USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 657 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 13 SER OG : rot 180:sc= -0.0462 USER MOD Set 1.2: A 75 THR OG1 : rot -160:sc= -0.52 USER MOD Set 2.1: A 44 THR OG1 : rot -158:sc= 1.68 USER MOD Set 2.2: A 63 GLN : amide:sc= 0.598 K(o=0.43,f=-2.8) USER MOD Set 2.3: A 67 SER OG : rot 63:sc= -1.85! USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00917) USER MOD Single : A 38 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0207 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= 0.111 (180deg=0.0218) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.986 K(o=-0.99,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 72.869 1.149 -24.359 1.00 0.00 N ATOM 2 CA GLU A 8 73.256 0.648 -23.000 1.00 0.00 C ATOM 3 C GLU A 8 74.638 1.185 -22.606 1.00 0.00 C ATOM 4 O GLU A 8 75.489 1.396 -23.453 1.00 0.00 O ATOM 5 CB GLU A 8 73.261 -0.889 -23.105 1.00 0.00 C ATOM 6 CG GLU A 8 74.246 -1.372 -24.182 1.00 0.00 C ATOM 7 CD GLU A 8 74.219 -2.900 -24.251 1.00 0.00 C ATOM 8 OE1 GLU A 8 74.705 -3.523 -23.322 1.00 0.00 O ATOM 9 OE2 GLU A 8 73.712 -3.420 -25.231 1.00 0.00 O ATOM 0 HA GLU A 8 72.562 0.985 -22.229 1.00 0.00 H new ATOM 0 HB2 GLU A 8 73.532 -1.321 -22.141 1.00 0.00 H new ATOM 0 HB3 GLU A 8 72.258 -1.243 -23.342 1.00 0.00 H new ATOM 0 HG2 GLU A 8 73.979 -0.949 -25.150 1.00 0.00 H new ATOM 0 HG3 GLU A 8 75.253 -1.026 -23.950 1.00 0.00 H new ATOM 16 N GLY A 9 74.855 1.403 -21.328 1.00 0.00 N ATOM 17 CA GLY A 9 76.170 1.928 -20.848 1.00 0.00 C ATOM 18 C GLY A 9 76.441 1.410 -19.433 1.00 0.00 C ATOM 19 O GLY A 9 76.161 0.264 -19.126 1.00 0.00 O ATOM 0 H GLY A 9 74.168 1.237 -20.592 1.00 0.00 H new ATOM 0 HA2 GLY A 9 76.967 1.612 -21.521 1.00 0.00 H new ATOM 0 HA3 GLY A 9 76.162 3.018 -20.852 1.00 0.00 H new ATOM 23 N VAL A 10 76.983 2.250 -18.580 1.00 0.00 N ATOM 24 CA VAL A 10 77.274 1.834 -17.169 1.00 0.00 C ATOM 25 C VAL A 10 76.052 2.135 -16.290 1.00 0.00 C ATOM 26 O VAL A 10 75.514 3.228 -16.326 1.00 0.00 O ATOM 27 CB VAL A 10 78.497 2.668 -16.728 1.00 0.00 C ATOM 28 CG1 VAL A 10 78.899 2.303 -15.294 1.00 0.00 C ATOM 29 CG2 VAL A 10 79.689 2.385 -17.652 1.00 0.00 C ATOM 0 H VAL A 10 77.238 3.212 -18.803 1.00 0.00 H new ATOM 0 HA VAL A 10 77.483 0.768 -17.082 1.00 0.00 H new ATOM 0 HB VAL A 10 78.226 3.723 -16.780 1.00 0.00 H new ATOM 0 HG11 VAL A 10 79.762 2.898 -14.996 1.00 0.00 H new ATOM 0 HG12 VAL A 10 78.067 2.507 -14.620 1.00 0.00 H new ATOM 0 HG13 VAL A 10 79.154 1.244 -15.246 1.00 0.00 H new ATOM 0 HG21 VAL A 10 80.546 2.978 -17.332 1.00 0.00 H new ATOM 0 HG22 VAL A 10 79.943 1.326 -17.605 1.00 0.00 H new ATOM 0 HG23 VAL A 10 79.426 2.650 -18.676 1.00 0.00 H new ATOM 39 N ILE A 11 75.621 1.169 -15.509 1.00 0.00 N ATOM 40 CA ILE A 11 74.433 1.368 -14.617 1.00 0.00 C ATOM 41 C ILE A 11 74.859 1.177 -13.154 1.00 0.00 C ATOM 42 O ILE A 11 75.407 0.150 -12.794 1.00 0.00 O ATOM 43 CB ILE A 11 73.408 0.296 -15.046 1.00 0.00 C ATOM 44 CG1 ILE A 11 73.013 0.504 -16.514 1.00 0.00 C ATOM 45 CG2 ILE A 11 72.142 0.393 -14.182 1.00 0.00 C ATOM 46 CD1 ILE A 11 72.287 -0.741 -17.031 1.00 0.00 C ATOM 0 H ILE A 11 76.046 0.244 -15.452 1.00 0.00 H new ATOM 0 HA ILE A 11 74.006 2.368 -14.701 1.00 0.00 H new ATOM 0 HB ILE A 11 73.867 -0.684 -14.918 1.00 0.00 H new ATOM 0 HG12 ILE A 11 72.369 1.378 -16.608 1.00 0.00 H new ATOM 0 HG13 ILE A 11 73.901 0.696 -17.116 1.00 0.00 H new ATOM 0 HG21 ILE A 11 71.428 -0.369 -14.496 1.00 0.00 H new ATOM 0 HG22 ILE A 11 72.403 0.237 -13.135 1.00 0.00 H new ATOM 0 HG23 ILE A 11 71.695 1.380 -14.301 1.00 0.00 H new ATOM 0 HD11 ILE A 11 72.007 -0.592 -18.074 1.00 0.00 H new ATOM 0 HD12 ILE A 11 72.946 -1.606 -16.952 1.00 0.00 H new ATOM 0 HD13 ILE A 11 71.390 -0.913 -16.435 1.00 0.00 H new ATOM 58 N MET A 12 74.609 2.165 -12.324 1.00 0.00 N ATOM 59 CA MET A 12 74.864 2.013 -10.855 1.00 0.00 C ATOM 60 C MET A 12 73.630 1.421 -10.157 1.00 0.00 C ATOM 61 O MET A 12 72.567 2.017 -10.157 1.00 0.00 O ATOM 62 CB MET A 12 75.246 3.355 -10.228 1.00 0.00 C ATOM 63 CG MET A 12 74.166 4.420 -10.337 1.00 0.00 C ATOM 64 SD MET A 12 74.763 6.064 -9.908 1.00 0.00 S ATOM 65 CE MET A 12 73.632 7.090 -10.844 1.00 0.00 C ATOM 0 H MET A 12 74.238 3.073 -12.603 1.00 0.00 H new ATOM 0 HA MET A 12 75.700 1.327 -10.721 1.00 0.00 H new ATOM 0 HB2 MET A 12 75.482 3.198 -9.175 1.00 0.00 H new ATOM 0 HB3 MET A 12 76.154 3.723 -10.707 1.00 0.00 H new ATOM 0 HG2 MET A 12 73.777 4.434 -11.355 1.00 0.00 H new ATOM 0 HG3 MET A 12 73.335 4.157 -9.682 1.00 0.00 H new ATOM 0 HE1 MET A 12 73.874 8.140 -10.681 1.00 0.00 H new ATOM 0 HE2 MET A 12 73.722 6.857 -11.905 1.00 0.00 H new ATOM 0 HE3 MET A 12 72.610 6.898 -10.516 1.00 0.00 H new ATOM 75 N SER A 13 73.776 0.254 -9.569 1.00 0.00 N ATOM 76 CA SER A 13 72.635 -0.378 -8.826 1.00 0.00 C ATOM 77 C SER A 13 72.457 0.300 -7.466 1.00 0.00 C ATOM 78 O SER A 13 73.417 0.754 -6.866 1.00 0.00 O ATOM 79 CB SER A 13 73.014 -1.850 -8.643 1.00 0.00 C ATOM 80 OG SER A 13 74.280 -1.933 -8.002 1.00 0.00 O ATOM 0 H SER A 13 74.639 -0.289 -9.572 1.00 0.00 H new ATOM 0 HA SER A 13 71.695 -0.275 -9.368 1.00 0.00 H new ATOM 0 HB2 SER A 13 72.258 -2.361 -8.047 1.00 0.00 H new ATOM 0 HB3 SER A 13 73.050 -2.351 -9.610 1.00 0.00 H new ATOM 0 HG SER A 13 74.525 -2.874 -7.882 1.00 0.00 H new ATOM 86 N GLU A 14 71.237 0.364 -6.981 1.00 0.00 N ATOM 87 CA GLU A 14 70.952 1.127 -5.727 1.00 0.00 C ATOM 88 C GLU A 14 69.723 0.558 -5.009 1.00 0.00 C ATOM 89 O GLU A 14 68.836 0.000 -5.631 1.00 0.00 O ATOM 90 CB GLU A 14 70.683 2.559 -6.192 1.00 0.00 C ATOM 91 CG GLU A 14 70.630 3.491 -4.979 1.00 0.00 C ATOM 92 CD GLU A 14 70.233 4.897 -5.433 1.00 0.00 C ATOM 93 OE1 GLU A 14 70.995 5.498 -6.172 1.00 0.00 O ATOM 94 OE2 GLU A 14 69.172 5.349 -5.033 1.00 0.00 O ATOM 0 H GLU A 14 70.424 -0.083 -7.405 1.00 0.00 H new ATOM 0 HA GLU A 14 71.779 1.069 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 14 71.466 2.883 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.741 2.604 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 14 69.911 3.116 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 14 71.601 3.518 -4.485 1.00 0.00 H new ATOM 101 N LEU A 15 69.680 0.700 -3.703 1.00 0.00 N ATOM 102 CA LEU A 15 68.447 0.356 -2.928 1.00 0.00 C ATOM 103 C LEU A 15 68.037 1.542 -2.048 1.00 0.00 C ATOM 104 O LEU A 15 68.849 2.087 -1.319 1.00 0.00 O ATOM 105 CB LEU A 15 68.845 -0.844 -2.066 1.00 0.00 C ATOM 106 CG LEU A 15 67.603 -1.424 -1.388 1.00 0.00 C ATOM 107 CD1 LEU A 15 66.750 -2.157 -2.425 1.00 0.00 C ATOM 108 CD2 LEU A 15 68.032 -2.406 -0.295 1.00 0.00 C ATOM 0 H LEU A 15 70.456 1.043 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 15 67.598 0.128 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.324 -1.605 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.573 -0.539 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 15 67.020 -0.616 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 15 65.865 -2.570 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 15 66.445 -1.459 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 15 67.332 -2.965 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 15 67.148 -2.820 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 15 68.614 -3.213 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 15 68.640 -1.885 0.444 1.00 0.00 H new ATOM 120 N LYS A 16 66.786 1.940 -2.120 1.00 0.00 N ATOM 121 CA LYS A 16 66.286 3.054 -1.254 1.00 0.00 C ATOM 122 C LYS A 16 65.441 2.498 -0.106 1.00 0.00 C ATOM 123 O LYS A 16 64.561 1.680 -0.317 1.00 0.00 O ATOM 124 CB LYS A 16 65.429 3.927 -2.174 1.00 0.00 C ATOM 125 CG LYS A 16 66.317 4.949 -2.898 1.00 0.00 C ATOM 126 CD LYS A 16 65.507 6.212 -3.200 1.00 0.00 C ATOM 127 CE LYS A 16 66.340 7.161 -4.064 1.00 0.00 C ATOM 128 NZ LYS A 16 65.624 8.465 -4.000 1.00 0.00 N ATOM 0 H LYS A 16 66.088 1.537 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 16 67.103 3.618 -0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.909 3.303 -2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.665 4.443 -1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 16 67.180 5.198 -2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.700 4.521 -3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 16 64.584 5.949 -3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 16 65.223 6.705 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 16 67.358 7.250 -3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 16 66.413 6.800 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 66.135 9.170 -4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 64.660 8.351 -4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 65.576 8.787 -3.012 1.00 0.00 H new ATOM 142 N LEU A 17 65.704 2.950 1.100 1.00 0.00 N ATOM 143 CA LEU A 17 65.022 2.382 2.305 1.00 0.00 C ATOM 144 C LEU A 17 64.385 3.501 3.134 1.00 0.00 C ATOM 145 O LEU A 17 64.827 4.636 3.092 1.00 0.00 O ATOM 146 CB LEU A 17 66.134 1.700 3.104 1.00 0.00 C ATOM 147 CG LEU A 17 66.650 0.482 2.335 1.00 0.00 C ATOM 148 CD1 LEU A 17 68.063 0.139 2.811 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.724 -0.711 2.586 1.00 0.00 C ATOM 0 H LEU A 17 66.370 3.696 1.300 1.00 0.00 H new ATOM 0 HA LEU A 17 64.224 1.690 2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 17 66.949 2.401 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.758 1.393 4.080 