USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 729 hydrogens (14 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 NoAdj-H: A 42 ALY H2 : A 42 ALY N : A 41 SER C :(H bumps) USER MOD Set 1.1: A 72 THR OG1 : rot 100:sc= -2.53! USER MOD Set 1.2: A 75 GLN :FLIP amide:sc= -0.117 F(o=-3.8!,f=-2.6) USER MOD Set 2.1: A 68 ASN : amide:sc= 0.454 X(o=0.51,f=0.29) USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= 0.0517 USER MOD Set 3.1: A 14 ASN : amide:sc= 0.812 K(o=1.8,f=0.18) USER MOD Set 3.2: A 15 ASN : amide:sc= 0.943 K(o=1.8,f=0.35) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= 1.25 (180deg=0.581) USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= -0.0172 (180deg=-0.192) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= -0.0138 (180deg=-0.137) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS :FLIP no HD1:sc=-0.00652 F(o=-1.2,f=-0.0065) USER MOD Single : A 19 ASN : amide:sc= -1.72! C(o=-1.7!,f=-2.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.2) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0211 USER MOD Single : A 31 GLN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= -0.094 (180deg=-0.447) USER MOD Single : A 35 LYS NZ :NH3+ -164:sc= 0.428 (180deg=-0.0272) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 38 THR OG1 : rot -160:sc= -2.35! USER MOD Single : A 41 SER OG : rot 92:sc= 1.22 USER MOD Single : A 44 MET CE :methyl -111:sc= -0.0605 (180deg=-0.249) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= -0.0621 (180deg=-0.302) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0587 USER MOD Single : A 48 CYS SG : rot 44:sc= 1.09 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.362 F(o=-1.9,f=-0.36) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -108:sc= -0.662 (180deg=-3.26!) USER MOD Single : A 57 GLN :FLIP amide:sc=-0.00191 F(o=-1.3,f=-0.0019) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -110:sc= -1.57 (180deg=-2.34!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.645 F(o=-1.2!,f=-0.65) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 90 GLN :FLIP amide:sc= -1.22! C(o=-2.3!,f=-1.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.03 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.558 22.641 34.435 1.00 0.00 N ATOM 2 CA MET A 1 -15.888 22.046 34.192 1.00 0.00 C ATOM 3 C MET A 1 -15.864 21.144 32.971 1.00 0.00 C ATOM 4 O MET A 1 -16.491 20.089 32.946 1.00 0.00 O ATOM 5 CB MET A 1 -16.962 23.148 34.027 1.00 0.00 C ATOM 6 CG MET A 1 -16.842 23.983 32.752 1.00 0.00 C ATOM 7 SD MET A 1 -15.251 24.830 32.600 1.00 0.00 S ATOM 8 CE MET A 1 -15.477 25.701 31.049 1.00 0.00 C ATOM 0 H1 MET A 1 -14.485 22.933 35.430 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.820 21.939 34.225 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.431 23.471 33.821 1.00 0.00 H new ATOM 0 HA MET A 1 -16.147 21.440 35.060 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.946 22.680 34.045 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.910 23.816 34.887 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.985 23.336 31.887 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.643 24.722 32.733 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.578 26.272 30.818 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.666 24.982 30.252 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.326 26.380 31.133 1.00 0.00 H new ATOM 18 N ALA A 2 -15.150 21.571 31.957 1.00 0.00 N ATOM 19 CA ALA A 2 -15.042 20.843 30.708 1.00 0.00 C ATOM 20 C ALA A 2 -14.367 19.481 30.869 1.00 0.00 C ATOM 21 O ALA A 2 -13.148 19.384 31.005 1.00 0.00 O ATOM 22 CB ALA A 2 -14.296 21.684 29.681 1.00 0.00 C ATOM 0 H ALA A 2 -14.621 22.443 31.973 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.057 20.649 30.362 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.218 21.131 28.745 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.838 22.614 29.509 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.297 21.910 30.053 1.00 0.00 H new ATOM 28 N ASP A 3 -15.168 18.428 30.853 1.00 0.00 N ATOM 29 CA ASP A 3 -14.661 17.056 30.896 1.00 0.00 C ATOM 30 C ASP A 3 -14.515 16.539 29.478 1.00 0.00 C ATOM 31 O ASP A 3 -14.749 15.366 29.187 1.00 0.00 O ATOM 32 CB ASP A 3 -15.605 16.143 31.687 1.00 0.00 C ATOM 33 CG ASP A 3 -15.473 16.307 33.183 1.00 0.00 C ATOM 34 OD1 ASP A 3 -14.441 15.886 33.740 1.00 0.00 O ATOM 35 OD2 ASP A 3 -16.402 16.846 33.814 1.00 0.00 O ATOM 0 H ASP A 3 -16.185 18.494 30.810 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.693 17.055 31.397 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -16.634 16.353 31.394 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -15.403 15.105 31.422 1.00 0.00 H new ATOM 40 N GLU A 4 -14.094 17.419 28.601 1.00 0.00 N ATOM 41 CA GLU A 4 -13.957 17.121 27.188 1.00 0.00 C ATOM 42 C GLU A 4 -12.519 17.355 26.743 1.00 0.00 C ATOM 43 O GLU A 4 -12.252 17.804 25.628 1.00 0.00 O ATOM 44 CB GLU A 4 -14.921 18.003 26.393 1.00 0.00 C ATOM 45 CG GLU A 4 -14.845 19.474 26.768 1.00 0.00 C ATOM 46 CD GLU A 4 -15.884 20.313 26.067 1.00 0.00 C ATOM 47 OE1 GLU A 4 -17.023 20.393 26.570 1.00 0.00 O ATOM 48 OE2 GLU A 4 -15.566 20.901 25.013 1.00 0.00 O ATOM 0 H GLU A 4 -13.833 18.374 28.847 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.202 16.075 27.007 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.707 17.896 25.330 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.940 17.648 26.550 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.970 19.576 27.846 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.853 19.855 26.525 1.00 0.00 H new ATOM 55 N LYS A 5 -11.587 17.030 27.617 1.00 0.00 N ATOM 56 CA LYS A 5 -10.177 17.217 27.329 1.00 0.00 C ATOM 57 C LYS A 5 -9.419 15.901 27.421 1.00 0.00 C ATOM 58 O LYS A 5 -9.019 15.472 28.509 1.00 0.00 O ATOM 59 CB LYS A 5 -9.555 18.264 28.261 1.00 0.00 C ATOM 60 CG LYS A 5 -10.029 19.687 27.998 1.00 0.00 C ATOM 61 CD LYS A 5 -9.677 20.136 26.584 1.00 0.00 C ATOM 62 CE LYS A 5 -10.092 21.575 26.330 1.00 0.00 C ATOM 63 NZ LYS A 5 -9.351 22.528 27.192 1.00 0.00 N ATOM 0 H LYS A 5 -11.781 16.633 28.537 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.097 17.584 26.306 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.786 18.000 29.293 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.470 18.228 28.158 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.108 19.746 28.142 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.573 20.364 28.721 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.603 20.034 26.427 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.168 19.483 25.862 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.918 21.823 25.283 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.162 21.681 26.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.496 23.497 26.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.701 22.456 28.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.337 22.300 27.170 1.00 0.00 H new ATOM 77 N PRO A 6 -9.238 15.228 26.279 1.00 0.00 N ATOM 78 CA PRO A 6 -8.499 13.979 26.209 1.00 0.00 C ATOM 79 C PRO A 6 -6.996 14.232 26.132 1.00 0.00 C ATOM 80 O PRO A 6 -6.533 15.365 26.294 1.00 0.00 O ATOM 81 CB PRO A 6 -8.999 13.358 24.906 1.00 0.00 C ATOM 82 CG PRO A 6 -9.321 14.523 24.035 1.00 0.00 C ATOM 83 CD PRO A 6 -9.752 15.639 24.955 1.00 0.00 C ATOM 0 HA PRO A 6 -8.651 13.346 27.083 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.239 12.722 24.453 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.877 12.735 25.075 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.453 14.819 23.446 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.114 14.273 23.330 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.334 16.597 24.644 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.836 15.752 24.965 1.00 0.00 H new ATOM 91 N LYS A 7 -6.233 13.190 25.864 1.00 0.00 N ATOM 92 CA LYS A 7 -4.785 13.310 25.744 1.00 0.00 C ATOM 93 C LYS A 7 -4.401 13.665 24.309 1.00 0.00 C ATOM 94 O LYS A 7 -3.297 13.380 23.852 1.00 0.00 O ATOM 95 CB LYS A 7 -4.112 12.008 26.163 1.00 0.00 C ATOM 96 CG LYS A 7 -4.408 11.603 27.597 1.00 0.00 C ATOM 97 CD LYS A 7 -3.685 10.319 27.983 1.00 0.00 C ATOM 98 CE LYS A 7 -4.133 9.145 27.126 1.00 0.00 C ATOM 99 NZ LYS A 7 -3.404 7.901 27.468 1.00 0.00 N ATOM 0 H LYS A 7 -6.590 12.245 25.724 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.445 14.108 26.404 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.436 11.210 25.495 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.034 12.110 26.038 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.108 12.406 28.271 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.482 11.467 27.722 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.610 10.460 27.875 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.873 10.096 29.033 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.203 8.987 27.258 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.973 9.382 26.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.738 7.125 26.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.385 8.043 27.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.577 7.660 28.465 1.00 0.00 H new ATOM 113 N GLU A 8 -5.314 14.326 23.611 1.00 0.00 N ATOM 114 CA GLU A 8 -5.109 14.705 22.214 1.00 0.00 C ATOM 115 C GLU A 8 -4.282 16.003 22.102 1.00 0.00 C ATOM 116 O GLU A 8 -4.252 16.656 21.054 1.00 0.00 O ATOM 117 CB GLU A 8 -6.469 14.869 21.517 1.00 0.00 C ATOM 118 CG GLU A 8 -6.388 14.930 19.998 1.00 0.00 C ATOM 119 CD GLU A 8 -7.737 15.114 19.350 1.00 0.00 C ATOM 120 OE1 GLU A 8 -8.464 14.115 19.193 1.00 0.00 O ATOM 121 OE2 GLU A 8 -8.078 16.255 18.989 1.00 0.00 O ATOM 0 H GLU A 8 -6.215 14.615 23.992 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.546 13.913 21.720 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.114 14.038 21.802 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.944 15.780 21.881 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.734 15.752 19.706 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.933 14.012 19.625 1.00 0.00 H new ATOM 128 N GLY A 9 -3.602 16.371 23.181 1.00 0.00 N ATOM 129 CA GLY A 9 -2.761 17.554 23.165 1.00 0.00 C ATOM 130 C GLY A 9 -1.439 17.289 22.473 1.00 0.00 C ATOM 131 O GLY A 9 -0.374 17.323 23.092 1.00 0.00 O ATOM 0 H GLY A 9 -3.618 15.870 24.069 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.282 18.365 22.657 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.577 17.885 24.187 1.00 0.00 H new ATOM 135 N VAL A 10 -1.504 17.010 21.189 1.00 0.00 N ATOM 136 CA VAL A 10 -0.331 16.708 20.402 1.00 0.00 C ATOM 137 C VAL A 10 0.042 17.895 19.510 1.00 0.00 C ATOM 138 O VAL A 10 -0.818 18.523 18.891 1.00 0.00 O ATOM 139 CB VAL A 10 -0.559 15.433 19.536 1.00 0.00 C ATOM 140 CG1 VAL A 10 -1.762 15.599 18.616 1.00 0.00 C ATOM 141 CG2 VAL A 10 0.685 15.083 18.735 1.00 0.00 C ATOM 0 H VAL A 10 -2.376 16.987 20.661 1.00 0.00 H new ATOM 0 HA VAL A 10 0.494 16.516 21.088 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.766 14.607 20.217 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.895 14.693 18.025 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.656 15.777 19.214 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.597 16.446 17.950 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.496 14.189 18.141 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.937 15.912 18.074 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.516 14.897 19.416 1.00 0.00 H new ATOM 151 N LYS A 11 1.324 18.209 19.447 1.00 0.00 N ATOM 152 CA LYS A 11 1.798 19.294 18.629 1.00 0.00 C ATOM 153 C LYS A 11 2.516 18.760 17.398 1.00 0.00 C ATOM 154 O LYS A 11 2.733 19.472 16.421 1.00 0.00 O ATOM 155 CB LYS A 11 2.704 20.227 19.444 1.00 0.00 C ATOM 156 CG LYS A 11 3.806 19.545 20.269 1.00 0.00 C ATOM 157 CD LYS A 11 4.946 19.009 19.403 1.00 0.00 C ATOM 158 CE LYS A 11 5.698 20.126 18.689 1.00 0.00 C ATOM 159 NZ LYS A 11 6.376 21.047 19.642 1.00 0.00 N ATOM 0 H LYS A 11 2.056 17.718 19.961 1.00 0.00 H new ATOM 0 HA LYS A 11 0.941 19.875 18.289 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.174 20.933 18.760 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.078 20.808 20.121 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.207 20.257 20.990 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.372 18.724 20.839 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.641 18.446 20.027 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.544 18.314 18.666 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.438 19.691 18.017 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.002 20.693 18.