USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 808 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 41 THR OG1 : rot 160:sc= 0.555 USER MOD Set 1.2: A 43 SER OG : rot -49:sc= -1.49! USER MOD Set 2.1: A 27 CYS SG : rot -162:sc= -6.6! USER MOD Set 2.2: A 62 TYR OH : rot 7:sc= -0.452 USER MOD Set 3.1: A 22 GLN : amide:sc= -0.0546 X(o=0.48,f=0.52) USER MOD Set 3.2: A 70 SER OG : rot -130:sc= 0.532 USER MOD Set 4.1: A 9 GLN : amide:sc= 0 X(o=-1.5,f=-1.5) USER MOD Set 4.2: A 13 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.5) USER MOD Single : A 4 TYR OH : rot 80:sc= -3.58! USER MOD Single : A 6 THR OG1 : rot 74:sc= 0.107 USER MOD Single : A 12 THR OG1 : rot 77:sc= 0.0441 USER MOD Single : A 14 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.46) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 24 LYS NZ :NH3+ -128:sc= 0 (180deg=-1.34!) USER MOD Single : A 25 SER OG : rot 46:sc= 1.23 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -2.69 USER MOD Single : A 40 THR OG1 : rot 17:sc= 0.873! USER MOD Single : A 47 SER OG : rot 101:sc= 1.14 USER MOD Single : A 51 SER OG : rot 55:sc= 1.14 USER MOD Single : A 52 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-1.4) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.03 K(o=-1,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -5.17! C(o=-5.2!,f=-5.8!) USER MOD Single : A 77 THR OG1 : rot 62:sc= 1.15 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 50:sc= -2.67 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0992 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 30:sc= -2.57! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -3.970 15.397 8.606 1.00 35.11 N ATOM 21 CA ALA A 2 -5.185 14.687 8.978 1.00 35.11 C ATOM 22 C ALA A 2 -5.462 13.549 8.021 1.00 35.11 C ATOM 23 O ALA A 2 -5.932 12.486 8.429 1.00 35.11 O ATOM 24 CB ALA A 2 -6.371 15.638 9.042 1.00 35.11 C ATOM 0 HA ALA A 2 -5.035 14.264 9.971 1.00 35.11 H new ATOM 0 HB1 ALA A 2 -7.267 15.084 9.322 1.00 35.11 H new ATOM 0 HB2 ALA A 2 -6.177 16.412 9.784 1.00 35.11 H new ATOM 0 HB3 ALA A 2 -6.520 16.100 8.066 1.00 35.11 H new ATOM 30 N GLU A 3 -5.150 13.755 6.750 1.00 71.76 N ATOM 31 CA GLU A 3 -5.354 12.716 5.757 1.00 71.76 C ATOM 32 C GLU A 3 -4.507 11.512 6.119 1.00 71.76 C ATOM 33 O GLU A 3 -4.952 10.368 6.021 1.00 71.76 O ATOM 34 CB GLU A 3 -4.969 13.224 4.372 1.00 71.76 C ATOM 35 CG GLU A 3 -5.575 14.573 4.049 1.00 71.76 C ATOM 36 CD GLU A 3 -4.595 15.722 4.219 1.00 71.76 C ATOM 37 OE1 GLU A 3 -3.395 15.458 4.452 1.00 71.76 O ATOM 38 OE2 GLU A 3 -5.030 16.889 4.122 1.00 71.76 O ATOM 0 H GLU A 3 -4.759 14.624 6.386 1.00 71.76 H new ATOM 0 HA GLU A 3 -6.407 12.434 5.741 1.00 71.76 H new ATOM 0 HB2 GLU A 3 -3.883 13.294 4.305 1.00 71.76 H new ATOM 0 HB3 GLU A 3 -5.288 12.499 3.623 1.00 71.76 H new ATOM 0 HG2 GLU A 3 -5.941 14.564 3.022 1.00 71.76 H new ATOM 0 HG3 GLU A 3 -6.438 14.741 4.693 1.00 71.76 H new ATOM 45 N TYR A 4 -3.279 11.778 6.556 1.00112.05 N ATOM 46 CA TYR A 4 -2.380 10.711 6.947 1.00112.05 C ATOM 47 C TYR A 4 -2.971 9.932 8.115 1.00112.05 C ATOM 48 O TYR A 4 -2.917 8.703 8.138 1.00112.05 O ATOM 49 CB TYR A 4 -0.988 11.244 7.298 1.00112.05 C ATOM 50 CG TYR A 4 -0.019 10.151 7.672 1.00112.05 C ATOM 51 CD1 TYR A 4 0.421 9.237 6.725 1.00112.05 C ATOM 52 CD2 TYR A 4 0.452 10.032 8.971 1.00112.05 C ATOM 53 CE1 TYR A 4 1.301 8.229 7.063 1.00112.05 C ATOM 54 CE2 TYR A 4 1.334 9.030 9.317 1.00112.05 C ATOM 55 CZ TYR A 4 1.754 8.130 8.361 1.00112.05 C ATOM 56 OH TYR A 4 2.628 7.124 8.703 1.00112.05 O ATOM 0 H TYR A 4 -2.891 12.717 6.646 1.00112.05 H new ATOM 0 HA TYR A 4 -2.264 10.040 6.096 1.00112.05 H new ATOM 0 HB2 TYR A 4 -0.592 11.799 6.448 1.00112.05 H new ATOM 0 HB3 TYR A 4 -1.072 11.947 8.126 1.00112.05 H new ATOM 0 HD1 TYR A 4 0.069 9.316 5.707 1.00112.05 H new ATOM 0 HD2 TYR A 4 0.123 10.734 9.723 1.00112.05 H new ATOM 0 HE1 TYR A 4 1.632 7.523 6.316 1.00112.05 H new ATOM 0 HE2 TYR A 4 1.694 8.951 10.332 1.00112.05 H new ATOM 0 HH TYR A 4 3.536 7.372 8.428 1.00112.05 H new ATOM 66 N GLY A 5 -3.565 10.651 9.078 1.00 23.54 N ATOM 67 CA GLY A 5 -4.184 9.982 10.211 1.00 23.54 C ATOM 68 C GLY A 5 -5.268 9.033 9.746 1.00 23.54 C ATOM 69 O GLY A 5 -5.372 7.899 10.213 1.00 23.54 O ATOM 0 H GLY A 5 -3.625 11.669 9.090 1.00 23.54 H new ATOM 0 HA2 GLY A 5 -3.428 9.432 10.772 1.00 23.54 H new ATOM 0 HA3 GLY A 5 -4.608 10.722 10.889 1.00 23.54 H new ATOM 73 N THR A 6 -6.053 9.508 8.785 1.00 90.84 N ATOM 74 CA THR A 6 -7.119 8.734 8.186 1.00 90.84 C ATOM 75 C THR A 6 -6.543 7.621 7.337 1.00 90.84 C ATOM 76 O THR A 6 -7.075 6.520 7.311 1.00 90.84 O ATOM 77 CB THR A 6 -8.009 9.649 7.326 1.00 90.84 C ATOM 78 OG1 THR A 6 -8.552 10.704 8.129 1.00 90.84 O ATOM 79 CG2 THR A 6 -9.132 8.882 6.664 1.00 90.84 C ATOM 0 H THR A 6 -5.962 10.449 8.401 1.00 90.84 H new ATOM 0 HA THR A 6 -7.724 8.292 8.978 1.00 90.84 H new ATOM 0 HB THR A 6 -7.382 10.070 6.540 1.00 90.84 H new ATOM 0 HG1 THR A 6 -7.852 11.362 8.322 1.00 90.84 H new ATOM 0 HG21 THR A 6 -9.736 9.565 6.067 1.00 90.84 H new ATOM 0 HG22 THR A 6 -8.714 8.109 6.019 1.00 90.84 H new ATOM 0 HG23 THR A 6 -9.756 8.419 7.428 1.00 90.84 H new ATOM 87 N LEU A 7 -5.444 7.907 6.649 1.00 63.89 N ATOM 88 CA LEU A 7 -4.794 6.903 5.811 1.00 63.89 C ATOM 89 C LEU A 7 -4.535 5.643 6.616 1.00 63.89 C ATOM 90 O LEU A 7 -4.995 4.552 6.273 1.00 63.89 O ATOM 91 CB LEU A 7 -3.466 7.429 5.278 1.00 63.89 C ATOM 92 CG LEU A 7 -2.656 6.397 4.497 1.00 63.89 C ATOM 93 CD1 LEU A 7 -3.463 5.903 3.312 1.00 63.89 C ATOM 94 CD2 LEU A 7 -1.313 6.967 4.068 1.00 63.89 C ATOM 0 H LEU A 7 -4.986 8.818 6.653 1.00 63.89 H new ATOM 0 HA LEU A 7 -5.456 6.679 4.974 1.00 63.89 H new ATOM 0 HB2 LEU A 7 -3.659 8.287 4.634 1.00 63.89 H new ATOM 0 HB3 LEU A 7 -2.867 7.788 6.115 1.00 63.89 H new ATOM 0 HG LEU A 7 -2.445 5.546 5.145 1.00 63.89 H new ATOM 0 HD11 LEU A 7 -2.881 5.167 2.757 1.00 63.89 H new ATOM 0 HD12 LEU A 7 -4.386 5.444 3.666 1.00 63.89 H new ATOM 0 HD13 LEU A 7 -3.702 6.743 2.659 1.00 63.89 H new ATOM 0 HD21 LEU A 7 -0.757 6.211 3.514 1.00 63.89 H new ATOM 0 HD22 LEU A 7 -1.474 7.838 3.432 1.00 63.89 H new ATOM 0 HD23 LEU A 7 -0.744 7.262 4.950 1.00 63.89 H new ATOM 106 N LEU A 8 -3.812 5.824 7.707 1.00 67.93 N ATOM 107 CA LEU A 8 -3.501 4.735 8.603 1.00 67.93 C ATOM 108 C LEU A 8 -4.784 4.096 9.108 1.00 67.93 C ATOM 109 O LEU A 8 -4.894 2.880 9.179 1.00 67.93 O ATOM 110 CB LEU A 8 -2.664 5.257 9.771 1.00 67.93 C ATOM 111 CG LEU A 8 -1.145 5.356 9.526 1.00 67.93 C ATOM 112 CD1 LEU A 8 -0.815 5.694 8.074 1.00 67.93 C ATOM 113 CD2 LEU A 8 -0.522 6.385 10.464 1.00 67.93 C ATOM 0 H LEU A 8 -3.428 6.725 7.992 1.00 67.93 H new ATOM 0 HA LEU A 8 -2.927 3.978 8.069 1.00 67.93 H new ATOM 0 HB2 LEU A 8 -3.033 6.246 10.042 1.00 67.93 H new ATOM 0 HB3 LEU A 8 -2.831 4.608 10.630 1.00 67.93 H new ATOM 0 HG LEU A 8 -0.719 4.375 9.735 1.00 67.93 H new ATOM 0 HD11 LEU A 8 0.266 5.753 7.951 1.00 67.93 H new ATOM 0 HD12 LEU A 8 -1.213 4.918 7.420 1.00 67.93 H new ATOM 0 HD13 LEU A 8 -1.263 6.653 7.813 1.00 67.93 H new ATOM 0 HD21 LEU A 8 0.551 6.444 10.279 1.00 67.93 H new ATOM 0 HD22 LEU A 8 -0.975 7.360 10.286 1.00 67.93 H new ATOM 0 HD23 LEU A 8 -0.696 6.087 11.498 1.00 67.93 H new ATOM 125 N GLN A 9 -5.767 4.938 9.416 1.00 42.21 N ATOM 126 CA GLN A 9 -7.061 4.481 9.889 1.00 42.21 C ATOM 127 C GLN A 9 -7.746 3.645 8.809 1.00 42.21 C ATOM 128 O GLN A 9 -8.372 2.633 9.108 1.00 42.21 O ATOM 129 CB GLN A 9 -7.878 5.730 10.276 1.00 42.21 C ATOM 130 CG GLN A 9 -9.387 5.577 10.285 1.00 42.21 C ATOM 131 CD GLN A 9 -9.992 5.742 11.667 1.00 42.21 C ATOM 132 OE1 GLN A 9 -10.338 6.851 12.080 1.00 42.21 O ATOM 133 NE2 GLN A 9 -10.117 4.634 12.387 1.00 42.21 N ATOM 0 H GLN A 9 -5.685 5.952 9.343 1.00 42.21 H new ATOM 0 HA GLN A 9 -6.964 3.836 10.762 1.00 42.21 H new ATOM 0 HB2 GLN A 9 -7.562 6.050 11.269 1.00 42.21 H new ATOM 0 HB3 GLN A 9 -7.621 6.533 9.585 1.00 42.21 H new ATOM 0 HG2 GLN A 9 -9.825 6.314 9.612 1.00 42.21 H new ATOM 0 HG3 GLN A 9 -9.649 4.594 9.895 1.00 42.21 H new ATOM 0 HE21 GLN A 9 -9.816 3.739 12.002 1.00 42.21 H new ATOM 0 HE22 GLN A 9 -10.514 4.678 13.326 1.00 42.21 H new ATOM 142 N ASP A 10 -7.629 4.076 7.563 1.00 76.39 N ATOM 143 CA ASP A 10 -8.249 3.357 6.455 1.00 76.39 C ATOM 144 C ASP A 10 -7.691 1.945 6.328 1.00 76.39 C ATOM 145 O ASP A 10 -8.456 0.981 6.304 1.00 76.39 O ATOM 146 CB ASP A 10 -8.074 4.122 5.144 1.00 76.39 C ATOM 147 CG ASP A 10 -8.783 5.463 5.158 1.00 76.39 C ATOM 148 OD1 ASP A 10 -9.627 5.683 6.053 1.00 76.39 O ATOM 149 OD2 ASP A 10 -8.494 6.295 4.273 1.00 76.39 O ATOM 0 H ASP A 10 -7.115 4.914 7.292 1.00 76.39 H new ATOM 0 HA ASP A 10 -9.315 3.279 6.669 1.00 76.39 H new ATOM 0 HB2 ASP A 10 -7.012 4.278 4.956 1.00 76.39 H new ATOM 0 HB3 ASP A 10 -8.458 3.520 4.321 1.00 76.39 H new ATOM 154 N LEU A 11 -6.363 1.797 6.288 1.00140.58 N ATOM 155 CA LEU A 11 -5.786 0.468 6.222 1.00140.58 C ATOM 156 C LEU A 11 -6.086 -0.243 7.527 1.00140.58 C ATOM 157 O LEU A 11 -6.349 -1.436 7.529 1.00140.58 O ATOM 158 CB LEU A 11 -4.299 0.506 5.889 1.00140.58 C ATOM 159 CG LEU A 11 -3.375 0.922 7.021 1.00140.58 C ATOM 160 CD1 LEU A 11 -2.927 -0.307 7.799 1.00140.58 C ATOM 161 CD2 LEU A 11 -2.180 1.697 6.468 1.00140.58 C ATOM 0 H LEU A 11 -5.690 2.564 6.300 1.00140.58 H new ATOM 0 HA LEU A 11 -6.238 -0.094 5.404 1.00140.58 H new ATOM 0 HB2 LEU A 11 -3.998 -0.484 5.546 1.00140.58 H new ATOM 0 HB3 LEU A 11 -4.151 1.192 5.055 1.00140.58 H new ATOM 0 HG LEU A 11 -3.912 1.580 7.704 1.00140.58 H new ATOM 0 HD11 LEU A 11 -2.265 -0.003 8.610 1.00140.58 H new ATOM 0 HD12 LEU A 11 -3.799 -0.813 8.213 1.00140.58 H new ATOM 0 HD13 LEU A 11 -2.396 -0.986 7.132 1.00140.58 H new ATOM 0 HD21 LEU A 11 -1.525 1.990 7.289 1.00140.58 H new ATOM 0 HD22 LEU A 11 -1.628 1.066 5.771 1.00140.58 H new ATOM 0 HD23 LEU A 11 -2.533 2.589 5.950 1.00140.58 H new ATOM 173 N THR A 12 -6.133 0.522 8.631 1.00103.83 N ATOM 174 CA THR A 12 -6.497 -0.040 9.919 1.00103.83 C ATOM 175 C THR A 12 -7.909 -0.605 9.816 1.00103.83 C ATOM 176 O THR A 12 -8.214 -1.667 10.349 1.00103.83 O ATOM 177 CB THR A 12 -6.446 0.995 11.056 1.00103.83 C ATOM 178 OG1 THR A 12 -5.163 1.609 11.128 1.00103.83 O ATOM 179 CG2 THR A 12 -6.723 0.320 12.369 1.00103.83 C ATOM 0 H THR A 12 -5.924 1.520 8.646 1.00103.83 H new ATOM 0 HA THR A 12 -5.773 -0.817 10.162 1.00103.83 H new ATOM 0 HB THR A 12 -7.199 1.756 10.852 1.00103.83 H new ATOM 0 HG1 THR A 12 -5.077 2.272 10.411 1.00103.83 H new ATOM 0 HG21 THR A 12 -6.686 1.056 13.172 1.00103.83 H new ATOM 0 HG22 THR A 12 -7.712 -0.137 12.341 1.00103.83 H new ATOM 0 HG23 THR A 12 -5.972 -0.450 12.548 1.00103.83 H new ATOM 187 N ASN A 13 -8.758 0.096 9.071 1.00 36.97 N ATOM 188 CA ASN A 13 -10.120 -0.364 8.840 1.00 36.97 C ATOM 189 C ASN A 13 -10.072 -1.665 8.041 1.00 36.97 C ATOM 190 O ASN A 13 -10.902 -2.556 8.225 1.00 36.97 O ATOM 191 CB ASN A 13 -10.937 0.695 8.095 1.00 36.97 C ATOM 192 CG ASN A 13 -11.048 1.991 8.875 1.00 36.97 C ATOM 193 OD1 ASN A 13 -10.838 2.020 10.088 1.00 36.97 O ATOM 194 ND2 ASN A 13 -11.372 3.073 8.177 1.00 36.97 N ATOM 0 H ASN A 13 -8.527 0.981 8.619 1.00 36.97 H new ATOM 0 HA ASN A 13 -10.608 -0.540 9.799 1.00 36.97 H new ATOM 0 HB2 ASN A 13 -10.474 0.894 7.128 1.00 36.97 H new ATOM 0 HB3 ASN A 13 -11.936 0.307 7.896 1.00 36.97 H new ATOM 0 HD21 ASN A 13 -11.456 3.976 8.645 1.00 36.97 H new ATOM 0 HD22 ASN A 13 -11.537 3.002 7.173 1.00 36.97 H new ATOM 201 N ASN A 14 -9.052 -1.775 7.178 1.00 