1.00 0.00 H new ATOM 0 HG LEU A 17 66.670 0.708 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.431 -0.729 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.723 0.988 2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 17 68.043 -0.087 3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 17 66.092 -1.579 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.703 -0.937 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.717 -0.468 2.247 1.00 0.00 H new ATOM 161 N LYS A 18 63.352 3.181 3.882 1.00 0.00 N ATOM 162 CA LYS A 18 62.739 4.176 4.817 1.00 0.00 C ATOM 163 C LYS A 18 62.537 3.540 6.208 1.00 0.00 C ATOM 164 O LYS A 18 61.966 2.467 6.288 1.00 0.00 O ATOM 165 CB LYS A 18 61.388 4.522 4.190 1.00 0.00 C ATOM 166 CG LYS A 18 60.765 5.704 4.936 1.00 0.00 C ATOM 167 CD LYS A 18 59.253 5.715 4.703 1.00 0.00 C ATOM 168 CE LYS A 18 58.569 6.498 5.826 1.00 0.00 C ATOM 169 NZ LYS A 18 58.744 7.930 5.457 1.00 0.00 N ATOM 0 H LYS A 18 62.905 2.264 3.883 1.00 0.00 H new ATOM 0 HA LYS A 18 63.366 5.057 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.517 4.771 3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.723 3.659 4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.979 5.628 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.204 6.639 4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 18 59.026 6.169 3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 18 58.872 4.694 4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 18 57.514 6.236 5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 18 59.024 6.281 6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 58.301 8.532 6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 59.758 8.152 5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 58.295 8.108 4.536 1.00 0.00 H new ATOM 183 N PRO A 19 63.004 4.198 7.266 1.00 0.00 N ATOM 184 CA PRO A 19 62.746 3.686 8.642 1.00 0.00 C ATOM 185 C PRO A 19 61.285 3.931 9.034 1.00 0.00 C ATOM 186 O PRO A 19 60.720 4.963 8.715 1.00 0.00 O ATOM 187 CB PRO A 19 63.691 4.503 9.521 1.00 0.00 C ATOM 188 CG PRO A 19 63.924 5.769 8.767 1.00 0.00 C ATOM 189 CD PRO A 19 63.802 5.443 7.303 1.00 0.00 C ATOM 0 HA PRO A 19 62.913 2.613 8.737 1.00 0.00 H new ATOM 0 HB2 PRO A 19 63.249 4.701 10.497 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.626 3.971 9.696 1.00 0.00 H new ATOM 0 HG2 PRO A 19 63.196 6.528 9.054 1.00 0.00 H new ATOM 0 HG3 PRO A 19 64.911 6.174 8.990 1.00 0.00 H new ATOM 0 HD2 PRO A 19 63.309 6.247 6.757 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.781 5.301 6.845 1.00 0.00 H new ATOM 197 N LEU A 20 60.680 2.988 9.721 1.00 0.00 N ATOM 198 CA LEU A 20 59.264 3.164 10.191 1.00 0.00 C ATOM 199 C LEU A 20 59.144 4.009 11.496 1.00 0.00 C ATOM 200 O LEU A 20 58.320 4.908 11.494 1.00 0.00 O ATOM 201 CB LEU A 20 58.673 1.751 10.336 1.00 0.00 C ATOM 202 CG LEU A 20 58.564 1.099 8.956 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.467 -0.419 9.114 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.313 1.618 8.245 1.00 0.00 C ATOM 0 H LEU A 20 61.108 2.099 9.978 1.00 0.00 H new ATOM 0 HA LEU A 20 58.697 3.745 9.463 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.305 1.146 10.987 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.690 1.803 10.804 1.00 0.00 H new ATOM 0 HG LEU A 20 59.447 1.347 8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 20 58.389 -0.883 8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 20 59.358 -0.790 9.621 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.584 -0.668 9.703 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.234 1.154 7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.430 1.370 8.835 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.382 2.700 8.131 1.00 0.00 H new ATOM 216 N PRO A 21 59.912 3.758 12.577 1.00 0.00 N ATOM 217 CA PRO A 21 59.950 4.758 13.690 1.00 0.00 C ATOM 218 C PRO A 21 60.658 6.038 13.230 1.00 0.00 C ATOM 219 O PRO A 21 61.383 6.029 12.249 1.00 0.00 O ATOM 220 CB PRO A 21 60.743 4.066 14.801 1.00 0.00 C ATOM 221 CG PRO A 21 61.561 3.036 14.103 1.00 0.00 C ATOM 222 CD PRO A 21 60.766 2.591 12.911 1.00 0.00 C ATOM 0 HA PRO A 21 58.955 5.056 14.021 1.00 0.00 H new ATOM 0 HB2 PRO A 21 61.374 4.775 15.337 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.079 3.612 15.536 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.522 3.448 13.796 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.771 2.195 14.764 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.416 2.323 12.078 1.00 0.00 H new ATOM 0 HD3 PRO A 21 60.164 1.712 13.141 1.00 0.00 H new ATOM 230 N LYS A 22 60.448 7.128 13.934 1.00 0.00 N ATOM 231 CA LYS A 22 61.094 8.426 13.550 1.00 0.00 C ATOM 232 C LYS A 22 62.516 8.495 14.117 1.00 0.00 C ATOM 233 O LYS A 22 62.710 8.833 15.272 1.00 0.00 O ATOM 234 CB LYS A 22 60.219 9.523 14.167 1.00 0.00 C ATOM 235 CG LYS A 22 58.848 9.527 13.489 1.00 0.00 C ATOM 236 CD LYS A 22 58.010 10.684 14.037 1.00 0.00 C ATOM 237 CE LYS A 22 56.593 10.605 13.466 1.00 0.00 C ATOM 238 NZ LYS A 22 55.902 11.819 13.985 1.00 0.00 N ATOM 0 H LYS A 22 59.854 7.174 14.762 1.00 0.00 H new ATOM 0 HA LYS A 22 61.171 8.536 12.468 1.00 0.00 H new ATOM 0 HB2 LYS A 22 60.106 9.353 15.238 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.698 10.495 14.047 1.00 0.00 H new ATOM 0 HG2 LYS A 22 58.965 9.628 12.410 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.340 8.579 13.668 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.978 10.639 15.126 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.468 11.637 13.771 1.00 0.00 H new ATOM 0 HE2 LYS A 22 56.606 10.594 12.376 1.00 0.00 H new ATOM 0 HE3 LYS A 22 56.087 9.695 13.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 54.922 11.837 13.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 55.899 11.799 15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 56.402 12.670 13.657 1.00 0.00 H new ATOM 252 N VAL A 23 63.501 8.176 13.307 1.00 0.00 N ATOM 253 CA VAL A 23 64.924 8.215 13.771 1.00 0.00 C ATOM 254 C VAL A 23 65.845 8.655 12.621 1.00 0.00 C ATOM 255 O VAL A 23 65.641 8.279 11.480 1.00 0.00 O ATOM 256 CB VAL A 23 65.230 6.779 14.249 1.00 0.00 C ATOM 257 CG1 VAL A 23 65.103 5.771 13.097 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.649 6.715 14.824 1.00 0.00 C ATOM 0 H VAL A 23 63.377 7.888 12.336 1.00 0.00 H new ATOM 0 HA VAL A 23 65.088 8.934 14.574 1.00 0.00 H new ATOM 0 HB VAL A 23 64.504 6.518 15.019 1.00 0.00 H new ATOM 0 HG11 VAL A 23 65.324 4.769 13.464 1.00 0.00 H new ATOM 0 HG12 VAL A 23 64.088 5.796 12.702 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.807 6.031 12.306 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.860 5.700 15.160 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.367 6.999 14.054 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.731 7.401 15.667 1.00 0.00 H new ATOM 268 N GLU A 24 66.849 9.447 12.926 1.00 0.00 N ATOM 269 CA GLU A 24 67.835 9.878 11.886 1.00 0.00 C ATOM 270 C GLU A 24 69.206 9.257 12.171 1.00 0.00 C ATOM 271 O GLU A 24 69.855 9.604 13.143 1.00 0.00 O ATOM 272 CB GLU A 24 67.901 11.402 12.009 1.00 0.00 C ATOM 273 CG GLU A 24 66.570 12.010 11.562 1.00 0.00 C ATOM 274 CD GLU A 24 66.662 13.536 11.617 1.00 0.00 C ATOM 275 OE1 GLU A 24 66.602 14.075 12.710 1.00 0.00 O ATOM 276 OE2 GLU A 24 66.791 14.141 10.565 1.00 0.00 O ATOM 0 H GLU A 24 67.027 9.815 13.860 1.00 0.00 H new ATOM 0 HA GLU A 24 67.544 9.563 10.884 1.00 0.00 H new ATOM 0 HB2 GLU A 24 68.114 11.685 13.040 1.00 0.00 H new ATOM 0 HB3 GLU A 24 68.714 11.792 11.397 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.332 11.686 10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.764 11.660 12.207 1.00 0.00 H new ATOM 283 N LEU A 25 69.641 8.347 11.328 1.00 0.00 N ATOM 284 CA LEU A 25 70.940 7.639 11.565 1.00 0.00 C ATOM 285 C LEU A 25 72.082 8.361 10.822 1.00 0.00 C ATOM 286 O LEU A 25 71.956 8.602 9.635 1.00 0.00 O ATOM 287 CB LEU A 25 70.739 6.233 10.991 1.00 0.00 C ATOM 288 CG LEU A 25 69.711 5.478 11.837 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.176 4.284 11.044 1.00 0.00 C ATOM 290 CD2 LEU A 25 70.374 4.980 13.125 1.00 0.00 C ATOM 0 H LEU A 25 69.148 8.064 10.481 1.00 0.00 H new ATOM 0 HA LEU A 25 71.208 7.615 12.621 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.399 6.296 9.957 1.00 0.00 H new ATOM 0 HB3 LEU A 25 71.686 5.693 10.983 1.00 0.00 H new ATOM 0 HG LEU A 25 68.887 6.146 12.088 1.00 0.00 H new ATOM 0 HD11 LEU A 25 68.444 3.746 11.646 1.00 0.00 H new ATOM 0 HD12 LEU A 25 68.703 4.638 10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 25 70.000 3.616 10.792 1.00 0.00 H new ATOM 0 HD21 LEU A 25 69.641 4.442 13.727 1.00 0.00 H new ATOM 0 HD22 LEU A 25 71.199 4.312 12.875 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.755 5.830 13.691 1.00 0.00 H new ATOM 302 N PRO A 26 73.168 8.693 11.518 1.00 0.00 N ATOM 303 CA PRO A 26 74.335 9.356 10.851 1.00 0.00 C ATOM 304 C PRO A 26 74.893 8.502 9.689 1.00 0.00 C ATOM 305 O PRO A 26 74.556 7.338 9.580 1.00 0.00 O ATOM 306 CB PRO A 26 75.371 9.487 11.970 1.00 0.00 C ATOM 307 CG PRO A 26 74.575 9.443 13.229 1.00 0.00 C ATOM 308 CD PRO A 26 73.427 8.515 12.963 1.00 0.00 C ATOM 0 HA PRO A 26 74.062 10.312 10.404 1.00 0.00 H new ATOM 0 HB2 PRO A 26 76.099 8.676 11.933 1.00 0.00 H new ATOM 0 HB3 PRO A 26 75.929 10.420 11.886 1.00 0.00 H new ATOM 0 HG2 PRO