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.021 21.673 19.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.663 21.620 20.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.918 20.492 20.335 1.00 0.00 H new ATOM 173 N THR A 12 2.895 17.497 17.460 1.00 0.00 N ATOM 174 CA THR A 12 3.577 16.836 16.368 1.00 0.00 C ATOM 175 C THR A 12 2.629 16.632 15.185 1.00 0.00 C ATOM 176 O THR A 12 3.030 16.676 14.021 1.00 0.00 O ATOM 177 CB THR A 12 4.134 15.481 16.840 1.00 0.00 C ATOM 178 OG1 THR A 12 5.018 15.682 17.960 1.00 0.00 O ATOM 179 CG2 THR A 12 4.875 14.761 15.723 1.00 0.00 C ATOM 0 H THR A 12 2.737 16.901 18.272 1.00 0.00 H new ATOM 0 HA THR A 12 4.403 17.467 16.042 1.00 0.00 H new ATOM 0 HB THR A 12 3.292 14.858 17.140 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.369 14.817 18.259 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.254 13.808 16.093 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.194 14.582 14.891 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.708 15.376 15.384 1.00 0.00 H new ATOM 187 N GLU A 13 1.369 16.438 15.490 1.00 0.00 N ATOM 188 CA GLU A 13 0.348 16.246 14.480 1.00 0.00 C ATOM 189 C GLU A 13 -0.482 17.510 14.359 1.00 0.00 C ATOM 190 O GLU A 13 -0.279 18.466 15.108 1.00 0.00 O ATOM 191 CB GLU A 13 -0.546 15.060 14.846 1.00 0.00 C ATOM 192 CG GLU A 13 0.162 13.715 14.797 1.00 0.00 C ATOM 193 CD GLU A 13 0.538 13.313 13.388 1.00 0.00 C ATOM 194 OE1 GLU A 13 -0.305 12.715 12.695 1.00 0.00 O ATOM 195 OE2 GLU A 13 1.674 13.597 12.961 1.00 0.00 O ATOM 0 H GLU A 13 1.018 16.408 16.447 1.00 0.00 H new ATOM 0 HA GLU A 13 0.825 16.033 13.523 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.944 15.214 15.849 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.397 15.036 14.166 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.061 13.758 15.412 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.484 12.951 15.230 1.00 0.00 H new ATOM 202 N ASN A 14 -1.418 17.526 13.430 1.00 0.00 N ATOM 203 CA ASN A 14 -2.275 18.690 13.211 1.00 0.00 C ATOM 204 C ASN A 14 -3.514 18.280 12.435 1.00 0.00 C ATOM 205 O ASN A 14 -4.581 18.882 12.564 1.00 0.00 O ATOM 206 CB ASN A 14 -1.526 19.807 12.461 1.00 0.00 C ATOM 207 CG ASN A 14 -0.925 19.344 11.144 1.00 0.00 C ATOM 208 OD1 ASN A 14 -1.584 19.359 10.102 1.00 0.00 O ATOM 209 ND2 ASN A 14 0.332 18.947 11.179 1.00 0.00 N ATOM 0 H ASN A 14 -1.610 16.742 12.806 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.570 19.081 14.185 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.213 20.631 12.270 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.732 20.195 13.099 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.793 18.638 10.323 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.843 18.949 12.062 1.00 0.00 H new ATOM 216 N ASN A 15 -3.366 17.251 11.617 1.00 0.00 N ATOM 217 CA ASN A 15 -4.466 16.705 10.852 1.00 0.00 C ATOM 218 C ASN A 15 -4.703 15.263 11.266 1.00 0.00 C ATOM 219 O ASN A 15 -3.914 14.690 12.027 1.00 0.00 O ATOM 220 CB ASN A 15 -4.184 16.789 9.344 1.00 0.00 C ATOM 221 CG ASN A 15 -2.924 16.051 8.937 1.00 0.00 C ATOM 222 OD1 ASN A 15 -2.955 14.867 8.610 1.00 0.00 O ATOM 223 ND2 ASN A 15 -1.809 16.748 8.951 1.00 0.00 N ATOM 0 H ASN A 15 -2.478 16.773 11.467 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.361 17.293 11.057 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.033 16.377 8.797 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.095 17.836 9.054 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.929 16.307 8.684 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.824 17.729 9.229 1.00 0.00 H new ATOM 230 N ASP A 16 -5.768 14.668 10.772 1.00 0.00 N ATOM 231 CA ASP A 16 -6.099 13.293 11.114 1.00 0.00 C ATOM 232 C ASP A 16 -5.730 12.372 9.970 1.00 0.00 C ATOM 233 O ASP A 16 -5.167 12.806 8.965 1.00 0.00 O ATOM 234 CB ASP A 16 -7.591 13.151 11.459 1.00 0.00 C ATOM 235 CG ASP A 16 -8.504 13.639 10.354 1.00 0.00 C ATOM 236 OD1 ASP A 16 -8.809 12.858 9.433 1.00 0.00 O ATOM 237 OD2 ASP A 16 -8.917 14.817 10.403 1.00 0.00 O ATOM 0 H ASP A 16 -6.424 15.113 10.130 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.524 13.011 11.996 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.811 12.104 11.669 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.802 13.710 12.370 1.00 0.00 H new ATOM 242 N HIS A 17 -6.037 11.103 10.101 1.00 0.00 N ATOM 243 CA HIS A 17 -5.687 10.152 9.074 1.00 0.00 C ATOM 244 C HIS A 17 -6.802 9.145 8.834 1.00 0.00 C ATOM 245 O HIS A 17 -7.661 8.943 9.686 1.00 0.00 O ATOM 246 CB HIS A 17 -4.357 9.466 9.399 1.00 0.00 C ATOM 247 CG HIS A 17 -4.304 8.734 10.706 1.00 0.00 C ATOM 248 ND1 HIS A 17 -4.565 7.451 10.995 1.00 0.00 N flip ATOM 249 CD2 HIS A 17 -3.915 9.318 11.894 1.00 0.00 C flip ATOM 250 CE1 HIS A 17 -4.338 7.273 12.335 1.00 0.00 C flip ATOM 251 NE2 HIS A 17 -3.944 8.413 12.853 1.00 0.00 N flip ATOM 0 H HIS A 17 -6.526 10.707 10.904 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.557 10.701 8.141 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.128 8.761 8.600 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.570 10.220 9.394 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.632 10.353 12.019 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.463 6.347 12.876 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.701 8.572 13.831 1.00 0.00 H new ATOM 260 N ILE A 18 -6.785 8.502 7.671 1.00 0.00 N ATOM 261 CA ILE A 18 -7.856 7.589 7.280 1.00 0.00 C ATOM 262 C ILE A 18 -7.393 6.144 7.218 1.00 0.00 C ATOM 263 O ILE A 18 -6.202 5.842 7.328 1.00 0.00 O ATOM 264 CB ILE A 18 -8.489 7.956 5.922 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.433 7.940 4.800 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.180 9.310 6.005 1.00 0.00 C ATOM 267 CD1 ILE A 18 -8.018 7.970 3.400 1.00 0.00 C ATOM 0 H ILE A 18 -6.040 8.596 6.981 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.608 7.695 8.062 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.241 7.205 5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.772 8.798 4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.818 7.046 4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.621 9.553 5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.963 9.273 6.762 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.451 10.075 6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.211 7.956 2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.655 7.098 3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.609 8.877 3.272 1.00 0.00 H new ATOM 279 N ASN A 19 -8.351 5.253 7.057 1.00 0.00 N ATOM 280 CA ASN A 19 -8.093 3.828 6.970 1.00 0.00 C ATOM 281 C ASN A 19 -8.022 3.396 5.519 1.00 0.00 C ATOM 282 O ASN A 19 -8.773 3.875 4.688 1.00 0.00 O ATOM 283 CB ASN A 19 -9.214 3.048 7.661 1.00 0.00 C ATOM 284 CG ASN A 19 -9.361 3.398 9.121 1.00 0.00 C ATOM 285 OD1 ASN A 19 -8.785 2.748 9.983 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.137 4.430 9.405 1.00 0.00 N ATOM 0 H ASN A 19 -9.338 5.499 6.982 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.142 3.621 7.461 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.156 3.245 7.149 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.018 1.980 7.567 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.275 4.713 10.375 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.598 4.943 8.654 1.00 0.00 H new ATOM 293 N LEU A 20 -7.098 2.528 5.217 1.00 0.00 N ATOM 294 CA LEU A 20 -6.976 1.951 3.888 1.00 0.00 C ATOM 295 C LEU A 20 -6.909 0.444 3.989 1.00 0.00 C ATOM 296 O LEU A 20 -6.638 -0.110 5.059 1.00 0.00 O ATOM 297 CB LEU A 20 -5.735 2.487 3.161 1.00 0.00 C ATOM 298 CG LEU A 20 -5.983 3.597 2.130 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.002 3.151 1.095 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.432 4.878 2.805 1.00 0.00 C ATOM 0 H LEU A 20 -6.400 2.193 5.881 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.854 2.237 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.035 2.863 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.246 1.653 2.657 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.041 3.798 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.163 3.952 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.631 2.266 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.944 2.914 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.600 5.647 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.358 4.696 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.661 5.213 3.499 1.00 0.00 H new ATOM 312 N LYS A 21 -7.175 -0.225 2.895 1.00 0.00 N ATOM 313 CA LYS A 21 -7.151 -1.665 2.858 1.00 0.00 C ATOM 314 C LYS A 21 -6.464 -2.141 1.612 1.00 0.00 C ATOM 315 O LYS A 21 -6.544 -1.511 0.563 1.00 0.00 O ATOM 316 CB LYS A 21 -8.565 -2.217 2.896 1.00 0.00 C ATOM 317 CG LYS A 21 -9.297 -1.918 4.177 1.00 0.00 C ATOM 318 CD LYS A 21 -10.785 -2.193 4.057 1.00 0.00 C ATOM 319 CE LYS A 21 -11.083 -3.669 3.846 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.539 -3.914 3.665 1.00 0.00 N ATOM 0 H LYS A 21 -7.414 0.213 2.006 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.603 -2.021 3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.130 -1.804 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.528 -3.297 2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.880 -2.522 4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.142 -0.874 4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.290 -1.848 4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.192 -1.620 3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.542 -4.028 2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.721 -4.240 4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.705 -4.931 3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.053 -3.594 4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.879 -3.389 2.834 1.00 0.00 H new ATOM 334 N VAL A 22 -5.791 -3.248 1.714 1.00 0.00 N ATOM 335 CA VAL A 22 -5.105 -3.815 0.578 1.00 0.00 C ATOM 336 C VAL A 22 -5.487 -5.270 0.395 1.00 0.00 C ATOM 337 O VAL A 22 -5.252 -6.109 1.272 1.00 0.00 O ATOM 338 CB VAL A 22 -3.572 -3.687 0.696 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.899 -4.424 -0.432 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.153 -2.228 0.679 1.00 0.00 C ATOM 0 H VAL A 22 -5.699 -3.784 2.577 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.418 -3.245 -0.297 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.265 -4.128 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.818 -4.326 