USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 893 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 24 HIS : no HE2:sc= 0.415 K(o=0.97,f=-0.19) USER MOD Set 1.2: A 94 TYR OH : rot 126:sc= 0.551 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc=-0.00659 (180deg=-0.139) USER MOD Single : A 4 MET CE :methyl -161:sc= -0.0986 (180deg=-0.525) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -120:sc= 0.55 (180deg=-1.79!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.255 K(o=-0.25,f=-1) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -2.48 K(o=-2.5,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc=-0.00183 (180deg=-0.0771) USER MOD Single : A 31 ASN : amide:sc= -1.79 K(o=-1.8,f=-13!) USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= 0.741 (180deg=0.321) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0582 X(o=-0.058,f=-0.0081) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.39 K(o=-0.39,f=-6.6!) USER MOD Single : A 68 ASN : amide:sc= -0.368 K(o=-0.37,f=-4.5!) USER MOD Single : A 69 GLN : amide:sc= 0.629 K(o=0.63,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -29:sc= 0.0161 USER MOD Single : A 75 THR OG1 : rot 57:sc= 0.245 USER MOD Single : A 76 LYS NZ :NH3+ -170:sc=-0.00595 (180deg=-0.137) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -34:sc= 0.0729 USER MOD Single : A 83 TYR OH : rot -156:sc= 0.494 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 98 LYS NZ :NH3+ -179:sc= 2.11 (180deg=2.06) USER MOD Single : A 102 LYS NZ :NH3+ -119:sc= 0.309 (180deg=-0.923!) USER MOD Single : A 105 HIS : no HE2:sc= -1.1 K(o=-1.1,f=-5.9!) USER MOD Single : A 106 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.24) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 108 HIS : no HD1:sc= -0.0753 X(o=-0.075,f=0.00092) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.405 -25.015 -20.737 1.00 23.02 N ATOM 2 CA MET A 1 6.535 -24.060 -20.668 1.00 25.25 C ATOM 3 C MET A 1 6.071 -22.736 -20.066 1.00 30.41 C ATOM 4 O MET A 1 4.961 -22.276 -20.340 1.00 23.12 O ATOM 5 CB MET A 1 7.137 -23.837 -22.067 1.00 5.33 C ATOM 6 CG MET A 1 6.141 -23.324 -23.103 1.00 10.31 C ATOM 7 SD MET A 1 6.874 -23.141 -24.741 1.00 34.53 S ATOM 8 CE MET A 1 5.457 -22.599 -25.695 1.00 35.13 C ATOM 0 H1 MET A 1 5.441 -25.531 -21.639 1.00 23.02 H new ATOM 0 H2 MET A 1 5.473 -25.690 -19.949 1.00 23.02 H new ATOM 0 H3 MET A 1 4.507 -24.495 -20.671 1.00 23.02 H new ATOM 0 HA MET A 1 7.309 -24.481 -20.026 1.00 25.25 H new ATOM 0 HB2 MET A 1 7.959 -23.126 -21.987 1.00 5.33 H new ATOM 0 HB3 MET A 1 7.561 -24.776 -22.422 1.00 5.33 H new ATOM 0 HG2 MET A 1 5.297 -24.012 -23.162 1.00 10.31 H new ATOM 0 HG3 MET A 1 5.746 -22.362 -22.776 1.00 10.31 H new ATOM 0 HE1 MET A 1 5.754 -22.444 -26.732 1.00 35.13 H new ATOM 0 HE2 MET A 1 4.677 -23.359 -25.651 1.00 35.13 H new ATOM 0 HE3 MET A 1 5.077 -21.664 -25.283 1.00 35.13 H new ATOM 20 N ILE A 2 6.919 -22.133 -19.240 1.00 74.05 N ATOM 21 CA ILE A 2 6.584 -20.883 -18.564 1.00 0.14 C ATOM 22 C ILE A 2 7.339 -19.704 -19.191 1.00 12.32 C ATOM 23 O ILE A 2 8.504 -19.447 -18.877 1.00 72.24 O ATOM 24 CB ILE A 2 6.870 -20.971 -17.033 1.00 70.14 C ATOM 25 CG1 ILE A 2 6.598 -19.624 -16.335 1.00 42.21 C ATOM 26 CG2 ILE A 2 8.298 -21.450 -16.757 1.00 5.35 C ATOM 27 CD1 ILE A 2 5.156 -19.162 -16.424 1.00 4.01 C ATOM 0 H ILE A 2 7.849 -22.491 -19.021 1.00 74.05 H new ATOM 0 HA ILE A 2 5.515 -20.713 -18.694 1.00 0.14 H new ATOM 0 HB ILE A 2 6.185 -21.710 -16.616 1.00 70.14 H new ATOM 0 HG12 ILE A 2 6.877 -19.708 -15.285 1.00 42.21 H new ATOM 0 HG13 ILE A 2 7.241 -18.862 -16.776 1.00 42.21 H new ATOM 0 HG21 ILE A 2 8.463 -21.500 -15.681 1.00 5.35 H new ATOM 0 HG22 ILE A 2 8.440 -22.439 -17.192 1.00 5.35 H new ATOM 0 HG23 ILE A 2 9.008 -20.752 -17.201 1.00 5.35 H new ATOM 0 HD11 ILE A 2 5.047 -18.208 -15.909 1.00 4.01 H new ATOM 0 HD12 ILE A 2 4.876 -19.043 -17.471 1.00 4.01 H new ATOM 0 HD13 ILE A 2 4.507 -19.903 -15.956 1.00 4.01 H new ATOM 39 N GLY A 3 6.671 -19.012 -20.109 1.00 44.11 N ATOM 40 CA GLY A 3 7.242 -17.823 -20.715 1.00 74.43 C ATOM 41 C GLY A 3 7.272 -16.665 -19.741 1.00 61.43 C ATOM 42 O GLY A 3 6.381 -15.814 -19.747 1.00 45.12 O ATOM 0 H GLY A 3 5.739 -19.255 -20.445 1.00 44.11 H new ATOM 0 HA2 GLY A 3 8.254 -18.038 -21.058 1.00 74.43 H new ATOM 0 HA3 GLY A 3 6.660 -17.546 -21.594 1.00 74.43 H new ATOM 46 N MET A 4 8.287 -16.654 -18.884 1.00 23.33 N ATOM 47 CA MET A 4 8.416 -15.643 -17.839 1.00 2.21 C ATOM 48 C MET A 4 8.462 -14.233 -18.426 1.00 63.23 C ATOM 49 O MET A 4 9.205 -13.969 -19.373 1.00 12.42 O ATOM 50 CB MET A 4 9.682 -15.893 -17.004 1.00 3.21 C ATOM 51 CG MET A 4 9.695 -17.228 -16.271 1.00 52.41 C ATOM 52 SD MET A 4 11.191 -17.459 -15.285 1.00 15.10 S ATOM 53 CE MET A 4 12.447 -17.487 -16.566 1.00 74.54 C ATOM 0 H MET A 4 9.040 -17.342 -18.893 1.00 23.33 H new ATOM 0 HA MET A 4 7.537 -15.721 -17.199 1.00 2.21 H new ATOM 0 HB2 MET A 4 10.551 -15.843 -17.660 1.00 3.21 H new ATOM 0 HB3 MET A 4 9.786 -15.090 -16.274 1.00 3.21 H new ATOM 0 HG2 MET A 4 8.822 -17.291 -15.621 1.00 52.41 H new ATOM 0 HG3 MET A 4 9.612 -18.038 -16.996 1.00 52.41 H new ATOM 0 HE1 MET A 4 13.354 -17.948 -16.176 1.00 74.54 H new ATOM 0 HE2 MET A 4 12.085 -18.062 -17.418 1.00 74.54 H new ATOM 0 HE3 MET A 4 12.666 -16.467 -16.883 1.00 74.54 H new ATOM 63 N SER A 5 7.657 -13.339 -17.867 1.00 45.24 N ATOM 64 CA SER A 5 7.692 -11.930 -18.231 1.00 71.44 C ATOM 65 C SER A 5 8.112 -11.118 -17.005 1.00 53.43 C ATOM 66 O SER A 5 7.280 -10.758 -16.168 1.00 5.21 O ATOM 67 CB SER A 5 6.317 -11.476 -18.751 1.00 20.32 C ATOM 68 OG SER A 5 6.365 -10.158 -19.274 1.00 14.32 O ATOM 0 H SER A 5 6.966 -13.569 -17.153 1.00 45.24 H new ATOM 0 HA SER A 5 8.414 -11.771 -19.032 1.00 71.44 H new ATOM 0 HB2 SER A 5 5.975 -12.163 -19.525 1.00 20.32 H new ATOM 0 HB3 SER A 5 5.589 -11.520 -17.941 1.00 20.32 H new ATOM 0 HG SER A 5 5.476 -9.902 -19.597 1.00 14.32 H new ATOM 74 N GLU A 6 9.414 -10.880 -16.876 1.00 32.13 N ATOM 75 CA GLU A 6 9.960 -10.193 -15.707 1.00 54.34 C ATOM 76 C GLU A 6 10.069 -8.691 -15.960 1.00 22.43 C ATOM 77 O GLU A 6 9.684 -8.199 -17.023 1.00 31.02 O ATOM 78 CB GLU A 6 11.326 -10.782 -15.296 1.00 54.44 C ATOM 79 CG GLU A 6 12.416 -10.724 -16.371 1.00 61.32 C ATOM 80 CD GLU A 6 12.212 -11.727 -17.500 1.00 1.53 C ATOM 81 OE1 GLU A 6 12.523 -12.922 -17.305 1.00 44.44 O ATOM 82 OE2 GLU A 6 11.746 -11.326 -18.586 1.00 35.44 O ATOM 0 H GLU A 6 10.113 -11.153 -17.567 1.00 32.13 H new ATOM 0 HA GLU A 6 9.269 -10.349 -14.879 1.00 54.34 H new ATOM 0 HB2 GLU A 6 11.681 -10.250 -14.413 1.00 54.44 H new ATOM 0 HB3 GLU A 6 11.181 -11.822 -15.005 1.00 54.44 H new ATOM 0 HG2 GLU A 6 12.448 -9.719 -16.791 1.00 61.32 H new ATOM 0 HG3 GLU A 6 13.384 -10.906 -15.905 1.00 61.32 H new ATOM 89 N LYS A 7 10.597 -7.970 -14.976 1.00 54.10 N ATOM 90 CA LYS A 7 10.629 -6.510 -15.010 1.00 43.32 C ATOM 91 C LYS A 7 11.909 -5.979 -14.376 1.00 24.42 C ATOM 92 O LYS A 7 12.370 -6.510 -13.362 1.00 23.34 O ATOM 93 CB LYS A 7 9.424 -5.945 -14.240 1.00 20.41 C ATOM 94 CG LYS A 7 9.238 -6.572 -12.851 1.00 63.21 C ATOM 95 CD LYS A 7 8.866 -5.545 -11.782 1.00 31.23 C ATOM 96 CE LYS A 7 10.036 -4.624 -11.444 1.00 72.43 C ATOM 97 NZ LYS A 7 11.203 -5.373 -10.898 1.00 61.24 N ATOM 0 H LYS A 7 11.012 -8.377 -14.138 1.00 54.10 H new ATOM 0 HA LYS A 7 10.591 -6.195 -16.053 1.00 43.32 H new ATOM 0 HB2 LYS A 7 9.545 -4.867 -14.130 1.00 20.41 H new ATOM 0 HB3 LYS A 7 8.520 -6.106 -14.827 1.00 20.41 H new ATOM 0 HG2 LYS A 7 8.460 -7.334 -12.903 1.00 63.21 H new ATOM 0 HG3 LYS A 7 10.159 -7.076 -12.559 1.00 63.21 H new ATOM 0 HD2 LYS A 7 8.023 -4.948 -12.130 1.00 31.23 H new ATOM 0 HD3 LYS A 7 8.539 -6.062 -10.880 1.00 31.23 H new ATOM 0 HE2 LYS A 7 10.341 -4.083 -12.340 1.00 72.43 H new ATOM 0 HE3 LYS A 7 9.712 -3.880 -10.717 1.00 72.43 H new ATOM 0 HZ1 LYS A 7 11.419 -5.029 -9.941 1.00 61.24 H new ATOM 0 HZ2 LYS A 7 10.977 -6.387 -10.859 1.00 61.24 H new ATOM 0 HZ3 LYS A 7 12.029 -5.226 -11.513 1.00 61.24 H new ATOM 111 N ARG A 8 12.467 -4.927 -14.969 1.00 54.32 N ATOM 112 CA ARG A 8 13.590 -4.218 -14.367 1.00 23.34 C ATOM 113 C ARG A 8 13.098 -3.412 -13.166 1.00 1.14 C ATOM 114 O ARG A 8 13.275 -3.822 -12.019 1.00 41.34 O ATOM 115 CB ARG A 8 14.283 -3.304 -15.389 1.00 53.01 C ATOM 116 CG ARG A 8 15.045 -4.060 -16.478 1.00 12.01 C ATOM 117 CD ARG A 8 15.674 -3.109 -17.490 1.00 31.21 C ATOM 118 NE ARG A 8 14.664 -2.371 -18.250 1.00 21.04 N ATOM 119 CZ ARG A 8 14.619 -1.040 -18.349 1.00 22.42 C ATOM 120 NH1 ARG A 8 15.492 -0.285 -17.692 1.00 53.05 N ATOM 121 NH2 ARG A 8 13.685 -0.464 -19.097 1.00 4.11 N ATOM 0 H ARG A 8 12.160 -4.548 -15.865 1.00 54.32 H new ATOM 0 HA ARG A 8 14.326 -4.949 -14.032 1.00 23.34 H new ATOM 0 HB2 ARG A 8 13.534 -2.667 -15.859 1.00 53.01 H new ATOM 0 HB3 ARG A 8 14.976 -2.647 -14.863 1.00 53.01 H new ATOM 0 HG2 ARG A 8 15.823 -4.671 -16.020 1.00 12.01 H new ATOM 0 HG3 ARG A 8 14.366 -4.741 -16.992 1.00 12.01 H new ATOM 0 HD2 ARG A 8 16.323 -2.404 -16.970 1.00 31.21 H new ATOM 0 HD3 ARG A 8 16.303 -3.675 -18.177 1.00 31.21 H new ATOM 0 HE ARG A 8 13.947 -2.909 -18.736 1.00 21.04 H new ATOM 0 HH11 ARG A 8 16.204 -0.721 -17.106 1.00 53.05 H new ATOM 0 HH12 ARG A 8 15.450 0.731 -17.773 1.00 53.05 H new ATOM 0 HH21 ARG A 8 13.004 -1.038 -19.594 1.00 4.11 H new ATOM 0 HH22 ARG A 8 13.649 0.552 -19.174 1.00 4.11 H new ATOM 135 N GLY A 9 12.434 -2.287 -13.426 1.00 70.11 N ATOM 136 CA GLY A 9 11.918 -1.485 -12.338 1.00 23.20 C ATOM 137 C GLY A 9 11.485 -0.090 -12.752 1.00 54.10 C ATOM 138 O GLY A 9 11.617 0.311 -13.913 1.00 11.42 O ATOM 0 H GLY A 9 12.248 -1.923 -14.361 1.00 70.11 H new ATOM 0 HA2 GLY A 9 11.068 -2.001 -11.891 1.00 23.20 H new ATOM 0 HA3 GLY A 9 12.683 -1.403 -11.566 1.00 23.20 H new ATOM 142 N GLU A 10 10.964 0.633 -11.771 1.00 23.34 N ATOM 143 CA GLU A 10 10.501 2.006 -11.929 1.00 52.30 C ATOM 144 C GLU A 10 10.420 2.620 -10.537 1.00 2.21 C ATOM 145 O GLU A 10 11.264 3.426 -10.142 1.00 63.13 O ATOM 146 CB GLU A 10 9.122 2.046 -12.615 1.00 62.02 C ATOM 147 CG GLU A 10 8.580 3.456 -12.842 1.00 22.14 C ATOM 148 CD GLU A 10 9.403 4.256 -13.841 1.00 2.00 C ATOM 149 OE1 GLU A 10 10.430 4.843 -13.440 1.00 34.50 O ATOM 150 OE2 GLU A 10 9.026 4.300 -15.030 1.00 30.11 O ATOM 0 H GLU A 10 10.849 0.275 -10.823 1.00 23.34 H new ATOM 0 HA GLU A 10 11.191 2.567 -12.560 1.00 52.30 H new ATOM 0 HB2 GLU A 10 9.191 1.536 -13.576 1.00 62.02 H new ATOM 0 HB3 GLU A 10 8.410 1.488 -12.008 1.00 62.02 H new ATOM 0 HG2 GLU A 10 7.551 3.391 -13.197 1.00 22.14 H new ATOM 0 HG3 GLU A 10 8.556 3.988 -11.891 1.00 22.14 H new ATOM 157 N ILE A 11 9.403 2.201 -9.791 1.00 31.24 N ATOM 158 CA ILE A 11 9.313 2.472 -8.365 1.00 22.43 C ATOM 159 C ILE A 11 8.937 1.172 -7.666 1.00 4.40 C ATOM 160 O ILE A 11 7.764 0.905 -7.393 1.00 12.21 O ATOM 161 CB ILE A 11 8.281 3.580 -8.015 1.00 23.35 C ATOM 162 CG1 ILE A 11 8.542 4.855 -8.840 1.00 62.24 C ATOM 163 CG2 ILE A 11 8.326 3.887 -6.516 1.00 14.33 C ATOM 164 CD1 ILE A 11 7.546 5.969 -8.581 1.00 5.42 C ATOM 0 H ILE A 11 8.619 1.664 -10.161 1.00 31.24 H new ATOM 0 HA ILE A 11 10.280 2.844 -8.027 1.00 22.43 H new ATOM 0 HB ILE A 11 7.285 3.216 -8.267 1.00 23.35 H new ATOM 0 HG12 ILE A 11 9.545 5.219 -8.620 1.00 62.24 H new ATOM 0 HG13 ILE A 11 8.521 4.601 -9.900 1.00 62.24 H new ATOM 0 HG21 ILE A 11 7.599 4.665 -6.282 1.00 14.33 H new ATOM 0 HG22 ILE A 11 8.087 2.985 -5.953 1.00 14.33 H new ATOM 0 HG23 ILE A 11 9.324 4.230 -6.245 1.00 14.33 H new ATOM 0 HD11 ILE A 11 7.796 6.832 -9.198 1.00 5.42 H new ATOM 0 HD12 ILE A 11 6.542 5.624 -8.829 1.00 5.42 H new ATOM 0 HD13 ILE A 11 7.583 6.253 -7.529 1.00 5.42 H new ATOM 176 N MET A 12 9.943 0.342 -7.447 1.00 61.11 N ATOM 177 CA MET A 12 9.756 -0.997 -6.900 1.00 62.25 C ATOM 178 C MET A 12 10.139 -1.032 -5.428 1.00 31.12 C ATOM 179 O MET A 12 11.131 -0.428 -5.016 1.00 63.22 O ATOM 180 CB MET A 12 10.588 -2.015 -7.693 1.00 41.23 C ATOM 181 CG MET A 12 12.023 -1.572 -7.948 1.00 31.44 C ATOM 182 SD MET A 12 12.108 -0.171 -9.089 1.00 2.33 S ATOM 183 CE MET A 12 13.856 0.219 -9.031 1.00 73.44 C ATOM 0 H MET A 12 10.916 0.576 -7.643 1.00 61.11 H new ATOM 0 HA MET A 12 8.702 -1.262 -6.987 1.00 62.25 H new ATOM 0 HB2 MET A 12 10.601 -2.961 -7.151 1.00 41.23 H new ATOM 0 HB3 MET A 12 10.100 -2.202 -8.650 1.00 41.23 H new ATOM 0 HG2 MET A 12 12.491 -1.298 -7.003 1.00 31.44 H new ATOM 0 HG3 MET A 12 12.593 -2.407 -8.356 1.00 31.44 H new ATOM 0 HE1 MET A 12 14.062 1.065 -9.686 1.00 73.44 H new ATOM 0 HE2 MET A 12 14.138 0.474 -8.010 1.00 73.44 H new ATOM 0 HE3 MET A 12 14.433 -0.645 -9.362 1.00 73.44 H new ATOM 193 N ILE A 13 9.337 -1.736 -4.640 1.00 34.41 N ATOM 194 CA ILE A 13 9.532 -1.822 -3.200 1.00 35.02 C ATOM 195 C ILE A 13 9.794 -3.271 -2.804 1.00 25.11 C ATOM 196 O ILE A 13 8.864 -4.075 -2.723 1.00 12.21 O ATOM 197 CB ILE A 13 8.291 -1.303 -2.424 1.00 73.14 C ATOM 198 CG1 ILE A 13 7.779 0.019 -3.030 1.00 23.45 C ATOM 199 CG2 ILE A 13 8.616 -1.130 -0.937 1.00 42.52 C ATOM 200 CD1 ILE A 13 8.810 1.127 -3.071 1.00 11.12 C ATOM 0 H ILE A 13 8.533 -2.263 -4.982 1.00 34.41 H new ATOM 0 HA ILE A 13 10.387 -1.197 -2.942 1.00 35.02 H new ATOM 0 HB ILE A 13 7.498 -2.046 -2.515 1.00 73.14 H new ATOM 0 HG12 ILE A 13 7.428 -0.172 -4.044 1.00 23.45 H new ATOM 0 HG13 ILE A 13 6.919 0.360 -2.454 1.00 23.45 H new ATOM 0 HG21 ILE A 13 7.733 -0.766 -0.412 1.00 42.52 H new ATOM 0 HG22 ILE A 13 8.918 -2.089 -0.517 1.00 42.52 H new ATOM 0 HG23 ILE A 13 9.428 -0.412 -0.823 1.00 42.52 H new ATOM 0 HD11 ILE A 13 8.367 2.020 -3.512 1.00 11.12 H new ATOM 0 HD12 ILE A 13 9.145 1.350 -2.058 1.00 11.12 H new ATOM 0 HD13 ILE A 13 9.661 0.810 -3.673 1.00 11.12 H new ATOM 212 N LEU A 14 11.059 -3.609 -2.602 1.00 53.14 N ATOM 213 CA LEU A 14 11.433 -4.949 -2.166 1.00 31.31 C ATOM 214 C LEU A 14 11.462 -5.004 -0.641 1.00 73.22 C ATOM 215 O LEU A 14 12.325 -4.393 -0.004 1.00 44.43 O ATOM 216 CB LEU A 14 12.804 -5.356 -2.742 1.00 64.41 C ATOM 217 CG LEU A 14 12.838 -5.666 -4.252 1.00 35.23 C ATOM 218 CD1 LEU A 14 12.461 -4.439 -5.084 1.00 42.11 C ATOM 219 CD2 LEU A 14 14.213 -6.200 -4.661 1.00 61.21 C ATOM 0 H LEU A 14 11.846 -2.974 -2.733 1.00 53.14 H new ATOM 0 HA LEU A 14 10.690 -5.655 -2.538 1.00 31.31 H new ATOM 0 HB2 LEU A 14 13.513 -4.553 -2.540 1.00 64.41 H new ATOM 0 HB3 LEU A 14 13.156 -6.236 -2.203 1.00 64.41 H new ATOM 0 HG LEU A 14 12.095 -6.438 -4.451 1.00 35.23 H new ATOM 0 HD11 LEU A 14 12.495 -4.693 -6.143 1.00 42.11 H new ATOM 0 HD12 LEU A 14 11.454 -4.116 -4.821 1.00 42.11 H new ATOM 0 HD13 LEU A 14 13.165 -3.632 -4.882 1.00 42.11 H new ATOM 0 HD21 LEU A 14 14.217 -6.413 -5.730 1.00 61.21 H new ATOM 0 HD22 LEU A 14 14.975 -5.453 -4.437 1.00 61.21 H new ATOM 0 HD23 LEU A 14 14.427 -7.115 -4.108 1.00 61.21 H new ATOM 231 N ILE A 15 10.508 -5.728 -0.068 1.00 74.25 N ATOM 232 CA ILE A 15 10.393 -5.866 1.379 1.00 4.52 C ATOM 233 C ILE A 15 9.939 -7.284 1.734 1.00 34.14 C ATOM 234 O ILE A 15 9.052 -7.835 1.084 1.00 14.14 O ATOM 235 CB ILE A 15 9.402 -4.818 1.965 1.00 15.42 C ATOM 236 CG1 ILE A 15 9.338 -4.927 3.500 1.00 21.53 C ATOM 237 CG2 ILE A 15 8.009 -4.973 1.347 1.00 34.44 C ATOM 238 CD1 ILE A 15 8.405 -3.927 4.151 1.00 64.43 C ATOM 0 H ILE A 15 9.794 -6.235 -0.591 1.00 74.25 H new ATOM 0 HA ILE A 15 11.373 -5.684 1.820 1.00 4.52 H new ATOM 0 HB ILE A 15 9.772 -3.825 1.710 1.00 15.42 H new ATOM 0 HG12 ILE A 15 9.020 -5.934 3.769 1.00 21.53 H new ATOM 0 HG13 ILE A 15 10.340 -4.790 3.906 1.00 21.53 H new ATOM 0 HG21 ILE A 15 7.337 -4.229 1.774 1.00 34.44 H new ATOM 0 HG22 ILE A 15 8.071 -4.829 0.268 1.00 34.44 H new ATOM 0 HG23 ILE A 15 7.626 -5.971 1.558 1.00 34.44 H new ATOM 0 HD11 ILE A 15 8.416 -4.069 5.232 1.00 64.43 H new ATOM 0 HD12 ILE A 15 8.734 -2.915 3.914 1.00 64.43 H new ATOM 0 HD13 ILE A 15 7.392 -4.076 3.776 1.00 64.43 H new ATOM 250 N GLN A 16 10.575 -7.878 2.747 1.00 54.14 N ATOM 251 CA GLN A 16 10.279 -9.255 3.167 1.00 70.31 C ATOM 252 C GLN A 16 10.483 -10.228 2.001 1.00 53.14 C ATOM 253 O GLN A 16 9.843 -11.279 1.931 1.00 62.52 O ATOM 254 CB GLN A 16 8.843 -9.368 3.719 1.00 70.25 C ATOM 255 CG GLN A 16 8.557 -8.435 4.894 1.00 41.02 C ATOM 256 CD GLN A 16 9.580 -8.554 6.016 1.00 63.24 C ATOM 257 OE1 GLN A 16 10.162 -9.615 6.239 1.00 65.41 O ATOM 258 NE2 GLN A 16 9.810 -7.461 6.728 1.00 34.21 N ATOM 0 H GLN A 16 11.304 -7.424 3.297 1.00 54.14 H new ATOM 0 HA GLN A 16 10.971 -9.520 3.966 1.00 70.31 H new ATOM 0 HB2 GLN A 16 8.138 -9.152 2.916 1.00 70.25 H new ATOM 0 HB3 GLN A 16 8.665 -10.397 4.033 1.00 70.25 H new ATOM 0 HG2 GLN A 16 8.538 -7.406 4.536 1.00 41.02 H new ATOM 0 HG3 GLN A 16 7.565 -8.653 5.290 1.00 41.02 H new ATOM 0 HE21 GLN A 16 9.309 -6.599 6.515 1.00 34.21 H new ATOM 0 HE22 GLN A 16 10.488 -7.482 7.489 1.00 34.21 H new ATOM 267 N ASN A 17 11.398 -9.866 1.102 1.00 13.43 N ATOM 268 CA ASN A 17 11.711 -10.669 -0.084 1.00 74.22 C ATOM 269 C ASN A 17 10.509 -10.746 -1.024 1.00 73.02 C ATOM 270 O ASN A 17 10.386 -11.681 -1.817 1.00 20.42 O ATOM 271 CB ASN A 17 12.187 -12.080 0.304 1.00 2.21 C ATOM 272 CG ASN A 17 13.491 -12.057 1.082 1.00 72.30 C ATOM 273 OD1 ASN A 17 14.578 -12.050 0.500 1.00 71.14 O ATOM 274 ND2 ASN A 17 13.396 -12.057 2.400 1.00 21.23 N ATOM 0 H ASN A 17 11.944 -9.008 1.174 1.00 13.43 H new ATOM 0 HA ASN A 17 12.527 -10.174 -0.610 1.00 74.22 H new ATOM 0 HB2 ASN A 17 11.418 -12.568 0.903 1.00 2.21 H new ATOM 0 HB3 ASN A 17 12.316 -12.678 -0.598 1.00 2.21 H new ATOM 0 HD21 ASN A 17 14.240 -12.051 2.972 1.00 21.23 H new ATOM 0 HD22 ASN A 17 12.478 -12.063 2.845 1.00 21.23 H new ATOM 281 N ALA A 18 9.638 -9.745 -0.938 1.00 5.44 N ATOM 282 CA ALA A 18 8.508 -9.602 -1.846 1.00 0.44 C ATOM 283 C ALA A 18 8.541 -8.212 -2.479 1.00 62.25 C ATOM 284 O ALA A 18 8.657 -7.211 -1.770 1.00 14.31 O ATOM 285 CB ALA A 18 7.192 -9.826 -1.106 1.00 55.12 C ATOM 0 H ALA A 18 9.697 -9.009 -0.234 1.00 5.44 H new ATOM 0 HA ALA A 18 8.581 -10.354 -2.631 1.00 0.44 H new ATOM 0 HB1 ALA A 18 6.360 -9.715 -1.801 1.00 55.12 H new ATOM 0 HB2 ALA A 18 7.179 -10.830 -0.682 1.00 55.12 H new ATOM 0 HB3 ALA A 18 7.096 -9.093 -0.305 1.00 55.12 H new ATOM 291 N GLU A 19 8.466 -8.153 -3.809 1.00 54.44 N ATOM 292 CA GLU A 19 8.527 -6.882 -4.528 1.00 33.22 C ATOM 293 C GLU A 19 7.117 -6.371 -4.821 1.00 72.43 C ATOM 294 O GLU A 19 6.231 -7.146 -5.200 1.00 35.33 O ATOM 295 CB GLU A 19 9.316 -7.035 -5.839 1.00 31.40 C ATOM 296 CG GLU A 19 9.508 -5.720 -6.595 1.00 24.43 C ATOM 297 CD GLU A 19 10.249 -5.882 -7.915 1.00 73.31 C ATOM 298 OE1 GLU A 19 9.875 -6.755 -8.719 1.00 42.12 O ATOM 299 OE2 GLU A 19 11.194 -5.114 -8.172 1.00 72.10 O ATOM 0 H GLU A 19 8.363 -8.971 -4.409 1.00 54.44 H new ATOM 0 HA GLU A 19 9.042 -6.157 -3.897 1.00 33.22 H new ATOM 0 HB2 GLU A 19 10.294 -7.463 -5.617 1.00 31.40 H new ATOM 0 HB3 GLU A 19 8.797 -7.743 -6.485 1.00 31.40 H new ATOM 0 HG2 GLU A 19 8.532 -5.275 -6.787 1.00 24.43 H new ATOM 0 HG3 GLU A 19 10.057 -5.023 -5.962 1.00 24.43 H new ATOM 306 N PHE A 20 6.914 -5.073 -4.612 1.00 71.13 N ATOM 307 CA PHE A 20 5.651 -4.408 -4.926 1.00 34.11 C ATOM 308 C PHE A 20 5.932 -3.147 -5.742 1.00 24.13 C ATOM 309 O PHE A 20 6.824 -2.377 -5.395 1.00 24.13 O ATOM 310 CB PHE A 20 4.905 -4.024 -3.639 1.00 63.23 C ATOM 311 CG PHE A 20 4.602 -5.184 -2.717 1.00 4.22 C ATOM 312 CD1 PHE A 20 3.443 -5.931 -2.875 1.00 3.22 C ATOM 313 CD2 PHE A 20 5.474 -5.523 -1.687 1.00 32.20 C ATOM 314 CE1 PHE A 20 3.160 -6.989 -2.029 1.00 64.42 C ATOM 315 CE2 PHE A 20 5.194 -6.580 -0.840 1.00 44.03 C ATOM 316 CZ PHE A 20 4.036 -7.314 -1.011 1.00 43.43 C ATOM 0 H PHE A 20 7.621 -4.451 -4.220 1.00 71.13 H new ATOM 0 HA PHE A 20 5.028 -5.094 -5.500 1.00 34.11 H new ATOM 0 HB2 PHE A 20 5.500 -3.290 -3.095 1.00 63.23 H new ATOM 0 HB3 PHE A 20 3.968 -3.537 -3.909 1.00 63.23 H new ATOM 0 HD1 PHE A 20 2.753 -5.683 -3.668 1.00 3.22 H new ATOM 0 HD2 PHE A 20 6.381 -4.954 -1.547 1.00 32.20 H new ATOM 0 HE1 PHE A 20 2.254 -7.561 -2.165 1.00 64.42 H new ATOM 0 HE2 PHE A 20 5.880 -6.832 -0.045 1.00 44.03 H new ATOM 0 HZ PHE A 20 3.816 -8.140 -0.351 1.00 43.43 H new ATOM 326 N GLU A 21 5.177 -2.932 -6.814 1.00 33.23 N ATOM 327 CA GLU A 21 5.352 -1.737 -7.638 1.00 34.21 C ATOM 328 C GLU A 21 4.347 -0.662 -7.228 1.00 54.11 C ATOM 329 O GLU A 21 3.173 -0.957 -6.976 1.00 44.41 O ATOM 330 CB GLU A 21 5.196 -2.070 -9.137 1.00 44.21 C ATOM 331 CG GLU A 21 3.816 -2.600 -9.531 1.00 63.40 C ATOM 332 CD GLU A 21 3.622 -2.705 -11.041 1.00 64.43 C ATOM 333 OE1 GLU A 21 3.605 -1.651 -11.714 1.00 64.21 O ATOM 334 OE2 GLU A 21 3.480 -3.836 -11.562 1.00 71.12 O ATOM 0 H GLU A 21 4.442 -3.564 -7.133 1.00 33.23 H new ATOM 0 HA GLU A 21 6.362 -1.359 -7.478 1.00 34.21 H new ATOM 0 HB2 GLU A 21 5.406 -1.173 -9.719 1.00 44.21 H new ATOM 0 HB3 GLU A 21 5.947 -2.811 -9.411 1.00 44.21 H new ATOM 0 HG2 GLU A 21 3.670 -3.583 -9.083 1.00 63.40 H new ATOM 0 HG3 GLU A 21 3.050 -1.944 -9.117 1.00 63.40 H new ATOM 341 N LEU A 22 4.819 0.576 -7.122 1.00 12.31 N ATOM 342 CA LEU A 22 3.951 1.704 -6.811 1.00 73.40 C ATOM 343 C LEU A 22 3.112 2.050 -8.040 1.00 13.34 C ATOM 344 O LEU A 22 3.614 2.623 -9.009 1.00 21.34 O ATOM 345 CB LEU A 22 4.782 2.920 -6.365 1.00 40.52 C ATOM 346 CG LEU A 22 3.972 4.168 -5.968 1.00 3.45 C ATOM 347 CD1 LEU A 22 3.078 3.879 -4.761 1.00 51.13 C ATOM 348 CD2 LEU A 22 4.902 5.348 -5.682 1.00 21.24 C ATOM 0 H LEU A 22 5.801 0.823 -7.247 1.00 12.31 H new ATOM 0 HA LEU A 22 3.289 1.430 -5.989 1.00 73.40 H new ATOM 0 HB2 LEU A 22 5.400 2.624 -5.517 1.00 40.52 H new ATOM 0 HB3 LEU A 22 5.460 3.191 -7.174 1.00 40.52 H new ATOM 0 HG LEU A 22 3.330 4.434 -6.807 1.00 3.45 H new ATOM 0 HD11 LEU A 22 2.517 4.776 -4.501 1.00 51.13 H new ATOM 0 HD12 LEU A 22 2.384 3.075 -5.006 1.00 51.13 H new ATOM 0 HD13 LEU A 22 3.696 3.579 -3.914 1.00 51.13 H new ATOM 0 HD21 LEU A 22 4.309 6.219 -5.403 1.00 21.24 H new ATOM 0 HD22 LEU A 22 5.575 5.091 -4.864 1.00 21.24 H new ATOM 0 HD23 LEU A 22 5.485 5.576 -6.574 1.00 21.24 H new ATOM 360 N VAL A 23 1.839 1.680 -7.999 1.00 32.41 N ATOM 361 CA VAL A 23 0.954 1.853 -9.148 1.00 41.03 C ATOM 362 C VAL A 23 0.135 3.134 -9.044 1.00 71.34 C ATOM 363 O VAL A 23 -0.498 3.549 -10.015 1.00 11.13 O ATOM 364 CB VAL A 23 -0.005 0.648 -9.304 1.00 12.22 C ATOM 365 CG1 VAL A 23 0.787 -0.635 -9.546 1.00 72.14 C ATOM 366 CG2 VAL A 23 -0.913 0.509 -8.080 1.00 4.34 C ATOM 0 H VAL A 23 1.394 1.258 -7.184 1.00 32.41 H new ATOM 0 HA VAL A 23 1.596 1.919 -10.026 1.00 41.03 H new ATOM 0 HB VAL A 23 -0.641 0.826 -10.171 1.00 12.22 H new ATOM 0 HG11 VAL A 23 0.098 -1.473 -9.654 1.00 72.14 H new ATOM 0 HG12 VAL A 23 1.378 -0.532 -10.456 1.00 72.14 H new ATOM 0 HG13 VAL A 23 1.451 -0.817 -8.701 1.00 72.14 H new ATOM 0 HG21 VAL A 23 -1.577 -0.345 -8.215 1.00 4.34 H new ATOM 0 HG22 VAL A 23 -0.303 0.357 -7.190 1.00 4.34 H new ATOM 0 HG23 VAL A 23 -1.507 1.415 -7.963 1.00 4.34 H new ATOM 376 N HIS A 24 0.136 3.756 -7.870 1.00 51.43 N ATOM 377 CA HIS A 24 -0.645 4.969 -7.655 1.00 63.25 C ATOM 378 C HIS A 24 -0.074 5.757 -6.479 1.00 71.43 C ATOM 379 O HIS A 24 0.185 5.192 -5.415 1.00 0.24 O ATOM 380 CB HIS A 24 -2.116 4.592 -7.397 1.00 31.31 C ATOM 381 CG HIS A 24 -3.093 5.692 -7.676 1.00 41.25 C ATOM 382 ND1 HIS A 24 -3.698 5.862 -8.902 1.00 60.02 N ATOM 383 CD2 HIS A 24 -3.589 6.665 -6.877 1.00 24.54 C ATOM 384 CE1 HIS A 24 -4.522 6.888 -8.845 1.00 0.33 C ATOM 385 NE2 HIS A 24 -4.478 7.395 -7.627 1.00 75.42 N ATOM 0 H HIS A 24 0.666 3.443 -7.057 1.00 51.43 H new ATOM 0 HA HIS A 24 -0.594 5.598 -8.543 1.00 63.25 H new ATOM 0 HB2 HIS A 24 -2.371 3.730 -8.014 1.00 31.31 H new ATOM 0 HB3 HIS A 24 -2.222 4.283 -6.357 1.00 31.31 H new ATOM 0 HD1 HIS A 24 -3.533 5.283 -9.726 1.00 60.02 H new ATOM 0 HD2 HIS A 24 -3.333 6.836 -5.842 1.00 24.54 H new ATOM 0 HE1 HIS A 24 -5.131 7.253 -9.658 1.00 0.33 H new ATOM 394 N ASN A 25 0.107 7.061 -6.670 1.00 2.34 N ATOM 395 CA ASN A 25 0.673 7.932 -5.635 1.00 53.11 C ATOM 396 C ASN A 25 -0.022 9.291 -5.676 1.00 22.54 C ATOM 397 O ASN A 25 -0.271 9.834 -6.755 1.00 4.13 O ATOM 398 CB ASN A 25 2.185 8.110 -5.855 1.00 0.24 C ATOM 399 CG ASN A 25 2.899 8.785 -4.687 1.00 75.53 C ATOM 400 OD1 ASN A 25 2.299 9.511 -3.890 1.00 43.41 O ATOM 401 ND2 ASN A 25 4.203 8.567 -4.593 1.00 63.42 N ATOM 0 H ASN A 25 -0.131 7.543 -7.537 1.00 2.34 H new ATOM 0 HA ASN A 25 0.515 7.473 -4.659 1.00 53.11 H new ATOM 0 HB2 ASN A 25 2.635 7.133 -6.029 1.00 0.24 H new ATOM 0 HB3 ASN A 25 2.345 8.700 -6.757 1.00 0.24 H new ATOM 0 HD21 ASN A 25 4.741 9.005 -3.845 1.00 63.42 H new ATOM 0 HD22 ASN A 25 4.669 7.961 -5.269 1.00 63.42 H new ATOM 408 N PHE A 26 -0.334 9.836 -4.506 1.00 30.24 N ATOM 409 CA PHE A 26 -1.041 11.110 -4.409 1.00 51.54 C ATOM 410 C PHE A 26 -0.283 12.061 -3.481 1.00 20.00 C ATOM 411 O PHE A 26 -0.174 11.803 -2.282 1.00 21.12 O ATOM 412 CB PHE A 26 -2.469 10.867 -3.892 1.00 62.24 C ATOM 413 CG PHE A 26 -3.390 12.062 -4.000 1.00 4.53 C ATOM 414 CD1 PHE A 26 -3.994 12.380 -5.208 1.00 71.54 C ATOM 415 CD2 PHE A 26 -3.663 12.852 -2.893 1.00 75.00 C ATOM 416 CE1 PHE A 26 -4.849 13.461 -5.309 1.00 40.12 C ATOM 417 CE2 PHE A 26 -4.519 13.933 -2.989 1.00 72.20 C ATOM 418 CZ PHE A 26 -5.113 14.238 -4.197 1.00 22.00 C ATOM 0 H PHE A 26 -0.107 9.413 -3.606 1.00 30.24 H new ATOM 0 HA PHE A 26 -1.099 11.570 -5.395 1.00 51.54 H new ATOM 0 HB2 PHE A 26 -2.906 10.037 -4.447 1.00 62.24 H new ATOM 0 HB3 PHE A 26 -2.416 10.559 -2.848 1.00 62.24 H new ATOM 0 HD1 PHE A 26 -3.793 11.775 -6.080 1.00 71.54 H new ATOM 0 HD2 PHE A 26 -3.201 12.620 -1.945 1.00 75.00 H new ATOM 0 HE1 PHE A 26 -5.310 13.698 -6.256 1.00 40.12 H new ATOM 0 HE2 PHE A 26 -4.723 14.539 -2.119 1.00 72.20 H new ATOM 0 HZ PHE A 26 -5.783 15.082 -4.273 1.00 22.00 H new ATOM 428 N LYS A 27 0.270 13.134 -4.058 1.00 52.10 N ATOM 429 CA LYS A 27 0.997 14.161 -3.300 1.00 33.43 C ATOM 430 C LYS A 27 2.154 13.548 -2.508 1.00 51.54 C ATOM 431 O LYS A 27 2.503 14.019 -1.418 1.00 33.21 O ATOM 432 CB LYS A 27 0.043 14.941 -2.372 1.00 10.53 C ATOM 433 CG LYS A 27 -0.781 16.013 -3.088 1.00 41.44 C ATOM 434 CD LYS A 27 -1.592 15.442 -4.248 1.00 20.33 C ATOM 435 CE LYS A 27 -2.442 16.505 -4.935 1.00 21.21 C ATOM 436 NZ LYS A 27 -1.612 17.563 -5.567 1.00 