A 26 75.181 9.085 14.061 1.00 0.00 H new ATOM 0 HG3 PRO A 26 74.218 10.437 13.499 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.682 7.482 13.201 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.554 8.774 13.562 1.00 0.00 H new ATOM 316 N PRO A 27 75.732 9.102 8.855 1.00 0.00 N ATOM 317 CA PRO A 27 76.189 8.431 7.598 1.00 0.00 C ATOM 318 C PRO A 27 77.059 7.188 7.865 1.00 0.00 C ATOM 319 O PRO A 27 77.363 6.458 6.939 1.00 0.00 O ATOM 320 CB PRO A 27 77.010 9.516 6.883 1.00 0.00 C ATOM 321 CG PRO A 27 76.611 10.795 7.540 1.00 0.00 C ATOM 322 CD PRO A 27 76.332 10.446 8.969 1.00 0.00 C ATOM 0 HA PRO A 27 75.345 8.062 7.015 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.080 9.335 6.988 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.793 9.536 5.815 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.405 11.538 7.466 1.00 0.00 H new ATOM 0 HG3 PRO A 27 75.730 11.222 7.062 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.241 10.435 9.570 1.00 0.00 H new ATOM 0 HD3 PRO A 27 75.650 11.157 9.435 1.00 0.00 H new ATOM 330 N ASP A 28 77.468 6.943 9.094 1.00 0.00 N ATOM 331 CA ASP A 28 78.287 5.717 9.390 1.00 0.00 C ATOM 332 C ASP A 28 77.399 4.462 9.406 1.00 0.00 C ATOM 333 O ASP A 28 77.847 3.377 9.072 1.00 0.00 O ATOM 334 CB ASP A 28 78.955 5.954 10.759 1.00 0.00 C ATOM 335 CG ASP A 28 77.904 6.178 11.856 1.00 0.00 C ATOM 336 OD1 ASP A 28 77.174 5.246 12.149 1.00 0.00 O ATOM 337 OD2 ASP A 28 77.852 7.278 12.382 1.00 0.00 O ATOM 0 H ASP A 28 77.271 7.536 9.900 1.00 0.00 H new ATOM 0 HA ASP A 28 79.042 5.550 8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.577 5.097 11.017 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.614 6.820 10.700 1.00 0.00 H new ATOM 342 N PHE A 29 76.144 4.605 9.784 1.00 0.00 N ATOM 343 CA PHE A 29 75.226 3.414 9.872 1.00 0.00 C ATOM 344 C PHE A 29 75.080 2.726 8.509 1.00 0.00 C ATOM 345 O PHE A 29 75.146 1.515 8.420 1.00 0.00 O ATOM 346 CB PHE A 29 73.871 3.956 10.347 1.00 0.00 C ATOM 347 CG PHE A 29 73.725 3.957 11.849 1.00 0.00 C ATOM 348 CD1 PHE A 29 74.206 5.062 12.615 1.00 0.00 C ATOM 349 CD2 PHE A 29 73.105 2.848 12.505 1.00 0.00 C ATOM 350 CE1 PHE A 29 74.067 5.060 14.038 1.00 0.00 C ATOM 351 CE2 PHE A 29 72.967 2.845 13.927 1.00 0.00 C ATOM 352 CZ PHE A 29 73.448 3.952 14.694 1.00 0.00 C ATOM 0 H PHE A 29 75.716 5.496 10.036 1.00 0.00 H new ATOM 0 HA PHE A 29 75.623 2.666 10.558 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.743 4.973 9.975 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.073 3.354 9.911 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.675 5.899 12.119 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.741 2.013 11.925 1.00 0.00 H new ATOM 0 HE1 PHE A 29 74.430 5.896 14.617 1.00 0.00 H new ATOM 0 HE2 PHE A 29 72.500 2.007 14.423 1.00 0.00 H new ATOM 0 HZ PHE A 29 73.343 3.950 15.769 1.00 0.00 H new ATOM 362 N VAL A 30 74.894 3.490 7.453 1.00 0.00 N ATOM 363 CA VAL A 30 74.553 2.885 6.115 1.00 0.00 C ATOM 364 C VAL A 30 75.662 1.915 5.658 1.00 0.00 C ATOM 365 O VAL A 30 75.390 0.922 5.005 1.00 0.00 O ATOM 366 CB VAL A 30 74.384 4.076 5.144 1.00 0.00 C ATOM 367 CG1 VAL A 30 75.704 4.841 4.975 1.00 0.00 C ATOM 368 CG2 VAL A 30 73.906 3.566 3.780 1.00 0.00 C ATOM 0 H VAL A 30 74.963 4.508 7.458 1.00 0.00 H new ATOM 0 HA VAL A 30 73.640 2.292 6.155 1.00 0.00 H new ATOM 0 HB VAL A 30 73.643 4.757 5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 30 75.557 5.673 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 30 76.029 5.223 5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.465 4.170 4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 30 73.788 4.408 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 30 74.640 2.870 3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 30 72.949 3.057 3.897 1.00 0.00 H new ATOM 378 N ASP A 31 76.896 2.204 6.009 1.00 0.00 N ATOM 379 CA ASP A 31 78.030 1.289 5.650 1.00 0.00 C ATOM 380 C ASP A 31 77.938 -0.004 6.464 1.00 0.00 C ATOM 381 O ASP A 31 78.140 -1.085 5.940 1.00 0.00 O ATOM 382 CB ASP A 31 79.315 2.049 6.000 1.00 0.00 C ATOM 383 CG ASP A 31 79.451 3.275 5.094 1.00 0.00 C ATOM 384 OD1 ASP A 31 79.233 3.134 3.901 1.00 0.00 O ATOM 385 OD2 ASP A 31 79.772 4.334 5.608 1.00 0.00 O ATOM 0 H ASP A 31 77.167 3.038 6.531 1.00 0.00 H new ATOM 0 HA ASP A 31 78.007 1.014 4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.293 2.358 7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 31 80.180 1.397 5.878 1.00 0.00 H new ATOM 390 N VAL A 32 77.625 0.105 7.738 1.00 0.00 N ATOM 391 CA VAL A 32 77.572 -1.112 8.621 1.00 0.00 C ATOM 392 C VAL A 32 76.381 -1.991 8.207 1.00 0.00 C ATOM 393 O VAL A 32 76.483 -3.205 8.178 1.00 0.00 O ATOM 394 CB VAL A 32 77.414 -0.597 10.068 1.00 0.00 C ATOM 395 CG1 VAL A 32 77.389 -1.774 11.050 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.590 0.317 10.433 1.00 0.00 C ATOM 0 H VAL A 32 77.404 0.984 8.205 1.00 0.00 H new ATOM 0 HA VAL A 32 78.471 -1.722 8.535 1.00 0.00 H new ATOM 0 HB VAL A 32 76.478 -0.042 10.132 1.00 0.00 H new ATOM 0 HG11 VAL A 32 77.277 -1.397 12.067 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.551 -2.429 10.812 1.00 0.00 H new ATOM 0 HG13 VAL A 32 78.321 -2.334 10.971 1.00 0.00 H new ATOM 0 HG21 VAL A 32 78.469 0.675 11.455 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.523 -0.241 10.352 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.615 1.167 9.752 1.00 0.00 H new ATOM 406 N ILE A 33 75.260 -1.381 7.884 1.00 0.00 N ATOM 407 CA ILE A 33 74.062 -2.159 7.405 1.00 0.00 C ATOM 408 C ILE A 33 74.393 -2.870 6.079 1.00 0.00 C ATOM 409 O ILE A 33 74.046 -4.022 5.889 1.00 0.00 O ATOM 410 CB ILE A 33 72.930 -1.118 7.226 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.599 -0.444 8.578 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.661 -1.774 6.656 1.00 0.00 C ATOM 413 CD1 ILE A 33 72.130 -1.471 9.624 1.00 0.00 C ATOM 0 H ILE A 33 75.121 -0.372 7.931 1.00 0.00 H new ATOM 0 HA ILE A 33 73.764 -2.936 8.109 1.00 0.00 H new ATOM 0 HB ILE A 33 73.280 -0.364 6.522 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.480 0.078 8.950 1.00 0.00 H new ATOM 0 HG13 ILE A 33 71.822 0.306 8.430 1.00 0.00 H new ATOM 0 HG21 ILE A 33 70.882 -1.020 6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 33 71.885 -2.216 5.685 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.315 -2.551 7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.907 -0.960 10.561 1.00 0.00 H new ATOM 0 HD12 ILE A 33 71.233 -1.975 9.263 1.00 0.00 H new ATOM 0 HD13 ILE A 33 72.917 -2.206 9.790 1.00 0.00 H new ATOM 425 N ARG A 34 75.061 -2.187 5.174 1.00 0.00 N ATOM 426 CA ARG A 34 75.449 -2.811 3.856 1.00 0.00 C ATOM 427 C ARG A 34 76.318 -4.061 4.068 1.00 0.00 C ATOM 428 O ARG A 34 76.143 -5.059 3.393 1.00 0.00 O ATOM 429 CB ARG A 34 76.247 -1.738 3.105 1.00 0.00 C ATOM 430 CG ARG A 34 76.446 -2.172 1.651 1.00 0.00 C ATOM 431 CD ARG A 34 77.275 -1.116 0.911 1.00 0.00 C ATOM 432 NE ARG A 34 78.665 -1.226 1.471 1.00 0.00 N ATOM 433 CZ ARG A 34 79.531 -0.227 1.414 1.00 0.00 C ATOM 434 NH1 ARG A 34 79.249 0.926 0.848 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.716 -0.397 1.933 1.00 0.00 N ATOM 0 H ARG A 34 75.357 -1.218 5.290 1.00 0.00 H new ATOM 0 HA ARG A 34 74.567 -3.130 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.719 -0.785 3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.213 -1.586 3.586 1.00 0.00 H new ATOM 0 HG2 ARG A 34 76.951 -3.137 1.614 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.480 -2.299 1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.270 -1.297 -0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.867 -0.117 1.068 1.00 0.00 H new ATOM 0 HE ARG A 34 78.951 -2.101 1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.331 1.078 0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 34 79.948 1.668 0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.958 -1.286 2.371 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.400 0.359 1.901 1.00 0.00 H new ATOM 449 N ILE A 35 77.243 -4.007 5.002 1.00 0.00 N ATOM 450 CA ILE A 35 78.141 -5.186 5.271 1.00 0.00 C ATOM 451 C ILE A 35 77.314 -6.360 5.826 1.00 0.00 C ATOM 452 O ILE A 35 77.517 -7.499 5.442 1.00 0.00 O ATOM 453 CB ILE A 35 79.185 -4.697 6.300 1.00 0.00 C ATOM 454 CG1 ILE A 35 80.011 -3.556 5.696 1.00 0.00 C ATOM 455 CG2 ILE A 35 80.138 -5.835 6.688 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.742 -2.808 6.813 1.00 0.00 C ATOM 0 H ILE A 35 77.417 -3.194 5.593 1.00 0.00 H new ATOM 0 HA ILE A 35 78.630 -5.546 4.366 1.00 0.00 H new ATOM 0 HB ILE A 35 78.653 -4.352 7.187 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.730 -3.953 4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.361 -2.872 5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.865 -5.469 7.413 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.568 -6.654 7.127 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.659 -6.192 5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.330 -1.997 6.384 1.00 0.00 H new ATOM 0 HD12 ILE A 35 80.014 -2.398 7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.404 -3.496 7.339 1.00 0.00 H new ATOM 468 N LYS A 36 76.397 -6.083 6.724 1.00 0.00 N ATOM 469 CA LYS A 36 75.532 -7.169 7.302 1.00 0.00 C ATOM 470 C LYS A 36 74.626 -7.782 6.226 1.00 0.00 C ATOM 471 O LYS A 36 74.459 -8.988 6.169 1.00 0.00 O ATOM 472 CB LYS A 36 74.682 -6.497 8.387 1.00 0.00 C ATOM 473 CG LYS A 36 75.587 -6.028 9.529 1.00 0.00 C ATOM 474 CD LYS A 36 74.731 -5.433 10.648 1.00 0.00 C ATOM 475 CE LYS A 36 75.641 -4.846 11.730 1.00 0.00 C ATOM 476 NZ LYS A 36 76.011 -6.005 12.590 1.00 0.00 N ATOM 0 H LYS A 36 76.208 -5.148 7.085 1.00 0.00 H new ATOM 0 HA LYS A 36 76.139 -7.980 7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 36 74.141 -5.649 7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 36 73.936 -7.196 8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 36 76.172 -6.865 9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 36 76.295 -5.284 9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 36 74.078 -4.658 10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 36 74.088 -6.202 11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 36 76.524 -4.380 11.293 1.00 0.00 H new ATOM 0 HE3 LYS A 36 75.126 -4.076 12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 76.594 -5.675 13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 75.148 -6.455 12.