 C ATOM 1485 O ASN A 82 5.396 4.053 13.901 1.00 0.00 O ATOM 1486 CB ASN A 82 3.481 5.814 12.813 1.00 0.00 C ATOM 1487 CG ASN A 82 2.812 6.860 11.923 1.00 0.00 C ATOM 1488 OD1 ASN A 82 1.774 6.611 11.316 1.00 0.00 O ATOM 1489 ND2 ASN A 82 3.391 8.035 11.757 1.00 0.00 N ATOM 0 H ASN A 82 2.924 4.353 10.292 1.00 0.00 H new ATOM 0 HA ASN A 82 4.774 5.046 11.272 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.754 5.429 13.529 1.00 0.00 H new ATOM 0 HB3 ASN A 82 4.277 6.285 13.389 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.976 8.724 11.130 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.253 8.254 12.256 1.00 0.00 H new ATOM 1496 N THR A 83 5.188 2.475 12.309 1.00 0.00 N ATOM 1497 CA THR A 83 5.995 1.447 12.962 1.00 0.00 C ATOM 1498 C THR A 83 6.874 0.742 11.907 1.00 0.00 C ATOM 1499 O THR A 83 6.528 0.724 10.719 1.00 0.00 O ATOM 1500 CB THR A 83 5.072 0.498 13.757 1.00 0.00 C ATOM 1501 OG1 THR A 83 4.048 1.197 14.450 1.00 0.00 O ATOM 1502 CG2 THR A 83 5.849 -0.242 14.848 1.00 0.00 C ATOM 0 H THR A 83 4.820 2.175 11.406 1.00 0.00 H new ATOM 0 HA THR A 83 6.681 1.881 13.689 1.00 0.00 H new ATOM 0 HB THR A 83 4.654 -0.179 13.012 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.405 1.559 13.805 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.173 -0.903 15.391 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.644 -0.831 14.392 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.283 0.480 15.539 1.00 0.00 H new ATOM 1510 N ILE A 84 8.017 0.176 12.326 1.00 0.00 N ATOM 1511 CA ILE A 84 8.997 -0.514 11.479 1.00 0.00 C ATOM 1512 C ILE A 84 9.044 -2.015 11.864 1.00 0.00 C ATOM 1513 O ILE A 84 9.817 -2.408 12.744 1.00 0.00 O ATOM 1514 CB ILE A 84 10.380 0.182 11.576 1.00 0.00 C ATOM 1515 CG1 ILE A 84 10.300 1.727 11.648 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.231 -0.235 10.362 1.00 0.00 C ATOM 1517 CD1 ILE A 84 11.648 2.380 11.937 1.00 0.00 C ATOM 0 H ILE A 84 8.293 0.189 13.308 1.00 0.00 H new ATOM 0 HA ILE A 84 8.698 -0.456 10.433 1.00 0.00 H new ATOM 0 HB ILE A 84 10.835 -0.142 12.512 1.00 0.00 H new ATOM 0 HG12 ILE A 84 9.912 2.110 10.704 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.590 2.013 12.424 1.00 0.00 H new ATOM 0 HG21 ILE A 84 12.207 0.248 10.418 1.00 0.00 H new ATOM 0 HG22 ILE A 84 11.361 -1.317 10.363 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.728 0.069 9.444 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.527 3.463 11.975 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.027 2.023 12.895 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.354 2.121 11.148 1.00 0.00 H new ATOM 1529 N PRO A 85 8.227 -2.878 11.238 1.00 0.00 N ATOM 1530 CA PRO A 85 8.166 -4.314 11.540 1.00 0.00 C ATOM 1531 C PRO A 85 9.303 -5.168 10.930 1.00 0.00 C ATOM 1532 O PRO A 85 10.015 -4.692 10.038 1.00 0.00 O ATOM 1533 CB PRO A 85 6.818 -4.734 10.962 1.00 0.00 C ATOM 1534 CG PRO A 85 6.609 -3.812 9.770 1.00 0.00 C ATOM 1535 CD PRO A 85 7.280 -2.519 10.193 1.00 0.00 C ATOM 0 HA PRO A 85 8.283 -4.479 12.611 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.826 -5.781 10.657 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.020 -4.621 11.695 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.060 -4.219 8.865 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.550 -3.663 9.560 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.789 -2.050 9.351 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.547 -1.802 10.562 1.00 0.00 H new ATOM 1543 N PRO A 86 9.459 -6.450 11.334 1.00 0.00 N ATOM 1544 CA PRO A 86 10.488 -7.364 10.824 1.00 0.00 C ATOM 1545 C PRO A 86 10.151 -7.905 9.436 1.00 0.00 C ATOM 1546 O PRO A 86 8.981 -7.983 9.067 1.00 0.00 O ATOM 1547 CB PRO A 86 10.509 -8.541 11.795 1.00 0.00 C ATOM 1548 CG PRO A 86 9.086 -8.588 12.341 1.00 0.00 C ATOM 1549 CD PRO A 86 8.685 -7.117 12.374 1.00 0.00 C ATOM 0 HA PRO A 86 11.439 -6.837 10.745 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.775 -9.470 11.291 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.238 -8.390 12.591 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.426 -9.172 11.700 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.048 -9.039 13.332 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.616 -7.003 12.194 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.892 -6.681 13.351 1.00 0.00 H new ATOM 1557 N THR A 87 11.145 -8.380 8.685 1.00 0.00 N ATOM 1558 CA THR A 87 10.936 -8.915 7.340 1.00 0.00 C ATOM 1559 C THR A 87 10.168 -10.259 7.315 1.00 0.00 C ATOM 1560 O THR A 87 9.637 -10.642 6.269 1.00 0.00 O ATOM 1561 CB THR A 87 12.278 -8.889 6.589 1.00 0.00 C ATOM 1562 OG1 THR A 87 12.121 -8.563 5.232 1.00 0.00 O ATOM 1563 CG2 THR A 87 13.124 -10.151 6.741 1.00 0.00 C ATOM 0 H THR A 87 12.117 -8.405 8.992 1.00 0.00 H new ATOM 0 HA THR A 87 10.248 -8.272 6.790 1.00 0.00 H new ATOM 0 HB THR A 87 12.838 -8.094 7.081 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.997 -8.556 4.794 1.00 0.00 H new ATOM 0 HG21 THR A 87 14.050 -10.039 6.177 1.00 0.00 H new ATOM 0 HG22 THR A 87 13.358 -10.308 7.794 1.00 0.00 H new ATOM 0 HG23 THR A 87 12.569 -11.009 6.361 1.00 0.00 H new ATOM 1571 N SER A 88 10.083 -10.981 8.445 1.00 0.00 N ATOM 1572 CA SER A 88 9.370 -12.259 8.545 1.00 0.00 C ATOM 1573 C SER A 88 7.862 -12.091 8.734 1.00 0.00 C ATOM 1574 O SER A 88 7.135 -13.078 8.585 1.00 0.00 O ATOM 1575 CB SER A 88 9.902 -13.081 9.724 1.00 0.00 C ATOM 1576 OG SER A 88 11.245 -13.444 9.499 1.00 0.00 O ATOM 0 H SER A 88 10.513 -10.688 9.322 1.00 0.00 H new ATOM 0 HA SER A 88 9.546 -12.770 7.598 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.824 -12.503 10.645 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.293 -13.976 9.857 1.00 0.00 H new ATOM 0 HG SER A 88 11.574 -13.967 10.259 1.00 0.00 H new