65.31 N ATOM 0 H LYS A 27 0.227 13.315 -5.061 1.00 52.10 H new ATOM 0 HA LYS A 27 1.421 14.866 -4.015 1.00 33.43 H new ATOM 0 HB2 LYS A 27 -0.635 14.237 -1.890 1.00 10.53 H new ATOM 0 HB3 LYS A 27 0.626 15.413 -1.582 1.00 10.53 H new ATOM 0 HG2 LYS A 27 -1.455 16.486 -2.374 1.00 41.44 H new ATOM 0 HG3 LYS A 27 -0.115 16.791 -3.461 1.00 41.44 H new ATOM 0 HD2 LYS A 27 -0.916 14.994 -4.976 1.00 20.33 H new ATOM 0 HD3 LYS A 27 -2.238 14.645 -3.880 1.00 20.33 H new ATOM 0 HE2 LYS A 27 -3.067 16.034 -5.694 1.00 21.21 H new ATOM 0 HE3 LYS A 27 -3.113 16.959 -4.206 1.00 21.21 H new ATOM 0 HZ1 LYS A 27 -2.219 18.188 -6.135 1.00 65.31 H new ATOM 0 HZ2 LYS A 27 -1.137 18.120 -4.828 1.00 65.31 H new ATOM 0 HZ3 LYS A 27 -0.897 17.123 -6.181 1.00 65.31 H new ATOM 450 N ASP A 28 2.762 12.514 -3.091 1.00 20.43 N ATOM 451 CA ASP A 28 3.894 11.815 -2.484 1.00 53.30 C ATOM 452 C ASP A 28 3.503 11.219 -1.138 1.00 60.21 C ATOM 453 O ASP A 28 4.287 11.232 -0.184 1.00 35.32 O ATOM 454 CB ASP A 28 5.108 12.747 -2.331 1.00 61.44 C ATOM 455 CG ASP A 28 5.664 13.203 -3.670 1.00 44.32 C ATOM 456 OD1 ASP A 28 6.123 12.346 -4.457 1.00 71.11 O ATOM 457 OD2 ASP A 28 5.630 14.419 -3.954 1.00 12.12 O ATOM 0 H ASP A 28 2.483 12.138 -3.997 1.00 20.43 H new ATOM 0 HA ASP A 28 4.178 11.001 -3.151 1.00 53.30 H new ATOM 0 HB2 ASP A 28 4.820 13.620 -1.744 1.00 61.44 H new ATOM 0 HB3 ASP A 28 5.890 12.231 -1.773 1.00 61.44 H new ATOM 462 N GLY A 29 2.285 10.687 -1.072 1.00 4.44 N ATOM 463 CA GLY A 29 1.840 9.987 0.118 1.00 51.51 C ATOM 464 C GLY A 29 2.751 8.823 0.445 1.00 14.23 C ATOM 465 O GLY A 29 2.903 8.440 1.605 1.00 42.40 O ATOM 0 H GLY A 29 1.598 10.729 -1.824 1.00 4.44 H new ATOM 0 HA2 GLY A 29 1.813 10.678 0.960 1.00 51.51 H new ATOM 0 HA3 GLY A 29 0.823 9.625 -0.030 1.00 51.51 H new ATOM 469 N PHE A 30 3.368 8.271 -0.600 1.00 71.22 N ATOM 470 CA PHE A 30 4.328 7.187 -0.454 1.00 61.13 C ATOM 471 C PHE A 30 5.562 7.649 0.321 1.00 45.33 C ATOM 472 O PHE A 30 6.097 8.734 0.080 1.00 65.31 O ATOM 473 CB PHE A 30 4.745 6.644 -1.829 1.00 72.34 C ATOM 474 CG PHE A 30 5.917 5.699 -1.763 1.00 61.04 C ATOM 475 CD1 PHE A 30 5.768 4.417 -1.252 1.00 72.52 C ATOM 476 CD2 PHE A 30 7.175 6.104 -2.192 1.00 32.03 C ATOM 477 CE1 PHE A 30 6.848 3.560 -1.175 1.00 44.33 C ATOM 478 CE2 PHE A 30 8.256 5.253 -2.115 1.00 43.03 C ATOM 479 CZ PHE A 30 8.095 3.979 -1.606 1.00 63.53 C ATOM 0 H PHE A 30 3.215 8.564 -1.565 1.00 71.22 H new ATOM 0 HA PHE A 30 3.845 6.388 0.109 1.00 61.13 H new ATOM 0 HB2 PHE A 30 3.897 6.130 -2.282 1.00 72.34 H new ATOM 0 HB3 PHE A 30 4.997 7.480 -2.482 1.00 72.34 H new ATOM 0 HD1 PHE A 30 4.798 4.087 -0.911 1.00 72.52 H new ATOM 0 HD2 PHE A 30 7.307 7.099 -2.591 1.00 32.03 H new ATOM 0 HE1 PHE A 30 6.720 2.564 -0.779 1.00 44.33 H new ATOM 0 HE2 PHE A 30 9.228 5.582 -2.452 1.00 43.03 H new ATOM 0 HZ PHE A 30 8.941 3.311 -1.544 1.00 63.53 H new ATOM 489 N ASN A 31 5.999 6.804 1.245 1.00 3.34 N ATOM 490 CA ASN A 31 7.187 7.048 2.051 1.00 53.30 C ATOM 491 C ASN A 31 7.752 5.698 2.489 1.00 62.14 C ATOM 492 O ASN A 31 7.084 4.953 3.207 1.00 2.43 O ATOM 493 CB ASN A 31 6.827 7.925 3.266 1.00 61.23 C ATOM 494 CG ASN A 31 8.009 8.219 4.182 1.00 63.22 C ATOM 495 OD1 ASN A 31 8.909 7.402 4.343 1.00 73.43 O ATOM 496 ND2 ASN A 31 8.002 9.392 4.792 1.00 40.51 N ATOM 0 H ASN A 31 5.534 5.921 1.458 1.00 3.34 H new ATOM 0 HA ASN A 31 7.940 7.583 1.473 1.00 53.30 H new ATOM 0 HB2 ASN A 31 6.410 8.868 2.912 1.00 61.23 H new ATOM 0 HB3 ASN A 31 6.047 7.428 3.843 1.00 61.23 H new ATOM 0 HD21 ASN A 31 8.764 9.644 5.422 1.00 40.51 H new ATOM 0 HD22 ASN A 31 7.235 10.045 4.632 1.00 40.51 H new ATOM 503 N GLU A 32 8.968 5.378 2.045 1.00 54.25 N ATOM 504 CA GLU A 32 9.529 4.042 2.246 1.00 63.10 C ATOM 505 C GLU A 32 9.754 3.751 3.727 1.00 4.21 C ATOM 506 O GLU A 32 9.300 2.725 4.239 1.00 61.33 O ATOM 507 CB GLU A 32 10.858 3.870 1.494 1.00 54.31 C ATOM 508 CG GLU A 32 11.406 2.444 1.564 1.00 72.23 C ATOM 509 CD GLU A 32 12.862 2.335 1.139 1.00 54.05 C ATOM 510 OE1 GLU A 32 13.150 2.485 -0.064 1.00 32.23 O ATOM 511 OE2 GLU A 32 13.725 2.095 2.014 1.00 14.44 O ATOM 0 H GLU A 32 9.581 6.023 1.546 1.00 54.25 H new ATOM 0 HA GLU A 32 8.801 3.335 1.848 1.00 63.10 H new ATOM 0 HB2 GLU A 32 10.716 4.148 0.450 1.00 54.31 H new ATOM 0 HB3 GLU A 32 11.595 4.557 1.909 1.00 54.31 H new ATOM 0 HG2 GLU A 32 11.304 2.073 2.584 1.00 72.23 H new ATOM 0 HG3 GLU A 32 10.800 1.798 0.928 1.00 72.23 H new ATOM 518 N GLU A 33 10.444 4.662 4.414 1.00 5.35 N ATOM 519 CA GLU A 33 10.815 4.441 5.812 1.00 12.41 C ATOM 520 C GLU A 33 9.569 4.294 6.685 1.00 13.11 C ATOM 521 O GLU A 33 9.558 3.516 7.641 1.00 54.31 O ATOM 522 CB GLU A 33 11.721 5.572 6.337 1.00 24.20 C ATOM 523 CG GLU A 33 11.085 6.959 6.296 1.00 55.50 C ATOM 524 CD GLU A 33 11.923 8.018 6.993 1.00 14.25 C ATOM 525 OE1 GLU A 33 12.801 8.623 6.344 1.00 13.42 O ATOM 526 OE2 GLU A 33 11.710 8.249 8.201 1.00 61.01 O ATOM 0 H GLU A 33 10.755 5.554 4.029 1.00 5.35 H new ATOM 0 HA GLU A 33 11.382 3.511 5.863 1.00 12.41 H new ATOM 0 HB2 GLU A 33 12.005 5.346 7.365 1.00 24.20 H new ATOM 0 HB3 GLU A 33 12.639 5.589 5.749 1.00 24.20 H new ATOM 0 HG2 GLU A 33 10.931 7.251 5.257 1.00 55.50 H new ATOM 0 HG3 GLU A 33 10.102 6.916 6.764 1.00 55.50 H new ATOM 533 N ALA A 34 8.519 5.033 6.337 1.00 43.32 N ATOM 534 CA ALA A 34 7.245 4.945 7.045 1.00 5.32 C ATOM 535 C ALA A 34 6.526 3.643 6.692 1.00 3.14 C ATOM 536 O ALA A 34 6.021 2.940 7.568 1.00 24.13 O ATOM 537 CB ALA A 34 6.371 6.151 6.714 1.00 64.44 C ATOM 0 H ALA A 34 8.526 5.701 5.567 1.00 43.32 H new ATOM 0 HA ALA A 34 7.441 4.946 8.117 1.00 5.32 H new ATOM 0 HB1 ALA A 34 5.424 6.072 7.249 1.00 64.44 H new ATOM 0 HB2 ALA A 34 6.883 7.065 7.015 1.00 64.44 H new ATOM 0 HB3 ALA A 34 6.180 6.179 5.641 1.00 64.44 H new ATOM 543 N PHE A 35 6.510 3.321 5.402 1.00 41.23 N ATOM 544 CA PHE A 35 5.839 2.124 4.899 1.00 35.21 C ATOM 545 C PHE A 35 6.397 0.864 5.558 1.00 41.04 C ATOM 546 O PHE A 35 5.671 0.124 6.219 1.00 52.05 O ATOM 547 CB PHE A 35 5.991 2.033 3.372 1.00 34.02 C ATOM 548 CG PHE A 35 5.469 0.748 2.776 1.00 13.34 C ATOM 549 CD1 PHE A 35 4.106 0.544 2.617 1.00 20.22 C ATOM 550 CD2 PHE A 35 6.343 -0.257 2.378 1.00 45.11 C ATOM 551 CE1 PHE A 35 3.626 -0.633 2.074 1.00 53.34 C ATOM 552 CE2 PHE A 35 5.868 -1.434 1.835 1.00 62.12 C ATOM 553 CZ PHE A 35 4.508 -1.623 1.683 1.00 4.43 C ATOM 0 H PHE A 35 6.960 3.880 4.677 1.00 41.23 H new ATOM 0 HA PHE A 35 4.781 2.199 5.149 1.00 35.21 H new ATOM 0 HB2 PHE A 35 5.467 2.872 2.915 1.00 34.02 H new ATOM 0 HB3 PHE A 35 7.045 2.138 3.116 1.00 34.02 H new ATOM 0 HD1 PHE A 35 3.412 1.314 2.921 1.00 20.22 H new ATOM 0 HD2 PHE A 35 7.407 -0.115 2.495 1.00 45.11 H new ATOM 0 HE1 PHE A 35 2.563 -0.779 1.955 1.00 53.34 H new ATOM 0 HE2 PHE A 35 6.559 -2.206 1.529 1.00 62.12 H new ATOM 0 HZ PHE A 35 4.134 -2.543 1.259 1.00 4.43 H new ATOM 563 N LYS A 36 7.696 0.645 5.394 1.00 32.35 N ATOM 564 CA LYS A 36 8.343 -0.582 5.858 1.00 62.51 C ATOM 565 C LYS A 36 8.275 -0.705 7.382 1.00 74.25 C ATOM 566 O LYS A 36 8.334 -1.811 7.928 1.00 72.35 O ATOM 567 CB LYS A 36 9.799 -0.622 5.364 1.00 10.21 C ATOM 568 CG LYS A 36 10.690 0.477 5.942 1.00 54.03 C ATOM 569 CD LYS A 36 11.894 0.772 5.046 1.00 32.14 C ATOM 570 CE LYS A 36 12.721 -0.473 4.743 1.00 14.25 C ATOM 571 NZ LYS A 36 13.909 -0.153 3.903 1.00 70.24 N ATOM 0 H LYS A 36 8.328 1.305 4.940 1.00 32.35 H new ATOM 0 HA LYS A 36 7.807 -1.435 5.442 1.00 62.51 H new ATOM 0 HB2 LYS A 36 10.229 -1.592 5.615 1.00 10.21 H new ATOM 0 HB3 LYS A 36 9.804 -0.543 4.277 1.00 10.21 H new ATOM 0 HG2 LYS A 36 10.104 1.387 6.072 1.00 54.03 H new ATOM 0 HG3 LYS A 36 11.039 0.178 6.930 1.00 54.03 H new ATOM 0 HD2 LYS A 36 11.547 1.209 4.110 1.00 32.14 H new ATOM 0 HD3 LYS A 36 12.528 1.516 5.529 1.00 32.14 H new ATOM 0 HE2 LYS A 36 13.048 -0.929 5.677 1.00 14.25 H new ATOM 0 HE3 LYS A 36 12.100 -1.207 4.230 1.00 14.25 H new ATOM 0 HZ1 LYS A 36 14.147 -0.974 3.311 1.00 70.24 H new ATOM 0 HZ2 LYS A 36 13.694 0.662 3.294 1.00 70.24 H new ATOM 0 HZ3 LYS A 36 14.716 0.077 4.517 1.00 70.24 H new ATOM 585 N ALA A 37 8.138 0.435 8.061 1.00 32.23 N ATOM 586 CA ALA A 37 8.029 0.464 9.521 1.00 62.33 C ATOM 587 C ALA A 37 6.586 0.228 9.980 1.00 2.11 C ATOM 588 O ALA A 37 6.339 -0.096 11.142 1.00 32.20 O ATOM 589 CB ALA A 37 8.548 1.791 10.067 1.00 64.31 C ATOM 0 H ALA A 37 8.100 1.354 7.621 1.00 32.23 H new ATOM 0 HA ALA A 37 8.642 -0.346 9.916 1.00 62.33 H new ATOM 0 HB1 ALA A 37 8.460 1.797 11.153 1.00 64.31 H new ATOM 0 HB2 ALA A 37 9.594 1.916 9.787 1.00 64.31 H new ATOM 0 HB3 ALA A 37 7.961 2.610 9.651 1.00 64.31 H new ATOM 595 N ARG A 38 5.632 0.421 9.070 1.00 1.04 N ATOM 596 CA ARG A 38 4.208 0.244 9.386 1.00 44.15 C ATOM 597 C ARG A 38 3.614 -0.930 8.611 1.00 2.53 C ATOM 598 O ARG A 38 2.432 -1.254 8.766 1.00 65.11 O ATOM 599 CB ARG A 38 3.432 1.530 9.073 1.00 70.04 C ATOM 600 CG ARG A 38 3.874 2.749 9.888 1.00 2.15 C ATOM 601 CD ARG A 38 3.364 2.712 11.331 1.00 43.03 C ATOM 602 NE ARG A 38 3.932 1.617 12.125 1.00 55.51 N ATOM 603 CZ ARG A 38 3.684 1.429 13.425 1.00 33.31 C ATOM 604 NH1 ARG A 38 2.931 2.293 14.101 1.00 23.51 N ATOM 605 NH2 ARG A 38 4.206 0.389 14.056 1.00 11.45 N ATOM 0 H ARG A 38 5.816 0.700 8.106 1.00 1.04 H new ATOM 0 HA ARG A 38 4.123 0.026 10.451 1.00 44.15 H new ATOM 0 HB2 ARG A 38 3.542 1.758 8.013 1.00 70.04 H new ATOM 0 HB3 ARG A 38 2.372 1.353 9.253 1.00 70.04 H new ATOM 0 HG2 ARG A 38 4.963 2.802 9.893 1.00 2.15 H new ATOM 0 HG3 ARG A 38 3.513 3.656 9.403 1.00 2.15 H new ATOM 0 HD2 ARG A 38 3.598 3.660 11.815 1.00 43.03 H new ATOM 0 HD3 ARG A 38 2.278 2.618 11.322 1.00 43.03 H new ATOM 0 HE ARG A 38 4.554 0.959 11.656 1.00 55.51 H new ATOM 0 HH11 ARG A 38 2.538 3.106 13.627 1.00 23.51 H new ATOM 0 HH12 ARG A 38 2.747 2.142 15.093 1.00 23.51 H new ATOM 0 HH21 ARG A 38 4.798 -0.270 13.550 1.00 11.45 H new ATOM 0 HH22 ARG A 38 4.016 0.246 15.048 1.00 11.45 H new ATOM 619 N TYR A 39 4.431 -1.559 7.771 1.00 50.22 N ATOM 620 CA TYR A 39 3.993 -2.712 6.996 1.00 71.35 C ATOM 621 C TYR A 39 3.719 -3.887 7.922 1.00 40.41 C ATOM 622 O TYR A 39 4.627 -4.402 8.573 1.00 45.52 O ATOM 623 CB TYR A 39 5.042 -3.105 5.941 1.00 44.03 C ATOM 624 CG TYR A 39 4.617 -4.280 5.072 1.00 0.10 C ATOM 625 CD1 TYR A 39 3.710 -4.105 4.031 1.00 25.55 C ATOM 626 CD2 TYR A 39 5.110 -5.565 5.301 1.00 30.32 C ATOM 627 CE1 TYR A 39 3.309 -5.166 3.242 1.00 31.13 C ATOM 628 CE2 TYR A 39 4.710 -6.633 4.516 1.00 65.22 C ATOM 629 CZ TYR A 39 3.810 -6.428 3.490 1.00 13.44 C ATOM 630 OH TYR A 39 3.406 -7.488 2.708 1.00 50.43 O ATOM 0 H TYR A 39 5.401 -1.288 7.611 1.00 50.22 H new ATOM 0 HA TYR A 39 3.075 -2.441 6.475 1.00 71.35 H new ATOM 0 HB2 TYR A 39 5.244 -2.245 5.302 1.00 44.03 H new ATOM 0 HB3 TYR A 39 5.976 -3.354 6.444 1.00 44.03 H new ATOM 0 HD1 TYR A 39 3.312 -3.120 3.836 1.00 25.55 H new ATOM 0 HD2 TYR A 39 5.814 -5.729 6.103 1.00 30.32 H new ATOM 0 HE1 TYR A 39 2.608 -5.009 2.436 1.00 31.13 H new ATOM 0 HE2 TYR A 39 5.100 -7.622 4.706 1.00 65.22 H new ATOM 0 HH TYR A 39 3.851 -8.307 3.011 1.00 50.43 H new ATOM 640 N SER A 40 2.461 -4.291 7.993 1.00 63.53 N ATOM 641 CA SER A 40 2.062 -5.418 8.818 1.00 34.04 C ATOM 642 C SER A 40 2.163 -6.712 8.012 1.00 13.52 C ATOM 643 O SER A 40 1.716 -6.769 6.864 1.00 24.34 O ATOM 644 CB SER A 40 0.634 -5.193 9.323 1.00 13.24 C ATOM 645 OG SER A 40 0.510 -3.903 9.909 1.00 34.24 O ATOM 0 H SER A 40 1.694 -3.851 7.485 1.00 63.53 H new ATOM 0 HA SER A 40 2.726 -5.503 9.678 1.00 34.04 H new ATOM 0 HB2 SER A 40 -0.070 -5.293 8.497 1.00 13.24 H new ATOM 0 HB3 SER A 40 0.376 -5.958 10.056 1.00 13.24 H new ATOM 0 HG SER A 40 -0.409 -3.774 10.225 1.00 34.24 H new ATOM 651 N ASP A 41 2.752 -7.742 8.616 1.00 74.13 N ATOM 652 CA ASP A 41 2.978 -9.025 7.947 1.00 44.45 C ATOM 653 C ASP A 41 1.660 -9.632 7.475 1.00 74.31 C ATOM 654 O ASP A 41 1.615 -10.337 6.468 1.00 72.41 O ATOM 655 CB ASP A 41 3.693 -10.003 8.894 1.00 65.10 C ATOM 656 CG ASP A 41 5.055 -9.494 9.344 1.00 34.42 C ATOM 657 OD1 ASP A 41 5.109 -8.713 10.320 1.00 22.42 O ATOM 658 OD2 ASP A 41 6.077 -9.861 8.725 1.00 52.25 O ATOM 0 H ASP A 41 3.086 -7.713 9.579 1.00 74.13 H new ATOM 0 HA ASP A 41 3.609 -8.845 7.076 1.00 44.45 H new ATOM 0 HB2 ASP A 41 3.067 -10.178 9.769 1.00 65.10 H new ATOM 0 HB3 ASP A 41 3.816 -10.963 8.393 1.00 65.10 H new ATOM 663 N ILE A 42 0.588 -9.343 8.210 1.00 73.44 N ATOM 664 CA ILE A 42 -0.745 -9.845 7.873 1.00 43.04 C ATOM 665 C ILE A 42 -1.178 -9.385 6.473 1.00 44.44 C ATOM 666 O ILE A 42 -1.938 -10.073 5.783 1.00 62.33 O ATOM 667 CB ILE A 42 -1.795 -9.386 8.924 1.00 55.00 C ATOM 668 CG1 ILE A 42 -3.182 -9.976 8.617 1.00 3.14 C ATOM 669 CG2 ILE A 42 -1.865 -7.861 8.986 1.00 25.24 C ATOM 670 CD1 ILE A 42 -3.224 -11.489 8.648 1.00 64.51 C ATOM 0 H ILE A 42 0.616 -8.761 9.047 1.00 73.44 H new ATOM 0 HA ILE A 42 -0.691 -10.934 7.879 1.00 43.04 H new ATOM 0 HB ILE A 42 -1.477 -9.759 9.898 1.00 55.00 H new ATOM 0 HG12 ILE A 42 -3.900 -9.587 9.339 1.00 3.14 H new ATOM 0 HG13 ILE A 42 -3.502 -9.633 7.633 1.00 3.14 H new ATOM 0 HG21 ILE A 42 -2.606 -7.561 9.727 1.00 25.24 H new ATOM 0 HG22 ILE A 42 -0.890 -7.463 9.266 1.00 25.24 H new ATOM 0 HG23 ILE A 42 -2.150 -7.470 8.009 1.00 25.24 H new ATOM 0 HD11 ILE A 42 -4.234 -11.830 8.422 1.00 64.51 H new ATOM 0 HD12 ILE A 42 -2.532 -11.887 7.906 1.00 64.51 H new ATOM 0 HD13 ILE A 42 -2.936 -11.841 9.639 1.00 64.51 H new ATOM 682 N LEU A 43 -0.661 -8.236 6.049 1.00 10.21 N ATOM 683 CA LEU A 43 -1.053 -7.628 4.778 1.00 61.13 C ATOM 684 C LEU A 43 -0.509 -8.415 3.582 1.00 60.01 C ATOM 685 O LEU A 43 -0.970 -8.235 2.450 1.00 34.13 O ATOM 686 CB LEU A 43 -0.570 -6.174 4.718 1.00 11.34 C ATOM 687 CG LEU A 43 -1.144 -5.242 5.798 1.00 62.50 C ATOM 688 CD1 LEU A 43 -0.525 -3.852 5.690 1.00 42.02 C ATOM 689 CD2 LEU A 43 -2.666 -5.165 5.696 1.00 60.30 C ATOM 0 H LEU A 43 0.035 -7.703 6.570 1.00 10.21 H new ATOM 0 HA LEU A 43 -2.141 -7.650 4.721 1.00 61.13 H new ATOM 0 HB2 LEU A 43 0.517 -6.167 4.797 1.00 11.34 H new ATOM 0 HB3 LEU A 43 -0.821 -5.766 3.739 1.00 11.34 H new ATOM 0 HG LEU A 43 -0.891 -5.655 6.774 1.00 62.50 H new ATOM 0 HD11 LEU A 43 -0.943 -3.206 6.462 1.00 42.02 H new ATOM 0 HD12 LEU A 43 0.555 -3.923 5.822 1.00 42.02 H new ATOM 0 HD13 LEU A 43 -0.743 -3.432 4.708 1.00 42.02 H new ATOM 0 HD21 LEU A 43 -3.049 -4.500 6.470 1.00 60.30 H new ATOM 0 HD22 LEU A 43 -2.946 -4.780 4.715 1.00 60.30 H new ATOM 0 HD23 LEU A 43 -3.090 -6.160 5.830 1.00 60.30 H new ATOM 701 N ASN A 44 0.458 -9.296 3.841 1.00 10.13 N ATOM 702 CA ASN A 44 1.073 -10.116 2.791 1.00 41.13 C ATOM 703 C ASN A 44 0.026 -11.001 2.108 1.00 21.40 C ATOM 704 O ASN A 44 0.202 -11.431 0.967 1.00 73.31 O ATOM 705 CB ASN A 44 2.198 -10.981 3.383 1.00 73.04 C ATOM 706 CG ASN A 44 2.876 -11.862 2.348 1.00 22.10 C ATOM 707 OD1 ASN A 44 3.833 -11.448 1.696 1.00 5.12 O ATOM 708 ND2 ASN A 44 2.388 -13.085 2.188 1.00 24.15 N ATOM 0 H ASN A 44 0.836 -9.462 4.774 1.00 10.13 H new ATOM 0 HA ASN A 44 1.498 -9.449 2.041 1.00 41.13 H new ATOM 0 HB2 ASN A 44 2.943 -10.333 3.844 1.00 73.04 H new ATOM 0 HB3 ASN A 44 1.788 -11.609 4.174 1.00 73.04 H new ATOM 0 HD21 ASN A 44 2.808 -13.717 1.506 1.00 24.15 H new ATOM 0 HD22 ASN A 44 1.593 -13.394 2.747 1.00 24.15 H new ATOM 715 N LYS A 45 -1.069 -11.261 2.821 1.00 71.11 N ATOM 716 CA LYS A 45 -2.178 -12.050 2.290 1.00 62.33 C ATOM 717 C LYS A 45 -2.790 -11.376 1.062 1.00 54.41 C ATOM 718 O LYS A 45 -3.198 -12.040 0.108 1.00 22.11 O ATOM 719 CB LYS A 45 -3.264 -12.212 3.366 1.00 72.45 C ATOM 720 CG LYS A 45 -4.525 -12.908 2.865 1.00 43.31 C ATOM 721 CD LYS A 45 -5.677 -12.797 3.857 1.00 12.41 C ATOM 722 CE LYS A 45 -5.360 -13.471 5.184 1.00 22.02 C ATOM 723 NZ LYS A 45 -6.514 -13.422 6.118 1.00 11.23 N ATOM 0 H LYS A 45 -1.211 -10.933 3.776 1.00 71.11 H new ATOM 0 HA LYS A 45 -1.790 -13.027 2.000 1.00 62.33 H new ATOM 0 HB2 LYS A 45 -2.854 -12.780 4.201 1.00 72.45 H new ATOM 0 HB3 LYS A 45 -3.531 -11.228 3.751 1.00 72.45 H new ATOM 0 HG2 LYS A 45 -4.825 -12.471 1.912 1.00 43.31 H new ATOM 0 HG3 LYS A 45 -4.308 -13.960 2.679 1.00 43.31 H new ATOM 0 HD2 LYS A 45 -5.904 -11.745 4.031 1.00 12.41 H new ATOM 0 HD3 LYS A 45 -6.570 -13.249 3.426 1.00 12.41 H new ATOM 0 HE2 LYS A 45 -5.080 -14.509 5.006 1.00 22.02 H new ATOM 0 HE3 LYS A 45 -4.500 -12.983 5.643 1.00 22.02 H new ATOM 0 HZ1 LYS A 45 -6.259 -13.891 7.010 1.00 11.23 H new ATOM 0 HZ2 LYS A 45 -6.765 -12.431 6.308 1.00 11.23 H new ATOM 0 HZ3 LYS A 45 -7.327 -13.910 5.691 1.00 11.23 H new ATOM 737 N TYR A 46 -2.845 -10.053 1.101 1.00 13.13 N ATOM 738 CA TYR A 46 -3.590 -9.281 0.114 1.00 44.52 C ATOM 739 C TYR A 46 -2.764 -9.024 -1.142 1.00 32.31 C ATOM 740 O TYR A 46 -3.295 -9.043 -2.252 1.00 52.52 O ATOM 741 CB TYR A 46 -4.046 -7.958 0.738 1.00 54.35 C ATOM 742 CG TYR A 46 -4.862 -8.144 2.005 1.00 32.44 C ATOM 743 CD1 TYR A 46 -6.234 -8.355 1.953 1.00 42.55 C ATOM 744 CD2 TYR A 46 -4.254 -8.116 3.257 1.00 50.42 C ATOM 745 CE1 TYR A 46 -6.977 -8.533 3.107 1.00 63.01 C ATOM 746 CE2 TYR A 46 -4.988 -8.291 4.415 1.00 73.33 C ATOM 747 CZ TYR A 46 -6.347 -8.500 4.336 1.00 72.10 C ATOM 748 OH TYR A 46 -7.079 -8.679 5.490 1.00 74.35 O ATOM 0 H TYR A 46 -2.379 -9.487 1.810 1.00 13.13 H new ATOM 0 HA TYR A 46 -4.462 -9.861 -0.187 1.00 44.52 H new ATOM 0 HB2 TYR A 46 -3.170 -7.349 0.964 1.00 54.35 H new ATOM 0 HB3 TYR A 46 -4.639 -7.405 0.009 1.00 54.35 H new ATOM 0 HD1 TYR A 46 -6.730 -8.381 0.994 1.00 42.55 H new ATOM 0 HD2 TYR A 46 -3.188 -7.954 3.325 1.00 50.42 H new ATOM 0 HE1 TYR A 46 -8.043 -8.697 3.047 1.00 63.01 H new ATOM 0 HE2 TYR A 46 -4.498 -8.264 5.377 1.00 73.33 H new ATOM 0 HH TYR A 46 -6.483 -8.628 6.266 1.00 74.35 H new ATOM 758 N ASP A 47 -1.469 -8.772 -0.954 1.00 0.13 N ATOM 759 CA ASP A 47 -0.542 -8.493 -2.064 1.00 41.04 C ATOM 760 C ASP A 47 -0.848 -7.148 -2.745 1.00 53.13 C ATOM 761 O ASP A 47 -0.182 -6.764 -3.711 1.00 4.44 O ATOM 762 CB ASP A 47 -0.543 -9.638 -3.097 1.00 21.32 C ATOM 763 CG ASP A 47 0.261 -10.852 -2.639 1.00 13.23 C ATOM 764 OD1 ASP A 47 1.479 -10.707 -2.385 1.00 52.21 O ATOM 765 OD2 ASP A 47 -0.318 -11.958 -2.539 1.00 23.43 O ATOM 0 H ASP A 47 -1.029 -8.754 -0.034 1.00 0.13 H new ATOM 0 HA ASP A 47 0.456 -8.424 -1.632 1.00 41.04 H new ATOM 0 HB2 ASP A 47 -1.571 -9.942 -3.293 1.00 21.32 H new ATOM 0 HB3 ASP A 47 -0.134 -9.272 -4.038 1.00 21.32 H new ATOM 770 N TYR A 48 -1.852 -6.440 -2.234 1.00 32.23 N ATOM 771 CA TYR A 48 -2.150 -5.070 -2.649 1.00 1.31 C ATOM 772 C TYR A 48 -2.277 -4.205 -1.405 1.00 62.43 C ATOM 773 O TYR A 48 -3.171 -4.418 -0.582 1.00 65.15 O ATOM 774 CB TYR A 48 -3.444 -5.006 -3.476 1.00 75.10 C ATOM 775 CG TYR A 48 -3.304 -5.553 -4.882 1.00 1.40 C ATOM 776 CD1 TYR A 48 -3.419 -6.914 -5.140 1.00 3.42 C ATOM 777 CD2 TYR A 48 -3.051 -4.702 -5.952 1.00 52.14 C ATOM 778 CE1 TYR A 48 -3.286 -7.409 -6.423 1.00 51.12 C ATOM 779 CE2 TYR A 48 -2.915 -5.190 -7.235 1.00 13.12 C ATOM 780 CZ TYR A 48 -3.033 -6.543 -7.466 1.00 35.13 C ATOM 781 OH TYR A 48 -2.893 -7.033 -8.745 1.00 73.12 O ATOM 0 H TYR A 48 -2.484 -6.800 -1.519 1.00 32.23 H new ATOM 0 HA TYR A 48 -1.341 -4.704 -3.281 1.00 1.31 H new ATOM 0 HB2 TYR A 48 -4.223 -5.563 -2.956 1.00 75.10 H new ATOM 0 HB3 TYR A 48 -3.777 -3.969 -3.532 1.00 75.10 H new ATOM 0 HD1 TYR A 48 -3.615 -7.595 -4.325 1.00 3.42 H new ATOM 0 HD2 TYR A 48 -2.959 -3.640 -5.776 1.00 52.14 H new ATOM 0 HE1 TYR A 48 -3.380 -8.469 -6.608 1.00 51.12 H new ATOM 0 HE2 TYR A 48 -2.717 -4.515 -8.054 1.00 13.12 H new ATOM 0 HH TYR A 48 -2.719 -6.292 -9.362 1.00 73.12 H new ATOM 791 N ILE A 49 -1.370 -3.244 -1.265 1.00 31.34 N ATOM 792 CA ILE A 49 -1.270 -2.441 -0.051 1.00 35.22 C ATOM 793 C ILE A 49 -1.609 -0.984 -0.340 1.00 63.51 C ATOM 794 O ILE A 49 -1.033 -0.374 -1.240 1.00 41.13 O ATOM 795 CB ILE A 49 0.156 -2.512 0.560 1.00 41.12 C ATOM 796 CG1 ILE A 49 0.641 -3.975 0.649 1.00 55.12 C ATOM 797 CG2 ILE A 49 0.180 -1.851 1.939 1.00 10.00 C ATOM 798 CD1 ILE A 49 -0.250 -4.872 1.484 1.00 72.34 C ATOM 0 H ILE A 49 -0.688 -3.001 -1.984 1.00 31.34 H new ATOM 0 HA ILE A 49 -1.984 -2.851 0.664 1.00 35.22 H new ATOM 0 HB ILE A 49 0.837 -1.968 -0.095 1.00 41.12 H new ATOM 0 HG12 ILE A 49 0.710 -4.386 -0.358 1.00 55.12 H new ATOM 0 HG13 ILE A 49 1.647 -3.988 1.068 1.00 55.12 H new ATOM 0 HG21 ILE A 49 1.187 -1.909 2.353 1.00 10.00 H new ATOM 0 HG22 ILE A 49 -0.114 -0.806 1.847 1.00 10.00 H new ATOM 0 HG23 ILE A 49 -0.515 -2.366 2.602 1.00 10.00 H new ATOM 0 HD11 ILE A 49 0.160 -5.882 1.496 1.00 72.34 H new ATOM 0 HD12 ILE A 49 -0.300 -4.488 2.503 1.00 72.34 H new ATOM 0 HD13 ILE A 49 -1.251 -4.892 1.054 1.00 72.34 H new ATOM 810 N VAL A 50 -2.545 -0.437 0.421 1.00 64.33 N ATOM 811 CA VAL A 50 -2.935 0.960 0.296 1.00 61.32 C ATOM 812 C VAL A 50 -2.649 1.689 1.605 1.00 34.12 C ATOM 813 O VAL A 50 -3.092 1.255 2.666 1.00 11.32 O ATOM 814 CB VAL A 50 -4.439 1.091 -0.051 1.00 60.13 C ATOM 815 CG1 VAL A 50 -4.826 2.556 -0.257 1.00 21.44 C ATOM 816 CG2 VAL A 50 -4.782 0.254 -1.283 1.00 2.15 C ATOM 0 H VAL A 50 -3.055 -0.948 1.142 1.00 64.33 H new ATOM 0 HA VAL A 50 -2.356 1.406 -0.513 1.00 61.32 H new ATOM 0 HB VAL A 50 -5.018 0.709 0.790 1.00 60.13 H new ATOM 0 HG11 VAL A 50 -5.887 2.621 -0.500 1.00 21.44 H new ATOM 0 HG12 VAL A 50 -4.627 3.117 0.656 1.00 21.44 H new ATOM 0 HG13 VAL A 50 -4.240 2.976 -1.075 1.00 21.44 H new ATOM 0 HG21 VAL A 50 -5.843 0.359 -1.511 1.00 2.15 H new ATOM 0 HG22 VAL A 50 -4.193 0.599 -2.133 1.00 2.15 H new ATOM 0 HG23 VAL A 50 -4.556 -0.794 -1.086 1.00 2.15 H new ATOM 826 N GLY A 51 -1.884 2.768 1.531 1.00 54.43 N ATOM 827 CA GLY A 51 -1.587 3.549 2.713 1.00 21.24 C ATOM 828 C GLY A 51 -2.142 4.953 2.616 1.00 1.23 C ATOM 829 O GLY A 51 -1.775 5.704 1.709 1.00 24.31 O ATOM 0 H GLY A 51 -1.463 3.117 0.670 1.00 54.43 H new ATOM 0 HA2 GLY A 51 -2.004 3.054 3.590 1.00 21.24 H new ATOM 0 HA3 GLY A 51 -0.507 3.595 2.856 1.00 21.24 H new ATOM 833 N ASP A 52 -3.016 5.304 3.555 1.00 64.31 N ATOM 834 CA ASP A 52 -3.629 6.631 3.607 1.00 2.34 C ATOM 835 C ASP A 52 -3.153 7.374 4.847 1.00 42.14 C ATOM 836 O ASP A 52 -3.016 6.781 5.921 1.00 20.40 O ATOM 837 CB ASP A 52 -5.165 6.527 3.641 1.00 64.33 C ATOM 838 CG ASP A 52 -5.752 5.870 2.402 1.00 75.31 C ATOM 839 OD1 ASP A 52 -5.751 4.622 2.335 1.00 1.21 O ATOM 840 OD2 ASP A 52 -6.235 6.598 1.507 1.00 73.33 O ATOM 0 H ASP A 52 -3.320 4.679 4.301 1.00 64.31 H new ATOM 0 HA ASP A 52 -3.332 7.175 2.711 1.00 2.34 H new ATOM 0 HB2 ASP A 52 -5.464 5.958 4.521 1.00 64.33 H new ATOM 0 HB3 ASP A 52 -5.587 7.526 3.748 1.00 64.33 H new ATOM 845 N TRP A 53 -2.885 8.667 4.701 1.00 10.42 N ATOM 846 CA TRP A 53 -2.522 9.503 5.839 1.00 74.32 C ATOM 847 C TRP A 53 -3.779 10.116 6.463 1.00 31.11 C ATOM 848 O TRP A 53 -4.384 9.522 7.360 1.00 52.32 O ATOM 849 CB TRP A 53 -1.525 10.596 5.423 1.00 51.14 C ATOM 850 CG TRP A 53 -0.166 10.064 5.071 1.00 12.51 C ATOM 851 CD1 TRP A 53 0.206 9.469 3.898 1.00 70.22 C ATOM 852 CD2 TRP A 53 0.999 10.069 5.905 1.00 10.13 C ATOM 853 NE1 TRP A 53 1.531 9.112 3.954 1.00 2.15 N ATOM 854 CE2 TRP A 53 2.038 9.469 5.174 1.00 43.02 C ATOM 855 CE3 TRP A 53 1.262 10.529 7.204 1.00 34.20 C ATOM 856 CZ2 TRP A 53 3.322 9.315 5.694 1.00 1.34 C ATOM 857 CZ3 TRP A 53 2.536 10.373 7.720 1.00 73.30 C ATOM 858 CH2 TRP A 53 3.552 9.770 6.966 1.00 62.11 C ATOM 0 H TRP A 53 -2.912 9.158 3.807 1.00 10.42 H new ATOM 0 HA TRP A 53 -2.033 8.878 6.586 1.00 74.32 H new ATOM 0 HB2 TRP A 53 -1.928 11.137 4.567 1.00 51.14 H new ATOM 0 HB3 TRP A 53 -1.426 11.315 6.236 1.00 51.14 H new ATOM 0 HD1 TRP A 53 -0.445 9.304 3.053 1.00 70.22 H new ATOM 0 HE1 TRP A 53 2.053 8.654 3.207 1.00 2.15 H new ATOM 0 HE3 TRP A 53 0.484 10.996 7.790 1.00 34.20 H new ATOM 0 HZ2 TRP A 53 4.108 8.853 5.115 1.00 1.34 H new ATOM 0 HZ3 TRP A 53 2.751 10.721 8.719 1.00 73.30 H new ATOM 0 HH2 TRP A 53 4.537 9.662 7.396 1.00 62.11 H new ATOM 869 N GLY A 54 -4.192 11.282 5.954 1.00 54.40 N ATOM 870 CA GLY A 54 -5.358 11.974 6.493 1.00 13.14 C ATOM 871 C GLY A 54 -5.144 12.439 7.926 1.00 41.02 C ATOM 872 O GLY A 54 -4.943 13.629 8.183 1.00 75.31 O ATOM 0 H GLY A 54 -3.737 11.760 5.176 1.00 54.40 H new ATOM 0 HA2 GLY A 54 -5.589 12.835 5.865 1.00 13.14 H new ATOM 0 HA3 GLY A 54 -6.222 11.310 6.454 1.00 13.14 H new ATOM 876 N TYR A 55 -5.183 11.495 8.854 1.00 45.01 N ATOM 877 CA TYR A 55 -4.949 11.768 10.267 1.00 0.32 C ATOM 878 C TYR A 55 -3.444 11.701 10.546 1.00 20.00 C ATOM 879 O TYR A 55 -2.660 11.402 9.645 1.00 41.10 O ATOM 880 CB TYR A 55 -5.718 10.739 11.116 1.00 2.35 C ATOM 881 CG TYR A 55 -5.960 11.151 12.561 1.00 60.44 C ATOM 882 CD1 TYR A 55 -6.887 12.142 12.875 1.00 10.01 C ATOM 883 CD2 TYR A 55 -5.276 10.544 13.610 1.00 54.13 C ATOM 884 CE1 TYR A 55 -7.124 12.512 14.188 1.00 63.45 C ATOM 885 CE2 TYR A 55 -5.510 10.906 14.923 1.00 45.15 C ATOM 886 CZ TYR A 55 -6.435 11.891 15.207 1.00 14.24 C ATOM 887 OH TYR A 55 -6.673 12.251 16.517 1.00 2.33 O ATOM 0 H TYR A 55 -5.378 10.515 8.650 1.00 45.01 H new ATOM 0 HA TYR A 55 -5.306 12.764 10.528 1.00 0.32 H new ATOM 0 HB2 TYR A 55 -6.681 10.546 10.643 1.00 2.35 H new ATOM 0 HB3 TYR A 55 -5.166 9.799 11.109 1.00 2.35 H new ATOM 0 HD1 TYR A 55 -7.431 12.631 12.080 1.00 10.01 H new ATOM 0 HD2 TYR A 55 -4.549 9.776 13.394 1.00 54.13 H new ATOM 0 HE1 TYR A 55 -7.845 13.284 14.412 1.00 63.45 H new ATOM 0 HE2 TYR A 55 -4.972 10.421 15.724 1.00 45.15 H new ATOM 0 HH TYR A 55 -6.106 11.717 17.111 1.00 2.33 H new ATOM 897 N GLY A 56 -3.039 11.965 11.787 1.00 51.14 N ATOM 898 CA GLY A 56 -1.626 11.939 12.140 1.00 20.20 C ATOM 899 C GLY A 56 -1.044 10.534 12.243 1.00 34.31 C ATOM 900 O GLY A 56 -0.085 10.310 12.983 1.00 12.45 O ATOM 0 H GLY A 56 -3.666 12.197 12.557 1.00 51.14 H new ATOM 0 HA2 GLY A 56 -1.064 12.501 11.394 1.00 20.20 H new ATOM 0 HA3 GLY A 56 -1.490 12.450 13.093 1.00 20.20 H new ATOM 904 N GLN A 57 -1.613 9.589 11.496 1.00 22.13 N ATOM 905 CA GLN A 57 -1.151 8.202 11.489 1.00 70.51 C ATOM 906 C GLN A 57 -1.296 7.622 10.084 1.00 14.40 C ATOM 907 O GLN A 57 -2.258 7.931 9.380 1.00 53.44 O ATOM 908 CB GLN A 57 -1.961 7.347 12.480 1.00 15.35 C ATOM 909 CG GLN A 57 -1.763 7.720 13.947 1.00 63.33 C ATOM 910 CD GLN A 57 -2.528 6.810 14.896 1.00 