84.59 N ATOM 202 CA ASN A 14 -8.836 -2.969 6.370 1.00 84.59 C ATOM 203 C ASN A 14 -7.873 -3.928 7.080 1.00 84.59 C ATOM 204 O ASN A 14 -7.484 -4.953 6.524 1.00 84.59 O ATOM 205 CB ASN A 14 -8.247 -2.578 5.007 1.00 84.59 C ATOM 206 CG ASN A 14 -8.974 -1.408 4.365 1.00 84.59 C ATOM 207 OD1 ASN A 14 -8.358 -0.563 3.714 1.00 84.59 O ATOM 208 ND2 ASN A 14 -10.288 -1.347 4.546 1.00 84.59 N ATOM 0 H ASN A 14 -8.361 -1.040 7.026 1.00 84.59 H new ATOM 0 HA ASN A 14 -9.795 -3.467 6.226 1.00 84.59 H new ATOM 0 HB2 ASN A 14 -7.195 -2.322 5.131 1.00 84.59 H new ATOM 0 HB3 ASN A 14 -8.289 -3.437 4.338 1.00 84.59 H new ATOM 0 HD21 ASN A 14 -10.824 -0.580 4.139 1.00 84.59 H new ATOM 0 HD22 ASN A 14 -10.762 -2.067 5.092 1.00 84.59 H new ATOM 215 N ILE A 15 -7.460 -3.565 8.298 1.00120.44 N ATOM 216 CA ILE A 15 -6.524 -4.353 9.057 1.00120.44 C ATOM 217 C ILE A 15 -7.207 -5.277 10.059 1.00120.44 C ATOM 218 O ILE A 15 -7.853 -4.830 11.008 1.00120.44 O ATOM 219 CB ILE A 15 -5.485 -3.408 9.746 1.00120.44 C ATOM 220 CG1 ILE A 15 -4.101 -3.975 9.606 1.00120.44 C ATOM 221 CG2 ILE A 15 -5.759 -3.109 11.218 1.00120.44 C ATOM 222 CD1 ILE A 15 -3.910 -5.274 10.354 1.00120.44 C ATOM 0 H ILE A 15 -7.772 -2.717 8.772 1.00120.44 H new ATOM 0 HA ILE A 15 -5.999 -5.013 8.367 1.00120.44 H new ATOM 0 HB ILE A 15 -5.579 -2.456 9.224 1.00120.44 H new ATOM 0 HG12 ILE A 15 -3.887 -4.137 8.550 1.00120.44 H new ATOM 0 HG13 ILE A 15 -3.378 -3.245 9.969 1.00120.44 H new ATOM 0 HG21 ILE A 15 -4.985 -2.447 11.605 1.00120.44 H new ATOM 0 HG22 ILE A 15 -6.732 -2.627 11.316 1.00120.44 H new ATOM 0 HG23 ILE A 15 -5.757 -4.040 11.785 1.00120.44 H new ATOM 0 HD11 ILE A 15 -2.889 -5.629 10.211 1.00120.44 H new ATOM 0 HD12 ILE A 15 -4.093 -5.112 11.416 1.00120.44 H new ATOM 0 HD13 ILE A 15 -4.610 -6.019 9.975 1.00120.44 H new ATOM 234 N THR A 16 -7.024 -6.567 9.859 1.00158.94 N ATOM 235 CA THR A 16 -7.572 -7.547 10.767 1.00158.94 C ATOM 236 C THR A 16 -6.576 -7.816 11.861 1.00158.94 C ATOM 237 O THR A 16 -5.375 -7.606 11.677 1.00158.94 O ATOM 238 CB THR A 16 -7.869 -8.882 10.082 1.00158.94 C ATOM 239 OG1 THR A 16 -6.658 -9.459 9.587 1.00158.94 O ATOM 240 CG2 THR A 16 -8.858 -8.709 8.959 1.00158.94 C ATOM 0 H THR A 16 -6.500 -6.958 9.076 1.00158.94 H new ATOM 0 HA THR A 16 -8.506 -7.136 11.151 1.00158.94 H new ATOM 0 HB THR A 16 -8.310 -9.552 10.820 1.00158.94 H new ATOM 0 HG1 THR A 16 -6.857 -10.314 9.151 1.00158.94 H new ATOM 0 HG21 THR A 16 -9.050 -9.675 8.491 1.00158.94 H new ATOM 0 HG22 THR A 16 -9.790 -8.306 9.354 1.00158.94 H new ATOM 0 HG23 THR A 16 -8.451 -8.021 8.218 1.00158.94 H new ATOM 248 N LEU A 17 -7.050 -8.321 12.984 1.00 50.69 N ATOM 249 CA LEU A 17 -6.150 -8.657 14.077 1.00 50.69 C ATOM 250 C LEU A 17 -5.167 -9.718 13.604 1.00 50.69 C ATOM 251 O LEU A 17 -3.988 -9.703 13.959 1.00 50.69 O ATOM 252 CB LEU A 17 -6.915 -9.153 15.302 1.00 50.69 C ATOM 253 CG LEU A 17 -6.034 -9.536 16.497 1.00 50.69 C ATOM 254 CD1 LEU A 17 -5.013 -8.441 16.790 1.00 50.69 C ATOM 255 CD2 LEU A 17 -6.894 -9.800 17.720 1.00 50.69 C ATOM 0 H LEU A 17 -8.037 -8.506 13.165 1.00 50.69 H new ATOM 0 HA LEU A 17 -5.611 -7.757 14.373 1.00 50.69 H new ATOM 0 HB2 LEU A 17 -7.612 -8.377 15.617 1.00 50.69 H new ATOM 0 HB3 LEU A 17 -7.511 -10.019 15.015 1.00 50.69 H new ATOM 0 HG LEU A 17 -5.492 -10.448 16.246 1.00 50.69 H new ATOM 0 HD11 LEU A 17 -4.399 -8.734 17.642 1.00 50.69 H new ATOM 0 HD12 LEU A 17 -4.377 -8.294 15.917 1.00 50.69 H new ATOM 0 HD13 LEU A 17 -5.533 -7.511 17.021 1.00 50.69 H new ATOM 0 HD21 LEU A 17 -6.256 -10.071 18.562 1.00 50.69 H new ATOM 0 HD22 LEU A 17 -7.460 -8.902 17.968 1.00 50.69 H new ATOM 0 HD23 LEU A 17 -7.584 -10.617 17.510 1.00 50.69 H new ATOM 267 N GLU A 18 -5.671 -10.621 12.767 1.00107.93 N ATOM 268 CA GLU A 18 -4.854 -11.679 12.203 1.00107.93 C ATOM 269 C GLU A 18 -3.816 -11.081 11.270 1.00107.93 C ATOM 270 O GLU A 18 -2.638 -11.444 11.304 1.00107.93 O ATOM 271 CB GLU A 18 -5.738 -12.662 11.435 1.00107.93 C ATOM 272 CG GLU A 18 -6.656 -13.482 12.325 1.00107.93 C ATOM 273 CD GLU A 18 -7.868 -12.707 12.802 1.00107.93 C ATOM 274 OE1 GLU A 18 -8.164 -11.643 12.221 1.00107.93 O ATOM 275 OE2 GLU A 18 -8.522 -13.166 13.762 1.00107.93 O ATOM 0 H GLU A 18 -6.646 -10.637 12.467 1.00107.93 H new ATOM 0 HA GLU A 18 -4.347 -12.210 13.009 1.00107.93 H new ATOM 0 HB2 GLU A 18 -6.343 -12.108 10.717 1.00107.93 H new ATOM 0 HB3 GLU A 18 -5.102 -13.338 10.863 1.00107.93 H new ATOM 0 HG2 GLU A 18 -6.988 -14.365 11.779 1.00107.93 H new ATOM 0 HG3 GLU A 18 -6.094 -13.835 13.190 1.00107.93 H new ATOM 282 N ASP A 19 -4.263 -10.142 10.444 1.00 35.40 N ATOM 283 CA ASP A 19 -3.379 -9.472 9.511 1.00 35.40 C ATOM 284 C ASP A 19 -2.274 -8.725 10.247 1.00 35.40 C ATOM 285 O ASP A 19 -1.119 -8.737 9.824 1.00 35.40 O ATOM 286 CB ASP A 19 -4.167 -8.521 8.606 1.00 35.40 C ATOM 287 CG ASP A 19 -4.915 -9.251 7.503 1.00 35.40 C ATOM 288 OD1 ASP A 19 -4.864 -10.500 7.471 1.00 35.40 O ATOM 289 OD2 ASP A 19 -5.544 -8.572 6.666 1.00 35.40 O ATOM 0 H ASP A 19 -5.234 -9.831 10.405 1.00 35.40 H new ATOM 0 HA ASP A 19 -2.912 -10.232 8.884 1.00 35.40 H new ATOM 0 HB2 ASP A 19 -4.877 -7.956 9.210 1.00 35.40 H new ATOM 0 HB3 ASP A 19 -3.483 -7.799 8.160 1.00 35.40 H new ATOM 294 N LEU A 20 -2.634 -8.072 11.354 1.00 45.47 N ATOM 295 CA LEU A 20 -1.659 -7.323 12.142 1.00 45.47 C ATOM 296 C LEU A 20 -0.556 -8.238 12.635 1.00 45.47 C ATOM 297 O LEU A 20 0.602 -7.857 12.649 1.00 45.47 O ATOM 298 CB LEU A 20 -2.317 -6.620 13.333 1.00 45.47 C ATOM 299 CG LEU A 20 -1.676 -5.297 13.755 1.00 45.47 C ATOM 300 CD1 LEU A 20 -1.482 -4.363 12.567 1.00 45.47 C ATOM 301 CD2 LEU A 20 -2.535 -4.631 14.825 1.00 45.47 C ATOM 0 H LEU A 20 -3.585 -8.048 11.721 1.00 45.47 H new ATOM 0 HA LEU A 20 -1.231 -6.562 11.490 1.00 45.47 H new ATOM 0 HB2 LEU A 20 -3.363 -6.435 13.090 1.00 45.47 H new ATOM 0 HB3 LEU A 20 -2.303 -7.299 14.186 1.00 45.47 H new ATOM 0 HG LEU A 20 -0.688 -5.510 14.164 1.00 45.47 H new ATOM 0 HD11 LEU A 20 -1.024 -3.434 12.906 1.00 45.47 H new ATOM 0 HD12 LEU A 20 -0.834 -4.840 11.832 1.00 45.47 H new ATOM 0 HD13 LEU A 20 -2.449 -4.147 12.113 1.00 45.47 H new ATOM 0 HD21 LEU A 20 -2.077 -3.688 15.125 1.00 45.47 H new ATOM 0 HD22 LEU A 20 -3.531 -4.440 14.425 1.00 45.47 H new ATOM 0 HD23 LEU A 20 -2.612 -5.288 15.691 1.00 45.47 H new ATOM 313 N GLU A 21 -0.913 -9.455 13.026 1.00 91.26 N ATOM 314 CA GLU A 21 0.079 -10.409 13.506 1.00 91.26 C ATOM 315 C GLU A 21 1.110 -10.692 12.425 1.00 91.26 C ATOM 316 O GLU A 21 2.282 -10.919 12.717 1.00 91.26 O ATOM 317 CB GLU A 21 -0.579 -11.714 13.933 1.00 91.26 C ATOM 318 CG GLU A 21 -1.518 -11.571 15.119 1.00 91.26 C ATOM 319 CD GLU A 21 -2.235 -12.864 15.452 1.00 91.26 C ATOM 320 OE1 GLU A 21 -2.386 -13.710 14.545 1.00 91.26 O ATOM 321 OE2 GLU A 21 -2.657 -13.026 16.615 1.00 91.26 O ATOM 0 H GLU A 21 -1.872 -9.802 13.021 1.00 91.26 H new ATOM 0 HA GLU A 21 0.574 -9.967 14.371 1.00 91.26 H new ATOM 0 HB2 GLU A 21 -1.135 -12.122 13.089 1.00 91.26 H new ATOM 0 HB3 GLU A 21 0.198 -12.437 14.182 1.00 91.26 H new ATOM 0 HG2 GLU A 21 -0.951 -11.239 15.989 1.00 91.26 H new ATOM 0 HG3 GLU A 21 -2.254 -10.796 14.904 1.00 91.26 H new ATOM 328 N GLN A 22 0.666 -10.652 11.173 1.00 87.96 N ATOM 329 CA GLN A 22 1.557 -10.881 10.048 1.00 87.96 C ATOM 330 C GLN A 22 2.456 -9.678 9.882 1.00 87.96 C ATOM 331 O GLN A 22 3.674 -9.808 9.757 1.00 87.96 O ATOM 332 CB GLN A 22 0.773 -11.140 8.766 1.00 87.96 C ATOM 333 CG GLN A 22 1.662 -11.467 7.581 1.00 87.96 C ATOM 334 CD GLN A 22 0.873 -11.939 6.375 1.00 87.96 C ATOM 335 OE1 GLN A 22 0.621 -13.133 6.215 1.00 87.96 O ATOM 336 NE2 GLN A 22 0.472 -11.001 5.525 1.00 87.96 N ATOM 0 H GLN A 22 -0.303 -10.464 10.915 1.00 87.96 H new ATOM 0 HA GLN A 22 2.159 -11.768 10.248 1.00 87.96 H new ATOM 0 HB2 GLN A 22 0.080 -11.965 8.931 1.00 87.96 H new ATOM 0 HB3 GLN A 22 0.172 -10.261 8.531 1.00 87.96 H new ATOM 0 HG2 GLN A 22 2.240 -10.583 7.310 1.00 87.96 H new ATOM 0 HG3 GLN A 22 2.376 -12.239 7.869 1.00 87.96 H new ATOM 0 HE21 GLN A 22 0.704 -10.023 5.698 1.00 87.96 H new ATOM 0 HE22 GLN A 22 -0.068 -11.258 4.699 1.00 87.96 H new ATOM 345 N LEU A 23 1.853 -8.489 9.945 1.00 99.30 N ATOM 346 CA LEU A 23 2.610 -7.259 9.869 1.00 99.30 C ATOM 347 C LEU A 23 3.591 -7.262 11.028 1.00 99.30 C ATOM 348 O LEU A 23 4.781 -7.051 10.860 1.00 99.30 O ATOM 349 CB LEU A 23 1.665 -6.056 9.997 1.00 99.30 C ATOM 350 CG LEU A 23 0.516 -6.012 8.989 1.00 99.30 C ATOM 351 CD1 LEU A 23 -0.330 -4.761 9.188 1.00 99.30 C ATOM 352 CD2 LEU A 23 1.049 -6.078 7.564 1.00 99.30 C ATOM 0 H LEU A 23 0.846 -8.362 10.048 1.00 99.30 H new ATOM 0 HA LEU A 23 3.133 -7.186 8.915 1.00 99.30 H new ATOM 0 HB2 LEU A 23 1.244 -6.052 11.002 1.00 99.30 H new ATOM 0 HB3 LEU A 23 2.251 -5.143 9.894 1.00 99.30 H new ATOM 0 HG LEU A 23 -0.118 -6.882 9.158 1.00 99.30 H new ATOM 0 HD11 LEU A 23 -1.141 -4.751 8.460 1.00 99.30 H new ATOM 0 HD12 LEU A 23 -0.746 -4.760 10.195 1.00 99.30 H new ATOM 0 HD13 LEU A 23 0.291 -3.876 9.051 1.00 99.30 H new ATOM 0 HD21 LEU A 23 0.216 -6.045 6.862 1.00 99.30 H new ATOM 0 HD22 LEU A 23 1.709 -5.230 7.383 1.00 99.30 H new ATOM 0 HD23 LEU A 23 1.604 -7.006 7.426 1.00 99.30 H new ATOM 364 N LYS A 24 3.046 -7.575 12.198 1.00114.71 N ATOM 365 CA LYS A 24 3.808 -7.674 13.436 1.00114.71 C ATOM 366 C LYS A 24 4.937 -8.696 13.296 1.00114.71 C ATOM 367 O LYS A 24 6.058 -8.465 13.747 1.00114.71 O ATOM 368 CB LYS A 24 2.871 -8.091 14.581 1.00114.71 C ATOM 369 CG LYS A 24 1.874 -7.013 14.991 1.00114.71 C ATOM 370 CD LYS A 24 0.701 -7.594 15.772 1.00114.71 C ATOM 371 CE LYS A 24 1.155 -8.376 16.994 1.00114.71 C ATOM 372 NZ LYS A 24 0.061 -9.208 17.572 1.00114.71 N ATOM 0 H LYS A 24 2.051 -7.769 12.314 1.00114.71 H new ATOM 0 HA LYS A 24 4.248 -6.701 13.655 1.00114.71 H new ATOM 0 HB2 LYS A 24 2.322 -8.984 14.281 1.00114.71 H new ATOM 0 HB3 LYS A 24 3.473 -8.363 15.448 1.00114.71 H new ATOM 0 HG2 LYS A 24 2.380 -6.263 15.599 1.00114.71 H new ATOM 0 HG3 LYS A 24 1.502 -6.505 14.101 1.00114.71 H new ATOM 0 HD2 LYS A 24 0.040 -6.786 16.085 1.00114.71 H new ATOM 0 HD3 LYS A 24 0.121 -8.247 15.120 1.00114.71 H new ATOM 0 HE2 LYS A 24 1.992 -9.019 16.721 1.00114.71 H new ATOM 0 HE3 LYS A 24 1.520 -7.682 17.752 1.00114.71 H new ATOM 0 HZ1 LYS A 24 -0.025 -9.010 18.589 1.00114.71 H new ATOM 0 HZ2 LYS A 24 -0.836 -8.980 17.098 1.00114.71 H new ATOM 0 HZ3 LYS A 24 0.280 -10.215 17.433 1.00114.71 H new ATOM 386 N SER A 25 4.629 -9.821 12.648 1.00 75.52 N ATOM 387 CA SER A 25 5.618 -10.876 12.426 1.00 75.52 C ATOM 388 C SER A 25 6.744 -10.336 11.568 1.00 75.52 C ATOM 389 O SER A 25 7.925 -10.558 11.843 1.00 75.52 O ATOM 390 CB SER A 25 4.966 -12.097 11.756 1.00 75.52 C ATOM 391 OG SER A 25 4.002 -12.692 12.609 1.00 75.52 O ATOM 0 H SER A 25 3.704 -10.024 12.269 1.00 75.52 H new ATOM 0 HA SER A 25 6.021 -11.196 13.387 1.00 75.52 H new ATOM 0 HB2 SER A 25 4.492 -11.794 10.822 1.00 75.52 H new ATOM 0 HB3 SER A 25 5.733 -12.829 11.502 1.00 75.52 H new ATOM 0 HG SER A 25 3.439 -11.994 13.004 1.00 75.52 H new ATOM 397 N ALA A 26 6.362 -9.584 10.551 1.00 32.46 N ATOM 398 CA ALA A 26 7.316 -8.952 9.667 1.00 32.46 C ATOM 399 C ALA A 26 8.018 -7.828 10.412 1.00 32.46 C ATOM 400 O ALA A 26 9.201 -7.563 10.200 1.00 32.46 O ATOM 401 CB ALA A 26 6.618 -8.443 8.418 1.00 32.46 C ATOM 0 H ALA A 26 5.387 -9.397 10.318 1.00 32.46 H new ATOM 0 HA ALA A 26 8.065 -9.678 9.349 1.00 32.46 H new ATOM 0 HB1 ALA A 26 7.347 -7.969 7.761 1.00 32.46 H new ATOM 0 HB2 ALA