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.172 -5.478 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.219 -4.002 -1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.068 -2.160 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.474 -1.768 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.615 -1.707 1.517 1.00 0.00 H new ATOM 350 N ALA A 23 -6.101 -5.560 -0.731 1.00 0.00 N ATOM 351 CA ALA A 23 -6.513 -6.903 -1.060 1.00 0.00 C ATOM 352 C ALA A 23 -5.396 -7.624 -1.769 1.00 0.00 C ATOM 353 O ALA A 23 -4.963 -7.221 -2.849 1.00 0.00 O ATOM 354 CB ALA A 23 -7.767 -6.891 -1.917 1.00 0.00 C ATOM 0 H ALA A 23 -6.328 -4.868 -1.445 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.744 -7.431 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.057 -7.915 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.574 -6.400 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.570 -6.349 -2.842 1.00 0.00 H new ATOM 360 N GLY A 24 -4.928 -8.683 -1.171 1.00 0.00 N ATOM 361 CA GLY A 24 -3.863 -9.429 -1.750 1.00 0.00 C ATOM 362 C GLY A 24 -4.381 -10.451 -2.717 1.00 0.00 C ATOM 363 O GLY A 24 -5.551 -10.832 -2.663 1.00 0.00 O ATOM 0 H GLY A 24 -5.272 -9.044 -0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.179 -8.753 -2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.293 -9.924 -0.964 1.00 0.00 H new ATOM 367 N GLN A 25 -3.517 -10.923 -3.588 1.00 0.00 N ATOM 368 CA GLN A 25 -3.892 -11.926 -4.584 1.00 0.00 C ATOM 369 C GLN A 25 -4.220 -13.266 -3.921 1.00 0.00 C ATOM 370 O GLN A 25 -4.693 -14.204 -4.560 1.00 0.00 O ATOM 371 CB GLN A 25 -2.793 -12.093 -5.639 1.00 0.00 C ATOM 372 CG GLN A 25 -1.357 -12.065 -5.104 1.00 0.00 C ATOM 373 CD GLN A 25 -1.130 -12.955 -3.895 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.176 -12.494 -2.755 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.952 -14.233 -4.133 1.00 0.00 N ATOM 0 H GLN A 25 -2.541 -10.631 -3.634 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.791 -11.572 -5.088 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.951 -13.039 -6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.902 -11.302 -6.381 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.678 -12.371 -5.900 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.098 -11.039 -4.841 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.920 -14.573 -5.094 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.846 -14.886 -3.357 1.00 0.00 H new ATOM 384 N ASP A 26 -3.934 -13.347 -2.635 1.00 0.00 N ATOM 385 CA ASP A 26 -4.232 -14.520 -1.833 1.00 0.00 C ATOM 386 C ASP A 26 -5.731 -14.581 -1.541 1.00 0.00 C ATOM 387 O ASP A 26 -6.269 -15.619 -1.158 1.00 0.00 O ATOM 388 CB ASP A 26 -3.434 -14.457 -0.523 1.00 0.00 C ATOM 389 CG ASP A 26 -3.614 -15.681 0.350 1.00 0.00 C ATOM 390 OD1 ASP A 26 -2.928 -16.697 0.106 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.424 -15.628 1.297 1.00 0.00 O ATOM 0 H ASP A 26 -3.485 -12.595 -2.113 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.948 -15.419 -2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.376 -14.339 -0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.738 -13.573 0.037 1.00 0.00 H new ATOM 396 N GLY A 27 -6.407 -13.459 -1.757 1.00 0.00 N ATOM 397 CA GLY A 27 -7.841 -13.381 -1.508 1.00 0.00 C ATOM 398 C GLY A 27 -8.163 -12.770 -0.155 1.00 0.00 C ATOM 399 O GLY A 27 -9.319 -12.731 0.269 1.00 0.00 O ATOM 0 H GLY A 27 -5.988 -12.595 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.311 -12.788 -2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.271 -14.381 -1.563 1.00 0.00 H new ATOM 403 N SER A 28 -7.144 -12.280 0.517 1.00 0.00 N ATOM 404 CA SER A 28 -7.300 -11.699 1.830 1.00 0.00 C ATOM 405 C SER A 28 -7.087 -10.208 1.751 1.00 0.00 C ATOM 406 O SER A 28 -6.595 -9.695 0.745 1.00 0.00 O ATOM 407 CB SER A 28 -6.307 -12.335 2.809 1.00 0.00 C ATOM 408 OG SER A 28 -6.556 -11.923 4.144 1.00 0.00 O ATOM 0 H SER A 28 -6.186 -12.274 0.168 1.00 0.00 H new ATOM 0 HA SER A 28 -8.309 -11.892 2.193 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.375 -13.421 2.744 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.290 -12.062 2.526 1.00 0.00 H new ATOM 0 HG SER A 28 -5.907 -12.347 4.744 1.00 0.00 H new ATOM 414 N VAL A 29 -7.440 -9.503 2.793 1.00 0.00 N ATOM 415 CA VAL A 29 -7.301 -8.078 2.793 1.00 0.00 C ATOM 416 C VAL A 29 -6.800 -7.584 4.144 1.00 0.00 C ATOM 417 O VAL A 29 -7.186 -8.097 5.195 1.00 0.00 O ATOM 418 CB VAL A 29 -8.639 -7.381 2.429 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.684 -7.575 3.521 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.430 -5.904 2.145 1.00 0.00 C ATOM 0 H VAL A 29 -7.826 -9.896 3.651 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.565 -7.819 2.032 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.013 -7.852 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.608 -7.074 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.875 -8.639 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.317 -7.150 4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.385 -5.443 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.015 -5.419 3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.740 -5.788 1.309 1.00 0.00 H new ATOM 430 N VAL A 30 -5.917 -6.616 4.116 1.00 0.00 N ATOM 431 CA VAL A 30 -5.388 -6.037 5.331 1.00 0.00 C ATOM 432 C VAL A 30 -6.028 -4.677 5.582 1.00 0.00 C ATOM 433 O VAL A 30 -6.270 -3.913 4.644 1.00 0.00 O ATOM 434 CB VAL A 30 -3.843 -5.875 5.256 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.440 -4.960 4.113 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.286 -5.364 6.573 1.00 0.00 C ATOM 0 H VAL A 30 -5.546 -6.208 3.258 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.624 -6.714 6.152 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.417 -6.860 5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.354 -4.867 4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.791 -5.379 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.885 -3.976 4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.204 -5.259 6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.728 -4.395 6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.525 -6.070 7.368 1.00 0.00 H new ATOM 446 N GLN A 31 -6.335 -4.378 6.833 1.00 0.00 N ATOM 447 CA GLN A 31 -6.901 -3.099 7.188 1.00 0.00 C ATOM 448 C GLN A 31 -5.918 -2.327 8.047 1.00 0.00 C ATOM 449 O GLN A 31 -5.468 -2.800 9.090 1.00 0.00 O ATOM 450 CB GLN A 31 -8.202 -3.299 7.915 1.00 0.00 C ATOM 451 CG GLN A 31 -9.085 -4.328 7.245 1.00 0.00 C ATOM 452 CD GLN A 31 -10.432 -4.434 7.873 1.00 0.00 C ATOM 453 OE1 GLN A 31 -10.640 -5.215 8.794 1.00 0.00 O ATOM 454 NE2 GLN A 31 -11.356 -3.650 7.387 1.00 0.00 N ATOM 0 H GLN A 31 -6.199 -5.012 7.620 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.098 -2.524 6.283 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.998 -3.611 8.939 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.734 -2.349 7.971 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.200 -4.070 6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.594 -5.301 7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.135 -3.016 6.619 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.299 -3.671 7.775 1.00 0.00 H new ATOM 463 N PHE A 32 -5.583 -1.154 7.599 1.00 0.00 N ATOM 464 CA PHE A 32 -4.573 -0.332 8.244 1.00 0.00 C ATOM 465 C PHE A 32 -4.894 1.138 8.106 1.00 0.00 C ATOM 466 O PHE A 32 -5.786 1.525 7.362 1.00 0.00 O ATOM 467 CB PHE A 32 -3.193 -0.618 7.651 1.00 0.00 C ATOM 468 CG PHE A 32 -3.141 -0.458 6.155 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.752 -1.384 5.324 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.501 0.624 5.580 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.726 -1.235 3.963 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.476 0.778 4.223 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.090 -0.151 3.409 1.00 0.00 C ATOM 0 H PHE A 32 -5.999 -0.727 6.771 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.567 -0.585 9.304 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.464 0.052 8.106 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.897 -1.634 7.911 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.256 -2.236 5.756 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.016 1.355 6.210 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.203 -1.967 3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.974 1.629 3.786 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.071 -0.026 2.336 1.00 0.00 H new ATOM 483 N LYS A 33 -4.177 1.962 8.835 1.00 0.00 N ATOM 484 CA LYS A 33 -4.411 3.387 8.804 1.00 0.00 C ATOM 485 C LYS A 33 -3.214 4.136 8.233 1.00 0.00 C ATOM 486 O LYS A 33 -2.064 3.748 8.437 1.00 0.00 O ATOM 487 CB LYS A 33 -4.749 3.885 10.198 1.00 0.00 C ATOM 488 CG LYS A 33 -5.865 3.094 10.845 1.00 0.00 C ATOM 489 CD LYS A 33 -6.391 3.763 12.103 1.00 0.00 C ATOM 490 CE LYS A 33 -5.389 3.684 13.233 1.00 0.00 C ATOM 491 NZ LYS A 33 -5.103 2.276 13.620 1.00 0.00 N ATOM 0 H LYS A 33 -3.425 1.669 9.458 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.257 3.582 8.145 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.859 3.830 10.825 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.037 4.935 10.145 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.681 2.972 10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.504 2.095 11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.621 4.807 11.892 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.323 3.286 12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.463 4.174 12.932 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.771 4.228 14.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.716 2.253 14.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.982 1.721 13.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.411 1.868 12.960 1.00 0.00 H new ATOM 505 N ILE A 34 -3.491 5.207 7.501 1.00 0.00 N ATOM 506 CA ILE A 34 -2.451 6.019 6.888 1.00 0.00 C ATOM 507 C ILE A 34 -2.903 7.485 6.815 1.00 0.00 C ATOM 508 O ILE A 34 -4.095 7.776 6.663 1.00 0.00 O ATOM 509 CB ILE A 34 -2.091 5.490 5.467 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.001 6.350 4.816 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.330 5.428 4.582 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.515 5.819 3.484 1.00 0.00 C ATOM 0 H ILE A 34 -4.439 5.535 7.317 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.556 5.953 7.507 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.699 4.479 5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.385 7.360 4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.154 6.423 5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.054 5.056 3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.064 4.758 5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.759 6.425 4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.254 6.481 3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.100 4.821 3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.350 5.772 2.784 1.00 0.00 H new ATOM 524 N LYS A 35 -1.965 8.414 6.958 1.00 0.00 N ATOM 525 CA LYS A 35 -2.299 9.832 6.927 1.00 0.00 C ATOM 526 C LYS A 35 -2.439 10.322 5.515 1.00 0.00 C ATOM 527 O LYS A 35 -1.871 9.757 4.588 1.00 0.00 O ATOM 528 CB LYS A 35 -1.260 10.669 7.655 1.00 0.00 C ATOM 529 CG LYS A 35 -0.881 10.129 9.016 1.00 0.00 C ATOM 530 CD LYS A 35 -0.420 11.242 9.944 1.00 0.00 C ATOM 531 CE LYS A 35 0.877 11.873 9.466 1.00 0.00 C ATOM 532 NZ LYS A 35 1.238 13.070 10.262 1.00 0.00 N ATOM 0 H LYS A 35 -0.975 8.213 7.096 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.254 9.944 7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.363 10.734 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.641 11.683 7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.736 9.616 9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.087 9.390 8.908 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.194 12.006 10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.282 10.844 10.949 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.681 11.140 9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.780 12.151 8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.958 13.621 9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.392 13.657 10.