USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 811 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 72 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 92 SER OG : rot -79:sc= 0.123 USER MOD Set 2.1: A 46 SER OG : rot 105:sc= 0.123 USER MOD Set 2.2: A 48 SER OG : rot 180:sc= -0.346 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -113:sc=0.000463 USER MOD Single : A 14 HIS : no HD1:sc= -0.47 X(o=-0.47,f=-0.046) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0658 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -114:sc= 0.95 USER MOD Single : A 51 LYS NZ :NH3+ -142:sc= 1.23 (180deg=0.154) USER MOD Single : A 52 GLN : amide:sc= -0.154 K(o=-0.15,f=-2.2!) USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000917) USER MOD Single : A 59 GLN : amide:sc=-0.00379 X(o=-0.0038,f=-0.41) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot -17:sc= -2.41! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -6.58! C(o=-7.7!,f=-6.6!) USER MOD Single : A 82 THR OG1 : rot -81:sc= -0.967 USER MOD Single : A 86 TYR OH : rot 80:sc= -0.732 USER MOD Single : A 89 GLN : amide:sc= -0.805 K(o=-0.81,f=-4.3!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 162:sc= 0.0253 (180deg=0.00121) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0.00707 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.564 -39.708 15.918 1.00 0.00 N ATOM 2 CA GLY A 1 0.007 -38.374 15.897 1.00 0.00 C ATOM 3 C GLY A 1 -0.828 -37.398 15.092 1.00 0.00 C ATOM 4 O GLY A 1 -0.591 -37.204 13.900 1.00 0.00 O ATOM 0 H1 GLY A 1 0.044 -40.337 16.481 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.513 -39.673 16.342 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.633 -40.072 14.946 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.104 -38.008 16.919 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.012 -38.419 15.478 1.00 0.00 H new ATOM 8 N SER A 2 -1.810 -36.784 15.744 1.00 0.00 N ATOM 9 CA SER A 2 -2.688 -35.828 15.080 1.00 0.00 C ATOM 10 C SER A 2 -1.905 -34.602 14.618 1.00 0.00 C ATOM 11 O SER A 2 -1.472 -33.786 15.432 1.00 0.00 O ATOM 12 CB SER A 2 -3.817 -35.402 16.020 1.00 0.00 C ATOM 13 OG SER A 2 -4.705 -34.505 15.376 1.00 0.00 O ATOM 0 H SER A 2 -2.018 -36.932 16.732 1.00 0.00 H new ATOM 0 HA SER A 2 -3.118 -36.314 14.204 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.365 -36.282 16.357 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.397 -34.928 16.907 1.00 0.00 H new ATOM 0 HG SER A 2 -5.419 -34.249 15.997 1.00 0.00 H new ATOM 19 N SER A 3 -1.728 -34.480 13.307 1.00 0.00 N ATOM 20 CA SER A 3 -0.994 -33.357 12.736 1.00 0.00 C ATOM 21 C SER A 3 -1.685 -32.841 11.477 1.00 0.00 C ATOM 22 O SER A 3 -2.219 -33.617 10.686 1.00 0.00 O ATOM 23 CB SER A 3 0.442 -33.771 12.410 1.00 0.00 C ATOM 24 OG SER A 3 0.476 -34.686 11.328 1.00 0.00 O ATOM 0 H SER A 3 -2.083 -35.145 12.620 1.00 0.00 H new ATOM 0 HA SER A 3 -0.974 -32.555 13.474 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.031 -32.888 12.162 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.901 -34.224 13.288 1.00 0.00 H new ATOM 0 HG SER A 3 1.405 -34.934 11.138 1.00 0.00 H new ATOM 30 N GLY A 4 -1.669 -31.524 11.298 1.00 0.00 N ATOM 31 CA GLY A 4 -2.296 -30.925 10.134 1.00 0.00 C ATOM 32 C GLY A 4 -2.270 -29.410 10.177 1.00 0.00 C ATOM 33 O GLY A 4 -3.251 -28.756 9.822 1.00 0.00 O ATOM 0 H GLY A 4 -1.233 -30.861 11.938 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.787 -31.269 9.234 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.329 -31.266 10.066 1.00 0.00 H new ATOM 37 N SER A 5 -1.146 -28.851 10.613 1.00 0.00 N ATOM 38 CA SER A 5 -0.999 -27.403 10.706 1.00 0.00 C ATOM 39 C SER A 5 -0.265 -26.853 9.486 1.00 0.00 C ATOM 40 O SER A 5 0.938 -27.058 9.327 1.00 0.00 O ATOM 41 CB SER A 5 -0.244 -27.027 11.982 1.00 0.00 C ATOM 42 OG SER A 5 -0.006 -25.631 12.041 1.00 0.00 O ATOM 0 H SER A 5 -0.324 -29.378 10.907 1.00 0.00 H new ATOM 0 HA SER A 5 -1.995 -26.962 10.739 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.819 -27.338 12.854 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.705 -27.563 12.018 1.00 0.00 H new ATOM 0 HG SER A 5 0.476 -25.416 12.866 1.00 0.00 H new ATOM 48 N SER A 6 -1.000 -26.152 8.628 1.00 0.00 N ATOM 49 CA SER A 6 -0.421 -25.575 7.420 1.00 0.00 C ATOM 50 C SER A 6 0.681 -24.580 7.768 1.00 0.00 C ATOM 51 O SER A 6 1.756 -24.592 7.169 1.00 0.00 O ATOM 52 CB SER A 6 -1.505 -24.883 6.591 1.00 0.00 C ATOM 53 OG SER A 6 -1.096 -24.731 5.243 1.00 0.00 O ATOM 0 H SER A 6 -1.997 -25.970 8.747 1.00 0.00 H new ATOM 0 HA SER A 6 0.015 -26.383 6.833 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.426 -25.465 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.727 -23.906 7.020 1.00 0.00 H new ATOM 0 HG SER A 6 -1.806 -24.288 4.734 1.00 0.00 H new ATOM 59 N GLY A 7 0.406 -23.717 8.743 1.00 0.00 N ATOM 60 CA GLY A 7 1.383 -22.727 9.155 1.00 0.00 C ATOM 61 C GLY A 7 0.742 -21.414 9.559 1.00 0.00 C ATOM 62 O GLY A 7 -0.482 -21.291 9.571 1.00 0.00 O ATOM 0 H GLY A 7 -0.476 -23.687 9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.962 -23.118 9.992 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.083 -22.550 8.339 1.00 0.00 H new ATOM 66 N MET A 8 1.572 -20.431 9.893 1.00 0.00 N ATOM 67 CA MET A 8 1.078 -19.120 10.301 1.00 0.00 C ATOM 68 C MET A 8 -0.177 -18.745 9.520 1.00 0.00 C ATOM 69 O MET A 8 -0.331 -19.119 8.357 1.00 0.00 O ATOM 70 CB MET A 8 2.159 -18.057 10.093 1.00 0.00 C ATOM 71 CG MET A 8 3.155 -17.973 11.238 1.00 0.00 C ATOM 72 SD MET A 8 4.567 -19.072 11.013 1.00 0.00 S ATOM 73 CE MET A 8 4.216 -20.329 12.240 1.00 0.00 C ATOM 0 H MET A 8 2.588 -20.517 9.889 1.00 0.00 H new ATOM 0 HA MET A 8 0.825 -19.168 11.360 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.696 -18.273 9.170 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.682 -17.085 9.965 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.510 -16.947 11.331 1.00 0.00 H new ATOM 0 HG3 MET A 8 2.651 -18.222 12.172 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.003 -21.083 12.223 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.173 -19.871 13.228 1.00 0.00 H new ATOM 0 HE3 MET A 8 3.258 -20.799 12.016 1.00 0.00 H new ATOM 83 N SER A 9 -1.072 -18.005 10.166 1.00 0.00 N ATOM 84 CA SER A 9 -2.316 -17.583 9.533 1.00 0.00 C ATOM 85 C SER A 9 -2.041 -16.902 8.196 1.00 0.00 C ATOM 86 O SER A 9 -1.519 -15.787 8.149 1.00 0.00 O ATOM 87 CB SER A 9 -3.085 -16.633 10.453 1.00 0.00 C ATOM 88 OG SER A 9 -3.657 -17.333 11.545 1.00 0.00 O ATOM 0 H SER A 9 -0.959 -17.685 11.128 1.00 0.00 H new ATOM 0 HA SER A 9 -2.922 -18.471 9.352 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.414 -15.859 10.825 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.870 -16.130 9.888 1.00 0.00 H new ATOM 0 HG SER A 9 -4.142 -16.704 12.119 1.00 0.00 H new ATOM 94 N LEU A 10 -2.396 -17.580 7.110 1.00 0.00 N ATOM 95 CA LEU A 10 -2.188 -17.042 5.770 1.00 0.00 C ATOM 96 C LEU A 10 -3.360 -16.161 5.349 1.00 0.00 C ATOM 97 O LEU A 10 -4.467 -16.292 5.872 1.00 0.00 O ATOM 98 CB LEU A 10 -2.004 -18.180 4.765 1.00 0.00 C ATOM 99 CG LEU A 10 -1.653 -17.764 3.336 1.00 0.00 C ATOM 100 CD1 LEU A 10 -0.302 -17.067 3.300 1.00 0.00 C ATOM 101 CD2 LEU A 10 -1.657 -18.973 2.412 1.00 0.00 C ATOM 0 H LEU A 10 -2.829 -18.503 7.131 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.286 -16.431 5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.218 -18.840 5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.923 -18.765 4.736 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.410 -17.062 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.069 -16.778 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.335 -16.178 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.467 -17.745 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.405 -18.658 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.922 -19.699 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.647 -19.429 2.414 1.00 0.00 H new ATOM 113 N SER A 11 -3.109 -15.265 4.400 1.00 0.00 N ATOM 114 CA SER A 11 -4.142 -14.361 3.910 1.00 0.00 C ATOM 115 C SER A 11 -4.599 -14.765 2.511 1.00 0.00 C ATOM 116 O SER A 11 -3.821 -15.305 1.725 1.00 0.00 O ATOM 117 CB SER A 11 -3.625 -12.921 3.894 1.00 0.00 C ATOM 118 OG SER A 11 -4.660 -12.011 3.564 1.00 0.00 O ATOM 0 H SER A 11 -2.199 -15.146 3.955 1.00 0.00 H new ATOM 0 HA SER A 11 -4.995 -14.425 4.585 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.212 -12.669 4.871 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.813 -12.831 3.172 1.00 0.00 H new ATOM 0 HG SER A 11 -4.469 -11.600 2.695 1.00 0.00 H new ATOM 124 N ASP A 12 -5.865 -14.499 2.210 1.00 0.00 N ATOM 125 CA ASP A 12 -6.426 -14.833 0.906 1.00 0.00 C ATOM 126 C ASP A 12 -6.085 -13.761 -0.124 1.00 0.00 C ATOM 127 O ASP A 12 -5.628 -14.067 -1.225 1.00 0.00 O ATOM 128 CB ASP A 12 -7.944 -14.996 1.007 1.00 0.00 C ATOM 129 CG ASP A 12 -8.348 -16.015 2.055 1.00 0.00 C ATOM 130 OD1 ASP A 12 -8.263 -15.693 3.258 1.00 0.00 O ATOM 131 OD2 ASP A 12 -8.748 -17.134 1.671 1.00 0.00 O ATOM 0 H ASP A 12 -6.522 -14.053 2.851 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.987 -15.776 0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.395 -14.033 1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.339 -15.300 0.038 1.00 0.00 H new ATOM 136 N TRP A 13 -6.311 -12.504 0.241 1.00 0.00 N ATOM 137 CA TRP A 13 -6.028 -11.386 -0.652 1.00 0.00 C ATOM 138 C TRP A 13 -4.557 -10.993 -0.583 1.00 0.00 C ATOM 139 O TRP A 13 -4.011 -10.780 0.501 1.00 0.00 O ATOM 140 CB TRP A 13 -6.907 -10.186 -0.294 1.00 0.00 C ATOM 141 CG TRP A 13 -6.692 -9.004 -1.191 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.525 -8.319 -1.377 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.670 -8.369 -2.020 1.00 0.00 C ATOM 144 NE1 TRP A 13 -5.720 -7.295 -2.273 1.00 0.00 N ATOM 145 CE2 TRP A 13 -7.027 -7.305 -2.683 1.00 0.00 C ATOM 146 CE3 TRP A 13 -9.027 -8.596 -2.269 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.696 -6.472 -3.576 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.689 -7.767 -3.155 1.00 0.00 C ATOM 149 CH2 TRP A 13 -9.023 -6.717 -3.800 1.00 0.00 C ATOM 0 H TRP A 13 -6.689 -12.233 1.149 1.00 0.00 H new ATOM 0 HA TRP A 13 -6.253 -11.701 -1.671 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.954 -10.484 -0.343 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.707 -9.892 0.736 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.588 -8.548 -0.892 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.007 -6.635 -2.582 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.548 -9.404 -1.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.185 -5.661 -4.