ATOM 1582 N ALA A 89 7.384 -10.900 9.119 1.00 0.00 N ATOM 1583 CA ALA A 89 5.952 -10.689 9.297 1.00 0.00 C ATOM 1584 C ALA A 89 5.211 -10.876 7.964 1.00 0.00 C ATOM 1585 O ALA A 89 5.820 -10.889 6.891 1.00 0.00 O ATOM 1586 CB ALA A 89 5.715 -9.293 9.870 1.00 0.00 C ATOM 0 H ALA A 89 7.963 -10.082 9.309 1.00 0.00 H new ATOM 0 HA ALA A 89 5.560 -11.427 9.997 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.645 -9.132 10.004 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.219 -9.204 10.832 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.111 -8.546 9.183 1.00 0.00 H new ATOM 1592 N THR A 90 3.889 -10.984 8.011 1.00 0.00 N ATOM 1593 CA THR A 90 3.046 -11.159 6.836 1.00 0.00 C ATOM 1594 C THR A 90 1.995 -10.051 6.847 1.00 0.00 C ATOM 1595 O THR A 90 1.693 -9.464 7.894 1.00 0.00 O ATOM 1596 CB THR A 90 2.431 -12.580 6.851 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.782 -12.797 8.092 1.00 0.00 O ATOM 1598 CG2 THR A 90 3.503 -13.658 6.654 1.00 0.00 C ATOM 0 H THR A 90 3.363 -10.952 8.884 1.00 0.00 H new ATOM 0 HA THR A 90 3.616 -11.078 5.910 1.00 0.00 H new ATOM 0 HB THR A 90 1.719 -12.648 6.029 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.390 -13.695 8.104 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.036 -14.643 6.670 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.999 -13.507 5.695 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.237 -13.592 7.457 1.00 0.00 H new ATOM 1606 N MET A 91 1.487 -9.715 5.663 1.00 0.00 N ATOM 1607 CA MET A 91 0.441 -8.721 5.478 1.00 0.00 C ATOM 1608 C MET A 91 -0.776 -9.163 6.289 1.00 0.00 C ATOM 1609 O MET A 91 -1.449 -8.309 6.839 1.00 0.00 O ATOM 1610 CB MET A 91 0.080 -8.509 3.995 1.00 0.00 C ATOM 1611 CG MET A 91 1.293 -8.040 3.187 1.00 0.00 C ATOM 1612 SD MET A 91 2.067 -6.501 3.756 1.00 0.00 S ATOM 1613 CE MET A 91 1.050 -5.290 2.893 1.00 0.00 C ATOM 0 H MET A 91 1.800 -10.137 4.789 1.00 0.00 H new ATOM 0 HA MET A 91 0.802 -7.755 5.830 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.301 -9.440 3.575 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.719 -7.772 3.915 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.044 -8.830 3.201 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.987 -7.910 2.149 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.985 -4.379 3.488 1.00 0.00 H new ATOM 0 HE2 MET A 91 1.499 -5.061 1.926 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.050 -5.696 2.742 1.00 0.00 H new ATOM 1623 N GLY A 92 -1.023 -10.471 6.429 1.00 0.00 N ATOM 1624 CA GLY A 92 -2.138 -11.007 7.192 1.00 0.00 C ATOM 1625 C GLY A 92 -2.051 -10.611 8.669 1.00 0.00 C ATOM 1626 O GLY A 92 -3.039 -10.135 9.230 1.00 0.00 O ATOM 0 H GLY A 92 -0.439 -11.192 6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.076 -10.644 6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.150 -12.094 7.106 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.878 -10.793 9.294 1.00 0.00 N ATOM 1631 CA GLN A 93 -0.665 -10.469 10.703 1.00 0.00 C ATOM 1632 C GLN A 93 -0.857 -8.976 10.974 1.00 0.00 C ATOM 1633 O GLN A 93 -1.580 -8.592 11.897 1.00 0.00 O ATOM 1634 CB GLN A 93 0.771 -10.857 11.103 1.00 0.00 C ATOM 1635 CG GLN A 93 1.005 -12.348 11.375 1.00 0.00 C ATOM 1636 CD GLN A 93 1.069 -12.640 12.875 1.00 0.00 C ATOM 1637 OE1 GLN A 93 1.932 -12.126 13.587 1.00 0.00 O ATOM 1638 NE2 GLN A 93 0.179 -13.453 13.415 1.00 0.00 N ATOM 0 H GLN A 93 -0.051 -11.170 8.831 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.397 -11.026 11.287 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.448 -10.541 10.309 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.044 -10.296 11.997 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.203 -12.932 10.923 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.935 -12.664 10.902 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.539 -13.883 12.832 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.210 -13.651 14.415 1.00 0.00 H new ATOM 1647 N LEU A 94 -0.180 -8.129 10.194 1.00 0.00 N ATOM 1648 CA LEU A 94 -0.270 -6.683 10.371 1.00 0.00 C ATOM 1649 C LEU A 94 -1.649 -6.148 10.003 1.00 0.00 C ATOM 1650 O LEU A 94 -2.111 -5.247 10.683 1.00 0.00 O ATOM 1651 CB LEU A 94 0.873 -5.953 9.648 1.00 0.00 C ATOM 1652 CG LEU A 94 0.830 -6.111 8.124 1.00 0.00 C ATOM 1653 CD1 LEU A 94 0.085 -4.989 7.410 1.00 0.00 C ATOM 1654 CD2 LEU A 94 2.247 -6.159 7.567 1.00 0.00 C ATOM 0 H LEU A 94 0.435 -8.422 9.435 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.143 -6.473 11.433 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.832 -4.893 9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.826 -6.330 10.018 1.00 0.00 H new ATOM 0 HG LEU A 94 0.290 -7.040 7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.097 -5.170 6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.946 -4.956 7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.571 -4.037 7.623 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.208 -6.271 6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.768 -5.235 7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.780 -7.005 8.001 1.00 0.00 H new ATOM 1666 N TYR A 95 -2.326 -6.682 8.981 1.00 0.00 N ATOM 1667 CA TYR A 95 -3.653 -6.210 8.593 1.00 0.00 C ATOM 1668 C TYR A 95 -4.619 -6.457 9.749 1.00 0.00 C ATOM 1669 O TYR A 95 -5.392 -5.562 10.087 1.00 0.00 O ATOM 1670 CB TYR A 95 -4.086 -6.881 7.282 1.00 0.00 C ATOM 1671 CG TYR A 95 -5.574 -6.970 6.995 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -6.414 -5.841 7.061 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -6.121 -8.225 6.668 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -7.798 -5.973 6.841 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -7.499 -8.366 6.461 1.00 0.00 C ATOM 1676 CZ TYR A 95 -8.347 -7.247 6.576 1.00 0.00 C