USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 716 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 8 GLN : amide:sc= -2.58 K(o=-2.9,f=-8.8!) USER MOD Set 1.2: A 85 SER OG : rot 120:sc= -0.299 USER MOD Set 2.1: A 39 SER OG : rot -140:sc= 0.00719 USER MOD Set 2.2: A 78 LYS NZ :NH3+ 150:sc= 0.00356 (180deg=-0.651) USER MOD Set 3.1: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 86 GLN : amide:sc= -5.52! C(o=-5.5!,f=-6.2!) USER MOD Set 4.1: A 67 GLN : amide:sc= -1.52 X(o=-2.3,f=-2.1) USER MOD Set 4.2: A 71 TYR OH : rot 150:sc= -0.76 USER MOD Set 5.1: A 45 THR OG1 : rot -129:sc= 0.463 USER MOD Set 5.2: A 74 THR OG1 : rot -70:sc= 1.49 USER MOD Set 5.3: A 88 SER OG : rot 180:sc= 1.1 USER MOD Set 6.1: A 15 LYS NZ :NH3+ -120:sc= 0.848 (180deg=-1.1) USER MOD Set 6.2: A 24 THR OG1 : rot -60:sc= -0.177 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 11:sc= 0.797 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 14:sc= 0.57 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 44:sc= 0.0475 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 114:sc= 0.644 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 153:sc= -0.143 (180deg=-0.767) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 152:sc= -0.356 (180deg=-0.927) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 57 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.014) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -79:sc= -1.27! USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.019 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 84 GLN : amide:sc= -0.0428 X(o=-0.043,f=-0.34) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0455 K(o=-0.046,f=-0.67) USER MOD Single : A 94 LYS NZ :NH3+ 159:sc= 0.166 (180deg=0.0721) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 26:sc= 0.634 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.321 2.443 16.414 1.00 0.00 N ATOM 2 CA GLY A 1 27.000 3.048 17.693 1.00 0.00 C ATOM 3 C GLY A 1 25.802 2.400 18.357 1.00 0.00 C ATOM 4 O GLY A 1 25.863 2.017 19.525 1.00 0.00 O ATOM 0 H1 GLY A 1 28.147 2.922 16.001 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.538 1.435 16.551 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.509 2.538 15.771 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.863 2.972 18.354 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.801 4.110 17.549 1.00 0.00 H new ATOM 8 N SER A 2 24.708 2.278 17.612 1.00 0.00 N ATOM 9 CA SER A 2 23.488 1.676 18.137 1.00 0.00 C ATOM 10 C SER A 2 22.592 1.186 17.004 1.00 0.00 C ATOM 11 O SER A 2 22.280 1.933 16.077 1.00 0.00 O ATOM 12 CB SER A 2 22.729 2.685 19.002 1.00 0.00 C ATOM 13 OG SER A 2 23.392 2.900 20.236 1.00 0.00 O ATOM 0 H SER A 2 24.642 2.588 16.643 1.00 0.00 H new ATOM 0 HA SER A 2 23.769 0.820 18.750 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.635 3.630 18.467 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.718 2.322 19.187 1.00 0.00 H new ATOM 0 HG SER A 2 24.283 2.494 20.203 1.00 0.00 H new ATOM 19 N SER A 3 22.183 -0.076 17.085 1.00 0.00 N ATOM 20 CA SER A 3 21.326 -0.669 16.065 1.00 0.00 C ATOM 21 C SER A 3 19.861 -0.326 16.319 1.00 0.00 C ATOM 22 O SER A 3 19.476 0.011 17.438 1.00 0.00 O ATOM 23 CB SER A 3 21.508 -2.188 16.037 1.00 0.00 C ATOM 24 OG SER A 3 20.796 -2.807 17.094 1.00 0.00 O ATOM 0 H SER A 3 22.431 -0.708 17.846 1.00 0.00 H new ATOM 0 HA SER A 3 21.615 -0.257 15.098 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.161 -2.581 15.081 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.567 -2.432 16.116 1.00 0.00 H new ATOM 0 HG SER A 3 20.927 -3.777 17.053 1.00 0.00 H new ATOM 30 N GLY A 4 19.049 -0.414 15.270 1.00 0.00 N ATOM 31 CA GLY A 4 17.636 -0.109 15.399 1.00 0.00 C ATOM 32 C GLY A 4 17.156 0.869 14.345 1.00 0.00 C ATOM 33 O GLY A 4 17.267 0.607 13.148 1.00 0.00 O ATOM 0 H GLY A 4 19.344 -0.691 14.334 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.060 -1.031 15.324 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.446 0.306 16.389 1.00 0.00 H new ATOM 37 N SER A 5 16.617 2.000 14.791 1.00 0.00 N ATOM 38 CA SER A 5 16.113 3.018 13.878 1.00 0.00 C ATOM 39 C SER A 5 15.337 2.382 12.729 1.00 0.00 C ATOM 40 O SER A 5 15.521 2.743 11.566 1.00 0.00 O ATOM 41 CB SER A 5 17.268 3.856 13.327 1.00 0.00 C ATOM 42 OG SER A 5 18.160 3.059 12.568 1.00 0.00 O ATOM 0 H SER A 5 16.519 2.234 15.779 1.00 0.00 H new ATOM 0 HA SER A 5 15.436 3.667 14.434 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.874 4.659 12.705 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.806 4.326 14.151 1.00 0.00 H new ATOM 0 HG SER A 5 17.742 2.194 12.375 1.00 0.00 H new ATOM 48 N SER A 6 14.470 1.432 13.063 1.00 0.00 N ATOM 49 CA SER A 6 13.669 0.741 12.059 1.00 0.00 C ATOM 50 C SER A 6 12.623 1.677 11.460 1.00 0.00 C ATOM 51 O SER A 6 11.888 2.348 12.182 1.00 0.00 O ATOM 52 CB SER A 6 12.983 -0.480 12.676 1.00 0.00 C ATOM 53 OG SER A 6 13.862 -1.590 12.720 1.00 0.00 O ATOM 0 H SER A 6 14.304 1.123 14.021 1.00 0.00 H new ATOM 0 HA SER A 6 14.335 0.411 11.262 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.644 -0.240 13.684 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.097 -0.736 12.094 1.00 0.00 H new ATOM 0 HG SER A 6 13.401 -2.357 13.120 1.00 0.00 H new ATOM 59 N GLY A 7 12.565 1.716 10.132 1.00 0.00 N ATOM 60 CA GLY A 7 11.607 2.572 9.457 1.00 0.00 C ATOM 61 C GLY A 7 12.100 3.035 8.100 1.00 0.00 C ATOM 62 O GLY A 7 11.822 4.159 7.683 1.00 0.00 O ATOM 0 H GLY A 7 13.164 1.170 9.512 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.667 2.034 9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.398 3.441 10.081 1.00 0.00 H new ATOM 66 N GLN A 8 12.833 2.166 7.411 1.00 0.00 N ATOM 67 CA GLN A 8 13.367 2.494 6.094 1.00 0.00 C ATOM 68 C GLN A 8 12.459 1.962 4.991 1.00 0.00 C ATOM 69 O GLN A 8 12.853 1.092 4.214 1.00 0.00 O ATOM 70 CB GLN A 8 14.775 1.918 5.934 1.00 0.00 C ATOM 71 CG GLN A 8 15.780 2.483 6.925 1.00 0.00 C ATOM 72 CD GLN A 8 15.700 1.814 8.283 1.00 0.00 C ATOM 73 OE1 GLN A 8 14.882 2.188 9.124 1.00 0.00 O ATOM 74 NE2 GLN A 8 16.551 0.819 8.504 1.00 0.00 N ATOM 0 H GLN A 8 13.070 1.231 7.742 1.00 0.00 H new ATOM 0 HA GLN A 8 13.414 3.580 6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.731 0.835 6.051 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.126 2.115 4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.786 2.363 6.524 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.608 3.553 7.041 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.212 0.542 7.778 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.544 0.331 9.400 1.00 0.00 H new ATOM 83 N ALA A 9 11.241 2.489 4.928 1.00 0.00 N ATOM 84 CA ALA A 9 10.277 2.068 3.918 1.00 0.00 C ATOM 85 C ALA A 9 9.171 3.105 3.749 1.00 0.00 C ATOM 86 O ALA A 9 8.461 3.430 4.700 1.00 0.00 