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.738 -7.932 -3.353 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.568 -6.088 -4.488 1.00 0.00 H new ATOM 160 N HIS A 14 -3.919 -10.898 -1.745 1.00 0.00 N ATOM 161 CA HIS A 14 -2.509 -10.529 -1.816 1.00 0.00 C ATOM 162 C HIS A 14 -2.289 -9.415 -2.834 1.00 0.00 C ATOM 163 O HIS A 14 -3.054 -9.274 -3.790 1.00 0.00 O ATOM 164 CB HIS A 14 -1.659 -11.746 -2.182 1.00 0.00 C ATOM 165 CG HIS A 14 -1.609 -12.020 -3.654 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.448 -12.917 -4.282 1.00 0.00 N ATOM 167 CD2 HIS A 14 -0.815 -11.508 -4.623 1.00 0.00 C ATOM 168 CE1 HIS A 14 -2.171 -12.946 -5.573 1.00 0.00 C ATOM 169 NE2 HIS A 14 -1.184 -12.100 -5.806 1.00 0.00 N ATOM 0 H HIS A 14 -4.356 -11.071 -2.650 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.205 -10.165 -0.835 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.644 -11.594 -1.814 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.056 -12.623 -1.671 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.036 -10.771 -4.491 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.667 -13.557 -6.312 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.764 -11.916 -6.717 1.00 0.00 H new ATOM 178 N LEU A 15 -1.242 -8.625 -2.624 1.00 0.00 N ATOM 179 CA LEU A 15 -0.922 -7.523 -3.523 1.00 0.00 C ATOM 180 C LEU A 15 0.587 -7.361 -3.671 1.00 0.00 C ATOM 181 O LEU A 15 1.353 -7.764 -2.796 1.00 0.00 O ATOM 182 CB LEU A 15 -1.538 -6.221 -3.006 1.00 0.00 C ATOM 183 CG LEU A 15 -1.755 -5.121 -4.046 1.00 0.00 C ATOM 184 CD1 LEU A 15 -3.049 -5.356 -4.808 1.00 0.00 C ATOM 185 CD2 LEU A 15 -1.766 -3.753 -3.380 1.00 0.00 C ATOM 0 H LEU A 15 -0.600 -8.728 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.342 -7.753 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.499 -6.454 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.896 -5.827 -2.218 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.929 -5.150 -4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.187 -4.564 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.002 -6.319 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.887 -5.354 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.921 -2.982 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.572 -3.711 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.812 -3.584 -2.880 1.00 0.00 H new ATOM 197 N ALA A 16 1.007 -6.767 -4.783 1.00 0.00 N ATOM 198 CA ALA A 16 2.425 -6.548 -5.043 1.00 0.00 C ATOM 199 C ALA A 16 2.834 -5.122 -4.688 1.00 0.00 C ATOM 200 O ALA A 16 2.049 -4.186 -4.831 1.00 0.00 O ATOM 201 CB ALA A 16 2.745 -6.843 -6.501 1.00 0.00 C ATOM 0 H ALA A 16 0.386 -6.429 -5.518 1.00 0.00 H new ATOM 0 HA ALA A 16 2.995 -7.230 -4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.807 -6.676 -6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.498 -7.881 -6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.160 -6.184 -7.142 1.00 0.00 H new ATOM 207 N VAL A 17 4.070 -4.965 -4.222 1.00 0.00 N ATOM 208 CA VAL A 17 4.584 -3.654 -3.847 1.00 0.00 C ATOM 209 C VAL A 17 5.941 -3.390 -4.490 1.00 0.00 C ATOM 210 O VAL A 17 6.823 -4.249 -4.478 1.00 0.00 O ATOM 211 CB VAL A 17 4.718 -3.520 -2.318 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.231 -2.138 -1.945 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.387 -3.805 -1.640 1.00 0.00 C ATOM 0 H VAL A 17 4.733 -5.730 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 17 3.865 -2.918 -4.208 1.00 0.00 H new ATOM 0 HB VAL A 17 5.443 -4.256 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.319 -2.063 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.208 -1.978 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.534 -1.382 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.500 -3.706 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.639 -3.095 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.066 -4.819 -1.880 1.00 0.00 H new ATOM 223 N LYS A 18 6.101 -2.197 -5.051 1.00 0.00 N ATOM 224 CA LYS A 18 7.351 -1.817 -5.699 1.00 0.00 C ATOM 225 C LYS A 18 7.765 -0.405 -5.298 1.00 0.00 C ATOM 226 O LYS A 18 6.969 0.532 -5.378 1.00 0.00 O ATOM 227 CB LYS A 18 7.209 -1.906 -7.220 1.00 0.00 C ATOM 228 CG LYS A 18 7.293 -3.325 -7.757 1.00 0.00 C ATOM 229 CD LYS A 18 8.725 -3.832 -7.770 1.00 0.00 C ATOM 230 CE LYS A 18 9.596 -3.019 -8.716 1.00 0.00 C ATOM 231 NZ LYS A 18 10.706 -3.832 -9.285 1.00 0.00 N ATOM 0 H LYS A 18 5.380 -1.476 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 18 8.126 -2.510 -5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.253 -1.471 -7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.989 -1.304 -7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.678 -3.984 -7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.885 -3.357 -8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.138 -3.785 -6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.738 -4.880 -8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.982 -2.625 -9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.009 -2.163 -8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.276 -3.242 -9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.307 -4.187 -8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.312 -4.635 -9.815 1.00 0.00 H new ATOM 245 N LEU A 19 9.013 -0.258 -4.869 1.00 0.00 N ATOM 246 CA LEU A 19 9.533 1.041 -4.457 1.00 0.00 C ATOM 247 C LEU A 19 9.921 1.881 -5.669 1.00 0.00 C ATOM 248 O LEU A 19 10.861 1.550 -6.391 1.00 0.00 O ATOM 249 CB LEU A 19 10.744 0.860 -3.539 1.00 0.00 C ATOM 250 CG LEU A 19 11.134 2.075 -2.696 1.00 0.00 C ATOM 251 CD1 LEU A 19 10.436 2.033 -1.345 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.644 2.137 -2.516 1.00 0.00 C ATOM 0 H LEU A 19 9.684 -1.023 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 19 8.747 1.563 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.544 0.026 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.600 0.578 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 19 10.813 2.975 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.725 2.905 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.356 2.037 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.726 1.126 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.903 3.008 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.988 1.233 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.124 2.215 -3.492 1.00 0.00 H new ATOM 264 N ALA A 20 9.192 2.971 -5.885 1.00 0.00 N ATOM 265 CA ALA A 20 9.462 3.861 -7.007 1.00 0.00 C ATOM 266 C ALA A 20 10.869 4.442 -6.921 1.00 0.00 C ATOM 267 O ALA A 20 11.552 4.594 -7.934 1.00 0.00 O ATOM 268 CB ALA A 20 8.430 4.978 -7.055 1.00 0.00 C ATOM 0 H ALA A 20 8.410 3.259 -5.297 1.00 0.00 H new ATOM 0 HA ALA A 20 9.393 3.278 -7.925 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.644 5.635 -7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.435 4.549 -7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.471 5.551 -6.129 1.00 0.00 H new ATOM 274 N ASP A 21 11.297 4.766 -5.705 1.00 0.00 N ATOM 275 CA ASP A 21 12.623 5.330 -5.486 1.00 0.00 C ATOM 276 C ASP A 21 13.709 4.337 -5.889 1.00 0.00 C ATOM 277 O ASP A 21 14.762 4.726 -6.395 1.00 0.00 O ATOM 278 CB ASP A 21 12.797 5.727 -4.019 1.00 0.00 C ATOM 279 CG ASP A 21 14.152 6.348 -3.744 1.00 0.00 C ATOM 280 OD1 ASP A 21 15.171 5.641 -3.893 1.00 0.00 O ATOM 281 OD2 ASP A 21 14.193 7.542 -3.380 1.00 0.00 O ATOM 0 H ASP A 21 10.744 4.647 -4.856 1.00 0.00 H new ATOM 0 HA ASP A 21 12.719 6.220 -6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.014 6.433 -3.741 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.670 4.846 -3.390 1.00 0.00 H new ATOM 286 N GLN A 22 13.446 3.055 -5.660 1.00 0.00 N ATOM 287 CA GLN A 22 14.402 2.007 -5.998 1.00 0.00 C ATOM 288 C GLN A 22 13.763 0.957 -6.900 1.00 0.00 C ATOM 289 O GLN A 22 13.178 -0.022 -6.436 1.00 0.00 O ATOM 290 CB GLN A 22 14.938 1.347 -4.727 1.00 0.00 C ATOM 291 CG GLN A 22 15.739 2.289 -3.843 1.00 0.00 C ATOM 292 CD GLN A 22 16.663 1.554 -2.893 1.00 0.00 C ATOM 293 OE1 GLN A 22 17.649 0.947 -3.312 1.00 0.00 O ATOM 294 NE2 GLN A 22 16.349 1.604 -1.603 1.00 0.00 N ATOM 0 H GLN A 22 12.579 2.717 -5.242 1.00 0.00 H new ATOM 0 HA GLN A 22 15.230 2.466 -6.537 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.101 0.948 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.566 0.501 -5.004 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.327 2.958 -4.471 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.054 2.912 -3.268 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.523 2.119 -1.299 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.934 1.128 -0.917 1.00 0.00 H new ATOM 303 N PRO A 23 13.875 1.163 -8.221 1.00 0.00 N ATOM 304 CA PRO A 23 13.313 0.244 -9.216 1.00 0.00 C ATOM 305 C PRO A 23 14.057 -1.086 -9.261 1.00 0.00 C ATOM 306 O PRO A 23 13.590 -2.051 -9.869 1.00 0.00 O ATOM 307 CB PRO A 23 13.488 1.000 -10.535 1.00 0.00 C ATOM 308 CG PRO A 23 14.635 1.920 -10.295 1.00 0.00 C ATOM 309 CD PRO A 23 14.558 2.308 -8.845 1.00 0.00 C ATOM 0 HA PRO A 23 12.278 -0.017 -8.993 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.694 0.317 -11.359 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.586 1.552 -10.797 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.582 1.429 -10.518 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.572 2.798 -10.938 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.548 2.466 -8.418 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.999 3.234 -8.706 1.00 0.00 H new ATOM 317 N LEU A 24 15.217 -1.133 -8.614 1.00 0.00 N ATOM 318 CA LEU A 24 16.026 -2.346 -8.580 1.00 0.00 C ATOM 319 C LEU A 24 15.697 -3.186 -7.350 1.00 0.00 C ATOM 320 O LEU A 24 15.850 -4.407 -7.361 1.00 0.00 O ATOM 321 CB LEU A 24 17.514 -1.991 -8.586 1.00 0.00 C ATOM 322 CG LEU A 24 17.978 -1.061 -9.707 1.00 0.00 C ATOM 323 CD1 LEU A 24 19.183 -0.248 -9.262 1.00 0.00 C ATOM 324 CD2 LEU A 24 18.304 -1.859 -10.961 1.00 0.00 C ATOM 0 H LEU A 24 15.618 -0.345 -8.106 1.00 0.00 H new ATOM 0 HA LEU A 24 15.795 -2.932 -9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.760 -1.527 -7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.087 -2.916 -8.648 1.00 0.00 H new ATOM 0 HG LEU A 24 17.167 -0.371 -9.940 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.499 0.408 -10.073 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.916 0.353 -8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 24 20.000 -0.921 -9.001 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.633 -1.181 -11.749 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.098 -2.573 -10.742 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.415 -2.396 -11.292 1.00 0.00 H new ATOM 336 N ALA A 25 15.241 -2.523 -6.292 1.00 0.00 N ATOM 337 CA ALA A 25 14.885 -3.209 -5.056 1.00 0.00 C ATOM 338 C ALA A 25 13.924 -4.362 -5.325 1.00 0.00 C ATOM 339 O ALA A 25 13.165 -4.356 -6.294 1.00 0.00 O ATOM 340 CB ALA A 25 14.274 -2.229 -4.066 1.00 0.00 C ATOM 0 H ALA A 25 15.110 -1.512 -6.266 1.00 0.00 H new ATOM 0 HA ALA A 25 15.796 -3.624 -4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.013 -2.755 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.994 -1.442 -3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.377 -1.787 -4.499 1.00 0.00 H new ATOM 346 N PRO A 26 13.955 -5.376 -4.447 1.00 0.00 N ATOM 347 CA PRO A 26 13.092 -6.555 -4.569 1.00 0.00 C ATOM 348 C PRO A 26 11.628 -6.233 -4.294 1.00 0.00 C ATOM 349 O PRO A 26 11.315 -5.290 -3.566 1.00 0.00 O ATOM 350 CB PRO A 26 13.640 -7.507 -3.503 1.00 0.00 C ATOM 351 CG PRO A 26 14.285 -6.618 -2.497 1.00 0.00 C ATOM 352 CD PRO A 26 14.834 -5.449 -3.268 1.00 0.00 C ATOM 0 HA PRO A 26 13.107 -6.968 -5.577 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.843 -8.100 -3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.357 -8.208 -3.929 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.564 -6.288 -1.749 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.079 -7.142 -1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.799 -4.530 -2.683 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.875 -5.607 -3.551 1.00 0.00 H new ATOM 360 N LYS A 27 10.733 -7.020 -4.881 1.00 0.00 N ATOM 361 CA LYS A 27 9.300 -6.821 -4.698 1.00 0.00 C ATOM 362 C LYS A 27 8.860 -7.276 -3.310 1.00 0.00 C ATOM 363 O LYS A 27 9.505 -8.122 -2.690 1.00 0.00 O ATOM 364 CB LYS A 27 8.517 -7.584 -5.768 1.00 0.00 C ATOM 365 CG LYS A 27 7.136 -7.011 -6.036 1.00 0.00 C ATOM 366 CD LYS A 27 6.431 -7.756 -7.157 1.00 0.00 C ATOM 367 CE LYS A 27 5.621 -8.928 -6.624 1.00 0.00 C ATOM 368 NZ LYS A 27 4.855 -9.610 -7.704 1.00 0.00 N ATOM 0 H LYS A 27 10.975 -7.803 -5.488 1.00 0.00 H new ATOM 0 HA LYS A 27 9.092 -5.755 -4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.089 -7.581 -6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.416 -8.624 -5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.536 -7.066 -5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.223 -5.956 -6.297 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.773 -7.072 -7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.168 -8.118 -7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.290 -9.644 -6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.931 -8.574 -5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.316 -10.403 -7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.199 -8.934 -8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.514 -9.970 -8.423 1.00 0.00 H new ATOM 382 N SER A 28 7.758 -6.709 -2.828 1.00 0.00 N ATOM 383 CA SER A 28 7.234 -7.055 -1.512 1.00 0.00 C ATOM 384 C SER A 28 5.736 -7.336 -1.581 1.00 0.00 C ATOM 385 O SER A 28 4.960 -6.508 -2.059 1.00 0.00 O ATOM 386 CB SER A 28 7.507 -5.926 -0.518 1.00 0.00 C ATOM 387 OG SER A 28 8.894 -5.802 -0.255 1.00 0.00 O ATOM 0 H SER A 28 7.211 -6.009 -3.329 1.00 0.00 H new ATOM 0 HA SER A 28 7.741 -7.958 -1.172 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.124 -4.986 -0.916 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.973 -6.119 0.412 1.00 0.00 H new ATOM 0 HG SER A 28 9.042 -5.072 0.382 1.00 0.00 H new ATOM 393 N ILE A 29 5.337 -8.509 -1.101 1.00 0.00 N ATOM 