A 26 6.149 -9.278 7.897 1.00 32.46 H new ATOM 0 HB3 ALA A 26 5.856 -7.716 8.698 1.00 32.46 H new ATOM 407 N CYS A 27 7.273 -7.183 11.311 1.00 54.89 N ATOM 408 CA CYS A 27 7.814 -6.105 12.118 1.00 54.89 C ATOM 409 C CYS A 27 8.626 -6.651 13.279 1.00 54.89 C ATOM 410 O CYS A 27 9.160 -5.881 14.061 1.00 54.89 O ATOM 411 CB CYS A 27 6.715 -5.214 12.685 1.00 54.89 C ATOM 412 SG CYS A 27 5.648 -4.443 11.457 1.00 54.89 S ATOM 0 H CYS A 27 6.292 -7.394 11.494 1.00 54.89 H new ATOM 0 HA CYS A 27 8.450 -5.516 11.457 1.00 54.89 H new ATOM 0 HB2 CYS A 27 6.098 -5.809 13.358 1.00 54.89 H new ATOM 0 HB3 CYS A 27 7.177 -4.430 13.285 1.00 54.89 H new ATOM 0 HG CYS A 27 5.012 -3.447 11.999 1.00 54.89 H new ATOM 418 N LYS A 28 8.726 -7.975 13.418 1.00157.95 N ATOM 419 CA LYS A 28 9.495 -8.546 14.527 1.00157.95 C ATOM 420 C LYS A 28 10.889 -7.927 14.570 1.00157.95 C ATOM 421 O LYS A 28 11.450 -7.687 15.640 1.00157.95 O ATOM 422 CB LYS A 28 9.608 -10.063 14.370 1.00157.95 C ATOM 423 CG LYS A 28 8.305 -10.800 14.628 1.00157.95 C ATOM 424 CD LYS A 28 8.166 -11.202 16.090 1.00157.95 C ATOM 425 CE LYS A 28 8.407 -12.691 16.285 1.00157.95 C ATOM 426 NZ LYS A 28 9.079 -12.980 17.583 1.00157.95 N ATOM 0 H LYS A 28 8.296 -8.658 12.794 1.00157.95 H new ATOM 0 HA LYS A 28 8.976 -8.325 15.460 1.00157.95 H new ATOM 0 HB2 LYS A 28 9.951 -10.291 13.361 1.00157.95 H new ATOM 0 HB3 LYS A 28 10.368 -10.435 15.057 1.00157.95 H new ATOM 0 HG2 LYS A 28 7.466 -10.166 14.344 1.00157.95 H new ATOM 0 HG3 LYS A 28 8.259 -11.690 14.000 1.00157.95 H new ATOM 0 HD2 LYS A 28 8.876 -10.636 16.693 1.00157.95 H new ATOM 0 HD3 LYS A 28 7.168 -10.944 16.446 1.00157.95 H new ATOM 0 HE2 LYS A 28 7.456 -13.221 16.243 1.00157.95 H new ATOM 0 HE3 LYS A 28 9.020 -13.070 15.467 1.00157.95 H new ATOM 0 HZ1 LYS A 28 9.225 -14.005 17.677 1.00157.95 H new ATOM 0 HZ2 LYS A 28 9.998 -12.495 17.613 1.00157.95 H new ATOM 0 HZ3 LYS A 28 8.483 -12.642 18.365 1.00157.95 H new ATOM 440 N GLU A 29 11.416 -7.648 13.387 1.00243.70 N ATOM 441 CA GLU A 29 12.723 -7.027 13.241 1.00243.70 C ATOM 442 C GLU A 29 12.695 -5.531 13.566 1.00243.70 C ATOM 443 O GLU A 29 13.660 -4.987 14.101 1.00243.70 O ATOM 444 CB GLU A 29 13.226 -7.217 11.808 1.00243.70 C ATOM 445 CG GLU A 29 13.491 -8.663 11.428 1.00243.70 C ATOM 446 CD GLU A 29 13.972 -8.812 9.995 1.00243.70 C ATOM 447 OE1 GLU A 29 14.057 -7.788 9.282 1.00243.70 O ATOM 448 OE2 GLU A 29 14.267 -9.955 9.585 1.00243.70 O ATOM 0 H GLU A 29 10.949 -7.846 12.502 1.00243.70 H new ATOM 0 HA GLU A 29 13.393 -7.512 13.951 1.00243.70 H new ATOM 0 HB2 GLU A 29 12.491 -6.801 11.119 1.00243.70 H new ATOM 0 HB3 GLU A 29 14.145 -6.645 11.678 1.00243.70 H new ATOM 0 HG2 GLU A 29 14.238 -9.081 12.103 1.00243.70 H new ATOM 0 HG3 GLU A 29 12.578 -9.243 11.563 1.00243.70 H new ATOM 455 N ASP A 30 11.609 -4.859 13.186 1.00108.85 N ATOM 456 CA ASP A 30 11.489 -3.413 13.384 1.00108.85 C ATOM 457 C ASP A 30 10.816 -3.016 14.697 1.00108.85 C ATOM 458 O ASP A 30 11.268 -2.095 15.379 1.00108.85 O ATOM 459 CB ASP A 30 10.702 -2.814 12.217 1.00108.85 C ATOM 460 CG ASP A 30 11.460 -2.883 10.909 1.00108.85 C ATOM 461 OD1 ASP A 30 12.690 -3.094 10.942 1.00108.85 O ATOM 462 OD2 ASP A 30 10.822 -2.721 9.849 1.00108.85 O ATOM 0 H ASP A 30 10.800 -5.291 12.740 1.00108.85 H new ATOM 0 HA ASP A 30 12.505 -3.022 13.429 1.00108.85 H new ATOM 0 HB2 ASP A 30 9.755 -3.343 12.112 1.00108.85 H new ATOM 0 HB3 ASP A 30 10.463 -1.774 12.440 1.00108.85 H new ATOM 467 N ILE A 31 9.715 -3.675 15.023 1.00355.97 N ATOM 468 CA ILE A 31 8.954 -3.357 16.217 1.00355.97 C ATOM 469 C ILE A 31 9.111 -4.426 17.306 1.00355.97 C ATOM 470 O ILE A 31 8.963 -5.619 17.034 1.00355.97 O ATOM 471 CB ILE A 31 7.471 -3.140 15.843 1.00355.97 C ATOM 472 CG1 ILE A 31 6.810 -2.209 16.855 1.00355.97 C ATOM 473 CG2 ILE A 31 6.699 -4.447 15.671 1.00355.97 C ATOM 474 CD1 ILE A 31 6.307 -2.876 18.112 1.00355.97 C ATOM 0 H ILE A 31 9.327 -4.440 14.471 1.00355.97 H new ATOM 0 HA ILE A 31 9.351 -2.434 16.640 1.00355.97 H new ATOM 0 HB ILE A 31 7.444 -2.663 14.863 1.00355.97 H new ATOM 0 HG12 ILE A 31 7.526 -1.436 17.135 1.00355.97 H new ATOM 0 HG13 ILE A 31 5.973 -1.707 16.370 1.00355.97 H new ATOM 0 HG21 ILE A 31 5.664 -4.227 15.409 1.00355.97 H new ATOM 0 HG22 ILE A 31 7.156 -5.038 14.877 1.00355.97 H new ATOM 0 HG23 ILE A 31 6.725 -5.010 16.604 1.00355.97 H new ATOM 0 HD11 ILE A 31 5.855 -2.129 18.765 1.00355.97 H new ATOM 0 HD12 ILE A 31 5.562 -3.628 17.852 1.00355.97 H new ATOM 0 HD13 ILE A 31 7.140 -3.353 18.629 1.00355.97 H new ATOM 486 N PRO A 32 9.436 -4.023 18.557 1.00153.08 N ATOM 487 CA PRO A 32 9.634 -4.972 19.649 1.00153.08 C ATOM 488 C PRO A 32 8.415 -5.832 19.952 1.00153.08 C ATOM 489 O PRO A 32 7.275 -5.370 19.890 1.00153.08 O ATOM 490 CB PRO A 32 9.975 -4.097 20.858 1.00153.08 C ATOM 491 CG PRO A 32 10.426 -2.801 20.285 1.00153.08 C ATOM 492 CD PRO A 32 9.665 -2.633 19.003 1.00153.08 C ATOM 0 HA PRO A 32 10.412 -5.688 19.386 1.00153.08 H new ATOM 0 HB2 PRO A 32 9.107 -3.962 21.504 1.00153.08 H new ATOM 0 HB3 PRO A 32 10.757 -4.552 21.466 1.00153.08 H new ATOM 0 HG2 PRO A 32 10.223 -1.979 20.971 1.00153.08 H new ATOM 0 HG3 PRO A 32 11.501 -2.807 20.104 1.00153.08 H new ATOM 0 HD2 PRO A 32 8.726 -2.101 19.159 1.00153.08 H new ATOM 0 HD3 PRO A 32 10.235 -2.064 18.269 1.00153.08 H new ATOM 500 N SER A 33 8.682 -7.088 20.300 1.00 84.70 N ATOM 501 CA SER A 33 7.633 -8.038 20.643 1.00 84.70 C ATOM 502 C SER A 33 6.886 -7.584 21.894 1.00 84.70 C ATOM 503 O SER A 33 5.684 -7.812 22.032 1.00 84.70 O ATOM 504 CB SER A 33 8.238 -9.426 20.862 1.00 84.70 C ATOM 505 OG SER A 33 7.238 -10.369 21.208 1.00 84.70 O ATOM 0 H SER A 33 9.626 -7.472 20.351 1.00 84.70 H new ATOM 0 HA SER A 33 6.922 -8.086 19.818 1.00 84.70 H new ATOM 0 HB2 SER A 33 8.750 -9.750 19.956 1.00 84.70 H new ATOM 0 HB3 SER A 33 8.987 -9.379 21.652 1.00 84.70 H new ATOM 0 HG SER A 33 7.650 -11.248 21.341 1.00 84.70 H new ATOM 511 N GLU A 34 7.612 -6.934 22.801 1.00109.83 N ATOM 512 CA GLU A 34 7.032 -6.433 24.041 1.00109.83 C ATOM 513 C GLU A 34 5.911 -5.434 23.754 1.00109.83 C ATOM 514 O GLU A 34 5.008 -5.248 24.569 1.00109.83 O ATOM 515 CB GLU A 34 8.119 -5.800 24.912 1.00109.83 C ATOM 516 CG GLU A 34 7.614 -5.311 26.260 1.00109.83 C ATOM 517 CD GLU A 34 8.699 -4.644 27.089 1.00109.83 C ATOM 518 OE1 GLU A 34 9.836 -4.510 26.590 1.00109.83 O ATOM 519 OE2 GLU A 34 8.409 -4.259 28.242 1.00109.83 O ATOM 0 H GLU A 34 8.608 -6.742 22.698 1.00109.83 H new ATOM 0 HA GLU A 34 6.597 -7.272 24.585 1.00109.83 H new ATOM 0 HB2 GLU A 34 8.913 -6.529 25.074 1.00109.83 H new ATOM 0 HB3 GLU A 34 8.561 -4.962 24.374 1.00109.83 H new ATOM 0 HG2 GLU A 34 6.798 -4.606 26.103 1.00109.83 H new ATOM 0 HG3 GLU A 34 7.204 -6.154 26.817 1.00109.83 H new ATOM 526 N LYS A 35 5.962 -4.812 22.581 1.00 73.01 N ATOM 527 CA LYS A 35 4.941 -3.859 22.172 1.00 73.01 C ATOM 528 C LYS A 35 3.912 -4.542 21.274 1.00 73.01 C ATOM 529 O LYS A 35 2.745 -4.156 21.238 1.00 73.01 O ATOM 530 CB LYS A 35 5.593 -2.698 21.427 1.00 73.01 C ATOM 531 CG LYS A 35 6.516 -1.878 22.303 1.00 73.01 C ATOM 532 CD LYS A 35 5.717 -1.025 23.277 1.00 73.01 C ATOM 533 CE LYS A 35 6.609 -0.068 24.054 1.00 73.01 C ATOM 534 NZ LYS A 35 7.270 -0.737 25.208 1.00 73.01 N ATOM 0 H LYS A 35 6.704 -4.953 21.895 1.00 73.01 H new ATOM 0 HA LYS A 35 4.434 -3.479 23.059 1.00 73.01 H new ATOM 0 HB2 LYS A 35 6.157 -3.088 20.579 1.00 73.01 H new ATOM 0 HB3 LYS A 35 4.815 -2.051 21.022 1.00 73.01 H new ATOM 0 HG2 LYS A 35 7.184 -2.539 22.855 1.00 73.01 H new ATOM 0 HG3 LYS A 35 7.142 -1.238 21.681 1.00 73.01 H new ATOM 0 HD2 LYS A 35 4.964 -0.457 22.730 1.00 73.01 H new ATOM 0 HD3 LYS A 35 5.184 -1.672 23.974 1.00 73.01 H new ATOM 0 HE2 LYS A 35 7.369 0.341 23.388 1.00 73.01 H new ATOM 0 HE3 LYS A 35 6.014 0.772 24.413 1.00 73.01 H new ATOM 0 HZ1 LYS A 35 7.868 -0.051 25.711 1.00 73.01 H new ATOM 0 HZ2 LYS A 35 6.546 -1.106 25.857 1.00 73.01 H new ATOM 0 HZ3 LYS A 35 7.858 -1.522 24.864 1.00 73.01 H new ATOM 548 N SER A 36 4.361 -5.573 20.569 1.00 80.12 N ATOM 549 CA SER A 36 3.512 -6.347 19.677 1.00 80.12 C ATOM 550 C SER A 36 2.328 -6.955 20.427 1.00 80.12 C ATOM 551 O SER A 36 1.244 -7.121 19.872 1.00 80.12 O ATOM 552 CB SER A 36 4.352 -7.447 19.032 1.00 80.12 C ATOM 553 OG SER A 36 3.576 -8.278 18.195 1.00 80.12 O ATOM 0 H SER A 36 5.328 -5.896 20.601 1.00 80.12 H new ATOM 0 HA SER A 36 3.108 -5.687 18.909 1.00 80.12 H new ATOM 0 HB2 SER A 36 5.157 -6.996 18.451 1.00 80.12 H new ATOM 0 HB3 SER A 36 4.820 -8.050 19.810 1.00 80.12 H new ATOM 0 HG SER A 36 4.148 -8.969 17.799 1.00 80.12 H new ATOM 559 N GLU A 37 2.551 -7.294 21.689 1.00 42.03 N ATOM 560 CA GLU A 37 1.511 -7.896 22.515 1.00 42.03 C ATOM 561 C GLU A 37 0.297 -6.977 22.630 1.00 42.03 C ATOM 562 O GLU A 37 -0.842 -7.446 22.679 1.00 42.03 O ATOM 563 CB GLU A 37 2.073 -8.209 23.901 1.00 42.03 C ATOM 564 CG GLU A 37 3.189 -9.243 23.879 1.00 42.03 C ATOM 565 CD GLU A 37 3.804 -9.475 25.250 1.00 42.03 C ATOM 566 OE1 GLU A 37 3.426 -8.760 26.200 1.00 42.03 O ATOM 567 OE2 GLU A 37 4.661 -10.374 25.370 1.00 42.03 O ATOM 0 H GLU A 37 3.444 -7.163 22.165 1.00 42.03 H new ATOM 0 HA GLU A 37 1.184 -8.821 22.040 1.00 42.03 H new ATOM 0 HB2 GLU A 37 2.448 -7.289 24.349 1.00 42.03 H new ATOM 0 HB3 GLU A 37 1.266 -8.569 24.540 1.00 42.03 H new ATOM 0 HG2 GLU A 37 2.797 -10.186 23.497 1.00 42.03 H new ATOM 0 HG3 GLU A 37 3.966 -8.918 23.188 1.00 42.03 H new ATOM 574 N GLU A 38 0.537 -5.668 22.665 1.00 75.99 N ATOM 575 CA GLU A 38 -0.555 -4.702 22.761 1.00 75.99 C ATOM 576 C GLU A 38 -1.026 -4.213 21.395 1.00 75.99 C ATOM 577 O GLU A 38 -1.959 -3.413 21.309 1.00 75.99 O ATOM 578 CB GLU A 38 -0.167 -3.512 23.638 1.00 75.99 C ATOM 579 CG GLU A 38 1.060 -2.755 23.150 1.00 75.99 C ATOM 580 CD GLU A 38 1.378 -1.537 23.999 1.00 75.99 C ATOM 581 OE1 GLU A 38 0.576 -1.212 24.901 1.00 75.99 O ATOM 582 OE2 GLU A 38 2.428 -0.907 23.760 1.00 75.99 O ATOM 0 H GLU A 38 1.469 -5.255 22.629 1.00 75.99 H new ATOM 0 HA GLU A 38 -1.388 -5.229 23.227 1.00 75.99 H new ATOM 0 HB2 GLU A 38 -1.010 -2.822 23.690 1.00 75.99 H new ATOM 0 HB3 GLU A 38 0.017 -3.866 24.652 1.00 75.99 H new ATOM 0 HG2 GLU A 38 1.919 -3.426 23.150 1.00 75.99 H new ATOM 0 HG3 GLU A 38 0.901 -2.441 22.118 1.00 75.99 H new ATOM 589 N ILE A 39 -0.399 -4.693 20.334 1.00131.16 N ATOM 590 CA ILE A 39 -0.790 -4.293 18.995 1.00131.16 C ATOM 591 C ILE A 39 -1.902 -5.192 18.477 1.00131.16 C ATOM 592 O ILE A 39 -1.677 -6.110 17.687 1.00131.16 O ATOM 593 CB ILE A 39 0.417 -4.269 18.033 1.00131.16 C ATOM 594 CG1 ILE A 39 1.379 -3.184 18.498 1.00131.16 C ATOM 595 CG2 ILE A 39 -0.019 -4.010 16.592 1.00131.16 C ATOM 596 CD1 ILE A 39 2.690 -3.171 17.759 1.00131.16 C ATOM 0 H ILE A 39 0.376 -5.355 20.374 1.00131.16 H new ATOM 0 HA ILE A 39 -1.173 -3.274 19.044 1.00131.16 H new ATOM 0 HB ILE A 39 0.907 -5.243 18.050 1.00131.16 H new ATOM 0 HG12 ILE A 39 0.898 -2.213 18.382 1.00131.16 H new ATOM 0 HG13 ILE A 39 1.575 -3.318 19.562 1.00131.16 H new ATOM 0 HG21 ILE A 39 0.857 -4.000 15.943 1.00131.16 H new ATOM 0 HG22 ILE A 39 -0.700 -4.798 16.271 1.00131.16 H new ATOM 0 HG23 ILE A 39 -0.526 -3.047 16.533 1.00131.16 H new ATOM 0 HD11 ILE A 39 3.319 -2.371 18.148 1.00131.16 H new ATOM 0 HD12 ILE A 39 3.194 -4.128 17.896 1.00131.16 H new ATOM 0 HD13 ILE A 39 2.508 -3.005 16.697 1.00131.16 H new ATOM 608 N THR A 40 -3.109 -4.890 18.932 1.00160.31 N ATOM 609 CA THR A 40 -4.304 -5.626 18.535 1.00160.31 C ATOM 610 