O ATOM 87 CB ALA A 9 9.684 0.716 4.286 1.00 0.00 C ATOM 0 H ALA A 9 10.898 3.208 5.564 1.00 0.00 H new ATOM 0 HA ALA A 9 10.801 1.976 2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.966 0.414 3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.480 -0.026 4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.180 0.790 5.250 1.00 0.00 H new ATOM 93 N ASP A 10 9.032 3.620 2.533 1.00 0.00 N ATOM 94 CA ASP A 10 8.012 4.620 2.238 1.00 0.00 C ATOM 95 C ASP A 10 6.802 3.981 1.565 1.00 0.00 C ATOM 96 O ASP A 10 6.793 3.771 0.352 1.00 0.00 O ATOM 97 CB ASP A 10 8.588 5.719 1.344 1.00 0.00 C ATOM 98 CG ASP A 10 7.559 6.774 0.988 1.00 0.00 C ATOM 99 OD1 ASP A 10 7.083 7.473 1.907 1.00 0.00 O ATOM 100 OD2 ASP A 10 7.231 6.902 -0.210 1.00 0.00 O ATOM 0 H ASP A 10 9.613 3.362 1.735 1.00 0.00 H new ATOM 0 HA ASP A 10 7.689 5.062 3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.429 6.192 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.978 5.272 0.429 1.00 0.00 H new ATOM 105 N ALA A 11 5.783 3.672 2.360 1.00 0.00 N ATOM 106 CA ALA A 11 4.568 3.057 1.841 1.00 0.00 C ATOM 107 C ALA A 11 3.671 4.093 1.171 1.00 0.00 C ATOM 108 O ALA A 11 2.792 3.750 0.381 1.00 0.00 O ATOM 109 CB ALA A 11 3.816 2.348 2.957 1.00 0.00 C ATOM 0 H ALA A 11 5.775 3.838 3.366 1.00 0.00 H new ATOM 0 HA ALA A 11 4.856 2.323 1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.911 1.894 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.450 1.573 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.547 3.068 3.730 1.00 0.00 H new ATOM 115 N GLY A 12 3.899 5.362 1.493 1.00 0.00 N ATOM 116 CA GLY A 12 3.103 6.429 0.914 1.00 0.00 C ATOM 117 C GLY A 12 2.279 7.166 1.952 1.00 0.00 C ATOM 118 O GLY A 12 2.019 6.660 3.043 1.00 0.00 O ATOM 0 H GLY A 12 4.621 5.671 2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.761 7.136 0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.439 6.013 0.156 1.00 0.00 H new ATOM 122 N PRO A 13 1.856 8.393 1.614 1.00 0.00 N ATOM 123 CA PRO A 13 1.052 9.228 2.511 1.00 0.00 C ATOM 124 C PRO A 13 -0.361 8.685 2.698 1.00 0.00 C ATOM 125 O PRO A 13 -0.812 7.828 1.938 1.00 0.00 O ATOM 126 CB PRO A 13 1.014 10.582 1.798 1.00 0.00 C ATOM 127 CG PRO A 13 1.219 10.257 0.358 1.00 0.00 C ATOM 128 CD PRO A 13 2.128 9.059 0.329 1.00 0.00 C ATOM 0 HA PRO A 13 1.475 9.271 3.515 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.062 11.087 1.958 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.794 11.247 2.169 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.270 10.039 -0.132 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.665 11.098 -0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.907 8.407 -0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.175 9.351 0.241 1.00 0.00 H new ATOM 136 N ASP A 14 -1.054 9.189 3.713 1.00 0.00 N ATOM 137 CA ASP A 14 -2.417 8.755 3.999 1.00 0.00 C ATOM 138 C ASP A 14 -3.201 8.544 2.708 1.00 0.00 C ATOM 139 O ASP A 14 -2.944 9.199 1.697 1.00 0.00 O ATOM 140 CB ASP A 14 -3.128 9.783 4.880 1.00 0.00 C ATOM 141 CG ASP A 14 -3.829 10.855 4.069 1.00 0.00 C ATOM 142 OD1 ASP A 14 -3.262 11.289 3.044 1.00 0.00 O ATOM 143 OD2 ASP A 14 -4.943 11.261 4.459 1.00 0.00 O ATOM 0 H ASP A 14 -0.695 9.898 4.352 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.366 7.805 4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.857 9.274 5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.402 10.251 5.545 1.00 0.00 H new ATOM 148 N LYS A 15 -4.160 7.625 2.748 1.00 0.00 N ATOM 149 CA LYS A 15 -4.983 7.326 1.582 1.00 0.00 C ATOM 150 C LYS A 15 -6.458 7.578 1.879 1.00 0.00 C ATOM 151 O LYS A 15 -6.991 7.093 2.877 1.00 0.00 O ATOM 152 CB LYS A 15 -4.780 5.873 1.147 1.00 0.00 C ATOM 153 CG LYS A 15 -3.556 5.665 0.272 1.00 0.00 C ATOM 154 CD LYS A 15 -3.888 5.840 -1.200 1.00 0.00 C ATOM 155 CE LYS A 15 -2.641 5.745 -2.067 1.00 0.00 C ATOM 156 NZ LYS A 15 -2.217 4.333 -2.276 1.00 0.00 N ATOM 0 H LYS A 15 -4.386 7.074 3.576 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.675 7.987 0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.693 5.246 2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.665 5.538 0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.779 6.374 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.153 4.666 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.604 5.077 -1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.367 6.807 -1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.833 6.213 -3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.830 6.302 -1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.255 4.201 -1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.872 3.697 -1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.227 4.114 -3.293 1.00 0.00 H new ATOM 170 N GLU A 16 -7.112 8.336 1.005 1.00 0.00 N ATOM 171 CA GLU A 16 -8.526 8.651 1.175 1.00 0.00 C ATOM 172 C GLU A 16 -9.293 8.424 -0.125 1.00 0.00 C ATOM 173 O GLU A 16 -9.127 9.165 -1.095 1.00 0.00 O ATOM 174 CB GLU A 16 -8.698 10.100 1.636 1.00 0.00 C ATOM 175 CG GLU A 16 -9.940 10.327 2.481 1.00 0.00 C ATOM 176 CD GLU A 16 -10.128 11.782 2.861 1.00 0.00 C ATOM 177 OE1 GLU A 16 -10.333 12.612 1.951 1.00 0.00 O ATOM 178 OE2 GLU A 16 -10.072 12.091 4.070 1.00 0.00 O ATOM 0 H GLU A 16 -6.686 8.743 0.173 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.931 7.986 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.820 10.397 2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.741 10.748 0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.816 9.982 1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.874 9.724 3.387 1.00 0.00 H new ATOM 185 N LEU A 17 -10.134 7.396 -0.137 1.00 0.00 N ATOM 186 CA LEU A 17 -10.928 7.071 -1.316 1.00 0.00 C ATOM 187 C LEU A 17 -12.409 7.340 -1.068 1.00 0.00 C ATOM 188 O LEU A 17 -12.871 7.326 0.074 1.00 0.00 O ATOM 189 CB LEU A 17 -10.723 5.606 -1.705 1.00 0.00 C ATOM 190 CG LEU A 17 -9.280 5.099 -1.676 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.248 3.579 -1.667 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.500 5.643 -2.864 1.00 0.00 C ATOM 0 H LEU A 17 -10.284 6.773 0.657 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.594 7.709 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.318 4.986 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.118 5.459 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.808 5.457 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.213 3.237 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.770 3.209 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.738 3.199 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.476 5.272 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.972 5.315 -3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.493 6.732 -2.827 1.00 0.00 H new ATOM 