34.23 C ATOM 911 OE1 GLN A 57 -3.594 6.289 14.560 1.00 70.35 O ATOM 912 NE2 GLN A 57 -1.990 6.609 16.093 1.00 32.41 N ATOM 0 H GLN A 57 -2.406 9.763 10.879 1.00 22.13 H new ATOM 0 HA GLN A 57 -0.104 8.187 11.792 1.00 70.51 H new ATOM 0 HB2 GLN A 57 -3.020 7.435 12.236 1.00 15.35 H new ATOM 0 HB3 GLN A 57 -1.689 6.300 12.344 1.00 15.35 H new ATOM 0 HG2 GLN A 57 -0.701 7.677 14.188 1.00 63.33 H new ATOM 0 HG3 GLN A 57 -2.084 8.750 14.102 1.00 63.33 H new ATOM 0 HE21 GLN A 57 -1.106 7.057 16.337 1.00 32.41 H new ATOM 0 HE22 GLN A 57 -2.460 6.007 16.769 1.00 32.41 H new ATOM 921 N LEU A 58 -0.343 6.787 9.682 1.00 22.51 N ATOM 922 CA LEU A 58 -0.386 6.147 8.371 1.00 35.50 C ATOM 923 C LEU A 58 -1.168 4.832 8.474 1.00 74.53 C ATOM 924 O LEU A 58 -0.732 3.890 9.144 1.00 4.44 O ATOM 925 CB LEU A 58 1.044 5.892 7.849 1.00 15.20 C ATOM 926 CG LEU A 58 1.237 6.007 6.321 1.00 73.02 C ATOM 927 CD1 LEU A 58 2.664 5.628 5.925 1.00 4.54 C ATOM 928 CD2 LEU A 58 0.221 5.153 5.562 1.00 21.21 C ATOM 0 H LEU A 58 0.470 6.537 10.246 1.00 22.51 H new ATOM 0 HA LEU A 58 -0.889 6.806 7.663 1.00 35.50 H new ATOM 0 HB2 LEU A 58 1.718 6.598 8.335 1.00 15.20 H new ATOM 0 HB3 LEU A 58 1.350 4.893 8.160 1.00 15.20 H new ATOM 0 HG LEU A 58 1.067 7.048 6.045 1.00 73.02 H new ATOM 0 HD11 LEU A 58 2.777 5.716 4.844 1.00 4.54 H new ATOM 0 HD12 LEU A 58 3.369 6.297 6.420 1.00 4.54 H new ATOM 0 HD13 LEU A 58 2.865 4.601 6.228 1.00 4.54 H new ATOM 0 HD21 LEU A 58 0.386 5.258 4.490 1.00 21.21 H new ATOM 0 HD22 LEU A 58 0.340 4.108 5.847 1.00 21.21 H new ATOM 0 HD23 LEU A 58 -0.788 5.484 5.808 1.00 21.21 H new ATOM 940 N ARG A 59 -2.326 4.780 7.825 1.00 21.35 N ATOM 941 CA ARG A 59 -3.167 3.585 7.835 1.00 73.41 C ATOM 942 C ARG A 59 -2.867 2.724 6.606 1.00 54.25 C ATOM 943 O ARG A 59 -2.873 3.224 5.486 1.00 32.23 O ATOM 944 CB ARG A 59 -4.651 3.993 7.841 1.00 33.35 C ATOM 945 CG ARG A 59 -5.632 2.826 7.951 1.00 21.12 C ATOM 946 CD ARG A 59 -5.578 2.158 9.322 1.00 70.25 C ATOM 947 NE ARG A 59 -5.876 3.099 10.410 1.00 40.44 N ATOM 948 CZ ARG A 59 -7.071 3.224 11.000 1.00 51.20 C ATOM 949 NH1 ARG A 59 -8.099 2.467 10.625 1.00 65.23 N ATOM 950 NH2 ARG A 59 -7.232 4.109 11.976 1.00 50.41 N ATOM 0 H ARG A 59 -2.707 5.555 7.282 1.00 21.35 H new ATOM 0 HA ARG A 59 -2.952 3.006 8.733 1.00 73.41 H new ATOM 0 HB2 ARG A 59 -4.823 4.675 8.674 1.00 33.35 H new ATOM 0 HB3 ARG A 59 -4.866 4.546 6.927 1.00 33.35 H new ATOM 0 HG2 ARG A 59 -6.644 3.185 7.763 1.00 21.12 H new ATOM 0 HG3 ARG A 59 -5.406 2.089 7.180 1.00 21.12 H new ATOM 0 HD2 ARG A 59 -6.291 1.334 9.351 1.00 70.25 H new ATOM 0 HD3 ARG A 59 -4.588 1.729 9.476 1.00 70.25 H new ATOM 0 HE ARG A 59 -5.120 3.699 10.739 1.00 40.44 H new ATOM 0 HH11 ARG A 59 -7.982 1.781 9.879 1.00 65.23 H new ATOM 0 HH12 ARG A 59 -9.004 2.573 11.083 1.00 65.23 H new ATOM 0 HH21 ARG A 59 -6.447 4.689 12.273 1.00 50.41 H new ATOM 0 HH22 ARG A 59 -8.140 4.209 12.429 1.00 50.41 H new ATOM 964 N LEU A 60 -2.594 1.435 6.821 1.00 15.24 N ATOM 965 CA LEU A 60 -2.347 0.505 5.717 1.00 25.31 C ATOM 966 C LEU A 60 -3.481 -0.512 5.619 1.00 14.22 C ATOM 967 O LEU A 60 -3.692 -1.316 6.530 1.00 11.12 O ATOM 968 CB LEU A 60 -0.996 -0.219 5.878 1.00 40.45 C ATOM 969 CG LEU A 60 0.254 0.615 5.535 1.00 70.12 C ATOM 970 CD1 LEU A 60 0.493 1.704 6.575 1.00 54.11 C ATOM 971 CD2 LEU A 60 1.483 -0.285 5.398 1.00 60.32 C ATOM 0 H LEU A 60 -2.538 1.012 7.748 1.00 15.24 H new ATOM 0 HA LEU A 60 -2.306 1.086 4.796 1.00 25.31 H new ATOM 0 HB2 LEU A 60 -0.909 -0.563 6.909 1.00 40.45 H new ATOM 0 HB3 LEU A 60 -1.003 -1.107 5.246 1.00 40.45 H new ATOM 0 HG LEU A 60 0.078 1.103 4.576 1.00 70.12 H new ATOM 0 HD11 LEU A 60 1.381 2.275 6.306 1.00 54.11 H new ATOM 0 HD12 LEU A 60 -0.370 2.369 6.610 1.00 54.11 H new ATOM 0 HD13 LEU A 60 0.638 1.247 7.554 1.00 54.11 H new ATOM 0 HD21 LEU A 60 2.354 0.323 5.156 1.00 60.32 H new ATOM 0 HD22 LEU A 60 1.657 -0.809 6.338 1.00 60.32 H new ATOM 0 HD23 LEU A 60 1.315 -1.011 4.603 1.00 60.32 H new ATOM 983 N LYS A 61 -4.204 -0.457 4.512 1.00 4.15 N ATOM 984 CA LYS A 61 -5.323 -1.353 4.245 1.00 11.14 C ATOM 985 C LYS A 61 -4.954 -2.310 3.111 1.00 30.44 C ATOM 986 O LYS A 61 -4.328 -1.901 2.131 1.00 11.51 O ATOM 987 CB LYS A 61 -6.557 -0.524 3.866 1.00 73.22 C ATOM 988 CG LYS A 61 -7.794 -1.344 3.511 1.00 45.32 C ATOM 989 CD LYS A 61 -8.342 -2.117 4.705 1.00 51.33 C ATOM 990 CE LYS A 61 -9.669 -2.790 4.371 1.00 3.03 C ATOM 991 NZ LYS A 61 -10.229 -3.540 5.526 1.00 30.11 N ATOM 0 H LYS A 61 -4.031 0.216 3.765 1.00 4.15 H new ATOM 0 HA LYS A 61 -5.549 -1.938 5.136 1.00 11.14 H new ATOM 0 HB2 LYS A 61 -6.803 0.137 4.697 1.00 73.22 H new ATOM 0 HB3 LYS A 61 -6.304 0.112 3.017 1.00 73.22 H new ATOM 0 HG2 LYS A 61 -8.568 -0.680 3.125 1.00 45.32 H new ATOM 0 HG3 LYS A 61 -7.546 -2.043 2.712 1.00 45.32 H new ATOM 0 HD2 LYS A 61 -7.618 -2.871 5.016 1.00 51.33 H new ATOM 0 HD3 LYS A 61 -8.478 -1.439 5.548 1.00 51.33 H new ATOM 0 HE2 LYS A 61 -10.386 -2.035 4.049 1.00 3.03 H new ATOM 0 HE3 LYS A 61 -9.527 -3.472 3.533 1.00 3.03 H new ATOM 0 HZ1 LYS A 61 -11.130 -3.980 5.250 1.00 30.11 H new ATOM 0 HZ2 LYS A 61 -9.558 -4.279 5.818 1.00 30.11 H new ATOM 0 HZ3 LYS A 61 -10.391 -2.887 6.319 1.00 30.11 H new ATOM 1005 N GLY A 62 -5.327 -3.577 3.249 1.00 74.12 N ATOM 1006 CA GLY A 62 -5.020 -4.558 2.223 1.00 14.13 C ATOM 1007 C GLY A 62 -6.235 -4.922 1.392 1.00 54.23 C ATOM 1008 O GLY A 62 -7.344 -5.028 1.921 1.00 3.14 O ATOM 0 H GLY A 62 -5.837 -3.943 4.053 1.00 74.12 H new ATOM 0 HA2 GLY A 62 -4.240 -4.166 1.570 1.00 14.13 H new ATOM 0 HA3 GLY A 62 -4.620 -5.457 2.692 1.00 14.13 H new ATOM 1012 N PHE A 63 -6.027 -5.113 0.089 1.00 64.42 N ATOM 1013 CA PHE A 63 -7.099 -5.510 -0.827 1.00 11.33 C ATOM 1014 C PHE A 63 -6.623 -6.609 -1.772 1.00 14.14 C ATOM 1015 O PHE A 63 -5.431 -6.897 -1.852 1.00 25.23 O ATOM 1016 CB PHE A 63 -7.585 -4.313 -1.660 1.00 73.45 C ATOM 1017 CG PHE A 63 -8.247 -3.223 -0.858 1.00 24.01 C ATOM 1018 CD1 PHE A 63 -9.517 -3.408 -0.330 1.00 21.13 C ATOM 1019 CD2 PHE A 63 -7.608 -2.012 -0.645 1.00 53.14 C ATOM 1020 CE1 PHE A 63 -10.132 -2.409 0.395 1.00 35.30 C ATOM 1021 CE2 PHE A 63 -8.218 -1.009 0.079 1.00 73.14 C ATOM 1022 CZ PHE A 63 -9.484 -1.208 0.599 1.00 43.32 C ATOM 0 H PHE A 63 -5.118 -4.998 -0.360 1.00 64.42 H new ATOM 0 HA PHE A 63 -7.924 -5.883 -0.220 1.00 11.33 H new ATOM 0 HB2 PHE A 63 -6.735 -3.889 -2.194 1.00 73.45 H new ATOM 0 HB3 PHE A 63 -8.288 -4.671 -2.412 1.00 73.45 H new ATOM 0 HD1 PHE A 63 -10.030 -4.345 -0.489 1.00 21.13 H new ATOM 0 HD2 PHE A 63 -6.620 -1.852 -1.051 1.00 53.14 H new ATOM 0 HE1 PHE A 63 -11.120 -2.566 0.803 1.00 35.30 H new ATOM 0 HE2 PHE A 63 -7.708 -0.070 0.239 1.00 73.14 H new ATOM 0 HZ PHE A 63 -9.965 -0.424 1.164 1.00 43.32 H new ATOM 1032 N PHE A 64 -7.568 -7.219 -2.477 1.00 44.23 N ATOM 1033 CA PHE A 64 -7.260 -8.194 -3.517 1.00 32.43 C ATOM 1034 C PHE A 64 -7.602 -7.602 -4.879 1.00 54.22 C ATOM 1035 O PHE A 64 -8.428 -6.686 -4.972 1.00 11.44 O ATOM 1036 CB PHE A 64 -8.057 -9.491 -3.300 1.00 23.51 C ATOM 1037 CG PHE A 64 -7.746 -10.201 -2.003 1.00 25.14 C ATOM 1038 CD1 PHE A 64 -6.665 -11.067 -1.911 1.00 21.43 C ATOM 1039 CD2 PHE A 64 -8.543 -10.013 -0.883 1.00 43.03 C ATOM 1040 CE1 PHE A 64 -6.386 -11.725 -0.729 1.00 11.22 C ATOM 1041 CE2 PHE A 64 -8.269 -10.672 0.299 1.00 33.43 C ATOM 1042 CZ PHE A 64 -7.188 -11.528 0.376 1.00 34.41 C ATOM 0 H PHE A 64 -8.566 -7.053 -2.345 1.00 44.23 H new ATOM 0 HA PHE A 64 -6.197 -8.432 -3.473 1.00 32.43 H new ATOM 0 HB2 PHE A 64 -9.122 -9.259 -3.327 1.00 23.51 H new ATOM 0 HB3 PHE A 64 -7.857 -10.170 -4.129 1.00 23.51 H new ATOM 0 HD1 PHE A 64 -6.035 -11.228 -2.773 1.00 21.43 H new ATOM 0 HD2 PHE A 64 -9.388 -9.343 -0.936 1.00 43.03 H new ATOM 0 HE1 PHE A 64 -5.540 -12.394 -0.670 1.00 11.22 H new ATOM 0 HE2 PHE A 64 -8.899 -10.518 1.162 1.00 33.43 H new ATOM 0 HZ PHE A 64 -6.971 -12.043 1.300 1.00 34.41 H new ATOM 1052 N ASP A 65 -6.966 -8.115 -5.931 1.00 34.34 N ATOM 1053 CA ASP A 65 -7.269 -7.689 -7.301 1.00 70.04 C ATOM 1054 C ASP A 65 -8.743 -7.942 -7.620 1.00 65.30 C ATOM 1055 O ASP A 65 -9.370 -8.821 -7.028 1.00 63.44 O ATOM 1056 CB ASP A 65 -6.361 -8.413 -8.314 1.00 61.11 C ATOM 1057 CG ASP A 65 -6.321 -9.925 -8.123 1.00 61.44 C ATOM 1058 OD1 ASP A 65 -7.296 -10.613 -8.490 1.00 64.52 O ATOM 1059 OD2 ASP A 65 -5.307 -10.431 -7.597 1.00 35.01 O ATOM 0 H ASP A 65 -6.238 -8.826 -5.863 1.00 34.34 H new ATOM 0 HA ASP A 65 -7.075 -6.619 -7.380 1.00 70.04 H new ATOM 0 HB2 ASP A 65 -6.707 -8.191 -9.323 1.00 61.11 H new ATOM 0 HB3 ASP A 65 -5.349 -8.017 -8.230 1.00 61.11 H new ATOM 1064 N ASP A 66 -9.298 -7.164 -8.548 1.00 52.12 N ATOM 1065 CA ASP A 66 -10.724 -7.262 -8.875 1.00 43.40 C ATOM 1066 C ASP A 66 -10.936 -7.195 -10.390 1.00 71.30 C ATOM 1067 O ASP A 66 -11.520 -8.101 -10.985 1.00 30.14 O ATOM 1068 CB ASP A 66 -11.507 -6.137 -8.177 1.00 62.03 C ATOM 1069 CG ASP A 66 -12.997 -6.435 -8.068 1.00 1.31 C ATOM 1070 OD1 ASP A 66 -13.738 -6.178 -9.038 1.00 73.31 O ATOM 1071 OD2 ASP A 66 -13.436 -6.918 -7.001 1.00 71.12 O ATOM 0 H ASP A 66 -8.788 -6.463 -9.085 1.00 52.12 H new ATOM 0 HA ASP A 66 -11.095 -8.223 -8.518 1.00 43.40 H new ATOM 0 HB2 ASP A 66 -11.098 -5.981 -7.179 1.00 62.03 H new ATOM 0 HB3 ASP A 66 -11.366 -5.207 -8.728 1.00 62.03 H new ATOM 1076 N GLN A 67 -10.452 -6.116 -11.006 1.00 65.22 N ATOM 1077 CA GLN A 67 -10.527 -5.951 -12.462 1.00 2.20 C ATOM 1078 C GLN A 67 -9.518 -6.867 -13.153 1.00 15.05 C ATOM 1079 O GLN A 67 -9.808 -7.447 -14.205 1.00 33.33 O ATOM 1080 CB GLN A 67 -10.286 -4.478 -12.848 1.00 31.05 C ATOM 1081 CG GLN A 67 -11.490 -3.560 -12.612 1.00 73.02 C ATOM 1082 CD GLN A 67 -12.213 -3.838 -11.304 1.00 15.33 C ATOM 1083 OE1 GLN A 67 -11.871 -3.290 -10.257 1.00 72.33 O ATOM 1084 NE2 GLN A 67 -13.222 -4.691 -11.355 1.00 43.45 N ATOM 0 H GLN A 67 -10.002 -5.340 -10.520 1.00 65.22 H new ATOM 0 HA GLN A 67 -11.526 -6.231 -12.796 1.00 2.20 H new ATOM 0 HB2 GLN A 67 -9.438 -4.099 -12.278 1.00 31.05 H new ATOM 0 HB3 GLN A 67 -10.009 -4.431 -13.901 1.00 31.05 H new ATOM 0 HG2 GLN A 67 -11.154 -2.523 -12.620 1.00 73.02 H new ATOM 0 HG3 GLN A 67 -12.192 -3.674 -13.438 1.00 73.02 H new ATOM 0 HE21 GLN A 67 -13.477 -5.126 -12.241 1.00 43.45 H new ATOM 0 HE22 GLN A 67 -13.745 -4.914 -10.508 1.00 43.45 H new ATOM 1093 N ASN A 68 -8.333 -6.977 -12.551 1.00 2.42 N ATOM 1094 CA ASN A 68 -7.295 -7.916 -12.993 1.00 41.55 C ATOM 1095 C ASN A 68 -6.785 -7.601 -14.399 1.00 61.44 C ATOM 1096 O ASN A 68 -7.226 -6.649 -15.047 1.00 20.11 O ATOM 1097 CB ASN A 68 -7.809 -9.368 -12.938 1.00 35.22 C ATOM 1098 CG ASN A 68 -8.115 -9.834 -11.525 1.00 51.31 C ATOM 1099 OD1 ASN A 68 -8.494 -9.042 -10.664 1.00 44.11 O ATOM 1100 ND2 ASN A 68 -7.956 -11.125 -11.274 1.00 24.13 N ATOM 0 H ASN A 68 -8.063 -6.418 -11.742 1.00 2.42 H new ATOM 0 HA ASN A 68 -6.459 -7.802 -12.303 1.00 41.55 H new ATOM 0 HB2 ASN A 68 -8.710 -9.452 -13.546 1.00 35.22 H new ATOM 0 HB3 ASN A 68 -7.063 -10.029 -13.380 1.00 35.22 H new ATOM 0 HD21 ASN A 68 -8.150 -11.491 -10.342 1.00 24.13 H new ATOM 0 HD22 ASN A 68 -7.640 -11.753 -12.013 1.00 24.13 H new ATOM 1107 N GLN A 69 -5.839 -8.415 -14.858 1.00 61.30 N ATOM 1108 CA GLN A 69 -5.255 -8.262 -16.184 1.00 23.45 C ATOM 1109 C GLN A 69 -6.173 -8.899 -17.226 1.00 61.13 C ATOM 1110 O GLN A 69 -6.046 -10.083 -17.551 1.00 1.14 O ATOM 1111 CB GLN A 69 -3.855 -8.902 -16.216 1.00 12.01 C ATOM 1112 CG GLN A 69 -3.122 -8.751 -17.547 1.00 52.21 C ATOM 1113 CD GLN A 69 -1.724 -9.356 -17.513 1.00 13.45 C ATOM 1114 OE1 GLN A 69 -1.536 -10.537 -17.811 1.00 0.43 O ATOM 1115 NE2 GLN A 69 -0.739 -8.558 -17.135 1.00 24.14 N ATOM 0 H GLN A 69 -5.458 -9.195 -14.323 1.00 61.30 H new ATOM 0 HA GLN A 69 -5.151 -7.203 -16.418 1.00 23.45 H new ATOM 0 HB2 GLN A 69 -3.247 -8.457 -15.428 1.00 12.01 H new ATOM 0 HB3 GLN A 69 -3.949 -9.963 -15.985 1.00 12.01 H new ATOM 0 HG2 GLN A 69 -3.703 -9.230 -18.335 1.00 52.21 H new ATOM 0 HG3 GLN A 69 -3.051 -7.694 -17.802 1.00 52.21 H new ATOM 0 HE21 GLN A 69 -0.934 -7.586 -16.896 1.00 24.14 H new ATOM 0 HE22 GLN A 69 0.215 -8.915 -17.083 1.00 24.14 H new ATOM 1124 N LYS A 70 -7.131 -8.118 -17.713 1.00 21.01 N ATOM 1125 CA LYS A 70 -8.105 -8.597 -18.693 1.00 44.22 C ATOM 1126 C LYS A 70 -8.396 -7.503 -19.719 1.00 60.22 C ATOM 1127 O LYS A 70 -8.434 -7.754 -20.926 1.00 62.44 O ATOM 1128 CB LYS A 70 -9.404 -9.020 -17.982 1.00 42.41 C ATOM 1129 CG LYS A 70 -10.430 -9.688 -18.898 1.00 55.34 C ATOM 1130 CD LYS A 70 -9.934 -11.035 -19.422 1.00 11.44 C ATOM 1131 CE LYS A 70 -10.973 -11.728 -20.296 1.00 15.15 C ATOM 1132 NZ LYS A 70 -10.513 -13.072 -20.741 1.00 11.34 N ATOM 0 H LYS A 70 -7.256 -7.142 -17.444 1.00 21.01 H new ATOM 0 HA LYS A 70 -7.691 -9.462 -19.211 1.00 44.22 H new ATOM 0 HB2 LYS A 70 -9.155 -9.706 -17.172 1.00 42.41 H new ATOM 0 HB3 LYS A 70 -9.859 -8.140 -17.526 1.00 42.41 H new ATOM 0 HG2 LYS A 70 -11.363 -9.832 -18.354 1.00 55.34 H new ATOM 0 HG3 LYS A 70 -10.649 -9.030 -19.739 1.00 55.34 H new ATOM 0 HD2 LYS A 70 -9.019 -10.886 -19.996 1.00 11.44 H new ATOM 0 HD3 LYS A 70 -9.681 -11.680 -18.581 1.00 11.44 