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 76.550 -6.695 12.029 1.00 0.00 H new ATOM 490 N LEU A 37 74.049 -6.960 5.379 1.00 0.00 N ATOM 491 CA LEU A 37 72.941 -7.430 4.484 1.00 0.00 C ATOM 492 C LEU A 37 73.476 -7.963 3.149 1.00 0.00 C ATOM 493 O LEU A 37 72.871 -8.832 2.548 1.00 0.00 O ATOM 494 CB LEU A 37 72.062 -6.199 4.248 1.00 0.00 C ATOM 495 CG LEU A 37 71.195 -5.945 5.482 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.662 -4.512 5.443 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.019 -6.925 5.491 1.00 0.00 C ATOM 0 H LEU A 37 74.300 -5.978 5.269 1.00 0.00 H new ATOM 0 HA LEU A 37 72.392 -8.253 4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 37 72.685 -5.328 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.431 -6.352 3.373 1.00 0.00 H new ATOM 0 HG LEU A 37 71.794 -6.087 6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.044 -4.330 6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.498 -3.813 5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 37 70.064 -4.371 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.401 -6.744 6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.420 -6.783 4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.397 -7.947 5.517 1.00 0.00 H new ATOM 509 N GLN A 38 74.599 -7.450 2.680 1.00 0.00 N ATOM 510 CA GLN A 38 75.118 -7.809 1.304 1.00 0.00 C ATOM 511 C GLN A 38 75.181 -9.331 1.079 1.00 0.00 C ATOM 512 O GLN A 38 75.427 -10.092 1.999 1.00 0.00 O ATOM 513 CB GLN A 38 76.528 -7.194 1.196 1.00 0.00 C ATOM 514 CG GLN A 38 77.442 -7.709 2.317 1.00 0.00 C ATOM 515 CD GLN A 38 78.905 -7.591 1.884 1.00 0.00 C ATOM 516 OE1 GLN A 38 79.497 -8.552 1.434 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.517 -6.445 2.000 1.00 0.00 N ATOM 0 H GLN A 38 75.185 -6.792 3.194 1.00 0.00 H new ATOM 0 HA GLN A 38 74.443 -7.421 0.541 1.00 0.00 H new ATOM 0 HB2 GLN A 38 76.962 -7.439 0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.459 -6.107 1.249 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.275 -7.135 3.228 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.203 -8.748 2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 38 79.021 -5.638 2.378 1.00 0.00 H new ATOM 0 HE22 GLN A 38 80.492 -6.356 1.713 1.00 0.00 H new ATOM 526 N GLY A 39 74.958 -9.761 -0.143 1.00 0.00 N ATOM 527 CA GLY A 39 74.850 -11.224 -0.444 1.00 0.00 C ATOM 528 C GLY A 39 73.379 -11.665 -0.466 1.00 0.00 C ATOM 529 O GLY A 39 73.037 -12.626 -1.133 1.00 0.00 O ATOM 0 H GLY A 39 74.845 -9.151 -0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.314 -11.438 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.396 -11.796 0.306 1.00 0.00 H new ATOM 533 N LYS A 40 72.514 -10.977 0.251 1.00 0.00 N ATOM 534 CA LYS A 40 71.051 -11.297 0.204 1.00 0.00 C ATOM 535 C LYS A 40 70.371 -10.495 -0.910 1.00 0.00 C ATOM 536 O LYS A 40 70.850 -9.445 -1.301 1.00 0.00 O ATOM 537 CB LYS A 40 70.496 -10.888 1.572 1.00 0.00 C ATOM 538 CG LYS A 40 71.077 -11.801 2.654 1.00 0.00 C ATOM 539 CD LYS A 40 70.428 -11.474 4.001 1.00 0.00 C ATOM 540 CE LYS A 40 71.094 -12.301 5.103 1.00 0.00 C ATOM 541 NZ LYS A 40 70.284 -12.033 6.324 1.00 0.00 N ATOM 0 H LYS A 40 72.763 -10.204 0.869 1.00 0.00 H new ATOM 0 HA LYS A 40 70.872 -12.352 -0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.750 -9.849 1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.408 -10.956 1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 40 70.900 -12.845 2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.157 -11.667 2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 40 70.531 -10.411 4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 40 69.360 -11.690 3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 40 71.095 -13.362 4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 40 72.133 -12.006 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 70.678 -12.565 7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 70.307 -11.016 6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 69.301 -12.330 6.161 1.00 0.00 H new ATOM 555 N THR A 41 69.264 -10.992 -1.416 1.00 0.00 N ATOM 556 CA THR A 41 68.531 -10.281 -2.510 1.00 0.00 C ATOM 557 C THR A 41 67.358 -9.486 -1.932 1.00 0.00 C ATOM 558 O THR A 41 66.752 -9.887 -0.954 1.00 0.00 O ATOM 559 CB THR A 41 68.025 -11.392 -3.433 1.00 0.00 C ATOM 560 OG1 THR A 41 69.097 -12.268 -3.748 1.00 0.00 O ATOM 561 CG2 THR A 41 67.473 -10.776 -4.720 1.00 0.00 C ATOM 0 H THR A 41 68.836 -11.867 -1.114 1.00 0.00 H new ATOM 0 HA THR A 41 69.165 -9.569 -3.038 1.00 0.00 H new ATOM 0 HB THR A 41 67.234 -11.950 -2.931 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.774 -12.981 -4.338 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.113 -11.568 -5.377 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.650 -10.103 -4.478 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.262 -10.218 -5.224 1.00 0.00 H new ATOM 569 N VAL A 42 67.041 -8.364 -2.539 1.00 0.00 N ATOM 570 CA VAL A 42 65.965 -7.469 -2.002 1.00 0.00 C ATOM 571 C VAL A 42 64.983 -7.085 -3.116 1.00 0.00 C ATOM 572 O VAL A 42 65.374 -6.901 -4.257 1.00 0.00 O ATOM 573 CB VAL A 42 66.681 -6.222 -1.448 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.573 -6.625 -0.271 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.546 -5.553 -2.529 1.00 0.00 C ATOM 0 H VAL A 42 67.487 -8.028 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 42 65.384 -7.965 -1.225 1.00 0.00 H new ATOM 0 HB VAL A 42 65.922 -5.511 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 42 68.079 -5.743 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 42 66.961 -7.070 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.315 -7.349 -0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 42 68.039 -4.676 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.298 -6.259 -2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.915 -5.249 -3.364 1.00 0.00 H new ATOM 585 N ARG A 43 63.716 -6.971 -2.780 1.00 0.00 N ATOM 586 CA ARG A 43 62.695 -6.485 -3.756 1.00 0.00 C ATOM 587 C ARG A 43 61.763 -5.474 -3.081 1.00 0.00 C ATOM 588 O ARG A 43 61.504 -5.560 -1.893 1.00 0.00 O ATOM 589 CB ARG A 43 61.914 -7.734 -4.169 1.00 0.00 C ATOM 590 CG ARG A 43 62.820 -8.660 -4.982 1.00 0.00 C ATOM 591 CD ARG A 43 62.018 -9.871 -5.464 1.00 0.00 C ATOM 592 NE ARG A 43 61.686 -10.639 -4.221 1.00 0.00 N ATOM 593 CZ ARG A 43 62.575 -11.393 -3.596 1.00 0.00 C ATOM 594 NH1 ARG A 43 63.814 -11.525 -4.018 1.00 0.00 N ATOM 595 NH2 ARG A 43 62.209 -12.030 -2.518 1.00 0.00 N ATOM 0 H ARG A 43 63.346 -7.198 -1.857 1.00 0.00 H new ATOM 0 HA ARG A 43 63.147 -5.985 -4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 43 61.545 -8.254 -3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 43 61.042 -7.452 -4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 43 63.234 -8.123 -5.835 1.00 0.00 H new ATOM 0 HG3 ARG A 43 63.662 -8.988 -4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 43 61.114 -9.562 -5.989 1.00 0.00 H new ATOM 0 HD3 ARG A 43 62.599 -10.477 -6.159 1.00 0.00 H new ATOM 0 HE ARG A 43 60.740 -10.578 -3.843 1.00 0.00 H new ATOM 0 HH11 ARG A 43 64.122 -11.035 -4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 43 64.467 -12.117 -3.505 1.00 0.00 H new ATOM 0 HH21 ARG A 43 61.253 -11.941 -2.173 1.00 0.00 H new ATOM 0 HH22 ARG A 43 62.879 -12.617 -2.020 1.00 0.00 H new ATOM 609 N THR A 44 61.254 -4.521 -3.834 1.00 0.00 N ATOM 610 CA THR A 44 60.374 -3.445 -3.245 1.00 0.00 C ATOM 611 C THR A 44 59.173 -4.046 -2.496 1.00 0.00 C ATOM 612 O THR A 44 58.559 -4.991 -2.960 1.00 0.00 O ATOM 613 CB THR A 44 59.879 -2.617 -4.438 1.00 0.00 C ATOM 614 OG1 THR A 44 60.981 -2.285 -5.270 1.00 0.00 O ATOM 615 CG2 THR A 44 59.214 -1.334 -3.935 1.00 0.00 C ATOM 0 H THR A 44 61.410 -4.440 -4.839 1.00 0.00 H new ATOM 0 HA THR A 44 60.927 -2.846 -2.522 1.00 0.00 H new ATOM 0 HB THR A 44 59.154 -3.199 -5.007 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.759 -1.496 -5.807 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.864 -0.748 -4.785 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.368 -1.589 -3.297 1.00 0.00 H new ATOM 0 HG23 THR A 44 59.936 -0.750 -3.365 1.00 0.00 H new ATOM 623 N GLY A 45 58.849 -3.499 -1.345 1.00 0.00 N ATOM 624 CA GLY A 45 57.650 -3.963 -0.579 1.00 0.00 C ATOM 625 C GLY A 45 58.046 -4.937 0.543 1.00 0.00 C ATOM 