204 N THR A 18 -13.150 7.583 -2.145 1.00 0.00 N ATOM 205 CA THR A 18 -14.578 7.855 -2.044 1.00 0.00 C ATOM 206 C THR A 18 -15.354 7.129 -3.137 1.00 0.00 C ATOM 207 O THR A 18 -15.176 7.402 -4.325 1.00 0.00 O ATOM 208 CB THR A 18 -14.871 9.364 -2.138 1.00 0.00 C ATOM 209 OG1 THR A 18 -14.121 10.072 -1.145 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.356 9.640 -1.951 1.00 0.00 C ATOM 0 H THR A 18 -12.784 7.597 -3.097 1.00 0.00 H new ATOM 0 HA THR A 18 -14.901 7.490 -1.069 1.00 0.00 H new ATOM 0 HB THR A 18 -14.575 9.707 -3.129 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.312 11.031 -1.213 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.538 10.712 -2.021 1.00 0.00 H new ATOM 0 HG22 THR A 18 -16.922 9.124 -2.726 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.672 9.282 -0.971 1.00 0.00 H new ATOM 218 N LEU A 19 -16.215 6.203 -2.729 1.00 0.00 N ATOM 219 CA LEU A 19 -17.020 5.438 -3.675 1.00 0.00 C ATOM 220 C LEU A 19 -17.494 6.320 -4.826 1.00 0.00 C ATOM 221 O LEU A 19 -17.571 7.543 -4.712 1.00 0.00 O ATOM 222 CB LEU A 19 -18.224 4.816 -2.965 1.00 0.00 C ATOM 223 CG LEU A 19 -17.962 3.506 -2.222 1.00 0.00 C ATOM 224 CD1 LEU A 19 -18.014 2.328 -3.182 1.00 0.00 C ATOM 225 CD2 LEU A 19 -16.618 3.557 -1.509 1.00 0.00 C ATOM 0 H LEU A 19 -16.374 5.964 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.396 4.643 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.615 5.542 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -19.006 4.641 -3.704 1.00 0.00 H new ATOM 0 HG LEU A 19 -18.743 3.373 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -17.825 1.404 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -18.999 2.280 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -17.255 2.454 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.448 2.616 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.824 3.714 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.618 4.377 -0.791 1.00 0.00 H new ATOM 237 N PRO A 20 -17.822 5.686 -5.962 1.00 0.00 N ATOM 238 CA PRO A 20 -17.735 4.230 -6.109 1.00 0.00 C ATOM 239 C PRO A 20 -16.292 3.736 -6.135 1.00 0.00 C ATOM 240 O PRO A 20 -16.038 2.534 -6.210 1.00 0.00 O ATOM 241 CB PRO A 20 -18.413 3.969 -7.456 1.00 0.00 C ATOM 242 CG PRO A 20 -18.255 5.242 -8.213 1.00 0.00 C ATOM 243 CD PRO A 20 -18.304 6.342 -7.189 1.00 0.00 C ATOM 0 HA PRO A 20 -18.200 3.707 -5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.944 3.136 -7.980 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.465 3.713 -7.327 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.311 5.258 -8.757 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -19.050 5.359 -8.950 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.670 7.182 -7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.314 6.732 -7.066 1.00 0.00 H new ATOM 251 N VAL A 21 -15.350 4.671 -6.071 1.00 0.00 N ATOM 252 CA VAL A 21 -13.932 4.331 -6.085 1.00 0.00 C ATOM 253 C VAL A 21 -13.616 3.252 -5.055 1.00 0.00 C ATOM 254 O VAL A 21 -13.341 3.551 -3.893 1.00 0.00 O ATOM 255 CB VAL A 21 -13.055 5.565 -5.805 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.584 5.179 -5.770 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.306 6.644 -6.848 1.00 0.00 C ATOM 0 H VAL A 21 -15.543 5.671 -6.009 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.707 3.955 -7.083 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.324 5.966 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.980 6.064 -5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.420 4.443 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.297 4.753 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.678 7.509 -6.635 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.066 6.256 -7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.354 6.941 -6.819 1.00 0.00 H new ATOM 267 N ASP A 22 -13.656 1.997 -5.489 1.00 0.00 N ATOM 268 CA ASP A 22 -13.372 0.873 -4.605 1.00 0.00 C ATOM 269 C ASP A 22 -12.054 0.204 -4.983 1.00 0.00 C ATOM 270 O ASP A 22 -11.954 -1.023 -5.007 1.00 0.00 O ATOM 271 CB ASP A 22 -14.510 -0.147 -4.661 1.00 0.00 C ATOM 272 CG ASP A 22 -14.824 -0.589 -6.077 1.00 0.00 C ATOM 273 OD1 ASP A 22 -13.915 -0.530 -6.932 1.00 0.00 O ATOM 274 OD2 ASP A 22 -15.977 -0.994 -6.330 1.00 0.00 O ATOM 0 H ASP A 22 -13.882 1.733 -6.448 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.286 1.255 -3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.243 -1.018 -4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.404 0.286 -4.212 1.00 0.00 H new ATOM 279 N SER A 23 -11.046 1.019 -5.279 1.00 0.00 N ATOM 280 CA SER A 23 -9.736 0.506 -5.660 1.00 0.00 C ATOM 281 C SER A 23 -8.672 1.593 -5.542 1.00 0.00 C ATOM 282 O SER A 23 -8.947 2.774 -5.753 1.00 0.00 O ATOM 283 CB SER A 23 -9.773 -0.034 -7.092 1.00 0.00 C ATOM 284 OG SER A 23 -10.221 0.958 -7.999 1.00 0.00 O ATOM 0 H SER A 23 -11.112 2.037 -5.262 1.00 0.00 H new ATOM 0 HA SER A 23 -9.479 -0.306 -4.980 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.779 -0.374 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.433 -0.900 -7.141 1.00 0.00 H new ATOM 0 HG SER A 23 -10.234 0.589 -8.907 1.00 0.00 H new ATOM 290 N THR A 24 -7.453 1.184 -5.201 1.00 0.00 N ATOM 291 CA THR A 24 -6.347 2.121 -5.052 1.00 0.00 C ATOM 292 C THR A 24 -5.007 1.431 -5.282 1.00 0.00 C ATOM 293 O THR A 24 -4.848 0.246 -4.989 1.00 0.00 O ATOM 294 CB THR A 24 -6.344 2.770 -3.655 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.598 3.993 -3.685 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.744 1.829 -2.622 1.00 0.00 C ATOM 0 H THR A 24 -7.208 0.210 -5.023 1.00 0.00 H new ATOM 0 HA THR A 24 -6.487 2.897 -5.804 1.00 0.00 H new ATOM 0 HB THR A 24 -7.376 2.981 -3.374 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.674 3.806 -3.954 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.753 2.309 -1.644 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.331 0.912 -2.581 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.717 1.591 -2.900 1.00 0.00 H new ATOM 304 N THR A 25 -4.043 2.181 -5.809 1.00 0.00 N ATOM 305 CA THR A 25 -2.717 1.641 -6.079 1.00 0.00 C ATOM 306 C THR A 25 -1.703 2.132 -5.052 1.00 0.00 C ATOM 307 O THR A 25 -1.555 3.336 -4.838 1.00 0.00 O ATOM 308 CB THR A 25 -2.229 2.026 -7.489 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.455 3.420 -7.721 1.00 0.00 O ATOM 310 CG2 THR A 25 -2.946 1.207 -8.551 1.00 0.00 C ATOM 0 H THR A 25 -4.157 3.164 -6.057 1.00 0.00 H new ATOM 0 HA THR A 25 -2.800 0.556 -6.014 1.00 0.00 H new ATOM 0 HB THR A 25 -1.161 1.816 -7.551 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.184 3.931 -6.930 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.585 1.496 -9.538 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.748 0.147 -8.388 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.019 