ATOM 1677 OH TYR A 95 -9.693 -7.428 6.511 1.00 0.00 O ATOM 0 H TYR A 95 -1.971 -7.446 8.406 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.645 -5.138 8.397 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.617 -6.343 6.458 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.681 -7.893 7.273 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.994 -4.870 7.281 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.474 -9.085 6.576 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.438 -5.103 6.875 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.912 -9.333 6.213 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.888 -8.369 6.319 1.00 0.00 H new ATOM 1687 N GLU A 96 -4.559 -7.639 10.376 1.00 0.00 N ATOM 1688 CA GLU A 96 -5.440 -7.937 11.497 1.00 0.00 C ATOM 1689 C GLU A 96 -5.067 -7.094 12.729 1.00 0.00 C ATOM 1690 O GLU A 96 -5.948 -6.727 13.506 1.00 0.00 O ATOM 1691 CB GLU A 96 -5.416 -9.435 11.825 1.00 0.00 C ATOM 1692 CG GLU A 96 -6.738 -9.879 12.476 1.00 0.00 C ATOM 1693 CD GLU A 96 -7.610 -10.655 11.483 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -7.448 -11.899 11.424 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -8.442 -10.061 10.758 1.00 0.00 O ATOM 0 H GLU A 96 -3.917 -8.391 10.126 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.457 -7.673 11.208 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.245 -10.008 10.913 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.585 -9.650 12.497 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.527 -10.503 13.344 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.281 -9.005 12.836 1.00 0.00 H new ATOM 1702 N ASP A 97 -3.785 -6.761 12.935 1.00 0.00 N ATOM 1703 CA ASP A 97 -3.385 -5.947 14.093 1.00 0.00 C ATOM 1704 C ASP A 97 -3.696 -4.458 13.895 1.00 0.00 C ATOM 1705 O ASP A 97 -4.224 -3.805 14.794 1.00 0.00 O ATOM 1706 CB ASP A 97 -1.906 -6.116 14.434 1.00 0.00 C ATOM 1707 CG ASP A 97 -1.624 -5.456 15.789 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -1.288 -4.252 15.829 1.00 0.00 O ATOM 1709 OD2 ASP A 97 -1.718 -6.165 16.819 1.00 0.00 O ATOM 0 H ASP A 97 -3.016 -7.038 12.325 1.00 0.00 H new ATOM 0 HA ASP A 97 -3.980 -6.317 14.928 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -1.647 -7.174 14.470 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -1.287 -5.663 13.659 1.00 0.00 H new ATOM 1714 N ASN A 98 -3.488 -3.943 12.680 1.00 0.00 N ATOM 1715 CA ASN A 98 -3.700 -2.546 12.290 1.00 0.00 C ATOM 1716 C ASN A 98 -5.150 -2.300 11.857 1.00 0.00 C ATOM 1717 O ASN A 98 -5.475 -1.154 11.534 1.00 0.00 O ATOM 1718 CB ASN A 98 -2.829 -2.189 11.066 1.00 0.00 C ATOM 1719 CG ASN A 98 -1.335 -2.111 11.326 1.00 0.00 C ATOM 1720 OD1 ASN A 98 -0.923 -1.418 12.375 1.00 0.00 O flip ATOM 1721 ND2 ASN A 98 -0.522 -2.635 10.578 1.00 0.00 N flip ATOM 0 H ASN A 98 -3.152 -4.515 11.905 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.445 -1.942 13.161 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -3.006 -2.931 10.287 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -3.162 -1.229 10.673 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.842 -3.169 9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.477 -2.538 10.762 1.00 0.00 H new ATOM 1728 N HIS A 99 -5.987 -3.347 11.892 1.00 0.00 N ATOM 1729 CA HIS A 99 -7.395 -3.383 11.531 1.00 0.00 C ATOM 1730 C HIS A 99 -8.100 -2.067 11.845 1.00 0.00 C ATOM 1731 O HIS A 99 -8.105 -1.593 12.982 1.00 0.00 O ATOM 1732 CB HIS A 99 -8.080 -4.588 12.195 1.00 0.00 C ATOM 1733 CG HIS A 99 -8.223 -4.504 13.700 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -7.275 -4.108 14.624 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -9.380 -4.748 14.382 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -7.861 -4.085 15.830 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -9.153 -4.455 15.736 1.00 0.00 N ATOM 0 H HIS A 99 -5.660 -4.263 12.201 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.469 -3.509 10.451 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.072 -4.707 11.759 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.514 -5.487 11.950 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -6.302 -3.875 14.424 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -10.306 -5.104 13.955 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.366 -3.808 16.749 1.00 0.00 H new ATOM 1745 N GLU A 100 -8.718 -1.487 10.829 1.00 0.00 N ATOM 1746 CA GLU A 100 -9.424 -0.223 10.894 1.00 0.00 C ATOM 1747 C GLU A 100 -10.856 -0.449 10.418 1.00 0.00 C ATOM 1748 O GLU A 100 -11.173 -1.509 9.863 1.00 0.00 O ATOM 1749 CB GLU A 100 -8.637 0.762 10.007 1.00 0.00 C ATOM 1750 CG GLU A 100 -8.785 2.226 10.426 1.00 0.00 C ATOM 1751 CD GLU A 100 -7.692 3.066 9.756 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -6.585 3.156 10.335 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -7.878 3.603 8.644 1.00 0.00 O ATOM 0 H GLU A 100 -8.741 -1.904 9.898 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.488 0.189 11.901 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.581 0.493 10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.971 0.654 8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.769 2.598 10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.712 2.314 11.510 1.00 0.00 H new ATOM 1760 N GLU A 101 -11.727 0.540 10.601 1.00 0.00 N ATOM 1761 CA GLU A 101 -13.119 0.443 10.163 1.00 0.00 C ATOM 1762 C GLU A 101 -13.187 0.607 8.635 1.00 0.00 C ATOM 1763 O GLU A 101 -14.139 0.136 8.009 1.00 0.00 O ATOM 1764 CB GLU A 101 -13.950 1.535 10.865 1.00 0.00 C ATOM 1765 CG GLU A 101 -14.754 0.997 12.064 1.00 0.00 C ATOM 1766 CD GLU A 101 -15.986 0.181 11.645 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -16.701 0.616 10.714 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -16.279 -0.868 12.275 1.00 0.00 O ATOM 0 H GLU A 101 -11.492 1.424 11.053 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.527 -0.533 10.427 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.285 2.328 11.206 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.636 1.982 10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.105 0.374 12.679 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.074 1.834 12.685 1.00 0.00 H new ATOM 1775 N ASP A 102 -12.147 1.186 8.028 1.00 0.00 N ATOM 1776 CA ASP A 102 -12.034 1.418 6.595 1.00 0.00 C ATOM 1777 C ASP A 102 -11.545 0.178 5.856 1.00 0.00 C ATOM 1778 O ASP A 102 -11.678 0.124 4.643 1.00 0.00 O ATOM 1779 CB ASP A 102 -11.004 2.513 6.247 1.00 0.00 C ATOM 1780 CG ASP A 102 -11.135 3.837 6.987 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -11.174 3.823 8.237 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -11.081 4.896 6.320 1.00 0.00 O ATOM 0 H ASP A 102 -11.333 1.517 8.546 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.040 1.709 6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.007 2.115 6.437 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.069 2.713 5.178 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.949 -0.808 6.541 1.00 0.00 N ATOM 1788 CA TYR A 103 -10.399 -2.042 5.958 1.00 0.00 C ATOM 1789 C TYR A 103 -9.186 -1.805 5.033 1.00 0.00 C ATOM 1790 O TYR A 103 -8.745 -2.731 4.357 1.00 0.00 O ATOM 1791 CB TYR A 103 -11.479 -2.877 5.249 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.671 -3.236 6.107 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -12.576 -4.295 7.028 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -13.864 -2.500 5.998 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -13.677 -4.628 7.831 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -14.979 -2.842 6.780 1.00 0.00 C ATOM 1797 CZ TYR A 103 -14.882 -3.902 7.703 1.00 0.00 C ATOM 1798 OH TYR A 103 -15.983 -4.307 8.386 1.00 0.00 O ATOM 0 H TYR A 103 -10.832 -0.768 7.553 1.00 0.00 H new ATOM 0 HA TYR A 103 -10.028 -2.616 6.807 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -11.830 -2.325 4.377 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.024 -3.797 4.882 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.655 -4.852 7.117 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -13.923 -1.669 5.311 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -13.604 -5.436 8.544 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.905 -2.296 6.675 1.00 0.00 H new ATOM 0 HH TYR A 103 -16.729 -3.702 8.192 1.00 0.00 H new ATOM 1808 N PHE A 104 -8.643 -0.585 4.985 1.00 0.00 N ATOM 1809 CA PHE A 104 -7.492 -0.200 4.173 1.00 0.00 C ATOM 1810 C PHE A 104 -6.244 -0.160 5.050 1.00 0.00 C ATOM 1811 O PHE A 104 -6.347 0.071 6.254 1.00 0.00 O ATOM 1812 CB PHE A 104 -7.713 1.202 3.583 1.00 0.00 C ATOM 1813 CG PHE A 104 -8.387 1.273 2.232 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -7.623 1.098 1.063 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -9.738 1.650 2.134 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -8.203 1.309 -0.199 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -10.312 1.873 0.874 1.00 0.00 C ATOM 1818 CZ PHE A 104 -9.548 1.701 -0.289 1.00 0.00 C ATOM 0 H PHE A 104 -9.011 0.191 5.535 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.369 -0.926 3.369 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.309 1.779 4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.744 1.695 3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.587 0.801 1.136 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -10.333 1.768 3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.617 1.170 -1.096 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -11.345 2.178 0.799 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.996 1.871 -1.257 1.00 0.00 H new ATOM 1828 N LEU A 105 -5.070 -0.362 4.437 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.777 -0.337 5.117 1.00 0.00 C ATOM 1830 C LEU A 105 -2.878 0.653 4.359 1.00 0.00 C ATOM 1831 O LEU A 105 -2.698 0.546 3.143 1.00 0.00 O ATOM 1832 CB LEU A 105 -3.204 -1.772 5.186 1.00 0.00 C ATOM 1833 CG LEU A 105 -3.168 -2.410 6.593 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -2.126 -1.715 7.475 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -4.527 -2.425 7.300 1.00 0.00 C ATOM 0 H LEU A 105 -4.996 -0.550 3.437 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.857 0.003 6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.796 -2.412 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.190 -1.759 4.787 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.888 -3.452 6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.116 -2.179 8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.141 -1.812 7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.378 -0.659 7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.422 -2.888 8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.887 -1.403 7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.240 -2.995 6.705 1.00 0.00 H new ATOM 1847 N TYR A 106 -2.274 1.602 5.074 1.00 0.00 N ATOM 1848 CA TYR A 106 -1.403 2.636 4.514 1.00 0.00 C ATOM 1849 C TYR A 106 0.069 2.255 4.703 1.00 0.00 C ATOM 1850 O TYR A 106 0.509 2.007 5.830 1.00 0.00 O ATOM 1851 CB TYR A 106 -1.761 3.960 5.193 1.00 0.00 C ATOM 1852 CG TYR A 106 -0.865 5.117 4.813 1.00 0.00 C ATOM 1853 CD1 TYR A 106 -0.981 5.736 3.555 1.00 0.00 C ATOM 1854 CD2 TYR A 106 0.081 5.586 5.738 1.00 0.00 C ATOM 1855 CE1 TYR A 106 -0.145 6.817 3.236 1.00 0.00 C ATOM 1856 CE2 TYR A 106 0.900 6.683 5.436 1.00 0.00 C ATOM 1857 CZ TYR A 106 0.787 7.303 4.176 1.00 0.00 C ATOM 1858 OH TYR A 106 1.559 8.370 3.857 1.00 0.00 O ATOM 0 H TYR A 106 -2.380 1.675 6.086 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.552 