USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 848 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 57 LYS NZ :NH3+ -147:sc= 2 (180deg=0.947) USER MOD Set 1.2: A 59 TYR OH : rot 90:sc= 0.133 USER MOD Set 1.3: A 95 CYS SG : rot 72:sc= 0.771 USER MOD Set 2.1: A 86 TYR OH : rot -94:sc= 1.32 USER MOD Set 2.2: A 90 HIS : no HD1:sc= 1.01 K(o=2.3,f=-7.1!) USER MOD Set 3.1: A 81 GLN : amide:sc= -0.0111 K(o=-0.13,f=-1) USER MOD Set 3.2: A 82 GLN : amide:sc= -0.118 X(o=-0.13,f=-0.18) USER MOD Set 4.1: A 52 LYS NZ :NH3+ -155:sc= -0.849 (180deg=-2.56!) USER MOD Set 4.2: A 55 ASN : amide:sc= 0.35 K(o=-0.5,f=-6.7!) USER MOD Set 5.1: A 42 CYS SG : rot -84:sc= 0.178 USER MOD Set 5.2: A 44 SER OG : rot -101:sc= 2.2 USER MOD Set 5.3: A 58 HIS : no HD1:sc= 1.01 K(o=3.4,f=-2.8) USER MOD Set 6.1: A 6 TYR OH : rot 180:sc= -0.268 USER MOD Set 6.2: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 7.1: A 34 SER OG : rot 170:sc= 0 USER MOD Set 7.2: A 36 THR OG1 : rot -78:sc= 1.07 USER MOD Set 8.1: A 28 THR OG1 : rot 72:sc= 1.83 USER MOD Set 8.2: A 100 ASN : amide:sc= 0.195 K(o=2,f=-1.3!) USER MOD Single : A 1 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.023) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= 1.27 (180deg=0.821) USER MOD Single : A 11 THR OG1 : rot -72:sc= 0.941 USER MOD Single : A 15 SER OG : rot -120:sc= -0.268 USER MOD Single : A 21 ASN : amide:sc= 1.57 K(o=1.6,f=-0.018) USER MOD Single : A 24 ASN : amide:sc= -1.11 K(o=-1.1,f=-3.9!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -146:sc= 1.21 (180deg=0.341) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0228 X(o=-0.023,f=-0.023) USER MOD Single : A 60 LYS NZ :NH3+ 168:sc= -0.014 (180deg=-0.143) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -92:sc= 0.289 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0471 USER MOD Single : A 76 GLN : amide:sc= -0.829 K(o=-0.83,f=-1.9) USER MOD Single : A 78 SER OG : rot -58:sc= 1.26 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0329 USER MOD Single : A 87 TYR OH : rot 100:sc= -1.38 USER MOD Single : A 88 SER OG : rot 74:sc= 1.25 USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= -0.0429 (180deg=-0.268) USER MOD Single : A 96 HIS : no HD1:sc= 1.1 K(o=1.1,f=-4.8!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot 117:sc= -1.7! USER MOD Single : A 104 THR OG1 : rot 44:sc= 0.0382 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0935 USER MOD Single : A 106 LYS NZ :NH3+ -161:sc= -0.0433 (180deg=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 10.767 -4.294 -15.179 1.00 0.00 N ATOM 2 CA GLN A 1 9.427 -4.877 -15.402 1.00 0.00 C ATOM 3 C GLN A 1 8.715 -5.081 -14.077 1.00 0.00 C ATOM 4 O GLN A 1 8.970 -6.044 -13.351 1.00 0.00 O ATOM 5 CB GLN A 1 9.532 -6.199 -16.159 1.00 0.00 C ATOM 6 CG GLN A 1 8.206 -6.932 -16.325 1.00 0.00 C ATOM 7 CD GLN A 1 7.181 -6.139 -17.114 1.00 0.00 C ATOM 8 OE1 GLN A 1 7.125 -6.223 -18.338 1.00 0.00 O ATOM 9 NE2 GLN A 1 6.344 -5.386 -16.418 1.00 0.00 N ATOM 0 H1 GLN A 1 11.244 -4.159 -16.094 1.00 0.00 H new ATOM 0 H2 GLN A 1 10.671 -3.376 -14.700 1.00 0.00 H new ATOM 0 H3 GLN A 1 11.331 -4.936 -14.586 1.00 0.00 H new ATOM 0 HA GLN A 1 8.846 -4.182 -16.008 1.00 0.00 H new ATOM 0 HB2 GLN A 1 9.954 -6.007 -17.146 1.00 0.00 H new ATOM 0 HB3 GLN A 1 10.231 -6.850 -15.634 1.00 0.00 H new ATOM 0 HG2 GLN A 1 8.384 -7.884 -16.826 1.00 0.00 H new ATOM 0 HG3 GLN A 1 7.799 -7.162 -15.340 1.00 0.00 H new ATOM 0 HE21 GLN A 1 6.422 -5.342 -15.402 1.00 0.00 H new ATOM 0 HE22 GLN A 1 5.621 -4.850 -16.898 1.00 0.00 H new ATOM 20 N ALA A 2 7.817 -4.158 -13.786 1.00 0.00 N ATOM 21 CA ALA A 2 7.050 -4.161 -12.551 1.00 0.00 C ATOM 22 C ALA A 2 6.055 -3.013 -12.553 1.00 0.00 C ATOM 23 O ALA A 2 6.325 -1.945 -13.107 1.00 0.00 O ATOM 24 CB ALA A 2 7.972 -4.040 -11.344 1.00 0.00 C ATOM 0 H ALA A 2 7.597 -3.378 -14.405 1.00 0.00 H new ATOM 0 HA ALA A 2 6.511 -5.106 -12.485 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.378 -4.044 -10.430 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.665 -4.881 -11.330 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.534 -3.108 -11.407 1.00 0.00 H new ATOM 30 N GLU A 3 4.894 -3.246 -11.966 1.00 0.00 N ATOM 31 CA GLU A 3 3.924 -2.185 -11.760 1.00 0.00 C ATOM 32 C GLU A 3 4.461 -1.226 -10.708 1.00 0.00 C ATOM 33 O GLU A 3 5.021 -1.650 -9.701 1.00 0.00 O ATOM 34 CB GLU A 3 2.578 -2.767 -11.316 1.00 0.00 C ATOM 35 CG GLU A 3 1.884 -3.602 -12.382 1.00 0.00 C ATOM 36 CD GLU A 3 1.350 -2.761 -13.525 1.00 0.00 C ATOM 37 OE1 GLU A 3 2.163 -2.160 -14.258 1.00 0.00 O ATOM 38 OE2 GLU A 3 0.115 -2.698 -13.699 1.00 0.00 O ATOM 0 H GLU A 3 4.600 -4.161 -11.624 1.00 0.00 H new ATOM 0 HA GLU A 3 3.765 -1.650 -12.696 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.734 -3.383 -10.431 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.919 -1.950 -11.023 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.585 -4.339 -12.774 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.062 -4.155 -11.927 1.00 0.00 H new ATOM 45 N GLU A 4 4.289 0.066 -10.970 1.00 0.00 N ATOM 46 CA GLU A 4 4.877 1.131 -10.155 1.00 0.00 C ATOM 47 C GLU A 4 4.506 1.011 -8.684 1.00 0.00 C ATOM 48 O GLU A 4 5.263 1.421 -7.813 1.00 0.00 O ATOM 49 CB GLU A 4 4.431 2.493 -10.688 1.00 0.00 C ATOM 50 CG GLU A 4 4.997 2.820 -12.057 1.00 0.00 C ATOM 51 CD GLU A 4 6.506 2.879 -12.044 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.051 3.922 -11.632 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.152 1.879 -12.423 1.00 0.00 O ATOM 0 H GLU A 4 3.736 0.408 -11.756 1.00 0.00 H new ATOM 0 HA GLU A 4 5.960 1.033 -10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.342 2.516 -10.738 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.734 3.267 -9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.669 2.067 -12.774 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.599 3.777 -12.395 1.00 0.00 H new ATOM 60 N TRP A 5 3.337 0.453 -8.428 1.00 0.00 N ATOM 61 CA TRP A 5 2.838 0.279 -7.072 1.00 0.00 C ATOM 62 C TRP A 5 3.146 -1.125 -6.552 1.00 0.00 C ATOM 63 O TRP A 5 3.415 -1.316 -5.366 1.00 0.00 O ATOM 64 CB TRP A 5 1.324 0.544 -7.051 1.00 0.00 C ATOM 65 CG TRP A 5 0.619 -0.004 -8.257 1.00 0.00 C ATOM 66 CD1 TRP A 5 0.504 0.604 -9.475 1.00 0.00 C ATOM 67 CD2 TRP A 5 -0.059 -1.261 -8.372 1.00 0.00 C ATOM 68 NE1 TRP A 5 -0.184 -0.205 -10.342 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.546 -1.350 -9.691 1.00 0.00 C ATOM 70 CE3 TRP A 5 -0.297 -2.322 -7.497 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -1.254 -2.458 -10.149 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -1.004 -3.414 -7.952 1.00 0.00 C ATOM 73 CH2 TRP A 5 -1.473 -3.477 -9.267 1.00 0.00 C ATOM 0 H TRP A 5 2.706 0.108 -9.151 1.00 0.00 H new ATOM 0 HA TRP A 5 3.338 0.991 -6.416 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.895 0.100 -6.153 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.149 1.618 -6.991 1.00 0.00 H new ATOM 0 HD1 TRP A 5 0.898 1.580 -9.719 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -0.392 0.013 -11.316 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.067 -2.288 -6.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.617 -2.510 -11.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.199 -4.236 -7.280 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -2.020 -4.350 -9.592 1.00 0.00 H new ATOM 84 N TYR A 6 3.119 -2.091 -7.463 1.00 0.00 N ATOM 85 CA TYR A 6 3.266 -3.503 -7.129 1.00 0.00 C ATOM 86 C TYR A 6 4.734 -3.858 -6.910 1.00 0.00 C ATOM 87 O TYR A 6 5.455 -4.175 -7.858 1.00 0.00 O ATOM 88 CB TYR A 6 2.689 -4.345 -8.272 1.00 0.00 C ATOM 89 CG TYR A 6 2.235 -5.734 -7.884 1.00 0.00 C ATOM 90 CD1 TYR A 6 1.074 -5.918 -7.146 1.00 0.00 C ATOM 91 CD2 TYR A 6 2.939 -6.860 -8.290 1.00 0.00 C ATOM 92 CE1 TYR A 6 0.627 -7.181 -6.822 1.00 0.00 C ATOM 93 CE2 TYR A 6 2.502 -8.131 -7.962 1.00 0.00 C ATOM 94 CZ TYR A 6 1.344 -8.285 -7.231 1.00 0.00 C ATOM 95 OH TYR A 6 0.885 -9.543 -6.923 1.00 0.00 O ATOM 0 H TYR A 6 2.994 -1.916 -8.460 1.00 0.00 H new ATOM 0 HA TYR A 6 2.727 -3.710 -6.204 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.842 -3.811 -8.704 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.443 -4.432 -9.054 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.511 -5.056 -6.820 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.842 -6.742 -8.871 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.281 -7.305 -6.250 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.065 -8.997 -8.277 1.00 0.00 H new ATOM 0 HH TYR A 6 1.502 -10.214 -7.283 1.00 0.00 H new ATOM 105 N PHE A 7 5.170 -3.805 -5.662 1.00 0.00 N ATOM 106 CA PHE A 7 6.550 -4.125 -5.325 1.00 0.00 C ATOM 107 C PHE A 7 6.758 -5.630 -5.237 1.00 0.00 C ATOM 108 O PHE A 7 7.882 -6.120 -5.353 1.00 0.00 O ATOM 109 CB PHE A 7 6.951 -3.452 -4.013 1.00 0.00 C ATOM 110 CG PHE A 7 7.353 -2.012 -4.174 1.00 0.00 C ATOM 111 CD1 PHE A 7 6.430 -1.055 -4.566 1.00 0.00 C ATOM 112 CD2 PHE A 7 8.662 -1.619 -3.940 1.00 0.00 C ATOM 113 CE1 PHE A 7 6.806 0.266 -4.721 1.00 0.00 C ATOM 114 CE2 PHE A 7 9.041 -0.301 -4.094 1.00 0.00 C ATOM 115 CZ PHE A 7 8.112 0.643 -4.483 1.00 0.00 C ATOM 0 H PHE A 7 4.590 -3.544 -4.865 1.00 0.00 H new ATOM 0 HA PHE A 7 7.188 -3.743 -6.122 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.117 -3.512 -3.314 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.779 -4.004 -3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.406 -1.345 -4.752 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.393 -2.353 -3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.078 1.003 -5.028 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.064 -0.008 -3.910 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.407 1.675 -4.601 1.00 0.00 H new ATOM 125 N GLY A 8 5.675 -6.361 -5.030 1.00 0.00 N ATOM 126 CA GLY A 8 5.753 -7.807 -5.010 1.00 0.00 C ATOM 127 C GLY A 8 6.036 -8.355 -3.628 1.00 0.00 C ATOM 128 O GLY A 8 5.797 -7.681 -2.623 1.00 0.00 O ATOM 0 H GLY A 8 4.742 -5.979 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.815 -8.223 -5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.536 -8.135 -5.694 1.00 0.00 H new ATOM 132 N LYS A 9 6.562 -9.574 -3.572 1.00 0.00 N ATOM 133 CA LYS A 9 6.830 -10.248 -2.302 1.00 0.00 C ATOM 134 C LYS A 9 8.120 -9.747 -1.654 1.00 0.00 C ATOM 135 O LYS A 9 9.014 -10.534 -1.351 1.00 0.00 O ATOM 136 CB LYS A 9 6.920 -11.765 -2.503 1.00 0.00 C ATOM 137 CG LYS A 9 5.672 -12.389 -3.103 1.00 0.00 C ATOM 138 CD LYS A 9 5.772 -13.903 -3.136 1.00 0.00 C ATOM 139 CE LYS A 9 4.579 -14.533 -3.838 1.00 0.00 C ATOM 140 NZ LYS A 9 3.285 -14.151 -3.214 1.00 0.00 N ATOM 0 H LYS A 9 6.813 -10.120 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 9 5.998 -10.016 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.769 -11.985 -3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.122 -12.236 -1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.799 -12.093 -2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.524 -12.010 -4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.690 -14.196 -3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.838 -14.285 -2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.577 -14.231 -4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.682 -15.618 -3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.524 -14.744 -3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.341 -14.290 -2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.083 -13.151 -3.417 1.00 0.00 H new ATOM 154 N ILE A 10 8.219 -8.442 -1.448 1.00 0.00 N ATOM 155 CA ILE A 10 9.338 -7.879 -0.707 1.00 0.00 C ATOM 156 C ILE A 10 9.098 -8.095 0.783 1.00 0.00 C ATOM 157 O ILE A 10 7.950 -8.212 1.215 1.00 0.00 O ATOM 158 CB ILE A 10 9.528 -6.368 -0.987 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.296 -5.568 -0.557 1.00 0.00 C ATOM 160 CG2 ILE A 10 9.820 -6.130 -2.460 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.449 -4.073 -0.753 1.00 0.00 C ATOM 0 H ILE A 10 7.542 -7.756 -1.782 1.00 0.00 H new ATOM 0 HA ILE A 10 10.247 -8.385 -1.032 1.00 0.00 H new ATOM 0 HB ILE A 10 10.380 -6.025 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.432 -5.914 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.090 -5.770 0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.950 -5.062 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.731 -6.658 -2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.988 -6.498 -3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.539 -3.568 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.293 -3.713 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.625 -3.860 -1.808 1.00 0.00 H new ATOM 173 N THR A 11 10.162 -8.157 1.564 1.00 0.00 N ATOM 174 CA THR A 11 10.021 -8.400 2.990 1.00 0.00 C ATOM 175 C THR A 11 9.732 -7.098 3.736 1.00 0.00 C ATOM 176 O THR A 11 10.094 -6.023 3.248 1.00 0.00 O ATOM 177 CB THR A 11 11.266 -9.090 3.579 1.00 0.00 C ATOM 178 OG1 THR A 11 12.447 -8.337 3.286 1.00 0.00 O ATOM 179 CG2 THR A 11 11.408 -10.499 3.025 1.00 0.00 C ATOM 0 H THR A 11 11.123 -8.044 1.241 1.00 0.00 H new ATOM 0 HA THR A 11 9.175 -9.075 3.121 1.00 0.00 H new ATOM 0 HB THR A 11 11.140 -9.144 4.660 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.664 -8.426 