1.390 -8.489 1.00 0.00 H new ATOM 318 N LEU A 26 -1.007 1.195 -4.419 1.00 0.00 N ATOM 319 CA LEU A 26 -0.006 1.533 -3.413 1.00 0.00 C ATOM 320 C LEU A 26 1.385 1.610 -4.034 1.00 0.00 C ATOM 321 O LEU A 26 2.107 0.614 -4.089 1.00 0.00 O ATOM 322 CB LEU A 26 -0.017 0.499 -2.285 1.00 0.00 C ATOM 323 CG LEU A 26 -1.276 0.466 -1.418 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.489 -0.924 -0.839 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.185 1.501 -0.306 1.00 0.00 C ATOM 0 H LEU A 26 -1.117 0.195 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.256 2.511 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.124 -0.489 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.840 0.687 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.133 0.711 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.390 -0.928 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.600 -1.643 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.630 -1.198 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.090 1.463 0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.319 1.287 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.081 2.495 -0.742 1.00 0.00 H new ATOM 337 N ASP A 27 1.755 2.798 -4.498 1.00 0.00 N ATOM 338 CA ASP A 27 3.062 3.006 -5.112 1.00 0.00 C ATOM 339 C ASP A 27 4.089 3.439 -4.070 1.00 0.00 C ATOM 340 O ASP A 27 3.992 4.526 -3.502 1.00 0.00 O ATOM 341 CB ASP A 27 2.967 4.057 -6.220 1.00 0.00 C ATOM 342 CG ASP A 27 4.160 4.023 -7.153 1.00 0.00 C ATOM 343 OD1 ASP A 27 5.229 3.532 -6.733 1.00 0.00 O ATOM 344 OD2 ASP A 27 4.027 4.488 -8.305 1.00 0.00 O ATOM 0 H ASP A 27 1.169 3.632 -4.461 1.00 0.00 H new ATOM 0 HA ASP A 27 3.387 2.060 -5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.055 3.894 -6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.888 5.047 -5.772 1.00 0.00 H new ATOM 349 N GLY A 28 5.073 2.579 -3.824 1.00 0.00 N ATOM 350 CA GLY A 28 6.103 2.890 -2.850 1.00 0.00 C ATOM 351 C GLY A 28 7.415 3.282 -3.500 1.00 0.00 C ATOM 352 O GLY A 28 8.481 3.124 -2.905 1.00 0.00 O ATOM 0 H GLY A 28 5.175 1.673 -4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.760 3.703 -2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.264 2.025 -2.207 1.00 0.00 H new ATOM 356 N SER A 29 7.338 3.792 -4.724 1.00 0.00 N ATOM 357 CA SER A 29 8.530 4.203 -5.458 1.00 0.00 C ATOM 358 C SER A 29 9.249 5.338 -4.734 1.00 0.00 C ATOM 359 O SER A 29 10.457 5.520 -4.887 1.00 0.00 O ATOM 360 CB SER A 29 8.157 4.641 -6.875 1.00 0.00 C ATOM 361 OG SER A 29 9.290 5.126 -7.574 1.00 0.00 O ATOM 0 H SER A 29 6.463 3.931 -5.229 1.00 0.00 H new ATOM 0 HA SER A 29 9.204 3.348 -5.516 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.724 3.800 -7.417 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.394 5.418 -6.830 1.00 0.00 H new ATOM 0 HG SER A 29 9.025 5.398 -8.477 1.00 0.00 H new ATOM 367 N LYS A 30 8.497 6.098 -3.946 1.00 0.00 N ATOM 368 CA LYS A 30 9.060 7.216 -3.197 1.00 0.00 C ATOM 369 C LYS A 30 9.826 6.720 -1.975 1.00 0.00 C ATOM 370 O LYS A 30 9.647 7.230 -0.869 1.00 0.00 O ATOM 371 CB LYS A 30 7.950 8.175 -2.762 1.00 0.00 C ATOM 372 CG LYS A 30 7.441 9.065 -3.882 1.00 0.00 C ATOM 373 CD LYS A 30 6.499 8.313 -4.808 1.00 0.00 C ATOM 374 CE LYS A 30 5.094 8.237 -4.230 1.00 0.00 C ATOM 375 NZ LYS A 30 4.333 9.498 -4.454 1.00 0.00 N ATOM 0 H LYS A 30 7.496 5.961 -3.809 1.00 0.00 H new ATOM 0 HA LYS A 30 9.754 7.746 -3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.117 7.596 -2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.320 8.802 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.925 9.926 -3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.285 9.450 -4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.468 8.808 -5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.880 7.306 -4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.559 7.404 -4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.152 8.033 -3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.381 9.406 -4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.830 10.289 -3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.256 9.680 -5.475 1.00 0.00 H new ATOM 389 N SER A 31 10.681 5.724 -2.182 1.00 0.00 N ATOM 390 CA SER A 31 11.473 5.158 -1.096 1.00 0.00 C ATOM 391 C SER A 31 12.849 5.813 -1.029 1.00 0.00 C ATOM 392 O SER A 31 13.872 5.130 -0.963 1.00 0.00 O ATOM 393 CB SER A 31 11.624 3.647 -1.280 1.00 0.00 C ATOM 394 OG SER A 31 12.397 3.347 -2.430 1.00 0.00 O ATOM 0 H SER A 31 10.843 5.292 -3.092 1.00 0.00 H new ATOM 0 HA SER A 31 10.951 5.352 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.097 3.216 -0.398 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.639 3.188 -1.370 1.00 0.00 H new ATOM 0 HG SER A 31 13.237 2.922 -2.158 1.00 0.00 H new ATOM 400 N SER A 32 12.867 7.142 -1.047 1.00 0.00 N ATOM 401 CA SER A 32 14.117 7.891 -0.992 1.00 0.00 C ATOM 402 C SER A 32 15.071 7.281 0.030 1.00 0.00 C ATOM 403 O SER A 32 16.151 6.804 -0.320 1.00 0.00 O ATOM 404 CB SER A 32 13.844 9.355 -0.642 1.00 0.00 C ATOM 405 OG SER A 32 14.906 10.189 -1.072 1.00 0.00 O ATOM 0 H SER A 32 12.030 7.722 -1.099 1.00 0.00 H new ATOM 0 HA SER A 32 14.585 7.841 -1.975 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.913 9.676 -1.109 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.711 9.456 0.435 1.00 0.00 H new ATOM 0 HG SER A 32 14.706 11.120 -0.838 1.00 0.00 H new ATOM 411 N ASP A 33 14.665 7.301 1.295 1.00 0.00 N ATOM 412 CA ASP A 33 15.482 6.750 2.369 1.00 0.00 C ATOM 413 C ASP A 33 16.207 5.489 1.908 1.00 0.00 C ATOM 414 O ASP A 33 17.427 5.383 2.031 1.00 0.00 O ATOM 415 CB ASP A 33 14.614 6.437 3.589 1.00 0.00 C ATOM 416 CG ASP A 33 15.422 5.888 4.749 1.00 0.00 C ATOM 417 OD1 ASP A 33 15.716 4.674 4.746 1.00 0.00 O ATOM 418 OD2 ASP A 33 15.762 6.673 5.659 1.00 0.00 O ATOM 0 H ASP A 33 13.775 7.693 1.601 1.00 0.00 H new ATOM 0 HA ASP A 33 16.228 7.496 2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.098 7.343 3.906 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.847 5.714 3.310 1.00 0.00 H new ATOM 423 N ASP A 34 15.448 4.536 1.379 1.00 0.00 N ATOM 424 CA ASP A 34 16.018 3.282 0.899 1.00 0.00 C ATOM 425 C ASP A 34 15.629 3.029 -0.554 1.00 0.00 C ATOM 426 O ASP A 34 14.578 2.454 -0.833 1.00 0.00 O ATOM 427 CB ASP A 34 15.553 2.118 1.775 1.00 0.00 C ATOM 428 CG ASP A 34 16.467 1.884 2.961 1.00 0.00 C ATOM 429 OD1 ASP A 34 17.233 2.807 3.312 1.00 0.00 O ATOM 430 OD2 ASP A 34 16.417 0.779 3.540 1.00 0.00 O ATOM 0 H ASP A 34 14.436 4.608 1.272 1.00 0.00 H new ATOM 0 HA ASP A 34 17.104 3.359 0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.543 2.317 2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.505 1.211 1.173 1.00 0.00 H new ATOM 435 N GLN A 35 16.484 3.464 -1.474 1.00 0.00 