C THR A 40 -5.087 -4.882 17.441 1.00160.31 C ATOM 611 O THR A 40 -6.135 -5.344 16.987 1.00160.31 O ATOM 612 CB THR A 40 -5.219 -5.935 19.758 1.00160.31 C ATOM 613 OG1 THR A 40 -6.580 -6.094 19.341 1.00160.31 O ATOM 614 CG2 THR A 40 -5.137 -4.842 20.827 1.00160.31 C ATOM 0 H THR A 40 -3.289 -4.129 19.586 1.00160.31 H new ATOM 0 HA THR A 40 -3.971 -6.577 18.119 1.00160.31 H new ATOM 0 HB THR A 40 -4.859 -6.866 20.197 1.00160.31 H new ATOM 0 HG1 THR A 40 -6.610 -6.241 18.372 1.00160.31 H new ATOM 0 HG21 THR A 40 -5.791 -5.099 21.661 1.00160.31 H new ATOM 0 HG22 THR A 40 -4.110 -4.758 21.183 1.00160.31 H new ATOM 0 HG23 THR A 40 -5.452 -3.890 20.399 1.00160.31 H new ATOM 622 N THR A 41 -4.554 -3.738 17.022 1.00182.91 N ATOM 623 CA THR A 41 -5.149 -2.911 15.984 1.00182.91 C ATOM 624 C THR A 41 -4.090 -2.101 15.286 1.00182.91 C ATOM 625 O THR A 41 -3.076 -1.735 15.882 1.00182.91 O ATOM 626 CB THR A 41 -6.234 -1.939 16.521 1.00182.91 C ATOM 627 OG1 THR A 41 -6.324 -0.759 15.705 1.00182.91 O ATOM 628 CG2 THR A 41 -6.009 -1.524 17.976 1.00182.91 C ATOM 0 H THR A 41 -3.687 -3.357 17.400 1.00182.91 H new ATOM 0 HA THR A 41 -5.630 -3.603 15.292 1.00182.91 H new ATOM 0 HB THR A 41 -7.170 -2.496 16.476 1.00182.91 H new ATOM 0 HG1 THR A 41 -7.191 -0.326 15.850 1.00182.91 H new ATOM 0 HG21 THR A 41 -6.803 -0.845 18.288 1.00182.91 H new ATOM 0 HG22 THR A 41 -6.018 -2.409 18.612 1.00182.91 H new ATOM 0 HG23 THR A 41 -5.046 -1.022 18.066 1.00182.91 H new ATOM 636 N GLY A 42 -4.369 -1.751 14.038 1.00 66.60 N ATOM 637 CA GLY A 42 -3.459 -0.899 13.314 1.00 66.60 C ATOM 638 C GLY A 42 -3.362 0.430 14.030 1.00 66.60 C ATOM 639 O GLY A 42 -2.313 1.071 14.046 1.00 66.60 O ATOM 0 H GLY A 42 -5.200 -2.040 13.522 1.00 66.60 H new ATOM 0 HA2 GLY A 42 -2.476 -1.365 13.249 1.00 66.60 H new ATOM 0 HA3 GLY A 42 -3.811 -0.753 12.293 1.00 66.60 H new ATOM 643 N SER A 43 -4.469 0.810 14.684 1.00 41.24 N ATOM 644 CA SER A 43 -4.504 2.027 15.471 1.00 41.24 C ATOM 645 C SER A 43 -3.542 1.883 16.640 1.00 41.24 C ATOM 646 O SER A 43 -2.782 2.797 16.960 1.00 41.24 O ATOM 647 CB SER A 43 -5.920 2.301 15.981 1.00 41.24 C ATOM 648 OG SER A 43 -6.859 2.291 14.922 1.00 41.24 O ATOM 0 H SER A 43 -5.344 0.286 14.677 1.00 41.24 H new ATOM 0 HA SER A 43 -4.204 2.869 14.847 1.00 41.24 H new ATOM 0 HB2 SER A 43 -6.194 1.549 16.720 1.00 41.24 H new ATOM 0 HB3 SER A 43 -5.947 3.267 16.485 1.00 41.24 H new ATOM 0 HG SER A 43 -6.533 2.856 14.190 1.00 41.24 H new ATOM 654 N ALA A 44 -3.580 0.703 17.263 1.00 31.60 N ATOM 655 CA ALA A 44 -2.708 0.398 18.392 1.00 31.60 C ATOM 656 C ALA A 44 -1.250 0.415 17.964 1.00 31.60 C ATOM 657 O ALA A 44 -0.368 0.835 18.715 1.00 31.60 O ATOM 658 CB ALA A 44 -3.054 -0.965 18.969 1.00 31.60 C ATOM 0 H ALA A 44 -4.208 -0.057 17.001 1.00 31.60 H new ATOM 0 HA ALA A 44 -2.859 1.162 19.155 1.00 31.60 H new ATOM 0 HB1 ALA A 44 -2.396 -1.181 19.811 1.00 31.60 H new ATOM 0 HB2 ALA A 44 -4.090 -0.964 19.308 1.00 31.60 H new ATOM 0 HB3 ALA A 44 -2.924 -1.728 18.202 1.00 31.60 H new ATOM 664 N TRP A 45 -1.009 -0.050 16.744 1.00 71.86 N ATOM 665 CA TRP A 45 0.333 -0.104 16.189 1.00 71.86 C ATOM 666 C TRP A 45 0.772 1.263 15.747 1.00 71.86 C ATOM 667 O TRP A 45 1.805 1.755 16.185 1.00 71.86 O ATOM 668 CB TRP A 45 0.374 -1.049 14.997 1.00 71.86 C ATOM 669 CG TRP A 45 1.746 -1.254 14.450 1.00 71.86 C ATOM 670 CD1 TRP A 45 2.922 -1.334 15.144 1.00 71.86 C ATOM 671 CD2 TRP A 45 2.077 -1.406 13.077 1.00 71.86 C ATOM 672 NE1 TRP A 45 3.963 -1.520 14.268 1.00 71.86 N ATOM 673 CE2 TRP A 45 3.467 -1.566 12.996 1.00 71.86 C ATOM 674 CE3 TRP A 45 1.325 -1.420 11.905 1.00 71.86 C ATOM 675 CZ2 TRP A 45 4.122 -1.735 11.788 1.00 71.86 C ATOM 676 CZ3 TRP A 45 1.973 -1.594 10.707 1.00 71.86 C ATOM 677 CH2 TRP A 45 3.366 -1.750 10.652 1.00 71.86 C ATOM 0 H TRP A 45 -1.735 -0.398 16.117 1.00 71.86 H new ATOM 0 HA TRP A 45 1.007 -0.468 16.965 1.00 71.86 H new ATOM 0 HB2 TRP A 45 -0.039 -2.013 15.293 1.00 71.86 H new ATOM 0 HB3 TRP A 45 -0.268 -0.656 14.209 1.00 71.86 H new ATOM 0 HD1 TRP A 45 3.017 -1.262 16.217 1.00 71.86 H new ATOM 0 HE1 TRP A 45 4.946 -1.609 14.525 1.00 71.86 H new ATOM 0 HE3 TRP A 45 0.253 -1.296 11.938 1.00 71.86 H new ATOM 0 HZ2 TRP A 45 5.195 -1.851 11.746 1.00 71.86 H new ATOM 0 HZ3 TRP A 45 1.400 -1.611 9.791 1.00 71.86 H new ATOM 0 HH2 TRP A 45 3.848 -1.884 9.695 1.00 71.86 H new ATOM 688 N PHE A 46 -0.023 1.891 14.886 1.00 81.71 N ATOM 689 CA PHE A 46 0.299 3.217 14.413 1.00 81.71 C ATOM 690 C PHE A 46 0.455 4.164 15.590 1.00 81.71 C ATOM 691 O PHE A 46 1.312 5.028 15.578 1.00 81.71 O ATOM 692 CB PHE A 46 -0.784 3.735 13.484 1.00 81.71 C ATOM 693 CG PHE A 46 -0.884 3.004 12.177 1.00 81.71 C ATOM 694 CD1 PHE A 46 0.237 2.771 11.394 1.00 81.71 C ATOM 695 CD2 PHE A 46 -2.113 2.588 11.718 1.00 81.71 C ATOM 696 CE1 PHE A 46 0.122 2.136 10.168 1.00 81.71 C ATOM 697 CE2 PHE A 46 -2.235 1.954 10.500 1.00 81.71 C ATOM 698 CZ PHE A 46 -1.121 1.730 9.721 1.00 81.71 C ATOM 0 H PHE A 46 -0.886 1.500 14.509 1.00 81.71 H new ATOM 0 HA PHE A 46 1.237 3.165 13.861 1.00 81.71 H new ATOM 0 HB2 PHE A 46 -1.745 3.672 13.995 1.00 81.71 H new ATOM 0 HB3 PHE A 46 -0.598 4.790 13.283 1.00 81.71 H new ATOM 0 HD1 PHE A 46 1.209 3.088 11.743 1.00 81.71 H new ATOM 0 HD2 PHE A 46 -2.993 2.760 12.320 1.00 81.71 H new ATOM 0 HE1 PHE A 46 1.000 1.959 9.564 1.00 81.71 H new ATOM 0 HE2 PHE A 46 -3.207 1.632 10.155 1.00 81.71 H new ATOM 0 HZ PHE A 46 -1.219 1.239 8.764 1.00 81.71 H new ATOM 708 N SER A 47 -0.368 3.977 16.619 1.00 81.62 N ATOM 709 CA SER A 47 -0.270 4.823 17.804 1.00 81.62 C ATOM 710 C SER A 47 1.061 4.603 18.487 1.00 81.62 C ATOM 711 O SER A 47 1.746 5.559 18.853 1.00 81.62 O ATOM 712 CB SER A 47 -1.419 4.551 18.775 1.00 81.62 C ATOM 713 OG SER A 47 -2.662 4.936 18.216 1.00 81.62 O ATOM 0 H SER A 47 -1.095 3.263 16.657 1.00 81.62 H new ATOM 0 HA SER A 47 -0.341 5.864 17.487 1.00 81.62 H new ATOM 0 HB2 SER A 47 -1.443 3.491 19.027 1.00 81.62 H new ATOM 0 HB3 SER A 47 -1.250 5.096 19.704 1.00 81.62 H new ATOM 0 HG SER A 47 -3.128 4.143 17.878 1.00 81.62 H new ATOM 719 N PHE A 48 1.460 3.340 18.611 1.00 49.76 N ATOM 720 CA PHE A 48 2.743 3.023 19.193 1.00 49.76 C ATOM 721 C PHE A 48 3.825 3.590 18.267 1.00 49.76 C ATOM 722 O PHE A 48 4.773 4.238 18.709 1.00 49.76 O ATOM 723 CB PHE A 48 2.888 1.503 19.370 1.00 49.76 C ATOM 724 CG PHE A 48 4.308 1.069 19.284 1.00 49.76 C ATOM 725 CD1 PHE A 48 4.844 0.778 18.056 1.00 49.76 C ATOM 726 CD2 PHE A 48 5.109 1.039 20.401 1.00 49.76 C ATOM 727 CE1 PHE A 48 6.173 0.454 17.933 1.00 49.76 C ATOM 728 CE2 PHE A 48 6.443 0.701 20.295 1.00 49.76 C ATOM 729 CZ PHE A 48 6.979 0.408 19.056 1.00 49.76 C ATOM 0 H PHE A 48 0.912 2.532 18.316 1.00 49.76 H new ATOM 0 HA PHE A 48 2.841 3.467 20.184 1.00 49.76 H new ATOM 0 HB2 PHE A 48 2.476 1.209 20.335 1.00 49.76 H new ATOM 0 HB3 PHE A 48 2.305 0.991 18.605 1.00 49.76 H new ATOM 0 HD1 PHE A 48 4.216 0.804 17.178 1.00 49.76 H new ATOM 0 HD2 PHE A 48 4.692 1.281 21.367 1.00 49.76 H new ATOM 0 HE1 PHE A 48 6.588 0.235 16.960 1.00 49.76 H new ATOM 0 HE2 PHE A 48 7.065 0.666 21.177 1.00 49.76 H new ATOM 0 HZ PHE A 48 8.022 0.144 18.965 1.00 49.76 H new ATOM 739 N LEU A 49 3.641 3.343 16.971 1.00 52.14 N ATOM 740 CA LEU A 49 4.558 3.824 15.947 1.00 52.14 C ATOM 741 C LEU A 49 4.686 5.345 16.058 1.00 52.14 C ATOM 742 O LEU A 49 5.789 5.894 16.061 1.00 52.14 O ATOM 743 CB LEU A 49 4.032 3.419 14.560 1.00 52.14 C ATOM 744 CG LEU A 49 4.863 2.371 13.807 1.00 52.14 C ATOM 745 CD1 LEU A 49 5.221 1.209 14.720 1.00 52.14 C ATOM 746 CD2 LEU A 49 4.104 1.870 12.588 1.00 52.14 C ATOM 0 H LEU A 49 2.855 2.806 16.606 1.00 52.14 H new ATOM 0 HA LEU A 49 5.544 3.380 16.087 1.00 52.14 H new ATOM 0 HB2 LEU A 49 3.018 3.036 14.675 1.00 52.14 H new ATOM 0 HB3 LEU A 49 3.966 4.315 13.942 1.00 52.14 H new ATOM 0 HG LEU A 49 5.788 2.843 13.474 1.00 52.14 H new ATOM 0 HD11 LEU A 49 5.810 0.478 14.165 1.00 52.14 H new ATOM 0 HD12 LEU A 49 5.802 1.576 15.566 1.00 52.14 H new ATOM 0 HD13 LEU A 49 4.308 0.738 15.084 1.00 52.14 H new ATOM 0 HD21 LEU A 49 4.706 1.127 12.064 1.00 52.14 H new ATOM 0 HD22 LEU A 49 3.165 1.417 12.905 1.00 52.14 H new ATOM 0 HD23 LEU A 49 3.897 2.706 11.920 1.00 52.14 H new ATOM 758 N GLU A 50 3.535 6.010 16.184 1.00 63.10 N ATOM 759 CA GLU A 50 3.498 7.461 16.341 1.00 63.10 C ATOM 760 C GLU A 50 4.141 7.854 17.660 1.00 63.10 C ATOM 761 O GLU A 50 4.900 8.821 17.736 1.00 63.10 O ATOM 762 CB GLU A 50 2.063 7.995 16.295 1.00 63.10 C ATOM 763 CG GLU A 50 1.430 7.968 14.912 1.00 63.10 C ATOM 764 CD GLU A 50 0.018 8.528 14.898 1.00 63.10 C ATOM 765 OE1 GLU A 50 -0.559 8.716 15.989 1.00 63.10 O ATOM 766 OE2 GLU A 50 -0.508 8.780 13.795 1.00 63.10 O ATOM 0 H GLU A 50 2.618 5.564 16.180 1.00 63.10 H new ATOM 0 HA GLU A 50 4.052 7.900 15.511 1.00 63.10 H new ATOM 0 HB2 GLU A 50 1.447 7.407 16.975 1.00 63.10 H new ATOM 0 HB3 GLU A 50 2.057 9.020 16.665 1.00 63.10 H new ATOM 0 HG2 GLU A 50 2.050 8.541 14.223 1.00 63.10 H new ATOM 0 HG3 GLU A 50 1.412 6.941 14.546 1.00 63.10 H new ATOM 773 N SER A 51 3.835 7.080 18.701 1.00 75.02 N ATOM 774 CA SER A 51 4.390 7.328 20.028 1.00 75.02 C ATOM 775 C SER A 51 5.912 7.273 19.984 1.00 75.02 C ATOM 776 O SER A 51 6.593 7.954 20.751 1.00 75.02 O ATOM 777 CB SER A 51 3.853 6.314 21.040 1.00 75.02 C ATOM 778 OG SER A 51 2.440 6.390 21.136 1.00 75.02 O ATOM 0 H SER A 51 3.207 6.278 18.650 1.00 75.02 H new ATOM 0 HA SER A 51 4.083 8.325 20.345 1.00 75.02 H new ATOM 0 HB2 SER A 51 4.147 5.307 20.742 1.00 75.02 H new ATOM 0 HB3 SER A 51 4.298 6.500 22.018 1.00 75.02 H new ATOM 0 HG SER A 51 2.045 6.277 20.246 1.00 75.02 H new ATOM 784 N HIS A 52 6.440 6.472 19.061 1.00122.90 N ATOM 785 CA HIS A 52 7.880 6.346 18.891 1.00122.90 C ATOM 786 C HIS A 52 8.305 7.086 17.631 1.00122.90 C ATOM 787 O HIS A 52 7.487 7.739 16.982 1.00122.90 O ATOM 788 CB HIS A 52 8.299 4.877 18.795 1.00122.90 C ATOM 789 CG HIS A 52 8.171 4.144 20.082 1.00122.90 C ATOM 790 ND1 HIS A 52 9.241 3.618 20.778 1.00122.90 N ATOM 791 CD2 HIS A 52 7.075 3.850 20.795 1.00122.90 C ATOM 792 CE1 HIS A 52 8.797 3.023 21.872 1.00122.90 C ATOM 793 NE2 HIS A 52 7.482 3.150 21.907 1.00122.90 N ATOM 0 H HIS A 52 5.889 5.901 18.420 1.00122.90 H new ATOM 0 HA HIS A 52 8.371 6.781 19.762 1.00122.90 H new ATOM 0 HB2 HIS A 52 7.689 4.381 18.040 1.00122.90 H new ATOM 0 HB3 HIS A 52 9.333 4.823 18.455 1.00122.90 H new ATOM 0 HD2 HIS A 52 6.059 4.114 20.543 1.00122.90 H new ATOM 0 HE1 HIS A 52 9.404 2.520 22.610 1.00122.90 H new ATOM 0 HE2 HIS A 52 6.870 2.788 22.638 1.00122.90 H new ATOM 801 N ASN A 53 9.578 6.980 17.279 1.00225.56 N ATOM 802 CA ASN A 53 10.093 7.640 16.088 1.00225.56 C ATOM 803 C ASN A 53 10.052 6.706 14.880 1.00225.56 C ATOM 804 O ASN A 53 10.945 6.731 14.032 1.00225.56 O ATOM 805 CB ASN A 53 11.517 8.135 16.336 1.00225.56 C ATOM 806 CG ASN A 53 11.584 9.088 17.512 1.00225.56 C ATOM 807 OD1 ASN A 53 10.751 9.985 17.646 1.00225.56 O ATOM 808 ND2 ASN A 53 12.570 8.893 18.379 1.00225.56 N ATOM 0 H ASN A 53 10.272 6.444 17.800 1.00225.56 H new ATOM 0 HA ASN A 53 9.455 8.497 15.869 1.00225.56 H new ATOM 0 HB2 ASN A 53 12.171 7.283 16.521 1.00225.56 H new ATOM 0 HB3 ASN A 53 11.889 8.634 15.442 1.00225.56 H new ATOM 0 HD21 ASN A 53 12.659 9.499 19.195 1.00225.56 H new ATOM 0 HD22 ASN A 53 13.239 8.137 18.229 1.00225.56 H new ATOM 815 N LYS A 54 9.011 5.879 14.813 1.00217.59 N ATOM 816 CA LYS A 54 8.854 4.935 13.714 1.00217.59 C ATOM 817 C LYS A 54 7.849 5.427 