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.617 12.773 11.184 1.00 0.00 H new ATOM 546 N ARG A 36 -3.200 11.384 5.345 1.00 0.00 N ATOM 547 CA ARG A 36 -3.441 11.967 4.037 1.00 0.00 C ATOM 548 C ARG A 36 -2.136 12.436 3.395 1.00 0.00 C ATOM 549 O ARG A 36 -1.916 12.252 2.202 1.00 0.00 O ATOM 550 CB ARG A 36 -4.427 13.143 4.156 1.00 0.00 C ATOM 551 CG ARG A 36 -5.679 12.848 4.989 1.00 0.00 C ATOM 552 CD ARG A 36 -6.294 11.483 4.665 1.00 0.00 C ATOM 553 NE ARG A 36 -6.605 11.316 3.237 1.00 0.00 N ATOM 554 CZ ARG A 36 -7.834 11.416 2.703 1.00 0.00 C ATOM 555 NH1 ARG A 36 -8.865 11.773 3.454 1.00 0.00 N ATOM 556 NH2 ARG A 36 -8.018 11.170 1.408 1.00 0.00 N ATOM 0 H ARG A 36 -3.670 11.869 6.109 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.876 11.199 3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.906 13.993 4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.736 13.443 3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.423 12.885 6.048 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.420 13.627 4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.605 10.698 4.975 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.207 11.355 5.247 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.831 11.109 2.606 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.729 11.974 4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.795 11.847 3.042 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.226 10.906 0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.951 11.246 1.002 1.00 0.00 H new ATOM 570 N HIS A 37 -1.261 13.024 4.204 1.00 0.00 N ATOM 571 CA HIS A 37 0.026 13.533 3.721 1.00 0.00 C ATOM 572 C HIS A 37 1.124 12.493 3.872 1.00 0.00 C ATOM 573 O HIS A 37 2.310 12.787 3.701 1.00 0.00 O ATOM 574 CB HIS A 37 0.411 14.810 4.466 1.00 0.00 C ATOM 575 CG HIS A 37 -0.281 16.035 3.957 1.00 0.00 C ATOM 576 ND1 HIS A 37 0.393 17.134 3.479 1.00 0.00 N ATOM 577 CD2 HIS A 37 -1.597 16.331 3.851 1.00 0.00 C ATOM 578 CE1 HIS A 37 -0.474 18.050 3.099 1.00 0.00 C ATOM 579 NE2 HIS A 37 -1.689 17.586 3.314 1.00 0.00 N ATOM 0 H HIS A 37 -1.417 13.162 5.202 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.086 13.759 2.661 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.180 14.686 5.524 1.00 0.00 H new ATOM 0 HB3 HIS A 37 1.489 14.954 4.389 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.422 15.695 4.137 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.231 19.016 2.682 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.557 18.082 3.113 1.00 0.00 H new ATOM 588 N THR A 38 0.736 11.285 4.194 1.00 0.00 N ATOM 589 CA THR A 38 1.670 10.207 4.355 1.00 0.00 C ATOM 590 C THR A 38 1.775 9.396 3.064 1.00 0.00 C ATOM 591 O THR A 38 0.763 9.010 2.486 1.00 0.00 O ATOM 592 CB THR A 38 1.274 9.302 5.537 1.00 0.00 C ATOM 593 OG1 THR A 38 1.509 10.003 6.761 1.00 0.00 O ATOM 594 CG2 THR A 38 2.070 8.011 5.529 1.00 0.00 C ATOM 0 H THR A 38 -0.237 11.024 4.351 1.00 0.00 H new ATOM 0 HA THR A 38 2.648 10.635 4.576 1.00 0.00 H new ATOM 0 HB THR A 38 0.218 9.049 5.444 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.569 9.361 7.499 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.769 7.393 6.375 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.881 7.473 4.600 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.133 8.239 5.606 1.00 0.00 H new ATOM 602 N PRO A 39 3.002 9.146 2.593 1.00 0.00 N ATOM 603 CA PRO A 39 3.239 8.401 1.355 1.00 0.00 C ATOM 604 C PRO A 39 2.820 6.934 1.452 1.00 0.00 C ATOM 605 O PRO A 39 2.872 6.317 2.528 1.00 0.00 O ATOM 606 CB PRO A 39 4.753 8.499 1.163 1.00 0.00 C ATOM 607 CG PRO A 39 5.295 8.762 2.522 1.00 0.00 C ATOM 608 CD PRO A 39 4.260 9.577 3.228 1.00 0.00 C ATOM 0 HA PRO A 39 2.655 8.808 0.530 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.159 7.577 0.747 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.012 9.301 0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.486 7.829 3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.243 9.298 2.467 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.257 9.383 4.301 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.431 10.646 3.098 1.00 0.00 H new ATOM 616 N LEU A 40 2.420 6.370 0.315 1.00 0.00 N ATOM 617 CA LEU A 40 2.010 4.970 0.210 1.00 0.00 C ATOM 618 C LEU A 40 3.149 4.018 0.563 1.00 0.00 C ATOM 619 O LEU A 40 2.939 2.823 0.712 1.00 0.00 O ATOM 620 CB LEU A 40 1.504 4.674 -1.204 1.00 0.00 C ATOM 621 CG LEU A 40 0.236 5.415 -1.622 1.00 0.00 C ATOM 622 CD1 LEU A 40 -0.032 5.222 -3.100 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.956 4.954 -0.808 1.00 0.00 C ATOM 0 H LEU A 40 2.371 6.876 -0.569 1.00 0.00 H new ATOM 0 HA LEU A 40 1.205 4.808 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.296 4.919 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.321 3.603 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 40 0.390 6.477 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.940 5.758 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.809 5.609 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.158 4.160 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.846 5.498 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.110 3.886 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.771 5.147 0.249 1.00 0.00 H new ATOM 635 N SER A 41 4.360 4.548 0.658 1.00 0.00 N ATOM 636 CA SER A 41 5.534 3.761 1.012 1.00 0.00 C ATOM 637 C SER A 41 5.284 2.946 2.287 1.00 0.00 C ATOM 638 O SER A 41 5.581 1.747 2.344 1.00 0.00 O ATOM 639 CB SER A 41 6.740 4.687 1.194 1.00 0.00 C ATOM 640 OG SER A 41 7.963 3.962 1.222 1.00 0.00 O ATOM 0 H SER A 41 4.557 5.535 0.492 1.00 0.00 H new ATOM 0 HA SER A 41 5.741 3.060 0.204 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.767 5.413 0.382 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.630 5.250 2.121 1.00 0.00 H new ATOM 0 HG SER A 41 8.331 3.906 0.315 1.00 0.00 H new HETATM 646 OH ALY A 42 1.319 2.995 10.437 1.00 0.00 O HETATM 647 CH ALY A 42 0.789 2.366 9.513 1.00 0.00 C HETATM 648 CH3 ALY A 42 0.101 1.048 9.745 1.00 0.00 C HETATM 649 NZ ALY A 42 0.754 2.829 8.275 1.00 0.00 N HETATM 650 CE ALY A 42 1.806 3.644 7.683 1.00 0.00 C HETATM 651 CD ALY A 42 1.611 3.825 6.183 1.00 0.00 C HETATM 652 CG ALY A 42 2.755 4.620 5.546 1.00 0.00 C HETATM 653 CB ALY A 42 4.100 3.905 5.672 1.00 0.00 C HETATM 654 CA ALY A 42 4.413 2.897 4.549 1.00 0.00 C HETATM 655 N ALY A 42 4.705 3.585 3.305 1.00 0.00 N HETATM 656 C ALY A 42 3.266 1.912 4.345 1.00 0.00 C HETATM 657 O ALY A 42 3.222 0.861 4.962 1.00 0.00 O HETATM 0 HH33 ALY A 42 0.815 0.332 10.152 1.00 0.00 H new HETATM 0 HH32 ALY A 42 -0.718 1.185 10.451 1.00 0.00 H new HETATM 0 HH31 ALY A 42 -0.292 0.672 8.801 1.00 0.00 H new HETATM 0 HZ ALY A 42 -0.058 2.602 7.701 1.00 0.00 H new HETATM 0 HG3 ALY A 42 2.821 5.600 6.019 1.00 0.00 H new HETATM 0 HG2 ALY A 42 2.534 4.790 4.492 1.00 0.00 H new HETATM 0 HE3 ALY A 42 2.774 3.178 7.869 1.00 0.00 H new HETATM 0 HE2 ALY A 42 1.824 4.621 8.167 1.00 0.00 H new HETATM 0 HD3 ALY A 42 0.667 4.338 6.000 1.00 0.00 H new HETATM 0 HD2 ALY A 42 1.540 2.847 5.706 1.00 0.00 H new HETATM 0 HCA ALY A 42 5.294 2.333 4.856 1.00 0.00 H new HETATM 0 HB3 ALY A 42 4.127 3.381 6.627 1.00 0.00 H new HETATM 0 HB2 ALY A 42 4.891 4.654 5.697 1.00 0.00 H new HETATM 0 H ALY A 42 4.683 4.604 3.269 1.00 0.00 H new ATOM 672 N LEU A 43 2.336 2.269 3.463 1.00 0.00 N ATOM 673 CA LEU A 43 1.203 1.412 3.124 1.00 0.00 C ATOM 674 C LEU A 43 1.695 0.109 2.494 1.00 0.00 C ATOM 675 O LEU A 43 1.279 -0.988 2.883 1.00 0.00 O ATOM 676 CB LEU A 43 0.234 2.173 2.176 1.00 0.00 C ATOM 677 CG LEU A 43 -0.813 1.334 1.419 1.00 0.00 C ATOM 678 CD1 LEU A 43 -2.033 2.176 1.093 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.229 0.786 0.126 1.00 0.00 C ATOM 0 H LEU A 43 2.346 3.159 2.964 1.00 0.00 H new ATOM 0 HA LEU A 43 0.658 1.155 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.295 2.923 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.833 2.710 1.440 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.105 0.504 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.763 1.568 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.477 2.546 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.737 3.019 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.985 0.196 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.086 1.613 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.630 0.155 0.353 1.00 0.00 H new ATOM 691 N MET A 44 2.593 0.237 1.525 1.00 0.00 N ATOM 692 CA MET A 44 3.170 -0.914 0.848 1.00 0.00 C ATOM 693 C MET A 44 3.961 -1.763 1.819 1.00 0.00 C ATOM 694 O MET A 44 3.920 -2.993 1.768 1.00 0.00 O ATOM 695 CB MET A 44 4.061 -0.459 -0.308 1.00 0.00 C ATOM 696 CG MET A 44 3.300 -0.123 -1.578 1.00 0.00 C ATOM 697 SD MET A 44 4.191 1.009 -2.647 1.00 0.00 S ATOM 698 CE MET A 44 3.012 1.193 -3.974 1.00 0.00 C ATOM 0 H MET A 44 2.939 1.136 1.189 1.00 0.00 H new ATOM 0 HA MET A 44 2.357 -1.519 0.446 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.628 0.417 0.007 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.784 -1.245 -0.527 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.091 -1.043 -2.125 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.338 0.316 -1.314 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.400 0.716 -4.874 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.070 0.723 -3.691 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.845 2.253 -4.168 1.00 0.00 H new ATOM 708 N LYS A 45 4.676 -1.109 2.720 1.00 0.00 N ATOM 709 CA LYS A 45 5.446 -1.809 3.725 1.00 0.00 C ATOM 710 C LYS A 45 4.517 -2.513 4.705 1.00 0.00 C ATOM 711 O LYS A 45 4.721 -3.666 5.031 1.00 0.00 O ATOM 712 CB LYS A 45 6.382 -0.842 4.463 1.00 0.00 C ATOM 713 CG LYS A 45 7.225 -1.494 5.561 1.00 0.00 C ATOM 714 CD LYS A 45 8.108 -2.620 5.027 1.00 0.00 C ATOM 715 CE LYS A 45 9.165 -2.095 4.058 1.00 0.00 C ATOM 716 NZ LYS A 45 10.045 -1.073 4.684 1.00 0.00 N ATOM 0 H LYS A 45 4.737 -0.092 2.773 1.00 0.00 H new ATOM 0 HA LYS A 45 6.060 -2.561 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.049 -0.376 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.785 -0.044 4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.852 -0.737 6.032 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.566 -1.888 6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.596 -3.126 5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.488 -3.361 4.523 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.773 -2.926 3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.673 -1.663 3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.880 -0.920 4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.522 -0.180 4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.349 -1.404 5.622 1.00 0.00 H new ATOM 730 N ALA A 46 3.472 -1.816 5.144 1.00 0.00 N ATOM 731 CA ALA A 46 2.505 -2.371 