2.335 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.293 -10.971 3.452 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.525 -11.083 3.284 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.508 -10.455 1.941 1.00 0.00 H new ATOM 187 N ARG A 12 9.077 -7.179 4.891 1.00 0.00 N ATOM 188 CA ARG A 12 8.573 -5.978 5.560 1.00 0.00 C ATOM 189 C ARG A 12 9.685 -4.969 5.840 1.00 0.00 C ATOM 190 O ARG A 12 9.491 -3.765 5.654 1.00 0.00 O ATOM 191 CB ARG A 12 7.841 -6.320 6.862 1.00 0.00 C ATOM 192 CG ARG A 12 8.723 -6.923 7.943 1.00 0.00 C ATOM 193 CD ARG A 12 8.053 -6.834 9.300 1.00 0.00 C ATOM 194 NE ARG A 12 8.846 -7.460 10.354 1.00 0.00 N ATOM 195 CZ ARG A 12 9.334 -6.805 11.408 1.00 0.00 C ATOM 196 NH1 ARG A 12 9.274 -5.476 11.460 1.00 0.00 N ATOM 197 NH2 ARG A 12 9.932 -7.479 12.383 1.00 0.00 N ATOM 0 H ARG A 12 8.883 -8.052 5.381 1.00 0.00 H new ATOM 0 HA ARG A 12 7.863 -5.521 4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.378 -5.414 7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.035 -7.018 6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.935 -7.965 7.705 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.680 -6.401 7.970 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.883 -5.787 9.550 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.075 -7.313 9.252 1.00 0.00 H new ATOM 0 HE ARG A 12 9.038 -8.459 10.280 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.853 -4.954 10.691 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.649 -4.980 12.269 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.017 -8.494 12.324 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.307 -6.982 13.191 1.00 0.00 H new ATOM 211 N ARG A 13 10.854 -5.458 6.250 1.00 0.00 N ATOM 212 CA ARG A 13 11.965 -4.578 6.597 1.00 0.00 C ATOM 213 C ARG A 13 12.376 -3.733 5.401 1.00 0.00 C ATOM 214 O ARG A 13 12.759 -2.578 5.554 1.00 0.00 O ATOM 215 CB ARG A 13 13.166 -5.381 7.107 1.00 0.00 C ATOM 216 CG ARG A 13 14.348 -4.512 7.522 1.00 0.00 C ATOM 217 CD ARG A 13 13.976 -3.537 8.633 1.00 0.00 C ATOM 218 NE ARG A 13 13.732 -4.216 9.903 1.00 0.00 N ATOM 219 CZ ARG A 13 13.076 -3.674 10.932 1.00 0.00 C ATOM 220 NH1 ARG A 13 12.569 -2.447 10.841 1.00 0.00 N ATOM 221 NH2 ARG A 13 12.932 -4.363 12.056 1.00 0.00 N ATOM 0 H ARG A 13 11.055 -6.453 6.349 1.00 0.00 H new ATOM 0 HA ARG A 13 11.627 -3.918 7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.853 -5.986 7.958 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.489 -6.071 6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.166 -5.149 7.857 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.711 -3.956 6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.778 -2.810 8.760 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.085 -2.981 8.343 1.00 0.00 H new ATOM 0 HE ARG A 13 14.086 -5.167 10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.680 -1.912 9.980 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.069 -2.042 11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.322 -5.303 12.132 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.432 -3.953 12.845 1.00 0.00 H new ATOM 235 N GLU A 14 12.283 -4.315 4.215 1.00 0.00 N ATOM 236 CA GLU A 14 12.597 -3.598 2.987 1.00 0.00 C ATOM 237 C GLU A 14 11.598 -2.469 2.766 1.00 0.00 C ATOM 238 O GLU A 14 11.969 -1.364 2.370 1.00 0.00 O ATOM 239 CB GLU A 14 12.595 -4.555 1.793 1.00 0.00 C ATOM 240 CG GLU A 14 13.630 -5.662 1.915 1.00 0.00 C ATOM 241 CD GLU A 14 13.583 -6.640 0.761 1.00 0.00 C ATOM 242 OE1 GLU A 14 12.740 -7.566 0.796 1.00 0.00 O ATOM 243 OE2 GLU A 14 14.389 -6.491 -0.182 1.00 0.00 O ATOM 0 H GLU A 14 11.992 -5.283 4.076 1.00 0.00 H new ATOM 0 HA GLU A 14 13.594 -3.168 3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.605 -5.000 1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.783 -3.989 0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.624 -5.219 1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.470 -6.201 2.849 1.00 0.00 H new ATOM 250 N SER A 15 10.331 -2.747 3.055 1.00 0.00 N ATOM 251 CA SER A 15 9.282 -1.746 2.936 1.00 0.00 C ATOM 252 C SER A 15 9.490 -0.636 3.966 1.00 0.00 C ATOM 253 O SER A 15 9.449 0.551 3.637 1.00 0.00 O ATOM 254 CB SER A 15 7.914 -2.399 3.134 1.00 0.00 C ATOM 255 OG SER A 15 7.775 -3.539 2.306 1.00 0.00 O ATOM 0 H SER A 15 10.007 -3.660 3.374 1.00 0.00 H new ATOM 0 HA SER A 15 9.325 -1.308 1.939 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.791 -2.686 4.178 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.127 -1.680 2.906 1.00 0.00 H new ATOM 0 HG SER A 15 7.014 -3.414 1.702 1.00 0.00 H new ATOM 261 N GLU A 16 9.737 -1.038 5.210 1.00 0.00 N ATOM 262 CA GLU A 16 9.966 -0.097 6.298 1.00 0.00 C ATOM 263 C GLU A 16 11.225 0.730 6.039 1.00 0.00 C ATOM 264 O GLU A 16 11.243 1.936 6.268 1.00 0.00 O ATOM 265 CB GLU A 16 10.078 -0.846 7.633 1.00 0.00 C ATOM 266 CG GLU A 16 8.813 -1.607 8.008 1.00 0.00 C ATOM 267 CD GLU A 16 8.913 -2.298 9.355 1.00 0.00 C ATOM 268 OE1 GLU A 16 8.807 -1.600 10.387 1.00 0.00 O ATOM 269 OE2 GLU A 16 9.075 -3.534 9.388 1.00 0.00 O ATOM 0 H GLU A 16 9.783 -2.018 5.489 1.00 0.00 H new ATOM 0 HA GLU A 16 9.117 0.584 6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.912 -1.546 7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.311 -0.132 8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.971 -0.915 8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.602 -2.350 7.239 1.00 0.00 H new ATOM 276 N ARG A 17 12.262 0.077 5.521 1.00 0.00 N ATOM 277 CA ARG A 17 13.529 0.739 5.214 1.00 0.00 C ATOM 278 C ARG A 17 13.327 1.898 4.240 1.00 0.00 C ATOM 279 O ARG A 17 14.045 2.894 4.290 1.00 0.00 O ATOM 280 CB ARG A 17 14.513 -0.273 4.615 1.00 0.00 C ATOM 281 CG ARG A 17 15.855 0.319 4.219 1.00 0.00 C ATOM 282 CD ARG A 17 16.766 -0.738 3.617 1.00 0.00 C ATOM 283 NE ARG A 17 17.071 -1.807 4.569 1.00 0.00 N ATOM 284 CZ ARG A 17 17.112 -3.098 4.253 1.00 0.00 C ATOM 285 NH1 ARG A 17 16.853 -3.491 3.009 1.00 0.00 N ATOM 286 NH2 ARG A 17 17.416 -3.993 5.183 1.00 0.00 N ATOM 0 H ARG A 17 12.250 -0.919 5.303 1.00 0.00 H new ATOM 0 HA ARG A 17 13.934 1.141 6.143 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.680 -1.071 5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.057 -0.729 3.736 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.702 1.124 3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.333 0.760 5.094 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.292 -1.164 2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 17 17.694 -0.271 3.287 1.00 0.00 H new ATOM 0 HE ARG A 17 17.264 -1.545 5.536 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.622 -2.801 2.294 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.885 -4.482 2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 17 17.617 -3.690 6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.449 -4.984 4.945 1.00 0.00 H new ATOM 300 N LEU A 18 12.349 1.761 3.358 1.00 0.00 N ATOM 301 CA LEU A 18 12.077 2.783 2.360 1.00 0.00 C ATOM 302 C LEU A 18 11.173 3.880 2.918 1.00 0.00 C ATOM 303 O LEU A 18 11.382 5.065 2.651 1.00 0.00 O ATOM 304 CB LEU A 18 11.429 2.153 1.125 1.00 0.00 C ATOM 305 CG LEU A 18 12.274 1.093 0.414 1.00 0.00 C ATOM 306 CD1 LEU A 18 11.497 0.476 -0.737 1.00 0.00 C ATOM 307 CD2 LEU A 18 13.575 1.695 -0.093 1.00 0.00 C ATOM 0 H LEU A 18 11.730 0.951 3.313 1.00 0.00 H new ATOM 0 HA LEU A 18 13.027 3.237 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.483 1.701 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.195 2.945 0.414 1.00 0.00 H new ATOM 0 HG LEU A 18 12.513 0.309 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.113 -0.275 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.591 0.007 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.229 1.253 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.161 0.925 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.355 2.499 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.144 2.093 0.747 1.00 0.00 H new ATOM 319 N LEU A 19 10.183 3.489 3.710 1.00 0.00 N ATOM 320 CA LEU A 19 9.174 4.432 4.188 1.00 0.00 C ATOM 321 C LEU A 19 9.663 5.248 5.383 1.00 0.00 C ATOM 322 O LEU A 19 9.216 6.378 5.587 1.00 0.00 O ATOM 323 CB LEU A 19 7.882 3.701 4.559 1.00 0.00 C ATOM 324 CG LEU A 19 7.266 2.844 3.451 1.00 0.00 C ATOM 325 CD1 LEU A 19 5.945 2.256 3.918 1.00 0.00 C ATOM 326 CD2 LEU A 19 7.069 3.657 2.177 1.00 0.00 C ATOM 0 H LEU A 19 10.055 2.531 4.035 1.00 0.00 H new ATOM 0 HA LEU A 19 8.979 5.124 3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.081 3.062 5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.145 4.440 4.874 1.00 0.00 H new ATOM 0 HG LEU A 19 7.954 2.029 3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.516 1.648 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.114 1.635 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.257 3.063 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.630 3.024 1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.404 4.496 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.032 4.033 1.833 1.00 0.00 H new ATOM 338 N LEU A 20 10.578 4.689 6.172 1.00 0.00 N ATOM 339 CA LEU A 20 11.095 5.384 7.352 1.00 0.00 C ATOM 340 C LEU A 20 12.161 6.412 6.979 1.00 0.00 C ATOM 341 O LEU A 20 13.250 6.433 7.555 1.00 0.00 O ATOM 342 CB LEU A 20 11.663 4.394 8.379 1.00 0.00 C ATOM 343 CG LEU A 20 10.656 3.815 9.382 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.921 4.928 10.110 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.669 2.891 8.696 1.00 0.00 C ATOM 0 H LEU A 20 10.976 3.762 6.018 1.00 0.00 H new ATOM 0 HA LEU A 20 10.253 5.910 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.126 3.567 7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.455 4.894 8.937 1.00 0.00 H new ATOM 0 HG LEU A 20 11.214 3.231 10.114 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.212 4.495 10.816 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.639 5.546 10.649 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.384 5.543 9.388 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.968 2.496 9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.121 3.445 7.934 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.207 2.066 8.228 1.00 0.00 H new ATOM 357 N ASN A 21 11.836 7.264 6.016 1.00 0.00 N ATOM 358 CA ASN A 21 12.726 8.335 5.599 1.00 0.00 C ATOM 359 C ASN A 21 11.926 9.618 5.431 1.00 0.00 C ATOM 360 O ASN A 21 10.816 9.592 4.895 1.00 0.00 O ATOM 361 CB ASN A 21 13.432 7.995 4.281 1.00 0.00 C ATOM 362 CG ASN A 21 14.316 6.768 4.385 1.00 0.00 C ATOM 363 OD1 ASN A 21 15.479 6.856 4.782 1.00 0.00 O ATOM 364 ND2 ASN A 21 13.783 5.622 4.002 1.00 0.00 N ATOM 0 H ASN A 21 10.953 7.232 5.506 1.00 0.00 H new ATOM 0 HA ASN A 21 13.488 8.465 6.367 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.684 7.833 3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.036 8.847 3.968 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.339 4.767 4.029 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.816 5.592 3.680 1.00 0.00 H new ATOM 371 N PRO A 22 12.483 10.760 5.868 1.00 0.00 N ATOM 372 CA PRO A 22 11.799 12.065 5.812 1.00 0.00 C ATOM 373 C PRO A 22 11.699 12.623 4.390 1.00 0.00 C ATOM 374 O PRO A 22 11.408 13.805 4.189 1.00 0.00 O ATOM 375 CB PRO A 22 12.691 12.961 6.672 1.00 0.00 C ATOM 376 CG PRO A 22 14.046 12.358 6.551 1.00 0.00 C ATOM 377 CD PRO A 22 13.829 10.873 6.464 1.00 0.00 C ATOM 0 HA PRO A 22 10.767 11.996 6.157 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.681 13.991 6.316 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.355 12.979 7.709 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.562 12.730 5.666 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.665 12.613 7.411 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.585 10.392 5.844 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.875 10.402 7.446 1.00 0.00 H new ATOM 385 N GLU A 23 11.949 11.770 3.412 1.00 0.00 N ATOM 386 CA GLU A 23 11.859 12.154 2.012 1.00 0.00 C ATOM 387 C GLU A 23 10.507 11.739 1.451 1.00 0.00 C ATOM 388 O GLU A 23 10.193 11.988 0.285 1.00 0.00 O ATOM 389 CB GLU A 23 12.980 11.486 1.218 1.00 0.00 C ATOM 390 CG GLU A 23 14.355 11.670 1.836 1.00 0.00 C ATOM 391 CD GLU A 23 15.442 10.986 1.041 1.00 0.00 C ATOM 392 OE1 GLU A 23 15.470 9.744 1.009 1.00 0.00 O ATOM 393 OE2 GLU A 23 16.275 11.693 0.434 1.00 0.00 O ATOM 0 H GLU A 23 12.218 10.798 3.563 1.00 0.00 H new ATOM 0 HA GLU A 23 11.962 13.236 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.769 10.420 1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.988 11.891 0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.578 12.735 1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.349 11.275 2.852 1.00 0.00 H new ATOM 400 N ASN A 24 9.708 11.099 2.291 1.00 0.00 N ATOM 401 CA ASN A 24 8.405 10.604 1.882 1.00 0.00 C ATOM 402 C ASN A 24 7.299 11.410 2.549 1.00 0.00 C ATOM 403 O ASN A 24 7.144 11.365 3.768 1.00 0.00 O ATOM 404 CB ASN A 24 8.250 9.120 2.240 1.00 0.00 C ATOM 405 CG ASN A 24 9.334 8.254 1.629 1.00 0.00 C ATOM 406 OD1 ASN A 24 9.233 7.830 0.478 1.00 0.00 O ATOM 407 ND2 ASN A 24 10.366 7.966 2.402 1.00 0.00 N ATOM 0 H ASN A 24 9.942 10.910 3.266 1.00 0.00 H new ATOM 0 HA ASN A 24 