12.680 1.00217.59 C ATOM 818 O LYS A 54 7.796 4.896 11.573 1.00217.59 O ATOM 819 CB LYS A 54 8.371 3.589 14.242 1.00217.59 C ATOM 820 CG LYS A 54 9.254 2.990 15.321 1.00217.59 C ATOM 821 CD LYS A 54 10.649 2.706 14.796 1.00217.59 C ATOM 822 CE LYS A 54 10.621 1.697 13.660 1.00217.59 C ATOM 823 NZ LYS A 54 11.983 1.198 13.321 1.00217.59 N ATOM 0 H LYS A 54 8.265 5.845 15.508 1.00217.59 H new ATOM 0 HA LYS A 54 9.830 4.836 13.240 1.00217.59 H new ATOM 0 HB2 LYS A 54 7.362 3.708 14.638 1.00217.59 H new ATOM 0 HB3 LYS A 54 8.306 2.887 13.410 1.00217.59 H new ATOM 0 HG2 LYS A 54 9.314 3.675 16.167 1.00217.59 H new ATOM 0 HG3 LYS A 54 8.807 2.067 15.689 1.00217.59 H new ATOM 0 HD2 LYS A 54 11.104 3.634 14.449 1.00217.59 H new ATOM 0 HD3 LYS A 54 11.274 2.327 15.605 1.00217.59 H new ATOM 0 HE2 LYS A 54 9.986 0.856 13.938 1.00217.59 H new ATOM 0 HE3 LYS A 54 10.174 2.156 12.778 1.00217.59 H new ATOM 0 HZ1 LYS A 54 11.918 0.512 12.542 1.00217.59 H new ATOM 0 HZ2 LYS A 54 12.583 1.996 13.030 1.00217.59 H new ATOM 0 HZ3 LYS A 54 12.401 0.736 14.154 1.00217.59 H new ATOM 837 N LEU A 55 7.033 6.420 13.032 1.00 97.75 N ATOM 838 CA LEU A 55 6.035 6.903 12.087 1.00 97.75 C ATOM 839 C LEU A 55 5.614 8.348 12.323 1.00 97.75 C ATOM 840 O LEU A 55 4.866 8.667 13.248 1.00 97.75 O ATOM 841 CB LEU A 55 4.811 6.009 12.138 1.00 97.75 C ATOM 842 CG LEU A 55 3.684 6.408 11.190 1.00 97.75 C ATOM 843 CD1 LEU A 55 2.949 5.179 10.675 1.00 97.75 C ATOM 844 CD2 LEU A 55 2.727 7.356 11.897 1.00 97.75 C ATOM 0 H LEU A 55 7.042 6.892 13.936 1.00 97.75 H new ATOM 0 HA LEU A 55 6.503 6.871 11.103 1.00 97.75 H new ATOM 0 HB2 LEU A 55 5.115 4.988 11.908 1.00 97.75 H new ATOM 0 HB3 LEU A 55 4.424 6.005 13.157 1.00 97.75 H new ATOM 0 HG LEU A 55 4.114 6.921 10.330 1.00 97.75 H new ATOM 0 HD11 LEU A 55 2.150 5.489 10.001 1.00 97.75 H new ATOM 0 HD12 LEU A 55 3.647 4.536 10.139 1.00 97.75 H new ATOM 0 HD13 LEU A 55 2.523 4.631 11.515 1.00 97.75 H new ATOM 0 HD21 LEU A 55 1.924 7.638 11.216 1.00 97.75 H new ATOM 0 HD22 LEU A 55 2.304 6.861 12.771 1.00 97.75 H new ATOM 0 HD23 LEU A 55 3.266 8.250 12.212 1.00 97.75 H new ATOM 856 N ASP A 56 6.071 9.193 11.417 1.00109.16 N ATOM 857 CA ASP A 56 5.738 10.613 11.412 1.00109.16 C ATOM 858 C ASP A 56 4.421 10.818 10.666 1.00109.16 C ATOM 859 O ASP A 56 3.762 9.850 10.295 1.00109.16 O ATOM 860 CB ASP A 56 6.860 11.427 10.762 1.00109.16 C ATOM 861 CG ASP A 56 8.208 11.180 11.415 1.00109.16 C ATOM 862 OD1 ASP A 56 8.233 10.639 12.541 1.00109.16 O ATOM 863 OD2 ASP A 56 9.238 11.526 10.800 1.00109.16 O ATOM 0 H ASP A 56 6.690 8.914 10.655 1.00109.16 H new ATOM 0 HA ASP A 56 5.626 10.960 12.439 1.00109.16 H new ATOM 0 HB2 ASP A 56 6.921 11.176 9.703 1.00109.16 H new ATOM 0 HB3 ASP A 56 6.618 12.488 10.824 1.00109.16 H new ATOM 868 N LYS A 57 4.057 12.066 10.404 1.00 65.03 N ATOM 869 CA LYS A 57 2.830 12.345 9.654 1.00 65.03 C ATOM 870 C LYS A 57 3.029 12.077 8.163 1.00 65.03 C ATOM 871 O LYS A 57 2.066 11.891 7.425 1.00 65.03 O ATOM 872 CB LYS A 57 2.340 13.780 9.884 1.00 65.03 C ATOM 873 CG LYS A 57 3.422 14.841 9.804 1.00 65.03 C ATOM 874 CD LYS A 57 4.167 14.792 8.485 1.00 65.03 C ATOM 875 CE LYS A 57 4.716 16.150 8.095 1.00 65.03 C ATOM 876 NZ LYS A 57 3.727 16.964 7.333 1.00 65.03 N ATOM 0 H LYS A 57 4.581 12.892 10.692 1.00 65.03 H new ATOM 0 HA LYS A 57 2.061 11.669 10.027 1.00 65.03 H new ATOM 0 HB2 LYS A 57 1.571 14.009 9.147 1.00 65.03 H new ATOM 0 HB3 LYS A 57 1.868 13.835 10.865 1.00 65.03 H new ATOM 0 HG2 LYS A 57 2.974 15.826 9.931 1.00 65.03 H new ATOM 0 HG3 LYS A 57 4.127 14.703 10.624 1.00 65.03 H new ATOM 0 HD2 LYS A 57 4.986 14.076 8.557 1.00 65.03 H new ATOM 0 HD3 LYS A 57 3.498 14.433 7.703 1.00 65.03 H new ATOM 0 HE2 LYS A 57 5.013 16.691 8.994 1.00 65.03 H new ATOM 0 HE3 LYS A 57 5.614 16.017 7.492 1.00 65.03 H new ATOM 0 HZ1 LYS A 57 4.148 17.883 7.089 1.00 65.03 H new ATOM 0 HZ2 LYS A 57 3.462 16.462 6.461 1.00 65.03 H new ATOM 0 HZ3 LYS A 57 2.879 17.116 7.916 1.00 65.03 H new ATOM 890 N ASP A 58 4.288 12.074 7.721 1.00165.72 N ATOM 891 CA ASP A 58 4.610 11.841 6.322 1.00165.72 C ATOM 892 C ASP A 58 5.575 10.661 6.153 1.00165.72 C ATOM 893 O ASP A 58 5.817 10.216 5.030 1.00165.72 O ATOM 894 CB ASP A 58 5.223 13.103 5.710 1.00165.72 C ATOM 895 CG ASP A 58 5.490 12.961 4.226 1.00165.72 C ATOM 896 OD1 ASP A 58 4.530 13.079 3.436 1.00165.72 O ATOM 897 OD2 ASP A 58 6.661 12.737 3.850 1.00165.72 O ATOM 0 H ASP A 58 5.100 12.231 8.318 1.00165.72 H new ATOM 0 HA ASP A 58 3.683 11.594 5.804 1.00165.72 H new ATOM 0 HB2 ASP A 58 4.551 13.945 5.875 1.00165.72 H new ATOM 0 HB3 ASP A 58 6.157 13.334 6.223 1.00165.72 H new ATOM 902 N ASN A 59 6.133 10.158 7.259 1.00 98.89 N ATOM 903 CA ASN A 59 7.071 9.038 7.194 1.00 98.89 C ATOM 904 C ASN A 59 6.357 7.705 7.332 1.00 98.89 C ATOM 905 O ASN A 59 6.149 7.202 8.437 1.00 98.89 O ATOM 906 CB ASN A 59 8.147 9.168 8.275 1.00 98.89 C ATOM 907 CG ASN A 59 9.167 10.243 7.957 1.00 98.89 C ATOM 908 OD1 ASN A 59 10.356 9.963 7.810 1.00 98.89 O ATOM 909 ND2 ASN A 59 8.705 11.482 7.849 1.00 98.89 N ATOM 0 H ASN A 59 5.952 10.506 8.201 1.00 98.89 H new ATOM 0 HA ASN A 59 7.547 9.069 6.214 1.00 98.89 H new ATOM 0 HB2 ASN A 59 7.672 9.394 9.230 1.00 98.89 H new ATOM 0 HB3 ASN A 59 8.657 8.212 8.391 1.00 98.89 H new ATOM 0 HD21 ASN A 59 9.344 12.248 7.636 1.00 98.89 H new ATOM 0 HD22 ASN A 59 7.711 11.669 7.979 1.00 98.89 H new ATOM 916 N LEU A 60 6.015 7.131 6.191 1.00196.24 N ATOM 917 CA LEU A 60 5.353 5.834 6.137 1.00196.24 C ATOM 918 C LEU A 60 6.263 4.793 5.479 1.00196.24 C ATOM 919 O LEU A 60 5.817 3.692 5.155 1.00196.24 O ATOM 920 CB LEU A 60 4.048 5.936 5.345 1.00196.24 C ATOM 921 CG LEU A 60 4.127 6.831 4.103 1.00196.24 C ATOM 922 CD1 LEU A 60 3.357 6.225 2.942 1.00196.24 C ATOM 923 CD2 LEU A 60 3.613 8.226 4.424 1.00196.24 C ATOM 0 H LEU A 60 6.187 7.548 5.276 1.00196.24 H new ATOM 0 HA LEU A 60 5.134 5.523 7.158 1.00196.24 H new ATOM 0 HB2 LEU A 60 3.745 4.935 5.037 1.00196.24 H new ATOM 0 HB3 LEU A 60 3.267 6.317 6.003 1.00196.24 H new ATOM 0 HG LEU A 60 5.172 6.907 3.803 1.00196.24 H new ATOM 0 HD11 LEU A 60 3.430 6.881 2.075 1.00196.24 H new ATOM 0 HD12 LEU A 60 3.778 5.250 2.696 1.00196.24 H new ATOM 0 HD13 LEU A 60 2.310 6.108 3.221 1.00196.24 H new ATOM 0 HD21 LEU A 60 3.675 8.851 3.533 1.00196.24 H new ATOM 0 HD22 LEU A 60 2.576 8.165 4.753 1.00196.24 H new ATOM 0 HD23 LEU A 60 4.220 8.664 5.217 1.00196.24 H new ATOM 935 N SER A 61 7.532 5.152 5.255 1.00 66.14 N ATOM 936 CA SER A 61 8.473 4.249 4.607 1.00 66.14 C ATOM 937 C SER A 61 8.617 2.926 5.356 1.00 66.14 C ATOM 938 O SER A 61 8.703 1.865 4.738 1.00 66.14 O ATOM 939 CB SER A 61 9.838 4.928 4.473 1.00 66.14 C ATOM 940 OG SER A 61 10.384 5.226 5.746 1.00 66.14 O ATOM 0 H SER A 61 7.924 6.058 5.513 1.00 66.14 H new ATOM 0 HA SER A 61 8.076 4.019 3.618 1.00 66.14 H new ATOM 0 HB2 SER A 61 10.519 4.278 3.924 1.00 66.14 H new ATOM 0 HB3 SER A 61 9.736 5.845 3.893 1.00 66.14 H new ATOM 0 HG SER A 61 11.257 5.658 5.635 1.00 66.14 H new ATOM 946 N TYR A 62 8.642 2.986 6.682 1.00 59.69 N ATOM 947 CA TYR A 62 8.775 1.780 7.488 1.00 59.69 C ATOM 948 C TYR A 62 7.491 0.954 7.458 1.00 59.69 C ATOM 949 O TYR A 62 7.538 -0.262 7.335 1.00 59.69 O ATOM 950 CB TYR A 62 9.177 2.146 8.935 1.00 59.69 C ATOM 951 CG TYR A 62 8.670 1.196 10.004 1.00 59.69 C ATOM 952 CD1 TYR A 62 8.882 -0.173 9.912 1.00 59.69 C ATOM 953 CD2 TYR A 62 7.961 1.677 11.090 1.00 59.69 C ATOM 954 CE1 TYR A 62 8.403 -1.033 10.878 1.00 59.69 C ATOM 955 CE2 TYR A 62 7.476 0.830 12.059 1.00 59.69 C ATOM 956 CZ TYR A 62 7.700 -0.528 11.951 1.00 59.69 C ATOM 957 OH TYR A 62 7.224 -1.381 12.917 1.00 59.69 O ATOM 0 H TYR A 62 8.572 3.851 7.218 1.00 59.69 H new ATOM 0 HA TYR A 62 9.566 1.164 7.061 1.00 59.69 H new ATOM 0 HB2 TYR A 62 10.265 2.187 8.994 1.00 59.69 H new ATOM 0 HB3 TYR A 62 8.807 3.147 9.156 1.00 59.69 H new ATOM 0 HD1 TYR A 62 9.431 -0.571 9.071 1.00 59.69 H new ATOM 0 HD2 TYR A 62 7.785 2.739 11.179 1.00 59.69 H new ATOM 0 HE1 TYR A 62 8.578 -2.096 10.794 1.00 59.69 H new ATOM 0 HE2 TYR A 62 6.924 1.225 12.899 1.00 59.69 H new ATOM 0 HH TYR A 62 7.565 -2.285 12.752 1.00 59.69 H new ATOM 967 N ILE A 63 6.356 1.618 7.594 1.00 95.89 N ATOM 968 CA ILE A 63 5.077 0.927 7.606 1.00 95.89 C ATOM 969 C ILE A 63 4.756 0.396 6.229 1.00 95.89 C ATOM 970 O ILE A 63 4.370 -0.760 6.062 1.00 95.89 O ATOM 971 CB ILE A 63 3.938 1.842 8.124 1.00 95.89 C ATOM 972 CG1 ILE A 63 3.389 2.787 7.048 1.00 95.89 C ATOM 973 CG2 ILE A 63 4.414 2.668 9.312 1.00 95.89 C ATOM 974 CD1 ILE A 63 2.176 3.544 7.516 1.00 95.89 C ATOM 0 H ILE A 63 6.293 2.631 7.697 1.00 95.89 H new ATOM 0 HA ILE A 63 5.156 0.087 8.296 1.00 95.89 H new ATOM 0 HB ILE A 63 3.129 1.176 8.424 1.00 95.89 H new ATOM 0 HG12 ILE A 63 4.166 3.494 6.758 1.00 95.89 H new ATOM 0 HG13 ILE A 63 3.134 2.211 6.158 1.00 95.89 H new ATOM 0 HG21 ILE A 63 3.601 3.304 9.662 1.00 95.89 H new ATOM 0 HG22 ILE A 63 4.726 2.002 10.117 1.00 95.89 H new ATOM 0 HG23 ILE A 63 5.256 3.290 9.009 1.00 95.89 H new ATOM 0 HD11 ILE A 63 1.826 4.199 6.718 1.00 95.89 H new ATOM 0 HD12 ILE A 63 1.387 2.840 7.780 1.00 95.89 H new ATOM 0 HD13 ILE A 63 2.435 4.143 8.389 1.00 95.89 H new ATOM 986 N GLU A 64 4.951 1.246 5.236 1.00 77.41 N ATOM 987 CA GLU A 64 4.720 0.861 3.852 1.00 77.41 C ATOM 988 C GLU A 64 5.516 -0.404 3.542 1.00 77.41 C ATOM 989 O GLU A 64 5.099 -1.238 2.739 1.00 77.41 O ATOM 990 CB GLU A 64 5.148 1.981 2.907 1.00 77.41 C ATOM 991 CG GLU A 64 4.738 1.749 1.463 1.00 77.41 C ATOM 992 CD GLU A 64 5.346 2.765 0.511 1.00 77.41 C ATOM 993 OE1 GLU A 64 6.173 3.586 0.963 1.00 77.41 O ATOM 994 OE2 GLU A 64 4.993 2.740 -0.686 1.00 77.41 O ATOM 0 H GLU A 64 5.269 2.207 5.361 1.00 77.41 H new ATOM 0 HA GLU A 64 3.656 0.673 3.709 1.00 77.41 H new ATOM 0 HB2 GLU A 64 4.716 2.921 3.252 1.00 77.41 H new ATOM 0 HB3 GLU A 64 6.231 2.091 2.955 1.00 77.41 H new ATOM 0 HG2 GLU A 64 5.041 0.747 1.160 1.00 77.41 H new ATOM 0 HG3 GLU A 64 3.651 1.790 1.387 1.00 77.41 H new ATOM 1001 N HIS A 65 6.655 -0.543 4.224 1.00 68.54 N ATOM 1002 CA HIS A 65 7.500 -1.714 4.062 1.00 68.54 C ATOM 1003 C HIS A 65 6.813 -2.925 4.660 1.00 68.54 C ATOM 1004 O HIS A 65 6.807 -3.998 4.067 1.00 68.54 O ATOM 1005 CB HIS A 65 8.869 -1.470 4.710 1.00 68.54 C ATOM 1006 CG HIS A 65 9.722 -2.694 4.825 1.00 68.54 C ATOM 1007 ND1 HIS A 65 10.730 -3.015 3.942 1.00 68.54 N ATOM 1008 CD2 HIS A 65 9.690 -3.686 5.739 1.00 68.54 C ATOM 1009 CE1 HIS A 65 11.281 -4.160 4.308 1.00 68.54 C ATOM 1010 NE2 HIS A 65 10.670 -4.586 5.397 1.00 68.54 N ATOM 0 H HIS A 65 7.008 0.143 4.891 1.00 68.54 H new ATOM 0 HA HIS A 65 7.663 -1.903 3.001 1.00 68.54 H new ATOM 0 HB2 HIS A 65 9.405 -0.721 4.128 1.00 68.54 H new ATOM 0 HB3 HIS A 65 8.718 -1.052 5.705 1.00 68.54 H new ATOM 0 HD2 HIS A 65 9.019 -3.759 6.582 1.00 68.54 H new ATOM 0 HE1 HIS A 65 12.093 -4.661 3.802 1.00 68.54 H new ATOM 0 HE2 HIS A 65 10.890 -5.444 5.903 1.00 68.54 H new ATOM 1018 N ILE A 66 6.224 -2.735 5.837 1.00 44.28 N ATOM 1019 CA ILE A 66 5.518 -3.804 6.525 1.00 44.28 C ATOM 1020 C ILE A 66 4.424 -4.351 5.640 1.00 44.28 C ATOM 1021 O ILE A 66 4.335 -5.555 5.398 1.00 44.28 O ATOM 1022 CB ILE A 66 4.916 -3.289 7.843 1.00 44.28 C ATOM 1023 CG1 ILE A 66 6.034 -2.695 8.696 1.00 44.28 C ATOM 1024 CG2 ILE A 66 4.166 -4.387 8.589 1.00 44.28 C ATOM 1025 CD1 ILE A 66 7.222 -3.602 8.880 1.00 44.28 C ATOM 0 H ILE A 66 6.224 -1.844 6.334 1.00 44.28 H new ATOM 0 HA ILE A 66 6.227 -4.600 