H new ATOM 0 HE2 LYS A 70 -11.906 -11.828 -19.741 1.00 15.15 H new ATOM 0 HE3 LYS A 70 -11.185 -11.109 -21.168 1.00 15.15 H new ATOM 0 HZ1 LYS A 70 -11.246 -13.512 -21.333 1.00 11.34 H new ATOM 0 HZ2 LYS A 70 -9.636 -12.974 -21.292 1.00 11.34 H new ATOM 0 HZ3 LYS A 70 -10.334 -13.671 -19.910 1.00 11.34 H new ATOM 1146 N ALA A 71 -8.609 -6.289 -19.225 1.00 74.23 N ATOM 1147 CA ALA A 71 -8.840 -5.128 -20.079 1.00 41.22 C ATOM 1148 C ALA A 71 -7.555 -4.320 -20.245 1.00 40.43 C ATOM 1149 O ALA A 71 -6.489 -4.739 -19.787 1.00 51.25 O ATOM 1150 CB ALA A 71 -9.946 -4.259 -19.495 1.00 31.00 C ATOM 0 H ALA A 71 -8.627 -6.081 -18.227 1.00 74.23 H new ATOM 0 HA ALA A 71 -9.153 -5.476 -21.063 1.00 41.22 H new ATOM 0 HB1 ALA A 71 -10.110 -3.396 -20.140 1.00 31.00 H new ATOM 0 HB2 ALA A 71 -10.866 -4.839 -19.425 1.00 31.00 H new ATOM 0 HB3 ALA A 71 -9.655 -3.919 -18.501 1.00 31.00 H new ATOM 1156 N THR A 72 -7.653 -3.164 -20.898 1.00 45.24 N ATOM 1157 CA THR A 72 -6.501 -2.284 -21.076 1.00 73.03 C ATOM 1158 C THR A 72 -6.088 -1.669 -19.736 1.00 20.40 C ATOM 1159 O THR A 72 -4.971 -1.163 -19.588 1.00 63.44 O ATOM 1160 CB THR A 72 -6.791 -1.165 -22.105 1.00 63.15 C ATOM 1161 OG1 THR A 72 -5.586 -0.445 -22.413 1.00 2.53 O ATOM 1162 CG2 THR A 72 -7.850 -0.193 -21.584 1.00 53.12 C ATOM 0 H THR A 72 -8.518 -2.815 -21.312 1.00 45.24 H new ATOM 0 HA THR A 72 -5.681 -2.890 -21.461 1.00 73.03 H new ATOM 0 HB THR A 72 -7.172 -1.638 -23.010 1.00 63.15 H new ATOM 0 HG1 THR A 72 -4.988 -0.462 -21.637 1.00 2.53 H new ATOM 0 HG21 THR A 72 -8.031 0.581 -22.329 1.00 53.12 H new ATOM 0 HG22 THR A 72 -8.776 -0.734 -21.390 1.00 53.12 H new ATOM 0 HG23 THR A 72 -7.498 0.268 -20.661 1.00 53.12 H new ATOM 1170 N PHE A 73 -7.006 -1.708 -18.771 1.00 32.15 N ATOM 1171 CA PHE A 73 -6.723 -1.265 -17.410 1.00 15.40 C ATOM 1172 C PHE A 73 -6.561 -2.482 -16.502 1.00 72.41 C ATOM 1173 O PHE A 73 -7.440 -3.346 -16.433 1.00 1.14 O ATOM 1174 CB PHE A 73 -7.829 -0.321 -16.891 1.00 35.13 C ATOM 1175 CG PHE A 73 -9.230 -0.890 -16.940 1.00 24.12 C ATOM 1176 CD1 PHE A 73 -9.975 -0.838 -18.111 1.00 52.54 C ATOM 1177 CD2 PHE A 73 -9.806 -1.463 -15.813 1.00 4.33 C ATOM 1178 CE1 PHE A 73 -11.259 -1.347 -18.157 1.00 60.24 C ATOM 1179 CE2 PHE A 73 -11.090 -1.972 -15.856 1.00 53.23 C ATOM 1180 CZ PHE A 73 -11.816 -1.913 -17.028 1.00 63.24 C ATOM 0 H PHE A 73 -7.959 -2.045 -18.910 1.00 32.15 H new ATOM 0 HA PHE A 73 -5.792 -0.699 -17.408 1.00 15.40 H new ATOM 0 HB2 PHE A 73 -7.599 -0.049 -15.861 1.00 35.13 H new ATOM 0 HB3 PHE A 73 -7.806 0.598 -17.476 1.00 35.13 H new ATOM 0 HD1 PHE A 73 -9.545 -0.394 -18.997 1.00 52.54 H new ATOM 0 HD2 PHE A 73 -9.244 -1.511 -14.892 1.00 4.33 H new ATOM 0 HE1 PHE A 73 -11.826 -1.302 -19.075 1.00 60.24 H new ATOM 0 HE2 PHE A 73 -11.525 -2.416 -14.973 1.00 53.23 H new ATOM 0 HZ PHE A 73 -12.820 -2.310 -17.062 1.00 63.24 H new ATOM 1190 N GLU A 74 -5.416 -2.555 -15.839 1.00 72.44 N ATOM 1191 CA GLU A 74 -5.067 -3.683 -14.981 1.00 51.15 C ATOM 1192 C GLU A 74 -5.112 -3.269 -13.514 1.00 22.31 C ATOM 1193 O GLU A 74 -5.834 -3.858 -12.703 1.00 41.52 O ATOM 1194 CB GLU A 74 -3.660 -4.177 -15.340 1.00 54.32 C ATOM 1195 CG GLU A 74 -3.115 -5.263 -14.417 1.00 10.21 C ATOM 1196 CD GLU A 74 -1.629 -5.497 -14.622 1.00 62.33 C ATOM 1197 OE1 GLU A 74 -0.820 -4.709 -14.081 1.00 73.42 O ATOM 1198 OE2 GLU A 74 -1.259 -6.453 -15.333 1.00 20.42 O ATOM 0 H GLU A 74 -4.698 -1.831 -15.880 1.00 72.44 H new ATOM 0 HA GLU A 74 -5.788 -4.486 -15.137 1.00 51.15 H new ATOM 0 HB2 GLU A 74 -3.672 -4.558 -16.361 1.00 54.32 H new ATOM 0 HB3 GLU A 74 -2.976 -3.328 -15.325 1.00 54.32 H new ATOM 0 HG2 GLU A 74 -3.297 -4.981 -13.380 1.00 10.21 H new ATOM 0 HG3 GLU A 74 -3.655 -6.193 -14.594 1.00 10.21 H new ATOM 1205 N THR A 75 -4.335 -2.247 -13.182 1.00 34.10 N ATOM 1206 CA THR A 75 -4.198 -1.797 -11.807 1.00 12.23 C ATOM 1207 C THR A 75 -5.390 -0.940 -11.385 1.00 40.32 C ATOM 1208 O THR A 75 -5.288 0.285 -11.269 1.00 33.22 O ATOM 1209 CB THR A 75 -2.881 -1.016 -11.621 1.00 43.21 C ATOM 1210 OG1 THR A 75 -2.805 0.044 -12.586 1.00 0.43 O ATOM 1211 CG2 THR A 75 -1.674 -1.935 -11.779 1.00 0.10 C ATOM 0 H THR A 75 -3.786 -1.711 -13.854 1.00 34.10 H new ATOM 0 HA THR A 75 -4.174 -2.679 -11.167 1.00 12.23 H new ATOM 0 HB THR A 75 -2.870 -0.600 -10.614 1.00 43.21 H new ATOM 0 HG1 THR A 75 -3.588 0.626 -12.495 1.00 0.43 H new ATOM 0 HG21 THR A 75 -0.758 -1.360 -11.643 1.00 0.10 H new ATOM 0 HG22 THR A 75 -1.719 -2.727 -11.031 1.00 0.10 H new ATOM 0 HG23 THR A 75 -1.681 -2.376 -12.776 1.00 0.10 H new ATOM 1219 N LYS A 76 -6.526 -1.592 -11.190 1.00 25.03 N ATOM 1220 CA LYS A 76 -7.732 -0.933 -10.720 1.00 44.31 C ATOM 1221 C LYS A 76 -8.568 -1.929 -9.925 1.00 23.54 C ATOM 1222 O LYS A 76 -8.768 -3.069 -10.355 1.00 45.33 O ATOM 1223 CB LYS A 76 -8.543 -0.364 -11.899 1.00 73.04 C ATOM 1224 CG LYS A 76 -9.738 0.494 -11.478 1.00 15.02 C ATOM 1225 CD LYS A 76 -9.304 1.726 -10.683 1.00 14.20 C ATOM 1226 CE LYS A 76 -10.490 2.605 -10.294 1.00 4.51 C ATOM 1227 NZ LYS A 76 -11.187 3.166 -11.485 1.00 4.23 N ATOM 0 H LYS A 76 -6.636 -2.593 -11.353 1.00 25.03 H new ATOM 0 HA LYS A 76 -7.455 -0.098 -10.077 1.00 44.31 H new ATOM 0 HB2 LYS A 76 -7.882 0.235 -12.525 1.00 73.04 H new ATOM 0 HB3 LYS A 76 -8.901 -1.191 -12.513 1.00 73.04 H new ATOM 0 HG2 LYS A 76 -10.289 0.809 -12.364 1.00 15.02 H new ATOM 0 HG3 LYS A 76 -10.421 -0.105 -10.875 1.00 15.02 H new ATOM 0 HD2 LYS A 76 -8.777 1.409 -9.783 1.00 14.20 H new ATOM 0 HD3 LYS A 76 -8.600 2.310 -11.276 1.00 14.20 H new ATOM 0 HE2 LYS A 76 -11.196 2.020 -9.704 1.00 4.51 H new ATOM 0 HE3 LYS A 76 -10.143 3.421 -9.660 1.00 4.51 H new ATOM 0 HZ1 LYS A 76 -11.873 3.885 -11.179 1.00 4.23 H new ATOM 0 HZ2 LYS A 76 -10.490 3.602 -12.122 1.00 4.23 H new ATOM 0 HZ3 LYS A 76 -11.685 2.403 -11.987 1.00 4.23 H new ATOM 1241 N ILE A 77 -9.023 -1.508 -8.751 1.00 12.32 N ATOM 1242 CA ILE A 77 -9.834 -2.356 -7.884 1.00 4.52 C ATOM 1243 C ILE A 77 -11.122 -1.627 -7.510 1.00 24.45 C ATOM 1244 O ILE A 77 -11.079 -0.527 -6.955 1.00 2.13 O ATOM 1245 CB ILE A 77 -9.065 -2.756 -6.597 1.00 33.51 C ATOM 1246 CG1 ILE A 77 -7.739 -3.454 -6.953 1.00 74.41 C ATOM 1247 CG2 ILE A 77 -9.927 -3.661 -5.719 1.00 24.22 C ATOM 1248 CD1 ILE A 77 -6.886 -3.805 -5.751 1.00 1.15 C ATOM 0 H ILE A 77 -8.843 -0.577 -8.375 1.00 12.32 H new ATOM 0 HA ILE A 77 -10.071 -3.269 -8.431 1.00 4.52 H new ATOM 0 HB ILE A 77 -8.836 -1.849 -6.038 1.00 33.51 H new ATOM 0 HG12 ILE A 77 -7.958 -4.366 -7.509 1.00 74.41 H new ATOM 0 HG13 ILE A 77 -7.166 -2.806 -7.616 1.00 74.41 H new ATOM 0 HG21 ILE A 77 -9.372 -3.932 -4.821 1.00 24.22 H new ATOM 0 HG22 ILE A 77 -10.838 -3.134 -5.437 1.00 24.22 H new ATOM 0 HG23 ILE A 77 -10.186 -4.564 -6.272 1.00 24.22 H new ATOM 0 HD11 ILE A 77 -5.970 -4.293 -6.085 1.00 1.15 H new ATOM 0 HD12 ILE A 77 -6.634 -2.896 -5.205 1.00 1.15 H new ATOM 0 HD13 ILE A 77 -7.439 -4.479 -5.097 1.00 1.15 H new ATOM 1260 N SER A 78 -12.259 -2.239 -7.826 1.00 22.42 N ATOM 1261 CA SER A 78 -13.568 -1.641 -7.578 1.00 0.23 C ATOM 1262 C SER A 78 -13.706 -1.165 -6.128 1.00 22.21 C ATOM 1263 O SER A 78 -14.083 -0.016 -5.875 1.00 51.34 O ATOM 1264 CB SER A 78 -14.676 -2.650 -7.919 1.00 64.05 C ATOM 1265 OG SER A 78 -15.962 -2.084 -7.735 1.00 2.54 O ATOM 0 H SER A 78 -12.300 -3.161 -8.260 1.00 22.42 H new ATOM 0 HA SER A 78 -13.667 -0.766 -8.220 1.00 0.23 H new ATOM 0 HB2 SER A 78 -14.566 -2.979 -8.952 1.00 64.05 H new ATOM 0 HB3 SER A 78 -14.572 -3.534 -7.290 1.00 64.05 H new ATOM 0 HG SER A 78 -16.647 -2.748 -7.961 1.00 2.54 H new ATOM 1271 N THR A 79 -13.373 -2.039 -5.177 1.00 71.21 N ATOM 1272 CA THR A 79 -13.520 -1.716 -3.760 1.00 63.30 C ATOM 1273 C THR A 79 -12.518 -0.647 -3.324 1.00 13.24 C ATOM 1274 O THR A 79 -12.729 0.029 -2.320 1.00 45.54 O ATOM 1275 CB THR A 79 -13.373 -2.970 -2.858 1.00 32.25 C ATOM 1276 OG1 THR A 79 -13.744 -2.653 -1.505 1.00 54.02 O ATOM 1277 CG2 THR A 79 -11.949 -3.516 -2.881 1.00 31.13 C ATOM 0 H THR A 79 -13.002 -2.971 -5.362 1.00 71.21 H new ATOM 0 HA THR A 79 -14.530 -1.324 -3.637 1.00 63.30 H new ATOM 0 HB THR A 79 -14.038 -3.738 -3.252 1.00 32.25 H new ATOM 0 HG1 THR A 79 -13.486 -1.729 -1.303 1.00 54.02 H new ATOM 0 HG21 THR A 79 -11.885 -4.394 -2.238 1.00 31.13 H new ATOM 0 HG22 THR A 79 -11.682 -3.793 -3.901 1.00 31.13 H new ATOM 0 HG23 THR A 79 -11.260 -2.752 -2.521 1.00 31.13 H new ATOM 1285 N LEU A 80 -11.432 -0.492 -4.082 1.00 3.02 N ATOM 1286 CA LEU A 80 -10.432 0.530 -3.780 1.00 12.31 C ATOM 1287 C LEU A 80 -11.011 1.914 -4.044 1.00 73.14 C ATOM 1288 O LEU A 80 -10.826 2.837 -3.252 1.00 54.21 O ATOM 1289 CB LEU A 80 -9.160 0.323 -4.619 1.00 51.22 C ATOM 1290 CG LEU A 80 -8.100 1.434 -4.497 1.00 3.12 C ATOM 1291 CD1 LEU A 80 -7.630 1.589 -3.053 1.00 41.42 C ATOM 1292 CD2 LEU A 80 -6.916 1.157 -5.424 1.00 1.10 C ATOM 0 H LEU A 80 -11.224 -1.058 -4.905 1.00 3.02 H new ATOM 0 HA LEU A 80 -10.162 0.445 -2.727 1.00 12.31 H new ATOM 0 HB2 LEU A 80 -8.704 -0.624 -4.329 1.00 51.22 H new ATOM 0 HB3 LEU A 80 -9.447 0.232 -5.667 1.00 51.22 H new ATOM 0 HG LEU A 80 -8.562 2.373 -4.802 1.00 3.12 H new ATOM 0 HD11 LEU A 80 -6.882 2.380 -2.997 1.00 41.42 H new ATOM 0 HD12 LEU A 80 -8.479 1.846 -2.420 1.00 41.42 H new ATOM 0 HD13 LEU A 80 -7.193 0.651 -2.710 1.00 41.42 H new ATOM 0 HD21 LEU A 80 -6.180 1.954 -5.322 1.00 1.10 H new ATOM 0 HD22 LEU A 80 -6.459 0.204 -5.156 1.00 1.10 H new ATOM 0 HD23 LEU A 80 -7.264 1.115 -6.456 1.00 1.10 H new ATOM 1304 N ASP A 81 -11.729 2.037 -5.155 1.00 71.24 N ATOM 1305 CA ASP A 81 -12.335 3.308 -5.543 1.00 11.42 C ATOM 1306 C ASP A 81 -13.337 3.753 -4.479 1.00 3.54 C ATOM 1307 O ASP A 81 -13.363 4.919 -4.080 1.00 44.53 O ATOM 1308 CB ASP A 81 -13.023 3.173 -6.908 1.00 51.44 C ATOM 1309 CG ASP A 81 -13.382 4.520 -7.515 1.00 51.24 C ATOM 1310 OD1 ASP A 81 -14.491 5.027 -7.259 1.00 54.21 O ATOM 1311 OD2 ASP A 81 -12.542 5.080 -8.256 1.00 55.24 O ATOM 0 H ASP A 81 -11.907 1.271 -5.805 1.00 71.24 H new ATOM 0 HA ASP A 81 -11.554 4.064 -5.625 1.00 11.42 H new ATOM 0 HB2 ASP A 81 -12.366 2.634 -7.591 1.00 51.44 H new ATOM 0 HB3 ASP A 81 -13.928 2.575 -6.798 1.00 51.44 H new ATOM 1316 N GLU A 82 -14.142 2.800 -4.009 1.00 31.25 N ATOM 1317 CA GLU A 82 -15.093 3.049 -2.928 1.00 23.22 C ATOM 1318 C GLU A 82 -14.346 3.472 -1.662 1.00 22.33 C ATOM 1319 O GLU A 82 -14.663 4.487 -1.045 1.00 62.32 O ATOM 1320 CB GLU A 82 -15.916 1.782 -2.638 1.00 4.14 C ATOM 1321 CG GLU A 82 -16.622 1.197 -3.858 1.00 51.34 C ATOM 1322 CD GLU A 82 -17.641 2.144 -4.469 1.00 74.41 C ATOM 1323 OE1 GLU A 82 -18.712 2.353 -3.856 1.00 32.23 O ATOM 1324 OE2 GLU A 82 -17.382 2.682 -5.567 1.00 23.14 O ATOM 0 H GLU A 82 -14.153 1.843 -4.363 1.00 31.25 H new ATOM 0 HA GLU A 82 -15.767 3.849 -3.236 1.00 23.22 H new ATOM 0 HB2 GLU A 82 -15.256 1.023 -2.216 1.00 4.14 H new ATOM 0 HB3 GLU A 82 -16.662 2.014 -1.878 1.00 4.14 H new ATOM 0 HG2 GLU A 82 -15.878 0.938 -4.611 1.00 51.34 H new ATOM 0 HG3 GLU A 82 -17.121 0.271 -3.572 1.00 51.34 H new ATOM 1331 N TYR A 83 -13.328 2.686 -1.313 1.00 61.45 N ATOM 1332 CA TYR A 83 -12.528 2.897 -0.107 1.00 3.03 C ATOM 1333 C TYR A 83 -11.985 4.328 -0.030 1.00 1.43 C ATOM 1334 O TYR A 83 -12.212 5.035 0.959 1.00 65.10 O ATOM 1335 CB TYR A 83 -11.381 1.877 -0.082 1.00 34.24 C ATOM 1336 CG TYR A 83 -10.331 2.117 0.987 1.00 72.34 C ATOM 1337 CD1 TYR A 83 -10.609 1.907 2.334 1.00 10.51 C ATOM 1338 CD2 TYR A 83 -9.050 2.540 0.643 1.00 23.14 C ATOM 1339 CE1 TYR A 83 -9.644 2.111 3.302 1.00 11.44 C ATOM 1340 CE2 TYR A 83 -8.085 2.746 1.604 1.00 35.13 C ATOM 1341 CZ TYR A 83 -8.385 2.533 2.931 1.00 31.23 C ATOM 1342 OH TYR A 83 -7.416 2.735 3.887 1.00 63.42 O ATOM 0 H TYR A 83 -13.033 1.879 -1.863 1.00 61.45 H new ATOM 0 HA TYR A 83 -13.166 2.753 0.765 1.00 3.03 H new ATOM 0 HB2 TYR A 83 -11.803 0.882 0.062 1.00 34.24 H new ATOM 0 HB3 TYR A 83 -10.892 1.879 -1.056 1.00 34.24 H new ATOM 0 HD1 TYR A 83 -11.595 1.579 2.628 1.00 10.51 H new ATOM 0 HD2 TYR A 83 -8.809 2.710 -0.396 1.00 23.14 H new ATOM 0 HE1 TYR A 83 -9.875 1.941 4.343 1.00 11.44 H new ATOM 0 HE2 TYR A 83 -7.096 3.073 1.318 1.00 35.13 H new ATOM 0 HH TYR A 83 -6.752 3.372 3.550 1.00 63.42 H new ATOM 1352 N ILE A 84 -11.284 4.754 -1.080 1.00 31.12 N ATOM 1353 CA ILE A 84 -10.699 6.092 -1.118 1.00 61.52 C ATOM 1354 C ILE A 84 -11.791 7.153 -0.982 1.00 42.31 C ATOM 1355 O ILE A 84 -11.617 8.154 -0.286 1.00 42.22 O ATOM 1356 CB ILE A 84 -9.903 6.332 -2.429 1.00 5.34 C ATOM 1357 CG1 ILE A 84 -8.747 5.320 -2.555 1.00 35.31 C ATOM 1358 CG2 ILE A 84 -9.371 7.769 -2.488 1.00 54.45 C ATOM 1359 CD1 ILE A 84 -7.728 5.399 -1.431 1.00 4.14 C ATOM 0 H ILE A 84 -11.108 4.193 -1.913 1.00 31.12 H new ATOM 0 HA ILE A 84 -10.007 6.169 -0.279 1.00 61.52 H new ATOM 0 HB ILE A 84 -10.581 6.186 -3.270 1.00 5.34 H new ATOM 0 HG12 ILE A 84 -9.162 4.313 -2.585 1.00 35.31 H new ATOM 0 HG13 ILE A 84 -8.238 5.483 -3.505 1.00 35.31 H new ATOM 0 HG21 ILE A 84 -8.817 7.914 -3.415 1.00 54.45 H new ATOM 0 HG22 ILE A 84 -10.207 8.468 -2.452 1.00 54.45 H new ATOM 0 HG23 ILE A 84 -8.711 7.948 -1.639 1.00 54.45 H new ATOM 0 