N ATOM 436 CA GLN A 35 16.228 3.286 -2.898 1.00 0.00 C ATOM 437 C GLN A 35 17.018 2.104 -3.450 1.00 0.00 C ATOM 438 O GLN A 35 16.719 1.591 -4.529 1.00 0.00 O ATOM 439 CB GLN A 35 16.588 4.559 -3.666 1.00 0.00 C ATOM 440 CG GLN A 35 15.675 5.734 -3.357 1.00 0.00 C ATOM 441 CD GLN A 35 15.630 6.749 -4.482 1.00 0.00 C ATOM 442 OE1 GLN A 35 14.739 6.713 -5.331 1.00 0.00 O ATOM 443 NE2 GLN A 35 16.594 7.663 -4.495 1.00 0.00 N ATOM 0 H GLN A 35 17.359 3.942 -1.259 1.00 0.00 H new ATOM 0 HA GLN A 35 15.165 3.081 -3.027 1.00 0.00 H new ATOM 0 HB2 GLN A 35 17.616 4.837 -3.432 1.00 0.00 H new ATOM 0 HB3 GLN A 35 16.550 4.351 -4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 35 14.667 5.366 -3.165 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.015 6.223 -2.444 1.00 0.00 H new ATOM 0 HE21 GLN A 35 17.313 7.656 -3.772 1.00 0.00 H new ATOM 0 HE22 GLN A 35 16.615 8.372 -5.228 1.00 0.00 H new ATOM 452 N LYS A 36 18.030 1.675 -2.703 1.00 0.00 N ATOM 453 CA LYS A 36 18.865 0.553 -3.115 1.00 0.00 C ATOM 454 C LYS A 36 18.431 -0.733 -2.419 1.00 0.00 C ATOM 455 O LYS A 36 19.142 -1.254 -1.560 1.00 0.00 O ATOM 456 CB LYS A 36 20.335 0.843 -2.804 1.00 0.00 C ATOM 457 CG LYS A 36 21.303 -0.065 -3.542 1.00 0.00 C ATOM 458 CD LYS A 36 21.483 0.368 -4.988 1.00 0.00 C ATOM 459 CE LYS A 36 22.594 1.397 -5.127 1.00 0.00 C ATOM 460 NZ LYS A 36 23.910 0.855 -4.688 1.00 0.00 N ATOM 0 H LYS A 36 18.292 2.088 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 36 18.747 0.421 -4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.554 1.879 -3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 36 20.498 0.739 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 36 22.268 -0.057 -3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 36 20.936 -1.091 -3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 36 21.712 -0.502 -5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 36 20.549 0.787 -5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 36 22.662 1.720 -6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 36 22.349 2.279 -4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 24.674 1.351 -5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 24.019 0.996 -3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 23.957 -0.161 -4.904 1.00 0.00 H new ATOM 474 N ILE A 37 17.261 -1.238 -2.795 1.00 0.00 N ATOM 475 CA ILE A 37 16.735 -2.464 -2.208 1.00 0.00 C ATOM 476 C ILE A 37 16.408 -3.493 -3.284 1.00 0.00 C ATOM 477 O ILE A 37 16.078 -3.138 -4.416 1.00 0.00 O ATOM 478 CB ILE A 37 15.470 -2.191 -1.373 1.00 0.00 C ATOM 479 CG1 ILE A 37 14.449 -1.405 -2.197 1.00 0.00 C ATOM 480 CG2 ILE A 37 15.828 -1.435 -0.102 1.00 0.00 C ATOM 481 CD1 ILE A 37 13.234 -0.976 -1.405 1.00 0.00 C ATOM 0 H ILE A 37 16.660 -0.817 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 37 17.513 -2.860 -1.555 1.00 0.00 H new ATOM 0 HB ILE A 37 15.025 -3.145 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 37 14.933 -0.521 -2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 37 14.126 -2.017 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 37 14.924 -1.249 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 37 16.524 -2.029 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 37 16.293 -0.484 -0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.554 -0.424 -2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 37 12.726 -1.857 -1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 37 13.545 -0.338 -0.578 1.00 0.00 H new ATOM 493 N ILE A 38 16.499 -4.769 -2.924 1.00 0.00 N ATOM 494 CA ILE A 38 16.210 -5.849 -3.858 1.00 0.00 C ATOM 495 C ILE A 38 15.102 -6.753 -3.328 1.00 0.00 C ATOM 496 O ILE A 38 15.185 -7.977 -3.425 1.00 0.00 O ATOM 497 CB ILE A 38 17.461 -6.701 -4.139 1.00 0.00 C ATOM 498 CG1 ILE A 38 18.232 -6.957 -2.842 1.00 0.00 C ATOM 499 CG2 ILE A 38 18.351 -6.014 -5.164 1.00 0.00 C ATOM 500 CD1 ILE A 38 19.209 -8.108 -2.937 1.00 0.00 C ATOM 0 H ILE A 38 16.771 -5.080 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 38 15.882 -5.382 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 38 17.145 -7.661 -4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 38 18.774 -6.052 -2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 38 17.522 -7.159 -2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 38 19.231 -6.629 -5.352 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.798 -5.878 -6.093 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.662 -5.042 -4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 38 19.720 -8.232 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 38 18.670 -9.023 -3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.942 -7.899 -3.716 1.00 0.00 H new ATOM 512 N SER A 39 14.063 -6.140 -2.768 1.00 0.00 N ATOM 513 CA SER A 39 12.938 -6.889 -2.220 1.00 0.00 C ATOM 514 C SER A 39 11.708 -5.998 -2.082 1.00 0.00 C ATOM 515 O SER A 39 11.799 -4.863 -1.612 1.00 0.00 O ATOM 516 CB SER A 39 13.308 -7.482 -0.859 1.00 0.00 C ATOM 517 OG SER A 39 12.165 -7.609 -0.031 1.00 0.00 O ATOM 0 H SER A 39 13.977 -5.127 -2.682 1.00 0.00 H new ATOM 0 HA SER A 39 12.702 -7.700 -2.910 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.771 -8.459 -0.998 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.046 -6.846 -0.370 1.00 0.00 H new ATOM 0 HG SER A 39 12.398 -7.363 0.888 1.00 0.00 H new ATOM 523 N TYR A 40 10.558 -6.519 -2.496 1.00 0.00 N ATOM 524 CA TYR A 40 9.309 -5.771 -2.421 1.00 0.00 C ATOM 525 C TYR A 40 8.143 -6.692 -2.073 1.00 0.00 C ATOM 526 O TYR A 40 7.919 -7.707 -2.734 1.00 0.00 O ATOM 527 CB TYR A 40 9.035 -5.062 -3.748 1.00 0.00 C ATOM 528 CG TYR A 40 9.991 -3.927 -4.037 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.930 -2.741 -3.316 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.955 -4.040 -5.031 1.00 0.00 C ATOM 531 CE1 TYR A 40 10.801 -1.701 -3.577 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.831 -3.006 -5.297 1.00 0.00 C ATOM 533 CZ TYR A 40 11.750 -1.838 -4.568 1.00 0.00 C ATOM 534 OH TYR A 40 12.620 -0.805 -4.831 1.00 0.00 O ATOM 0 H TYR A 40 10.465 -7.457 -2.887 1.00 0.00 H new ATOM 0 HA TYR A 40 9.408 -5.026 -1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.093 -5.790 -4.558 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.016 -4.675 -3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.189 -2.630 -2.538 1.00 0.00 H new ATOM 0 HD2 TYR A 40 11.020 -4.952 -5.606 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.739 -0.785 -3.008 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.576 -3.111 -6.072 1.00 0.00 H new ATOM 0 HH TYR A 40 13.225 -1.064 -5.557 1.00 0.00 H new ATOM 544 N LEU A 41 7.402 -6.329 -1.032 1.00 0.00 N ATOM 545 CA LEU A 41 6.257 -7.120 -0.595 1.00 0.00 C ATOM 546 C LEU A 41 5.117 -6.219 -0.131 1.00 0.00 C ATOM 547 O LEU A 41 5.349 -5.139 