626 O GLY A 45 57.268 -5.161 1.454 1.00 0.00 O ATOM 0 H GLY A 45 59.371 -2.743 -0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.134 -3.103 -0.152 1.00 0.00 H new ATOM 0 HA3 GLY A 45 56.949 -4.451 -1.257 1.00 0.00 H new ATOM 630 N ASP A 46 59.234 -5.515 0.493 1.00 0.00 N ATOM 631 CA ASP A 46 59.693 -6.420 1.605 1.00 0.00 C ATOM 632 C ASP A 46 59.839 -5.638 2.915 1.00 0.00 C ATOM 633 O ASP A 46 60.107 -4.450 2.903 1.00 0.00 O ATOM 634 CB ASP A 46 61.058 -6.970 1.174 1.00 0.00 C ATOM 635 CG ASP A 46 60.887 -7.937 -0.001 1.00 0.00 C ATOM 636 OD1 ASP A 46 59.936 -8.703 0.013 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.717 -7.899 -0.893 1.00 0.00 O ATOM 0 H ASP A 46 59.902 -5.398 -0.269 1.00 0.00 H new ATOM 0 HA ASP A 46 58.971 -7.218 1.780 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.716 -6.149 0.887 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.533 -7.482 2.011 1.00 0.00 H new ATOM 642 N VAL A 47 59.663 -6.304 4.034 1.00 0.00 N ATOM 643 CA VAL A 47 59.852 -5.643 5.365 1.00 0.00 C ATOM 644 C VAL A 47 60.691 -6.559 6.266 1.00 0.00 C ATOM 645 O VAL A 47 60.400 -7.735 6.401 1.00 0.00 O ATOM 646 CB VAL A 47 58.433 -5.443 5.938 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.506 -4.746 7.303 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.599 -4.569 4.992 1.00 0.00 C ATOM 0 H VAL A 47 59.394 -7.287 4.081 1.00 0.00 H new ATOM 0 HA VAL A 47 60.375 -4.690 5.292 1.00 0.00 H new ATOM 0 HB VAL A 47 57.969 -6.423 6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.499 -4.611 7.697 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.086 -5.358 7.993 1.00 0.00 H new ATOM 0 HG13 VAL A 47 58.985 -3.773 7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.600 -4.435 5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 47 58.078 -3.597 4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.526 -5.054 4.019 1.00 0.00 H new ATOM 658 N ILE A 48 61.724 -6.021 6.876 1.00 0.00 N ATOM 659 CA ILE A 48 62.612 -6.846 7.761 1.00 0.00 C ATOM 660 C ILE A 48 62.962 -6.070 9.036 1.00 0.00 C ATOM 661 O ILE A 48 63.012 -4.852 9.030 1.00 0.00 O ATOM 662 CB ILE A 48 63.876 -7.169 6.937 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.589 -5.883 6.468 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.487 -8.010 5.717 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.576 -5.392 7.539 1.00 0.00 C ATOM 0 H ILE A 48 61.991 -5.040 6.798 1.00 0.00 H new ATOM 0 HA ILE A 48 62.118 -7.764 8.078 1.00 0.00 H new ATOM 0 HB ILE A 48 64.564 -7.725 7.574 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.121 -6.074 5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 48 63.852 -5.107 6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.379 -8.239 5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.022 -8.938 6.048 1.00 0.00 H new ATOM 0 HG23 ILE A 48 62.783 -7.452 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.069 -4.485 7.191 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.036 -5.180 8.462 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.324 -6.163 7.725 1.00 0.00 H new ATOM 677 N GLY A 49 63.202 -6.774 10.121 1.00 0.00 N ATOM 678 CA GLY A 49 63.519 -6.105 11.421 1.00 0.00 C ATOM 679 C GLY A 49 65.000 -6.299 11.754 1.00 0.00 C ATOM 680 O GLY A 49 65.554 -7.363 11.535 1.00 0.00 O ATOM 0 H GLY A 49 63.191 -7.793 10.158 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.286 -5.042 11.360 1.00 0.00 H new ATOM 0 HA3 GLY A 49 62.900 -6.522 12.216 1.00 0.00 H new ATOM 684 N ILE A 50 65.636 -5.276 12.279 1.00 0.00 N ATOM 685 CA ILE A 50 67.065 -5.394 12.718 1.00 0.00 C ATOM 686 C ILE A 50 67.170 -5.015 14.202 1.00 0.00 C ATOM 687 O ILE A 50 66.587 -4.038 14.638 1.00 0.00 O ATOM 688 CB ILE A 50 67.858 -4.411 11.829 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.714 -4.806 10.352 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.347 -4.445 12.201 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.219 -3.667 9.462 1.00 0.00 C ATOM 0 H ILE A 50 65.221 -4.355 12.423 1.00 0.00 H new ATOM 0 HA ILE A 50 67.456 -6.406 12.615 1.00 0.00 H new ATOM 0 HB ILE A 50 67.461 -3.408 11.987 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.281 -5.715 10.152 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.671 -5.024 10.124 1.00 0.00 H new ATOM 0 HG21 ILE A 50 69.896 -3.748 11.568 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.468 -4.158 13.246 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.736 -5.453 12.054 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.115 -3.950 8.415 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.633 -2.768 9.654 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.268 -3.471 9.683 1.00 0.00 H new ATOM 703 N SER A 51 67.901 -5.791 14.970 1.00 0.00 N ATOM 704 CA SER A 51 68.216 -5.399 16.381 1.00 0.00 C ATOM 705 C SER A 51 69.516 -4.590 16.427 1.00 0.00 C ATOM 706 O SER A 51 70.564 -5.078 16.040 1.00 0.00 O ATOM 707 CB SER A 51 68.383 -6.718 17.140 1.00 0.00 C ATOM 708 OG SER A 51 68.704 -6.443 18.496 1.00 0.00 O ATOM 0 H SER A 51 68.295 -6.685 14.677 1.00 0.00 H new ATOM 0 HA SER A 51 67.434 -4.777 16.816 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.464 -7.302 17.083 1.00 0.00 H new ATOM 0 HB3 SER A 51 69.170 -7.317 16.682 1.00 0.00 H new ATOM 0 HG SER A 51 68.810 -7.286 18.985 1.00 0.00 H new ATOM 714 N ILE A 52 69.449 -3.364 16.897 1.00 0.00 N ATOM 715 CA ILE A 52 70.675 -2.504 16.989 1.00 0.00 C ATOM 716 C ILE A 52 70.816 -1.968 18.422 1.00 0.00 C ATOM 717 O ILE A 52 69.917 -1.335 18.945 1.00 0.00 O ATOM 718 CB ILE A 52 70.457 -1.355 15.980 1.00 0.00 C ATOM 719 CG1 ILE A 52 70.281 -1.920 14.562 1.00 0.00 C ATOM 720 CG2 ILE A 52 71.669 -0.413 15.981 1.00 0.00 C ATOM 721 CD1 ILE A 52 69.742 -0.828 13.635 1.00 0.00 C ATOM 0 H ILE A 52 68.591 -2.920 17.223 1.00 0.00 H new ATOM 0 HA ILE A 52 71.589 -3.052 16.759 1.00 0.00 H new ATOM 0 HB ILE A 52 69.561 -0.809 16.275 1.00 0.00 H new ATOM 0 HG12 ILE A 52 71.235 -2.291 14.187 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.595 -2.767 14.580 1.00 0.00 H new ATOM 0 HG21 ILE A 52 71.504 0.393 15.266 1.00 0.00 H new ATOM 0 HG22 ILE A 52 71.802 0.008 16.978 1.00 0.00 H new ATOM 0 HG23 ILE A 52 72.563 -0.970 15.700 1.00 0.00 H new ATOM 0 HD11 ILE A 52 69.618 -1.232 12.630 1.00 0.00 H new ATOM 0 HD12 ILE A 52 68.779 -0.478 14.006 1.00 0.00 H new ATOM 0 HD13 ILE A 52 70.444 0.005 13.607 1.00 0.00 H new ATOM 733 N LEU A 53 71.947 -2.223 19.055 1.00 0.00 N ATOM 734 CA LEU A 53 72.236 -1.684 20.435 1.00 0.00 C ATOM 735 C LEU A 53 71.092 -1.984 21.418 1.00 0.00 C ATOM 736 O LEU A 53 70.824 -1.209 22.321 1.00 0.00 O ATOM 737 CB LEU A 53 72.415 -0.169 20.261 1.00 0.00 C ATOM 738 CG LEU A 53 73.664 0.108 19.422 1.00 0.00 C ATOM 739 CD1 LEU A 53 73.676 1.577 18.996 1.00 0.00 C ATOM 740 CD2 LEU A 53 74.914 -0.191 20.252 1.00 0.00 C ATOM 0 H LEU A 53 72.697 -2.794 18.665 1.00 0.00 H new ATOM 0 HA LEU A 53 73.124 -2.155 20.856 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.537 0.258 19.776 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.506 0.311 21.235 1.00 0.00 H new ATOM 0 HG LEU A 53 73.655 -0.528 18.537 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.566 1.775 18.398 1.00 0.00 H new ATOM 0 HD12 LEU A 53 72.786 1.792 18.404 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.685 2.213 19.881 1.00 0.00 H new ATOM 0 HD21 LEU A 53 75.804 0.006 19.654 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.923 0.445 21.137 1.00 0.00 H new ATOM 0 HD23 LEU A 53 74.907 -1.237 20.557 1.00 0.00 H new ATOM 752 N GLY A 54 70.425 -3.103 21.240 1.00 0.00 N ATOM 753 CA GLY A 54 69.323 -3.500 22.171 1.00 0.00 C ATOM 754 C GLY A 54 68.039 -2.717 21.855 1.00 0.00 C ATOM 755 O GLY A 54 67.194 -2.555 22.719 1.00 0.00 O ATOM 0 H GLY A 54 70.601 -3.762 20.482 1.00 0.00 H new ATOM 0 HA2 GLY A 54 69.134 -4.570 22.084 1.00 0.00 H new ATOM 0 HA3 GLY A 54 69.625 -3.313 23.201 1.00 0.00 H new ATOM 759 N LYS A 55 67.884 -2.233 20.637 1.00 0.00 N ATOM 760 CA LYS A 55 66.647 -1.480 20.260 1.00 0.00 C ATOM 761 C LYS A 55 66.071 -2.037 18.955 1.00 0.00 C ATOM 762 O LYS A 55 66.781 -2.174 17.974 1.00 0.00 O ATOM 763 CB LYS A 55 67.105 -0.033 20.069 1.00 0.00 C ATOM 764 CG LYS A 55 67.527 0.554 21.418 1.00 0.00 C ATOM 765 CD LYS A 55 67.755 2.060 21.274 1.00 0.00 C ATOM 766 CE LYS A 55 69.059 2.311 20.514 1.00 0.00 C ATOM 767 NZ LYS A 55 68.888 3.653 19.890 1.00 0.00 N ATOM 0 H LYS A 55 68.569 -2.331 19.888 1.00 0.00 H new ATOM 0 HA LYS A 55 65.866 -1.562 21.016 1.00 0.00 H new ATOM 0 HB2 LYS A 55 67.938 0.006 19.367 1.00 0.00 H new ATOM 0 HB3 LYS A 55 66.298 0.561 19.639 1.00 0.00 H new ATOM 0 HG2 LYS A 55 66.758 0.362 22.166 1.00 0.00 H new ATOM 0 HG3 LYS A 55 68.439 0.070 21.767 1.00 0.00 H new ATOM 0 HD2 LYS A 55 66.919 2.515 20.743 1.00 0.00 H new ATOM 0 HD3 LYS A 55 67.800 2.527 22.258 1.00 0.00 H new ATOM 0 HE2 LYS A 55 69.917 2.294 21.186 1.00 0.00 H new ATOM 0 HE3 LYS A 55 69.230 1.543 19.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 69.743 3.896 19.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 68.068 3.637 19.