HD11 ILE A 84 -6.948 4.655 -1.594 1.00 4.14 H new ATOM 0 HD12 ILE A 84 -7.283 6.394 -1.413 1.00 4.14 H new ATOM 0 HD13 ILE A 84 -8.221 5.205 -0.478 1.00 4.14 H new ATOM 1371 N TYR A 85 -12.927 6.911 -1.631 1.00 74.14 N ATOM 1372 CA TYR A 85 -14.052 7.841 -1.590 1.00 52.42 C ATOM 1373 C TYR A 85 -14.609 7.949 -0.167 1.00 3.11 C ATOM 1374 O TYR A 85 -14.969 9.033 0.289 1.00 25.23 O ATOM 1375 CB TYR A 85 -15.153 7.383 -2.559 1.00 3.32 C ATOM 1376 CG TYR A 85 -16.272 8.395 -2.745 1.00 13.03 C ATOM 1377 CD1 TYR A 85 -17.394 8.392 -1.920 1.00 22.04 C ATOM 1378 CD2 TYR A 85 -16.205 9.357 -3.747 1.00 15.41 C ATOM 1379 CE1 TYR A 85 -18.410 9.311 -2.091 1.00 0.13 C ATOM 1380 CE2 TYR A 85 -17.218 10.281 -3.922 1.00 21.52 C ATOM 1381 CZ TYR A 85 -18.318 10.254 -3.092 1.00 13.30 C ATOM 1382 OH TYR A 85 -19.333 11.170 -3.272 1.00 13.41 O ATOM 0 H TYR A 85 -13.093 6.076 -2.193 1.00 74.14 H new ATOM 0 HA TYR A 85 -13.699 8.825 -1.898 1.00 52.42 H new ATOM 0 HB2 TYR A 85 -14.704 7.171 -3.529 1.00 3.32 H new ATOM 0 HB3 TYR A 85 -15.579 6.449 -2.194 1.00 3.32 H new ATOM 0 HD1 TYR A 85 -17.471 7.657 -1.132 1.00 22.04 H new ATOM 0 HD2 TYR A 85 -15.346 9.383 -4.401 1.00 15.41 H new ATOM 0 HE1 TYR A 85 -19.274 9.291 -1.443 1.00 0.13 H new ATOM 0 HE2 TYR A 85 -17.148 11.021 -4.706 1.00 21.52 H new ATOM 0 HH TYR A 85 -19.109 11.763 -4.019 1.00 13.41 H new ATOM 1392 N GLU A 86 -14.664 6.819 0.531 1.00 22.30 N ATOM 1393 CA GLU A 86 -15.201 6.775 1.888 1.00 51.23 C ATOM 1394 C GLU A 86 -14.383 7.648 2.841 1.00 30.10 C ATOM 1395 O GLU A 86 -14.915 8.554 3.484 1.00 44.53 O ATOM 1396 CB GLU A 86 -15.228 5.334 2.425 1.00 43.03 C ATOM 1397 CG GLU A 86 -16.195 4.401 1.701 1.00 4.13 C ATOM 1398 CD GLU A 86 -16.215 3.002 2.307 1.00 52.15 C ATOM 1399 OE1 GLU A 86 -16.860 2.813 3.359 1.00 12.31 O ATOM 1400 OE2 GLU A 86 -15.580 2.082 1.740 1.00 2.34 O ATOM 0 H GLU A 86 -14.342 5.918 0.178 1.00 22.30 H new ATOM 0 HA GLU A 86 -16.219 7.161 1.839 1.00 51.23 H new ATOM 0 HB2 GLU A 86 -14.223 4.917 2.358 1.00 43.03 H new ATOM 0 HB3 GLU A 86 -15.492 5.360 3.482 1.00 43.03 H new ATOM 0 HG2 GLU A 86 -17.199 4.824 1.736 1.00 4.13 H new ATOM 0 HG3 GLU A 86 -15.914 4.335 0.650 1.00 4.13 H new ATOM 1407 N TYR A 87 -13.082 7.376 2.916 1.00 72.53 N ATOM 1408 CA TYR A 87 -12.240 7.943 3.970 1.00 21.33 C ATOM 1409 C TYR A 87 -11.482 9.200 3.527 1.00 12.40 C ATOM 1410 O TYR A 87 -11.186 10.064 4.357 1.00 51.13 O ATOM 1411 CB TYR A 87 -11.260 6.875 4.475 1.00 72.22 C ATOM 1412 CG TYR A 87 -11.958 5.627 4.989 1.00 43.14 C ATOM 1413 CD1 TYR A 87 -12.405 5.543 6.304 1.00 51.51 C ATOM 1414 CD2 TYR A 87 -12.187 4.540 4.152 1.00 14.50 C ATOM 1415 CE1 TYR A 87 -13.056 4.415 6.766 1.00 40.42 C ATOM 1416 CE2 TYR A 87 -12.833 3.410 4.609 1.00 33.10 C ATOM 1417 CZ TYR A 87 -13.267 3.352 5.914 1.00 22.35 C ATOM 1418 OH TYR A 87 -13.924 2.228 6.368 1.00 32.34 O ATOM 0 H TYR A 87 -12.588 6.769 2.262 1.00 72.53 H new ATOM 0 HA TYR A 87 -12.902 8.256 4.778 1.00 21.33 H new ATOM 0 HB2 TYR A 87 -10.583 6.599 3.667 1.00 72.22 H new ATOM 0 HB3 TYR A 87 -10.649 7.298 5.272 1.00 72.22 H new ATOM 0 HD1 TYR A 87 -12.240 6.373 6.975 1.00 51.51 H new ATOM 0 HD2 TYR A 87 -11.853 4.581 3.126 1.00 14.50 H new ATOM 0 HE1 TYR A 87 -13.398 4.366 7.789 1.00 40.42 H new ATOM 0 HE2 TYR A 87 -12.998 2.574 3.945 1.00 33.10 H new ATOM 0 HH TYR A 87 -13.991 1.573 5.642 1.00 32.34 H new ATOM 1428 N CYS A 88 -11.174 9.319 2.238 1.00 4.05 N ATOM 1429 CA CYS A 88 -10.383 10.456 1.753 1.00 71.32 C ATOM 1430 C CYS A 88 -10.977 11.049 0.474 1.00 51.11 C ATOM 1431 O CYS A 88 -10.276 11.253 -0.521 1.00 73.34 O ATOM 1432 CB CYS A 88 -8.925 10.035 1.522 1.00 21.43 C ATOM 1433 SG CYS A 88 -7.801 11.434 1.172 1.00 35.23 S ATOM 0 H CYS A 88 -11.453 8.655 1.516 1.00 4.05 H new ATOM 0 HA CYS A 88 -10.409 11.230 2.520 1.00 71.32 H new ATOM 0 HB2 CYS A 88 -8.566 9.504 2.403 1.00 21.43 H new ATOM 0 HB3 CYS A 88 -8.887 9.333 0.689 1.00 21.43 H new ATOM 1438 N ASN A 89 -12.275 11.341 0.516 1.00 22.12 N ATOM 1439 CA ASN A 89 -12.963 11.968 -0.613 1.00 72.25 C ATOM 1440 C ASN A 89 -12.495 13.408 -0.788 1.00 63.42 C ATOM 1441 O ASN A 89 -12.398 13.909 -1.911 1.00 14.33 O ATOM 1442 CB ASN A 89 -14.485 11.947 -0.402 1.00 32.43 C ATOM 1443 CG ASN A 89 -15.254 12.523 -1.583 1.00 61.44 C ATOM 1444 OD1 ASN A 89 -14.817 12.429 -2.732 1.00 35.32 O ATOM 1445 ND2 ASN A 89 -16.400 13.127 -1.309 1.00 71.25 N ATOM 0 H ASN A 89 -12.873 11.154 1.320 1.00 22.12 H new ATOM 0 HA ASN A 89 -12.722 11.400 -1.511 1.00 72.25 H new ATOM 0 HB2 ASN A 89 -14.809 10.921 -0.230 1.00 32.43 H new ATOM 0 HB3 ASN A 89 -14.730 12.514 0.496 1.00 32.43 H new ATOM 0 HD21 ASN A 89 -16.954 13.535 -2.062 1.00 71.25 H new ATOM 0 HD22 ASN A 89 -16.728 13.185 -0.345 1.00 71.25 H new ATOM 1452 N PHE A 90 -12.195 14.059 0.335 1.00 5.41 N ATOM 1453 CA PHE A 90 -11.787 15.459 0.331 1.00 25.50 C ATOM 1454 C PHE A 90 -10.494 15.635 -0.464 1.00 11.44 C ATOM 1455 O PHE A 90 -10.499 16.185 -1.572 1.00 1.54 O ATOM 1456 CB PHE A 90 -11.592 15.967 1.766 1.00 73.21 C ATOM 1457 CG PHE A 90 -12.764 15.695 2.676 1.00 20.12 C ATOM 1458 CD1 PHE A 90 -13.875 16.525 2.671 1.00 31.12 C ATOM 1459 CD2 PHE A 90 -12.751 14.609 3.541 1.00 50.30 C ATOM 1460 CE1 PHE A 90 -14.947 16.280 3.508 1.00 74.13 C ATOM 1461 CE2 PHE A 90 -13.820 14.359 4.379 1.00 4.22 C ATOM 1462 CZ PHE A 90 -14.919 15.196 4.364 1.00 24.01 C ATOM 0 H PHE A 90 -12.228 13.635 1.262 1.00 5.41 H new ATOM 0 HA PHE A 90 -12.575 16.043 -0.144 1.00 25.50 H new ATOM 0 HB2 PHE A 90 -10.701 15.501 2.188 1.00 73.21 H new ATOM 0 HB3 PHE A 90 -11.407 17.041 1.739 1.00 73.21 H new ATOM 0 HD1 PHE A 90 -13.903 17.374 2.004 1.00 31.12 H new ATOM 0 HD2 PHE A 90 -11.894 13.952 3.559 1.00 50.30 H new ATOM 0 HE1 PHE A 90 -15.806 16.935 3.493 1.00 74.13 H new ATOM 0 HE2 PHE A 90 -13.797 13.510 5.046 1.00 4.22 H new ATOM 0 HZ PHE A 90 -15.755 15.003 5.020 1.00 24.01 H new ATOM 1472 N GLY A 91 -9.392 15.151 0.101 1.00 72.34 N ATOM 1473 CA GLY A 91 -8.106 15.242 -0.564 1.00 72.45 C ATOM 1474 C GLY A 91 -6.955 15.122 0.413 1.00 33.41 C ATOM 1475 O GLY A 91 -6.553 16.115 1.033 1.00 75.31 O ATOM 0 H GLY A 91 -9.368 14.695 1.013 1.00 72.34 H new ATOM 0 HA2 GLY A 91 -8.029 14.455 -1.314 1.00 72.45 H new ATOM 0 HA3 GLY A 91 -8.037 16.193 -1.092 1.00 72.45 H new ATOM 1479 N CYS A 92 -6.442 13.907 0.575 1.00 21.55 N ATOM 1480 CA CYS A 92 -5.293 13.647 1.439 1.00 44.40 C ATOM 1481 C CYS A 92 -4.321 12.714 0.727 1.00 35.13 C ATOM 1482 O CYS A 92 -4.703 12.020 -0.218 1.00 73.53 O ATOM 1483 CB CYS A 92 -5.748 13.039 2.778 1.00 33.03 C ATOM 1484 SG CYS A 92 -6.434 11.348 2.670 1.00 35.11 S ATOM 0 H CYS A 92 -6.809 13.075 0.113 1.00 21.55 H new ATOM 0 HA CYS A 92 -4.788 14.589 1.653 1.00 44.40 H new ATOM 0 HB2 CYS A 92 -4.898 13.027 3.461 1.00 33.03 H new ATOM 0 HB3 CYS A 92 -6.501 13.692 3.218 1.00 33.03 H new ATOM 1489 N ALA A 93 -3.069 12.704 1.172 1.00 63.14 N ATOM 1490 CA ALA A 93 -2.024 11.927 0.515 1.00 32.14 C ATOM 1491 C ALA A 93 -2.165 10.438 0.820 1.00 63.52 C ATOM 1492 O ALA A 93 -2.392 10.050 1.970 1.00 71.22 O ATOM 1493 CB ALA A 93 -0.650 12.438 0.933 1.00 35.45 C ATOM 0 H ALA A 93 -2.752 13.227 1.988 1.00 63.14 H new ATOM 0 HA ALA A 93 -2.132 12.052 -0.562 1.00 32.14 H new ATOM 0 HB1 ALA A 93 0.123 11.851 0.437 1.00 35.45 H new ATOM 0 HB2 ALA A 93 -0.549 13.485 0.648 1.00 35.45 H new ATOM 0 HB3 ALA A 93 -0.540 12.344 2.013 1.00 35.45 H new ATOM 1499 N TYR A 94 -2.034 9.617 -0.218 1.00 2.32 N ATOM 1500 CA TYR A 94 -2.092 8.162 -0.083 1.00 23.31 C ATOM 1501 C TYR A 94 -1.253 7.500 -1.179 1.00 54.31 C ATOM 1502 O TYR A 94 -0.733 8.183 -2.070 1.00 52.33 O ATOM 1503 CB TYR A 94 -3.547 7.659 -0.141 1.00 42.42 C ATOM 1504 CG TYR A 94 -4.225 7.833 -1.492 1.00 20.23 C ATOM 1505 CD1 TYR A 94 -4.899 9.007 -1.812 1.00 32.11 C ATOM 1506 CD2 TYR A 94 -4.190 6.817 -2.447 1.00 11.41 C ATOM 1507 CE1 TYR A 94 -5.514 9.165 -3.042 1.00 13.01 C ATOM 1508 CE2 TYR A 94 -4.802 6.968 -3.675 1.00 51.33 C ATOM 1509 CZ TYR A 94 -5.463 8.144 -3.969 1.00 11.15 C ATOM 1510 OH TYR A 94 -6.063 8.301 -5.200 1.00 35.23 O ATOM 0 H TYR A 94 -1.885 9.939 -1.174 1.00 2.32 H new ATOM 0 HA TYR A 94 -1.682 7.891 0.890 1.00 23.31 H new ATOM 0 HB2 TYR A 94 -3.563 6.602 0.125 1.00 42.42 H new ATOM 0 HB3 TYR A 94 -4.130 8.187 0.614 1.00 42.42 H new ATOM 0 HD1 TYR A 94 -4.943 9.808 -1.089 1.00 32.11 H new ATOM 0 HD2 TYR A 94 -3.675 5.895 -2.221 1.00 11.41 H new ATOM 0 HE1 TYR A 94 -6.032 10.084 -3.275 1.00 13.01 H new ATOM 0 HE2 TYR A 94 -4.764 6.170 -4.402 1.00 51.33 H new ATOM 0 HH TYR A 94 -5.412 8.113 -5.908 1.00 35.23 H new ATOM 1520 N PHE A 95 -1.125 6.174 -1.114 1.00 20.42 N ATOM 1521 CA PHE A 95 -0.345 5.415 -2.097 1.00 74.43 C ATOM 1522 C PHE A 95 -0.840 3.971 -2.194 1.00 33.31 C ATOM 1523 O PHE A 95 -1.367 3.428 -1.222 1.00 52.24 O ATOM 1524 CB PHE A 95 1.148 5.444 -1.732 1.00 22.03 C ATOM 1525 CG PHE A 95 1.466 4.895 -0.360 1.00 53.31 C ATOM 1526 CD1 PHE A 95 1.344 5.691 0.769 1.00 55.13 C ATOM 1527 CD2 PHE A 95 1.898 3.586 -0.202 1.00 74.12 C ATOM 1528 CE1 PHE A 95 1.644 5.197 2.023 1.00 52.23 C ATOM 1529 CE2 PHE A 95 2.202 3.086 1.049 1.00 22.22 C ATOM 1530 CZ PHE A 95 2.076 3.893 2.163 1.00 54.42 C ATOM 0 H PHE A 95 -1.553 5.600 -0.388 1.00 20.42 H new ATOM 0 HA PHE A 95 -0.479 5.885 -3.071 1.00 74.43 H new ATOM 0 HB2 PHE A 95 1.703 4.873 -2.476 1.00 22.03 H new ATOM 0 HB3 PHE A 95 1.504 6.473 -1.790 1.00 22.03 H new ATOM 0 HD1 PHE A 95 1.009 6.713 0.666 1.00 55.13 H new ATOM 0 HD2 PHE A 95 1.998 2.950 -1.069 1.00 74.12 H new ATOM 0 HE1 PHE A 95 1.541 5.829 2.893 1.00 52.23 H new ATOM 0 HE2 PHE A 95 2.538 2.065 1.156 1.00 22.22 H new ATOM 0 HZ PHE A 95 2.315 3.505 3.142 1.00 54.42 H new ATOM 1540 N VAL A 96 -0.665 3.357 -3.368 1.00 13.02 N ATOM 1541 CA VAL A 96 -1.122 1.986 -3.615 1.00 34.54 C ATOM 1542 C VAL A 96 -0.011 1.157 -4.272 1.00 14.15 C ATOM 1543 O VAL A 96 0.569 1.574 -5.280 1.00 54.12 O ATOM 1544 CB VAL A 96 -2.376 1.957 -4.531 1.00 75.01 C ATOM 1545 CG1 VAL A 96 -2.879 0.527 -4.728 1.00 34.21 C ATOM 1546 CG2 VAL A 96 -3.484 2.856 -3.973 1.00 62.41 C ATOM 0 H VAL A 96 -0.206 3.792 -4.168 1.00 13.02 H new ATOM 0 HA VAL A 96 -1.382 1.558 -2.647 1.00 34.54 H new ATOM 0 HB VAL A 96 -2.086 2.347 -5.507 1.00 75.01 H new ATOM 0 HG11 VAL A 96 -3.757 0.536 -5.373 1.00 34.21 H new ATOM 0 HG12 VAL A 96 -2.096 -0.074 -5.190 1.00 34.21 H new ATOM 0 HG13 VAL A 96 -3.143 0.098 -3.761 1.00 34.21 H new ATOM 0 HG21 VAL A 96 -4.351 2.818 -4.633 1.00 62.41 H new ATOM 0 HG22 VAL A 96 -3.769 2.509 -2.980 1.00 62.41 H new ATOM 0 HG23 VAL A 96 -3.122 3.882 -3.909 1.00 62.41 H new ATOM 1556 N LEU A 97 0.279 -0.009 -3.694 1.00 32.32 N ATOM 1557 CA LEU A 97 1.304 -0.920 -4.214 1.00 3.22 C ATOM 1558 C LEU A 97 0.666 -2.196 -4.768 1.00 42.52 C ATOM 1559 O LEU A 97 -0.350 -2.670 -4.252 1.00 41.42 O ATOM 1560 CB LEU A 97 2.322 -1.285 -3.115 1.00 14.24 C ATOM 1561 CG LEU A 97 3.460 -0.272 -2.877 1.00 11.40 C ATOM 1562 CD1 LEU A 97 2.924 1.082 -2.429 1.00 32.22 C ATOM 1563 CD2 LEU A 97 4.448 -0.816 -1.853 1.00 21.33 C ATOM 0 H LEU A 97 -0.188 -0.350 -2.854 1.00 32.32 H new ATOM 0 HA LEU A 97 1.825 -0.406 -5.021 1.00 3.22 H new ATOM 0 HB2 LEU A 97 1.781 -1.419 -2.178 1.00 14.24 H new ATOM 0 HB3 LEU A 97 2.767 -2.248 -3.367 1.00 14.24 H new ATOM 0 HG LEU A 97 3.976 -0.125 -3.826 1.00 11.40 H new ATOM 0 HD11 LEU A 97 3.756 1.769 -2.271 1.00 32.22 H new ATOM 0 HD12 LEU A 97 2.262 1.484 -3.197 1.00 32.22 H new ATOM 0 HD13 LEU A 97 2.370 0.964 -1.498 1.00 32.22 H new ATOM 0 HD21 LEU A 97 5.246 -0.090 -1.696 1.00 21.33 H new ATOM 0 HD22 LEU A 97 3.932 -0.998 -0.910 1.00 21.33 H new ATOM 0 HD23 LEU A 97 4.875 -1.750 -2.219 1.00 21.33 H new ATOM 1575 N LYS A 98 1.283 -2.738 -5.814 1.00 33.22 N ATOM 1576 CA LYS A 98 0.841 -3.978 -6.454 1.00 61.52 C ATOM 1577 C LYS A 98 1.939 -5.038 -6.354 1.00 3.30 C ATOM 1578 O LYS A 98 3.113 -4.734 -6.550 1.00 72.42 O ATOM 1579 CB LYS A 98 0.514 -3.709 -7.931 1.00 34.21 C ATOM 1580 CG LYS A 98 0.439 -4.963 -8.805 1.00 31.21 C ATOM 1581 CD LYS A 98 0.551 -4.618 -10.288 1.00 31.33 C ATOM 1582 CE LYS A 98 0.874 -5.839 -11.142 1.00 12.31 C ATOM 1583 NZ LYS A 98 1.312 -5.446 -12.507 1.00 50.14 N ATOM 0 H LYS A 98 2.111 -2.328 -6.246 1.00 33.22 H new ATOM 0 HA LYS A 98 -0.052 -4.342 -5.946 1.00 61.52 H new ATOM 0 HB2 LYS A 98 -0.440 -3.184 -7.989 1.00 34.21 H new ATOM 0 HB3 LYS A 98 1.271 -3.041 -8.341 1.00 34.21 H new ATOM 0 HG2 LYS A 98 1.240 -5.649 -8.528 1.00 31.21 H new ATOM 0 HG3 LYS A 98 -0.502 -5.481 -8.621 1.00 31.21 H new ATOM 0 HD2 LYS A 98 -0.386 -4.177 -10.628 1.00 31.33 H new ATOM 0 HD3 LYS A 98 1.327 -3.865 -10.426 1.00 31.33 H new ATOM 0 HE2 LYS A 98 1.658 -6.424 -10.661 1.00 12.31 H new ATOM 0 HE3 LYS A 98 -0.005 -6.480 -11.211 1.00 12.31 H new ATOM 0 HZ1 LYS A 98 1.508 -6.300 -13.068 1.00 50.14 H new ATOM 0 HZ2 LYS A 98 0.560 -4.894 -12.967 1.00 50.14 H new ATOM 0 HZ3 LYS A 98 2.175 -4.869 -12.442 1.00 50.14 H new ATOM 1597 N ARG A 99 1.551 -6.272 -6.056 1.00 75.41 N ATOM 1598 CA ARG A 99 2.498 -7.381 -5.962 1.00 62.24 C ATOM 1599 C ARG A 99 3.125 -7.721 -7.315 1.00 