6.752 1.00 44.28 H new ATOM 0 HB ILE A 66 4.181 -2.515 7.621 1.00 44.28 H new ATOM 0 HG12 ILE A 66 6.370 -1.765 8.238 1.00 44.28 H new ATOM 0 HG13 ILE A 66 5.631 -2.440 9.676 1.00 44.28 H new ATOM 0 HG21 ILE A 66 3.756 -3.983 9.515 1.00 44.28 H new ATOM 0 HG22 ILE A 66 3.354 -4.762 7.965 1.00 44.28 H new ATOM 0 HG23 ILE A 66 4.851 -5.202 8.821 1.00 44.28 H new ATOM 0 HD11 ILE A 66 7.969 -3.103 9.498 1.00 44.28 H new ATOM 0 HD12 ILE A 66 6.904 -4.523 9.368 1.00 44.28 H new ATOM 0 HD13 ILE A 66 7.654 -3.837 7.907 1.00 44.28 H new ATOM 1037 N PHE A 67 3.612 -3.441 5.128 1.00103.95 N ATOM 1038 CA PHE A 67 2.543 -3.812 4.231 1.00103.95 C ATOM 1039 C PHE A 67 3.131 -4.431 2.960 1.00103.95 C ATOM 1040 O PHE A 67 2.536 -5.325 2.358 1.00103.95 O ATOM 1041 CB PHE A 67 1.696 -2.584 3.912 1.00103.95 C ATOM 1042 CG PHE A 67 1.224 -1.897 5.161 1.00103.95 C ATOM 1043 CD1 PHE A 67 0.560 -2.611 6.142 1.00103.95 C ATOM 1044 CD2 PHE A 67 1.475 -0.549 5.371 1.00103.95 C ATOM 1045 CE1 PHE A 67 0.156 -1.998 7.311 1.00103.95 C ATOM 1046 CE2 PHE A 67 1.065 0.072 6.537 1.00103.95 C ATOM 1047 CZ PHE A 67 0.407 -0.658 7.508 1.00103.95 C ATOM 0 H PHE A 67 3.677 -2.442 5.321 1.00103.95 H new ATOM 0 HA PHE A 67 1.900 -4.555 4.703 1.00103.95 H new ATOM 0 HB2 PHE A 67 2.278 -1.886 3.310 1.00103.95 H new ATOM 0 HB3 PHE A 67 0.836 -2.881 3.312 1.00103.95 H new ATOM 0 HD1 PHE A 67 0.355 -3.661 5.992 1.00103.95 H new ATOM 0 HD2 PHE A 67 1.996 0.022 4.616 1.00103.95 H new ATOM 0 HE1 PHE A 67 -0.357 -2.569 8.071 1.00103.95 H new ATOM 0 HE2 PHE A 67 1.259 1.124 6.688 1.00103.95 H new ATOM 0 HZ PHE A 67 0.089 -0.178 8.422 1.00103.95 H new ATOM 1057 N GLU A 68 4.323 -3.956 2.562 1.00 76.40 N ATOM 1058 CA GLU A 68 4.987 -4.479 1.373 1.00 76.40 C ATOM 1059 C GLU A 68 5.475 -5.901 1.605 1.00 76.40 C ATOM 1060 O GLU A 68 5.150 -6.809 0.840 1.00 76.40 O ATOM 1061 CB GLU A 68 6.167 -3.591 0.984 1.00 76.40 C ATOM 1062 CG GLU A 68 6.898 -4.071 -0.260 1.00 76.40 C ATOM 1063 CD GLU A 68 8.148 -3.263 -0.555 1.00 76.40 C ATOM 1064 OE1 GLU A 68 8.526 -2.420 0.288 1.00 76.40 O ATOM 1065 OE2 GLU A 68 8.753 -3.480 -1.624 1.00 76.40 O ATOM 0 H GLU A 68 4.836 -3.219 3.045 1.00 76.40 H new ATOM 0 HA GLU A 68 4.260 -4.485 0.561 1.00 76.40 H new ATOM 0 HB2 GLU A 68 5.809 -2.575 0.817 1.00 76.40 H new ATOM 0 HB3 GLU A 68 6.870 -3.548 1.816 1.00 76.40 H new ATOM 0 HG2 GLU A 68 7.169 -5.119 -0.135 1.00 76.40 H new ATOM 0 HG3 GLU A 68 6.225 -4.016 -1.116 1.00 76.40 H new ATOM 1072 N ILE A 69 6.247 -6.095 2.671 1.00 33.63 N ATOM 1073 CA ILE A 69 6.756 -7.416 2.992 1.00 33.63 C ATOM 1074 C ILE A 69 5.606 -8.347 3.344 1.00 33.63 C ATOM 1075 O ILE A 69 5.654 -9.550 3.084 1.00 33.63 O ATOM 1076 CB ILE A 69 7.761 -7.376 4.141 1.00 33.63 C ATOM 1077 CG1 ILE A 69 7.121 -6.802 5.412 1.00 33.63 C ATOM 1078 CG2 ILE A 69 8.999 -6.589 3.722 1.00 33.63 C ATOM 1079 CD1 ILE A 69 8.113 -6.549 6.528 1.00 33.63 C ATOM 0 H ILE A 69 6.529 -5.359 3.319 1.00 33.63 H new ATOM 0 HA ILE A 69 7.275 -7.791 2.110 1.00 33.63 H new ATOM 0 HB ILE A 69 8.072 -8.394 4.375 1.00 33.63 H new ATOM 0 HG12 ILE A 69 6.618 -5.867 5.165 1.00 33.63 H new ATOM 0 HG13 ILE A 69 6.355 -7.492 5.767 1.00 33.63 H new ATOM 0 HG21 ILE A 69 9.711 -6.565 4.547 1.00 33.63 H new ATOM 0 HG22 ILE A 69 9.460 -7.069 2.858 1.00 33.63 H new ATOM 0 HG23 ILE A 69 8.712 -5.571 3.461 1.00 33.63 H new ATOM 0 HD11 ILE A 69 7.590 -6.144 7.394 1.00 33.63 H new ATOM 0 HD12 ILE A 69 8.599 -7.485 6.802 1.00 33.63 H new ATOM 0 HD13 ILE A 69 8.865 -5.835 6.191 1.00 33.63 H new ATOM 1091 N SER A 70 4.556 -7.760 3.895 1.00 80.34 N ATOM 1092 CA SER A 70 3.356 -8.493 4.245 1.00 80.34 C ATOM 1093 C SER A 70 2.558 -8.729 2.969 1.00 80.34 C ATOM 1094 O SER A 70 2.489 -7.849 2.111 1.00 80.34 O ATOM 1095 CB SER A 70 2.532 -7.683 5.247 1.00 80.34 C ATOM 1096 OG SER A 70 1.320 -8.339 5.571 1.00 80.34 O ATOM 0 H SER A 70 4.514 -6.764 4.111 1.00 80.34 H new ATOM 0 HA SER A 70 3.610 -9.448 4.705 1.00 80.34 H new ATOM 0 HB2 SER A 70 3.115 -7.523 6.154 1.00 80.34 H new ATOM 0 HB3 SER A 70 2.315 -6.699 4.831 1.00 80.34 H new ATOM 0 HG SER A 70 0.573 -7.711 5.477 1.00 80.34 H new ATOM 1102 N ARG A 71 1.989 -9.918 2.818 1.00144.05 N ATOM 1103 CA ARG A 71 1.245 -10.242 1.608 1.00144.05 C ATOM 1104 C ARG A 71 -0.154 -9.642 1.609 1.00144.05 C ATOM 1105 O ARG A 71 -1.155 -10.355 1.500 1.00144.05 O ATOM 1106 CB ARG A 71 1.175 -11.752 1.407 1.00144.05 C ATOM 1107 CG ARG A 71 2.514 -12.364 1.036 1.00144.05 C ATOM 1108 CD ARG A 71 3.007 -11.840 -0.302 1.00144.05 C ATOM 1109 NE ARG A 71 4.212 -12.537 -0.753 1.00144.05 N ATOM 1110 CZ ARG A 71 4.579 -12.656 -2.032 1.00144.05 C ATOM 1111 NH1 ARG A 71 3.841 -12.119 -2.998 1.00144.05 N ATOM 1112 NH2 ARG A 71 5.692 -13.310 -2.344 1.00144.05 N ATOM 0 H ARG A 71 2.027 -10.667 3.510 1.00144.05 H new ATOM 0 HA ARG A 71 1.787 -9.796 0.774 1.00144.05 H new ATOM 0 HB2 ARG A 71 0.810 -12.218 2.322 1.00144.05 H new ATOM 0 HB3 ARG A 71 0.450 -11.976 0.624 1.00144.05 H new ATOM 0 HG2 ARG A 71 3.247 -12.138 1.810 1.00144.05 H new ATOM 0 HG3 ARG A 71 2.421 -13.449 0.992 1.00144.05 H new ATOM 0 HD2 ARG A 71 2.221 -11.955 -1.048 1.00144.05 H new ATOM 0 HD3 ARG A 71 3.215 -10.773 -0.219 1.00144.05 H new ATOM 0 HE ARG A 71 4.811 -12.960 -0.044 1.00144.05 H new ATOM 0 HH11 ARG A 71 2.987 -11.611 -2.765 1.00144.05 H new ATOM 0 HH12 ARG A 71 4.128 -12.214 -3.972 1.00144.05 H new ATOM 0 HH21 ARG A 71 6.266 -13.721 -1.607 1.00144.05 H new ATOM 0 HH22 ARG A 71 5.973 -13.401 -3.320 1.00144.05 H new ATOM 1126 N ARG A 72 -0.214 -8.322 1.702 1.00183.66 N ATOM 1127 CA ARG A 72 -1.486 -7.622 1.684 1.00183.66 C ATOM 1128 C ARG A 72 -1.362 -6.289 0.952 1.00183.66 C ATOM 1129 O ARG A 72 -1.292 -5.229 1.576 1.00183.66 O ATOM 1130 CB ARG A 72 -2.016 -7.413 3.096 1.00183.66 C ATOM 1131 CG ARG A 72 -3.495 -7.756 3.226 1.00183.66 C ATOM 1132 CD ARG A 72 -3.708 -9.029 4.025 1.00183.66 C ATOM 1133 NE ARG A 72 -2.905 -9.026 5.240 1.00183.66 N ATOM 1134 CZ ARG A 72 -2.498 -10.126 5.875 1.00183.66 C ATOM 1135 NH1 ARG A 72 -2.878 -11.328 5.458 1.00183.66 N ATOM 1136 NH2 ARG A 72 -1.712 -10.020 6.937 1.00183.66 N ATOM 0 H ARG A 72 0.602 -7.717 1.790 1.00183.66 H new ATOM 0 HA ARG A 72 -2.201 -8.243 1.144 1.00183.66 H new ATOM 0 HB2 ARG A 72 -1.442 -8.028 3.790 1.00183.66 H new ATOM 0 HB3 ARG A 72 -1.861 -6.374 3.388 1.00183.66 H new ATOM 0 HG2 ARG A 72 -4.019 -6.931 3.709 1.00183.66 H new ATOM 0 HG3 ARG A 72 -3.930 -7.872 2.233 1.00183.66 H new ATOM 0 HD2 ARG A 72 -4.762 -9.128 4.283 1.00183.66 H new ATOM 0 HD3 ARG A 72 -3.446 -9.893 3.415 1.00183.66 H new ATOM 0 HE ARG A 72 -2.636 -8.123 5.631 1.00183.66 H new ATOM 0 HH11 ARG A 72 -3.487 -11.417 4.645 1.00183.66 H new ATOM 0 HH12 ARG A 72 -2.561 -12.163 5.951 1.00183.66 H new ATOM 0 HH21 ARG A 72 -1.421 -9.100 7.266 1.00183.66 H new ATOM 0 HH22 ARG A 72 -1.399 -10.859 7.425 1.00183.66 H new ATOM 1150 N PRO A 73 -1.331 -6.323 -0.394 1.00130.67 N ATOM 1151 CA PRO A 73 -1.220 -5.114 -1.207 1.00130.67 C ATOM 1152 C PRO A 73 -2.407 -4.175 -1.027 1.00130.67 C ATOM 1153 O PRO A 73 -2.354 -3.023 -1.447 1.00130.67 O ATOM 1154 CB PRO A 73 -1.185 -5.636 -2.650 1.00130.67 C ATOM 1155 CG PRO A 73 -0.828 -7.076 -2.535 1.00130.67 C ATOM 1156 CD PRO A 73 -1.400 -7.535 -1.228 1.00130.67 C ATOM 0 HA PRO A 73 -0.342 -4.532 -0.927 1.00130.67 H new ATOM 0 HB2 PRO A 73 -2.151 -5.507 -3.139 1.00130.67 H new ATOM 0 HB3 PRO A 73 -0.451 -5.095 -3.247 1.00130.67 H new ATOM 0 HG2 PRO A 73 -1.241 -7.649 -3.365 1.00130.67 H new ATOM 0 HG3 PRO A 73 0.253 -7.214 -2.559 1.00130.67 H new ATOM 0 HD2 PRO A 73 -2.424 -7.892 -1.338 1.00130.67 H new ATOM 0 HD3 PRO A 73 -0.822 -8.354 -0.799 1.00130.67 H new ATOM 1164 N ASP A 74 -3.486 -4.658 -0.412 1.00 56.92 N ATOM 1165 CA ASP A 74 -4.664 -3.825 -0.221 1.00 56.92 C ATOM 1166 C ASP A 74 -4.360 -2.669 0.719 1.00 56.92 C ATOM 1167 O ASP A 74 -4.714 -1.527 0.436 1.00 56.92 O ATOM 1168 CB ASP A 74 -5.826 -4.662 0.311 1.00 56.92 C ATOM 1169 CG ASP A 74 -6.289 -5.699 -0.693 1.00 56.92 C ATOM 1170 OD1 ASP A 74 -6.058 -5.499 -1.903 1.00 56.92 O ATOM 1171 OD2 ASP A 74 -6.888 -6.711 -0.271 1.00 56.92 O ATOM 0 H ASP A 74 -3.566 -5.606 -0.044 1.00 56.92 H new ATOM 0 HA ASP A 74 -4.952 -3.409 -1.186 1.00 56.92 H new ATOM 0 HB2 ASP A 74 -5.522 -5.160 1.232 1.00 56.92 H new ATOM 0 HB3 ASP A 74 -6.659 -4.006 0.564 1.00 56.92 H new ATOM 1176 N LEU A 75 -3.672 -2.956 1.817 1.00 72.53 N ATOM 1177 CA LEU A 75 -3.302 -1.910 2.757 1.00 72.53 C ATOM 1178 C LEU A 75 -2.187 -1.056 2.156 1.00 72.53 C ATOM 1179 O LEU A 75 -2.246 0.174 2.195 1.00 72.53 O ATOM 1180 CB LEU A 75 -2.838 -2.501 4.091 1.00 72.53 C ATOM 1181 CG LEU A 75 -3.920 -3.169 4.955 1.00 72.53 C ATOM 1182 CD1 LEU A 75 -4.600 -4.300 4.198 1.00 72.53 C ATOM 1183 CD2 LEU A 75 -3.286 -3.688 6.239 1.00 72.53 C ATOM 0 H LEU A 75 -3.363 -3.893 2.075 1.00 72.53 H new ATOM 0 HA LEU A 75 -4.181 -1.293 2.947 1.00 72.53 H new ATOM 0 HB2 LEU A 75 -2.061 -3.237 3.887 1.00 72.53 H new ATOM 0 HB3 LEU A 75 -2.377 -1.705 4.676 1.00 72.53 H new ATOM 0 HG LEU A 75 -4.684 -2.432 5.201 1.00 72.53 H new ATOM 0 HD11 LEU A 75 -5.361 -4.756 4.831 1.00 72.53 H new ATOM 0 HD12 LEU A 75 -5.068 -3.905 3.296 1.00 72.53 H new ATOM 0 HD13 LEU A 75 -3.859 -5.051 3.923 1.00 72.53 H new ATOM 0 HD21 LEU A 75 -4.049 -4.163 6.856 1.00 72.53 H new ATOM 0 HD22 LEU A 75 -2.512 -4.416 5.994 1.00 72.53 H new ATOM 0 HD23 LEU A 75 -2.842 -2.857 6.787 1.00 72.53 H new ATOM 1195 N LEU A 76 -1.173 -1.718 1.583 1.00 57.08 N ATOM 1196 CA LEU A 76 -0.050 -1.013 0.958 1.00 57.08 C ATOM 1197 C LEU A 76 -0.552 -0.058 -0.112 1.00 57.08 C ATOM 1198 O LEU A 76 -0.145 1.098 -0.170 1.00 57.08 O ATOM 1199 CB LEU A 76 0.938 -1.991 0.319 1.00 57.08 C ATOM 1200 CG LEU A 76 2.231 -1.339 -0.205 1.00 57.08 C ATOM 1201 CD1 LEU A 76 3.441 -1.805 0.591 1.00 57.08 C ATOM 1202 CD2 LEU A 76 2.430 -1.622 -1.691 1.00 57.08 C ATOM 0 H LEU A 76 -1.109 -2.735 1.540 1.00 57.08 H new ATOM 0 HA LEU A 76 0.460 -0.457 1.745 1.00 57.08 H new ATOM 0 HB2 LEU A 76 1.201 -2.753 1.052 1.00 57.08 H new ATOM 0 HB3 LEU A 76 0.442 -2.501 -0.507 1.00 57.08 H new ATOM 0 HG LEU A 76 2.130 -0.262 -0.075 1.00 57.08 H new ATOM 0 HD11 LEU A 76 4.340 -1.329 0.199 1.00 57.08 H new ATOM 0 HD12 LEU A 76 3.314 -1.533 1.639 1.00 57.08 H new ATOM 0 HD13 LEU A 76 3.538 -2.887 0.506 1.00 57.08 H new ATOM 0 HD21 LEU A 76 3.351 -1.149 -2.031 1.00 57.08 H new ATOM 0 HD22 LEU A 76 2.495 -2.698 -1.851 1.00 57.08 H new ATOM 0 HD23 LEU A 76 1.587 -1.222 -2.254 1.00 57.08 H new ATOM 1214 N THR A 77 -1.452 -0.562 -0.952 1.00 38.46 N ATOM 1215 CA THR A 77 -2.034 0.219 -2.022 1.00 38.46 C ATOM 1216 C THR A 77 -2.683 1.490 -1.483 1.00 38.46 C ATOM 1217 O THR A 77 -2.545 2.553 -2.076 1.00 38.46 O ATOM 1218 CB THR A 77 -3.068 -0.626 -2.791 1.00 38.46 C ATOM 1219 OG1 THR A 77 -2.411 -1.695 -3.481 1.00 38.46 O ATOM 1220 CG2 THR A 77 -3.850 0.210 -3.786 1.00 38.46 C ATOM 0 H THR A 77 -1.793 -1.522 -0.904 1.00 38.46 H new ATOM 0 HA THR A 77 -1.236 0.512 -2.704 1.00 38.46 H new ATOM 0 HB THR A 77 -3.770 -1.029 -2.061 1.00 38.46 H new ATOM 0 HG1 THR A 77 -1.978 -2.287 -2.831 1.00 38.46 H new ATOM 0 HG21 THR A 77 -4.568 -0.423 -4.308 1.00 38.46 H new ATOM 0 HG22 THR A 77 -4.380 1.002 -3.258 1.00 38.46 H new ATOM 0 HG23 THR A 77 -3.164 0.652 -4.509 1.00 38.46 H new ATOM 1228 N MET A 78 -3.385 1.381 -0.360 1.00 70.15 N ATOM 1229 CA MET A 78 -4.026 2.547 0.226 1.00 70.15 C ATOM 1230 C MET A 78 -2.966 3.540 0.668 1.00 70.15 C ATOM 1231 O MET A 78 -3.127 