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 68.734 4.364 20.633 1.00 0.00 H new ATOM 781 N GLU A 56 64.796 -2.357 18.946 1.00 0.00 N ATOM 782 CA GLU A 56 64.159 -2.933 17.716 1.00 0.00 C ATOM 783 C GLU A 56 63.801 -1.817 16.730 1.00 0.00 C ATOM 784 O GLU A 56 63.114 -0.874 17.079 1.00 0.00 O ATOM 785 CB GLU A 56 62.889 -3.640 18.202 1.00 0.00 C ATOM 786 CG GLU A 56 62.307 -4.482 17.064 1.00 0.00 C ATOM 787 CD GLU A 56 60.981 -5.100 17.513 1.00 0.00 C ATOM 788 OE1 GLU A 56 60.935 -5.621 18.615 1.00 0.00 O ATOM 789 OE2 GLU A 56 60.034 -5.042 16.746 1.00 0.00 O ATOM 0 H GLU A 56 64.167 -2.243 19.741 1.00 0.00 H new ATOM 0 HA GLU A 56 64.830 -3.618 17.197 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.118 -4.275 19.058 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.156 -2.906 18.537 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.151 -3.862 16.181 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.009 -5.267 16.782 1.00 0.00 H new ATOM 796 N VAL A 57 64.268 -1.926 15.505 1.00 0.00 N ATOM 797 CA VAL A 57 63.868 -0.955 14.435 1.00 0.00 C ATOM 798 C VAL A 57 63.352 -1.719 13.204 1.00 0.00 C ATOM 799 O VAL A 57 63.976 -2.659 12.745 1.00 0.00 O ATOM 800 CB VAL A 57 65.142 -0.135 14.124 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.286 -1.045 13.657 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.850 0.901 13.031 1.00 0.00 C ATOM 0 H VAL A 57 64.915 -2.653 15.200 1.00 0.00 H new ATOM 0 HA VAL A 57 63.057 -0.295 14.744 1.00 0.00 H new ATOM 0 HB VAL A 57 65.444 0.369 15.042 1.00 0.00 H new ATOM 0 HG11 VAL A 57 67.168 -0.441 13.446 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.519 -1.767 14.440 1.00 0.00 H new ATOM 0 HG13 VAL A 57 65.984 -1.575 12.753 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.754 1.472 12.820 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.523 0.391 12.125 1.00 0.00 H new ATOM 0 HG23 VAL A 57 64.065 1.576 13.370 1.00 0.00 H new ATOM 812 N LYS A 58 62.215 -1.313 12.683 1.00 0.00 N ATOM 813 CA LYS A 58 61.668 -1.941 11.439 1.00 0.00 C ATOM 814 C LYS A 58 62.051 -1.111 10.211 1.00 0.00 C ATOM 815 O LYS A 58 61.903 0.099 10.207 1.00 0.00 O ATOM 816 CB LYS A 58 60.149 -1.942 11.627 1.00 0.00 C ATOM 817 CG LYS A 58 59.772 -2.906 12.754 1.00 0.00 C ATOM 818 CD LYS A 58 58.248 -2.989 12.865 1.00 0.00 C ATOM 819 CE LYS A 58 57.870 -3.856 14.068 1.00 0.00 C ATOM 820 NZ LYS A 58 56.381 -3.889 14.064 1.00 0.00 N ATOM 0 H LYS A 58 61.639 -0.566 13.072 1.00 0.00 H new ATOM 0 HA LYS A 58 62.062 -2.945 11.281 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.801 -0.936 11.863 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.658 -2.240 10.701 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.187 -3.894 12.556 1.00 0.00 H new ATOM 0 HG3 LYS A 58 60.198 -2.564 13.697 1.00 0.00 H new ATOM 0 HD2 LYS A 58 57.826 -1.990 12.976 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.829 -3.412 11.952 1.00 0.00 H new ATOM 0 HE2 LYS A 58 58.288 -4.859 13.979 1.00 0.00 H new ATOM 0 HE3 LYS A 58 58.253 -3.432 14.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 56.044 -4.466 14.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 56.012 -2.921 14.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 56.045 -4.303 13.171 1.00 0.00 H new ATOM 834 N PHE A 59 62.539 -1.758 9.175 1.00 0.00 N ATOM 835 CA PHE A 59 62.875 -1.041 7.906 1.00 0.00 C ATOM 836 C PHE A 59 62.008 -1.566 6.758 1.00 0.00 C ATOM 837 O PHE A 59 61.884 -2.764 6.571 1.00 0.00 O ATOM 838 CB PHE A 59 64.346 -1.363 7.643 1.00 0.00 C ATOM 839 CG PHE A 59 65.307 -0.577 8.504 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.625 0.776 8.168 1.00 0.00 C ATOM 841 CD2 PHE A 59 65.907 -1.189 9.647 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.541 1.517 8.979 1.00 0.00 C ATOM 843 CE2 PHE A 59 66.824 -0.449 10.455 1.00 0.00 C ATOM 844 CZ PHE A 59 67.140 0.903 10.122 1.00 0.00 C ATOM 0 H PHE A 59 62.719 -2.762 9.158 1.00 0.00 H new ATOM 0 HA PHE A 59 62.697 0.032 7.982 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.511 -2.427 7.810 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.569 -1.167 6.594 1.00 0.00 H new ATOM 0 HD1 PHE A 59 65.174 1.238 7.302 1.00 0.00 H new ATOM 0 HD2 PHE A 59 65.667 -2.211 9.900 1.00 0.00 H new ATOM 0 HE1 PHE A 59 66.780 2.540 8.728 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.278 -0.913 11.318 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.832 1.462 10.734 1.00 0.00 H new ATOM 854 N LYS A 60 61.413 -0.674 5.998 1.00 0.00 N ATOM 855 CA LYS A 60 60.664 -1.087 4.771 1.00 0.00 C ATOM 856 C LYS A 60 61.485 -0.765 3.520 1.00 0.00 C ATOM 857 O LYS A 60 62.132 0.266 3.450 1.00 0.00 O ATOM 858 CB LYS A 60 59.376 -0.262 4.791 1.00 0.00 C ATOM 859 CG LYS A 60 58.418 -0.793 3.722 1.00 0.00 C ATOM 860 CD LYS A 60 57.162 0.078 3.680 1.00 0.00 C ATOM 861 CE LYS A 60 56.146 -0.540 2.715 1.00 0.00 C ATOM 862 NZ LYS A 60 55.306 0.603 2.260 1.00 0.00 N ATOM 0 H LYS A 60 61.416 0.330 6.179 1.00 0.00 H new ATOM 0 HA LYS A 60 60.460 -2.158 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 60 58.909 -0.319 5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.600 0.788 4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 60 58.907 -0.791 2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.149 -1.826 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.730 0.160 4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.417 1.088 3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 60 56.643 -1.024 1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 60 55.543 -1.301 3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 54.584 0.260 1.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 54.840 1.040 3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 55.906 1.308 1.787 1.00 0.00 H new ATOM 876 N VAL A 61 61.458 -1.641 2.541 1.00 0.00 N ATOM 877 CA VAL A 61 62.194 -1.387 1.258 1.00 0.00 C ATOM 878 C VAL A 61 61.314 -0.533 0.337 1.00 0.00 C ATOM 879 O VAL A 61 60.259 -0.966 -0.091 1.00 0.00 O ATOM 880 CB VAL A 61 62.467 -2.775 0.639 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.255 -2.626 -0.668 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.290 -3.634 1.608 1.00 0.00 C ATOM 0 H VAL A 61 60.954 -2.527 2.576 1.00 0.00 H new ATOM 0 HA VAL A 61 63.129 -0.848 1.412 1.00 0.00 H new ATOM 0 HB VAL A 61 61.508 -3.254 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.441 -3.611 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.679 -2.028 -1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.206 -2.133 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.476 -4.610 1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.241 -3.142 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.739 -3.761 2.540 1.00 0.00 H new ATOM 892 N VAL A 62 61.754 0.667 0.034 1.00 0.00 N ATOM 893 CA VAL A 62 60.894 1.632 -0.729 1.00 0.00 C ATOM 894 C VAL A 62 60.957 1.289 -2.222 1.00 0.00 C ATOM 895 O VAL A 62 59.949 1.303 -2.906 1.00 0.00 O ATOM 896 CB VAL A 62 61.477 3.036 -0.457 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.640 4.105 -1.171 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.460 3.331 1.047 1.00 0.00 C ATOM 0 H VAL A 62 62.677 1.022 0.284 1.00 0.00 H new ATOM 0 HA VAL A 62 59.849 1.587 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 62 62.501 3.058 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 62 61.061 5.090 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.649 3.917 -2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.614 4.068 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.873 4.323 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.434 3.293 1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 62 62.060 2.587 1.571 1.00 0.00 H new ATOM 908 N GLN A 63 62.137 0.985 -2.721 1.00 0.00 N ATOM 909 CA GLN A 63 62.294 0.648 -4.173 1.00 0.00 C ATOM 910 C GLN A 63 63.648 -0.020 -4.426 1.00 0.00 C ATOM 911 O GLN A 63 64.672 0.450 -3.961 1.00 0.00 O ATOM 912 CB GLN A 63 62.216 1.987 -4.911 1.00 0.00 C ATOM 913 CG GLN A 63 62.104 1.738 -6.417 1.00 0.00 C ATOM 914 CD GLN A 63 60.709 1.201 -6.746 1.00 0.00 C ATOM 915 OE1 GLN A 63 60.443 0.027 -6.582 1.00 0.00 O ATOM 916 NE2 GLN A 63 59.801 2.017 -7.207 1.00 0.00 N ATOM 0 H GLN A 63 63.001 0.956 -2.180 1.00 0.00 H new ATOM 0 HA GLN A 63 61.528 -0.049 -4.511 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.355 2.557 -4.561 1.00 0.00 H new ATOM 0 HB3 GLN A 63 63.102 2.584 -4.696 1.00 0.00 H new ATOM 0 HG2 GLN A 63 62.287 2.663 -6.963 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.864 1.024 -6.735 1.00 0.00 H new ATOM 0 HE21 GLN A 63 60.024 3.003 -7.345 1.00 0.00 H new ATOM 0 HE22 GLN A 63 58.868 1.669 -7.429 1.00 0.00 H new ATOM 925 N ALA A 64 63.649 -1.112 -5.158 1.00 0.00 N ATOM 926 CA ALA A 64 64.930 -1.749 -5.590 1.00 0.00 C ATOM 927 C ALA A 64 65.210 -1.423 -7.061 1.00 0.00 C ATOM 928 O ALA A 64 64.331 -1.526 -7.898 1.00 0.00 O ATOM 929 CB ALA A 64 64.706 -3.251 -5.406 1.00 0.00 C ATOM 0 H ALA A 64 62.806 -1.591 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 64 65.785 -1.392 -5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.605 -3.792 -5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.485 -3.460 -4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.868 -3.572 -6.025 1.00 0.00 H new ATOM 935 N TYR A 65 66.426 -1.032 -7.370 1.00 0.00 N ATOM 936 CA TYR A 65 66.778 -0.638 -8.771 1.00 0.00 C ATOM 937 C TYR A 65 68.045 -1.391 -9.232 1.00 0.00 C ATOM 938 O TYR A 65 69.093 -1.170 -8.659 1.00 0.00 O ATOM 939 CB TYR A 65 67.058 0.867 -8.692 1.00 0.00 C ATOM 940 CG TYR A 65 65.828 1.725 -8.880 1.00 0.00 C ATOM 941 CD1 TYR A 65 64.973 