24.33 C ATOM 1600 O ARG A 99 2.442 -7.746 -8.343 1.00 3.10 O ATOM 1601 CB ARG A 99 1.799 -8.627 -5.408 1.00 25.31 C ATOM 1602 CG ARG A 99 2.701 -9.857 -5.333 1.00 25.54 C ATOM 1603 CD ARG A 99 3.881 -9.626 -4.398 1.00 33.11 C ATOM 1604 NE ARG A 99 4.824 -10.744 -4.418 1.00 32.45 N ATOM 1605 CZ ARG A 99 4.954 -11.624 -3.425 1.00 63.52 C ATOM 1606 NH1 ARG A 99 4.105 -11.610 -2.405 1.00 72.23 N ATOM 1607 NH2 ARG A 99 5.908 -12.547 -3.477 1.00 52.21 N ATOM 0 H ARG A 99 0.582 -6.533 -5.874 1.00 75.41 H new ATOM 0 HA ARG A 99 3.294 -7.064 -5.288 1.00 62.24 H new ATOM 0 HB2 ARG A 99 1.418 -8.406 -4.411 1.00 25.31 H new ATOM 0 HB3 ARG A 99 0.937 -8.857 -6.034 1.00 25.31 H new ATOM 0 HG2 ARG A 99 2.123 -10.713 -4.986 1.00 25.54 H new ATOM 0 HG3 ARG A 99 3.068 -10.102 -6.330 1.00 25.54 H new ATOM 0 HD2 ARG A 99 4.398 -8.711 -4.686 1.00 33.11 H new ATOM 0 HD3 ARG A 99 3.515 -9.479 -3.382 1.00 33.11 H new ATOM 0 HE ARG A 99 5.417 -10.857 -5.240 1.00 32.45 H new ATOM 0 HH11 ARG A 99 3.350 -10.925 -2.379 1.00 72.23 H new ATOM 0 HH12 ARG A 99 4.207 -12.285 -1.647 1.00 72.23 H new ATOM 0 HH21 ARG A 99 6.541 -12.582 -4.276 1.00 52.21 H new ATOM 0 HH22 ARG A 99 6.008 -13.221 -2.718 1.00 52.21 H new ATOM 1621 N ILE A 100 4.429 -7.983 -7.296 1.00 12.03 N ATOM 1622 CA ILE A 100 5.134 -8.517 -8.452 1.00 13.33 C ATOM 1623 C ILE A 100 5.292 -10.031 -8.290 1.00 72.35 C ATOM 1624 O ILE A 100 5.512 -10.518 -7.175 1.00 52.43 O ATOM 1625 CB ILE A 100 6.525 -7.860 -8.619 1.00 20.22 C ATOM 1626 CG1 ILE A 100 6.402 -6.326 -8.639 1.00 43.20 C ATOM 1627 CG2 ILE A 100 7.204 -8.360 -9.892 1.00 55.52 C ATOM 1628 CD1 ILE A 100 5.524 -5.796 -9.749 1.00 60.34 C ATOM 0 H ILE A 100 5.023 -7.831 -6.481 1.00 12.03 H new ATOM 0 HA ILE A 100 4.550 -8.294 -9.345 1.00 13.33 H new ATOM 0 HB ILE A 100 7.142 -8.143 -7.766 1.00 20.22 H new ATOM 0 HG12 ILE A 100 6.003 -5.991 -7.682 1.00 43.20 H new ATOM 0 HG13 ILE A 100 7.397 -5.893 -8.738 1.00 43.20 H new ATOM 0 HG21 ILE A 100 8.181 -7.887 -9.993 1.00 55.52 H new ATOM 0 HG22 ILE A 100 7.328 -9.442 -9.837 1.00 55.52 H new ATOM 0 HG23 ILE A 100 6.588 -8.109 -10.756 1.00 55.52 H new ATOM 0 HD11 ILE A 100 5.488 -4.708 -9.696 1.00 60.34 H new ATOM 0 HD12 ILE A 100 5.933 -6.099 -10.713 1.00 60.34 H new ATOM 0 HD13 ILE A 100 4.517 -6.198 -9.640 1.00 60.34 H new ATOM 1640 N ARG A 101 5.167 -10.768 -9.393 1.00 22.15 N ATOM 1641 CA ARG A 101 5.198 -12.232 -9.361 1.00 15.54 C ATOM 1642 C ARG A 101 6.529 -12.747 -8.801 1.00 41.11 C ATOM 1643 O ARG A 101 6.548 -13.610 -7.916 1.00 52.23 O ATOM 1644 CB ARG A 101 4.947 -12.795 -10.770 1.00 34.25 C ATOM 1645 CG ARG A 101 4.658 -14.295 -10.798 1.00 60.35 C ATOM 1646 CD ARG A 101 4.368 -14.794 -12.210 1.00 34.53 C ATOM 1647 NE ARG A 101 3.885 -16.179 -12.208 1.00 50.52 N ATOM 1648 CZ ARG A 101 3.408 -16.812 -13.284 1.00 13.22 C ATOM 1649 NH1 ARG A 101 3.390 -16.209 -14.467 1.00 71.44 N ATOM 1650 NH2 ARG A 101 2.948 -18.052 -13.172 1.00 34.23 N ATOM 0 H ARG A 101 5.043 -10.374 -10.325 1.00 22.15 H new ATOM 0 HA ARG A 101 4.405 -12.577 -8.697 1.00 15.54 H new ATOM 0 HB2 ARG A 101 4.106 -12.265 -11.217 1.00 34.25 H new ATOM 0 HB3 ARG A 101 5.819 -12.592 -11.392 1.00 34.25 H new ATOM 0 HG2 ARG A 101 5.512 -14.836 -10.390 1.00 60.35 H new ATOM 0 HG3 ARG A 101 3.806 -14.512 -10.154 1.00 60.35 H new ATOM 0 HD2 ARG A 101 3.624 -14.150 -12.678 1.00 34.53 H new ATOM 0 HD3 ARG A 101 5.273 -14.725 -12.813 1.00 34.53 H new ATOM 0 HE ARG A 101 3.915 -16.693 -11.327 1.00 50.52 H new ATOM 0 HH11 ARG A 101 3.742 -15.256 -14.559 1.00 71.44 H new ATOM 0 HH12 ARG A 101 3.024 -16.699 -15.284 1.00 71.44 H new ATOM 0 HH21 ARG A 101 2.959 -18.520 -12.266 1.00 34.23 H new ATOM 0 HH22 ARG A 101 2.584 -18.537 -13.992 1.00 34.23 H new ATOM 1664 N LYS A 102 7.636 -12.212 -9.311 1.00 45.13 N ATOM 1665 CA LYS A 102 8.971 -12.578 -8.826 1.00 61.30 C ATOM 1666 C LYS A 102 9.749 -11.334 -8.398 1.00 45.05 C ATOM 1667 O LYS A 102 9.270 -10.214 -8.550 1.00 11.13 O ATOM 1668 CB LYS A 102 9.756 -13.359 -9.895 1.00 12.55 C ATOM 1669 CG LYS A 102 9.136 -14.709 -10.260 1.00 43.42 C ATOM 1670 CD LYS A 102 10.117 -15.607 -11.011 1.00 10.54 C ATOM 1671 CE LYS A 102 10.574 -14.996 -12.331 1.00 32.23 C ATOM 1672 NZ LYS A 102 11.588 -15.849 -13.007 1.00 12.32 N ATOM 0 H LYS A 102 7.638 -11.522 -10.062 1.00 45.13 H new ATOM 0 HA LYS A 102 8.844 -13.225 -7.958 1.00 61.30 H new ATOM 0 HB2 LYS A 102 9.829 -12.749 -10.795 1.00 12.55 H new ATOM 0 HB3 LYS A 102 10.773 -13.522 -9.537 1.00 12.55 H new ATOM 0 HG2 LYS A 102 8.806 -15.213 -9.352 1.00 43.42 H new ATOM 0 HG3 LYS A 102 8.250 -14.547 -10.874 1.00 43.42 H new ATOM 0 HD2 LYS A 102 10.987 -15.796 -10.382 1.00 10.54 H new ATOM 0 HD3 LYS A 102 9.647 -16.571 -11.204 1.00 10.54 H new ATOM 0 HE2 LYS A 102 9.714 -14.862 -12.988 1.00 32.23 H new ATOM 0 HE3 LYS A 102 10.993 -14.006 -12.149 1.00 32.23 H new ATOM 0 HZ1 LYS A 102 12.475 -15.317 -13.111 1.00 12.32 H new ATOM 0 HZ2 LYS A 102 11.760 -16.701 -12.437 1.00 12.32 H new ATOM 0 HZ3 LYS A 102 11.238 -16.126 -13.946 1.00 12.32 H new ATOM 1686 N LEU A 103 10.951 -11.545 -7.862 1.00 11.11 N ATOM 1687 CA LEU A 103 11.760 -10.456 -7.311 1.00 13.45 C ATOM 1688 C LEU A 103 12.682 -9.838 -8.359 1.00 61.22 C ATOM 1689 O LEU A 103 13.052 -10.484 -9.344 1.00 22.31 O ATOM 1690 CB LEU A 103 12.607 -10.962 -6.125 1.00 60.01 C ATOM 1691 CG LEU A 103 11.849 -11.186 -4.806 1.00 11.11 C ATOM 1692 CD1 LEU A 103 11.203 -9.884 -4.345 1.00 3.13 C ATOM 1693 CD2 LEU A 103 10.811 -12.301 -4.944 1.00 55.35 C ATOM 0 H LEU A 103 11.388 -12.464 -7.797 1.00 11.11 H new ATOM 0 HA LEU A 103 11.067 -9.686 -6.972 1.00 13.45 H new ATOM 0 HB2 LEU A 103 13.078 -11.901 -6.415 1.00 60.01 H new ATOM 0 HB3 LEU A 103 13.408 -10.246 -5.944 1.00 60.01 H new ATOM 0 HG LEU A 103 12.565 -11.504 -4.048 1.00 11.11 H new ATOM 0 HD11 LEU A 103 10.669 -10.054 -3.410 1.00 3.13 H new ATOM 0 HD12 LEU A 103 11.975 -9.130 -4.190 1.00 3.13 H new ATOM 0 HD13 LEU A 103 10.503 -9.536 -5.105 1.00 3.13 H new ATOM 0 HD21 LEU A 103 10.292 -12.435 -3.995 1.00 55.35 H new ATOM 0 HD22 LEU A 103 10.090 -12.034 -5.717 1.00 55.35 H new ATOM 0 HD23 LEU A 103 11.310 -13.230 -5.219 1.00 55.35 H new ATOM 1705 N GLU A 104 13.049 -8.580 -8.120 1.00 15.20 N ATOM 1706 CA GLU A 104 14.040 -7.875 -8.928 1.00 41.41 C ATOM 1707 C GLU A 104 15.407 -8.549 -8.746 1.00 41.25 C ATOM 1708 O GLU A 104 15.665 -9.171 -7.713 1.00 23.44 O ATOM 1709 CB GLU A 104 14.111 -6.399 -8.477 1.00 73.04 C ATOM 1710 CG GLU A 104 14.359 -5.392 -9.598 1.00 62.34 C ATOM 1711 CD GLU A 104 15.651 -5.640 -10.354 1.00 74.41 C ATOM 1712 OE1 GLU A 104 16.728 -5.260 -9.847 1.00 34.40 O ATOM 1713 OE2 GLU A 104 15.601 -6.248 -11.441 1.00 44.11 O ATOM 0 H GLU A 104 12.666 -8.020 -7.358 1.00 15.20 H new ATOM 0 HA GLU A 104 13.758 -7.911 -9.980 1.00 41.41 H new ATOM 0 HB2 GLU A 104 13.176 -6.142 -7.978 1.00 73.04 H new ATOM 0 HB3 GLU A 104 14.905 -6.299 -7.737 1.00 73.04 H new ATOM 0 HG2 GLU A 104 13.524 -5.426 -10.298 1.00 62.34 H new ATOM 0 HG3 GLU A 104 14.380 -4.387 -9.176 1.00 62.34 H new ATOM 1720 N HIS A 105 16.282 -8.425 -9.739 1.00 1.24 N ATOM 1721 CA HIS A 105 17.622 -9.011 -9.660 1.00 75.53 C ATOM 1722 C HIS A 105 18.590 -8.089 -8.911 1.00 60.34 C ATOM 1723 O HIS A 105 19.808 -8.212 -9.052 1.00 71.40 O ATOM 1724 CB HIS A 105 18.162 -9.330 -11.068 1.00 51.32 C ATOM 1725 CG HIS A 105 18.401 -8.139 -11.966 1.00 65.23 C ATOM 1726 ND1 HIS A 105 18.279 -6.822 -11.563 1.00 74.43 N ATOM 1727 CD2 HIS A 105 18.770 -8.090 -13.270 1.00 14.43 C ATOM 1728 CE1 HIS A 105 18.563 -6.025 -12.577 1.00 71.44 C ATOM 1729 NE2 HIS A 105 18.865 -6.767 -13.621 1.00 52.13 N ATOM 0 H HIS A 105 16.091 -7.926 -10.608 1.00 1.24 H new ATOM 0 HA HIS A 105 17.543 -9.942 -9.099 1.00 75.53 H new ATOM 0 HB2 HIS A 105 19.100 -9.875 -10.962 1.00 51.32 H new ATOM 0 HB3 HIS A 105 17.459 -9.999 -11.563 1.00 51.32 H new ATOM 0 HD1 HIS A 105 18.011 -6.514 -10.628 1.00 74.43 H new ATOM 0 HD2 HIS A 105 18.955 -8.937 -13.914 1.00 14.43 H new ATOM 0 HE1 HIS A 105 18.550 -4.945 -12.553 1.00 71.44 H new ATOM 1738 N HIS A 106 18.046 -7.188 -8.088 1.00 13.13 N ATOM 1739 CA HIS A 106 18.854 -6.198 -7.363 1.00 41.30 C ATOM 1740 C HIS A 106 19.758 -6.858 -6.316 1.00 54.45 C ATOM 1741 O HIS A 106 20.580 -6.190 -5.690 1.00 4.12 O ATOM 1742 CB HIS A 106 17.955 -5.144 -6.698 1.00 53.13 C ATOM 1743 CG HIS A 106 18.723 -4.001 -6.092 1.00 13.51 C ATOM 1744 ND1 HIS A 106 18.537 -3.557 -4.799 1.00 73.41 N ATOM 1745 CD2 HIS A 106 19.695 -3.215 -6.619 1.00 74.23 C ATOM 1746 CE1 HIS A 106 19.363 -2.553 -4.559 1.00 43.51 C ATOM 1747 NE2 HIS A 106 20.072 -2.326 -5.646 1.00 65.53 N ATOM 0 H HIS A 106 17.045 -7.122 -7.905 1.00 13.13 H new ATOM 0 HA HIS A 106 19.495 -5.706 -8.095 1.00 41.30 H new ATOM 0 HB2 HIS A 106 17.258 -4.752 -7.439 1.00 53.13 H new ATOM 0 HB3 HIS A 106 17.358 -5.623 -5.922 1.00 53.13 H new ATOM 0 HD2 HIS A 106 20.097 -3.278 -7.619 1.00 74.23 H new ATOM 0 HE1 HIS A 106 19.443 -2.010 -3.629 1.00 43.51 H new ATOM 0 HE2 HIS A 106 20.786 -1.605 -5.747 1.00 65.53 H new ATOM 1756 N HIS A 107 19.596 -8.171 -6.123 1.00 71.22 N ATOM 1757 CA HIS A 107 20.506 -8.935 -5.266 1.00 1.21 C ATOM 1758 C HIS A 107 21.889 -9.022 -5.913 1.00 32.43 C ATOM 1759 O HIS A 107 22.843 -9.510 -5.308 1.00 54.11 O ATOM 1760 CB HIS A 107 19.954 -10.343 -4.977 1.00 3.33 C ATOM 1761 CG HIS A 107 19.016 -10.399 -3.803 1.00 44.25 C ATOM 1762 ND1 HIS A 107 19.095 -11.365 -2.824 1.00 64.45 N ATOM 1763 CD2 HIS A 107 17.975 -9.603 -3.456 1.00 64.45 C ATOM 1764 CE1 HIS A 107 18.146 -11.163 -1.930 1.00 11.22 C ATOM 1765 NE2 HIS A 107 17.451 -10.098 -2.286 1.00 3.43 N ATOM 0 H HIS A 107 18.849 -8.723 -6.545 1.00 71.22 H new ATOM 0 HA HIS A 107 20.594 -8.413 -4.313 1.00 1.21 H new ATOM 0 HB2 HIS A 107 19.434 -10.708 -5.863 1.00 3.33 H new ATOM 0 HB3 HIS A 107 20.789 -11.020 -4.796 1.00 3.33 H new ATOM 0 HD2 HIS A 107 17.622 -8.739 -3.999 1.00 64.45 H new ATOM 0 HE1 HIS A 107 17.967 -11.768 -1.053 1.00 11.22 H new ATOM 0 HE2 HIS A 107 16.658 -9.708 -1.777 1.00 3.43 H new ATOM 1774 N HIS A 108 21.978 -8.562 -7.159 1.00 73.12 N ATOM 1775 CA HIS A 108 23.258 -8.405 -7.836 1.00 13.25 C ATOM 1776 C HIS A 108 23.730 -6.966 -7.665 1.00 70.24 C ATOM 1777 O HIS A 108 23.060 -6.035 -8.115 1.00 1.55 O ATOM 1778 CB HIS A 108 23.144 -8.749 -9.329 1.00 74.41 C ATOM 1779 CG HIS A 108 22.747 -10.170 -9.590 1.00 63.12 C ATOM 1780 ND1 HIS A 108 23.598 -11.105 -10.139 1.00 61.34 N ATOM 1781 CD2 HIS A 108 21.571 -10.813 -9.382 1.00 54.32 C ATOM 1782 CE1 HIS A 108 22.964 -12.257 -10.259 1.00 1.01 C ATOM 1783 NE2 HIS A 108 21.735 -12.107 -9.806 1.00 23.30 N ATOM 0 H HIS A 108 21.171 -8.291 -7.721 1.00 73.12 H new ATOM 0 HA HIS A 108 23.979 -9.092 -7.393 1.00 13.25 H new ATOM 0 HB2 HIS A 108 22.413 -8.086 -9.791 1.00 74.41 H new ATOM 0 HB3 HIS A 108 24.101 -8.554 -9.812 1.00 74.41 H new ATOM 0 HD2 HIS A 108 20.673 -10.386 -8.961 1.00 54.32 H new ATOM 0 HE1 HIS A 108 23.382 -13.168 -10.661 1.00 1.01 H new ATOM 0 HE2 HIS A 108 21.022 -12.835 -9.776 1.00 23.30 H new ATOM 1792 N HIS A 109 24.864 -6.792 -6.993 1.00 73.15 N ATOM 1793 CA HIS A 109 25.401 -5.463 -6.705 1.00 71.32 C ATOM 1794 C HIS A 109 25.598 -4.655 -7.987 1.00 62.22 C ATOM 1795 O HIS A 109 26.339 -5.063 -8.884 1.00 11.14 O ATOM 1796 CB HIS A 109 26.730 -5.570 -5.944 1.00 50.13 C ATOM 1797 CG HIS A 109 26.586 -6.084 -4.545 1.00 74.54 C ATOM 1798 ND1 HIS A 109 26.903 -7.373 -4.178 1.00 24.42 N ATOM 1799 CD2 HIS A 109 26.161 -5.469 -3.416 1.00 35.03 C ATOM 1800 CE1 HIS A 109 26.684 -7.528 -2.887 1.00 14.22 C ATOM 1801 NE2 HIS A 109 26.234 -6.389 -2.398 1.00 73.13 N ATOM 0 H HIS A 109 25.433 -7.559 -6.635 1.00 73.15 H new ATOM 0 HA HIS A 109 24.675 -4.942 -6.080 1.00 71.32 H new ATOM 0 HB2 HIS A 109 27.402 -6.228 -6.495 1.00 50.13 H new ATOM 0 HB3 HIS A 109 27.200 -4.587 -5.913 1.00 50.13 H new ATOM 0 HD2 HIS A 109 25.827 -4.446 -3.331 1.00 35.03 H new ATOM 0 HE1 HIS A 109 26.846 -8.436 -2.324 1.00 14.22 H new ATOM 0 HE2 HIS A 109 25.982 -6.219 -1.424 1.00 73.13 H new ATOM 1810 N HIS A 110 24.917 -3.515 -8.068 1.00 11.25 N ATOM 1811 CA HIS A 110 25.036 -2.611 -9.207 1.00 1.13 C ATOM 1812 C HIS A 110 26.422 -1.959 -9.216 1.00 61.14 C ATOM 1813 O HIS A 110 27.276 -2.374 -10.023 1.00 38.25 O ATOM 1814 CB HIS A 110 23.927 -1.543 -9.156 1.00 45.53 C ATOM 1815 CG HIS A 110 23.998 -0.521 -10.257 1.00 51.23 C ATOM 1816 ND1 HIS A 110 23.353 -0.662 -11.469 1.00 1.40 N ATOM 1817 CD2 HIS A 110 24.625 0.679 -10.313 1.00 3.23 C ATOM 1818 CE1 HIS A 110 23.581 0.404 -12.215 1.00 5.54 C ATOM 1819 NE2 HIS A 110 24.350 1.233 -11.537 1.00 21.44 N ATOM 1820 OXT HIS A 110 26.657 -1.048 -8.393 1.00 38.25 O ATOM 0 H HIS A 110 24.270 -3.193 -7.348 1.00 11.25 H new ATOM 0 HA HIS A 110 24.918 -3.181 -10.129 1.00 1.13 H new ATOM 0 HB2 HIS A 110 22.958 -2.040 -9.200 1.00 45.53 H new ATOM 0 HB3 HIS A 110 23.978 -1.029 -8.196 1.00 45.53 H new ATOM 0 HD2 HIS A 110 25.231 1.119 -9.535 1.00 3.23 H new ATOM 0 HE1 HIS A 110 23.201 0.569 -13.213 1.00 5.54 H new ATOM 0 HE2 HIS A 110 24.685 2.138 -11.868 1.00 21.44 H new TER 1829 HIS A 110