2.738 3.439 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.791 4.216 4.943 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.720 3.823 6.274 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.708 5.382 2.840 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.179 5.095 6.695 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.216 7.280 2.263 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.611 7.049 6.162 1.00 0.00 H new ATOM 0 HH TYR A 106 2.149 8.584 4.610 1.00 0.00 H new ATOM 1868 N VAL A 107 0.843 2.230 3.612 1.00 0.00 N ATOM 1869 CA VAL A 107 2.256 1.860 3.606 1.00 0.00 C ATOM 1870 C VAL A 107 3.092 2.917 2.881 1.00 0.00 C ATOM 1871 O VAL A 107 2.748 3.349 1.778 1.00 0.00 O ATOM 1872 CB VAL A 107 2.367 0.478 2.926 1.00 0.00 C ATOM 1873 CG1 VAL A 107 3.803 0.056 2.603 1.00 0.00 C ATOM 1874 CG2 VAL A 107 1.741 -0.614 3.804 1.00 0.00 C ATOM 0 H VAL A 107 0.491 2.474 2.686 1.00 0.00 H new ATOM 0 HA VAL A 107 2.646 1.805 4.622 1.00 0.00 H new ATOM 0 HB VAL A 107 1.829 0.586 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.796 -0.925 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 107 4.253 0.784 1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.384 0.008 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.831 -1.579 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.259 -0.652 4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.688 -0.388 3.970 1.00 0.00 H new ATOM 1884 N ALA A 108 4.221 3.301 3.476 1.00 0.00 N ATOM 1885 CA ALA A 108 5.134 4.289 2.903 1.00 0.00 C ATOM 1886 C ALA A 108 6.496 3.647 2.632 1.00 0.00 C ATOM 1887 O ALA A 108 6.837 2.642 3.266 1.00 0.00 O ATOM 1888 CB ALA A 108 5.262 5.493 3.832 1.00 0.00 C ATOM 0 H ALA A 108 4.530 2.932 4.376 1.00 0.00 H new ATOM 0 HA ALA A 108 4.731 4.642 1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.945 6.220 3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.283 5.952 3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.650 5.168 4.797 1.00 0.00 H new ATOM 1894 N TYR A 109 7.242 4.170 1.651 1.00 0.00 N ATOM 1895 CA TYR A 109 8.573 3.667 1.295 1.00 0.00 C ATOM 1896 C TYR A 109 9.557 4.827 1.131 1.00 0.00 C ATOM 1897 O TYR A 109 9.187 5.888 0.612 1.00 0.00 O ATOM 1898 CB TYR A 109 8.535 2.727 0.078 1.00 0.00 C ATOM 1899 CG TYR A 109 8.285 3.356 -1.288 1.00 0.00 C ATOM 1900 CD1 TYR A 109 7.049 3.945 -1.596 1.00 0.00 C ATOM 1901 CD2 TYR A 109 9.292 3.352 -2.268 1.00 0.00 C ATOM 1902 CE1 TYR A 109 6.834 4.578 -2.831 1.00 0.00 C ATOM 1903 CE2 TYR A 109 9.088 3.959 -3.523 1.00 0.00 C ATOM 1904 CZ TYR A 109 7.858 4.605 -3.801 1.00 0.00 C ATOM 1905 OH TYR A 109 7.627 5.239 -4.988 1.00 0.00 O ATOM 0 H TYR A 109 6.937 4.958 1.080 1.00 0.00 H new ATOM 0 HA TYR A 109 8.936 3.052 2.118 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.485 2.194 0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.759 1.982 0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.249 3.911 -0.871 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.238 2.876 -2.056 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.883 5.045 -3.039 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.867 3.932 -4.271 1.00 0.00 H new ATOM 0 HH TYR A 109 8.425 5.175 -5.554 1.00 0.00 H new ATOM 1915 N SER A 110 10.813 4.602 1.530 1.00 0.00 N ATOM 1916 CA SER A 110 11.903 5.568 1.491 1.00 0.00 C ATOM 1917 C SER A 110 13.210 4.865 1.126 1.00 0.00 C ATOM 1918 O SER A 110 13.432 3.745 1.585 1.00 0.00 O ATOM 1919 CB SER A 110 12.092 6.181 2.897 1.00 0.00 C ATOM 1920 OG SER A 110 10.883 6.411 3.599 1.00 0.00 O ATOM 0 H SER A 110 11.105 3.699 1.905 1.00 0.00 H new ATOM 0 HA SER A 110 11.661 6.334 0.755 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.722 5.517 3.489 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.628 7.125 2.800 1.00 0.00 H new ATOM 0 HG SER A 110 11.083 6.797 4.477 1.00 0.00 H new ATOM 1926 N ASP A 111 14.054 5.499 0.307 1.00 0.00 N ATOM 1927 CA ASP A 111 15.369 4.961 -0.088 1.00 0.00 C ATOM 1928 C ASP A 111 16.233 4.914 1.174 1.00 0.00 C ATOM 1929 O ASP A 111 16.820 3.896 1.531 1.00 0.00 O ATOM 1930 CB ASP A 111 16.003 5.892 -1.143 1.00 0.00 C ATOM 1931 CG ASP A 111 17.488 5.631 -1.462 1.00 0.00 C ATOM 1932 OD1 ASP A 111 18.349 5.740 -0.557 1.00 0.00 O ATOM 1933 OD2 ASP A 111 17.818 5.550 -2.666 1.00 0.00 O ATOM 0 H ASP A 111 13.847 6.408 -0.107 1.00 0.00 H new ATOM 0 HA ASP A 111 15.280 3.965 -0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 111 15.432 5.805 -2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 111 15.900 6.922 -0.800 1.00 0.00 H new ATOM 1938 N GLU A 112 16.200 6.026 1.906 1.00 0.00 N ATOM 1939 CA GLU A 112 16.922 6.283 3.130 1.00 0.00 C ATOM 1940 C GLU A 112 15.939 6.544 4.267 1.00 0.00 C ATOM 1941 O GLU A 112 14.978 7.302 4.099 1.00 0.00 O ATOM 1942 CB GLU A 112 17.887 7.447 2.882 1.00 0.00 C ATOM 1943 CG GLU A 112 17.299 8.717 2.238 1.00 0.00 C ATOM 1944 CD GLU A 112 18.363 9.398 1.374 1.00 0.00 C ATOM 1945 OE1 GLU A 112 19.406 9.817 1.932 1.00 0.00 O ATOM 1946 OE2 GLU A 112 18.199 9.483 0.135 1.00 0.00 O ATOM 0 H GLU A 112 15.624 6.822 1.631 1.00 0.00 H new ATOM 0 HA GLU A 112 17.513 5.419 3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.333 7.726 3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 112 18.695 7.087 2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 112 16.432 8.460 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.953 9.402 3.012 1.00 0.00 H new ATOM 1953 N SER A 113 16.106 5.842 5.381 1.00 0.00 N ATOM 1954 CA SER A 113 15.294 5.952 6.578 1.00 0.00 C ATOM 1955 C SER A 113 15.704 7.244 7.303 1.00 0.00 C ATOM 1956 O SER A 113 16.705 7.248 8.028 1.00 0.00 O ATOM 1957 CB SER A 113 15.535 4.664 7.382 1.00 0.00 C ATOM 1958 OG SER A 113 14.738 4.567 8.546 1.00 0.00 O ATOM 