4.750 0.508 1.00 70.15 O ATOM 1232 CB MET A 78 -4.917 2.152 1.406 1.00 70.15 C ATOM 1233 CG MET A 78 -5.902 1.042 1.065 1.00 70.15 C ATOM 1234 SD MET A 78 -7.602 1.432 1.526 1.00 70.15 S ATOM 1235 CE MET A 78 -8.155 2.309 0.065 1.00 70.15 C ATOM 0 H MET A 78 -3.522 0.511 0.154 1.00 70.15 H new ATOM 0 HA MET A 78 -4.663 3.011 -0.527 1.00 70.15 H new ATOM 0 HB2 MET A 78 -4.289 1.830 2.236 1.00 70.15 H new ATOM 0 HB3 MET A 78 -5.469 3.028 1.746 1.00 70.15 H new ATOM 0 HG2 MET A 78 -5.859 0.844 -0.006 1.00 70.15 H new ATOM 0 HG3 MET A 78 -5.596 0.126 1.571 1.00 70.15 H new ATOM 0 HE1 MET A 78 -9.192 2.617 0.196 1.00 70.15 H new ATOM 0 HE2 MET A 78 -7.532 3.190 -0.088 1.00 70.15 H new ATOM 0 HE3 MET A 78 -8.078 1.655 -0.803 1.00 70.15 H new ATOM 1245 N VAL A 79 -1.866 3.012 1.199 1.00 44.32 N ATOM 1246 CA VAL A 79 -0.757 3.840 1.641 1.00 44.32 C ATOM 1247 C VAL A 79 -0.059 4.445 0.434 1.00 44.32 C ATOM 1248 O VAL A 79 0.240 5.637 0.398 1.00 44.32 O ATOM 1249 CB VAL A 79 0.276 3.028 2.452 1.00 44.32 C ATOM 1250 CG1 VAL A 79 1.213 3.963 3.197 1.00 44.32 C ATOM 1251 CG2 VAL A 79 -0.408 2.050 3.404 1.00 44.32 C ATOM 0 H VAL A 79 -1.723 2.011 1.332 1.00 44.32 H new ATOM 0 HA VAL A 79 -1.165 4.621 2.282 1.00 44.32 H new ATOM 0 HB VAL A 79 0.868 2.435 1.755 1.00 44.32 H new ATOM 0 HG11 VAL A 79 1.936 3.377 3.765 1.00 44.32 H new ATOM 0 HG12 VAL A 79 1.739 4.596 2.483 1.00 44.32 H new ATOM 0 HG13 VAL A 79 0.637 4.588 3.879 1.00 44.32 H new ATOM 0 HG21 VAL A 79 0.348 1.494 3.960 1.00 44.32 H new ATOM 0 HG22 VAL A 79 -1.038 2.602 4.101 1.00 44.32 H new ATOM 0 HG23 VAL A 79 -1.022 1.355 2.832 1.00 44.32 H new ATOM 1261 N VAL A 80 0.179 3.599 -0.557 1.00 90.77 N ATOM 1262 CA VAL A 80 0.822 4.011 -1.789 1.00 90.77 C ATOM 1263 C VAL A 80 -0.051 5.012 -2.540 1.00 90.77 C ATOM 1264 O VAL A 80 0.409 6.071 -2.961 1.00 90.77 O ATOM 1265 CB VAL A 80 1.074 2.784 -2.696 1.00 90.77 C ATOM 1266 CG1 VAL A 80 1.728 3.200 -4.005 1.00 90.77 C ATOM 1267 CG2 VAL A 80 1.905 1.730 -1.968 1.00 90.77 C ATOM 0 H VAL A 80 -0.069 2.610 -0.527 1.00 90.77 H new ATOM 0 HA VAL A 80 1.772 4.481 -1.534 1.00 90.77 H new ATOM 0 HB VAL A 80 0.110 2.336 -2.937 1.00 90.77 H new ATOM 0 HG11 VAL A 80 1.895 2.319 -4.625 1.00 90.77 H new ATOM 0 HG12 VAL A 80 1.076 3.896 -4.532 1.00 90.77 H new ATOM 0 HG13 VAL A 80 2.683 3.683 -3.797 1.00 90.77 H new ATOM 0 HG21 VAL A 80 2.069 0.877 -2.627 1.00 90.77 H new ATOM 0 HG22 VAL A 80 2.866 2.158 -1.683 1.00 90.77 H new ATOM 0 HG23 VAL A 80 1.374 1.402 -1.074 1.00 90.77 H new ATOM 1277 N ASP A 81 -1.317 4.657 -2.704 1.00 37.97 N ATOM 1278 CA ASP A 81 -2.265 5.508 -3.401 1.00 37.97 C ATOM 1279 C ASP A 81 -2.416 6.835 -2.685 1.00 37.97 C ATOM 1280 O ASP A 81 -2.489 7.889 -3.315 1.00 37.97 O ATOM 1281 CB ASP A 81 -3.625 4.814 -3.516 1.00 37.97 C ATOM 1282 CG ASP A 81 -3.620 3.681 -4.523 1.00 37.97 C ATOM 1283 OD1 ASP A 81 -2.603 3.513 -5.231 1.00 37.97 O ATOM 1284 OD2 ASP A 81 -4.638 2.962 -4.610 1.00 37.97 O ATOM 0 H ASP A 81 -1.711 3.781 -2.361 1.00 37.97 H new ATOM 0 HA ASP A 81 -1.882 5.695 -4.404 1.00 37.97 H new ATOM 0 HB2 ASP A 81 -3.914 4.425 -2.539 1.00 37.97 H new ATOM 0 HB3 ASP A 81 -4.379 5.547 -3.803 1.00 37.97 H new ATOM 1289 N TYR A 82 -2.452 6.779 -1.358 1.00130.70 N ATOM 1290 CA TYR A 82 -2.581 7.982 -0.563 1.00130.70 C ATOM 1291 C TYR A 82 -1.379 8.886 -0.776 1.00130.70 C ATOM 1292 O TYR A 82 -1.517 10.103 -0.894 1.00130.70 O ATOM 1293 CB TYR A 82 -2.726 7.623 0.917 1.00130.70 C ATOM 1294 CG TYR A 82 -2.475 8.779 1.871 1.00130.70 C ATOM 1295 CD1 TYR A 82 -1.175 9.194 2.150 1.00130.70 C ATOM 1296 CD2 TYR A 82 -3.521 9.447 2.488 1.00130.70 C ATOM 1297 CE1 TYR A 82 -0.931 10.239 3.013 1.00130.70 C ATOM 1298 CE2 TYR A 82 -3.278 10.486 3.351 1.00130.70 C ATOM 1299 CZ TYR A 82 -1.987 10.883 3.612 1.00130.70 C ATOM 1300 OH TYR A 82 -1.754 11.927 4.477 1.00130.70 O ATOM 0 H TYR A 82 -2.394 5.916 -0.818 1.00130.70 H new ATOM 0 HA TYR A 82 -3.476 8.518 -0.880 1.00130.70 H new ATOM 0 HB2 TYR A 82 -3.731 7.238 1.088 1.00130.70 H new ATOM 0 HB3 TYR A 82 -2.032 6.816 1.152 1.00130.70 H new ATOM 0 HD1 TYR A 82 -0.344 8.688 1.681 1.00130.70 H new ATOM 0 HD2 TYR A 82 -4.539 9.146 2.287 1.00130.70 H new ATOM 0 HE1 TYR A 82 0.083 10.550 3.218 1.00130.70 H new ATOM 0 HE2 TYR A 82 -4.104 10.994 3.827 1.00130.70 H new ATOM 0 HH TYR A 82 -1.143 12.568 4.058 1.00130.70 H new ATOM 1310 N ARG A 83 -0.193 8.282 -0.815 1.00265.02 N ATOM 1311 CA ARG A 83 1.041 9.032 -1.002 1.00265.02 C ATOM 1312 C ARG A 83 0.902 9.965 -2.190 1.00265.02 C ATOM 1313 O ARG A 83 1.202 11.141 -2.090 1.00265.02 O ATOM 1314 CB ARG A 83 2.206 8.047 -1.195 1.00265.02 C ATOM 1315 CG ARG A 83 3.483 8.652 -1.771 1.00265.02 C ATOM 1316 CD ARG A 83 3.824 8.038 -3.121 1.00265.02 C ATOM 1317 NE ARG A 83 5.258 8.082 -3.390 1.00265.02 N ATOM 1318 CZ ARG A 83 5.897 9.154 -3.857 1.00265.02 C ATOM 1319 NH1 ARG A 83 5.233 10.270 -4.140 1.00265.02 N ATOM 1320 NH2 ARG A 83 7.209 9.110 -4.038 1.00265.02 N ATOM 0 H ARG A 83 -0.064 7.275 -0.719 1.00265.02 H new ATOM 0 HA ARG A 83 1.246 9.642 -0.122 1.00265.02 H new ATOM 0 HB2 ARG A 83 2.441 7.594 -0.232 1.00265.02 H new ATOM 0 HB3 ARG A 83 1.875 7.243 -1.853 1.00265.02 H new ATOM 0 HG2 ARG A 83 3.361 9.730 -1.879 1.00265.02 H new ATOM 0 HG3 ARG A 83 4.309 8.493 -1.077 1.00265.02 H new ATOM 0 HD2 ARG A 83 3.481 7.004 -3.147 1.00265.02 H new ATOM 0 HD3 ARG A 83 3.290 8.571 -3.908 1.00265.02 H new ATOM 0 HE ARG A 83 5.805 7.240 -3.209 1.00265.02 H new ATOM 0 HH11 ARG A 83 4.224 10.312 -4.000 1.00265.02 H new ATOM 0 HH12 ARG A 83 5.733 11.084 -4.497 1.00265.02 H new ATOM 0 HH21 ARG A 83 7.726 8.258 -3.820 1.00265.02 H new ATOM 0 HH22 ARG A 83 7.702 9.928 -4.395 1.00265.02 H new ATOM 1334 N THR A 84 0.418 9.425 -3.290 1.00259.68 N ATOM 1335 CA THR A 84 0.203 10.192 -4.493 1.00259.68 C ATOM 1336 C THR A 84 -1.076 11.031 -4.435 1.00259.68 C ATOM 1337 O THR A 84 -1.104 12.160 -4.923 1.00259.68 O ATOM 1338 CB THR A 84 0.106 9.258 -5.702 1.00259.68 C ATOM 1339 OG1 THR A 84 1.283 8.449 -5.802 1.00259.68 O ATOM 1340 CG2 THR A 84 -0.086 10.053 -6.973 1.00259.68 C ATOM 0 H THR A 84 0.163 8.441 -3.372 1.00259.68 H new ATOM 0 HA THR A 84 1.055 10.866 -4.586 1.00259.68 H new ATOM 0 HB THR A 84 -0.758 8.608 -5.564 1.00259.68 H new ATOM 0 HG1 THR A 84 1.207 7.855 -6.578 1.00259.68 H new ATOM 0 HG21 THR A 84 -0.153 9.372 -7.822 1.00259.68 H new ATOM 0 HG22 THR A 84 -1.004 10.636 -6.902 1.00259.68 H new ATOM 0 HG23 THR A 84 0.761 10.725 -7.113 1.00259.68 H new ATOM 1348 N ARG A 85 -2.147 10.451 -3.903 1.00220.68 N ATOM 1349 CA ARG A 85 -3.430 11.144 -3.875 1.00220.68 C ATOM 1350 C ARG A 85 -3.364 12.409 -3.017 1.00220.68 C ATOM 1351 O ARG A 85 -3.805 13.476 -3.442 1.00220.68 O ATOM 1352 CB ARG A 85 -4.561 10.189 -3.421 1.00220.68 C ATOM 1353 CG ARG A 85 -4.882 10.203 -1.933 1.00220.68 C ATOM 1354 CD ARG A 85 -5.775 11.380 -1.589 1.00220.68 C ATOM 1355 NE ARG A 85 -6.704 11.080 -0.498 1.00220.68 N ATOM 1356 CZ ARG A 85 -7.703 10.199 -0.585 1.00220.68 C ATOM 1357 NH1 ARG A 85 -7.888 9.491 -1.691 1.00220.68 N ATOM 1358 NH2 ARG A 85 -8.514 10.020 0.448 1.00220.68 N ATOM 0 H ARG A 85 -2.154 9.518 -3.491 1.00220.68 H new ATOM 0 HA ARG A 85 -3.664 11.466 -4.890 1.00220.68 H new ATOM 0 HB2 ARG A 85 -5.467 10.442 -3.971 1.00220.68 H new ATOM 0 HB3 ARG A 85 -4.289 9.173 -3.705 1.00220.68 H new ATOM 0 HG2 ARG A 85 -5.375 9.272 -1.653 1.00220.68 H new ATOM 0 HG3 ARG A 85 -3.958 10.260 -1.357 1.00220.68 H new ATOM 0 HD2 ARG A 85 -5.156 12.232 -1.310 1.00220.68 H new ATOM 0 HD3 ARG A 85 -6.341 11.673 -2.473 1.00220.68 H new ATOM 0 HE ARG A 85 -6.580 11.576 0.385 1.00220.68 H new ATOM 0 HH11 ARG A 85 -7.263 9.617 -2.487 1.00220.68 H new ATOM 0 HH12 ARG A 85 -8.655 8.821 -1.745 1.00220.68 H new ATOM 0 HH21 ARG A 85 -8.374 10.555 1.305 1.00220.68 H new ATOM 0 HH22 ARG A 85 -9.279 9.348 0.386 1.00220.68 H new ATOM 1372 N VAL A 86 -2.784 12.299 -1.827 1.00 63.58 N ATOM 1373 CA VAL A 86 -2.644 13.460 -0.958 1.00 63.58 C ATOM 1374 C VAL A 86 -1.536 14.353 -1.503 1.00 63.58 C ATOM 1375 O VAL A 86 -1.593 15.575 -1.381 1.00 63.58 O ATOM 1376 CB VAL A 86 -2.381 13.065 0.518 1.00 63.58 C ATOM 1377 CG1 VAL A 86 -1.999 14.276 1.371 1.00 63.58 C ATOM 1378 CG2 VAL A 86 -3.623 12.400 1.086 1.00 63.58 C ATOM 0 H VAL A 86 -2.408 11.430 -1.446 1.00 63.58 H new ATOM 0 HA VAL A 86 -3.586 14.008 -0.956 1.00 63.58 H new ATOM 0 HB VAL A 86 -1.540 12.371 0.541 1.00 63.58 H new ATOM 0 HG11 VAL A 86 -1.823 13.957 2.398 1.00 63.58 H new ATOM 0 HG12 VAL A 86 -1.092 14.731 0.972 1.00 63.58 H new ATOM 0 HG13 VAL A 86 -2.809 15.005 1.351 1.00 63.58 H new ATOM 0 HG21 VAL A 86 -3.443 12.120 2.124 1.00 63.58 H new ATOM 0 HG22 VAL A 86 -4.462 13.094 1.037 1.00 63.58 H new ATOM 0 HG23 VAL A 86 -3.856 11.508 0.505 1.00 63.58 H new ATOM 1583 N LEU A 99 17.185 20.756 2.339 1.00281.45 N ATOM 1584 CA LEU A 99 18.132 21.796 2.725 1.00281.45 C ATOM 1585 C LEU A 99 17.631 22.584 3.937 1.00281.45 C ATOM 1586 O LEU A 99 16.430 22.630 4.205 1.00281.45 O ATOM 1587 CB LEU A 99 18.394 22.720 1.539 1.00281.45 C ATOM 1588 CG LEU A 99 18.618 22.002 0.202 1.00281.45 C ATOM 1589 CD1 LEU A 99 19.025 22.993 -0.881 1.00281.45 C ATOM 1590 CD2 LEU A 99 19.661 20.898 0.341 1.00281.45 C ATOM 0 HA LEU A 99 19.069 21.322 3.016 1.00281.45 H new ATOM 0 HB2 LEU A 99 17.549 23.401 1.433 1.00281.45 H new ATOM 0 HB3 LEU A 99 19.270 23.331 1.759 1.00281.45 H new ATOM 0 HG LEU A 99 17.676 21.540 -0.093 1.00281.45 H new ATOM 0 HD11 LEU A 99 19.179 22.462 -1.821 1.00281.45 H new ATOM 0 HD12 LEU A 99 18.238 23.736 -1.009 1.00281.45 H new ATOM 0 HD13 LEU A 99 19.950 23.491 -0.590 1.00281.45 H new ATOM 0 HD21 LEU A 99 19.800 20.406 -0.621 1.00281.45 H new ATOM 0 HD22 LEU A 99 20.607 21.330 0.668 1.00281.45 H new ATOM 0 HD23 LEU A 99 19.322 20.168 1.076 1.00281.45 H new ATOM 1602 N THR A 100 18.567 23.167 4.695 1.00235.89 N ATOM 1603 CA THR A 100 18.222 23.910 5.909 1.00235.89 C ATOM 1604 C THR A 100 17.920 25.401 5.667 1.00235.89 C ATOM 1605 O THR A 100 16.776 25.769 5.412 1.00235.89 O ATOM 1606 CB THR A 100 19.335 23.778 6.972 1.00235.89 C ATOM 1607 OG1 THR A 100 20.553 24.347 6.472 1.00235.89 O ATOM 1608 CG2 THR A 100 19.568 22.327 7.341 1.00235.89 C ATOM 0 H THR A 100 19.566 23.138 4.489 1.00235.89 H new ATOM 0 HA THR A 100 17.300 23.455 6.270 1.00235.89 H new ATOM 0 HB THR A 100 19.017 24.314 7.866 1.00235.89 H new ATOM 0 HG1 THR A 100 21.256 24.263 7.150 1.00235.89 H new ATOM 0 HG21 THR A 100 20.357 22.264 8.091 1.00235.89 H new ATOM 0 HG22 THR A 100 18.649 21.902 7.745 1.00235.89 H new ATOM 0 HG23 THR A 100 19.866 21.769 6.453 1.00235.89 H new ATOM 1616 N ARG A 101 18.941 26.261 5.781 1.00326.00 N ATOM 1617 CA ARG A 101 18.765 27.698 5.607 1.00326.00 C ATOM 1618 C ARG A 101 19.172 28.129 4.207 1.00326.00 C ATOM 1619 O ARG A 101 20.183 28.807 4.017 1.00326.00 O ATOM 1620 CB ARG A 101 19.571 28.451 6.663 1.00326.00 C ATOM 1621 CG ARG A 101 19.181 28.071 8.082 1.00326.00 C ATOM 1622 CD ARG A 101 20.076 26.975 8.632 1.00326.00 C ATOM 1623 NE ARG A 101 21.324 27.507 9.174 1.00326.00 N ATOM 1624 CZ ARG A 101 22.379 26.759 9.493 1.00326.00 C ATOM 1625 NH1 ARG A 101 22.326 25.434 9.389 1.00326.00 N ATOM 1626 NH2 ARG A 101 23.489 27.337 9.929 1.00326.00 N ATOM 0 H ARG A 101 19.898 25.979 5.994 1.00326.00 H new ATOM 0 HA ARG A 101 17.709 27.939 5.734 1.00326.00 H new ATOM 0 HB2 ARG A 101 20.632 28.249 6.516 1.00326.00 H new ATOM 0 HB3 ARG A 101 19.429 29.523 6.526 1.00326.00 H new ATOM 0 HG2 ARG A 101 