6.087 1.00 0.00 C ATOM 732 C ALA A 46 1.941 -3.687 5.578 1.00 0.00 C ATOM 733 O ALA A 46 1.989 -4.704 6.268 1.00 0.00 O ATOM 734 CB ALA A 46 1.379 -1.380 6.348 1.00 0.00 C ATOM 0 H ALA A 46 3.272 -0.857 4.859 1.00 0.00 H new ATOM 0 HA ALA A 46 3.025 -2.562 7.026 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.669 -1.813 7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.792 -0.462 6.766 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.868 -1.155 5.412 1.00 0.00 H new ATOM 740 N TYR A 47 1.424 -3.681 4.353 1.00 0.00 N ATOM 741 CA TYR A 47 0.885 -4.889 3.753 1.00 0.00 C ATOM 742 C TYR A 47 1.974 -5.959 3.641 1.00 0.00 C ATOM 743 O TYR A 47 1.738 -7.149 3.912 1.00 0.00 O ATOM 744 CB TYR A 47 0.289 -4.587 2.374 1.00 0.00 C ATOM 745 CG TYR A 47 -0.040 -5.826 1.572 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.262 -6.457 1.709 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.881 -6.367 0.688 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.564 -7.592 0.990 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.591 -7.500 -0.037 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.634 -8.111 0.116 1.00 0.00 C ATOM 751 OH TYR A 47 -0.927 -9.249 -0.602 1.00 0.00 O ATOM 0 H TYR A 47 1.369 -2.853 3.760 1.00 0.00 H new ATOM 0 HA TYR A 47 0.090 -5.267 4.395 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.618 -3.995 2.501 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.993 -3.975 1.809 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.994 -6.052 2.393 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.843 -5.891 0.566 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.524 -8.072 1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.320 -7.908 -0.722 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.165 -9.481 -1.172 1.00 0.00 H new ATOM 761 N CYS A 48 3.162 -5.525 3.249 1.00 0.00 N ATOM 762 CA CYS A 48 4.321 -6.404 3.105 1.00 0.00 C ATOM 763 C CYS A 48 4.638 -7.120 4.412 1.00 0.00 C ATOM 764 O CYS A 48 4.930 -8.320 4.425 1.00 0.00 O ATOM 765 CB CYS A 48 5.535 -5.587 2.619 1.00 0.00 C ATOM 766 SG CYS A 48 7.149 -6.184 3.166 1.00 0.00 S ATOM 0 H CYS A 48 3.354 -4.550 3.020 1.00 0.00 H new ATOM 0 HA CYS A 48 4.087 -7.168 2.364 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.525 -5.569 1.529 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.415 -4.557 2.956 1.00 0.00 H new ATOM 0 HG CYS A 48 7.202 -7.476 3.033 1.00 0.00 H new ATOM 772 N GLU A 49 4.551 -6.395 5.509 1.00 0.00 N ATOM 773 CA GLU A 49 4.859 -6.944 6.818 1.00 0.00 C ATOM 774 C GLU A 49 3.778 -7.925 7.275 1.00 0.00 C ATOM 775 O GLU A 49 4.070 -8.994 7.815 1.00 0.00 O ATOM 776 CB GLU A 49 4.997 -5.825 7.842 1.00 0.00 C ATOM 777 CG GLU A 49 5.973 -4.738 7.442 1.00 0.00 C ATOM 778 CD GLU A 49 6.412 -3.896 8.616 1.00 0.00 C ATOM 779 OE1 GLU A 49 5.636 -3.017 9.047 1.00 0.00 O ATOM 780 OE2 GLU A 49 7.538 -4.106 9.118 1.00 0.00 O ATOM 0 H GLU A 49 4.267 -5.415 5.521 1.00 0.00 H new ATOM 0 HA GLU A 49 5.804 -7.482 6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.018 -5.376 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.316 -6.254 8.792 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.848 -5.193 6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.511 -4.097 6.692 1.00 0.00 H new ATOM 787 N ARG A 50 2.521 -7.558 7.051 1.00 0.00 N ATOM 788 CA ARG A 50 1.383 -8.382 7.469 1.00 0.00 C ATOM 789 C ARG A 50 1.354 -9.706 6.720 1.00 0.00 C ATOM 790 O ARG A 50 1.250 -10.771 7.316 1.00 0.00 O ATOM 791 CB ARG A 50 0.068 -7.640 7.223 1.00 0.00 C ATOM 792 CG ARG A 50 0.010 -6.254 7.826 1.00 0.00 C ATOM 793 CD ARG A 50 0.078 -6.294 9.336 1.00 0.00 C ATOM 794 NE ARG A 50 0.185 -4.957 9.910 1.00 0.00 N ATOM 795 CZ ARG A 50 -0.786 -4.346 10.592 1.00 0.00 C ATOM 796 NH1 ARG A 50 -1.965 -4.938 10.767 1.00 0.00 N ATOM 797 NH2 ARG A 50 -0.577 -3.140 11.097 1.00 0.00 N ATOM 0 H ARG A 50 2.259 -6.692 6.580 1.00 0.00 H new ATOM 0 HA ARG A 50 1.499 -8.583 8.534 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.096 -7.562 6.148 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.751 -8.234 7.628 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.836 -5.656 7.441 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.912 -5.762 7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.812 -6.787 9.727 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.935 -6.892 9.645 1.00 0.00 H new ATOM 0 HE ARG A 50 1.063 -4.454 9.781 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.132 -5.866 10.379 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.701 -4.464 11.290 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.324 -2.681 10.964 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.317 -2.670 11.619 1.00 0.00 H new ATOM 811 N GLN A 51 1.447 -9.630 5.408 1.00 0.00 N ATOM 812 CA GLN A 51 1.378 -10.814 4.564 1.00 0.00 C ATOM 813 C GLN A 51 2.679 -11.601 4.561 1.00 0.00 C ATOM 814 O GLN A 51 2.714 -12.753 4.126 1.00 0.00 O ATOM 815 CB GLN A 51 0.974 -10.440 3.137 1.00 0.00 C ATOM 816 CG GLN A 51 -0.527 -10.549 2.863 1.00 0.00 C ATOM 817 CD GLN A 51 -1.385 -9.642 3.743 1.00 0.00 C ATOM 818 OE1 GLN A 51 -0.869 -8.477 4.094 1.00 0.00 O flip ATOM 819 NE2 GLN A 51 -2.513 -9.980 4.080 1.00 0.00 N flip ATOM 0 H GLN A 51 1.571 -8.756 4.897 1.00 0.00 H new ATOM 0 HA GLN A 51 0.612 -11.462 4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.296 -9.418 2.936 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.507 -11.085 2.439 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.714 -10.306 1.817 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.839 -11.583 3.011 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.881 -10.887 3.792 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.084 -9.355 4.649 1.00 0.00 H new ATOM 828 N GLY A 52 3.752 -10.995 5.040 1.00 0.00 N ATOM 829 CA GLY A 52 5.019 -11.691 5.076 1.00 0.00 C ATOM 830 C GLY A 52 5.558 -11.931 3.688 1.00 0.00 C ATOM 831 O GLY A 52 5.822 -13.071 3.292 1.00 0.00 O ATOM 0 H GLY A 52 3.770 -10.042 5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.739 -11.109 5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.897 -12.644 5.590 1.00 0.00 H new ATOM 835 N LEU A 53 5.727 -10.863 2.947 1.00 0.00 N ATOM 836 CA LEU A 53 6.193 -10.936 1.580 1.00 0.00 C ATOM 837 C LEU A 53 7.040 -9.718 1.255 1.00 0.00 C ATOM 838 O LEU A 53 7.192 -8.829 2.084 1.00 0.00 O ATOM 839 CB LEU A 53 5.013 -11.103 0.592 1.00 0.00 C ATOM 840 CG LEU A 53 3.816 -10.156 0.767 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.175 -8.742 0.362 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.627 -10.656 -0.039 1.00 0.00 C ATOM 0 H LEU A 53 5.545 -9.914 3.275 1.00 0.00 H new ATOM 0 HA LEU A 53 6.819 -11.821 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.398 -10.978 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.649 -12.127 0.670 1.00 0.00 H new ATOM 0 HG LEU A 53 3.544 -10.143 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.309 -8.094 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.996 -8.383 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.479 -8.729 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.786 -9.976 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.895 -10.699 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.347 -11.651 0.305 1.00 0.00 H new ATOM 854 N SER A 54 7.601 -9.677 0.073 1.00 0.00 N ATOM 855 CA SER A 54 8.442 -8.572 -0.333 1.00 0.00 C ATOM 856 C SER A 54 7.677 -7.581 -1.210 1.00 0.00 C ATOM 857 O SER A 54 7.071 -7.961 -2.210 1.00 0.00 O ATOM 858 CB SER A 54 9.657 -9.109 -1.076 1.00 0.00 C ATOM 859 OG SER A 54 10.430 -9.945 -0.238 1.00 0.00 O ATOM 0 H SER A 54 7.490 -10.403 -0.634 1.00 0.00 H new ATOM 0 HA SER A 54 8.766 -8.037 0.560 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.334 -9.667 -1.955 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.267 -8.279 -1.432 1.00 0.00 H new ATOM 0 HG SER A 54 11.205 -10.281 -0.736 1.00 0.00 H new ATOM 865 N MET A 55 7.728 -6.296 -0.844 1.00 0.00 N ATOM 866 CA MET A 55 7.042 -5.234 -1.602 1.00 0.00 C ATOM 867 C MET A 55 7.597 -5.101 -3.024 1.00 0.00 C ATOM 868 O MET A 55 6.948 -4.553 -3.909 1.00 0.00 O ATOM 869 CB MET A 55 7.140 -3.879 -0.879 1.00 0.00 C ATOM 870 CG MET A 55 8.561 -3.472 -0.494 1.00 0.00 C ATOM 871 SD MET A 55 8.804 -1.684 -0.476 1.00 0.00 S ATOM 872 CE MET A 55 7.527 -1.169 0.664 1.00 0.00 C ATOM 0 H MET A 55 8.237 -5.961 -0.026 1.00 0.00 H new ATOM 0 HA MET A 55 5.993 -5.524 -1.668 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.715 -3.107 -1.520 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.529 -3.917 0.023 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.793 -3.874 0.492 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.264 -3.921 -1.195 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.729 -0.669 0.115 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.123 -2.042 1.176 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.949 -0.481 1.397 1.00 0.00 H new ATOM 882 N ARG A 56 8.800 -5.605 -3.238 1.00 0.00 N ATOM 883 CA ARG A 56 9.440 -5.546 -4.548 1.00 0.00 C ATOM 884 C ARG A 56 8.961 -6.686 -5.443 1.00 0.00 C ATOM 885 O ARG A 56 9.170 -6.677 -6.650 1.00 0.00 O ATOM 886 CB ARG A 56 10.956 -5.615 -4.393 1.00 0.00 C ATOM 887 CG ARG A 56 11.453 -6.912 -3.781 1.00 0.00 C ATOM 888 CD ARG A 56 12.959 -6.925 -3.656 1.00 0.00 C ATOM 889 NE ARG A 56 13.439 -5.890 -2.745 1.00 0.00 N ATOM 890 CZ ARG A 56 14.593 -5.946 -2.085 1.00 0.00 C ATOM 891 NH1 ARG A 56 15.375 -7.016 -2.187 1.00 0.00 N ATOM 892 NH2 ARG A 56 14.955 -4.936 -1.308 1.00 0.00 N ATOM 0 H ARG A 56 9.359 -6.063 -2.519 1.00 0.00 H new ATOM 0 HA ARG A 56 9.166 -4.601 -5.017 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.418 -5.486 -5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.286 -4.782 -3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.004 -7.046 -2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.131 -7.752 -4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.285 -7.902 -3.300 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.406 -6.779 -4.639 1.00 0.00 H new ATOM 0 HE ARG A 56 12.850 -5.069 -2.605 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.092 -7.801 -2.774 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.258 -7.052 -1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.350 -4.120 -1.218 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.839 -4.975 -0.800 1.00 0.00 H new ATOM 906 N GLN A 57 8.331 -7.681 -4.842 1.00 0.00 N ATOM 907 CA GLN A 57 7.850 -8.846 -5.580 1.00 0.00 C ATOM 908 C GLN A 57 6.366 -8.723 -5.855 1.00 0.00 C ATOM 909 O GLN A 57 5.733 -9.636 -6.388 1.00 0.00 O ATOM 910 CB GLN A 57 8.118 -10.113 -4.773 1.00 0.00 C ATOM 911 CG GLN A 57 9.568 -10.280 -4.365 1.00 0.00 C ATOM 912 CD GLN A 57 10.483 -10.591 -5.531 1.00 0.00 C ATOM 913 OE1 GLN A 57 10.985 -9.559 -6.181 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 10.731 -11.750 -5.848 1.00 0.00 N flip ATOM 0 H GLN A 57 8.138 -7.709 -3.841 1.00 0.00 H new ATOM 0 HA GLN A 57 8.380 -8.900 -6.531 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.497 -10.101 -3.877 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.813 -10.979 -5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.909 -9.367 -3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.642 -11.081 -3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.323 -12.522 -5.320 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.345 -11.942 -6.639 1.00 0.00 H new ATOM 923 N ILE A 58 5.806 -7.590 -5.496 1.00 0.00 N ATOM 924 CA ILE A 58 4.394 -7.355 -5.663 1.00 0.00 C ATOM 925 C ILE