394 CA ILE A 29 3.933 -8.899 -1.107 1.00 0.00 C ATOM 395 C ILE A 29 3.244 -8.494 0.192 1.00 0.00 C ATOM 396 O ILE A 29 3.626 -8.939 1.275 1.00 0.00 O ATOM 397 CB ILE A 29 3.771 -10.417 -1.309 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.642 -10.895 -2.473 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.311 -10.766 -1.555 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.240 -10.309 -3.808 1.00 0.00 C ATOM 0 H ILE A 29 5.967 -9.206 -0.703 1.00 0.00 H new ATOM 0 HA ILE A 29 3.465 -8.378 -1.942 1.00 0.00 H new ATOM 0 HB ILE A 29 4.098 -10.926 -0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.681 -10.636 -2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.591 -11.982 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.213 -11.842 -1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.713 -10.456 -0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.959 -10.250 -2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.900 -10.691 -4.587 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.211 -10.590 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.319 -9.223 -3.767 1.00 0.00 H new ATOM 412 N LEU A 30 2.226 -7.648 0.077 1.00 0.00 N ATOM 413 CA LEU A 30 1.482 -7.184 1.242 1.00 0.00 C ATOM 414 C LEU A 30 0.142 -7.904 1.355 1.00 0.00 C ATOM 415 O LEU A 30 -0.614 -7.982 0.387 1.00 0.00 O ATOM 416 CB LEU A 30 1.257 -5.673 1.159 1.00 0.00 C ATOM 417 CG LEU A 30 0.602 -5.024 2.379 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.644 -4.715 3.443 1.00 0.00 C ATOM 419 CD2 LEU A 30 -0.142 -3.759 1.975 1.00 0.00 C ATOM 0 H LEU A 30 1.897 -7.270 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 30 2.070 -7.409 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.220 -5.191 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.638 -5.465 0.286 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.118 -5.727 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.160 -4.254 4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.132 -5.639 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.388 -4.031 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.602 -3.310 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.558 -3.051 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.916 -4.008 1.249 1.00 0.00 H new ATOM 431 N GLN A 31 -0.146 -8.425 2.543 1.00 0.00 N ATOM 432 CA GLN A 31 -1.396 -9.137 2.782 1.00 0.00 C ATOM 433 C GLN A 31 -2.309 -8.339 3.706 1.00 0.00 C ATOM 434 O GLN A 31 -2.137 -8.348 4.926 1.00 0.00 O ATOM 435 CB GLN A 31 -1.115 -10.514 3.387 1.00 0.00 C ATOM 436 CG GLN A 31 -0.404 -11.463 2.436 1.00 0.00 C ATOM 437 CD GLN A 31 0.370 -12.545 3.162 1.00 0.00 C ATOM 438 OE1 GLN A 31 -0.216 -13.449 3.759 1.00 0.00 O ATOM 439 NE2 GLN A 31 1.694 -12.459 3.115 1.00 0.00 N ATOM 0 H GLN A 31 0.469 -8.368 3.355 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.901 -9.265 1.825 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.509 -10.390 4.284 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.058 -10.964 3.699 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.137 -11.927 1.776 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.279 -10.895 1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.138 -11.693 2.609 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.268 -13.159 3.585 1.00 0.00 H new ATOM 448 N LEU A 32 -3.280 -7.648 3.118 1.00 0.00 N ATOM 449 CA LEU A 32 -4.221 -6.844 3.889 1.00 0.00 C ATOM 450 C LEU A 32 -5.162 -7.731 4.698 1.00 0.00 C ATOM 451 O LEU A 32 -5.438 -8.875 4.338 1.00 0.00 O ATOM 452 CB LEU A 32 -5.030 -5.938 2.959 1.00 0.00 C ATOM 453 CG LEU A 32 -5.759 -6.637 1.810 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.136 -7.103 2.257 1.00 0.00 C ATOM 455 CD2 LEU A 32 -5.873 -5.710 0.609 1.00 0.00 C ATOM 0 H LEU A 32 -3.436 -7.629 2.110 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.649 -6.226 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.766 -5.401 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.358 -5.192 2.536 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.179 -7.512 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.640 -7.598 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.032 -7.802 3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.724 -6.244 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.394 -6.224 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.431 -4.817 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.876 -5.425 0.274 1.00 0.00 H new ATOM 467 N PRO A 33 -5.668 -7.192 5.818 1.00 0.00 N ATOM 468 CA PRO A 33 -6.587 -7.917 6.699 1.00 0.00 C ATOM 469 C PRO A 33 -7.957 -8.125 6.063 1.00 0.00 C ATOM 470 O PRO A 33 -8.283 -7.502 5.053 1.00 0.00 O ATOM 471 CB PRO A 33 -6.699 -7.005 7.923 1.00 0.00 C ATOM 472 CG PRO A 33 -6.388 -5.641 7.409 1.00 0.00 C ATOM 473 CD PRO A 33 -5.381 -5.834 6.308 1.00 0.00 C ATOM 0 HA PRO A 33 -6.225 -8.919 6.929 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.698 -7.046 8.357 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.999 -7.303 8.704 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.287 -5.151 7.035 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.985 -5.008 8.200 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.499 -5.089 5.521 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.359 -5.748 6.678 1.00 0.00 H new ATOM 481 N GLU A 34 -8.755 -9.004 6.661 1.00 0.00 N ATOM 482 CA GLU A 34 -10.091 -9.293 6.151 1.00 0.00 C ATOM 483 C GLU A 34 -11.048 -8.143 6.450 1.00 0.00 C ATOM 484 O GLU A 34 -10.693 -7.188 7.142 1.00 0.00 O ATOM 485 CB GLU A 34 -10.625 -10.589 6.765 1.00 0.00 C ATOM 486 CG GLU A 34 -10.167 -11.842 6.037 1.00 0.00 C ATOM 487 CD GLU A 34 -8.694 -12.133 6.247 1.00 0.00 C ATOM 488 OE1 GLU A 34 -7.858 -11.397 5.684 1.00 0.00 O ATOM 489 OE2 GLU A 34 -8.378 -13.097 6.975 1.00 0.00 O ATOM 0 H GLU A 34 -8.500 -9.528 7.498 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.022 -9.413 5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.306 -10.647 7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.715 -10.558 6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.754 -12.693 6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.363 -11.730 4.971 1.00 0.00 H new ATOM 496 N THR A 35 -12.264 -8.242 5.923 1.00 0.00 N ATOM 497 CA THR A 35 -13.273 -7.210 6.131 1.00 0.00 C ATOM 498 C THR A 35 -14.451 -7.747 6.936 1.00 0.00 C ATOM 499 O THR A 35 -14.899 -8.872 6.721 1.00 0.00 O ATOM 500 CB THR A 35 -13.793 -6.655 4.791 1.00 0.00 C ATOM 501 OG1 THR A 35 -14.220 -7.730 3.947 1.00 0.00 O ATOM 502 CG2 THR A 35 -12.714 -5.847 4.085 1.00 0.00 C ATOM 0 H THR A 35 -12.574 -9.026 5.349 1.00 0.00 H new ATOM 0 HA THR A 35 -12.792 -6.406 6.688 1.00 0.00 H new ATOM 0 HB THR A 35 -14.639 -6.000 4.999 1.00 0.00 H new ATOM 0 HG1 THR A 35 -14.551 -7.368 3.098 1.00 0.00 H new ATOM 0 HG21 THR A 35 -13.104 -5.465 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.412 -5.012 4.717 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.851 -6.484 3.890 1.00 0.00 H new ATOM 510 N GLU A 36 -14.947 -6.934 7.863 1.00 0.00 N ATOM 511 CA GLU A 36 -16.073 -7.329 8.701 1.00 0.00 C ATOM 512 C GLU A 36 -17.310 -7.612 7.852 1.00 0.00 C ATOM 513 O GLU A 36 -18.134 -8.460 8.198 1.00 0.00 O ATOM 514 CB GLU A 36 -16.384 -6.236 9.726 1.00 0.00 C ATOM 515 CG GLU A 36 -16.767 -4.906 9.099 1.00 0.00 C ATOM 516 CD GLU A 36 -16.900 -3.796 10.123 1.00 0.00 C ATOM 517 OE1 GLU A 36 -15.857 -3.289 10.587 1.00 0.00 O ATOM 518 OE2 GLU A 36 -18.047 -3.434 10.461 1.00 0.00 O ATOM 0 H GLU A 36 -14.587 -5.999 8.053 1.00 0.00 H new ATOM 0 HA GLU A 36 -15.797 -8.243 9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -17.197 -6.573 10.369 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.513 -6.090 10.365 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.015 -4.626 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -17.711 -5.018 8.566 1.00 0.00 H new ATOM 525 N LEU A 37 -17.432 -6.897 6.740 1.00 0.00 N ATOM 526 CA LEU A 37 -18.568 -7.069 5.840 1.00 0.00 C ATOM 527 C LEU A 37 -18.672 -8.516 5.367 1.00 0.00 C ATOM 528 O LEU A 37 -19.678 -9.185 5.601 1.00 0.00 O ATOM 529 CB LEU A 37 -18.437 -6.135 4.637 1.00 0.00 C ATOM 530 CG LEU A 37 -19.076 -4.754 4.787 1.00 0.00 C ATOM 531 CD1 LEU A 37 -20.554 -4.883 5.122 1.00 0.00 C ATOM 532 CD2 LEU A 37 -18.354 -3.945 5.855 1.00 0.00 C ATOM 0 H LEU A 37 -16.759 -6.192 6.439 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.476 -6.819 6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -17.377 -6.001 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -18.880 -6.626 3.771 1.00 0.00 H new ATOM 0 HG LEU A 37 -18.984 -4.228 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -20.992 -3.890 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -21.062 -5.423 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.669 -5.429 6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -18.822 -2.965 5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.413 -4.468 6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.308 -3.822 5.573 1.00 0.00 H new ATOM 544 N GLY A 38 -17.625 -8.992 4.701 1.00 0.00 N ATOM 545 CA GLY A 38 -17.618 -10.357 4.207 1.00 0.00 C ATOM 546 C GLY A 38 -16.481 -10.617 3.239 1.00 0.00 C ATOM 547 O GLY A 38 -15.756 -9.697 2.862 1.00 0.00 O ATOM 0 H GLY A 38 -16.781 -8.457 4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -17.539 -11.045 5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.567 -10.566 3.713 1.00 0.00 H new ATOM 551 N GLU A 39 -16.323 -11.875 2.839 1.00 0.00 N ATOM 552 CA GLU A 39 -15.263 -12.254 1.912 1.00 0.00 C ATOM 553 C GLU A 39 -15.497 -11.637 0.536 1.00 0.00 C ATOM 554 O GLU A 39 -14.550 -11.339 -0.192 1.00 0.00 O ATOM 555 CB GLU A 39 -15.179 -13.777 1.792 1.00 0.00 C ATOM 556 CG GLU A 39 -16.314 -14.387 0.988 1.00 0.00 C ATOM 557 CD GLU A 39 -16.508 -15.863 1.279 1.00 0.00 C ATOM 558 OE1 GLU A 39 -15.502 -16.601 1.303 1.00 0.00 O ATOM 559 OE2 GLU A 39 -17.668 -16.279 1.483 1.00 0.00 O ATOM 0 H GLU A 39 -16.915 -12.648 3.142 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.320 -11.875 2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.230 -14.045 1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -15.178 -14.212 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.238 -13.853 1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.114 -14.253 -0.075 1.00 0.00 H new ATOM 566 N TYR A 40 -16.765 -11.448 0.188 1.00 0.00 N ATOM 567 CA TYR A 40 -17.125 -10.869 -1.101 1.00 0.00 C ATOM 568 C TYR A 40 -16.130 -9.788 -1.510 1.00 0.00 C ATOM 569 O TYR A 40 -15.480 -9.175 -0.664 1.00 0.00 O ATOM 570 CB TYR A 40 -18.537 -10.284 -1.044 1.00 0.00 C ATOM 571 CG TYR A 40 -18.601 -8.921 -0.393 1.00 0.00 C ATOM 572 CD1 TYR A 40 -17.762 -8.595 0.666 1.00 0.00 C ATOM 573 CD2 TYR A 40 -19.501 -7.959 -0.834 1.00 0.00 C ATOM 574 CE1 TYR A 40 -17.818 -7.352 1.265 1.00 0.00 C ATOM 575 CE2 TYR A 40 -19.563 -6.713 -0.242 1.00 0.00 C ATOM 576 CZ TYR A 40 -18.720 -6.414 0.807 1.00 0.00 C ATOM 577 OH TYR A 40 -18.779 -5.174 1.401 1.00 0.00 O ATOM 0 H TYR A 40 -17.560 -11.687 0.780 1.00 0.00 H new ATOM 0 HA TYR A 40 -17.098 -11.663 -1.848 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -18.933 -10.213 -2.057 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -19.184 -10.970 -0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -17.054 -9.326 1.027 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -20.164 -8.190 -1.655 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -17.159 -7.115 2.088 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -20.268 -5.977 -0.599 1.00 0.00 H new ATOM 0 HH TYR A 40 -19.466 -4.632 0.959 1.00 0.00 H new ATOM 587 N SER A 41 -16.017 -9.559 -2.815 1.00 0.00 N ATOM 588 CA SER A 41 -15.100 -8.554 -3.338 1.00 0.00 C ATOM 589 C SER A 41 -15.001 -7.362 -2.390 1.00 0.00 C ATOM 590 O SER A 41 -15.962 -6.612 -2.214 1.00 0.00 O ATOM 591 CB SER A 41 -15.559 -8.084 -4.720 1.00 0.00 C ATOM 592 OG SER A 41 -15.091 -8.954 -5.736 1.00 0.00 O ATOM 0 H SER A 41 -16.549 -10.056 -3.529 1.00 0.00 H new ATOM 0 HA SER A 41 -14.113 -9.009 -3.426 1.00 0.00 H new ATOM 0 HB2 SER A 41 -16.648 -8.038 -4.749 1.00 0.00 H new ATOM 0 HB3 SER A 41 -15.193 -7.074 -4.904 1.00 0.00 H new ATOM 0 HG SER A 41 -15.399 -8.633 -6.609 1.00 0.00 H new ATOM 598 N LEU A 42 -13.832 -7.194 -1.782 1.00 0.00 N ATOM 599 CA LEU A 42 -13.605 -6.094 -0.851 1.00 0.00 C ATOM 600 C LEU A 42 -14.351 -4.841 -1.297 1.00 0.00 C ATOM 601 O LEU A 42 -15.315 -4.420 -0.658 1.00 0.00 O ATOM 602 CB LEU A 42 -12.109 -5.796 -0.737 1.00 0.00 C ATOM 603 CG LEU A 42 -11.213 -6.985 -0.387 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.815 -6.511 -0.022 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.819 -7.792 0.752 1.00 0.00 C ATOM 0 H LEU A 42 -13.027 -7.805 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.985 -6.393 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.769 -5.377 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.969 -5.025 0.021 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.138 -7.629 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.192 -7.371 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.380 -5.977 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.870 -5.845 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.168 -8.634 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.924 -7.157 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.799 -8.164 0.453 1.00 0.00 H new ATOM 617 N GLY A 43 -13.900 -4.250 -2.399 1.00 0.00 N ATOM 618 CA GLY A 43 -14.538 -3.052 -2.913 1.00 0.00 C ATOM 619 C GLY A 43 -15.056 -2.152 -1.809 1.00 0.00 C ATOM 620 O GLY A 43 -16.241 -2.181 -1.479 1.00 0.00 O ATOM 0 H GLY A 43 -13.104 -4.579 -2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.825 -2.498 -3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.365 -3.335 -3.565 1.00 0.00 H new ATOM 624 N GLY A 44 -14.165 -1.350 -1.233 1.00 0.00 N ATOM 625 CA GLY A 44 -14.558 -0.450 -0.164 1.00 0.00 C ATOM 626 C GLY A 44 -13.366 0.153 0.553 1.00 0.00 C ATOM 627 O GLY A 44 -13.432 1.281 1.041 1.00 0.00 O ATOM 0 H GLY A 44 -13.178 -1.308 -1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.174 0.350 -0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.175 -0.991 0.554 1.00 0.00 H new ATOM 631 N TYR A 45 -12.274 -0.601 0.619 1.00 0.00 N ATOM 632 CA TYR A 45 -11.064 -0.136 1.286 1.00 0.00 C ATOM 633 C TYR A 45 -10.637 1.228 0.752 1.00 0.00 C ATOM 634 O TYR A 45 -10.643 1.463 -0.456 1.00 0.00 O ATOM 635 CB TYR A 45 -9.932 -1.147 1.097 1.00 0.00 C ATOM 636 CG TYR A 45 -9.895 -2.221 2.161 1.00 0.00 C ATOM 637 CD1 TYR A 45 -9.387 -1.955 3.426 1.00 0.00 C ATOM 638 CD2 TYR A 45 -10.368 -3.501 1.900 1.00 0.00 C ATOM 639 CE1 TYR A 45 -9.350 -2.933 4.401 1.00 0.00 C ATOM 640 CE2 TYR A 45 -10.337 -4.485 2.870 1.00 0.00 C ATOM 641 CZ TYR A 45 -9.827 -4.196 4.118 1.00 0.00 C ATOM 642 OH TYR A 45 -9.793 -5.174 5.086 1.00 0.00 O ATOM 0 H TYR A 45 -12.202 -1.536 0.219 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.281 -0.038 2.350 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.037 -1.619 0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.980 -0.617 1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.015 -0.967 3.651 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.767 -3.731 0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.950 -2.710 5.379 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.710 -5.475 2.652 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.174 -5.883 4.813 1.00 0.00 H new ATOM 652 N SER A 46 -10.267 2.123 1.662 1.00 0.00 N ATOM 653 CA SER A 46 -9.840 3.465 1.284 1.00 0.00 C ATOM 654 C SER A 46 -8.339 3.502 1.014 1.00 0.00 C ATOM 655 O SER A 46 -7.537 3.086 1.850 1.00 0.00 O ATOM 656 CB SER A 46 -10.196 4.465 2.386 1.00 0.00 C ATOM 657 OG SER A 46 -9.831 3.969 3.663 1.00 0.00 O ATOM 0 H SER A 46 -10.254 1.943 2.666 1.00 0.00 H new ATOM 0 HA SER A 46 -10.363 3.742 0.369 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.687 5.411 2.201 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.266 4.669 2.364 1.00 0.00 H new ATOM 0 HG SER A 46 -9.025 4.430 3.975 1.00 0.00 H new ATOM 663 N ILE A 47 -7.969 4.001 -0.160 1.00 0.00 N ATOM 664 CA ILE A 47 -6.565 4.093 -0.542 1.00 0.00 C ATOM 665 C ILE A 47 -5.688 4.421 0.662 1.00 0.00 C ATOM 666 O ILE A 47 -4.573 3.916 0.787 1.00 0.00 O ATOM 667 CB ILE A 47 -6.345 5.162 -1.628 1.00 0.00 C ATOM 668 CG1 ILE A 47 -7.161 4.825 -2.878 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.867 5.276 -1.969 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.670 3.594 -3.607 1.00 0.00 C ATOM 0 H ILE A 47 -8.621 4.348 -0.863 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.283 3.119 -0.940 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.684 6.124 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.203 4.677 -2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.135 5.675 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.729 6.036 -2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.308 5.557 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.503 4.317 -2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.295 3.416 -4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.638 3.746 -3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.723 2.732 -2.942 1.00 0.00 H new ATOM 682 N SER A 48 -6.202 5.270 1.548 1.00 0.00 N ATOM 683 CA SER A 48 -5.465 5.667 2.742 1.00 0.00 C ATOM 684 C SER A 48 -4.920 4.446 3.475 1.00 0.00 C ATOM 685 O SER A 48 -3.726 4.363 3.765 1.00 0.00 O ATOM 686 CB SER A 48 -6.366 6.477 3.676 1.00 0.00 C ATOM 687 OG SER A 48 -7.212 5.628 4.432 1.00 0.00 O ATOM 0 H SER A 48 -7.125 5.695 1.461 1.00 0.00 H new ATOM 0 HA SER A 48 -4.624 6.287 2.431 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.752 7.077 4.348 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.970 7.171 3.092 1.00 0.00 H new ATOM 0 HG SER A 48 -7.777 6.170 5.022 1.00 0.00 H new ATOM 693 N PHE A 49 -5.804 3.499 3.773 1.00 0.00 N ATOM 694 CA PHE A 49 -5.413 2.281 4.474 1.00 0.00 C ATOM 695 C PHE A 49 -4.114 1.718 3.904 1.00 0.00 C ATOM 696 O PHE A 49 -3.105 1.622 4.604 1.00 0.00 O ATOM 697 CB PHE A 49 -6.523 1.233 4.377 1.00 0.00 C ATOM 698 CG PHE A 49 -6.299 0.039 5.260 1.00 0.00 C ATOM 699 CD1 PHE A 49 -5.867 0.199 6.567 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.520 -1.243 4.784 1.00 0.00 C ATOM 701 CE1 PHE A 49 -5.659 -0.898 7.381 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.315 -2.344 5.594 1.00 0.00 C ATOM 703 CZ PHE A 49 -5.885 -2.171 6.895 1.00 0.00 C ATOM 0 H PHE A 49 -6.796 3.552 3.540 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.250 2.531 5.522 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.474 1.697 4.641 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.607 0.899 3.343 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.691 1.192 6.954 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.857 -1.384 3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.320 -0.760 8.397 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.491 -3.338 5.210 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.726 -3.029 7.531 1.00 0.00 H new ATOM 713 N LEU A 50 -4.148 1.347 2.629 1.00 0.00 N ATOM 714 CA LEU A 50 -2.974 0.793 1.962 1.00 0.00 C ATOM 715 C LEU A 50 -1.736 1.638 2.248 1.00 0.00 C ATOM 716 O LEU A 50 -0.738 1.140 2.769 1.00 0.00 O ATOM 717 CB LEU A 50 -3.212 0.710 0.453 1.00 0.00 C ATOM 718 CG LEU A 50 -3.871 -0.574 -0.052 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.271 -0.429 -1.512 1.00 0.00 C ATOM 720 CD2 LEU A 50 -2.938 -1.761 0.132 1.00 0.00 C ATOM 0 H LEU A 50 -4.975 1.419 2.036 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.804 -0.210 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.834 1.555 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.254 0.826 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.772 -0.752 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.738 -1.352 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.977 0.395 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.385 -0.226 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.424 -2.666 -0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.019 -1.592 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.702 -1.878 1.190 1.00 0.00 H new ATOM 732 N LYS A 51 -1.809 2.919 1.904 1.00 0.00 N ATOM 733 CA LYS A 51 -0.696 3.835 2.126 1.00 0.00 C ATOM 734 C LYS A 51 -0.080 3.619 3.505 1.00 0.00 C ATOM 735 O LYS A 51 1.079 3.960 3.736 1.00 0.00 O ATOM 736 CB LYS A 51 -1.167 5.285 1.987 1.00 0.00 C ATOM 737 CG LYS A 51 -1.200 5.778 0.551 1.00 0.00 C ATOM 738 CD LYS A 51 -1.992 7.069 0.423 1.00 0.00 C ATOM 739 CE LYS A 51 -1.973 7.596 -1.003 1.00 0.00 C ATOM 740 NZ LYS A 51 -3.022 8.628 -1.228 1.00 0.00 N ATOM 0 H LYS A 51 -2.627 3.347 1.470 1.00 0.00 H new ATOM 0 HA LYS A 51 0.065 3.633 1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.164 5.377 2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.508 5.930 2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.182 5.938 0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.643 5.013 -0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.022 6.897 0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.577 7.820 1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.993 8.021 -1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.122 6.769 -1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.426 8.511 -2.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.773 8.520 -0.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.601 9.575 -1.146 1.00 0.00 H new ATOM 754 N GLN A 52 -0.864 3.050 4.415 1.00 0.00 N ATOM 755 CA GLN A 52 -0.394 2.789 5.770 1.00 0.00 C ATOM 756 C GLN A 52 0.262 1.415 5.864 1.00 0.00 C ATOM 757 O GLN A 52 1.376 1.281 6.373 1.00 0.00 O ATOM 758 CB GLN A 52 -1.555 2.881 6.762 1.00 0.00 C ATOM 759 CG GLN A 52 -2.336 4.181 6.665 1.00 0.00 C ATOM 760 CD GLN A 52 -2.957 4.590 7.987 1.00 0.00 C ATOM 761 OE1 GLN A 52 -2.759 3.931 9.008 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.712 5.681 7.974 1.00 0.00 N ATOM 0 H GLN A 52 -1.826 2.761 4.239 1.00 0.00 H new ATOM 0 HA GLN A 52 0.350 3.545 6.021 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.234 2.045 6.592 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.166 2.775 7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.673 4.974 6.319 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.121 4.073 5.917 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.849 6.196 7.104 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.156 6.004 8.834 1.00 0.00 H new ATOM 771 N LEU A 53 -0.434 0.398 5.370 1.00 0.00 N ATOM 772 CA LEU A 53 0.080 -0.967 5.397 1.00 0.00 C ATOM 773 C LEU A 53 1.473 -1.036 4.778 1.00 0.00 C ATOM 774 O LEU A 53 2.417 -1.521 5.403 1.00 0.00 O ATOM 775 CB LEU A 53 -0.869 -1.906 4.652 1.00 0.00 C ATOM 776 CG LEU A 53 -2.168 -2.261 5.376 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.265 -1.269 5.021 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.599 -3.680 5.035 1.00 0.00 C ATOM 0 H LEU A 53 -1.357 0.492 4.945 1.00 0.00 H new ATOM 0 HA LEU A 53 0.149 -1.283 6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.123 -1.449 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.335 -2.830 4.432 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.989 -2.205 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.182 -1.538 5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.958 -0.266 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.442 -1.292 3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.525 -3.915 5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.759 -3.763 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.821 -4.380 5.341 1.00 0.00 H new ATOM 790 N ILE A 54 1.593 -0.547 3.548 1.00 0.00 N ATOM 791 CA ILE A 54 2.870 -0.551 2.847 1.00 0.00 C ATOM 792 C ILE A 54 3.930 0.215 3.630 1.00 0.00 C ATOM 793 O ILE A 54 5.010 -0.306 3.907 1.00 0.00 O ATOM 794 CB ILE A 54 2.742 0.064 1.441 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.870 -0.822 0.549 1.00 0.00 C ATOM 796 CG2 ILE A 54 4.118 0.258 0.820 1.00 0.00 C ATOM 797 CD1 ILE A 54 0.399 -0.474 0.606 1.00 0.00 C ATOM 0 H ILE A 54 0.821 -0.143 3.017 1.00 0.00 H new ATOM 0 HA ILE A 54 3.175 -1.593 2.753 1.00 0.00 H new ATOM 0 HB ILE A 54 2.264 1.039 1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.215 -0.738 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.001 -1.863 0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.011 0.693 -0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.709 0.926 1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.621 -0.706 0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.159 -1.142 -0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.038 -0.585 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.256 0.557 0.281 1.00 0.00 H new ATOM 809 N ALA A 55 3.613 1.455 3.987 1.00 0.00 N ATOM 810 CA ALA A 55 4.536 2.293 4.743 1.00 0.00 C ATOM 811 C ALA A 55 4.995 1.592 6.017 1.00 0.00 C ATOM 812 O ALA A 55 6.143 1.734 6.436 1.00 0.00 O ATOM 813 CB ALA A 55 3.886 3.627 5.077 1.00 0.00 C ATOM 0 H ALA A 55 2.723 1.902 3.765 1.00 0.00 H new ATOM 0 HA ALA A 55 5.414 2.475 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.587 4.242 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.614 4.140 4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.991 3.456 5.675 1.00 0.00 H new ATOM 819 N GLY A 56 4.090 0.836 6.630 1.00 0.00 N ATOM 820 CA GLY A 56 4.421 0.125 7.851 1.00 0.00 C ATOM 821 C GLY A 56 5.338 -1.056 7.604 1.00 0.00 C ATOM 822 O GLY A 56 6.097 -1.459 8.486 1.00 0.00 O ATOM 0 H GLY A 56 3.133 0.703 6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.899 0.812 8.550 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.503 -0.224 8.324 1.00 0.00 H new ATOM 826 N LYS A 57 5.267 -1.616 6.401 1.00 0.00 N ATOM 827 CA LYS A 57 6.096 -2.760 6.039 1.00 0.00 C ATOM 828 C LYS A 57 7.436 -2.302 5.472 1.00 0.00 C ATOM 829 O LYS A 57 8.451 -2.984 5.623 1.00 0.00 O ATOM 830 CB LYS A 57 5.371 -3.638 5.017 1.00 0.00 C ATOM 831 CG LYS A 57 4.383 -4.608 5.640 1.00 0.00 C ATOM 832 CD LYS A 57 5.090 -5.799 6.266 1.00 0.00 C ATOM 833 CE LYS A 57 4.114 -6.704 7.002 1.00 0.00 C ATOM 834 NZ LYS A 57 3.714 -6.134 8.318 1.00 0.00 N ATOM 0 H LYS A 57 4.644 -1.296 5.660 1.00 0.00 H new ATOM 0 HA LYS A 57 6.283 -3.342 6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.842 -2.998 4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.109 -4.201 4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.795 -4.092 6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.685 -4.957 4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.601 -6.369 5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.854 -5.447 6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.227 -6.857 6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.570 -7.683 7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.062 -6.788 8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.559 -5.996 8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.241 -5.220 8.171 1.00 0.00 H new ATOM 848 N LEU A 58 7.434 -1.145 4.820 1.00 0.00 N ATOM 849 CA LEU A 58 8.650 -0.595 4.232 1.00 0.00 C ATOM 850 C LEU A 58 9.232 0.505 5.113 1.00 0.00 C ATOM 851 O LEU A 58 9.888 1.424 4.622 1.00 0.00 O ATOM 852 CB LEU A 58 8.361 -0.045 2.834 1.00 0.00 C ATOM 853 CG LEU A 58 7.549 -0.954 1.910 1.00 0.00 C ATOM 854 CD1 LEU A 58 7.391 -0.317 0.538 1.00 0.00 C ATOM 855 CD2 LEU A 58 8.207 -2.321 1.793 1.00 0.00 C ATOM 0 H LEU A 58 6.603 -0.569 4.685 1.00 0.00 H new ATOM 0 HA LEU A 58 9.382 -1.399 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.829 0.900 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.312 0.177 2.349 1.00 0.00 H new ATOM 0 HG LEU A 58 6.557 -1.086 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.811 -0.978 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.875 0.638 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.374 -0.153 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.615 -2.954 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.211 -2.208 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.267 -2.782 2.779 1.00 0.00 H new ATOM 867 N GLN A 59 8.989 0.404 6.416 1.00 0.00 N ATOM 868 CA GLN A 59 9.491 1.390 7.365 1.00 0.00 C ATOM 869 C GLN A 59 10.998 1.572 7.216 1.00 0.00 C ATOM 870 O GLN A 59 11.565 2.549 7.703 1.00 0.00 O ATOM 871 CB GLN A 59 9.156 0.968 8.797 1.00 0.00 C ATOM 872 CG GLN A 59 7.761 1.378 9.241 1.00 0.00 C ATOM 873 CD GLN A 59 7.676 1.634 10.733 1.00 0.00 C ATOM 874 OE1 GLN A 59 8.430 1.058 11.517 1.00 0.00 O ATOM 875 NE2 GLN A 59 6.754 2.502 11.133 1.00 0.00 N ATOM 0 H GLN A 59 8.448 -0.351 6.838 1.00 0.00 H new ATOM 0 HA GLN A 59 9.006 2.342 7.151 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.251 -0.115 8.880 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.888 1.405 9.476 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.463 2.278 8.704 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.053 0.595 8.969 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.150 2.956 10.448 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.650 2.714 12.125 1.00 0.00 H new ATOM 884 N GLU A 60 11.639 0.625 6.539 1.00 0.00 N ATOM 885 CA GLU A 60 13.081 0.681 6.327 1.00 0.00 C ATOM 886 C GLU A 60 13.454 1.863 5.437 1.00 0.00 C ATOM 887 O GLU A 60 14.512 2.470 5.605 1.00 0.00 O ATOM 888 CB GLU A 60 13.578 -0.622 5.698 1.00 0.00 C ATOM 889 CG GLU A 60 12.967 -0.912 4.337 1.00 0.00 C ATOM 890 CD GLU A 60 13.772 -1.921 3.540 1.00 0.00 C ATOM 891 OE1 GLU A 60 14.983 -1.690 3.341 1.00 0.00 O ATOM 892 OE2 GLU A 60 13.189 -2.941 3.116 1.00 0.00 O ATOM 0 H GLU A 60 11.183 -0.190 6.128 1.00 0.00 H new ATOM 0 HA GLU A 60 13.560 0.813 7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.662 -0.577 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.354 -1.449 6.371 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.952 -1.286 4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.892 0.016 3.771 1.00 0.00 H new ATOM 899 N SER A 61 12.578 2.183 4.491 1.00 0.00 N ATOM 900 CA SER A 61 12.816 3.289 3.571 1.00 0.00 C ATOM 901 C SER A 61 11.779 4.391 3.765 1.00 0.00 C ATOM 902 O SER A 61 12.110 5.577 3.775 1.00 0.00 O ATOM 903 CB SER A 61 12.785 2.793 2.124 1.00 0.00 C ATOM 904 OG SER A 61 14.039 2.256 1.742 1.00 0.00 O ATOM 0 H SER A 61 11.697 1.692 4.341 1.00 0.00 H new ATOM 0 HA SER A 61 13.802 3.701 3.785 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.012 2.033 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.521 3.616 1.460 1.00 0.00 H new ATOM 0 HG SER A 61 13.992 1.945 0.814 1.00 0.00 H new ATOM 910 N VAL A 62 10.521 3.990 3.919 1.00 0.00 N ATOM 911 CA VAL A 62 9.434 4.941 4.115 1.00 0.00 C ATOM 912 C VAL A 62 9.423 5.479 5.541 1.00 0.00 C ATOM 913 O VAL A 62 9.284 4.733 6.511 1.00 0.00 O ATOM 914 CB VAL A 62 8.066 4.302 3.809 1.00 0.00 C ATOM 915 CG1 VAL A 62 6.936 5.233 4.221 1.00 0.00 C ATOM 916 CG2 VAL A 62 7.963 3.946 2.333 1.00 0.00 C ATOM 0 H VAL A 62 10.230 3.012 3.912 1.00 0.00 H new ATOM 0 HA VAL A 62 9.606 5.764 3.421 1.00 0.00 H new ATOM 0 HB VAL A 62 7.976 3.383 4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.978 4.764 3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.001 5.433 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.018 6.171 3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.990 3.496 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.074 4.849 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.750 3.238 2.074 1.00 0.00 H new ATOM 926 N PRO A 63 9.573 6.805 5.675 1.00 0.00 N ATOM 927 CA PRO A 63 9.583 7.472 6.980 1.00 0.00 C ATOM 928 C PRO A 63 8.212 7.462 7.648 1.00 0.00 C ATOM 929 O PRO A 63 8.080 7.074 8.809 1.00 0.00 O ATOM 930 CB PRO A 63 10.002 8.905 6.643 1.00 0.00 C ATOM 931 CG PRO A 63 9.589 9.096 5.224 1.00 0.00 C ATOM 932 CD PRO A 63 9.744 7.755 4.563 1.00 0.00 C ATOM 0 HA PRO A 63 10.247 6.974 7.686 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.512 9.625 7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.076 9.042 6.765 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.558 9.445 5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.210 9.846 4.735 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.996 7.602 3.785 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.721 7.650 4.091 1.00 0.00 H new ATOM 940 N ASP A 64 7.196 7.889 6.907 1.00 0.00 N ATOM 941 CA ASP A 64 5.834 7.927 7.427 1.00 0.00 C ATOM 942 C ASP A 64 4.818 7.728 6.306 1.00 0.00 C ATOM 943 O ASP A 64 5.047 8.100 5.155 1.00 0.00 O ATOM 944 CB ASP A 64 5.573 9.256 8.138 1.00 0.00 C ATOM 945 CG ASP A 64 5.912 9.199 9.614 1.00 0.00 C ATOM 946 OD1 ASP A 64 5.838 8.097 10.197 1.00 0.00 O ATOM 947 OD2 ASP A 64 6.250 10.256 10.187 1.00 0.00 O ATOM 0 H ASP A 64 7.289 8.214 5.945 1.00 0.00 H new ATOM 0 HA ASP A 64 5.723 7.113 8.143 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.162 10.041 7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.524 9.528 8.019 1.00 0.00 H new ATOM 952 N PRO A 65 3.670 7.125 6.648 1.00 0.00 N ATOM 953 CA PRO A 65 2.597 6.862 5.684 1.00 0.00 C ATOM 954 C PRO A 65 1.904 8.140 5.225 1.00 0.00 C ATOM 955 O PRO A 65 1.117 8.124 4.279 1.00 0.00 O ATOM 956 CB PRO A 65 1.624 5.978 6.469 1.00 0.00 C ATOM 957 CG PRO A 65 1.867 6.324 7.898 1.00 0.00 C ATOM 958 CD PRO A 65 3.330 6.654 8.001 1.00 0.00 C ATOM 0 HA PRO A 65 2.973 6.400 4.771 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.591 6.176 6.184 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.810 4.921 6.281 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.253 7.171 8.204 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.608 5.490 8.551 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.517 7.421 8.752 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.920 5.782 8.283 1.00 0.00 H new ATOM 966 N GLU A 66 2.201 9.245 5.902 1.00 0.00 N ATOM 967 CA GLU A 66 1.605 10.532 5.562 1.00 0.00 C ATOM 968 C GLU A 66 2.528 11.335 4.650 1.00 0.00 C ATOM 969 O GLU A 66 2.075 12.183 3.881 1.00 0.00 O ATOM 970 CB GLU A 66 1.303 11.330 6.832 1.00 0.00 C ATOM 971 CG GLU A 66 0.465 10.569 7.845 1.00 0.00 C ATOM 972 CD GLU A 66 -0.408 11.481 8.684 1.00 0.00 C ATOM 973 OE1 GLU A 66 0.147 12.332 9.410 1.00 0.00 O ATOM 974 OE2 GLU A 66 -1.647 11.345 8.613 1.00 0.00 O ATOM 0 H GLU A 66 2.850 9.275 6.688 1.00 0.00 H new ATOM 0 HA GLU A 66 0.673 10.343 5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.243 11.624 7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.782 12.248 6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.165 9.849 7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.123 9.999 8.500 1.00 0.00 H new ATOM 981 N LEU A 67 3.825 11.063 4.743 1.00 0.00 N ATOM 982 CA LEU A 67 4.814 11.760 3.928 1.00 0.00 C ATOM 983 C LEU A 67 5.083 11.002 2.632 1.00 0.00 C ATOM 984 O LEU A 67 6.114 11.200 1.988 1.00 0.00 O ATOM 985 CB LEU A 67 6.117 11.936 4.710 1.00 0.00 C ATOM 986 CG LEU A 67 5.974 12.436 6.148 1.00 0.00 C ATOM 987 CD1 LEU A 67 7.329 12.472 6.837 1.00 0.00 C ATOM 988 CD2 LEU A 67 5.325 13.812 6.172 1.00 0.00 C ATOM 0 H LEU A 67 4.216 10.365 5.375 1.00 0.00 H new ATOM 0 HA LEU A 67 4.414 12.742 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.638 10.979 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.753 12.634 4.165 1.00 0.00 H new ATOM 0 HG LEU A 67 5.331 11.744 6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.208 12.830 7.859 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.756 11.469 6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.995 13.142 6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.231 14.152 7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.942 14.515 5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.336 13.756 5.717 1.00 0.00 H new ATOM 1000 N ILE A 68 4.149 10.135 2.255 1.00 0.00 N ATOM 1001 CA ILE A 68 4.285 9.350 1.034 1.00 0.00 C ATOM 1002 C ILE A 68 2.945 9.208 0.320 1.00 0.00 C ATOM 1003 O ILE A 68 1.898 9.556 0.867 1.00 0.00 O ATOM 1004 CB ILE A 68 4.849 7.947 1.327 1.00 0.00 C ATOM 1005 CG1 ILE A 68 3.931 7.196 2.294 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.256 8.050 1.896 1.00 0.00 C ATOM 1007 CD1 ILE A 68 2.851 6.394 1.602 1.00 0.00 C ATOM 0 H ILE A 68 3.291 9.959 2.777 1.00 0.00 H new ATOM 0 HA ILE A 68 4.982 9.886 0.390 1.00 0.00 H new ATOM 0 HB ILE A 68 4.896 7.388 0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.533 6.526 2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.464 7.913 2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.641 7.050 2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.904 8.550 1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.233 8.624 2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.239 5.888 2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.225 7.062 1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.311 5.653 0.948 1.00 0.00 H new ATOM 1019 N ASP A 69 2.985 8.694 -0.904 1.00 0.00 N ATOM 1020 CA ASP A 69 1.774 8.503 -1.693 1.00 0.00 C ATOM 1021 C ASP A 69 1.809 7.167 -2.429 1.00 0.00 C ATOM 1022 O ASP A 69 2.768 6.403 -2.305 1.00 0.00 O ATOM 1023 CB ASP A 69 