8.326 10.714 0.800 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.269 9.008 3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.276 8.769 1.901 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.117 7.372 2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.412 8.338 3.351 1.00 0.00 H new ATOM 414 N PRO A 25 6.533 12.179 1.762 1.00 0.00 N ATOM 415 CA PRO A 25 5.382 12.925 2.271 1.00 0.00 C ATOM 416 C PRO A 25 4.283 11.987 2.764 1.00 0.00 C ATOM 417 O PRO A 25 4.216 10.823 2.350 1.00 0.00 O ATOM 418 CB PRO A 25 4.901 13.730 1.057 1.00 0.00 C ATOM 419 CG PRO A 25 5.445 13.011 -0.128 1.00 0.00 C ATOM 420 CD PRO A 25 6.733 12.381 0.317 1.00 0.00 C ATOM 0 HA PRO A 25 5.640 13.552 3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.813 13.779 1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.265 14.757 1.096 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.743 12.255 -0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.614 13.699 -0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.919 11.439 -0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.587 13.028 0.116 1.00 0.00 H new ATOM 428 N ARG A 26 3.434 12.499 3.651 1.00 0.00 N ATOM 429 CA ARG A 26 2.355 11.710 4.238 1.00 0.00 C ATOM 430 C ARG A 26 1.378 11.270 3.149 1.00 0.00 C ATOM 431 O ARG A 26 0.521 12.043 2.718 1.00 0.00 O ATOM 432 CB ARG A 26 1.630 12.538 5.305 1.00 0.00 C ATOM 433 CG ARG A 26 0.901 11.706 6.348 1.00 0.00 C ATOM 434 CD ARG A 26 0.272 12.592 7.416 1.00 0.00 C ATOM 435 NE ARG A 26 -0.108 11.831 8.607 1.00 0.00 N ATOM 436 CZ ARG A 26 -0.893 12.300 9.576 1.00 0.00 C ATOM 437 NH1 ARG A 26 -1.419 13.517 9.487 1.00 0.00 N ATOM 438 NH2 ARG A 26 -1.151 11.544 10.631 1.00 0.00 N ATOM 0 H ARG A 26 3.473 13.463 3.981 1.00 0.00 H new ATOM 0 HA ARG A 26 2.774 10.820 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.355 13.177 5.808 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.912 13.195 4.814 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.128 11.109 5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.598 11.009 6.814 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.975 13.376 7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.609 13.085 7.005 1.00 0.00 H new ATOM 0 HE ARG A 26 0.251 10.881 8.701 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.223 14.099 8.673 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.019 13.869 10.233 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.750 10.609 10.699 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.751 11.897 11.377 1.00 0.00 H new ATOM 452 N GLY A 27 1.521 10.028 2.708 1.00 0.00 N ATOM 453 CA GLY A 27 0.733 9.535 1.594 1.00 0.00 C ATOM 454 C GLY A 27 1.560 8.695 0.638 1.00 0.00 C ATOM 455 O GLY A 27 1.048 8.207 -0.371 1.00 0.00 O ATOM 0 H GLY A 27 2.172 9.349 3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.098 8.940 1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.301 10.378 1.055 1.00 0.00 H new ATOM 459 N THR A 28 2.846 8.553 0.948 1.00 0.00 N ATOM 460 CA THR A 28 3.735 7.676 0.192 1.00 0.00 C ATOM 461 C THR A 28 3.411 6.215 0.491 1.00 0.00 C ATOM 462 O THR A 28 3.414 5.804 1.651 1.00 0.00 O ATOM 463 CB THR A 28 5.210 7.952 0.547 1.00 0.00 C ATOM 464 OG1 THR A 28 5.513 9.337 0.325 1.00 0.00 O ATOM 465 CG2 THR A 28 6.147 7.084 -0.279 1.00 0.00 C ATOM 0 H THR A 28 3.298 9.038 1.723 1.00 0.00 H new ATOM 0 HA THR A 28 3.583 7.876 -0.869 1.00 0.00 H new ATOM 0 HB THR A 28 5.357 7.708 1.599 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.075 9.882 1.012 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.180 7.301 -0.006 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.934 6.033 -0.086 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.000 7.295 -1.338 1.00 0.00 H new ATOM 473 N PHE A 29 3.136 5.431 -0.543 1.00 0.00 N ATOM 474 CA PHE A 29 2.687 4.060 -0.341 1.00 0.00 C ATOM 475 C PHE A 29 3.449 3.072 -1.215 1.00 0.00 C ATOM 476 O PHE A 29 4.149 3.459 -2.154 1.00 0.00 O ATOM 477 CB PHE A 29 1.192 3.949 -0.652 1.00 0.00 C ATOM 478 CG PHE A 29 0.864 4.080 -2.119 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.794 5.324 -2.721 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.628 2.953 -2.890 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.495 5.442 -4.067 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.329 3.064 -4.234 1.00 0.00 C ATOM 483 CZ PHE A 29 0.263 4.309 -4.821 1.00 0.00 C ATOM 0 H PHE A 29 3.215 5.716 -1.519 1.00 0.00 H new ATOM 0 HA PHE A 29 2.878 3.809 0.702 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.826 2.988 -0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.657 4.721 -0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.975 6.212 -2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.678 1.975 -2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.443 6.418 -4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.147 2.177 -4.823 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.030 4.398 -5.872 1.00 0.00 H new ATOM 493 N LEU A 30 3.300 1.795 -0.879 1.00 0.00 N ATOM 494 CA LEU A 30 3.776 0.692 -1.706 1.00 0.00 C ATOM 495 C LEU A 30 3.034 -0.581 -1.300 1.00 0.00 C ATOM 496 O LEU A 30 2.723 -0.767 -0.124 1.00 0.00 O ATOM 497 CB LEU A 30 5.299 0.502 -1.575 1.00 0.00 C ATOM 498 CG LEU A 30 5.801 -0.280 -0.349 1.00 0.00 C ATOM 499 CD1 LEU A 30 7.308 -0.464 -0.426 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.435 0.427 0.947 1.00 0.00 C ATOM 0 H LEU A 30 2.842 1.494 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 30 3.574 0.920 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.655 -0.007 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.764 1.488 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 30 5.315 -1.256 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.652 -1.019 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.561 -1.017 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.793 0.512 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.804 -0.152 1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.887 1.419 0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.351 0.521 1.017 1.00 0.00 H new ATOM 512 N VAL A 31 2.719 -1.442 -2.255 1.00 0.00 N ATOM 513 CA VAL A 31 2.014 -2.672 -1.931 1.00 0.00 C ATOM 514 C VAL A 31 2.938 -3.879 -2.033 1.00 0.00 C ATOM 515 O VAL A 31 3.456 -4.210 -3.105 1.00 0.00 O ATOM 516 CB VAL A 31 0.739 -2.878 -2.794 1.00 0.00 C ATOM 517 CG1 VAL A 31 1.038 -2.730 -4.267 1.00 0.00 C ATOM 518 CG2 VAL A 31 0.105 -4.233 -2.518 1.00 0.00 C ATOM 0 H VAL A 31 2.936 -1.316 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 31 1.683 -2.575 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 31 0.029 -2.100 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.124 -2.880 -4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.428 -1.731 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.779 -3.472 -4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.785 -4.351 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.818 -5.023 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.172 -4.298 -1.466 1.00 0.00 H new ATOM 528 N ARG A 32 3.159 -4.511 -0.895 1.00 0.00 N ATOM 529 CA ARG A 32 3.972 -5.709 -0.823 1.00 0.00 C ATOM 530 C ARG A 32 3.079 -6.929 -0.668 1.00 0.00 C ATOM 531 O ARG A 32 1.934 -6.819 -0.228 1.00 0.00 O ATOM 532 CB ARG A 32 4.946 -5.632 0.360 1.00 0.00 C ATOM 533 CG ARG A 32 4.261 -5.601 1.720 1.00 0.00 C ATOM 534 CD ARG A 32 5.245 -5.834 2.859 1.00 0.00 C ATOM 535 NE ARG A 32 5.927 -7.123 2.737 1.00 0.00 N ATOM 536 CZ ARG A 32 5.880 -8.098 3.653 1.00 0.00 C ATOM 537 NH1 ARG A 32 5.215 -7.929 4.789 1.00 0.00 N ATOM 538 NH2 ARG A 32 6.518 -9.242 3.428 1.00 0.00 N ATOM 0 H ARG A 32 2.781 -4.209 0.003 1.00 0.00 H new ATOM 0 HA ARG A 32 4.547 -5.792 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.618 -6.489 0.322 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.562 -4.739 0.254 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.770 -4.638 1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.483 -6.363 1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.984 -5.032 2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.715 -5.792 3.811 1.00 0.00 H new ATOM 0 HE ARG A 32 6.477 -7.290 1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.733 -7.049 4.972 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.186 -8.679 5.480 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.040 -9.373 2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.486 -9.989 4.122 1.00 0.00 H new ATOM 552 N GLU A 33 3.594 -8.082 -1.042 1.00 0.00 N ATOM 553 CA GLU A 33 2.889 -9.331 -0.837 1.00 0.00 C ATOM 554 C GLU A 33 3.375 -9.987 0.442 1.00 0.00 C ATOM 555 O GLU A 33 4.578 -9.995 0.719 1.00 0.00 O ATOM 556 CB GLU A 33 3.125 -10.282 -2.002 1.00 0.00 C ATOM 557 CG GLU A 33 2.688 -9.742 -3.346 1.00 0.00 C ATOM 558 CD GLU A 33 2.972 -10.724 -4.457 1.00 0.00 C ATOM 559 OE1 GLU A 33 2.539 -11.890 -4.341 1.00 0.00 O ATOM 560 OE2 GLU A 33 3.652 -10.352 -5.431 1.00 0.00 O ATOM 0 H GLU A 33 4.504 -8.180 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 33 1.823 -9.115 -0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.187 -10.524 -2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.594 -11.214 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.621 -9.519 -3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.205 -8.804 -3.548 1.00 0.00 H new ATOM 567 N SER A 34 2.457 -10.525 1.225 1.00 0.00 N ATOM 568 CA SER A 34 2.840 -11.242 2.421 1.00 0.00 C ATOM 569 C SER A 34 3.218 -12.670 2.055 1.00 0.00 C ATOM 570 O SER A 34 2.413 -13.434 1.517 1.00 0.00 O ATOM 571 CB SER A 34 1.710 -11.225 3.455 1.00 0.00 C ATOM 572 OG SER A 34 2.158 -11.705 4.718 1.00 0.00 O ATOM 0 H SER A 34 1.452 -10.479 1.054 1.00 0.00 H new ATOM 0 HA SER A 34 3.702 -10.749 2.870 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.329 -10.210 3.564 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.882 -11.840 3.102 1.00 0.00 H new ATOM 0 HG SER A 34 1.471 -11.534 5.395 1.00 0.00 H new ATOM 578 N GLU A 35 4.471 -12.996 2.326 1.00 0.00 N ATOM 579 CA GLU A 35 5.028 -14.305 2.025 1.00 0.00 C ATOM 580 C GLU A 35 4.305 -15.400 2.806 1.00 0.00 C ATOM 581 O GLU A 35 4.024 -16.475 2.278 1.00 0.00 O ATOM 582 CB GLU A 35 6.535 -14.320 2.342 1.00 0.00 C ATOM 583 CG GLU A 35 6.887 -14.176 3.828 1.00 0.00 C ATOM 584 CD GLU A 35 6.418 -12.870 4.452 1.00 0.00 C ATOM 585 OE1 GLU A 35 7.144 -11.859 4.354 1.00 0.00 O ATOM 586 OE2 GLU A 35 5.313 -12.852 5.041 1.00 0.00 O ATOM 0 H GLU A 35 5.134 -12.356 2.763 1.00 0.00 H new ATOM 0 HA GLU A 35 4.888 -14.504 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.959 -15.254 1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.015 -13.512 1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.446 -15.008 4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.968 -14.254 3.944 1.00 0.00 H new ATOM 593 N THR A 36 3.997 -15.100 4.058 1.00 0.00 N ATOM 594 CA THR A 36 3.356 -16.050 4.947 1.00 0.00 C ATOM 595 C THR A 36 1.839 -16.037 4.773 1.00 0.00 C ATOM 596 O THR A 36 1.248 -17.020 4.321 1.00 0.00 O ATOM 597 CB THR A 36 3.719 -15.740 6.411 1.00 0.00 C ATOM 598 OG1 THR A 36 3.715 -14.319 6.626 1.00 0.00 O ATOM 599 CG2 THR A 36 5.085 -16.309 6.769 1.00 0.00 C ATOM 0 H THR A 36 4.185 -14.192 4.484 1.00 0.00 H new ATOM 0 HA THR A 36 3.719 -17.045 4.689 1.00 0.00 H new ATOM 0 HB THR A 36 2.973 -16.209 7.052 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.544 -13.933 6.274 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.316 -16.075 7.808 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.075 -17.391 6.634 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.843 -15.869 6.121 1.00 0.00 H new ATOM 607 N THR A 37 1.215 -14.920 5.127 1.00 0.00 N ATOM 608 CA THR A 37 -0.228 -14.790 5.036 1.00 0.00 C ATOM 609 C THR A 37 -0.653 -14.544 3.595 1.00 0.00 C ATOM 610 O THR A 37 -0.703 -13.406 3.125 1.00 0.00 O ATOM 611 CB THR A 37 -0.737 -13.649 5.935 1.00 0.00 C ATOM 612 OG1 THR A 37 -0.177 -13.789 7.249 1.00 0.00 O ATOM 613 CG2 THR A 37 -2.254 -13.672 6.024 1.00 0.00 C ATOM 0 H THR A 37 1.691 -14.090 5.481 1.00 0.00 H new ATOM 0 HA THR A 37 -0.670 -15.725 5.381 1.00 0.00 H new ATOM 0 HB THR A 37 -0.428 -12.698 5.501 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.499 -13.062 7.821 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.593 -12.858 6.664 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.679 -13.551 5.027 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.579 -14.624 6.444 1.00 0.00 H new ATOM 621 N LYS A 38 -0.948 -15.627 2.898 1.00 0.00 N ATOM 622 CA LYS A 38 -1.347 -15.553 1.507 1.00 0.00 C ATOM 623 C LYS A 38 -2.829 -15.221 1.414 1.00 0.00 C ATOM 624 O LYS A 38 -3.606 -15.545 2.318 1.00 0.00 O ATOM 625 CB LYS A 38 -1.034 -16.873 0.799 1.00 0.00 C ATOM 626 CG LYS A 38 0.420 -17.296 0.945 1.00 0.00 C ATOM 627 CD LYS A 38 0.705 -18.585 0.197 1.00 0.00 C ATOM 628 CE LYS A 38 2.105 -19.102 0.486 1.00 0.00 C ATOM 629 NZ LYS A 38 3.153 -18.092 0.182 1.00 0.00 N ATOM 0 H LYS A 38 -0.918 -16.573 3.277 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.785 -14.762 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.677 -17.656 1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.274 -16.777 -0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.069 -16.505 0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.657 -17.427 2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.028 -19.340 0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.592 -18.417 -0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.174 -19.390 1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.287 -20.000 -0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.007 -18.572 -0.