19.243 28.949 8.725 1.00326.00 H new ATOM 0 HG3 ARG A 101 18.144 27.737 8.098 1.00326.00 H new ATOM 0 HD2 ARG A 101 19.545 26.431 9.413 1.00326.00 H new ATOM 0 HD3 ARG A 101 20.300 26.259 7.841 1.00326.00 H new ATOM 0 HE ARG A 101 21.392 28.515 9.317 1.00326.00 H new ATOM 0 HH11 ARG A 101 21.472 24.982 9.062 1.00326.00 H new ATOM 0 HH12 ARG A 101 23.139 24.870 9.636 1.00326.00 H new ATOM 0 HH21 ARG A 101 23.534 28.352 10.020 1.00326.00 H new ATOM 0 HH22 ARG A 101 24.299 26.767 10.174 1.00326.00 H new ATOM 1640 N ILE A 102 18.397 27.697 3.226 1.00164.55 N ATOM 1641 CA ILE A 102 18.684 27.994 1.834 1.00164.55 C ATOM 1642 C ILE A 102 17.675 28.993 1.260 1.00164.55 C ATOM 1643 O ILE A 102 16.532 28.639 1.000 1.00164.55 O ATOM 1644 CB ILE A 102 18.669 26.690 1.008 1.00164.55 C ATOM 1645 CG1 ILE A 102 19.838 25.784 1.412 1.00164.55 C ATOM 1646 CG2 ILE A 102 18.719 26.964 -0.490 1.00164.55 C ATOM 1647 CD1 ILE A 102 19.854 25.388 2.875 1.00164.55 C ATOM 0 H ILE A 102 17.558 27.135 3.371 1.00164.55 H new ATOM 0 HA ILE A 102 19.674 28.448 1.778 1.00164.55 H new ATOM 0 HB ILE A 102 17.728 26.183 1.224 1.00164.55 H new ATOM 0 HG12 ILE A 102 19.806 24.879 0.805 1.00164.55 H new ATOM 0 HG13 ILE A 102 20.773 26.293 1.177 1.00164.55 H new ATOM 0 HG21 ILE A 102 18.707 26.019 -1.033 1.00164.55 H new ATOM 0 HG22 ILE A 102 17.854 27.561 -0.780 1.00164.55 H new ATOM 0 HG23 ILE A 102 19.632 27.509 -0.730 1.00164.55 H new ATOM 0 HD11 ILE A 102 20.715 24.748 3.069 1.00164.55 H new ATOM 0 HD12 ILE A 102 19.920 26.283 3.494 1.00164.55 H new ATOM 0 HD13 ILE A 102 18.938 24.848 3.116 1.00164.55 H new ATOM 1659 N PRO A 103 18.074 30.255 1.053 1.00 72.69 N ATOM 1660 CA PRO A 103 17.175 31.273 0.510 1.00 72.69 C ATOM 1661 C PRO A 103 16.743 30.992 -0.932 1.00 72.69 C ATOM 1662 O PRO A 103 15.757 31.558 -1.407 1.00 72.69 O ATOM 1663 CB PRO A 103 18.006 32.559 0.568 1.00 72.69 C ATOM 1664 CG PRO A 103 19.126 32.264 1.502 1.00 72.69 C ATOM 1665 CD PRO A 103 19.407 30.802 1.335 1.00 72.69 C ATOM 0 HA PRO A 103 16.245 31.316 1.076 1.00 72.69 H new ATOM 0 HB2 PRO A 103 18.379 32.830 -0.420 1.00 72.69 H new ATOM 0 HB3 PRO A 103 17.408 33.398 0.924 1.00 72.69 H new ATOM 0 HG2 PRO A 103 20.005 32.863 1.263 1.00 72.69 H new ATOM 0 HG3 PRO A 103 18.851 32.497 2.531 1.00 72.69 H new ATOM 0 HD2 PRO A 103 20.105 30.613 0.519 1.00 72.69 H new ATOM 0 HD3 PRO A 103 19.843 30.367 2.234 1.00 72.69 H new ATOM 1673 N SER A 104 17.481 30.128 -1.632 1.00159.85 N ATOM 1674 CA SER A 104 17.151 29.802 -3.021 1.00159.85 C ATOM 1675 C SER A 104 16.097 28.691 -3.120 1.00159.85 C ATOM 1676 O SER A 104 15.568 28.426 -4.200 1.00159.85 O ATOM 1677 CB SER A 104 18.416 29.409 -3.792 1.00159.85 C ATOM 1678 OG SER A 104 18.937 28.173 -3.336 1.00159.85 O ATOM 0 H SER A 104 18.302 29.646 -1.265 1.00159.85 H new ATOM 0 HA SER A 104 16.721 30.697 -3.471 1.00159.85 H new ATOM 0 HB2 SER A 104 18.189 29.339 -4.856 1.00159.85 H new ATOM 0 HB3 SER A 104 19.170 30.188 -3.678 1.00159.85 H new ATOM 0 HG SER A 104 19.742 27.949 -3.848 1.00159.85 H new ATOM 1684 N ALA A 105 15.777 28.061 -1.989 1.00293.58 N ATOM 1685 CA ALA A 105 14.769 27.007 -1.943 1.00293.58 C ATOM 1686 C ALA A 105 13.861 27.242 -0.753 1.00293.58 C ATOM 1687 O ALA A 105 12.653 27.428 -0.893 1.00293.58 O ATOM 1688 CB ALA A 105 15.417 25.641 -1.831 1.00293.58 C ATOM 0 H ALA A 105 16.207 28.266 -1.087 1.00293.58 H new ATOM 0 HA ALA A 105 14.190 27.033 -2.866 1.00293.58 H new ATOM 0 HB1 ALA A 105 14.644 24.873 -1.798 1.00293.58 H new ATOM 0 HB2 ALA A 105 16.061 25.472 -2.694 1.00293.58 H new ATOM 0 HB3 ALA A 105 16.013 25.595 -0.920 1.00293.58 H new ATOM 1694 N LYS A 106 14.475 27.266 0.420 1.00328.40 N ATOM 1695 CA LYS A 106 13.769 27.514 1.658 1.00328.40 C ATOM 1696 C LYS A 106 13.514 29.008 1.771 1.00328.40 C ATOM 1697 O LYS A 106 14.366 29.810 1.383 1.00328.40 O ATOM 1698 CB LYS A 106 14.617 27.026 2.829 1.00328.40 C ATOM 1699 CG LYS A 106 15.107 25.597 2.659 1.00328.40 C ATOM 1700 CD LYS A 106 13.955 24.608 2.599 1.00328.40 C ATOM 1701 CE LYS A 106 13.602 24.086 3.981 1.00328.40 C ATOM 1702 NZ LYS A 106 12.929 22.759 3.918 1.00328.40 N ATOM 0 H LYS A 106 15.477 27.114 0.536 1.00328.40 H new ATOM 0 HA LYS A 106 12.819 26.980 1.673 1.00328.40 H new ATOM 0 HB2 LYS A 106 15.476 27.686 2.947 1.00328.40 H new ATOM 0 HB3 LYS A 106 14.033 27.096 3.746 1.00328.40 H new ATOM 0 HG2 LYS A 106 15.698 25.522 1.746 1.00328.40 H new ATOM 0 HG3 LYS A 106 15.766 25.338 3.488 1.00328.40 H new ATOM 0 HD2 LYS A 106 13.083 25.089 2.156 1.00328.40 H new ATOM 0 HD3 LYS A 106 14.223 23.774 1.950 1.00328.40 H new ATOM 0 HE2 LYS A 106 14.508 24.005 4.581 1.00328.40 H new ATOM 0 HE3 LYS A 106 12.950 24.800 4.483 1.00328.40 H new ATOM 0 HZ1 LYS A 106 12.705 22.438 4.881 1.00328.40 H new ATOM 0 HZ2 LYS A 106 12.051 22.841 3.367 1.00328.40 H new ATOM 0 HZ3 LYS A 106 13.561 22.071 3.462 1.00328.40 H new ATOM 1716 N LYS A 107 12.343 29.395 2.256 1.00281.61 N ATOM 1717 CA LYS A 107 12.022 30.811 2.343 1.00281.61 C ATOM 1718 C LYS A 107 12.744 31.514 3.484 1.00281.61 C ATOM 1719 O LYS A 107 13.293 30.888 4.393 1.00281.61 O ATOM 1720 CB LYS A 107 10.524 31.054 2.432 1.00281.61 C ATOM 1721 CG LYS A 107 9.753 30.464 1.262 1.00281.61 C ATOM 1722 CD LYS A 107 8.522 31.297 0.934 1.00281.61 C ATOM 1723 CE LYS A 107 8.898 32.582 0.205 1.00281.61 C ATOM 1724 NZ LYS A 107 7.877 33.657 0.390 1.00281.61 N ATOM 0 H LYS A 107 11.614 28.764 2.589 1.00281.61 H new ATOM 0 HA LYS A 107 12.383 31.249 1.412 1.00281.61 H new ATOM 0 HB2 LYS A 107 10.147 30.626 3.361 1.00281.61 H new ATOM 0 HB3 LYS A 107 10.338 32.127 2.478 1.00281.61 H new ATOM 0 HG2 LYS A 107 10.401 30.409 0.387 1.00281.61 H new ATOM 0 HG3 LYS A 107 9.452 29.444 1.500 1.00281.61 H new ATOM 0 HD2 LYS A 107 7.840 30.713 0.317 1.00281.61 H new ATOM 0 HD3 LYS A 107 7.990 31.541 1.854 1.00281.61 H new ATOM 0 HE2 LYS A 107 9.863 32.934 0.568 1.00281.61 H new ATOM 0 HE3 LYS A 107 9.014 32.373 -0.858 1.00281.61 H new ATOM 0 HZ1 LYS A 107 8.175 34.511 -0.123 1.00281.61 H new ATOM 0 HZ2 LYS A 107 6.961 33.333 0.020 1.00281.61 H new ATOM 0 HZ3 LYS A 107 7.783 33.876 1.402 1.00281.61 H new ATOM 1738 N TYR A 108 12.747 32.834 3.381 1.00309.62 N ATOM 1739 CA TYR A 108 13.403 33.721 4.331 1.00309.62 C ATOM 1740 C TYR A 108 12.406 34.543 5.120 1.00309.62 C ATOM 1741 O TYR A 108 11.354 34.927 4.610 1.00309.62 O ATOM 1742 CB TYR A 108 14.335 34.654 3.563 1.00309.62 C ATOM 1743 CG TYR A 108 13.625 35.469 2.497 1.00309.62 C ATOM 1744 CD1 TYR A 108 13.255 34.898 1.283 1.00309.62 C ATOM 1745 CD2 TYR A 108 13.333 36.809 2.699 1.00309.62 C ATOM 1746 CE1 TYR A 108 12.615 35.638 0.309 1.00309.62 C ATOM 1747 CE2 TYR A 108 12.696 37.559 1.726 1.00309.62 C ATOM 1748 CZ TYR A 108 12.340 36.969 0.533 1.00309.62 C ATOM 1749 OH TYR A 108 11.708 37.711 -0.438 1.00309.62 O ATOM 0 H TYR A 108 12.284 33.329 2.619 1.00309.62 H new ATOM 0 HA TYR A 108 13.961 33.111 5.041 1.00309.62 H new ATOM 0 HB2 TYR A 108 14.819 35.332 4.266 1.00309.62 H new ATOM 0 HB3 TYR A 108 15.123 34.064 3.095 1.00309.62 H new ATOM 0 HD1 TYR A 108 13.473 33.856 1.099 1.00309.62 H new ATOM 0 HD2 TYR A 108 13.608 37.276 3.633 1.00309.62 H new ATOM 0 HE1 TYR A 108 12.331 35.175 -0.625 1.00309.62 H new ATOM 0 HE2 TYR A 108 12.479 38.602 1.901 1.00309.62 H new ATOM 0 HH TYR A 108 11.122 37.129 -0.965 1.00309.62 H new ATOM 1759 N LYS A 109 12.762 34.834 6.360 1.00276.51 N ATOM 1760 CA LYS A 109 11.917 35.642 7.221 1.00276.51 C ATOM 1761 C LYS A 109 12.351 37.101 7.234 1.00276.51 C ATOM 1762 O LYS A 109 11.768 37.914 7.948 1.00276.51 O ATOM 1763 CB LYS A 109 11.909 35.092 8.640 1.00276.51 C ATOM 1764 CG LYS A 109 13.309 34.871 9.191 1.00276.51 C ATOM 1765 CD LYS A 109 13.277 34.442 10.648 1.00276.51 C ATOM 1766 CE LYS A 109 13.398 35.641 11.573 1.00276.51 C ATOM 1767 NZ LYS A 109 12.888 35.340 12.939 1.00276.51 N ATOM 0 H LYS A 109 13.631 34.522 6.793 1.00276.51 H new ATOM 0 HA LYS A 109 10.907 35.594 6.813 1.00276.51 H new ATOM 0 HB2 LYS A 109 11.372 35.783 9.290 1.00276.51 H new ATOM 0 HB3 LYS A 109 11.363 34.149 8.657 1.00276.51 H new ATOM 0 HG2 LYS A 109 13.818 34.110 8.599 1.00276.51 H new ATOM 0 HG3 LYS A 109 13.888 35.790 9.095 1.00276.51 H new ATOM 0 HD2 LYS A 109 12.347 33.912 10.854 1.00276.51 H new ATOM 0 HD3 LYS A 109 14.091 33.744 10.843 1.00276.51 H new ATOM 0 HE2 LYS A 109 14.442 35.949 11.635 1.00276.51 H new ATOM 0 HE3 LYS A 109 12.843 36.480 11.155 1.00276.51 H new ATOM 0 HZ1 LYS A 109 12.988 36.183 13.540 1.00276.51 H new ATOM 0 HZ2 LYS A 109 11.885 35.071 12.884 1.00276.51 H new ATOM 0 HZ3 LYS A 109 13.435 34.556 13.349 1.00276.51 H new ATOM 1781 N ASP A 110 13.340 37.446 6.415 1.00203.92 N ATOM 1782 CA ASP A 110 13.786 38.829 6.326 1.00203.92 C ATOM 1783 C ASP A 110 12.645 39.693 5.788 1.00203.92 C ATOM 1784 O ASP A 110 12.626 40.909 5.979 1.00203.92 O ATOM 1785 CB ASP A 110 15.010 38.961 5.420 1.00203.92 C ATOM 1786 CG ASP A 110 16.206 38.187 5.935 1.00203.92 C ATOM 1787 OD1 ASP A 110 16.368 38.098 7.171 1.00203.92 O ATOM 1788 OD2 ASP A 110 16.985 37.677 5.102 1.00203.92 O ATOM 0 H ASP A 110 13.841 36.795 5.811 1.00203.92 H new ATOM 0 HA ASP A 110 14.070 39.166 7.323 1.00203.92 H new ATOM 0 HB2 ASP A 110 14.757 38.607 4.421 1.00203.92 H new ATOM 0 HB3 ASP A 110 15.276 40.014 5.328 1.00203.92 H new ATOM 1793 N ILE A 111 11.677 39.041 5.134 1.00 50.97 N ATOM 1794 CA ILE A 111 10.522 39.722 4.593 1.00 50.97 C ATOM 1795 C ILE A 111 9.612 40.115 5.753 1.00 50.97 C ATOM 1796 O ILE A 111 9.735 39.570 6.851 1.00 50.97 O ATOM 1797 CB ILE A 111 9.801 38.830 3.521 1.00 50.97 C ATOM 1798 CG1 ILE A 111 9.666 39.600 2.208 1.00 50.97 C ATOM 1799 CG2 ILE A 111 8.430 38.312 3.968 1.00 50.97 C ATOM 1800 CD1 ILE A 111 9.557 38.709 0.992 1.00 50.97 C ATOM 0 H ILE A 111 11.682 38.034 4.972 1.00 50.97 H new ATOM 0 HA ILE A 111 10.820 40.630 4.069 1.00 50.97 H new ATOM 0 HB ILE A 111 10.429 37.950 3.383 1.00 50.97 H new ATOM 0 HG12 ILE A 111 8.784 40.239 2.260 1.00 50.97 H new ATOM 0 HG13 ILE A 111 10.528 40.256 2.091 1.00 50.97 H new ATOM 0 HG21 ILE A 111 7.994 37.704 3.175 1.00 50.97 H new ATOM 0 HG22 ILE A 111 8.545 37.707 4.867 1.00 50.97 H new ATOM 0 HG23 ILE A 111 7.774 39.156 4.180 1.00 50.97 H new ATOM 0 HD11 ILE A 111 9.464 39.324 0.097 1.00 50.97 H new ATOM 0 HD12 ILE A 111 10.450 38.088 0.914 1.00 50.97 H new ATOM 0 HD13 ILE A 111 8.678 38.071 1.086 1.00 50.97 H new ATOM 1812 N ILE A 112 8.735 41.076 5.531 1.00108.96 N ATOM 1813 CA ILE A 112 7.863 41.536 6.599 1.00108.96 C ATOM 1814 C ILE A 112 6.691 40.598 6.818 1.00108.96 C ATOM 1815 O ILE A 112 5.676 40.683 6.124 1.00108.96 O ATOM 1816 CB ILE A 112 7.290 42.932 6.296 1.00108.96 C ATOM 1817 CG1 ILE A 112 8.397 43.890 5.850 1.00108.96 C ATOM 1818 CG2 ILE A 112 6.568 43.476 7.516 1.00108.96 C ATOM 1819 CD1 ILE A 112 9.547 43.997 6.830 1.00108.96 C ATOM 0 H ILE A 112 8.607 41.548 4.636 1.00108.96 H new ATOM 0 HA ILE A 112 8.483 41.568 7.495 1.00108.96 H new ATOM 0 HB ILE A 112 6.575 42.843 5.478 1.00108.96 H new ATOM 0 HG12 ILE A 112 8.784 43.559 4.886 1.00108.96 H new ATOM 0 HG13 ILE A 112 7.968 44.880 5.699 1.00108.96 H new ATOM 0 HG21 ILE A 112 6.167 44.464 7.291 1.00108.96 H new ATOM 0 HG22 ILE A 112 5.752 42.805 7.785 1.00108.96 H new ATOM 0 HG23 ILE A 112 7.267 43.550 8.349 1.00108.96 H new ATOM 0 HD11 ILE A 112 10.291 44.694 6.444 1.00108.96 H new ATOM 0 HD12 ILE A 112 9.175 44.358 7.789 1.00108.96 H new ATOM 0 HD13 ILE A 112 10.004 43.016 6.964 1.00108.96 H new