1.515 -10.007 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.522 2.750 -7.932 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.812 2.330 -10.184 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.361 3.564 -8.110 1.00 0.00 C ATOM 945 CZ TYR A 65 63.506 3.354 -9.236 1.00 0.00 C ATOM 946 OH TYR A 65 62.386 4.141 -9.408 1.00 0.00 O ATOM 0 H TYR A 65 67.196 -0.969 -6.704 1.00 0.00 H new ATOM 0 HA TYR A 65 65.986 -0.876 -9.481 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.504 1.094 -7.724 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.794 1.131 -9.452 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.204 0.741 -10.724 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.168 2.909 -7.081 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.166 2.172 -11.035 1.00 0.00 H new ATOM 0 HE2 TYR A 65 64.130 4.338 -7.393 1.00 0.00 H new ATOM 0 HH TYR A 65 62.324 4.787 -8.674 1.00 0.00 H new ATOM 956 N PRO A 66 67.963 -2.255 -10.240 1.00 0.00 N ATOM 957 CA PRO A 66 66.682 -2.842 -10.758 1.00 0.00 C ATOM 958 C PRO A 66 66.156 -3.902 -9.788 1.00 0.00 C ATOM 959 O PRO A 66 66.888 -4.381 -8.942 1.00 0.00 O ATOM 960 CB PRO A 66 67.102 -3.485 -12.078 1.00 0.00 C ATOM 961 CG PRO A 66 68.534 -3.839 -11.875 1.00 0.00 C ATOM 962 CD PRO A 66 69.117 -2.769 -10.994 1.00 0.00 C ATOM 0 HA PRO A 66 65.885 -2.108 -10.874 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.502 -4.367 -12.300 1.00 0.00 H new ATOM 0 HB3 PRO A 66 66.977 -2.796 -12.914 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.629 -4.820 -11.409 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.061 -3.887 -12.828 1.00 0.00 H new ATOM 0 HD2 PRO A 66 69.880 -3.173 -10.328 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.591 -1.983 -11.582 1.00 0.00 H new ATOM 970 N SER A 67 64.901 -4.268 -9.909 1.00 0.00 N ATOM 971 CA SER A 67 64.334 -5.347 -9.041 1.00 0.00 C ATOM 972 C SER A 67 64.235 -6.665 -9.841 1.00 0.00 C ATOM 973 O SER A 67 63.878 -6.620 -11.002 1.00 0.00 O ATOM 974 CB SER A 67 62.938 -4.851 -8.659 1.00 0.00 C ATOM 975 OG SER A 67 63.057 -3.734 -7.789 1.00 0.00 O ATOM 0 H SER A 67 64.243 -3.863 -10.575 1.00 0.00 H new ATOM 0 HA SER A 67 64.951 -5.546 -8.165 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.382 -4.572 -9.554 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.377 -5.648 -8.171 1.00 0.00 H new ATOM 0 HG SER A 67 63.505 -3.000 -8.259 1.00 0.00 H new ATOM 981 N PRO A 68 64.542 -7.812 -9.242 1.00 0.00 N ATOM 982 CA PRO A 68 65.286 -7.918 -7.942 1.00 0.00 C ATOM 983 C PRO A 68 66.771 -7.595 -8.140 1.00 0.00 C ATOM 984 O PRO A 68 67.273 -7.631 -9.250 1.00 0.00 O ATOM 985 CB PRO A 68 65.103 -9.383 -7.551 1.00 0.00 C ATOM 986 CG PRO A 68 64.936 -10.091 -8.852 1.00 0.00 C ATOM 987 CD PRO A 68 64.199 -9.146 -9.759 1.00 0.00 C ATOM 0 HA PRO A 68 64.923 -7.223 -7.185 1.00 0.00 H new ATOM 0 HB2 PRO A 68 65.966 -9.759 -7.001 1.00 0.00 H new ATOM 0 HB3 PRO A 68 64.232 -9.518 -6.909 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.904 -10.359 -9.275 1.00 0.00 H new ATOM 0 HG3 PRO A 68 64.378 -11.018 -8.721 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.512 -9.264 -10.797 1.00 0.00 H new ATOM 0 HD3 PRO A 68 63.124 -9.321 -9.728 1.00 0.00 H new ATOM 995 N LEU A 69 67.466 -7.278 -7.070 1.00 0.00 N ATOM 996 CA LEU A 69 68.961 -7.180 -7.126 1.00 0.00 C ATOM 997 C LEU A 69 69.582 -7.709 -5.827 1.00 0.00 C ATOM 998 O LEU A 69 68.941 -7.722 -4.793 1.00 0.00 O ATOM 999 CB LEU A 69 69.280 -5.688 -7.337 1.00 0.00 C ATOM 1000 CG LEU A 69 68.748 -4.827 -6.173 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.810 -4.743 -5.067 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.412 -3.412 -6.675 1.00 0.00 C ATOM 0 H LEU A 69 67.058 -7.082 -6.156 1.00 0.00 H new ATOM 0 HA LEU A 69 69.377 -7.783 -7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.358 -5.554 -7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.838 -5.349 -8.274 1.00 0.00 H new ATOM 0 HG LEU A 69 67.844 -5.287 -5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.432 -4.134 -4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.036 -5.745 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.717 -4.290 -5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.037 -2.811 -5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.310 -2.948 -7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.650 -3.473 -7.452 1.00 0.00 H new ATOM 1014 N ARG A 70 70.820 -8.146 -5.887 1.00 0.00 N ATOM 1015 CA ARG A 70 71.571 -8.489 -4.639 1.00 0.00 C ATOM 1016 C ARG A 70 72.360 -7.270 -4.155 1.00 0.00 C ATOM 1017 O ARG A 70 72.873 -6.503 -4.952 1.00 0.00 O ATOM 1018 CB ARG A 70 72.522 -9.628 -5.030 1.00 0.00 C ATOM 1019 CG ARG A 70 71.835 -10.977 -4.804 1.00 0.00 C ATOM 1020 CD ARG A 70 72.500 -12.045 -5.681 1.00 0.00 C ATOM 1021 NE ARG A 70 73.819 -12.346 -5.027 1.00 0.00 N ATOM 1022 CZ ARG A 70 74.830 -12.881 -5.691 1.00 0.00 C ATOM 1023 NH1 ARG A 70 74.753 -13.203 -6.965 1.00 0.00 N ATOM 1024 NH2 ARG A 70 75.948 -13.105 -5.056 1.00 0.00 N ATOM 0 H ARG A 70 71.343 -8.280 -6.752 1.00 0.00 H new ATOM 0 HA ARG A 70 70.906 -8.786 -3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.813 -9.528 -6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.435 -9.571 -4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.903 -11.260 -3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.775 -10.902 -5.046 1.00 0.00 H new ATOM 0 HD2 ARG A 70 71.881 -12.940 -5.744 1.00 0.00 H new ATOM 0 HD3 ARG A 70 72.642 -11.683 -6.699 1.00 0.00 H new ATOM 0 HE ARG A 70 73.939 -12.130 -4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 70 73.888 -13.042 -7.480 1.00 0.00 H new ATOM 0 HH12 ARG A 70 75.559 -13.614 -7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 70 76.029 -12.868 -4.067 1.00 0.00 H new ATOM 0 HH22 ARG A 70 76.741 -13.517 -5.549 1.00 0.00 H new ATOM 1038 N VAL A 71 72.454 -7.097 -2.856 1.00 0.00 N ATOM 1039 CA VAL A 71 73.173 -5.908 -2.289 1.00 0.00 C ATOM 1040 C VAL A 71 74.679 -6.200 -2.255 1.00 0.00 C ATOM 1041 O VAL A 71 75.099 -7.247 -1.793 1.00 0.00 O ATOM 1042 CB VAL A 71 72.605 -5.709 -0.867 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.277 -4.509 -0.187 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.096 -5.446 -0.939 1.00 0.00 C ATOM 0 H VAL A 71 72.062 -7.732 -2.161 1.00 0.00 H new ATOM 0 HA VAL A 71 73.031 -5.007 -2.886 1.00 0.00 H new ATOM 0 HB VAL A 71 72.801 -6.614 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 71 72.866 -4.381 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.351 -4.684 -0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.092 -3.608 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.703 -5.307 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 71 70.911 -4.548 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.600 -6.296 -1.408 1.00 0.00 H new ATOM 1054 N GLU A 72 75.480 -5.280 -2.743 1.00 0.00 N ATOM 1055 CA GLU A 72 76.962 -5.480 -2.768 1.00 0.00 C ATOM 1056 C GLU A 72 77.670 -4.248 -2.196 1.00 0.00 C ATOM 1057 O GLU A 72 77.076 -3.191 -2.073 1.00 0.00 O ATOM 1058 CB GLU A 72 77.308 -5.663 -4.247 1.00 0.00 C ATOM 1059 CG GLU A 72 78.766 -6.107 -4.385 1.00 0.00 C ATOM 1060 CD GLU A 72 79.090 -6.354 -5.860 1.00 0.00 C ATOM 1061 OE1 GLU A 72 78.719 -5.525 -6.675 1.00 0.00 O ATOM 1062 OE2 GLU A 72 79.705 -7.367 -6.149 1.00 0.00 O ATOM 0 H GLU A 72 75.164 -4.390 -3.129 1.00 0.00 H new ATOM 0 HA GLU A 72 77.277 -6.333 -2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 72 76.648 -6.405 -4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 72 77.150 -4.729 -4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 72 79.429 -5.343 -3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 72 78.936 -7.016 -3.808 1.00 0.00 H new ATOM 1069 N ASP A 73 78.932 -4.384 -1.847 1.00 0.00 N ATOM 1070 CA ASP A 73 79.714 -3.223 -1.287 1.00 0.00 C ATOM 1071 C ASP A 73 79.774 -2.059 -2.291 1.00 0.00 C ATOM 1072 O ASP A 73 79.866 -0.907 -1.903 1.00 0.00 O ATOM 1073 CB ASP A 73 81.128 -3.757 -0.983 1.00 0.00 C ATOM 1074 CG ASP A 73 81.786 -4.331 -2.247 1.00 0.00 C ATOM 1075 OD1 ASP A 73 81.327 -5.360 -2.715 1.00 0.00 O ATOM 1076 OD2 ASP A 73 82.735 -3.729 -2.722 1.00 0.00 O ATOM 0 H ASP A 73 79.459 -5.254 -1.926 1.00 0.00 H new ATOM 0 HA ASP A 73 79.238 -2.832 -0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.745 -2.953 -0.581 1.00 0.00 H new ATOM 0 HB3 ASP A 73 81.071 -4.529 -0.216 1.00 0.00 H new ATOM 1081 N ARG A 74 79.724 -2.363 -3.570 1.00 0.00 N ATOM 1082 CA ARG A 74 79.709 -1.286 -4.616 1.00 0.00 C ATOM 1083 C ARG A 74 78.289 -0.737 -4.832 1.00 0.00 C ATOM 1084 O ARG A 74 78.128 0.359 -5.341 1.00 0.00 O ATOM 1085 CB ARG A 74 80.220 -1.951 -5.899 1.00 0.00 C ATOM 1086 CG ARG A 74 81.690 -2.337 -5.725 1.00 0.00 C ATOM 1087 CD ARG A 74 82.238 -2.880 -7.050 1.00 0.00 C ATOM 1088 NE ARG A 74 83.614 -3.397 -6.740 1.00 0.00 N ATOM 1089 CZ ARG A 74 84.215 -4.302 -7.494 1.00 0.00 C ATOM 1090 NH1 ARG A 74 83.662 -4.805 -8.577 1.00 0.00 N ATOM 1091 NH2 ARG A 74 85.408 -4.708 -7.155 1.00 0.00 N ATOM 0 H ARG A 74 79.693 -3.315 -3.935 1.00 0.00 H new ATOM 0 HA ARG A 74 80.327 -0.440 -4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 74 79.625 -2.836 -6.124 1.00 0.00 H new ATOM 0 HB3 ARG A 74 80.110 -1.270 -6.743 1.00 0.00 H new ATOM 0 HG2 ARG A 74 82.269 -1.470 -5.408 1.00 0.00 H new ATOM 0 HG3 ARG A 74 81.789 -3.090 -4.943 1.00 