A 58 4.144 -5.975 -6.238 1.00 0.00 C ATOM 926 O ILE A 58 5.059 -5.155 -6.353 1.00 0.00 O ATOM 927 CB ILE A 58 3.632 -7.478 -4.324 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.235 -6.545 -3.290 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.661 -8.907 -3.818 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.397 -6.392 -2.046 1.00 0.00 C ATOM 0 H ILE A 58 6.316 -6.810 -5.082 1.00 0.00 H new ATOM 0 HA ILE A 58 4.027 -8.117 -6.351 1.00 0.00 H new ATOM 0 HB ILE A 58 2.593 -7.195 -4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.220 -6.917 -3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.381 -5.564 -3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.119 -8.970 -2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.191 -9.562 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.694 -9.218 -3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.893 -5.711 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.420 -5.990 -2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.272 -7.364 -1.570 1.00 0.00 H new ATOM 942 N ARG A 59 2.905 -5.716 -6.586 1.00 0.00 N ATOM 943 CA ARG A 59 2.509 -4.436 -7.129 1.00 0.00 C ATOM 944 C ARG A 59 1.152 -4.034 -6.614 1.00 0.00 C ATOM 945 O ARG A 59 0.297 -4.887 -6.339 1.00 0.00 O ATOM 946 CB ARG A 59 2.526 -4.447 -8.655 1.00 0.00 C ATOM 947 CG ARG A 59 3.912 -4.290 -9.253 1.00 0.00 C ATOM 948 CD ARG A 59 4.516 -2.941 -8.887 1.00 0.00 C ATOM 949 NE ARG A 59 3.784 -1.830 -9.492 1.00 0.00 N ATOM 950 CZ ARG A 59 3.686 -0.607 -8.968 1.00 0.00 C ATOM 951 NH1 ARG A 59 4.218 -0.339 -7.774 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.040 0.345 -9.636 1.00 0.00 N ATOM 0 H ARG A 59 2.142 -6.387 -6.501 1.00 0.00 H new ATOM 0 HA ARG A 59 3.237 -3.697 -6.795 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.092 -5.383 -9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.889 -3.642 -9.022 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.559 -5.091 -8.895 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.857 -4.385 -10.337 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.517 -2.827 -7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.556 -2.909 -9.212 1.00 0.00 H new ATOM 0 HE ARG A 59 3.313 -2.002 -10.380 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.703 -1.071 -7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.139 0.598 -7.379 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.623 0.138 -10.544 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.962 1.282 -9.241 1.00 0.00 H new ATOM 966 N PHE A 60 0.956 -2.729 -6.475 1.00 0.00 N ATOM 967 CA PHE A 60 -0.292 -2.178 -5.960 1.00 0.00 C ATOM 968 C PHE A 60 -1.017 -1.389 -7.038 1.00 0.00 C ATOM 969 O PHE A 60 -0.421 -0.527 -7.705 1.00 0.00 O ATOM 970 CB PHE A 60 -0.033 -1.258 -4.742 1.00 0.00 C ATOM 971 CG PHE A 60 0.472 -1.954 -3.514 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.711 -2.571 -3.503 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.287 -1.971 -2.360 1.00 0.00 C ATOM 974 CE1 PHE A 60 2.177 -3.193 -2.366 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.175 -2.593 -1.220 1.00 0.00 C ATOM 976 CZ PHE A 60 1.408 -3.205 -1.224 1.00 0.00 C ATOM 0 H PHE A 60 1.654 -2.025 -6.715 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.914 -3.016 -5.646 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.689 -0.494 -5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.960 -0.742 -4.493 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.319 -2.565 -4.396 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.254 -1.491 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.145 -3.671 -2.370 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.429 -2.600 -0.325 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.772 -3.694 -0.332 1.00 0.00 H new ATOM 986 N ARG A 61 -2.296 -1.670 -7.218 1.00 0.00 N ATOM 987 CA ARG A 61 -3.100 -0.947 -8.187 1.00 0.00 C ATOM 988 C ARG A 61 -4.445 -0.547 -7.594 1.00 0.00 C ATOM 989 O ARG A 61 -5.138 -1.350 -6.968 1.00 0.00 O ATOM 990 CB ARG A 61 -3.263 -1.749 -9.494 1.00 0.00 C ATOM 991 CG ARG A 61 -4.041 -3.042 -9.368 1.00 0.00 C ATOM 992 CD ARG A 61 -5.467 -2.924 -9.883 1.00 0.00 C ATOM 993 NE ARG A 61 -6.094 -4.245 -9.997 1.00 0.00 N ATOM 994 CZ ARG A 61 -7.000 -4.589 -10.912 1.00 0.00 C ATOM 995 NH1 ARG A 61 -7.438 -3.700 -11.800 1.00 0.00 N ATOM 996 NH2 ARG A 61 -7.466 -5.832 -10.937 1.00 0.00 N ATOM 0 H ARG A 61 -2.800 -2.394 -6.706 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.571 -0.028 -8.441 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.759 -1.116 -10.230 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.272 -1.977 -9.887 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.524 -3.827 -9.920 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.061 -3.348 -8.322 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.051 -2.297 -9.209 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.467 -2.432 -10.856 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.814 -4.957 -9.322 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.080 -2.745 -11.785 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.132 -3.974 -12.496 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.131 -6.516 -10.259 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.160 -6.103 -11.634 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.795 0.701 -7.779 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.021 1.259 -7.256 1.00 0.00 C ATOM 1012 C PHE A 62 -6.793 1.908 -8.380 1.00 0.00 C ATOM 1013 O PHE A 62 -6.218 2.587 -9.199 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.687 2.302 -6.185 1.00 0.00 C ATOM 1015 CG PHE A 62 -6.870 3.073 -5.677 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.718 2.523 -4.739 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.125 4.357 -6.138 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.802 3.233 -4.267 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.208 5.071 -5.672 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.048 4.509 -4.734 1.00 0.00 C ATOM 0 H PHE A 62 -4.230 1.369 -8.304 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.627 0.469 -6.812 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.208 1.800 -5.344 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.960 3.004 -6.594 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.531 1.525 -4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.467 4.802 -6.870 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.459 2.791 -3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.398 6.068 -6.041 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.897 5.066 -4.365 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.098 1.688 -8.425 1.00 0.00 N ATOM 1031 CA ASP A 63 -8.956 2.290 -9.465 1.00 0.00 C ATOM 1032 C ASP A 63 -8.486 1.898 -10.851 1.00 0.00 C ATOM 1033 O ASP A 63 -8.621 2.658 -11.811 1.00 0.00 O ATOM 1034 CB ASP A 63 -8.930 3.809 -9.361 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.181 4.451 -9.925 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.239 4.383 -9.261 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.117 5.013 -11.040 1.00 0.00 O ATOM 0 H ASP A 63 -8.597 1.099 -7.759 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.969 1.921 -9.306 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.818 4.096 -8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.058 4.191 -9.892 1.00 0.00 H new ATOM 1042 N GLY A 64 -7.947 0.714 -10.980 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.434 0.303 -12.258 1.00 0.00 C ATOM 1044 C GLY A 64 -6.084 0.916 -12.597 1.00 0.00 C ATOM 1045 O GLY A 64 -5.492 0.591 -13.623 1.00 0.00 O ATOM 0 H GLY A 64 -7.853 0.029 -10.230 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.344 -0.783 -12.272 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.152 0.574 -13.033 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.573 1.789 -11.742 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.306 2.443 -12.014 1.00 0.00 C ATOM 1051 C GLN A 65 -3.276 2.121 -10.936 1.00 0.00 C ATOM 1052 O GLN A 65 -3.578 2.131 -9.745 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.490 3.962 -12.166 1.00 0.00 C ATOM 1054 CG GLN A 65 -5.210 4.627 -11.008 1.00 0.00 C ATOM 1055 CD GLN A 65 -5.452 6.096 -11.238 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -4.637 6.943 -10.872 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.572 6.406 -11.848 1.00 0.00 N ATOM 0 H GLN A 65 -6.013 2.058 -10.862 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.929 2.055 -12.960 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.510 4.424 -12.282 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.045 4.158 -13.083 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.165 4.127 -10.845 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.623 4.498 -10.099 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.218 5.670 -12.133 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.796 7.383 -12.037 1.00 0.00 H new ATOM 1066 N PRO A 66 -2.056 1.801 -11.346 1.00 0.00 N ATOM 1067 CA PRO A 66 -0.971 1.480 -10.421 1.00 0.00 C ATOM 1068 C PRO A 66 -0.526 2.703 -9.621 1.00 0.00 C ATOM 1069 O PRO A 66 -0.624 3.840 -10.088 1.00 0.00 O ATOM 1070 CB PRO A 66 0.153 1.006 -11.346 1.00 0.00 C ATOM 1071 CG PRO A 66 -0.131 1.670 -12.646 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.627 1.730 -12.751 1.00 0.00 C ATOM 0 HA PRO A 66 -1.266 0.740 -9.678 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.132 1.291 -10.960 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.154 -0.079 -11.446 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.305 2.669 -12.679 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.298 1.107 -13.475 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.957 2.601 -13.318 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.032 0.851 -13.252 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.039 2.475 -8.414 1.00 0.00 N ATOM 1081 CA ILE A 67 0.413 3.565 -7.566 1.00 0.00 C ATOM 1082 C ILE A 67 1.802 3.317 -7.051 1.00 0.00 C ATOM 1083 O ILE A 67 2.202 2.181 -6.779 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.534 3.875 -6.363 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -0.878 2.608 -5.546 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.794 4.595 -6.831 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.017 1.787 -6.108 1.00 0.00 C ATOM 0 H ILE A 67 0.054 1.548 -7.999 1.00 0.00 H new ATOM 0 HA ILE A 67 0.404 4.442 -8.214 1.00 0.00 H new ATOM 0 HB ILE A 67 0.007 4.542 -5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.010 1.979 -5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.129 2.905 -4.528 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.436 4.799 -5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.519 5.535 -7.310 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.329 3.967 -7.543 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.188 0.919 -5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.921 2.395 -6.143 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.764 1.455 -7.115 1.00 0.00 H new ATOM 1099 N ASN A 68 2.552 4.378 -6.969 1.00 0.00 N ATOM 1100 CA ASN A 68 3.892 4.350 -6.451 1.00 0.00 C ATOM 1101 C ASN A 68 3.893 4.741 -4.994 1.00 0.00 C ATOM 1102 O ASN A 68 3.017 5.470 -4.535 1.00 0.00 O ATOM 1103 CB ASN A 68 4.781 5.295 -7.262 1.00 0.00 C ATOM 1104 CG ASN A 68 3.998 6.463 -7.847 1.00 0.00 C ATOM 1105 OD1 ASN A 68 3.501 6.391 -8.970 1.00 0.00 O ATOM 1106 ND2 ASN A 68 3.864 7.526 -7.091 1.00 0.00 N ATOM 0 H ASN A 68 2.245 5.304 -7.265 