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.803 -17.437 -0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.383 -17.560 1.045 1.00 0.00 H new ATOM 643 N GLY A 39 -3.216 -14.575 0.327 1.00 0.00 N ATOM 644 CA GLY A 39 -4.569 -14.074 0.211 1.00 0.00 C ATOM 645 C GLY A 39 -4.714 -12.739 0.910 1.00 0.00 C ATOM 646 O GLY A 39 -5.824 -12.273 1.170 1.00 0.00 O ATOM 0 H GLY A 39 -2.618 -14.388 -0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.833 -13.968 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.265 -14.793 0.643 1.00 0.00 H new ATOM 650 N ALA A 40 -3.576 -12.134 1.225 1.00 0.00 N ATOM 651 CA ALA A 40 -3.538 -10.846 1.889 1.00 0.00 C ATOM 652 C ALA A 40 -2.293 -10.078 1.473 1.00 0.00 C ATOM 653 O ALA A 40 -1.170 -10.492 1.756 1.00 0.00 O ATOM 654 CB ALA A 40 -3.573 -11.022 3.402 1.00 0.00 C ATOM 0 H ALA A 40 -2.656 -12.526 1.026 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.417 -10.276 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.544 -10.044 3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.489 -11.539 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.711 -11.609 3.720 1.00 0.00 H new ATOM 660 N TYR A 41 -2.498 -8.979 0.771 1.00 0.00 N ATOM 661 CA TYR A 41 -1.403 -8.109 0.381 1.00 0.00 C ATOM 662 C TYR A 41 -1.235 -7.028 1.434 1.00 0.00 C ATOM 663 O TYR A 41 -2.022 -6.959 2.374 1.00 0.00 O ATOM 664 CB TYR A 41 -1.678 -7.486 -0.993 1.00 0.00 C ATOM 665 CG TYR A 41 -1.679 -8.487 -2.128 1.00 0.00 C ATOM 666 CD1 TYR A 41 -2.692 -9.431 -2.253 1.00 0.00 C ATOM 667 CD2 TYR A 41 -0.662 -8.491 -3.073 1.00 0.00 C ATOM 668 CE1 TYR A 41 -2.691 -10.348 -3.284 1.00 0.00 C ATOM 669 CE2 TYR A 41 -0.655 -9.405 -4.108 1.00 0.00 C ATOM 670 CZ TYR A 41 -1.669 -10.332 -4.209 1.00 0.00 C ATOM 671 OH TYR A 41 -1.660 -11.248 -5.239 1.00 0.00 O ATOM 0 H TYR A 41 -3.417 -8.666 0.458 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.483 -8.689 0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.643 -6.981 -0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.925 -6.724 -1.193 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.494 -9.447 -1.530 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.136 -7.768 -2.997 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.486 -11.074 -3.366 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.143 -9.393 -4.836 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.872 -11.099 -5.802 1.00 0.00 H new ATOM 681 N CYS A 42 -0.225 -6.194 1.299 1.00 0.00 N ATOM 682 CA CYS A 42 0.016 -5.156 2.283 1.00 0.00 C ATOM 683 C CYS A 42 0.324 -3.824 1.614 1.00 0.00 C ATOM 684 O CYS A 42 1.427 -3.610 1.109 1.00 0.00 O ATOM 685 CB CYS A 42 1.165 -5.563 3.208 1.00 0.00 C ATOM 686 SG CYS A 42 1.469 -4.404 4.561 1.00 0.00 S ATOM 0 H CYS A 42 0.438 -6.213 0.524 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.891 -5.033 2.875 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.949 -6.546 3.627 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.075 -5.662 2.617 1.00 0.00 H new ATOM 0 HG CYS A 42 2.229 -3.436 4.141 1.00 0.00 H new ATOM 692 N LEU A 43 -0.665 -2.943 1.601 1.00 0.00 N ATOM 693 CA LEU A 43 -0.480 -1.590 1.116 1.00 0.00 C ATOM 694 C LEU A 43 0.049 -0.752 2.271 1.00 0.00 C ATOM 695 O LEU A 43 -0.718 -0.221 3.075 1.00 0.00 O ATOM 696 CB LEU A 43 -1.817 -1.029 0.592 1.00 0.00 C ATOM 697 CG LEU A 43 -1.747 0.208 -0.330 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.175 1.416 0.394 1.00 0.00 C ATOM 699 CD2 LEU A 43 -0.940 -0.093 -1.583 1.00 0.00 C ATOM 0 H LEU A 43 -1.611 -3.147 1.925 1.00 0.00 H new ATOM 0 HA LEU A 43 0.230 -1.569 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.330 -1.825 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.438 -0.776 1.451 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.768 0.450 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.142 2.266 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.806 1.660 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.167 1.189 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.906 0.794 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.074 -0.378 -1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.409 -0.911 -2.130 1.00 0.00 H new ATOM 711 N SER A 44 1.360 -0.678 2.375 1.00 0.00 N ATOM 712 CA SER A 44 1.991 0.070 3.441 1.00 0.00 C ATOM 713 C SER A 44 2.143 1.531 3.036 1.00 0.00 C ATOM 714 O SER A 44 2.763 1.844 2.021 1.00 0.00 O ATOM 715 CB SER A 44 3.349 -0.548 3.776 1.00 0.00 C ATOM 716 OG SER A 44 3.212 -1.924 4.098 1.00 0.00 O ATOM 0 H SER A 44 2.011 -1.129 1.732 1.00 0.00 H new ATOM 0 HA SER A 44 1.364 0.027 4.331 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.024 -0.434 2.928 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.798 -0.017 4.615 1.00 0.00 H new ATOM 0 HG SER A 44 3.242 -2.037 5.071 1.00 0.00 H new ATOM 722 N VAL A 45 1.553 2.418 3.819 1.00 0.00 N ATOM 723 CA VAL A 45 1.601 3.839 3.528 1.00 0.00 C ATOM 724 C VAL A 45 2.298 4.585 4.664 1.00 0.00 C ATOM 725 O VAL A 45 2.102 4.275 5.842 1.00 0.00 O ATOM 726 CB VAL A 45 0.181 4.419 3.289 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.669 4.340 4.549 1.00 0.00 C ATOM 728 CG2 VAL A 45 0.260 5.851 2.779 1.00 0.00 C ATOM 0 H VAL A 45 1.034 2.177 4.663 1.00 0.00 H new ATOM 0 HA VAL A 45 2.172 3.975 2.610 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.301 3.810 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.657 4.754 4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.768 3.299 4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.192 4.910 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.747 6.236 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.773 6.471 3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.811 5.872 1.838 1.00 0.00 H new ATOM 738 N SER A 46 3.140 5.538 4.305 1.00 0.00 N ATOM 739 CA SER A 46 3.864 6.321 5.286 1.00 0.00 C ATOM 740 C SER A 46 2.975 7.399 5.879 1.00 0.00 C ATOM 741 O SER A 46 2.451 8.271 5.176 1.00 0.00 O ATOM 742 CB SER A 46 5.121 6.928 4.666 1.00 0.00 C ATOM 743 OG SER A 46 5.838 7.717 5.600 1.00 0.00 O ATOM 0 H SER A 46 3.339 5.788 3.336 1.00 0.00 H new ATOM 0 HA SER A 46 4.171 5.658 6.095 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.764 6.131 4.293 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.844 7.541 3.808 1.00 0.00 H new ATOM 0 HG SER A 46 6.637 8.088 5.170 1.00 0.00 H new ATOM 749 N ASP A 47 2.817 7.317 7.180 1.00 0.00 N ATOM 750 CA ASP A 47 1.989 8.243 7.932 1.00 0.00 C ATOM 751 C ASP A 47 2.883 9.169 8.729 1.00 0.00 C ATOM 752 O ASP A 47 3.078 8.993 9.932 1.00 0.00 O ATOM 753 CB ASP A 47 1.079 7.498 8.896 1.00 0.00 C ATOM 754 CG ASP A 47 -0.034 8.368 9.463 1.00 0.00 C ATOM 755 OD1 ASP A 47 0.262 9.338 10.184 1.00 0.00 O ATOM 756 OD2 ASP A 47 -1.218 8.076 9.194 1.00 0.00 O ATOM 0 H ASP A 47 3.262 6.601 7.755 1.00 0.00 H new ATOM 0 HA ASP A 47 1.375 8.807 7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.638 6.644 8.382 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.676 7.102 9.717 1.00 0.00 H new ATOM 761 N PHE A 48 3.464 10.112 8.039 1.00 0.00 N ATOM 762 CA PHE A 48 4.319 11.103 8.667 1.00 0.00 C ATOM 763 C PHE A 48 3.483 12.160 9.370 1.00 0.00 C ATOM 764 O PHE A 48 3.029 13.133 8.767 1.00 0.00 O ATOM 765 CB PHE A 48 5.251 11.732 7.641 1.00 0.00 C ATOM 766 CG PHE A 48 6.138 12.812 8.199 1.00 0.00 C ATOM 767 CD1 PHE A 48 7.149 12.500 9.095 1.00 0.00 C ATOM 768 CD2 PHE A 48 5.962 14.134 7.823 1.00 0.00 C ATOM 769 CE1 PHE A 48 7.963 13.488 9.609 1.00 0.00 C ATOM 770 CE2 PHE A 48 6.776 15.126 8.335 1.00 0.00 C ATOM 771 CZ PHE A 48 7.778 14.802 9.228 1.00 0.00 C ATOM 0 H PHE A 48 3.364 10.222 7.030 1.00 0.00 H new ATOM 0 HA PHE A 48 4.933 10.606 9.418 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.876 10.952 7.207 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.653 12.150 6.831 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.301 11.473 9.394 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.181 14.391 7.123 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.745 13.234 10.309 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.629 16.154 8.037 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.416 15.576 9.628 1.00 0.00 H new ATOM 781 N ASP A 49 3.293 11.940 10.647 1.00 0.00 N ATOM 782 CA ASP A 49 2.482 12.813 11.482 1.00 0.00 C ATOM 783 C ASP A 49 3.366 13.819 12.205 1.00 0.00 C ATOM 784 O ASP A 49 4.548 13.570 12.439 1.00 0.00 O ATOM 785 CB ASP A 49 1.694 11.983 12.493 1.00 0.00 C ATOM 786 CG ASP A 49 0.817 12.828 13.391 1.00 0.00 C ATOM 787 OD1 ASP A 49 -0.243 13.299 12.934 1.00 0.00 O ATOM 788 OD2 ASP A 49 1.188 13.024 14.561 1.00 0.00 O ATOM 0 H ASP A 49 3.696 11.147 11.147 1.00 0.00 H new ATOM 0 HA ASP A 49 1.781 13.356 10.848 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.073 11.263 11.960 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.390 11.411 13.107 1.00 0.00 H new ATOM 793 N ASN A 50 2.779 14.949 12.565 1.00 0.00 N ATOM 794 CA ASN A 50 3.526 16.059 13.147 1.00 0.00 C ATOM 795 C ASN A 50 3.710 15.877 14.652 1.00 0.00 C ATOM 796 O ASN A 50 4.562 16.523 15.262 1.00 0.00 O ATOM 797 CB ASN A 50 2.801 17.376 12.846 1.00 0.00 C ATOM 798 CG ASN A 50 3.565 18.603 13.309 1.00 0.00 C ATOM 799 OD1 ASN A 50 3.340 19.116 14.407 1.00 0.00 O ATOM 800 ND2 ASN A 50 4.484 19.078 12.481 1.00 0.00 N ATOM 0 H ASN A 50 1.779 15.125 12.464 1.00 0.00 H new ATOM 0 HA ASN A 50 4.519 16.083 12.699 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.627 17.449 11.773 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.823 17.362 13.328 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.034 19.896 12.744 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.641 18.626 11.580 1.00 0.00 H new ATOM 807 N ALA A 51 2.924 14.985 15.246 1.00 0.00 N ATOM 808 CA ALA A 51 3.000 14.736 16.680 1.00 0.00 C ATOM 809 C ALA A 51 3.593 13.358 16.970 1.00 0.00 C ATOM 810 O ALA A 51 4.437 13.209 17.855 1.00 0.00 O ATOM 811 CB ALA A 51 1.623 14.866 17.315 1.00 0.00 C ATOM 0 H ALA A 51 2.228 14.423 14.756 1.00 0.00 H new ATOM 0 HA ALA A 51 3.660 15.485 17.117 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.697 14.677 18.386 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.240 15.873 17.150 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.945 14.141 16.865 1.00 0.00 H new ATOM 817 N LYS A 52 3.150 12.354 16.222 1.00 0.00 N ATOM 818 CA LYS A 52 3.625 10.985 16.412 1.00 0.00 C ATOM 819 C LYS A 52 4.948 10.766 15.690 1.00 0.00 C ATOM 820 O LYS A 52 5.830 10.063 16.181 1.00 0.00 O ATOM 821 CB LYS A 52 2.596 9.975 15.894 1.00 0.00 C ATOM 822 CG LYS A 52 1.220 10.105 16.527 1.00 0.00 C ATOM 823 CD LYS A 52 0.233 9.096 15.946 1.00 0.00 C ATOM 824 CE LYS A 52 0.326 7.724 16.615 1.00 0.00 C ATOM 825 NZ LYS A 52 1.637 7.053 16.393 1.00 0.00 N ATOM 0 H LYS A 52 2.462 12.461 15.477 1.00 0.00 H new ATOM 0 HA LYS A 52 3.770 10.833 17.482 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.499 10.093 14.815 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.971 8.967 16.072 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.300 9.957 17.604 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.842 11.115 16.371 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.781 9.481 16.056 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.418 8.987 14.877 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.159 7.837 17.686 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.471 7.086 16.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.519 6.023 16.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.989 7.285 15.