0.00 H new ATOM 0 HD2 ARG A 74 81.601 -3.673 -7.441 1.00 0.00 H new ATOM 0 HD3 ARG A 74 82.275 -2.098 -7.808 1.00 0.00 H new ATOM 0 HE ARG A 74 84.102 -3.037 -5.919 1.00 0.00 H new ATOM 0 HH11 ARG A 74 82.733 -4.498 -8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 74 84.163 -5.502 -9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 74 85.859 -4.328 -6.323 1.00 0.00 H new ATOM 0 HH22 ARG A 74 85.890 -5.405 -7.722 1.00 0.00 H new ATOM 1105 N THR A 75 77.268 -1.482 -4.452 1.00 0.00 N ATOM 1106 CA THR A 75 75.859 -0.979 -4.596 1.00 0.00 C ATOM 1107 C THR A 75 75.614 0.181 -3.626 1.00 0.00 C ATOM 1108 O THR A 75 75.998 0.119 -2.471 1.00 0.00 O ATOM 1109 CB THR A 75 74.949 -2.164 -4.250 1.00 0.00 C ATOM 1110 OG1 THR A 75 75.365 -3.308 -4.983 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.503 -1.822 -4.614 1.00 0.00 C ATOM 0 H THR A 75 77.352 -2.415 -4.049 1.00 0.00 H new ATOM 0 HA THR A 75 75.665 -0.610 -5.603 1.00 0.00 H new ATOM 0 HB THR A 75 75.013 -2.372 -3.182 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.632 -3.957 -5.021 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.857 -2.665 -4.368 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.184 -0.944 -4.052 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.436 -1.613 -5.682 1.00 0.00 H new ATOM 1119 N LYS A 76 74.976 1.231 -4.096 1.00 0.00 N ATOM 1120 CA LYS A 76 74.735 2.434 -3.233 1.00 0.00 C ATOM 1121 C LYS A 76 73.425 2.273 -2.456 1.00 0.00 C ATOM 1122 O LYS A 76 72.439 1.800 -2.992 1.00 0.00 O ATOM 1123 CB LYS A 76 74.636 3.618 -4.202 1.00 0.00 C ATOM 1124 CG LYS A 76 75.990 3.840 -4.882 1.00 0.00 C ATOM 1125 CD LYS A 76 75.885 5.015 -5.857 1.00 0.00 C ATOM 1126 CE LYS A 76 77.058 4.969 -6.838 1.00 0.00 C ATOM 1127 NZ LYS A 76 77.219 6.372 -7.312 1.00 0.00 N ATOM 0 H LYS A 76 74.611 1.305 -5.045 1.00 0.00 H new ATOM 0 HA LYS A 76 75.530 2.575 -2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 76 73.869 3.424 -4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.336 4.517 -3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.756 4.042 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.294 2.938 -5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 76 74.941 4.968 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 76 75.891 5.958 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 76 77.965 4.610 -6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 76 76.852 4.293 -7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 78.190 6.513 -7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 76.547 6.557 -8.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 77.032 7.027 -6.526 1.00 0.00 H new ATOM 1141 N ILE A 77 73.414 2.662 -1.201 1.00 0.00 N ATOM 1142 CA ILE A 77 72.157 2.595 -0.385 1.00 0.00 C ATOM 1143 C ILE A 77 71.874 3.975 0.224 1.00 0.00 C ATOM 1144 O ILE A 77 72.755 4.600 0.789 1.00 0.00 O ATOM 1145 CB ILE A 77 72.423 1.534 0.703 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.699 0.174 0.044 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.200 1.392 1.620 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.278 -0.793 1.077 1.00 0.00 C ATOM 0 H ILE A 77 74.227 3.025 -0.704 1.00 0.00 H new ATOM 0 HA ILE A 77 71.282 2.324 -0.976 1.00 0.00 H new ATOM 0 HB ILE A 77 73.285 1.851 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.777 -0.233 -0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.396 0.296 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.402 0.640 2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 77 70.992 2.348 2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.336 1.087 1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.472 -1.756 0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.210 -0.388 1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.566 -0.925 1.891 1.00 0.00 H new ATOM 1160 N THR A 78 70.650 4.441 0.108 1.00 0.00 N ATOM 1161 CA THR A 78 70.300 5.817 0.580 1.00 0.00 C ATOM 1162 C THR A 78 69.108 5.767 1.540 1.00 0.00 C ATOM 1163 O THR A 78 68.176 5.007 1.339 1.00 0.00 O ATOM 1164 CB THR A 78 69.931 6.587 -0.689 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.944 6.400 -1.667 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.802 8.077 -0.365 1.00 0.00 C ATOM 0 H THR A 78 69.873 3.919 -0.298 1.00 0.00 H new ATOM 0 HA THR A 78 71.121 6.286 1.122 1.00 0.00 H new ATOM 0 HB THR A 78 68.981 6.217 -1.074 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.707 6.892 -2.481 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.539 8.625 -1.270 1.00 0.00 H new ATOM 0 HG22 THR A 78 69.024 8.220 0.385 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.751 8.449 0.021 1.00 0.00 H new ATOM 1174 N LEU A 79 69.140 6.573 2.578 1.00 0.00 N ATOM 1175 CA LEU A 79 67.997 6.637 3.541 1.00 0.00 C ATOM 1176 C LEU A 79 67.106 7.841 3.223 1.00 0.00 C ATOM 1177 O LEU A 79 67.584 8.957 3.109 1.00 0.00 O ATOM 1178 CB LEU A 79 68.645 6.800 4.918 1.00 0.00 C ATOM 1179 CG LEU A 79 69.401 5.521 5.285 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.295 5.787 6.497 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.398 4.416 5.626 1.00 0.00 C ATOM 0 H LEU A 79 69.918 7.194 2.799 1.00 0.00 H new ATOM 0 HA LEU A 79 67.365 5.750 3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.329 7.649 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 79 67.882 7.011 5.667 1.00 0.00 H new ATOM 0 HG LEU A 79 70.016 5.208 4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.834 4.876 6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.009 6.575 6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.680 6.100 7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.936 3.505 5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.784 4.730 6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.759 4.226 4.764 1.00 0.00 H new ATOM 1193 N VAL A 80 65.818 7.616 3.082 1.00 0.00 N ATOM 1194 CA VAL A 80 64.867 8.735 2.785 1.00 0.00 C ATOM 1195 C VAL A 80 64.270 9.259 4.099 1.00 0.00 C ATOM 1196 O VAL A 80 63.891 8.488 4.963 1.00 0.00 O ATOM 1197 CB VAL A 80 63.774 8.123 1.883 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.727 9.184 1.518 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.400 7.592 0.588 1.00 0.00 C ATOM 0 H VAL A 80 65.383 6.697 3.161 1.00 0.00 H new ATOM 0 HA VAL A 80 65.352 9.577 2.292 1.00 0.00 H new ATOM 0 HB VAL A 80 63.298 7.309 2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 80 61.963 8.737 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.264 9.566 2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.210 10.003 0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.622 7.162 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.886 8.410 0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.137 6.826 0.828 1.00 0.00 H new ATOM 1209 N THR A 81 64.192 10.563 4.242 1.00 0.00 N ATOM 1210 CA THR A 81 63.484 11.166 5.412 1.00 0.00 C ATOM 1211 C THR A 81 62.831 12.491 5.010 1.00 0.00 C ATOM 1212 O THR A 81 63.175 13.072 3.995 1.00 0.00 O ATOM 1213 CB THR A 81 64.573 11.399 6.460 1.00 0.00 C ATOM 1214 OG1 THR A 81 65.643 12.129 5.875 1.00 0.00 O ATOM 1215 CG2 THR A 81 65.090 10.053 6.971 1.00 0.00 C ATOM 0 H THR A 81 64.593 11.238 3.591 1.00 0.00 H new ATOM 0 HA THR A 81 62.689 10.523 5.789 1.00 0.00 H new ATOM 0 HB THR A 81 64.159 11.966 7.294 1.00 0.00 H new ATOM 0 HG1 THR A 81 66.341 12.281 6.546 1.00 0.00 H new ATOM 0 HG21 THR A 81 65.866 10.221 7.718 1.00 0.00 H new ATOM 0 HG22 THR A 81 64.269 9.495 7.420 1.00 0.00 H new ATOM 0 HG23 THR A 81 65.504 9.483 6.139 1.00 0.00 H new ATOM 1223 N HIS A 82 61.895 12.965 5.803 1.00 0.00 N ATOM 1224 CA HIS A 82 61.206 14.260 5.498 1.00 0.00 C ATOM 1225 C HIS A 82 61.197 15.168 6.746 1.00 0.00 C ATOM 1226 O HIS A 82 60.292 15.076 7.556 1.00 0.00 O ATOM 1227 CB HIS A 82 59.780 13.879 5.075 1.00 0.00 C ATOM 1228 CG HIS A 82 59.023 13.063 6.093 1.00 0.00 C ATOM 1229 ND1 HIS A 82 58.083 13.627 6.940 1.00 0.00 N ATOM 1230 CD2 HIS A 82 59.060 11.727 6.409 1.00 0.00 C ATOM 1231 CE1 HIS A 82 57.596 12.642 7.717 1.00 0.00 C ATOM 1232 NE2 HIS A 82 58.157 11.464 7.435 1.00 0.00 N ATOM 0 H HIS A 82 61.578 12.504 6.656 1.00 0.00 H new ATOM 0 HA HIS A 82 61.713 14.819 4.712 1.00 0.00 H new ATOM 0 HB2 HIS A 82 59.220 14.791 4.870 1.00 0.00 H new ATOM 0 HB3 HIS A 82 59.829 13.318 4.142 1.00 0.00 H new ATOM 0 HD2 HIS A 82 59.693 10.992 5.934 1.00 0.00 H new ATOM 0 HE1 HIS A 82 56.842 12.787 8.477 1.00 0.00 H new ATOM 0 HE2 HIS A 82 57.965 10.565 7.876 1.00 0.00 H new ATOM 1240 N PRO A 83 62.205 16.026 6.876 1.00 0.00 N ATOM 1241 CA PRO A 83 62.275 16.946 8.050 1.00 0.00 C ATOM 1242 C PRO A 83 61.102 17.936 8.034 1.00 0.00 C ATOM 1243 O PRO A 83 60.276 17.859 8.928 1.00 0.00 O ATOM 1244 CB PRO A 83 63.615 17.678 7.882 1.00 0.00 C ATOM 1245 CG PRO A 83 64.373 16.903 6.854 1.00 0.00 C ATOM 1246 CD PRO A 83 63.359 16.226 5.979 1.00 0.00 C ATOM 1247 OXT PRO A 83 61.054 18.752 7.129 1.00 0.00 O ATOM 0 HA PRO A 83 62.211 16.416 9.000 1.00 0.00 H new ATOM 0 HB2 PRO A 83 63.461 18.708 7.561 1.00 0.00 H new ATOM 0 HB3 PRO A 83 64.161 17.716 8.825 1.00 0.00 H new ATOM 0 HG2 PRO A 83 65.010 17.563 6.266 1.00 0.00 H new ATOM 0 HG3 PRO A 83 65.025 16.169 7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 83 63.096 16.842 5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 83 63.733 15.279 5.590 1.00 0.00 H new TER 1255 PRO A 83