1.00 0.00 H new ATOM 0 HA ASN A 68 4.288 3.338 -6.536 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.578 5.677 -6.624 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.258 4.739 -8.069 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.333 8.329 -7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.290 7.550 -6.165 1.00 0.00 H new ATOM 1113 N GLU A 69 4.884 4.270 -4.262 1.00 0.00 N ATOM 1114 CA GLU A 69 5.002 4.553 -2.835 1.00 0.00 C ATOM 1115 C GLU A 69 5.214 6.039 -2.570 1.00 0.00 C ATOM 1116 O GLU A 69 5.017 6.522 -1.454 1.00 0.00 O ATOM 1117 CB GLU A 69 6.149 3.753 -2.237 1.00 0.00 C ATOM 1118 CG GLU A 69 7.406 3.764 -3.075 1.00 0.00 C ATOM 1119 CD GLU A 69 8.625 3.358 -2.285 1.00 0.00 C ATOM 1120 OE1 GLU A 69 8.989 4.085 -1.332 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.224 2.311 -2.604 1.00 0.00 O ATOM 0 H GLU A 69 5.630 3.682 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 69 4.065 4.259 -2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.380 4.151 -1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.826 2.721 -2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.282 3.087 -3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.558 4.762 -3.485 1.00 0.00 H new ATOM 1128 N THR A 70 5.607 6.761 -3.601 1.00 0.00 N ATOM 1129 CA THR A 70 5.864 8.181 -3.501 1.00 0.00 C ATOM 1130 C THR A 70 4.567 8.986 -3.586 1.00 0.00 C ATOM 1131 O THR A 70 4.564 10.206 -3.433 1.00 0.00 O ATOM 1132 CB THR A 70 6.820 8.628 -4.615 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.268 8.269 -5.888 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.165 7.948 -4.455 1.00 0.00 C ATOM 0 H THR A 70 5.757 6.376 -4.534 1.00 0.00 H new ATOM 0 HA THR A 70 6.324 8.368 -2.531 1.00 0.00 H new ATOM 0 HB THR A 70 6.952 9.708 -4.553 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.877 8.555 -6.601 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.834 8.273 -5.251 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.594 8.214 -3.489 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.035 6.867 -4.509 1.00 0.00 H new ATOM 1142 N ASP A 71 3.463 8.307 -3.854 1.00 0.00 N ATOM 1143 CA ASP A 71 2.170 8.973 -3.926 1.00 0.00 C ATOM 1144 C ASP A 71 1.470 8.914 -2.581 1.00 0.00 C ATOM 1145 O ASP A 71 1.794 8.076 -1.740 1.00 0.00 O ATOM 1146 CB ASP A 71 1.293 8.362 -5.025 1.00 0.00 C ATOM 1147 CG ASP A 71 1.016 9.346 -6.145 1.00 0.00 C ATOM 1148 OD1 ASP A 71 1.862 9.463 -7.070 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -0.031 10.012 -6.106 1.00 0.00 O ATOM 0 H ASP A 71 3.434 7.302 -4.024 1.00 0.00 H new ATOM 0 HA ASP A 71 2.340 10.019 -4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.785 7.479 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.349 8.030 -4.593 1.00 0.00 H new ATOM 1154 N THR A 72 0.531 9.810 -2.363 1.00 0.00 N ATOM 1155 CA THR A 72 -0.193 9.871 -1.104 1.00 0.00 C ATOM 1156 C THR A 72 -1.683 9.622 -1.330 1.00 0.00 C ATOM 1157 O THR A 72 -2.212 9.937 -2.395 1.00 0.00 O ATOM 1158 CB THR A 72 -0.001 11.248 -0.431 1.00 0.00 C ATOM 1159 OG1 THR A 72 -0.233 12.288 -1.390 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.404 11.385 0.137 1.00 0.00 C ATOM 0 H THR A 72 0.247 10.513 -3.045 1.00 0.00 H new ATOM 0 HA THR A 72 0.206 9.095 -0.450 1.00 0.00 H new ATOM 0 HB THR A 72 -0.715 11.333 0.388 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.137 12.647 -1.271 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.513 12.363 0.605 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.574 10.606 0.880 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.133 11.284 -0.667 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.394 9.070 -0.324 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.831 8.771 -0.444 1.00 0.00 C ATOM 1170 C PRO A 73 -4.680 10.034 -0.655 1.00 0.00 C ATOM 1171 O PRO A 73 -5.858 9.963 -1.014 1.00 0.00 O ATOM 1172 CB PRO A 73 -4.179 8.103 0.895 1.00 0.00 C ATOM 1173 CG PRO A 73 -3.099 8.523 1.832 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.861 8.686 1.001 1.00 0.00 C ATOM 0 HA PRO A 73 -4.040 8.144 -1.311 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.158 8.423 1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.215 7.018 0.796 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.358 9.457 2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.948 7.776 2.612 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.201 9.452 1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.284 7.762 0.951 1.00 0.00 H new ATOM 1182 N ALA A 74 -4.089 11.190 -0.423 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.784 12.450 -0.609 1.00 0.00 C ATOM 1184 C ALA A 74 -4.483 13.039 -1.972 1.00 0.00 C ATOM 1185 O ALA A 74 -5.244 13.842 -2.496 1.00 0.00 O ATOM 1186 CB ALA A 74 -4.402 13.428 0.477 1.00 0.00 C ATOM 0 H ALA A 74 -3.125 11.283 -0.104 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.855 12.257 -0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.932 14.368 0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.671 13.015 1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.327 13.608 0.443 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.378 12.614 -2.562 1.00 0.00 N ATOM 1193 CA GLN A 75 -2.938 13.139 -3.844 1.00 0.00 C ATOM 1194 C GLN A 75 -3.917 12.762 -4.950 1.00 0.00 C ATOM 1195 O GLN A 75 -4.134 13.521 -5.890 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.539 12.633 -4.154 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.804 13.445 -5.201 1.00 0.00 C ATOM 1198 CD GLN A 75 0.679 13.123 -5.249 1.00 0.00 C ATOM 1199 OE1 GLN A 75 1.256 12.778 -4.107 1.00 0.00 O flip ATOM 1200 NE2 GLN A 75 1.305 13.202 -6.303 1.00 0.00 N flip ATOM 0 H GLN A 75 -2.764 11.900 -2.169 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.910 14.227 -3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.953 12.631 -3.235 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.605 11.599 -4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.246 13.256 -6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.936 14.507 -4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.825 13.471 -7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.304 12.999 -6.319 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.516 11.592 -4.831 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.516 11.147 -5.791 1.00 0.00 C ATOM 1211 C LEU A 76 -6.915 11.246 -5.190 1.00 0.00 C ATOM 1212 O LEU A 76 -7.915 10.962 -5.847 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.228 9.713 -6.340 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.606 8.666 -5.379 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.125 8.937 -5.150 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.346 8.620 -4.055 1.00 0.00 C ATOM 0 H LEU A 76 -4.329 10.929 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.460 11.816 -6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.168 9.305 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.562 9.813 -7.197 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.705 7.691 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.718 8.186 -4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.595 8.892 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.000 9.927 -4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.884 7.876 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.298 9.599 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.388 8.352 -4.230 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.965 11.673 -3.923 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.215 11.880 -3.186 1.00 0.00 C ATOM 1230 C GLU A 77 -9.083 10.619 -3.142 1.00 0.00 C ATOM 1231 O GLU A 77 -10.230 10.616 -3.603 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.996 13.052 -3.785 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.188 14.334 -3.869 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.896 15.418 -4.635 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.242 15.185 -5.808 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.111 16.514 -4.074 1.00 0.00 O ATOM 0 H GLU A 77 -6.131 11.886 -3.376 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.948 12.117 -2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.336 12.780 -4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.887 13.231 -3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.972 14.689 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.230 14.124 -4.345 1.00 0.00 H new ATOM 1243 N MET A 78 -8.534 9.538 -2.600 1.00 0.00 N ATOM 1244 CA MET A 78 -9.286 8.293 -2.463 1.00 0.00 C ATOM 1245 C MET A 78 -10.253 8.369 -1.287 1.00 0.00 C ATOM 1246 O MET A 78 -10.229 9.325 -0.502 1.00 0.00 O ATOM 1247 CB MET A 78 -8.349 7.087 -2.304 1.00 0.00 C ATOM 1248 CG MET A 78 -7.306 7.246 -1.214 1.00 0.00 C ATOM 1249 SD MET A 78 -6.368 5.735 -0.907 1.00 0.00 S ATOM 1250 CE MET A 78 -5.844 5.284 -2.561 1.00 0.00 C ATOM 0 H MET A 78 -7.577 9.496 -2.250 1.00 0.00 H new ATOM 0 HA MET A 78 -9.861 8.156 -3.379 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.948 6.202 -2.091 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.842 6.908 -3.252 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.617 8.044 -1.492 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.797 7.556 -0.292 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.377 4.388 -2.880 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.064 6.101 -3.248 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.772 5.088 -2.562 1.00 0.00 H new ATOM 1260 N GLU A 79 -11.096 7.368 -1.159 1.00 0.00 N ATOM 1261 CA GLU A 79 -12.096 7.336 -0.109 1.00 0.00 C ATOM 1262 C GLU A 79 -11.550 6.606 1.116 1.00 0.00 C ATOM 1263 O GLU A 79 -10.616 5.809 1.009 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.345 6.625 -0.623 1.00 0.00 C ATOM 1265 CG GLU A 79 -14.591 6.906 0.184 1.00 0.00 C ATOM 1266 CD GLU A 79 -14.970 8.359 0.139 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -15.693 8.757 -0.794 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -14.544 9.112 1.030 1.00 0.00 O ATOM 0 H GLU A 79 -11.110 6.556 -1.776 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.349 8.357 0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.520 6.923 -1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.162 5.550 -0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.415 6.304 -0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.429 6.605 1.219 1.00 0.00 H new ATOM 1275 N ASP A 80 -12.106 6.887 2.288 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.676 6.200 3.500 1.00 0.00 C ATOM 1277 C ASP A 80 -12.152 4.762 3.502 1.00 0.00 C ATOM 1278 O ASP A 80 -13.252 4.451 3.035 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.145 6.918 4.780 1.00 0.00 C ATOM 1280 CG ASP A 80 -13.653 7.033 4.894 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -14.213 8.038 4.408 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -14.286 6.133 5.488 1.00 0.00 O ATOM 0 H ASP A 80 -12.846 7.576 2.425 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.586 6.214 3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.763 6.381 5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.710 7.917 4.806 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.292 3.884 3.997 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.553 2.452 4.101 1.00 0.00 C ATOM 1289 C GLU A 81 -11.598 1.803 2.724 1.00 0.00 C ATOM 1290 O GLU A 81 -12.124 0.701 2.553 1.00 0.00 O ATOM 1291 CB GLU A 81 -12.834 2.165 4.894 1.00 0.00 C ATOM 1292 CG GLU A 81 -12.819 2.740 6.301 1.00 0.00 C ATOM 1293 CD GLU A 81 -13.986 2.270 7.138 