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.320 7.382 17.105 1.00 0.00 H new ATOM 839 N GLY A 53 5.078 11.373 14.524 1.00 0.00 N ATOM 840 CA GLY A 53 6.260 11.176 13.712 1.00 0.00 C ATOM 841 C GLY A 53 5.954 10.343 12.487 1.00 0.00 C ATOM 842 O GLY A 53 4.791 10.192 12.118 1.00 0.00 O ATOM 0 H GLY A 53 4.383 12.002 14.122 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.659 12.143 13.406 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.033 10.685 14.304 1.00 0.00 H new ATOM 846 N LEU A 54 6.986 9.800 11.856 1.00 0.00 N ATOM 847 CA LEU A 54 6.804 8.966 10.679 1.00 0.00 C ATOM 848 C LEU A 54 6.383 7.542 11.052 1.00 0.00 C ATOM 849 O LEU A 54 7.179 6.739 11.535 1.00 0.00 O ATOM 850 CB LEU A 54 8.074 8.970 9.811 1.00 0.00 C ATOM 851 CG LEU A 54 9.396 9.304 10.524 1.00 0.00 C ATOM 852 CD1 LEU A 54 9.846 8.176 11.438 1.00 0.00 C ATOM 853 CD2 LEU A 54 10.474 9.618 9.498 1.00 0.00 C ATOM 0 H LEU A 54 7.958 9.923 12.141 1.00 0.00 H new ATOM 0 HA LEU A 54 5.991 9.392 10.091 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.175 7.987 9.350 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.932 9.688 9.003 1.00 0.00 H new ATOM 0 HG LEU A 54 9.226 10.181 11.149 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.783 8.452 11.922 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.084 7.997 12.197 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.994 7.269 10.851 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.407 9.853 10.011 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.624 8.753 8.851 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.165 10.473 8.896 1.00 0.00 H new ATOM 865 N ASN A 55 5.107 7.252 10.839 1.00 0.00 N ATOM 866 CA ASN A 55 4.559 5.927 11.105 1.00 0.00 C ATOM 867 C ASN A 55 4.406 5.173 9.793 1.00 0.00 C ATOM 868 O ASN A 55 4.327 5.787 8.732 1.00 0.00 O ATOM 869 CB ASN A 55 3.179 6.023 11.775 1.00 0.00 C ATOM 870 CG ASN A 55 3.122 7.004 12.934 1.00 0.00 C ATOM 871 OD1 ASN A 55 3.397 6.654 14.081 1.00 0.00 O ATOM 872 ND2 ASN A 55 2.738 8.238 12.644 1.00 0.00 N ATOM 0 H ASN A 55 4.426 7.922 10.480 1.00 0.00 H new ATOM 0 HA ASN A 55 5.243 5.405 11.774 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.443 6.317 11.027 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.891 5.035 12.134 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.662 8.936 13.384 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.518 8.491 11.680 1.00 0.00 H new ATOM 879 N VAL A 56 4.374 3.853 9.851 1.00 0.00 N ATOM 880 CA VAL A 56 4.031 3.068 8.674 1.00 0.00 C ATOM 881 C VAL A 56 2.699 2.365 8.880 1.00 0.00 C ATOM 882 O VAL A 56 2.556 1.516 9.762 1.00 0.00 O ATOM 883 CB VAL A 56 5.112 2.029 8.317 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.684 1.207 7.108 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.431 2.720 8.042 1.00 0.00 C ATOM 0 H VAL A 56 4.578 3.306 10.688 1.00 0.00 H new ATOM 0 HA VAL A 56 3.960 3.767 7.841 1.00 0.00 H new ATOM 0 HB VAL A 56 5.239 1.356 9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.459 0.479 6.870 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.753 0.686 7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.533 1.867 6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.186 1.975 7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.312 3.412 7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.745 3.271 8.929 1.00 0.00 H new ATOM 895 N LYS A 57 1.724 2.739 8.075 1.00 0.00 N ATOM 896 CA LYS A 57 0.405 2.141 8.140 1.00 0.00 C ATOM 897 C LYS A 57 0.292 0.990 7.159 1.00 0.00 C ATOM 898 O LYS A 57 0.261 1.193 5.946 1.00 0.00 O ATOM 899 CB LYS A 57 -0.667 3.187 7.855 1.00 0.00 C ATOM 900 CG LYS A 57 -1.261 3.797 9.108 1.00 0.00 C ATOM 901 CD LYS A 57 -2.087 5.026 8.783 1.00 0.00 C ATOM 902 CE LYS A 57 -2.914 5.459 9.982 1.00 0.00 C ATOM 903 NZ LYS A 57 -3.475 6.823 9.808 1.00 0.00 N ATOM 0 H LYS A 57 1.822 3.461 7.362 1.00 0.00 H new ATOM 0 HA LYS A 57 0.253 1.752 9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.237 3.980 7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.464 2.729 7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.885 3.060 9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.462 4.065 9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.430 5.840 8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.745 4.814 7.940 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.727 4.750 10.137 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.294 5.434 10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.527 7.298 10.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.863 7.371 9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.429 6.756 9.399 1.00 0.00 H new ATOM 917 N HIS A 58 0.242 -0.216 7.691 1.00 0.00 N ATOM 918 CA HIS A 58 0.125 -1.406 6.871 1.00 0.00 C ATOM 919 C HIS A 58 -1.345 -1.730 6.636 1.00 0.00 C ATOM 920 O HIS A 58 -2.011 -2.295 7.506 1.00 0.00 O ATOM 921 CB HIS A 58 0.820 -2.597 7.544 1.00 0.00 C ATOM 922 CG HIS A 58 2.288 -2.393 7.797 1.00 0.00 C ATOM 923 ND1 HIS A 58 3.237 -2.777 6.881 1.00 0.00 N ATOM 924 CD2 HIS A 58 2.910 -1.871 8.881 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.407 -2.486 7.424 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.258 -1.935 8.637 1.00 0.00 N ATOM 0 H HIS A 58 0.281 -0.398 8.694 1.00 0.00 H new ATOM 0 HA HIS A 58 0.611 -1.217 5.914 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.325 -2.803 8.493 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.690 -3.480 6.918 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.435 -1.479 9.768 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.361 -2.669 6.951 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.004 -1.623 9.259 1.00 0.00 H new ATOM 934 N TYR A 59 -1.861 -1.334 5.481 1.00 0.00 N ATOM 935 CA TYR A 59 -3.234 -1.651 5.106 1.00 0.00 C ATOM 936 C TYR A 59 -3.269 -2.941 4.303 1.00 0.00 C ATOM 937 O TYR A 59 -2.915 -2.957 3.125 1.00 0.00 O ATOM 938 CB TYR A 59 -3.860 -0.520 4.283 1.00 0.00 C ATOM 939 CG TYR A 59 -4.187 0.730 5.074 1.00 0.00 C ATOM 940 CD1 TYR A 59 -5.431 0.884 5.675 1.00 0.00 C ATOM 941 CD2 TYR A 59 -3.265 1.759 5.210 1.00 0.00 C ATOM 942 CE1 TYR A 59 -5.744 2.025 6.388 1.00 0.00 C ATOM 943 CE2 TYR A 59 -3.573 2.905 5.919 1.00 0.00 C ATOM 944 CZ TYR A 59 -4.811 3.033 6.507 1.00 0.00 C ATOM 945 OH TYR A 59 -5.121 4.179 7.208 1.00 0.00 O ATOM 0 H TYR A 59 -1.349 -0.791 4.785 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.812 -1.772 6.022 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.177 -0.255 3.476 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.774 -0.890 3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.166 0.098 5.583 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.291 1.662 4.754 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.715 2.127 6.850 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.845 3.697 6.011 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.876 4.063 8.150 1.00 0.00 H new ATOM 955 N LYS A 60 -3.683 -4.024 4.941 1.00 0.00 N ATOM 956 CA LYS A 60 -3.710 -5.312 4.275 1.00 0.00 C ATOM 957 C LYS A 60 -4.796 -5.352 3.202 1.00 0.00 C ATOM 958 O LYS A 60 -5.963 -5.057 3.461 1.00 0.00 O ATOM 959 CB LYS A 60 -3.904 -6.457 5.278 1.00 0.00 C ATOM 960 CG LYS A 60 -5.209 -6.396 6.061 1.00 0.00 C ATOM 961 CD LYS A 60 -5.392 -7.623 6.938 1.00 0.00 C ATOM 962 CE LYS A 60 -4.322 -7.718 8.012 1.00 0.00 C ATOM 963 NZ LYS A 60 -4.398 -6.587 8.974 1.00 0.00 N ATOM 0 H LYS A 60 -4.002 -4.036 5.910 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.743 -5.449 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.861 -7.405 4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.072 -6.451 5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.220 -5.500 6.681 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.046 -6.315 5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.375 -7.590 7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.365 -8.519 6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.431 -8.660 8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.338 -7.730 7.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.795 -6.790 9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.071 -5.715 8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.382 -6.464 9.288 1.00 0.00 H new ATOM 977 N ILE A 61 -4.391 -5.696 1.996 1.00 0.00 N ATOM 978 CA ILE A 61 -5.316 -5.861 0.894 1.00 0.00 C ATOM 979 C ILE A 61 -5.749 -7.316 0.836 1.00 0.00 C ATOM 980 O ILE A 61 -5.066 -8.161 0.250 1.00 0.00 O ATOM 981 CB ILE A 61 -4.682 -5.448 -0.451 1.00 0.00 C ATOM 982 CG1 ILE A 61 -4.196 -3.995 -0.390 1.00 0.00 C ATOM 983 CG2 ILE A 61 -5.677 -5.631 -1.589 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.529 -3.521 -1.664 1.00 0.00 C ATOM 0 H ILE A 61 -3.415 -5.868 1.753 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.176 -5.213 1.061 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.823 -6.092 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.045 -3.346 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.494 -3.891 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.213 -5.335 -2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.976 -6.678 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.555 -5.012 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.212 -2.485 -1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.660 -4.145 -1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.234 -3.592 -2.492 1.00 0.00 H new ATOM 996 N ARG A 62 -6.865 -7.611 1.474 1.00 0.00 N ATOM 997 CA ARG A 62 -7.319 -8.982 1.616 1.00 0.00 C ATOM 998 C ARG A 62 -8.077 -9.435 0.382 1.00 0.00 C ATOM 999 O ARG A 62 -8.631 -8.622 -0.358 1.00 0.00 O ATOM 1000 CB ARG A 62 -8.205 -9.128 2.851 1.00 0.00 C ATOM 1001 CG ARG A 62 -7.493 -8.807 4.152 1.00 0.00 C ATOM 1002 CD ARG A 62 -8.372 -9.118 5.350 1.00 0.00 C ATOM 1003 NE ARG A 62 -8.711 -10.538 5.424 1.00 0.00 N ATOM 1004 CZ ARG A 62 -9.573 -11.047 6.299 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -10.212 -10.260 7.156 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -9.815 -12.347 6.310 1.00 0.00 N ATOM 0 H ARG A 62 -7.477 -6.917 1.904 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.439 -9.614 1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.069 -8.471 2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.585 -10.149 2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.570 -9.383 4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.214 -7.754 4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.859 -8.819 6.264 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.287 -8.529 5.291 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.260 -11.175 4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.044 -9.254 7.148 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.871 -10.661 7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.340 -12.960 5.647 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.476 -12.737 6.981 1.00 0.00 H new ATOM 1020 N LYS A 63 -8.092 -10.736 0.163 1.00 0.00 N ATOM 1021 CA LYS A 63 -8.810 -11.308 -0.957 1.00 0.00 C ATOM 1022 C LYS A 63 -10.084 -11.983 -0.491 1.00 0.00 C ATOM 1023 O LYS A 63 -10.149 -12.527 0.616 1.00 0.00 O ATOM 1024 CB LYS A 63 -7.936 -12.314 -1.700 1.00 0.00 C ATOM 1025 CG LYS A 63 -6.802 -11.669 -2.464 1.00 0.00 C ATOM 1026 CD LYS A 63 -5.947 -12.700 -3.188 1.00 0.00 C ATOM 1027 CE LYS A 63 -6.722 -13.397 -4.296 1.00 0.00 C ATOM 1028 NZ LYS A 63 -5.878 -14.366 -5.042 1.00 0.00 N ATOM 0 H LYS A 63 -7.612 -11.419 0.750 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.071 -10.496 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.525 -13.026 -0.985 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.556 -12.882 -2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.208 -10.961 -3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.178 -11.099 -1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.068 -12.212 -3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.588 -13.441 -2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.578 -13.917 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.115 -12.652 -4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.445 -14.818 -5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.074 -13.866 -5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.523 -15.093 -4.388 1.00 0.00 H new ATOM 1042 N LEU A 64 -11.092 -11.922 -1.336 1.00 0.00 N ATOM 1043 CA LEU A 64 -12.336 -12.635 -1.089 1.00 0.00 C ATOM 1044 C LEU A 64 -12.153 -14.099 -1.450 1.00 0.00 C ATOM 1045 O LEU A 64 -12.014 -14.952 -0.575 1.00 0.00 O ATOM 1046 CB LEU A 64 -13.483 -12.034 -1.909 1.00 0.00 C ATOM 1047 CG LEU A 64 -13.901 -10.615 -1.514 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -14.904 -10.066 -2.514 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -14.491 -10.604 -0.111 1.00 0.00 C ATOM 0 H LEU A 64 -11.078 -11.385 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.590 -12.543 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.192 -12.029 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.351 -12.688 -1.821 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.017 -9.978 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.193 -9.056 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.453 -10.042 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.787 -10.705 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.783 -9.587 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.367 -11.252 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.747 -10.964 0.599 1.00 0.00 H new ATOM 1061 N ASP A 65 -12.119 -14.355 -2.751 1.00 0.00 N ATOM 1062 CA ASP A 65 -11.903 -15.690 -3.303 1.00 0.00 C ATOM 1063 C ASP A 65 -12.096 -15.627 -4.813 1.00 0.00 C ATOM 1064 O ASP A 65 -11.297 -16.164 -5.579 1.00 0.00 O ATOM 1065 CB ASP A 65 -12.865 -16.731 -2.697 1.00 0.00 C ATOM 1066 CG ASP A 65 -14.287 -16.588 -3.198 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -14.908 -15.540 -2.950 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -14.774 -17.516 -3.882 1.00 0.00 O ATOM 0 H ASP A 65 -12.242 -13.635 -3.463 1.00 0.00 H new ATOM 0 HA ASP A 65 -10.890 -16.006 -3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.502 -17.732 -2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.857 -16.635 -1.611 1.00 0.00 H new ATOM 1073 