1.606 9.647 -2.695 1.00 0.00 C ATOM 1024 CG ASP A 69 0.850 10.823 -2.110 1.00 0.00 C ATOM 1025 OD1 ASP A 69 0.013 10.601 -1.210 1.00 0.00 O ATOM 1026 OD2 ASP A 69 1.094 11.965 -2.552 1.00 0.00 O ATOM 0 H ASP A 69 3.843 8.402 -1.372 1.00 0.00 H new ATOM 0 HA ASP A 69 0.923 8.500 -1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.588 9.980 -3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.077 9.281 -3.575 1.00 0.00 H new ATOM 1031 N LEU A 70 0.759 6.891 -3.194 1.00 0.00 N ATOM 1032 CA LEU A 70 0.669 5.646 -3.949 1.00 0.00 C ATOM 1033 C LEU A 70 0.428 5.924 -5.429 1.00 0.00 C ATOM 1034 O LEU A 70 -0.372 6.789 -5.786 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.455 4.769 -3.393 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.292 3.262 -3.595 1.00 0.00 C ATOM 1037 CD1 LEU A 70 1.088 2.809 -3.146 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.376 2.504 -2.842 1.00 0.00 C ATOM 0 H LEU A 70 -0.042 7.512 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 70 1.617 5.118 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.547 4.964 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.393 5.078 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.395 3.044 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.185 1.734 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.849 3.328 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.221 3.040 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.245 1.433 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.305 2.728 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.356 2.807 -3.212 1.00 0.00 H new ATOM 1050 N ILE A 71 1.123 5.182 -6.286 1.00 0.00 N ATOM 1051 CA ILE A 71 0.982 5.347 -7.727 1.00 0.00 C ATOM 1052 C ILE A 71 0.511 4.054 -8.384 1.00 0.00 C ATOM 1053 O ILE A 71 1.051 2.979 -8.121 1.00 0.00 O ATOM 1054 CB ILE A 71 2.307 5.787 -8.376 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.936 6.930 -7.578 1.00 0.00 C ATOM 1056 CG2 ILE A 71 2.076 6.205 -9.821 1.00 0.00 C ATOM 1057 CD1 ILE A 71 2.046 8.148 -7.463 1.00 0.00 C ATOM 0 H ILE A 71 1.789 4.461 -6.007 1.00 0.00 H new ATOM 0 HA ILE A 71 0.235 6.125 -7.884 1.00 0.00 H new ATOM 0 HB ILE A 71 2.996 4.943 -8.369 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.180 6.573 -6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.875 7.219 -8.051 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.022 6.513 -10.266 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.668 5.364 -10.382 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.373 7.037 -9.851 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.556 8.918 -6.885 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.822 8.531 -8.459 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.117 7.874 -6.963 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.497 4.166 -9.242 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.041 3.005 -9.938 1.00 0.00 C ATOM 1071 C TYR A 72 -1.435 3.362 -11.368 1.00 0.00 C ATOM 1072 O TYR A 72 -1.916 4.464 -11.634 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.254 2.456 -9.185 1.00 0.00 C ATOM 1074 CG TYR A 72 -2.786 1.162 -9.757 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -3.749 1.166 -10.759 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -2.326 -0.066 -9.296 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -4.239 -0.015 -11.284 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -2.809 -1.251 -9.817 1.00 0.00 C ATOM 1079 CZ TYR A 72 -3.765 -1.220 -10.810 1.00 0.00 C ATOM 1080 OH TYR A 72 -4.250 -2.398 -11.331 1.00 0.00 O ATOM 0 H TYR A 72 -0.954 5.048 -9.472 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.266 2.239 -9.975 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.982 2.298 -8.141 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.048 3.203 -9.198 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.121 2.108 -11.134 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.578 -0.094 -8.517 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.989 0.006 -12.061 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.440 -2.197 -9.448 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.512 -2.259 -12.265 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.228 2.423 -12.283 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.560 2.637 -13.687 1.00 0.00 C ATOM 1092 C CYS A 73 -0.984 3.957 -14.188 1.00 0.00 C ATOM 1093 O CYS A 73 -1.501 4.555 -15.130 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.077 2.622 -13.881 1.00 0.00 C ATOM 1095 SG CYS A 73 -3.870 4.227 -13.624 1.00 0.00 S ATOM 0 H CYS A 73 -0.832 1.506 -12.078 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.118 1.827 -14.267 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.300 2.276 -14.890 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.513 1.899 -13.192 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.062 5.011 -12.973 1.00 0.00 H new ATOM 1101 N GLY A 74 0.091 4.408 -13.548 1.00 0.00 N ATOM 1102 CA GLY A 74 0.719 5.656 -13.941 1.00 0.00 C ATOM 1103 C GLY A 74 -0.038 6.870 -13.438 1.00 0.00 C ATOM 1104 O GLY A 74 0.024 7.942 -14.040 1.00 0.00 O ATOM 0 H GLY A 74 0.538 3.931 -12.765 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.739 5.683 -13.557 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.787 5.699 -15.028 1.00 0.00 H new ATOM 1108 N ARG A 75 -0.757 6.701 -12.333 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.531 7.790 -11.751 1.00 0.00 C ATOM 1110 C ARG A 75 -1.594 7.663 -10.232 1.00 0.00 C ATOM 1111 O ARG A 75 -1.870 6.588 -9.699 1.00 0.00 O ATOM 1112 CB ARG A 75 -2.947 7.804 -12.331 1.00 0.00 C ATOM 1113 CG ARG A 75 -3.934 6.953 -11.550 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.354 7.135 -12.061 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.395 7.314 -13.510 1.00 0.00 N ATOM 1116 CZ ARG A 75 -6.393 7.915 -14.148 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -7.426 8.394 -13.469 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -6.358 8.039 -15.469 1.00 0.00 N ATOM 0 H ARG A 75 -0.819 5.820 -11.823 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.034 8.728 -11.999 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.309 8.832 -12.359 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.912 7.451 -13.362 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.651 5.903 -11.626 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.889 7.219 -10.494 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.952 6.267 -11.786 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.806 8.000 -11.576 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.615 6.958 -14.062 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.456 8.302 -12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.191 8.855 -13.962 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.564 7.673 -15.995 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.125 8.501 -15.958 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.334 8.766 -9.539 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.362 8.780 -8.082 1.00 0.00 C ATOM 1134 C LYS A 76 -2.785 8.604 -7.562 1.00 0.00 C ATOM 1135 O LYS A 76 -3.700 9.317 -7.975 1.00 0.00 O ATOM 1136 CB LYS A 76 -0.772 10.089 -7.552 1.00 0.00 C ATOM 1137 CG LYS A 76 -0.513 10.078 -6.055 1.00 0.00 C ATOM 1138 CD LYS A 76 -1.724 10.564 -5.276 1.00 0.00 C ATOM 1139 CE LYS A 76 -1.970 12.049 -5.497 1.00 0.00 C ATOM 1140 NZ LYS A 76 -2.761 12.651 -4.389 1.00 0.00 N ATOM 0 H LYS A 76 -1.101 9.663 -9.964 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.758 7.946 -7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.164 10.293 -8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.453 10.907 -7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.256 9.068 -5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.345 10.711 -5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.605 9.999 -5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.575 10.373 -4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.015 12.566 -5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.498 12.193 -6.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.907 13.663 -4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.683 12.175 -4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.246 12.536 -3.493 1.00 0.00 H new ATOM 1154 N LEU A 77 -2.965 7.651 -6.654 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.277 7.382 -6.077 1.00 0.00 C ATOM 1156 C LEU A 77 -4.461 8.142 -4.767 1.00 0.00 C ATOM 1157 O LEU A 77 -3.771 7.879 -3.782 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.454 5.882 -5.839 1.00 0.00 C ATOM 1159 CG LEU A 77 -3.861 4.959 -6.904 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -3.862 3.517 -6.421 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.632 5.087 -8.210 1.00 0.00 C ATOM 0 H LEU A 77 -2.219 7.052 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.034 7.723 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.004 5.631 -4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.520 5.671 -5.757 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.829 5.259 -7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.436 2.875 -7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.265 3.437 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.885 3.204 -6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.196 4.423 -8.956 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.674 4.814 -8.046 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.579 6.116 -8.565 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.399 9.083 -4.762 1.00 0.00 N ATOM 1174 CA LYS A 78 -5.678 9.879 -3.572 1.00 0.00 C ATOM 1175 C LYS A 78 -6.214 9.003 -2.445 1.00 0.00 C ATOM 1176 O LYS A 78 -6.415 7.801 -2.621 1.00 0.00 O ATOM 1177 CB LYS A 78 -6.686 10.983 -3.897 1.00 0.00 C ATOM 1178 CG LYS A 78 -7.968 10.470 -4.531 1.00 0.00 C ATOM 1179 CD LYS A 78 -8.688 11.565 -5.299 1.00 0.00 C ATOM 1180 CE LYS A 78 -10.153 11.221 -5.519 1.00 0.00 C ATOM 1181 NZ LYS A 78 -10.978 12.437 -5.762 1.00 0.00 N ATOM 0 H LYS A 78 -5.979 9.313 -5.569 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.744 10.334 -3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.933 11.519 -2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.220 11.702 -4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.737 9.644 -5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.625 10.075 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.612 12.505 -4.752 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.200 11.716 -6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.244 10.545 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.536 10.690 -4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.970 12.160 -5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.912 13.071 -4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.629 12.930 -6.608 1.00 0.00 H new ATOM 1195 N ASP A 79 -6.445 9.612 -1.287 1.00 0.00 N ATOM 1196 CA ASP A 79 -6.961 8.887 -0.131 1.00 0.00 C ATOM 1197 C ASP A 79 -8.481 8.992 -0.058 1.00 0.00 C ATOM 1198 O ASP A 79 -9.093 8.597 0.935 1.00 0.00 O ATOM 1199 CB ASP A 79 -6.337 9.428 1.156 1.00 0.00 C ATOM 1200 CG ASP A 79 -6.998 10.709 1.626 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -7.293 11.572 0.773 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -7.220 10.848 2.847 1.00 0.00 O ATOM 0 H ASP A 79 -6.283 10.606 -1.124 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.693 7.836 -0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.415 8.674 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.275 9.609 0.993 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.083 9.528 -1.113 1.00 0.00 N ATOM 1208 CA ASP A 80 -10.532 9.685 -1.169 1.00 0.00 C ATOM 1209 C ASP A 80 -11.156 8.647 -2.097 1.00 0.00 C ATOM 1210 O ASP A 80 -12.375 8.603 -2.262 1.00 0.00 O ATOM 1211 CB ASP A 80 -10.896 11.094 -1.641 1.00 0.00 C ATOM 1212 CG ASP A 80 -12.213 11.575 -1.065 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -13.192 10.801 -1.097 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -12.265 12.726 -0.584 1.00 0.00 O ATOM 0 H ASP A 80 -8.590 9.861 -1.942 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.928 9.533 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.104 11.786 -1.355 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.953 11.106 -2.729 