0.411 1.00 0.00 O ATOM 548 CB LEU A 41 6.668 -8.065 0.536 1.00 0.00 C ATOM 549 CG LEU A 41 5.565 -8.968 1.090 1.00 0.00 C ATOM 550 CD1 LEU A 41 5.099 -9.954 0.029 1.00 0.00 C ATOM 551 CD2 LEU A 41 6.051 -9.705 2.329 1.00 0.00 C ATOM 0 H LEU A 41 7.574 -5.492 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 41 5.908 -7.708 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.481 -8.696 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.066 -7.467 1.356 1.00 0.00 H new ATOM 0 HG LEU A 41 4.718 -8.343 1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.314 -10.588 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.710 -9.407 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.939 -10.574 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.253 -10.343 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.915 -10.319 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.334 -8.983 3.094 1.00 0.00 H new ATOM 563 N TRP A 42 3.888 -6.671 -0.347 1.00 0.00 N ATOM 564 CA TRP A 42 2.711 -5.906 0.050 1.00 0.00 C ATOM 565 C TRP A 42 1.647 -6.817 0.652 1.00 0.00 C ATOM 566 O TRP A 42 1.198 -7.767 0.012 1.00 0.00 O ATOM 567 CB TRP A 42 2.137 -5.154 -1.151 1.00 0.00 C ATOM 568 CG TRP A 42 2.851 -3.870 -1.445 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.875 -3.685 -2.330 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.597 -2.592 -0.851 1.00 0.00 C ATOM 571 NE1 TRP A 42 4.272 -2.370 -2.322 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.503 -1.678 -1.424 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.690 -2.130 0.107 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.528 -0.333 -1.068 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.716 -0.795 0.460 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.629 0.092 -0.127 1.00 0.00 C ATOM 0 H TRP A 42 3.680 -7.563 -0.795 1.00 0.00 H new ATOM 0 HA TRP A 42 3.016 -5.185 0.808 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.185 -5.797 -2.030 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.084 -4.942 -0.968 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.309 -4.459 -2.946 1.00 0.00 H new ATOM 0 HE1 TRP A 42 5.019 -1.973 -2.892 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.981 -2.805 0.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.232 0.351 -1.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.021 -0.428 1.201 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.623 1.131 0.169 1.00 0.00 H new ATOM 587 N GLU A 43 1.248 -6.521 1.885 1.00 0.00 N ATOM 588 CA GLU A 43 0.237 -7.316 2.571 1.00 0.00 C ATOM 589 C GLU A 43 -0.599 -6.444 3.504 1.00 0.00 C ATOM 590 O GLU A 43 -0.092 -5.502 4.112 1.00 0.00 O ATOM 591 CB GLU A 43 0.896 -8.446 3.366 1.00 0.00 C ATOM 592 CG GLU A 43 1.669 -9.427 2.501 1.00 0.00 C ATOM 593 CD GLU A 43 0.774 -10.473 1.865 1.00 0.00 C ATOM 594 OE1 GLU A 43 0.559 -11.532 2.492 1.00 0.00 O ATOM 595 OE2 GLU A 43 0.290 -10.233 0.739 1.00 0.00 O ATOM 0 H GLU A 43 1.609 -5.737 2.429 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.421 -7.748 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.572 -8.014 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.127 -8.988 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.195 -8.880 1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.427 -9.923 3.108 1.00 0.00 H new ATOM 602 N LYS A 44 -1.884 -6.766 3.611 1.00 0.00 N ATOM 603 CA LYS A 44 -2.792 -6.015 4.469 1.00 0.00 C ATOM 604 C LYS A 44 -2.711 -6.507 5.911 1.00 0.00 C ATOM 605 O LYS A 44 -3.138 -7.619 6.224 1.00 0.00 O ATOM 606 CB LYS A 44 -4.229 -6.138 3.957 1.00 0.00 C ATOM 607 CG LYS A 44 -5.255 -5.468 4.856 1.00 0.00 C ATOM 608 CD LYS A 44 -6.614 -5.382 4.183 1.00 0.00 C ATOM 609 CE LYS A 44 -7.296 -6.741 4.129 1.00 0.00 C ATOM 610 NZ LYS A 44 -7.263 -7.431 5.448 1.00 0.00 N ATOM 0 H LYS A 44 -2.320 -7.543 3.114 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.492 -4.967 4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.290 -5.699 2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.481 -7.194 3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.344 -6.027 5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.913 -4.466 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.246 -4.678 4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.497 -4.992 3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.331 -6.616 3.811 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.806 -7.364 3.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.082 -8.067 5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.386 -7.984 5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.299 -6.724 6.210 1.00 0.00 H new ATOM 624 N THR A 45 -2.161 -5.671 6.787 1.00 0.00 N ATOM 625 CA THR A 45 -2.025 -6.021 8.195 1.00 0.00 C ATOM 626 C THR A 45 -3.372 -5.971 8.907 1.00 0.00 C ATOM 627 O THR A 45 -3.708 -6.866 9.681 1.00 0.00 O ATOM 628 CB THR A 45 -1.040 -5.080 8.915 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.059 -3.787 8.299 1.00 0.00 O ATOM 630 CG2 THR A 45 0.372 -5.644 8.878 1.00 0.00 C ATOM 0 H THR A 45 -1.803 -4.747 6.546 1.00 0.00 H new ATOM 0 HA THR A 45 -1.636 -7.039 8.232 1.00 0.00 H new ATOM 0 HB THR A 45 -1.351 -4.991 9.956 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.142 -3.510 8.091 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.050 -4.963 9.392 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.389 -6.615 9.373 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.691 -5.759 7.842 1.00 0.00 H new ATOM 638 N GLN A 46 -4.138 -4.918 8.639 1.00 0.00 N ATOM 639 CA GLN A 46 -5.449 -4.752 9.256 1.00 0.00 C ATOM 640 C GLN A 46 -6.504 -4.412 8.208 1.00 0.00 C ATOM 641 O GLN A 46 -6.183 -4.171 7.045 1.00 0.00 O ATOM 642 CB GLN A 46 -5.400 -3.656 10.321 1.00 0.00 C ATOM 643 CG GLN A 46 -5.068 -4.174 11.712 1.00 0.00 C ATOM 644 CD GLN A 46 -4.719 -3.061 12.681 1.00 0.00 C ATOM 645 OE1 GLN A 46 -5.174 -1.927 12.532 1.00 0.00 O ATOM 646 NE2 GLN A 46 -3.906 -3.381 13.681 1.00 0.00 N ATOM 0 H GLN A 46 -3.874 -4.168 8.000 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.722 -5.695 9.728 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.657 -2.913 10.032 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.364 -3.148 10.352 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.919 -4.735 12.100 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.231 -4.869 11.647 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.552 -4.334 13.766 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.635 -2.674 14.364 1.00 0.00 H new ATOM 655 N GLY A 47 -7.765 -4.395 8.629 1.00 0.00 N ATOM 656 CA GLY A 47 -8.848 -4.084 7.715 1.00 0.00 C ATOM 657 C GLY A 47 -9.758 -5.272 7.468 1.00 0.00 C ATOM 658 O GLY A 47 -9.440 -6.408 7.821 1.00 0.00 O ATOM 0 H GLY A 47 -8.056 -4.591 9.587 