N SER A 66 -13.157 -14.943 -5.225 1.00 0.00 N ATOM 1074 CA SER A 66 -13.478 -14.777 -6.633 1.00 0.00 C ATOM 1075 C SER A 66 -13.903 -13.337 -6.930 1.00 0.00 C ATOM 1076 O SER A 66 -13.692 -12.834 -8.033 1.00 0.00 O ATOM 1077 CB SER A 66 -14.590 -15.757 -7.015 1.00 0.00 C ATOM 1078 OG SER A 66 -15.622 -15.758 -6.039 1.00 0.00 O ATOM 0 H SER A 66 -13.816 -14.490 -4.592 1.00 0.00 H new ATOM 0 HA SER A 66 -12.590 -14.988 -7.228 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.003 -15.484 -7.986 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.177 -16.761 -7.115 1.00 0.00 H new ATOM 0 HG SER A 66 -15.437 -16.448 -5.368 1.00 0.00 H new ATOM 1084 N GLY A 67 -14.498 -12.683 -5.934 1.00 0.00 N ATOM 1085 CA GLY A 67 -14.928 -11.301 -6.092 1.00 0.00 C ATOM 1086 C GLY A 67 -13.777 -10.358 -6.382 1.00 0.00 C ATOM 1087 O GLY A 67 -13.877 -9.497 -7.256 1.00 0.00 O ATOM 0 H GLY A 67 -14.691 -13.086 -5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -15.654 -11.241 -6.903 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.437 -10.977 -5.184 1.00 0.00 H new ATOM 1091 N GLY A 68 -12.685 -10.510 -5.645 1.00 0.00 N ATOM 1092 CA GLY A 68 -11.522 -9.684 -5.884 1.00 0.00 C ATOM 1093 C GLY A 68 -10.780 -9.329 -4.612 1.00 0.00 C ATOM 1094 O GLY A 68 -10.749 -10.112 -3.656 1.00 0.00 O ATOM 0 H GLY A 68 -12.585 -11.188 -4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.845 -10.206 -6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.831 -8.767 -6.387 1.00 0.00 H new ATOM 1098 N PHE A 69 -10.193 -8.139 -4.610 1.00 0.00 N ATOM 1099 CA PHE A 69 -9.387 -7.653 -3.499 1.00 0.00 C ATOM 1100 C PHE A 69 -10.122 -6.524 -2.787 1.00 0.00 C ATOM 1101 O PHE A 69 -10.915 -5.811 -3.405 1.00 0.00 O ATOM 1102 CB PHE A 69 -8.043 -7.117 -4.011 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.270 -8.070 -4.884 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -7.555 -8.179 -6.237 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -6.249 -8.842 -4.356 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -6.839 -9.043 -7.044 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -5.529 -9.706 -5.159 1.00 0.00 C ATOM 1108 CZ PHE A 69 -5.824 -9.807 -6.504 1.00 0.00 C ATOM 0 H PHE A 69 -10.264 -7.480 -5.385 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.212 -8.480 -2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.224 -6.200 -4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.425 -6.850 -3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.346 -7.581 -6.665 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.013 -8.768 -3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.073 -9.120 -8.095 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.735 -10.303 -4.734 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.262 -10.482 -7.132 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.858 -6.352 -1.500 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.472 -5.265 -0.751 1.00 0.00 C ATOM 1120 C TYR A 70 -9.570 -4.798 0.389 1.00 0.00 C ATOM 1121 O TYR A 70 -8.970 -5.606 1.100 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.845 -5.691 -0.207 1.00 0.00 C ATOM 1123 CG TYR A 70 -11.804 -6.790 0.835 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.732 -8.128 0.466 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -11.842 -6.486 2.192 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -11.696 -9.130 1.417 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -11.807 -7.483 3.148 1.00 0.00 C ATOM 1128 CZ TYR A 70 -11.734 -8.803 2.756 1.00 0.00 C ATOM 1129 OH TYR A 70 -11.694 -9.799 3.707 1.00 0.00 O ATOM 0 H TYR A 70 -9.230 -6.944 -0.957 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.611 -4.428 -1.435 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.335 -4.819 0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.463 -6.024 -1.041 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.704 -8.389 -0.582 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.900 -5.453 2.503 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.638 -10.165 1.113 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.837 -7.230 4.197 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.728 -9.399 4.601 1.00 0.00 H new ATOM 1139 N ILE A 71 -9.458 -3.482 0.530 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.786 -2.883 1.677 1.00 0.00 C ATOM 1141 C ILE A 71 -9.826 -2.609 2.757 1.00 0.00 C ATOM 1142 O ILE A 71 -9.530 -2.536 3.948 1.00 0.00 O ATOM 1143 CB ILE A 71 -8.075 -1.562 1.289 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -7.044 -1.817 0.189 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -7.410 -0.925 2.504 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -6.328 -0.568 -0.278 1.00 0.00 C ATOM 0 H ILE A 71 -9.826 -2.806 -0.140 1.00 0.00 H new ATOM 0 HA ILE A 71 -8.026 -3.573 2.042 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.826 -0.869 0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.307 -2.532 0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.542 -2.279 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.918 0.001 2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.165 -0.708 3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.671 -1.612 2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.613 -0.829 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -7.055 0.141 -0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.800 -0.116 0.562 1.00 0.00 H new ATOM 1158 N THR A 72 -11.060 -2.475 2.306 1.00 0.00 N ATOM 1159 CA THR A 72 -12.190 -2.236 3.172 1.00 0.00 C ATOM 1160 C THR A 72 -13.421 -2.881 2.544 1.00 0.00 C ATOM 1161 O THR A 72 -13.550 -2.932 1.320 1.00 0.00 O ATOM 1162 CB THR A 72 -12.407 -0.719 3.391 1.00 0.00 C ATOM 1163 OG1 THR A 72 -13.546 -0.486 4.229 1.00 0.00 O ATOM 1164 CG2 THR A 72 -12.585 0.006 2.065 1.00 0.00 C ATOM 0 H THR A 72 -11.304 -2.530 1.317 1.00 0.00 H new ATOM 0 HA THR A 72 -12.005 -2.677 4.152 1.00 0.00 H new ATOM 0 HB THR A 72 -11.518 -0.326 3.884 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.666 0.478 4.357 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.736 1.070 2.249 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.695 -0.134 1.452 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.452 -0.398 1.543 1.00 0.00 H new ATOM 1172 N SER A 73 -14.310 -3.390 3.385 1.00 0.00 N ATOM 1173 CA SER A 73 -15.410 -4.233 2.932 1.00 0.00 C ATOM 1174 C SER A 73 -16.393 -3.477 2.039 1.00 0.00 C ATOM 1175 O SER A 73 -17.128 -4.089 1.265 1.00 0.00 O ATOM 1176 CB SER A 73 -16.140 -4.814 4.139 1.00 0.00 C ATOM 1177 OG SER A 73 -15.224 -5.412 5.044 1.00 0.00 O ATOM 0 H SER A 73 -14.291 -3.233 4.393 1.00 0.00 H new ATOM 0 HA SER A 73 -14.984 -5.036 2.331 1.00 0.00 H new ATOM 0 HB2 SER A 73 -16.697 -4.026 4.646 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.867 -5.556 3.807 1.00 0.00 H new ATOM 0 HG SER A 73 -15.713 -5.777 5.811 1.00 0.00 H new ATOM 1183 N ARG A 74 -16.403 -2.154 2.140 1.00 0.00 N ATOM 1184 CA ARG A 74 -17.339 -1.340 1.371 1.00 0.00 C ATOM 1185 C ARG A 74 -16.807 -1.000 -0.021 1.00 0.00 C ATOM 1186 O ARG A 74 -17.481 -0.318 -0.797 1.00 0.00 O ATOM 1187 CB ARG A 74 -17.673 -0.051 2.118 1.00 0.00 C ATOM 1188 CG ARG A 74 -16.455 0.699 2.631 1.00 0.00 C ATOM 1189 CD ARG A 74 -16.740 2.184 2.766 1.00 0.00 C ATOM 1190 NE ARG A 74 -16.726 2.855 1.466 1.00 0.00 N ATOM 1191 CZ ARG A 74 -17.811 3.284 0.824 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -19.007 3.170 1.384 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -17.693 3.849 -0.370 1.00 0.00 N ATOM 0 H ARG A 74 -15.777 -1.622 2.744 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.243 -1.937 1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.238 0.605 1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -18.322 -0.289 2.961 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.156 0.294 3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.618 0.547 1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.711 2.327 3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.996 2.640 3.420 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.821 3.005 1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -19.099 2.752 2.310 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.836 3.500 0.889 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -16.772 3.955 -0.796 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -18.523 4.178 -0.863 1.00 0.00 H new ATOM 1207 N THR A 75 -15.603 -1.452 -0.339 1.00 0.00 N ATOM 1208 CA THR A 75 -15.026 -1.200 -1.651 1.00 0.00 C ATOM 1209 C THR A 75 -14.144 -2.365 -2.088 1.00 0.00 C ATOM 1210 O THR A 75 -13.064 -2.588 -1.537 1.00 0.00 O ATOM 1211 CB THR A 75 -14.213 0.112 -1.668 1.00 0.00 C ATOM 1212 OG1 THR A 75 -14.995 1.176 -1.106 1.00 0.00 O ATOM 1213 CG2 THR A 75 -13.815 0.482 -3.086 1.00 0.00 C ATOM 0 H THR A 75 -15.009 -1.993 0.290 1.00 0.00 H new ATOM 0 HA THR A 75 -15.852 -1.099 -2.355 1.00 0.00 H new ATOM 0 HB THR A 75 -13.310 -0.039 -1.076 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.474 2.006 -1.118 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.243 1.410 -3.073 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.205 -0.314 -3.512 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.711 0.617 -3.692 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.625 -3.115 -3.070 1.00 0.00 N ATOM 1222 CA GLN A 76 -13.928 -4.297 -3.549 1.00 0.00 C ATOM 1223 C GLN A 76 -13.595 -4.148 -5.032 1.00 0.00 C ATOM 1224 O GLN A 76 -14.448 -3.749 -5.827 1.00 0.00 O ATOM 1225 CB GLN A 76 -14.797 -5.539 -3.334 1.00 0.00 C ATOM 1226 CG GLN A 76 -15.297 -5.696 -1.903 1.00 0.00 C ATOM 1227 CD GLN A 76 -16.344 -6.786 -1.767 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -17.086 -7.070 -2.707 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -16.424 -7.390 -0.591 1.00 0.00 N ATOM 0 H GLN A 76 -15.503 -2.922 -3.553 1.00 0.00 H new ATOM 0 HA GLN A 76 -13.000 -4.408 -2.988 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.654 -5.493 -4.006 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.224 -6.425 -3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -14.454 -5.924 -1.250 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.717 -4.749 -1.563 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.790 -7.125 0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -17.120 -8.120 -0.439 1.00 0.00 H new ATOM 1238 N PHE A 77 -12.362 -4.465 -5.396 1.00 0.00 N ATOM 1239 CA PHE A 77 -11.926 -4.383 -6.785 1.00 0.00 C ATOM 1240 C PHE A 77 -11.402 -5.728 -7.262 1.00 0.00 C ATOM 1241 O PHE A 77 -10.600 -6.364 -6.587 1.00 0.00 O ATOM 1242 CB PHE A 77 -10.838 -3.321 -6.960 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.353 -1.911 -6.954 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -11.957 -1.377 -8.081 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -11.228 -1.118 -5.826 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -12.427 -0.080 -8.083 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -11.697 0.183 -5.824 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.297 0.703 -6.954 1.00 0.00 C ATOM 0 H PHE A 77 -11.642 -4.783 -4.747 1.00 0.00 H new ATOM 0 HA PHE A 77 -12.791 -4.100 -7.385 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.105 -3.432 -6.161 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.316 -3.502 -7.900 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.061 -1.984 -8.969 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.760 -1.519 -4.939 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -12.897 0.323 -8.968 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.594 0.793 -4.938 1.00 0.00 H new ATOM 0 HZ PHE A 77 -12.663 1.719 -6.954 1.00 0.00 H new ATOM 1258 N SER A 78 -11.846 -6.147 -8.437 1.00 0.00 N ATOM 1259 CA SER A 78 -11.430 -7.424 -8.999 1.00 0.00 C ATOM 1260 C SER A 78 -10.042 -7.326 -9.637 1.00 0.00 C ATOM 1261 O SER A 78 -9.552 -8.288 -10.231 1.00 0.00 O ATOM 1262 CB SER A 78 -12.455 -7.895 -10.033 1.00 0.00 C ATOM 1263 OG SER A 78 -13.758 -7.948 -9.471 1.00 0.00 O ATOM 0 H SER A 78 -12.496 -5.621 -9.021 1.00 0.00 H new ATOM 0 HA SER A 78 -11.374 -8.151 -8.188 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.451 -7.219 -10.888 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.175 -8.881 -10.405 1.00 0.00 H new ATOM 0 HG SER A 78 -13.755 -8.546 -8.694 1.00 0.00 H new ATOM 1269 N SER A 79 -9.416 -6.161 -9.526 1.00 0.00 N ATOM 1270 CA SER A 79 -8.071 -5.960 -10.042 1.00 0.00 C ATOM 1271 C SER A 79 -7.342 -4.906 -9.214 1.00 0.00 C ATOM 1272 O SER A 79 -7.891 -3.841 -8.930 1.00 0.00 O ATOM 1273 CB SER A 79 -8.133 -5.533 -11.508 1.00 0.00 C ATOM 1274 OG SER A 79 -8.782 -6.519 -12.293 1.00 0.00 O ATOM 0 H SER A 79 -9.822 -5.338 -9.081 1.00 0.00 H new ATOM 0 HA SER A 79 -7.521 -6.899 -9.972 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.665 -4.586 -11.593 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.124 -5.367 -11.886 1.00 0.00 H new ATOM 0 HG SER A 79 -8.812 -6.225 -13.227 1.00 0.00 H new ATOM 1280 N LEU A 80 -6.106 -5.220 -8.828 1.00 0.00 N ATOM 1281 CA LEU A 80 -5.309 -4.339 -7.979 1.00 0.00 C ATOM 1282 C LEU A 80 -4.955 -3.041 -8.691 1.00 0.00 C ATOM 1283 O LEU A 80 -4.714 -2.027 -8.042 1.00 0.00 O ATOM 