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -15.051 2.914 7.086 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -13.843 1.259 7.860 1.00 0.00 O ATOM 0 H GLU A 81 -10.372 4.152 4.346 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.725 2.008 4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.687 2.574 4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.981 1.087 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.888 2.459 6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.834 3.828 6.244 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.031 2.489 1.733 1.00 0.00 N ATOM 1303 CA ASP A 82 -10.981 1.978 0.370 1.00 0.00 C ATOM 1304 C ASP A 82 -10.014 0.806 0.276 1.00 0.00 C ATOM 1305 O ASP A 82 -9.339 0.465 1.246 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.558 3.072 -0.598 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.310 2.989 -1.907 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.159 1.972 -2.621 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -12.067 3.925 -2.223 1.00 0.00 O ATOM 0 H ASP A 82 -10.598 3.405 1.853 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.980 1.637 0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.730 4.047 -0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.488 2.994 -0.789 1.00 0.00 H new ATOM 1314 N THR A 83 -9.929 0.186 -0.881 1.00 0.00 N ATOM 1315 CA THR A 83 -9.085 -0.981 -1.042 1.00 0.00 C ATOM 1316 C THR A 83 -8.205 -0.884 -2.299 1.00 0.00 C ATOM 1317 O THR A 83 -8.578 -0.269 -3.299 1.00 0.00 O ATOM 1318 CB THR A 83 -9.938 -2.260 -1.121 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.155 -2.073 -0.379 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.182 -3.439 -0.531 1.00 0.00 C ATOM 0 H THR A 83 -10.432 0.468 -1.722 1.00 0.00 H new ATOM 0 HA THR A 83 -8.435 -1.024 -0.168 1.00 0.00 H new ATOM 0 HB THR A 83 -10.163 -2.463 -2.168 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.698 -2.887 -0.431 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.799 -4.335 -0.595 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.258 -3.594 -1.088 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.946 -3.234 0.513 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.041 -1.514 -2.238 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.083 -1.536 -3.336 1.00 0.00 C ATOM 1330 C ILE A 84 -5.802 -2.991 -3.709 1.00 0.00 C ATOM 1331 O ILE A 84 -5.806 -3.861 -2.841 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.739 -0.826 -2.940 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.928 0.686 -2.777 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.637 -1.106 -3.947 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.589 1.089 -1.486 1.00 0.00 C ATOM 0 H ILE A 84 -6.731 -2.031 -1.415 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.508 -0.997 -4.183 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.438 -1.242 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.954 1.172 -2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.525 1.058 -3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.724 -0.598 -3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.455 -2.179 -3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.940 -0.742 -4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.685 2.174 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.578 0.635 -1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.983 0.750 -0.646 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.578 -3.266 -4.987 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.320 -4.633 -5.440 1.00 0.00 C ATOM 1349 C ASP A 85 -3.843 -4.914 -5.460 1.00 0.00 C ATOM 1350 O ASP A 85 -3.043 -4.085 -5.912 1.00 0.00 O ATOM 1351 CB ASP A 85 -5.873 -4.844 -6.834 1.00 0.00 C ATOM 1352 CG ASP A 85 -5.776 -6.283 -7.315 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -5.992 -7.208 -6.509 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -5.500 -6.484 -8.519 1.00 0.00 O ATOM 0 H ASP A 85 -5.569 -2.566 -5.729 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.812 -5.312 -4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.918 -4.533 -6.853 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.336 -4.200 -7.530 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.471 -6.064 -4.971 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.096 -6.475 -4.962 1.00 0.00 C ATOM 1361 C VAL A 86 -1.907 -7.755 -5.732 1.00 0.00 C ATOM 1362 O VAL A 86 -2.673 -8.712 -5.599 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.546 -6.628 -3.523 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.376 -7.605 -3.470 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.104 -5.286 -3.008 1.00 0.00 C ATOM 0 H VAL A 86 -4.115 -6.744 -4.567 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.527 -5.685 -5.453 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.345 -7.025 -2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.016 -7.687 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.704 -8.584 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.429 -7.243 -4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.717 -5.395 -1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.322 -4.888 -3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.952 -4.602 -3.001 1.00 0.00 H new ATOM 1375 N PHE A 87 -0.883 -7.774 -6.529 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.547 -8.924 -7.325 1.00 0.00 C ATOM 1377 C PHE A 87 0.941 -9.170 -7.249 1.00 0.00 C ATOM 1378 O PHE A 87 1.728 -8.226 -7.161 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.026 -8.755 -8.781 1.00 0.00 C ATOM 1380 CG PHE A 87 -0.800 -7.380 -9.372 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.566 -6.301 -8.954 1.00 0.00 C ATOM 1382 CD2 PHE A 87 0.166 -7.172 -10.345 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.375 -5.049 -9.482 1.00 0.00 C ATOM 1384 CE2 PHE A 87 0.360 -5.912 -10.885 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.412 -4.850 -10.452 1.00 0.00 C ATOM 0 H PHE A 87 -0.248 -6.985 -6.649 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.063 -9.797 -6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.516 -9.490 -9.403 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.091 -8.983 -8.826 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.325 -6.449 -8.200 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.772 -7.999 -10.684 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.977 -4.220 -9.140 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.113 -5.759 -11.643 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.262 -3.866 -10.872 1.00 0.00 H new ATOM 1395 N GLN A 88 1.343 -10.425 -7.269 1.00 0.00 N ATOM 1396 CA GLN A 88 2.748 -10.741 -7.142 1.00 0.00 C ATOM 1397 C GLN A 88 3.311 -11.113 -8.487 1.00 0.00 C ATOM 1398 O GLN A 88 2.963 -12.143 -9.054 1.00 0.00 O ATOM 1399 CB GLN A 88 2.987 -11.888 -6.150 1.00 0.00 C ATOM 1400 CG GLN A 88 2.118 -11.844 -4.900 1.00 0.00 C ATOM 1401 CD GLN A 88 2.797 -12.458 -3.685 1.00 0.00 C ATOM 1402 OE1 GLN A 88 4.081 -12.184 -3.515 1.00 0.00 O flip ATOM 1403 NE2 GLN A 88 2.155 -13.116 -2.871 1.00 0.00 N flip ATOM 0 H GLN A 88 0.726 -11.231 -7.370 1.00 0.00 H new ATOM 0 HA GLN A 88 3.253 -9.854 -6.759 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.814 -12.834 -6.662 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.034 -11.876 -5.848 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.859 -10.808 -4.680 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.184 -12.372 -5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.167 -13.307 -3.036 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.610 -13.471 -2.030 1.00 0.00 H new ATOM 1412 N GLN A 89 4.159 -10.268 -9.018 1.00 0.00 N ATOM 1413 CA GLN A 89 4.790 -10.533 -10.295 1.00 0.00 C ATOM 1414 C GLN A 89 5.955 -11.507 -10.134 1.00 0.00 C ATOM 1415 O GLN A 89 7.132 -11.123 -10.177 1.00 0.00 O ATOM 1416 CB GLN A 89 5.235 -9.225 -10.950 1.00 0.00 C ATOM 1417 CG GLN A 89 4.098 -8.222 -11.108 1.00 0.00 C ATOM 1418 CD GLN A 89 4.536 -6.910 -11.722 1.00 0.00 C ATOM 1419 OE1 GLN A 89 5.679 -6.488 -11.572 1.00 0.00 O ATOM 1420 NE2 GLN A 89 3.620 -6.246 -12.401 1.00 0.00 N ATOM 0 H GLN A 89 4.432 -9.385 -8.586 1.00 0.00 H new ATOM 0 HA GLN A 89 4.061 -11.005 -10.953 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.028 -8.776 -10.351 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.660 -9.442 -11.930 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.318 -8.663 -11.729 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.656 -8.028 -10.131 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.681 -6.632 -12.503 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.851 -5.347 -12.824 1.00 0.00 H new ATOM 1429 N GLN A 90 5.614 -12.772 -9.900 1.00 0.00 N ATOM 1430 CA GLN A 90 6.594 -13.838 -9.732 1.00 0.00 C ATOM 1431 C GLN A 90 7.298 -14.162 -11.051 1.00 0.00 C ATOM 1432 O GLN A 90 7.128 -13.467 -12.052 1.00 0.00 O ATOM 1433 CB GLN A 90 5.933 -15.111 -9.147 1.00 0.00 C ATOM 1434 CG GLN A 90 4.926 -15.815 -10.070 1.00 0.00 C ATOM 1435 CD GLN A 90 3.610 -15.074 -10.207 1.00 0.00 C ATOM 1436 OE1 GLN A 90 3.505 -14.234 -11.218 1.00 0.00 O flip ATOM 1437 NE2 GLN A 90 2.691 -15.274 -9.420 1.00 0.00 N flip ATOM 0 H GLN A 90 4.647 -13.086 -9.822 1.00 0.00 H new ATOM 0 HA GLN A 90 7.345 -13.483 -9.027 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.718 -15.820 -8.886 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.425 -14.843 -8.221 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.372 -15.933 -11.058 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.732 -16.816 -9.686 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.813 -15.932 -8.650 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.805 -14.782 -9.535 1.00 0.00 H new ATOM 1446 N THR A 91 8.085 -15.217 -11.056 1.00 0.00 N ATOM 1447 CA THR A 91 8.827 -15.605 -12.232 1.00 0.00 C ATOM 1448 C THR A 91 8.951 -17.126 -12.306 1.00 0.00 C ATOM 1449 O THR A 91 9.600 -17.753 -11.465 1.00 0.00 O ATOM 1450 CB THR A 91 10.230 -14.962 -12.230 1.00 0.00 C ATOM 1451 OG1 THR A 91 10.101 -13.539 -12.091 1.00 0.00 O ATOM 1452 CG2 THR A 91 10.980 -15.278 -13.518 1.00 0.00 C ATOM 0 H THR A 91 8.227 -15.825 -10.249 1.00 0.00 H new ATOM 0 HA THR A 91 8.283 -15.251 -13.108 1.00 0.00 H new ATOM 0 HB THR A 91 10.795 -15.372 -11.393 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.991 -13.129 -12.088 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.965 -14.812 -13.489 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.092 -16.358 -13.618 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.420 -14.890 -14.369 1.00 0.00 H new ATOM 1460 N GLY A 92 8.301 -17.719 -13.289 1.00 0.00 N ATOM 1461 CA GLY A 92 8.356 -19.152 -13.459 1.00 0.00 C ATOM 1462 C GLY A 92 9.309 -19.549 -14.562 1.00 0.00 C ATOM 1463 O GLY A 92 9.425 -18.853 -15.575 1.00 0.00 O ATOM 0 H GLY A 92 7.731 -17.229 -13.979 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.668 -19.617 -12.524 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.359 -19.530 -13.686 1.00 0.00 H new ATOM 1467 N GLY A 93 10.000 -20.654 -14.379 1.00 0.00 N ATOM 1468 CA GLY A 93 10.935 -21.111 -15.374 1.00 0.00 C ATOM 1469 C GLY A 93 10.724 -22.562 -15.704 1.00 0.00 C ATOM 1470 O GLY A 93 9.925 -22.855 -16.612 1.00 0.00 O ATOM 1471 OXT GLY A 93 11.339 -23.420 -15.052 1.00 0.00 O ATOM 0 H GLY A 93 9.930 -21.248 -13.553 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.827 -20.512 -16.278 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.953 -20.963 -15.013 1.00 0.00 H new TER 1475 GLY A 93