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.312 7.816 -2.699 1.00 0.00 N ATOM 1220 CA GLN A 81 -10.782 6.780 -3.612 1.00 0.00 C ATOM 1221 C GLN A 81 -10.782 5.415 -2.932 1.00 0.00 C ATOM 1222 O GLN A 81 -10.286 5.266 -1.814 1.00 0.00 O ATOM 1223 CB GLN A 81 -9.905 6.739 -4.864 1.00 0.00 C ATOM 1224 CG GLN A 81 -9.791 8.080 -5.572 1.00 0.00 C ATOM 1225 CD GLN A 81 -10.935 8.331 -6.534 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -11.999 8.953 -6.040 1.00 0.00 O flip ATOM 1227 NE2 GLN A 81 -10.863 7.970 -7.709 1.00 0.00 N flip ATOM 0 H GLN A 81 -9.300 7.839 -2.572 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.805 7.022 -3.901 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.907 6.398 -4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.312 6.004 -5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.764 8.877 -4.829 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.848 8.120 -6.117 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.026 7.495 -8.046 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.641 8.146 -8.345 1.00 0.00 H new ATOM 1236 N THR A 82 -11.342 4.420 -3.613 1.00 0.00 N ATOM 1237 CA THR A 82 -11.408 3.068 -3.074 1.00 0.00 C ATOM 1238 C THR A 82 -10.889 2.048 -4.082 1.00 0.00 C ATOM 1239 O THR A 82 -10.994 2.248 -5.293 1.00 0.00 O ATOM 1240 CB THR A 82 -12.848 2.691 -2.677 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.763 3.111 -3.694 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.228 3.332 -1.350 1.00 0.00 C ATOM 0 H THR A 82 -11.756 4.526 -4.539 1.00 0.00 H new ATOM 0 HA THR A 82 -10.777 3.051 -2.185 1.00 0.00 H new ATOM 0 HB THR A 82 -12.900 1.608 -2.568 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.959 4.065 -3.584 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.249 3.052 -1.090 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.547 2.987 -0.571 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.160 4.416 -1.437 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.328 0.956 -3.576 1.00 0.00 N ATOM 1251 CA LEU A 83 -9.793 -0.097 -4.432 1.00 0.00 C ATOM 1252 C LEU A 83 -10.670 -0.296 -5.664 1.00 0.00 C ATOM 1253 O LEU A 83 -10.168 -0.483 -6.772 1.00 0.00 O ATOM 1254 CB LEU A 83 -9.682 -1.409 -3.654 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.429 -1.574 -2.793 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.251 -2.019 -3.646 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.105 -0.277 -2.067 1.00 0.00 C ATOM 0 H LEU A 83 -10.232 0.776 -2.577 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.799 0.208 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.556 -1.501 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.721 -2.234 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.623 -2.345 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.368 -2.131 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.484 -2.973 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.056 -1.272 -4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.210 -0.414 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.931 0.514 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.941 -0.001 -1.425 1.00 0.00 H new ATOM 1269 N ASP A 84 -11.982 -0.252 -5.462 1.00 0.00 N ATOM 1270 CA ASP A 84 -12.931 -0.424 -6.557 1.00 0.00 C ATOM 1271 C ASP A 84 -12.973 0.820 -7.440 1.00 0.00 C ATOM 1272 O ASP A 84 -12.872 0.729 -8.663 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.327 -0.723 -6.008 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.287 -1.183 -7.088 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -14.859 -1.952 -7.974 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.466 -0.775 -7.046 1.00 0.00 O ATOM 0 H ASP A 84 -12.413 -0.099 -4.550 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.600 -1.267 -7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.255 -1.492 -5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.725 0.171 -5.529 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.124 1.981 -6.811 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.182 3.243 -7.539 1.00 0.00 C ATOM 1283 C PHE A 85 -12.151 3.269 -8.664 1.00 0.00 C ATOM 1284 O PHE A 85 -12.433 3.733 -9.769 1.00 0.00 O ATOM 1285 CB PHE A 85 -12.945 4.417 -6.587 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.521 5.714 -7.080 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -12.915 6.407 -8.115 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -14.669 6.239 -6.509 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -13.443 7.601 -8.570 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -15.202 7.432 -6.959 1.00 0.00 C ATOM 1291 CZ PHE A 85 -14.588 8.113 -7.992 1.00 0.00 C ATOM 0 H PHE A 85 -13.208 2.074 -5.799 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.175 3.336 -7.978 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.381 4.181 -5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.873 4.540 -6.434 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -12.020 6.010 -8.572 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -15.153 5.709 -5.702 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -12.960 8.133 -9.377 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -16.097 7.831 -6.504 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.003 9.045 -8.347 1.00 0.00 H new ATOM 1301 N TYR A 86 -10.955 2.770 -8.373 1.00 0.00 N ATOM 1302 CA TYR A 86 -9.880 2.738 -9.358 1.00 0.00 C ATOM 1303 C TYR A 86 -9.917 1.444 -10.164 1.00 0.00 C ATOM 1304 O TYR A 86 -9.427 1.387 -11.291 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.523 2.884 -8.667 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.106 4.320 -8.447 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -7.866 5.167 -9.522 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -7.953 4.831 -7.164 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -7.485 6.480 -9.326 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -7.573 6.143 -6.958 1.00 0.00 C ATOM 1311 CZ TYR A 86 -7.339 6.964 -8.042 1.00 0.00 C ATOM 1312 OH TYR A 86 -6.961 8.271 -7.842 1.00 0.00 O ATOM 0 H TYR A 86 -10.705 2.382 -7.463 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.024 3.574 -10.042 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.558 2.373 -7.705 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.764 2.382 -9.267 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.979 4.792 -10.528 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.134 4.191 -6.313 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.302 7.124 -10.173 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.460 6.524 -5.954 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.739 8.857 -7.950 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.503 0.405 -9.577 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.594 -0.876 -10.253 1.00 0.00 C ATOM 1324 C GLY A 87 -9.386 -1.754 -9.998 1.00 0.00 C ATOM 1325 O GLY A 87 -9.032 -2.591 -10.829 1.00 0.00 O ATOM 0 H GLY A 87 -10.917 0.428 -8.645 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.493 -1.395 -9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.699 -0.711 -11.325 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.750 -1.563 -8.847 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.574 -2.344 -8.485 1.00 0.00 C ATOM 1331 C ILE A 88 -7.953 -3.780 -8.139 1.00 0.00 C ATOM 1332 O ILE A 88 -8.861 -4.017 -7.343 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.828 -1.720 -7.291 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.312 -0.326 -7.656 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.680 -2.618 -6.855 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.198 0.606 -6.470 1.00 0.00 C ATOM 0 H ILE A 88 -9.030 -0.874 -8.149 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.916 -2.343 -9.354 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.524 -1.623 -6.458 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.334 -0.422 -8.128 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.980 0.118 -8.394 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.163 -2.163 -6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.072 -3.591 -6.559 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.982 -2.744 -7.683 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.826 1.575 -6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.178 0.732 -6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.507 0.184 -5.741 1.00 0.00 H new ATOM 1348 N GLN A 89 -7.249 -4.734 -8.740 1.00 0.00 N ATOM 1349 CA GLN A 89 -7.512 -6.147 -8.494 1.00 0.00 C ATOM 1350 C GLN A 89 -6.419 -6.760 -7.624 1.00 0.00 C ATOM 1351 O GLN A 89 -5.283 -6.288 -7.588 1.00 0.00 O ATOM 1352 CB GLN A 89 -7.612 -6.907 -9.818 1.00 0.00 C ATOM 1353 CG GLN A 89 -8.900 -6.634 -10.579 1.00 0.00 C ATOM 1354 CD GLN A 89 -10.081 -6.393 -9.661 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -10.333 -7.168 -8.737 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -10.813 -5.313 -9.909 1.00 0.00 N ATOM 0 H GLN A 89 -6.493 -4.554 -9.400 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.461 -6.227 -7.964 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.764 -6.638 -10.447 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.536 -7.976 -9.621 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.761 -5.764 -11.221 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.118 -7.480 -11.231 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.568 -4.698 -10.685 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.620 -5.098 -9.323 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.770 -7.836 -6.905 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.833 -8.537 -6.022 1.00 0.00 C ATOM 1367 C PRO A 90 -4.754 -9.285 -6.797 1.00 0.00 C ATOM 1368 O PRO A 90 -4.906 -10.464 -7.111 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.728 -9.523 -5.266 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.889 -9.750 -6.170 1.00 0.00 C ATOM 1371 CD PRO A 90 -8.107 -8.453 -6.899 1.00 0.00 C ATOM 0 HA PRO A 90 -5.291 -7.848 -5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -6.202 -10.454 -5.056 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.047 -9.114 -4.307 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.686 -10.561 -6.869 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.776 -10.032 -5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.478 -8.618 -7.911 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.838 -7.824 -6.390 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.662 -8.590 -7.103 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.573 -9.205 -7.839 1.00 0.00 C ATOM 1381 C GLY A 91 -1.763 -8.195 -8.627 1.00 0.00 C ATOM 1382 O GLY A 91 -0.672 -8.503 -9.108 1.00 0.00 O ATOM 0 H GLY A 91 -3.513 -7.612 -6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.918 -9.728 -7.143 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.976 -9.954 -8.521 1.00 0.00 H new ATOM 1386 N SER A 92 -2.297 -6.985 -8.762 1.00 0.00 N ATOM 1387 CA SER A 92 -1.618 -5.928 -9.502 1.00 0.00 C ATOM 1388 C SER A 92 -0.402 -5.421 -8.733 1.00 0.00 C ATOM 1389 O SER A 92 -0.057 -5.948 -7.674 1.00 0.00 O ATOM 1390 CB SER A 92 -2.580 -4.771 -9.777 1.00 0.00 C ATOM 1391 OG SER A 92 -3.102 -4.242 -8.570 1.00 0.00 O ATOM 0 H SER A 92 -3.198 -6.713 -8.369 1.00 0.00 H new ATOM 0 HA SER A 92 -1.279 -6.343 -10.451 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.061 -3.986 -10.327 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.398 -5.117 -10.410 1.00 0.00 H new ATOM 0 HG SER A 92 -3.824 -4.819 -8.245 1.00 0.00 H new ATOM 1397 N THR A 93 0.245 -4.393 -9.272 1.00 0.00 N ATOM 1398 CA THR A 93 1.424 -3.814 -8.639 1.00 0.00 C ATOM 1399 C THR A 93 1.269 -2.308 -8.462 1.00 0.00 C ATOM 1400 O THR A 93 0.877 -1.600 -9.390 1.00 0.00 O ATOM 1401 CB THR A 93 2.697 -4.094 -9.460 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.809 -5.496 -9.727 1.00 0.00 O ATOM 1403 CG2 THR A 93 3.935 -3.614 -8.718 1.00 0.00 C ATOM 0 H THR A 93 -0.028 -3.944 -10.146 1.00 0.00 H new ATOM 0 HA THR A 93 1.520 -4.284 -7.661 1.00 0.00 H new ATOM 0 HB THR A 93 2.623 -3.550 -10.402 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.620 -5.666 -10.251 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.822 -3.822 -9.317 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.860 -2.541 -8.541 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.012 -4.134 -7.763 1.00 0.00 H new ATOM 1411 N VAL A 94 1.578 -1.823 -7.263 1.00 0.00 N ATOM 1412 CA VAL A 94 1.475 -0.400 -6.964 1.00 0.00 C ATOM 1413 C VAL A 94 2.822 0.171 -6.537 1.00 0.00 C ATOM 1414 O VAL A 94 3.477 -0.359 -5.638 1.00 0.00 O ATOM 1415 CB VAL A 94 0.441 -0.133 -5.854 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.931 -0.643 -6.269 1.00 0.00 C ATOM 1417 CG2 VAL A 94 0.885 -0.774 -4.548 1.00 0.00 C ATOM 0 H VAL A 94 1.902 -2.395 -6.483 1.00 0.00 H new ATOM 0 HA VAL A 94 1.149 0.093 -7.880 1.00 0.00 H new ATOM 0 HB VAL A 94 0.370 0.943 -5.698 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.649 -0.446 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.249 -0.133 -7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.880 -1.716 -6.454 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.143 -0.576 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.986 -1.850 -4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.845 -0.356 -4.245 1.00 0.00 H new ATOM 1427 N HIS A 95 3.232 1.256 -7.186 1.00 0.00 N ATOM 1428 CA HIS A 95 4.502 1.901 -6.872 1.00 0.00 C ATOM 1429 C HIS A 95 4.316 2.980 -5.810 1.00 0.00 C ATOM 1430 O HIS A 95 3.403 3.801 -5.898 1.00 0.00 O ATOM 1431 CB HIS A 95 5.114 2.511 -8.133 1.00 0.00 C ATOM 1432 CG HIS A 95 5.568 1.492 -9.132 1.00 0.00 C ATOM 1433 ND1 HIS A 95 6.814 0.902 -9.093 1.00 0.00 N ATOM 1434 CD2 HIS A 95 4.934 0.957 -10.202 1.00 0.00 C ATOM 1435 CE1 HIS A 95 6.927 0.049 -10.096 1.00 0.00 C ATOM 1436 NE2 HIS A 95 5.800 0.063 -10.784 1.00 0.00 N ATOM 0 H HIS A 95 2.703 1.707 -7.933 1.00 0.00 H new ATOM 0 HA HIS A 95 5.179 1.142 -6.479 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.380 3.166 -8.603 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.963 3.134 -7.850 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.934 1.190 -10.536 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.794 -0.557 -10.316 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.604 -0.499 -11.613 1.00 0.00 H new ATOM 1445 N VAL A 96 5.187 2.972 -4.805 1.00 0.00 N ATOM 1446 CA VAL A 96 5.118 3.949 -3.726 1.00 0.00 C ATOM 1447 C VAL A 96 6.085 5.103 -3.968 1.00 0.00 C ATOM 1448 O VAL A 96 7.263 4.891 -4.259 1.00 0.00 O ATOM 1449 CB VAL A 96 5.436 3.305 -2.364 1.00 0.00 C ATOM 1450 CG1 VAL A 96 5.742 4.374 -1.326 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.282 2.424 -1.909 1.00 0.00 C ATOM 0 H VAL A 96 5.948 2.299 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 96 4.097 4.331 -3.709 1.00 0.00 H new ATOM 0 HB VAL A 96 6.320 2.678 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.964 3.900 -0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.603 4.959 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.879 5.030 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.524 1.977 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.379 3.028 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.115 1.636 -2.643 1.00 0.00 H new ATOM 1461 N LEU A 97 5.580 6.326 -3.844 1.00 0.00 N ATOM 1462 CA LEU A 97 6.399 7.516 -4.049 1.00 0.00 C ATOM 1463 C LEU A 97 6.356 8.424 -2.824 1.00 0.00 C ATOM 1464 O LEU A 97 5.292 8.906 -2.434 1.00 0.00 O ATOM 1465 CB LEU A 97 5.921 8.282 -5.284 1.00 0.00 C ATOM 1466 CG LEU A 97 6.935 9.236 -5.915 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.400 10.269 -4.901 1.00 0.00 C ATOM 1468 CD2 LEU A 97 8.121 8.462 -6.473 1.00 0.00 C ATOM 0 H LEU A 97 4.608 6.519 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 97 7.429 7.196 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.614 7.559 -6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.034 8.854 -5.011 1.00 0.00 H new ATOM 0 HG LEU A 97 6.448 9.759 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.121 10.939 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.544 10.845 -4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.869 9.764 -4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.832 9.158 -6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.607 7.911 -5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.774 7.762 -7.233 1.00 0.00 H new ATOM 1480 N ARG A 98 7.518 8.655 -2.224 1.00 0.00 N ATOM 1481 CA ARG A 98 7.613 9.507 -1.044 1.00 0.00 C ATOM 1482 C ARG A 98 7.708 10.977 -1.441 1.00 0.00 C ATOM 1483 O ARG A 98 8.347 11.324 -2.434 1.00 0.00 O ATOM 1484 CB ARG A 98 8.829 9.116 -0.202 1.00 0.00 C ATOM 1485 CG ARG A 98 10.145 9.644 -0.751 1.00 0.00 C ATOM 1486 CD ARG A 98 11.243 9.601 0.300 1.00 0.00 C ATOM 1487 NE ARG A 98 12.550 9.932 -0.262 1.00 0.00 N ATOM 1488 CZ ARG A 98 13.341 9.046 -0.856 1.00 0.00 C ATOM 1489 NH1 ARG A 98 12.958 7.781 -0.967 1.00 0.00 N ATOM 1490 NH2 ARG A 98 14.516 9.424 -1.342 1.00 0.00 N ATOM 0 H ARG A 98 8.407 8.264 -2.535 1.00 0.00 H new ATOM 0 HA ARG A 98 6.709 9.366 -0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.693 9.489 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.882 8.029 -0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.444 9.052 -1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.011 10.669 -1.098 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.005 10.300 1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.281 8.607 0.745 1.00 0.00 H new ATOM 0 HE ARG A 98 12.873 10.897 -0.194 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.054 7.487 -0.596 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.567 7.102 -1.424 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.813 10.396 -1.260 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.122 8.742 -1.798 1.00 0.00 H new ATOM 1504 N LYS A 99 7.066 11.838 -0.658 1.00 0.00 N ATOM 1505 CA LYS A 99 7.077 13.272 -0.926 1.00 0.00 C ATOM 1506 C LYS A 99 8.428 13.882 -0.567 1.00 0.00 C ATOM 1507 O LYS A 99 8.895 13.756 0.566 1.00 0.00 O ATOM 1508 CB LYS A 99 5.965 13.967 -0.138 1.00 0.00 C ATOM 1509 CG LYS A 99 4.604 13.312 -0.298 1.00 0.00 C ATOM 1510 CD LYS A 99 3.671 13.680 0.843 1.00 0.00 C ATOM 1511 CE LYS A 99 2.249 13.212 0.572 1.00 0.00 C ATOM 1512 NZ LYS A 99 1.249 14.003 1.341 1.00 0.00 N ATOM 0 H LYS A 99 6.531 11.568 0.168 1.00 0.00 H new ATOM 0 HA LYS A 99 6.904 13.419 -1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.232 13.977 0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.899 15.006 -0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.161 13.619 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.723 12.229 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.032 13.233 1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.679 14.760 0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.036 13.295 -0.494 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.157 12.158 0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.307 13.876 0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.233 13.676 2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.508 15.010 1.314 1.00 0.00 H new ATOM 1526 N SER A 100 9.051 14.543 -1.537 1.00 0.00 N ATOM 1527 CA SER A 100 10.350 15.171 -1.322 1.00 0.00 C ATOM 1528 C SER A 100 10.185 16.602 -0.820 1.00 0.00 C ATOM 1529 O SER A 100 9.974 17.527 -1.606 1.00 0.00 O ATOM 1530 CB SER A 100 11.164 15.163 -2.618 1.00 0.00 C ATOM 1531 OG SER A 100 11.415 13.839 -3.054 1.00 0.00 O ATOM 0 H SER A 100 8.678 14.658 -2.479 1.00 0.00 H new ATOM 0 HA SER A 100 10.883 14.598 -0.563 1.00 0.00 H new ATOM 0 HB2 SER A 100 10.625 15.708 -3.393 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.109 15.683 -2.461 1.00 0.00 H new ATOM 0 HG SER A 100 11.935 13.861 -3.884 1.00 0.00 H new ATOM 1537 N TRP A 101 10.282 16.777 0.492 1.00 0.00 N ATOM 1538 CA TRP A 101 10.144 18.096 1.100 1.00 0.00 C ATOM 1539 C TRP A 101 10.636 18.084 2.544 1.00 0.00 C ATOM 1540 O TRP A 101 10.757 17.025 3.159 1.00 0.00 O ATOM 1541 CB TRP A 101 8.686 18.553 1.049 1.00 0.00 C ATOM 1542 CG TRP A 101 8.420 19.783 1.863 1.00 0.00 C ATOM 1543 CD1 TRP A 101 8.943 21.029 1.661 1.00 0.00 C ATOM 1544 CD2 TRP A 101 7.568 19.885 3.009 1.00 0.00 C ATOM 1545 NE1 TRP A 101 8.468 21.898 2.612 1.00 0.00 N ATOM 1546 CE2 TRP A 101 7.621 21.222 3.450 1.00 0.00 C ATOM 1547 CE3 TRP A 101 6.763 18.978 3.704 1.00 0.00 C ATOM 1548 CZ2 TRP A 101 6.902 21.670 4.555 1.00 0.00 C ATOM 1549 CZ3 TRP A 101 6.050 19.424 4.800 1.00 0.00 C ATOM 1550 CH2 TRP A 101 6.123 20.760 5.216 1.00 0.00 C ATOM 0 H TRP A 101 10.456 16.023 1.156 1.00 0.00 H new ATOM 0 HA TRP A 101 10.757 18.796 0.533 1.00 0.00 H new ATOM 0 HB2 TRP A 101 8.409 18.745 0.012 1.00 0.00 H new ATOM 0 HB3 TRP A 101 8.047 17.745 1.405 1.00 0.00 H new ATOM 0 HD1 TRP A 101 9.629 21.292 0.870 1.00 0.00 H new ATOM 0 HE1 TRP A 101 8.707 22.887 2.683 1.00 0.00 H new ATOM 0 HE3 TRP A 101 6.700 17.947 3.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 6.957 22.699 4.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 5.426 18.731 5.345 1.00 0.00 H new ATOM 0 HH2 TRP A 101 5.553 21.078 6.076 1.00 0.00 H new ATOM 1561 N SER A 102 10.917 19.268 3.078 1.00 0.00 N ATOM 1562 CA SER A 102 11.399 19.392 4.449 1.00 0.00 C ATOM 1563 C SER A 102 10.462 18.681 5.421 1.00 0.00 C ATOM 1564 O SER A 102 9.427 18.147 5.025 1.00 0.00 O ATOM 1565 CB SER A 102 11.528 20.867 4.834 1.00 0.00 C ATOM 1566 OG SER A 102 12.370 21.028 5.963 1.00 0.00 O ATOM 0 H SER A 102 10.819 20.154 2.583 1.00 0.00 H new ATOM 0 HA SER A 102 12.380 18.921 4.508 1.00 0.00 H new ATOM 0 HB2 SER A 102 11.930 21.432 3.993 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.542 21.277 5.051 1.00 0.00 H new ATOM 0 HG SER A 102 12.437 21.979 6.188 1.00 0.00 H new ATOM 1572 N GLY A 103 10.835 18.678 6.697 1.00 0.00 N ATOM 1573 CA GLY A 103 10.019 18.030 7.707 1.00 0.00 C ATOM 1574 C GLY A 103 9.431 19.015 8.698 1.00 0.00 C ATOM 1575 O GLY A 103 10.146 19.644 9.478 1.00 0.00 O ATOM 0 H GLY A 103 11.688 19.113 7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.211 17.483 7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.623 17.298 8.243 1.00 0.00 H new ATOM 1579 N PRO A 104 8.098 19.161 8.674 1.00 0.00 N ATOM 1580 CA PRO A 104 7.386 20.076 9.571 1.00 0.00 C ATOM 1581 C PRO A 104 7.406 19.601 11.020 1.00 0.00 C ATOM 1582 O PRO A 104 7.111 20.366 11.938 1.00 0.00 O ATOM 1583 CB PRO A 104 5.956 20.066 9.025 1.00 0.00 C ATOM 1584 CG PRO A 104 5.824 18.753 8.333 1.00 0.00 C ATOM 1585 CD PRO A 104 7.183 18.443 7.771 1.00 0.00 C ATOM 0 HA PRO A 104 7.843 21.065 9.590 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.225 20.166 9.827 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.789 20.895 8.337 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.502 17.977 9.027 1.00 0.00 H new ATOM 0 HG3 PRO A 104 5.076 18.802 7.541 1.00 0.00 H new ATOM 0 HD2 PRO A 104 7.381 17.371 7.767 1.00 0.00 H new ATOM 0 HD3 PRO A 104 7.281 18.789 6.742 1.00 0.00 H new ATOM 1593 N SER A 105 7.757 18.335 11.218 1.00 0.00 N ATOM 1594 CA SER A 105 7.813 17.757 12.556 1.00 0.00 C ATOM 1595 C SER A 105 8.273 18.794 13.576 1.00 0.00 C ATOM 1596 O SER A 105 9.420 19.240 13.551 1.00 0.00 O ATOM 1597 CB SER A 105 8.757 16.553 12.575 1.00 0.00 C ATOM 1598 OG SER A 105 8.407 15.615 11.572 1.00 0.00 O ATOM 0 H SER A 105 8.007 17.689 10.469 1.00 0.00 H new ATOM 0 HA SER A 105 6.810 17.427 12.825 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.783 16.889 12.422 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.721 16.074 13.554 1.00 0.00 H new ATOM 0 HG SER A 105 9.026 14.856 11.604 1.00 0.00 H new ATOM 1604 N SER A 106 7.368 19.173 14.474 1.00 0.00 N ATOM 1605 CA SER A 106 7.678 20.160 15.501 1.00 0.00 C ATOM 1606 C SER A 106 8.539 19.547 16.601 1.00 0.00 C ATOM 1607 O SER A 106 8.567 18.330 16.777 1.00 0.00 O ATOM 1608 CB SER A 106 6.389 20.724 16.101 1.00 0.00 C ATOM 1609 OG SER A 106 6.641 21.921 16.818 1.00 0.00 O ATOM 0 H SER A 106 6.415 18.811 14.510 1.00 0.00 H new ATOM 0 HA SER A 106 8.238 20.970 15.035 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.668 20.917 15.306 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.940 19.986 16.766 1.00 0.00 H new ATOM 0 HG SER A 106 5.801 22.262 17.190 1.00 0.00 H new ATOM 1615 N GLY A 107 9.241 20.401 17.340 1.00 0.00 N ATOM 1616 CA GLY A 107 10.094 19.926 18.414 1.00 0.00 C ATOM 1617 C GLY A 107 11.538 19.768 17.981 1.00 0.00 C ATOM 1618 O GLY A 107 12.240 20.756 17.766 1.00 0.00 O ATOM 0 H GLY A 107 9.234 21.413 17.214 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.043 20.624 19.250 1.00 0.00 H new ATOM 0 HA3 GLY A 107 9.719 18.968 18.775 1.00 0.00 H new TER 1622 GLY A 107