1284 CB LEU A 80 -4.034 -5.048 -7.512 1.00 0.00 C ATOM 1285 CG LEU A 80 -4.226 -6.049 -6.373 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -2.903 -6.706 -6.017 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.814 -5.355 -5.156 1.00 0.00 C ATOM 0 H LEU A 80 -5.633 -6.084 -9.093 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.916 -4.089 -7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.595 -5.570 -8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.314 -4.294 -7.194 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.920 -6.822 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.056 -7.416 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.511 -7.231 -6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.191 -5.943 -5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.946 -6.079 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.139 -4.565 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.780 -4.922 -5.416 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.921 -3.073 -10.017 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.656 -1.871 -10.797 1.00 0.00 C ATOM 1301 C GLN A 81 -5.765 -0.851 -10.549 1.00 0.00 C ATOM 1302 O GLN A 81 -5.502 0.318 -10.267 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.562 -2.213 -12.289 1.00 0.00 C ATOM 1304 CG GLN A 81 -3.502 -1.423 -13.046 1.00 0.00 C ATOM 1305 CD GLN A 81 -3.808 0.062 -13.147 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -4.967 0.472 -13.213 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -2.767 0.878 -13.176 1.00 0.00 N ATOM 0 H GLN A 81 -5.073 -3.914 -10.573 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.703 -1.443 -10.487 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.350 -3.277 -12.394 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.532 -2.035 -12.753 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.540 -1.555 -12.551 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.402 -1.834 -14.051 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.821 0.500 -13.119 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.910 1.885 -13.255 1.00 0.00 H new ATOM 1316 N GLN A 82 -7.002 -1.326 -10.611 1.00 0.00 N ATOM 1317 CA GLN A 82 -8.168 -0.490 -10.353 1.00 0.00 C ATOM 1318 C GLN A 82 -8.201 -0.053 -8.891 1.00 0.00 C ATOM 1319 O GLN A 82 -8.669 1.039 -8.564 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.448 -1.252 -10.699 1.00 0.00 C ATOM 1321 CG GLN A 82 -9.556 -1.634 -12.165 1.00 0.00 C ATOM 1322 CD GLN A 82 -9.481 -0.435 -13.087 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -8.406 -0.053 -13.545 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -10.625 0.175 -13.359 1.00 0.00 N ATOM 0 H GLN A 82 -7.225 -2.295 -10.840 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.102 0.399 -10.981 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.496 -2.157 -10.093 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.309 -0.640 -10.428 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.756 -2.330 -12.415 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.497 -2.157 -12.332 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.496 -0.173 -12.959 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.635 0.993 -13.968 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.692 -0.923 -8.026 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.618 -0.664 -6.594 1.00 0.00 C ATOM 1335 C LEU A 83 -6.821 0.616 -6.326 1.00 0.00 C ATOM 1336 O LEU A 83 -7.373 1.618 -5.872 1.00 0.00 O ATOM 1337 CB LEU A 83 -6.978 -1.889 -5.903 1.00 0.00 C ATOM 1338 CG LEU A 83 -6.904 -1.890 -4.368 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.811 -0.958 -3.863 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -8.249 -1.517 -3.764 1.00 0.00 C ATOM 0 H LEU A 83 -7.318 -1.831 -8.300 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.617 -0.512 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.533 -2.775 -6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.964 -1.998 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.651 -2.901 -4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.786 -0.983 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.847 -1.282 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.016 0.059 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.174 -1.524 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.536 -0.521 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.002 -2.238 -4.080 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.532 0.586 -6.641 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.646 1.709 -6.350 1.00 0.00 C ATOM 1354 C VAL A 84 -5.060 2.972 -7.094 1.00 0.00 C ATOM 1355 O VAL A 84 -5.076 4.056 -6.519 1.00 0.00 O ATOM 1356 CB VAL A 84 -3.179 1.382 -6.691 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.520 0.624 -5.549 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -3.089 0.574 -7.970 1.00 0.00 C ATOM 0 H VAL A 84 -5.076 -0.203 -7.098 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.732 1.889 -5.278 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.651 2.324 -6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.485 0.402 -5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.545 1.233 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.057 -0.308 -5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.044 0.356 -8.190 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.637 -0.360 -7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.521 1.145 -8.792 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.398 2.814 -8.366 1.00 0.00 N ATOM 1369 CA ALA A 85 -5.799 3.935 -9.213 1.00 0.00 C ATOM 1370 C ALA A 85 -6.925 4.757 -8.587 1.00 0.00 C ATOM 1371 O ALA A 85 -6.890 5.988 -8.608 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.216 3.425 -10.585 1.00 0.00 C ATOM 0 H ALA A 85 -5.403 1.911 -8.841 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.938 4.595 -9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.514 4.266 -11.211 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.378 2.905 -11.050 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.055 2.738 -10.478 1.00 0.00 H new ATOM 1378 N TYR A 86 -7.917 4.084 -8.018 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.040 4.778 -7.404 1.00 0.00 C ATOM 1380 C TYR A 86 -8.653 5.351 -6.045 1.00 0.00 C ATOM 1381 O TYR A 86 -8.973 6.502 -5.731 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.244 3.846 -7.255 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.456 4.536 -6.670 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.211 5.415 -7.438 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -11.831 4.334 -5.345 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -13.304 6.068 -6.907 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -12.922 4.990 -4.806 1.00 0.00 C ATOM 1388 CZ TYR A 86 -13.654 5.855 -5.592 1.00 0.00 C ATOM 1389 OH TYR A 86 -14.732 6.522 -5.058 1.00 0.00 O ATOM 0 H TYR A 86 -7.967 3.066 -7.969 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.316 5.602 -8.062 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.502 3.436 -8.231 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.969 3.005 -6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.937 5.590 -8.468 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.261 3.655 -4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.883 6.743 -7.520 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.199 4.826 -3.775 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.424 7.339 -4.613 1.00 0.00 H new ATOM 1399 N TYR A 87 -7.940 4.558 -5.252 1.00 0.00 N ATOM 1400 CA TYR A 87 -7.555 4.968 -3.905 1.00 0.00 C ATOM 1401 C TYR A 87 -6.497 6.065 -3.933 1.00 0.00 C ATOM 1402 O TYR A 87 -6.174 6.654 -2.901 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.062 3.770 -3.092 1.00 0.00 C ATOM 1404 CG TYR A 87 -8.176 2.902 -2.550 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -8.951 2.108 -3.385 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -8.451 2.880 -1.194 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -9.964 1.317 -2.877 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -9.460 2.092 -0.679 1.00 0.00 C ATOM 1409 CZ TYR A 87 -10.213 1.314 -1.524 1.00 0.00 C ATOM 1410 OH TYR A 87 -11.217 0.527 -1.009 1.00 0.00 O ATOM 0 H TYR A 87 -7.617 3.628 -5.518 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.443 5.375 -3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.411 3.160 -3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.457 4.131 -2.260 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.759 2.109 -4.448 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.864 3.492 -0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.557 0.704 -3.539 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.657 2.087 0.383 1.00 0.00 H new ATOM 0 HH TYR A 87 -10.831 -0.291 -0.633 1.00 0.00 H new ATOM 1420 N SER A 88 -5.960 6.342 -5.116 1.00 0.00 N ATOM 1421 CA SER A 88 -5.047 7.459 -5.286 1.00 0.00 C ATOM 1422 C SER A 88 -5.791 8.775 -5.092 1.00 0.00 C ATOM 1423 O SER A 88 -5.218 9.773 -4.660 1.00 0.00 O ATOM 1424 CB SER A 88 -4.398 7.416 -6.673 1.00 0.00 C ATOM 1425 OG SER A 88 -3.620 6.241 -6.837 1.00 0.00 O ATOM 0 H SER A 88 -6.142 5.809 -5.966 1.00 0.00 H new ATOM 0 HA SER A 88 -4.260 7.384 -4.535 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.171 7.454 -7.441 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.768 8.295 -6.811 1.00 0.00 H new ATOM 0 HG SER A 88 -4.213 5.469 -6.951 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.081 8.759 -5.393 1.00 0.00 N ATOM 1432 CA LYS A 89 -7.905 9.948 -5.266 1.00 0.00 C ATOM 1433 C LYS A 89 -8.792 9.857 -4.032 1.00 0.00 C ATOM 1434 O LYS A 89 -8.865 10.795 -3.239 1.00 0.00 O ATOM 1435 CB LYS A 89 -8.763 10.144 -6.517 1.00 0.00 C ATOM 1436 CG LYS A 89 -7.957 10.235 -7.804 1.00 0.00 C ATOM 1437 CD LYS A 89 -6.918 11.341 -7.733 1.00 0.00 C ATOM 1438 CE LYS A 89 -6.139 11.458 -9.033 1.00 0.00 C ATOM 1439 NZ LYS A 89 -7.020 11.811 -10.175 1.00 0.00 N ATOM 0 H LYS A 89 -7.579 7.934 -5.727 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.245 10.808 -5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.467 9.316 -6.597 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.353 11.053 -6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.463 9.282 -7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.628 10.418 -8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.409 12.289 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.229 11.143 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.363 12.216 -8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.635 10.514 -9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.439 12.128 -10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.573 10.977 -10.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.666 12.575 -9.892 1.00 0.00 H new ATOM 1453 N HIS A 90 -9.466 8.729 -3.874 1.00 0.00 N ATOM 1454 CA HIS A 90 -10.315 8.504 -2.712 1.00 0.00 C ATOM 1455 C HIS A 90 -9.704 7.450 -1.811 1.00 0.00 C ATOM 1456 O HIS A 90 -9.562 6.297 -2.205 1.00 0.00 O ATOM 1457 CB HIS A 90 -11.722 8.078 -3.131 1.00 0.00 C ATOM 1458 CG HIS A 90 -12.546 9.194 -3.689 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -13.758 8.997 -4.310 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -12.329 10.528 -3.705 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -14.252 10.163 -4.679 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -13.404 11.110 -4.324 1.00 0.00 N ATOM 0 H HIS A 90 -9.442 7.953 -4.536 1.00 0.00 H new ATOM 0 HA HIS A 90 -10.390 9.444 -2.165 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -11.646 7.286 -3.876 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.236 7.655 -2.268 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -11.467 11.041 -3.304 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.193 10.317 -5.187 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -13.528 12.110 -4.484 1.00 0.00 H new ATOM 1471 N ALA A 91 -9.354 7.855 -0.603 1.00 0.00 N ATOM 1472 CA ALA A 91 -8.708 6.963 0.347 1.00 0.00 C ATOM 1473 C ALA A 91 -9.702 5.959 0.907 1.00 0.00 C ATOM 1474 O ALA A 91 -9.366 4.796 1.124 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.077 7.767 1.470 1.00 0.00 C ATOM 0 H ALA A 91 -9.507 8.801 -0.254 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.926 6.411 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.596 7.090 2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.334 8.448 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.848 8.340 1.985 1.00 0.00 H new ATOM 1481 N ASP A 92 -10.927 6.438 1.138 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.053 5.613 1.595 1.00 0.00 C ATOM 1483 C ASP A 92 -11.777 4.964 2.952 1.00 0.00 C ATOM 1484 O ASP A 92 -12.261 5.435 3.981 1.00 0.00 O ATOM 1485 CB ASP A 92 -12.401 4.539 0.559 1.00 0.00 C ATOM 1486 CG ASP A 92 -13.741 3.892 0.837 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -13.800 2.957 1.657 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -14.749 4.331 0.242 1.00 0.00 O ATOM 0 H ASP A 92 -11.170 7.421 1.012 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.906 6.281 