0 H SER A 113 16.848 5.148 5.475 1.00 0.00 H new ATOM 0 HA SER A 113 14.223 6.032 6.393 1.00 0.00 H new ATOM 0 HB2 SER A 113 15.336 3.804 6.743 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.586 4.614 7.666 1.00 0.00 H new ATOM 0 HG SER A 113 14.937 3.727 9.010 1.00 0.00 H new ATOM 1964 N VAL A 114 14.957 8.335 7.135 1.00 0.00 N ATOM 1965 CA VAL A 114 15.191 9.643 7.752 1.00 0.00 C ATOM 1966 C VAL A 114 13.808 10.258 7.984 1.00 0.00 C ATOM 1967 O VAL A 114 12.958 10.149 7.097 1.00 0.00 O ATOM 1968 CB VAL A 114 16.050 10.538 6.820 1.00 0.00 C ATOM 1969 CG1 VAL A 114 16.345 11.913 7.445 1.00 0.00 C ATOM 1970 CG2 VAL A 114 17.394 9.906 6.418 1.00 0.00 C ATOM 0 H VAL A 114 14.132 8.332 6.536 1.00 0.00 H new ATOM 0 HA VAL A 114 15.740 9.551 8.689 1.00 0.00 H new ATOM 0 HB VAL A 114 15.437 10.651 5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 114 16.949 12.504 6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.407 12.432 7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.889 11.779 8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 114 17.938 10.590 5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.985 9.709 7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 114 17.212 8.970 5.890 1.00 0.00 H new ATOM 1980 N TYR A 115 13.563 10.867 9.149 1.00 0.00 N ATOM 1981 CA TYR A 115 12.284 11.491 9.453 1.00 0.00 C ATOM 1982 C TYR A 115 12.396 12.988 9.203 1.00 0.00 C ATOM 1983 O TYR A 115 12.522 13.788 10.159 1.00 0.00 O ATOM 1984 CB TYR A 115 11.805 11.102 10.860 1.00 0.00 C ATOM 1985 CG TYR A 115 10.415 11.625 11.168 1.00 0.00 C ATOM 1986 CD1 TYR A 115 9.337 11.284 10.332 1.00 0.00 C ATOM 1987 CD2 TYR A 115 10.206 12.499 12.250 1.00 0.00 C ATOM 1988 CE1 TYR A 115 8.065 11.833 10.556 1.00 0.00 C ATOM 1989 CE2 TYR A 115 8.938 13.066 12.473 1.00 0.00 C ATOM 1990 CZ TYR A 115 7.866 12.752 11.609 1.00 0.00 C ATOM 1991 OH TYR A 115 6.645 13.324 11.780 1.00 0.00 O ATOM 0 H TYR A 115 14.248 10.938 9.902 1.00 0.00 H new ATOM 0 HA TYR A 115 11.501 11.122 8.790 1.00 0.00 H new ATOM 0 HB2 TYR A 115 11.810 10.016 10.954 1.00 0.00 H new ATOM 0 HB3 TYR A 115 12.507 11.489 11.599 1.00 0.00 H new ATOM 0 HD1 TYR A 115 9.489 10.596 9.513 1.00 0.00 H new ATOM 0 HD2 TYR A 115 11.024 12.736 12.914 1.00 0.00 H new ATOM 0 HE1 TYR A 115 7.237 11.552 9.922 1.00 0.00 H new ATOM 0 HE2 TYR A 115 8.785 13.740 13.303 1.00 0.00 H new ATOM 0 HH TYR A 115 6.673 13.931 12.548 1.00 0.00 H new TER 2001 TYR A 115 ATOM 2002 N GLY B 722 -21.664 9.796 -0.341 1.00 0.00 N ATOM 2003 CA GLY B 722 -21.749 9.182 -1.673 1.00 0.00 C ATOM 2004 C GLY B 722 -22.259 7.767 -1.512 1.00 0.00 C ATOM 2005 O GLY B 722 -21.723 7.041 -0.675 1.00 0.00 O ATOM 0 HA2 GLY B 722 -22.418 9.756 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY B 722 -20.771 9.181 -2.154 1.00 0.00 H new ATOM 2009 N ALA B 723 -23.300 7.375 -2.246 1.00 0.00 N ATOM 2010 CA ALA B 723 -23.883 6.045 -2.159 1.00 0.00 C ATOM 2011 C ALA B 723 -23.675 5.285 -3.465 1.00 0.00 C ATOM 2012 O ALA B 723 -23.682 5.883 -4.544 1.00 0.00 O ATOM 2013 CB ALA B 723 -25.368 6.186 -1.840 1.00 0.00 C ATOM 0 H ALA B 723 -23.764 7.981 -2.923 1.00 0.00 H new ATOM 0 HA ALA B 723 -23.395 5.476 -1.368 1.00 0.00 H new ATOM 0 HB1 ALA B 723 -25.821 5.197 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA B 723 -25.488 6.707 -0.890 1.00 0.00 H new ATOM 0 HB3 ALA B 723 -25.858 6.755 -2.630 1.00 0.00 H new ATOM 2019 N MET B 724 -23.454 3.975 -3.361 1.00 0.00 N ATOM 2020 CA MET B 724 -23.245 3.083 -4.491 1.00 0.00 C ATOM 2021 C MET B 724 -24.275 1.960 -4.432 1.00 0.00 C ATOM 2022 O MET B 724 -24.390 1.295 -3.403 1.00 0.00 O ATOM 2023 CB MET B 724 -21.808 2.531 -4.477 1.00 0.00 C ATOM 2024 CG MET B 724 -21.550 1.630 -5.694 1.00 0.00 C ATOM 2025 SD MET B 724 -20.050 0.621 -5.644 1.00 0.00 S ATOM 2026 CE MET B 724 -18.837 1.866 -6.123 1.00 0.00 C ATOM 0 H MET B 724 -23.415 3.496 -2.461 1.00 0.00 H new ATOM 0 HA MET B 724 -23.375 3.629 -5.425 1.00 0.00 H new ATOM 0 HB2 MET B 724 -21.098 3.358 -4.475 1.00 0.00 H new ATOM 0 HB3 MET B 724 -21.641 1.966 -3.560 1.00 0.00 H new ATOM 0 HG2 MET B 724 -22.405 0.965 -5.814 1.00 0.00 H new ATOM 0 HG3 MET B 724 -21.509 2.260 -6.583 1.00 0.00 H new ATOM 0 HE1 MET B 724 -17.844 1.417 -6.145 1.00 0.00 H new ATOM 0 HE2 MET B 724 -19.083 2.252 -7.112 1.00 0.00 H new ATOM 0 HE3 MET B 724 -18.850 2.683 -5.402 1.00 0.00 H new ATOM 2036 N GLY B 725 -24.992 1.726 -5.525 1.00 0.00 N ATOM 2037 CA GLY B 725 -25.995 0.677 -5.683 1.00 0.00 C ATOM 2038 C GLY B 725 -25.497 -0.385 -6.668 1.00 0.00 C ATOM 2039 O GLY B 725 -26.241 -1.300 -7.020 1.00 0.00 O ATOM 0 H GLY B 725 -24.885 2.291 -6.368 1.00 0.00 H new ATOM 0 HA2 GLY B 725 -26.207 0.218 -4.718 1.00 0.00 H new ATOM 0 HA3 GLY B 725 -26.929 1.108 -6.043 1.00 0.00 H new ATOM 2043 N SER B 726 -24.244 -0.285 -7.119 1.00 0.00 N ATOM 2044 CA SER B 726 -23.605 -1.195 -8.050 1.00 0.00 C ATOM 2045 C SER B 726 -23.187 -2.490 -7.349 1.00 0.00 C ATOM 2046 O SER B 726 -22.878 -2.480 -6.156 1.00 0.00 O ATOM 2047 CB SER B 726 -22.374 -0.518 -8.642 1.00 0.00 C ATOM 2048 OG SER B 726 -22.689 0.703 -9.291 1.00 0.00 O ATOM 0 H SER B 726 -23.625 0.471 -6.826 1.00 0.00 H new ATOM 0 HA SER B 726 -24.314 -1.445 -8.839 1.00 0.00 H new ATOM 0 HB2 SER B 726 -21.650 -0.329 -7.849 1.00 0.00 H new ATOM 0 HB3 SER B 726 -21.898 -1.193 -9.354 1.00 0.00 H new ATOM 0 HG SER B 726 -21.870 1.102 -9.653 1.00 0.00 H new ATOM 2054 N ALA B 727 -23.129 -3.588 -8.102 1.00 0.00 N ATOM 2055 CA ALA B 727 -22.754 -4.906 -7.627 1.00 0.00 C ATOM 2056 C ALA B 727 -21.253 -5.163 -7.673 1.00 0.00 C ATOM 2057 O ALA B 727 -20.760 -5.867 -6.787 1.00 0.00 O ATOM 2058 CB ALA B 727 -23.447 -5.960 -8.481 1.00 0.00 C ATOM 0 H ALA B 727 -23.352 -3.576 -9.097 1.00 0.00 H new ATOM 0 HA ALA B 727 -23.063 -4.961 -6.583 1.00 