1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.414 4.986 -0.435 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -11.624 3.775 0.555 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.004 3.883 2.950 1.00 0.00 N ATOM 1494 CA GLY A 93 -10.667 3.201 4.182 1.00 0.00 C ATOM 1495 C GLY A 93 -9.400 3.753 4.800 1.00 0.00 C ATOM 1496 O GLY A 93 -9.305 3.910 6.018 1.00 0.00 O ATOM 0 H GLY A 93 -10.603 3.466 2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.490 3.300 4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.542 2.136 3.986 1.00 0.00 H new ATOM 1500 N LEU A 94 -8.419 4.040 3.953 1.00 0.00 N ATOM 1501 CA LEU A 94 -7.184 4.664 4.386 1.00 0.00 C ATOM 1502 C LEU A 94 -7.454 6.087 4.856 1.00 0.00 C ATOM 1503 O LEU A 94 -8.379 6.746 4.381 1.00 0.00 O ATOM 1504 CB LEU A 94 -6.166 4.689 3.238 1.00 0.00 C ATOM 1505 CG LEU A 94 -5.777 3.320 2.669 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -6.809 2.823 1.672 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -4.401 3.381 2.024 1.00 0.00 C ATOM 0 H LEU A 94 -8.461 3.846 2.952 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.775 4.082 5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.572 5.297 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.262 5.187 3.588 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.744 2.612 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.504 1.850 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.777 2.731 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.888 3.531 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.142 2.400 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.411 4.110 1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.663 3.676 2.769 1.00 0.00 H new ATOM 1519 N CYS A 95 -6.657 6.547 5.809 1.00 0.00 N ATOM 1520 CA CYS A 95 -6.773 7.913 6.302 1.00 0.00 C ATOM 1521 C CYS A 95 -6.158 8.892 5.312 1.00 0.00 C ATOM 1522 O CYS A 95 -6.432 10.090 5.350 1.00 0.00 O ATOM 1523 CB CYS A 95 -6.087 8.044 7.661 1.00 0.00 C ATOM 1524 SG CYS A 95 -6.682 6.872 8.899 1.00 0.00 S ATOM 0 H CYS A 95 -5.924 5.996 6.256 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.831 8.150 6.415 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -5.014 7.905 7.530 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.234 9.057 8.035 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.261 5.678 8.604 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.331 8.365 4.418 1.00 0.00 N ATOM 1531 CA HIS A 96 -4.635 9.180 3.438 1.00 0.00 C ATOM 1532 C HIS A 96 -4.768 8.539 2.072 1.00 0.00 C ATOM 1533 O HIS A 96 -4.608 7.326 1.937 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.148 9.315 3.792 1.00 0.00 C ATOM 1535 CG HIS A 96 -2.896 9.598 5.239 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -3.120 10.842 5.776 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -2.474 8.762 6.212 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -2.834 10.731 7.062 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -2.440 9.489 7.372 1.00 0.00 N ATOM 0 H HIS A 96 -5.127 7.368 4.354 1.00 0.00 H new ATOM 0 HA HIS A 96 -5.081 10.175 3.434 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.633 8.395 3.516 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.713 10.115 3.194 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.213 7.720 6.097 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.909 11.540 7.773 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -2.167 9.150 8.294 1.00 0.00 H new ATOM 1547 N ARG A 97 -5.091 9.347 1.075 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.202 8.859 -0.290 1.00 0.00 C ATOM 1549 C ARG A 97 -3.824 8.482 -0.814 1.00 0.00 C ATOM 1550 O ARG A 97 -2.817 9.053 -0.386 1.00 0.00 O ATOM 1551 CB ARG A 97 -5.828 9.925 -1.198 1.00 0.00 C ATOM 1552 CG ARG A 97 -4.961 11.160 -1.380 1.00 0.00 C ATOM 1553 CD ARG A 97 -5.528 12.087 -2.440 1.00 0.00 C ATOM 1554 NE ARG A 97 -4.588 13.149 -2.796 1.00 0.00 N ATOM 1555 CZ ARG A 97 -3.897 13.175 -3.934 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -3.986 12.168 -4.794 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -3.099 14.195 -4.208 1.00 0.00 N ATOM 0 H ARG A 97 -5.281 10.343 1.185 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.846 7.980 -0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.028 9.485 -2.175 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.789 10.225 -0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.883 11.694 -0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.952 10.859 -1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.778 11.510 -3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.455 12.530 -2.076 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.454 13.914 -2.135 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.586 11.370 -4.584 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.455 12.192 -5.664 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -3.011 14.966 -3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.572 14.210 -5.081 1.00 0.00 H new ATOM 1571 N LEU A 98 -3.782 7.524 -1.733 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.525 7.088 -2.329 1.00 0.00 C ATOM 1573 C LEU A 98 -1.947 8.204 -3.193 1.00 0.00 C ATOM 1574 O LEU A 98 -2.156 8.245 -4.407 1.00 0.00 O ATOM 1575 CB LEU A 98 -2.735 5.815 -3.158 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.318 4.626 -2.388 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.415 3.404 -3.285 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.476 4.311 -1.161 1.00 0.00 C ATOM 0 H LEU A 98 -4.606 7.034 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.817 6.859 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.398 6.048 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.778 5.517 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.321 4.897 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.831 2.570 -2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.062 3.626 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.422 3.138 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.909 3.463 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.460 4.065 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.454 5.179 -0.502 1.00 0.00 H new ATOM 1590 N THR A 99 -1.225 9.110 -2.552 1.00 0.00 N ATOM 1591 CA THR A 99 -0.745 10.315 -3.199 1.00 0.00 C ATOM 1592 C THR A 99 0.407 10.010 -4.149 1.00 0.00 C ATOM 1593 O THR A 99 0.321 10.269 -5.352 1.00 0.00 O ATOM 1594 CB THR A 99 -0.294 11.345 -2.145 1.00 0.00 C ATOM 1595 OG1 THR A 99 -1.306 11.478 -1.135 1.00 0.00 O ATOM 1596 CG2 THR A 99 -0.032 12.703 -2.779 1.00 0.00 C ATOM 0 H THR A 99 -0.957 9.029 -1.571 1.00 0.00 H new ATOM 0 HA THR A 99 -1.568 10.731 -3.780 1.00 0.00 H new ATOM 0 HB THR A 99 0.634 10.989 -1.698 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.016 12.132 -0.465 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.284 13.408 -2.011 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.752 12.609 -3.530 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.945 13.066 -3.251 1.00 0.00 H new ATOM 1604 N ASN A 100 1.470 9.440 -3.612 1.00 0.00 N ATOM 1605 CA ASN A 100 2.657 9.154 -4.395 1.00 0.00 C ATOM 1606 C ASN A 100 3.226 7.800 -4.005 1.00 0.00 C ATOM 1607 O ASN A 100 3.129 7.378 -2.852 1.00 0.00 O ATOM 1608 CB ASN A 100 3.702 10.252 -4.183 1.00 0.00 C ATOM 1609 CG ASN A 100 4.146 10.364 -2.737 1.00 0.00 C ATOM 1610 OD1 ASN A 100 3.523 11.061 -1.938 1.00 0.00 O ATOM 1611 ND2 ASN A 100 5.232 9.690 -2.393 1.00 0.00 N ATOM 0 H ASN A 100 1.535 9.165 -2.632 1.00 0.00 H new ATOM 0 HA ASN A 100 2.387 9.127 -5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.570 10.049 -4.811 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.290 11.208 -4.508 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.580 9.738 -1.435 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.721 9.123 -3.086 1.00 0.00 H new ATOM 1618 N VAL A 101 3.805 7.114 -4.973 1.00 0.00 N ATOM 1619 CA VAL A 101 4.372 5.799 -4.733 1.00 0.00 C ATOM 1620 C VAL A 101 5.828 5.935 -4.305 1.00 0.00 C ATOM 1621 O VAL A 101 6.509 6.890 -4.690 1.00 0.00 O ATOM 1622 CB VAL A 101 4.296 4.909 -5.995 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.411 3.440 -5.617 1.00 0.00 C ATOM 1624 CG2 VAL A 101 3.013 5.165 -6.776 1.00 0.00 C ATOM 0 H VAL A 101 3.895 7.445 -5.933 1.00 0.00 H new ATOM 0 HA VAL A 101 3.790 5.326 -3.942 1.00 0.00 H new ATOM 0 HB VAL A 101 5.135 5.169 -6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.356 2.827 -6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.364 3.266 -5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.596 3.172 -4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.990 4.524 -7.657 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.152 4.945 -6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.978 6.209 -7.086 1.00 0.00 H new ATOM 1634 N CYS A 102 6.287 5.000 -3.485 1.00 0.00 N ATOM 1635 CA CYS A 102 7.671 4.985 -3.042 1.00 0.00 C ATOM 1636 C CYS A 102 8.599 4.723 -4.225 1.00 0.00 C ATOM 1637 O CYS A 102 8.508 3.683 -4.875 1.00 0.00 O ATOM 1638 CB CYS A 102 7.873 3.916 -1.967 1.00 0.00 C ATOM 1639 SG CYS A 102 9.563 3.812 -1.335 1.00 0.00 S ATOM 0 H CYS A 102 5.718 4.240 -3.113 1.00 0.00 H new ATOM 0 HA CYS A 102 7.911 5.959 -2.615 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.198 4.120 -1.136 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.590 2.946 -2.377 1.00 0.00 H new ATOM 0 HG CYS A 102 9.572 4.108 -0.069 1.00 0.00 H new ATOM 1645 N PRO A 103 9.498 5.674 -4.520 1.00 0.00 N ATOM 1646 CA PRO A 103 10.418 5.564 -5.650 1.00 0.00 C ATOM 1647 C PRO A 103 11.505 4.520 -5.417 1.00 0.00 C ATOM 1648 O PRO A 103 12.087 4.441 -4.330 1.00 0.00 O ATOM 1649 CB PRO A 103 11.032 6.963 -5.750 1.00 0.00 C ATOM 1650 CG PRO A 103 10.923 7.528 -4.377 1.00 0.00 C ATOM 1651 CD PRO A 103 9.684 6.930 -3.770 1.00 0.00 C ATOM 0 HA PRO A 103 9.907 5.243 -6.558 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.071 6.916 -6.077 1.00 0.00 H new ATOM 0 HB3 PRO A 103 10.498 7.578 -6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.804 7.281 -3.784 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.854 8.615 -4.409 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.810 6.744 -2.703 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.825 7.592 -3.879 1.00 0.00 H new ATOM 1659 N THR A 104 11.763 3.712 -6.431 1.00 0.00 N ATOM 1660 CA THR A 104 12.820 2.719 -6.360 1.00 0.00 C ATOM 1661 C THR A 104 14.177 3.351 -6.658 1.00 0.00 C ATOM 1662 O THR A 104 14.430 3.822 -7.769 1.00 0.00 O ATOM 1663 CB THR A 104 12.559 1.553 -7.332 1.00 0.00 C ATOM 1664 OG1 THR A 104 12.058 2.055 -8.579 1.00 0.00 O ATOM 1665 CG2 THR A 104 11.567 0.563 -6.739 1.00 0.00 C ATOM 0 H THR A 104 11.254 3.725 -7.315 1.00 0.00 H new ATOM 0 HA THR A 104 12.830 2.323 -5.344 1.00 0.00 H new ATOM 0 HB THR A 104 13.503 1.035 -7.504 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.580 2.839 -8.850 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.399 -0.251 -7.444 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.967 0.160 -5.809 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.623 1.070 -6.539 1.00 0.00 H new ATOM 1673 N SER A 105 15.036 3.373 -5.655 1.00 0.00 N ATOM 1674 CA SER A 105 16.359 3.948 -5.794 1.00 0.00 C ATOM 1675 C SER A 105 17.398 2.972 -5.258 1.00 0.00 C ATOM 1676 O SER A 105 17.311 2.545 -4.107 1.00 0.00 O ATOM 1677 CB SER A 105 16.435 5.280 -5.040 1.00 0.00 C ATOM 1678 OG SER A 105 17.690 5.914 -5.227 1.00 0.00 O ATOM 0 H SER A 105 14.837 2.996 -4.728 1.00 0.00 H new ATOM 0 HA SER A 105 16.562 4.137 -6.848 1.00 0.00 H new ATOM 0 HB2 SER A 105 15.638 5.940 -5.384 1.00 0.00 H new ATOM 0 HB3 SER A 105 16.269 5.107 -3.977 1.00 0.00 H new ATOM 0 HG SER A 105 17.705 6.761 -4.735 1.00 0.00 H new ATOM 1684 N LYS A 106 18.360 2.616 -6.109 1.00 0.00 N ATOM 1685 CA LYS A 106 19.398 1.645 -5.765 1.00 0.00 C ATOM 1686 C LYS A 106 18.771 0.290 -5.452 1.00 0.00 C ATOM 1687 O LYS A 106 18.851 -0.161 -4.289 1.00 0.00 O ATOM 1688 CB LYS A 106 20.255 2.127 -4.578 1.00 0.00 C ATOM 1689 CG LYS A 106 21.291 3.194 -4.925 1.00 0.00 C ATOM 1690 CD LYS A 106 20.652 4.475 -5.438 1.00 0.00 C ATOM 1691 CE LYS A 106 21.651 5.621 -5.499 1.00 0.00 C ATOM 1692 NZ LYS A 106 22.114 6.027 -4.145 1.00 0.00 N ATOM 1693 OXT LYS A 106 18.161 -0.300 -6.363 1.00 0.00 O ATOM 0 H LYS A 106 18.442 2.992 -7.054 1.00 0.00 H new ATOM 0 HA LYS A 106 20.056 1.542 -6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 106 19.593 2.521 -3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 106 20.770 1.268 -4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 106 21.889 3.418 -4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 106 21.973 2.803 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 106 20.237 4.302 -6.431 1.00 0.00 H new ATOM 0 HD3 LYS A 106 19.821 4.752 -4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 106 22.509 5.323 -6.102 1.00 0.00 H new ATOM 0 HE3 LYS A 106 21.193 6.475 -5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 22.522 6.982 -4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 21.308 6.025 -3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 22.836 5.358 -3.810 1.00 0.00 H new TER 1707 LYS A 106