0.00 H new ATOM 0 HB1 ALA B 727 -23.169 -6.954 -8.129 1.00 0.00 H new ATOM 0 HB2 ALA B 727 -24.527 -5.837 -8.405 1.00 0.00 H new ATOM 0 HB3 ALA B 727 -23.141 -5.845 -9.521 1.00 0.00 H new ATOM 2064 N SER B 728 -20.517 -4.650 -8.667 1.00 0.00 N ATOM 2065 CA SER B 728 -19.079 -4.897 -8.725 1.00 0.00 C ATOM 2066 C SER B 728 -18.384 -4.205 -7.549 1.00 0.00 C ATOM 2067 O SER B 728 -18.933 -3.309 -6.894 1.00 0.00 O ATOM 2068 CB SER B 728 -18.478 -4.508 -10.085 1.00 0.00 C ATOM 2069 OG SER B 728 -17.207 -5.118 -10.224 1.00 0.00 O ATOM 0 H SER B 728 -20.887 -4.075 -9.424 1.00 0.00 H new ATOM 0 HA SER B 728 -18.907 -5.969 -8.630 1.00 0.00 H new ATOM 0 HB2 SER B 728 -19.138 -4.826 -10.892 1.00 0.00 H new ATOM 0 HB3 SER B 728 -18.385 -3.424 -10.158 1.00 0.00 H new ATOM 0 HG SER B 728 -16.820 -4.874 -11.091 1.00 0.00 H new ATOM 2075 N SER B 729 -17.216 -4.719 -7.199 1.00 0.00 N ATOM 2076 CA SER B 729 -16.345 -4.238 -6.142 1.00 0.00 C ATOM 2077 C SER B 729 -15.278 -3.357 -6.800 1.00 0.00 C ATOM 2078 O SER B 729 -15.273 -3.209 -8.026 1.00 0.00 O ATOM 2079 CB SER B 729 -15.757 -5.451 -5.394 1.00 0.00 C ATOM 2080 OG SER B 729 -15.606 -6.583 -6.240 1.00 0.00 O ATOM 0 H SER B 729 -16.828 -5.533 -7.676 1.00 0.00 H new ATOM 0 HA SER B 729 -16.872 -3.639 -5.400 1.00 0.00 H new ATOM 0 HB2 SER B 729 -14.788 -5.182 -4.974 1.00 0.00 H new ATOM 0 HB3 SER B 729 -16.406 -5.709 -4.557 1.00 0.00 H new ATOM 0 HG SER B 729 -15.229 -7.327 -5.726 1.00 0.00 H new ATOM 2086 N GLU B 730 -14.450 -2.675 -6.005 1.00 0.00 N ATOM 2087 CA GLU B 730 -13.400 -1.861 -6.603 1.00 0.00 C ATOM 2088 C GLU B 730 -12.267 -2.795 -7.009 1.00 0.00 C ATOM 2089 O GLU B 730 -12.179 -3.911 -6.488 1.00 0.00 O ATOM 2090 CB GLU B 730 -12.897 -0.761 -5.650 1.00 0.00 C ATOM 2091 CG GLU B 730 -13.388 0.636 -6.068 1.00 0.00 C ATOM 2092 CD GLU B 730 -13.074 1.034 -7.515 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -13.860 0.635 -8.404 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -12.007 1.646 -7.761 1.00 0.00 O ATOM 0 H GLU B 730 -14.484 -2.670 -4.986 1.00 0.00 H new ATOM 0 HA GLU B 730 -13.799 -1.339 -7.473 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -13.237 -0.976 -4.637 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -11.807 -0.771 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -14.467 0.683 -5.922 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -12.943 1.374 -5.401 1.00 0.00 H new ATOM 2101 N ASP B 731 -11.416 -2.351 -7.933 1.00 0.00 N ATOM 2102 CA ASP B 731 -10.295 -3.152 -8.395 1.00 0.00 C ATOM 2103 C ASP B 731 -9.080 -2.252 -8.467 1.00 0.00 C ATOM 2104 O ASP B 731 -9.075 -1.245 -9.187 1.00 0.00 O ATOM 2105 CB ASP B 731 -10.549 -3.844 -9.742 1.00 0.00 C ATOM 2106 CG ASP B 731 -11.681 -4.865 -9.683 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -11.455 -5.995 -9.182 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -12.805 -4.548 -10.123 1.00 0.00 O ATOM 0 H ASP B 731 -11.487 -1.435 -8.376 1.00 0.00 H new ATOM 0 HA ASP B 731 -10.138 -3.965 -7.686 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -10.786 -3.090 -10.493 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -9.635 -4.341 -10.067 1.00 0.00 H new ATOM 2113 N TYR B 732 -8.086 -2.588 -7.656 1.00 0.00 N ATOM 2114 CA TYR B 732 -6.810 -1.902 -7.531 1.00 0.00 C ATOM 2115 C TYR B 732 -5.738 -2.792 -8.166 1.00 0.00 C ATOM 2116 O TYR B 732 -6.071 -3.826 -8.754 1.00 0.00 O ATOM 2117 CB TYR B 732 -6.567 -1.529 -6.061 1.00 0.00 C ATOM 2118 CG TYR B 732 -7.705 -0.783 -5.369 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -8.462 0.195 -6.051 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -8.018 -1.085 -4.030 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -9.531 0.852 -5.415 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -9.094 -0.443 -3.391 1.00 0.00 C ATOM 2123 CZ TYR B 732 -9.859 0.521 -4.084 1.00 0.00 C ATOM 2124 OH TYR B 732 -10.887 1.125 -3.433 1.00 0.00 O ATOM 0 H TYR B 732 -8.154 -3.393 -7.033 1.00 0.00 H new ATOM 0 HA TYR B 732 -6.788 -0.953 -8.066 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -6.364 -2.443 -5.503 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -5.668 -0.915 -6.005 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -8.217 0.442 -7.074 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -7.429 -1.813 -3.491 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -10.097 1.605 -5.943 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -9.336 -0.688 -2.367 1.00 0.00 H new ATOM 0 HH TYR B 732 -11.095 1.977 -3.870 1.00 0.00 H new ATOM 2134 N ILE B 733 -4.456 -2.452 -8.019 1.00 0.00 N ATOM 2135 CA ILE B 733 -3.397 -3.230 -8.643 1.00 0.00 C ATOM 2136 C ILE B 733 -3.047 -4.418 -7.739 1.00 0.00 C ATOM 2137 O ILE B 733 -2.285 -4.284 -6.775 1.00 0.00 O ATOM 2138 CB ILE B 733 -2.206 -2.304 -8.993 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -2.469 -1.243 -10.098 1.00 0.00 C ATOM 2140 CG2 ILE B 733 -1.043 -3.137 -9.548 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -3.695 -0.334 -9.973 1.00 0.00 C ATOM 0 H ILE B 733 -4.133 -1.650 -7.478 1.00 0.00 H new ATOM 0 HA ILE B 733 -3.719 -3.659 -9.592 1.00 0.00 H new ATOM 0 HB ILE B 733 -2.005 -1.794 -8.051 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -1.589 -0.603 -10.157 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -2.544 -1.770 -11.049 1.00 0.00 H new ATOM 0 HG21 ILE B 733 -0.209 -2.480 -9.792 1.00 0.00 H new ATOM 0 HG22 ILE B 733 -0.726 -3.863 -8.800 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -1.367 -3.661 -10.447 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -3.731 0.347 -10.824 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -4.599 -0.943 -9.956 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -3.628 0.242 -9.050 1.00 0.00 H new ATOM 2153 N ILE B 734 -3.627 -5.589 -8.004 1.00 0.00 N ATOM 2154 CA ILE B 734 -3.350 -6.795 -7.222 1.00 0.00 C ATOM 2155 C ILE B 734 -1.985 -7.322 -7.674 1.00 0.00 C ATOM 2156 O ILE B 734 -1.673 -7.241 -8.876 1.00 0.00 O ATOM 2157 CB ILE B 734 -4.401 -7.917 -7.426 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -5.872 -7.468 -7.327 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -4.169 -9.065 -6.418 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -6.803 -8.463 -8.031 1.00 0.00 C ATOM 0 H ILE B 734 -4.297 -5.728 -8.760 1.00 0.00 H new ATOM 0 HA ILE B 734 -3.377 -6.527 -6.166 1.00 0.00 H new ATOM 0 HB ILE B 734 -4.248 -8.246 -8.454 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -6.158 -7.377 -6.279 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -5.985 -6.481 -7.775 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -4.915 -9.844 -6.575 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -3.173 -9.482 -6.565 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -4.255 -8.680 -5.402 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -7.834 -8.120 -7.945 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -6.531 -8.533 -9.084 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -6.707 -9.444 -7.565 1.00 0.00 H new ATOM 2172 N ILE B 735 -1.179 -7.849 -6.744 1.00 0.00 N ATOM 2173 CA ILE B 735 0.121 -8.416 -7.105 1.00 0.00 C ATOM 2174 C ILE B 735 0.431 -9.643 -6.243 1.00 0.00 C ATOM 2175 O ILE B 735 0.362 -9.574 -5.011 1.00 0.00 O ATOM 2176 CB ILE B 735 1.227 -7.337 -7.156 1.00 0.00 C ATOM 2177 CG1 ILE B 735 2.269 -7.751 -8.212 1.00 0.00 C ATOM 2178 CG2 ILE B 735 1.924 -7.047 -5.814 1.00 0.00 C ATOM 2179 CD1 ILE B 735 3.158 -6.586 -8.639 1.00 0.00 C ATOM 0 H ILE B 735 -1.402 -7.894 -5.750 1.00 0.00 H new ATOM 0 HA ILE B 735 0.082 -8.790 -8.128 1.00 0.00 H new ATOM 0 HB ILE B 735 0.730 -6.403 -7.419 1.00 0.00 H new ATOM 0 HG12 ILE B 735 2.891 -8.551 -7.811 1.00 0.00 H new ATOM 0 HG13 ILE B 735 1.757 -8.153 -9.086 1.00 0.00 H new ATOM 0 HG21 ILE B 735 2.682 -6.277 -5.957 1.00 0.00 H new ATOM 0 HG22 ILE B 735 1.187 -6.701 -5.089 1.00 0.00 H new ATOM 0 HG23 ILE B 735 2.397 -7.957 -5.445 1.00 0.00 H new ATOM 0 HD11 ILE B 735 3.875 -6.930 -9.384 1.00 0.00 H new ATOM 0 HD12 ILE B 735 2.541 -5.795 -9.067 1.00 0.00 H new ATOM 0 HD13 ILE B 735 3.693 -6.200 -7.772 1.00 0.00 H new ATOM 2191 N LEU B 736 0.788 -10.764 -6.875 1.00 0.00 N ATOM 2192 CA LEU B 736 1.101 -12.020 -6.204 1.00 0.00 C ATOM 2193 C LEU B 736 2.331 -12.723 -6.812 1.00 0.00 C ATOM 2194 O LEU B 736 2.635 -12.495 -7.988 1.00 0.00 O ATOM 2195 CB LEU B 736 -0.180 -12.881 -6.066 1.00 0.00 C ATOM 2196 CG LEU B 736 -0.959 -13.234 -7.354 1.00 0.00 C ATOM 2197 CD1 LEU B 736 -1.737 -14.537 -7.137 1.00 0.00 C ATOM 2198 CD2 LEU B 736 -1.999 -12.159 -7.721 1.00 0.00 C ATOM 0 H LEU B 736 0.868 -10.821 -7.890 1.00 0.00 H new ATOM 0 HA LEU B 736 1.426 -11.820 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU B 736 0.096 -13.815 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU B 736 -0.863 -12.359 -5.395 1.00 0.00 H new ATOM 0 HG LEU B 736 -0.222 -13.317 -8.153 1.00 0.00 H new ATOM 0 HD11 LEU B 736 -2.287 -14.788 -8.044 1.00 0.00 H new ATOM 0 HD12 LEU B 736 -1.041 -15.342 -6.901 1.00 0.00 H new ATOM 0 HD13 LEU B 736 -2.437 -14.409 -6.312 1.00 0.00 H new ATOM 0 HD21 LEU B 736 -2.520 -12.453 -8.632 1.00 0.00 H new ATOM 0 HD22 LEU B 736 -2.719 -12.057 -6.909 1.00 0.00 H new ATOM 0 HD23 LEU B 736 -1.496 -11.206 -7.882 1.00 0.00 H new ATOM 2210 N PRO B 737 3.080 -13.530 -6.023 1.00 0.00 N ATOM 2211 CA PRO B 737 4.272 -14.253 -6.456 1.00 0.00 C ATOM 2212 C PRO B 737 3.904 -15.415 -7.379 1.00 0.00 C ATOM 2213 O PRO B 737 2.749 -15.595 -7.757 1.00 0.00 O ATOM 2214 CB PRO B 737 4.960 -14.728 -5.171 1.00 0.00 C ATOM 2215 CG PRO B 737 3.786 -14.980 -4.239 1.00 0.00 C ATOM 2216 CD PRO B 737 2.827 -13.859 -4.626 1.00 0.00 C ATOM 0 HA PRO B 737 4.941 -13.621 -7.040 1.00 0.00 H new ATOM 0 HB2 PRO B 737 5.548 -15.631 -5.336 1.00 0.00 H new ATOM 0 HB3 PRO B 737 5.639 -13.974 -4.773 1.00 0.00 H new ATOM 0 HG2 PRO B 737 3.346 -15.965 -4.394 1.00 0.00 H new ATOM 0 HG3 PRO B 737 4.078 -14.923 -3.190 1.00 0.00 H new ATOM 0 HD2 PRO B 737 1.793 -14.174 -4.487 1.00 0.00 H new ATOM 0 HD3 PRO B 737 2.982 -12.986 -3.992 1.00 0.00 H new ATOM 2224 N GLU B 738 4.903 -16.164 -7.826 1.00 0.00 N ATOM 2225 CA GLU B 738 4.712 -17.294 -8.721 1.00 0.00 C ATOM 2226 C GLU B 738 4.022 -18.477 -8.048 1.00 0.00 C ATOM 2227 O GLU B 738 3.145 -19.083 -8.664 1.00 0.00 O ATOM 2228 CB GLU B 738 6.088 -17.731 -9.220 1.00 0.00 C ATOM 2229 CG GLU B 738 6.021 -18.452 -10.569 1.00 0.00 C ATOM 2230 CD GLU B 738 7.096 -17.899 -11.493 1.00 0.00 C ATOM 2231 OE1 GLU B 738 6.939 -16.763 -11.989 1.00 0.00 O ATOM 2232 OE2 GLU B 738 8.129 -18.589 -11.689 1.00 0.00 O ATOM 0 H GLU B 738 5.878 -16.001 -7.574 1.00 0.00 H new ATOM 0 HA GLU B 738 4.063 -16.976 -9.537 1.00 0.00 H new ATOM 0 HB2 GLU B 738 6.732 -16.857 -9.311 1.00 0.00 H new ATOM 0 HB3 GLU B 738 6.546 -18.390 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU B 738 6.163 -19.523 -10.428 1.00 0.00 H new ATOM 0 HG3 GLU B 738 5.037 -18.317 -11.017 1.00 0.00 H new ATOM 2239 N SER B 739 4.380 -18.735 -6.786 1.00 0.00 N ATOM 2240 CA SER B 739 3.908 -19.816 -5.934 1.00 0.00 C ATOM 2241 C SER B 739 3.937 -21.138 -6.689 1.00 0.00 C ATOM 2242 O SER B 739 5.058 -21.628 -6.932 1.00 0.00 O ATOM 2243 CB SER B 739 2.579 -19.475 -5.244 1.00 0.00 C ATOM 2244 OG SER B 739 1.595 -19.155 -6.204 1.00 0.00 O ATOM 0 H SER B 739 5.058 -18.146 -6.303 1.00 0.00 H new ATOM 0 HA SER B 739 4.597 -19.944 -5.099 1.00 0.00 H new ATOM 0 HB2 SER B 739 2.247 -20.321 -4.641 1.00 0.00 H new ATOM 0 HB3 SER B 739 2.720 -18.635 -4.564 1.00 0.00 H new ATOM 0 HG SER B 739 0.753 -18.941 -5.751 1.00 0.00 H new TER 2250 SER B 739