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.435 -3.259 8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.432 -3.745 6.766 1.00 0.00 H new ATOM 662 N PRO A 48 -10.920 -5.014 6.850 1.00 0.00 N ATOM 663 CA PRO A 48 -11.902 -6.057 6.544 1.00 0.00 C ATOM 664 C PRO A 48 -11.419 -7.006 5.452 1.00 0.00 C ATOM 665 O PRO A 48 -11.310 -6.623 4.287 1.00 0.00 O ATOM 666 CB PRO A 48 -13.122 -5.267 6.064 1.00 0.00 C ATOM 667 CG PRO A 48 -12.564 -3.986 5.547 1.00 0.00 C ATOM 668 CD PRO A 48 -11.363 -3.683 6.401 1.00 0.00 C ATOM 0 HA PRO A 48 -12.102 -6.694 7.406 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.662 -5.806 5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.826 -5.092 6.878 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.284 -4.078 4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.301 -3.185 5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.586 -3.171 5.834 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.620 -3.040 7.243 1.00 0.00 H new ATOM 676 N ASP A 49 -11.132 -8.245 5.836 1.00 0.00 N ATOM 677 CA ASP A 49 -10.662 -9.250 4.889 1.00 0.00 C ATOM 678 C ASP A 49 -11.572 -9.311 3.666 1.00 0.00 C ATOM 679 O ASP A 49 -12.774 -9.067 3.761 1.00 0.00 O ATOM 680 CB ASP A 49 -10.596 -10.622 5.560 1.00 0.00 C ATOM 681 CG ASP A 49 -11.940 -11.067 6.102 1.00 0.00 C ATOM 682 OD1 ASP A 49 -12.440 -10.425 7.049 1.00 0.00 O ATOM 683 OD2 ASP A 49 -12.492 -12.059 5.580 1.00 0.00 O ATOM 0 H ASP A 49 -11.217 -8.578 6.796 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.662 -8.966 4.562 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.236 -11.358 4.841 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.872 -10.591 6.374 1.00 0.00 H new ATOM 688 N GLY A 50 -10.988 -9.637 2.516 1.00 0.00 N ATOM 689 CA GLY A 50 -11.761 -9.723 1.291 1.00 0.00 C ATOM 690 C GLY A 50 -11.055 -9.079 0.114 1.00 0.00 C ATOM 691 O GLY A 50 -10.916 -9.688 -0.946 1.00 0.00 O ATOM 0 H GLY A 50 -9.994 -9.843 2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.960 -10.770 1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.727 -9.240 1.440 1.00 0.00 H new ATOM 695 N VAL A 51 -10.609 -7.840 0.300 1.00 0.00 N ATOM 696 CA VAL A 51 -9.914 -7.112 -0.755 1.00 0.00 C ATOM 697 C VAL A 51 -8.883 -7.996 -1.446 1.00 0.00 C ATOM 698 O VAL A 51 -8.437 -8.998 -0.888 1.00 0.00 O ATOM 699 CB VAL A 51 -9.210 -5.858 -0.201 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.128 -5.107 0.750 1.00 0.00 C ATOM 701 CG2 VAL A 51 -7.909 -6.239 0.489 1.00 0.00 C ATOM 0 H VAL A 51 -10.717 -7.320 1.171 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.669 -6.806 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.972 -5.197 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.614 -4.225 1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.030 -4.801 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.400 -5.756 1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.425 -5.341 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.120 -6.920 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.248 -6.729 -0.226 1.00 0.00 H new ATOM 711 N GLN A 52 -8.508 -7.618 -2.664 1.00 0.00 N ATOM 712 CA GLN A 52 -7.529 -8.378 -3.432 1.00 0.00 C ATOM 713 C GLN A 52 -6.319 -7.516 -3.777 1.00 0.00 C ATOM 714 O GLN A 52 -6.462 -6.378 -4.226 1.00 0.00 O ATOM 715 CB GLN A 52 -8.164 -8.922 -4.713 1.00 0.00 C ATOM 716 CG GLN A 52 -8.962 -10.198 -4.502 1.00 0.00 C ATOM 717 CD GLN A 52 -8.104 -11.445 -4.599 1.00 0.00 C ATOM 718 OE1 GLN A 52 -7.021 -11.514 -4.017 1.00 0.00 O ATOM 719 NE2 GLN A 52 -8.585 -12.439 -5.337 1.00 0.00 N ATOM 0 H GLN A 52 -8.867 -6.790 -3.140 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.194 -9.214 -2.818 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.818 -8.160 -5.136 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.379 -9.111 -5.446 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.440 -10.166 -3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.759 -10.251 -5.244 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.487 -12.339 -5.802 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.052 -13.303 -5.439 1.00 0.00 H new ATOM 728 N LEU A 53 -5.128 -8.064 -3.564 1.00 0.00 N ATOM 729 CA LEU A 53 -3.892 -7.345 -3.852 1.00 0.00 C ATOM 730 C LEU A 53 -3.187 -7.938 -5.067 1.00 0.00 C ATOM 731 O LEU A 53 -2.940 -9.142 -5.127 1.00 0.00 O ATOM 732 CB LEU A 53 -2.961 -7.384 -2.638 1.00 0.00 C ATOM 733 CG LEU A 53 -3.105 -6.232 -1.644 1.00 0.00 C ATOM 734 CD1 LEU A 53 -2.762 -6.695 -0.237 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.222 -5.061 -2.053 1.00 0.00 C ATOM 0 H LEU A 53 -4.992 -9.004 -3.193 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.147 -6.309 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.130 -8.320 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.931 -7.402 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.143 -5.898 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.870 -5.861 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.436 -7.500 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.734 -7.056 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.337 -4.250 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.180 -5.381 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.515 -4.713 -3.043 1.00 0.00 H new ATOM 747 N GLU A 54 -2.865 -7.084 -6.033 1.00 0.00 N ATOM 748 CA GLU A 54 -2.187 -7.524 -7.247 1.00 0.00 C ATOM 749 C GLU A 54 -0.776 -6.946 -7.322 1.00 0.00 C ATOM 750 O GLU A 54 -0.548 -5.790 -6.969 1.00 0.00 O ATOM 751 CB GLU A 54 -2.986 -7.109 -8.484 1.00 0.00 C ATOM 752 CG GLU A 54 -4.161 -8.025 -8.784 1.00 0.00 C ATOM 753 CD GLU A 54 -5.266 -7.323 -9.550 1.00 0.00 C ATOM 754 OE1 GLU A 54 -6.040 -6.573 -8.920 1.00 0.00 O ATOM 755 OE2 GLU A 54 -5.357 -7.525 -10.779 1.00 0.00 O ATOM 0 H GLU A 54 -3.062 -6.084 -5.999 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.115 -8.611 -7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.355 -6.093 -8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.320 -7.091 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.811 -8.881 -9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.563 -8.413 -7.848 1.00 0.00 H new ATOM 762 N ASN A 55 0.167 -7.761 -7.785 1.00 0.00 N ATOM 763 CA ASN A 55 1.555 -7.332 -7.906 1.00 0.00 C ATOM 764 C ASN A 55 2.134 -6.972 -6.541 1.00 0.00 C ATOM 765 O ASN A 55 2.929 -6.040 -6.419 1.00 0.00 O ATOM 766 CB ASN A 55 1.660 -6.132 -8.850 1.00 0.00 C ATOM 767 CG ASN A 55 1.872 -6.549 -10.292 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.872 -7.184 -10.626 1.00 0.00 O ATOM 769 ND2 ASN A 55 0.929 -6.190 -11.156 1.00 0.00 N ATOM 0 H ASN A 55 -0.005 -8.721 -8.082 1.00 0.00 H new ATOM 0 HA ASN A 55 2.131 -8.161 -8.318 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.751 -5.535 -8.777 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.486 -5.495 -8.533 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.017 -6.441 -12.141 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.116 -5.664 -10.835 1.00 0.00 H new ATOM 776 N ALA A 56 1.730 -7.717 -5.518 1.00 0.00 N ATOM 777 CA ALA A 56 2.211 -7.478 -4.162 1.00 0.00 C ATOM 778 C ALA A 56 3.720 -7.673 -4.073 1.00 0.00 C ATOM 779 O ALA A 56 4.365 -7.180 -3.148 1.00 0.00 O ATOM 780 CB ALA A 56 1.499 -8.398 -3.181 1.00 0.00 C ATOM 0 H ALA A 56 1.071 -8.491 -5.602 1.00 0.00 H new ATOM 0 HA ALA A 56 1.989 -6.443 -3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.867 -8.209 -2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.426 -8.208 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.693 -9.436 -3.450 1.00 0.00 H new ATOM 786 N ASN A 57 4.278 -8.394 -5.039 1.00 0.00 N ATOM 787 CA ASN A 57 5.713 -8.655 -5.068 1.00 0.00 C ATOM 788 C ASN A 57 6.452 -7.543 -5.806 1.00 0.00 C ATOM 789 O ASN A 57 7.545 -7.753 -6.332 1.00 0.00 O ATOM 790 CB ASN A 57 5.994 -10.001 -5.738 1.00 0.00 C ATOM 791 CG ASN A 57 7.306 -10.611 -5.281 1.00 0.00 C ATOM 792 OD1 ASN A 57 8.298 -10.594 -6.010 1.00 0.00 O ATOM 793 ND2 ASN A 57 7.315 -11.154 -4.069 1.00 0.00 N ATOM 0 H ASN A 57 3.759 -8.808 -5.813 1.00 0.00 H new ATOM 0 HA ASN A 57 6.073 -8.687 -4.040 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.179 -10.691 -5.518 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.015 -9.868 -6.820 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.168 -11.580 -3.707 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.469 -11.145 -3.500 1.00 0.00 H new ATOM 800 N SER A 58 5.849 -6.359 -5.840 1.00 0.00 N ATOM 801 CA SER A 58 6.448 -5.214 -6.516 1.00 0.00 C ATOM 802 C SER A 58 6.275 -3.944 -5.689 1.00 0.00 C ATOM 803 O SER A 58 5.443 -3.888 -4.784 1.00 0.00 O ATOM 804 CB SER A 58 5.822 -5.026 -7.899 1.00 0.00 C ATOM 805 OG SER A 58 6.704 -4.339 -8.769 1.00 0.00 O ATOM 0 H SER A 58 4.946 -6.167 -5.407 1.00 0.00 H new ATOM 0 HA SER A 58 7.514 -5.409 -6.632 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.572 -5.998 -8.323 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.890 -4.469 -7.807 1.00 0.00 H new ATOM 0 HG SER A 58 6.281 -4.233 -9.647 1.00 0.00 H new ATOM 811 N SER A 59 7.067 -2.925 -6.008 1.00 0.00 N ATOM 812 CA SER A 59 7.006 -1.656 -5.293 1.00 0.00 C ATOM 813 C SER A 59 5.652 -0.983 -5.498 1.00 0.00 C ATOM 814 O SER A 59 5.321 -0.008 -4.822 1.00 0.00 O ATOM 815 CB SER A 59 8.126 -0.727 -5.763 1.00 0.00 C ATOM 816 OG SER A 59 9.381 -1.384 -5.730 1.00 0.00 O ATOM 0 H SER A 59 7.759 -2.954 -6.757 1.00 0.00 H new ATOM 0 HA SER A 59 7.135 -1.859 -4.230 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.918 -0.385 -6.777 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.159 0.158 -5.128 1.00 0.00 H new ATOM 0 HG SER A 59 9.714 -1.407 -4.809 1.00 0.00 H new ATOM 822 N VAL A 60 4.872 -1.509 -6.437 1.00 0.00 N ATOM 823 CA VAL A 60 3.553 -0.961 -6.732 1.00 0.00 C ATOM 824 C VAL A 60 2.486 -2.049 -6.696 1.00 0.00 C ATOM 825 O VAL A 60 2.452 -2.929 -7.555 1.00 0.00 O ATOM 826 CB VAL A 60 3.526 -0.276 -8.111 1.00 0.00 C ATOM 827 CG1 VAL A 60 2.157 0.330 -8.379 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.614 0.784 -8.200 1.00 0.00 C ATOM 0 H VAL A 60 5.131 -2.314 -7.007 1.00 0.00 H new ATOM 0 HA VAL A 60 3.338 -0.220 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 60 3.720 -1.028 -8.876 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.157 0.810 -9.358 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.401 -0.455 -8.360 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.930 1.071 -7.612 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.581 1.258 -9.181 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.453 1.536 -7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.589 0.318 -8.055 1.00 0.00 H new ATOM 838 N ALA A 61 1.614 -1.981 -5.695 1.00 0.00 N ATOM 839 CA ALA A 61 0.542 -2.959 -5.548 1.00 0.00 C ATOM 840 C ALA A 61 -0.817 -2.332 -5.842 1.00 0.00 C ATOM 841 O ALA A 61 -0.972 -1.111 -5.796 1.00 0.00 O ATOM 842 CB ALA A 61 0.560 -3.554 -4.148 1.00 0.00 C ATOM 0 H ALA A 61 1.629 -1.259 -4.974 1.00 0.00 H new ATOM 0 HA ALA A 61 0.709 -3.757 -6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.245 -4.282 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.517 -4.046 -3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.421 -2.761 -3.414 1.00 0.00 H new ATOM 848 N THR A 62 -1.799 -3.175 -6.144 1.00 0.00 N ATOM 849 CA THR A 62 -3.145 -2.704 -6.447 1.00 0.00 C ATOM 850 C THR A 62 -4.185 -3.436 -5.607 1.00 0.00 C ATOM 851 O THR A 62 -4.348 -4.650 -5.722 1.00 0.00 O ATOM 852 CB THR A 62 -3.482 -2.889 -7.938 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.521 -2.203 -8.747 1.00 0.00 O ATOM 854 CG2 THR A 62 -4.877 -2.367 -8.246 1.00 0.00 C ATOM 0 H THR A 62 -1.688 -4.188 -6.185 1.00 0.00 H new ATOM 0 HA THR A 62 -3.170 -1.641 -6.206 1.00 0.00 H new ATOM 0 HB THR A 62 -3.452 -3.955 -8.165 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.742 -2.327 -9.694 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.093 -2.508 -9.305 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.609 -2.912 -7.651 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.930 -1.306 -8.003 1.00 0.00 H new ATOM 862 N VAL A 63 -4.889 -2.688 -4.762 1.00 0.00 N ATOM 863 CA VAL A 63 -5.916 -3.266 -3.904 1.00 0.00 C ATOM 864 C VAL A 63 -7.309 -3.022 -4.473 1.00 0.00 C ATOM 865 O VAL A 63 -7.768 -1.882 -4.555 1.00 0.00 O ATOM 866 CB VAL A 63 -5.847 -2.687 -2.478 1.00 0.00 C ATOM 867 CG1 VAL A 63 -6.932 -3.294 -1.602 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.470 -2.920 -1.875 1.00 0.00 C ATOM 0 H VAL A 63 -4.766 -1.681 -4.654 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.727 -4.339 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.017 -1.612 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.867 -2.873 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.910 -3.070 -2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.797 -4.374 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.439 -2.505 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.268 -3.990 -1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.715 -2.432 -2.492 1.00 0.00 H new ATOM 878 N THR A 64 -7.980 -4.100 -4.865 1.00 0.00 N ATOM 879 CA THR A 64 -9.321 -4.004 -5.428 1.00 0.00 C ATOM 880 C THR A 64 -10.361 -4.577 -4.471 1.00 0.00 C ATOM 881 O THR A 64 -10.062 -5.463 -3.672 1.00 0.00 O ATOM 882 CB THR A 64 -9.419 -4.741 -6.776 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.396 -6.157 -6.563 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.274 -4.344 -7.695 1.00 0.00 C ATOM 0 H THR A 64 -7.616 -5.051 -4.803 1.00 0.00 H new ATOM 0 HA THR A 64 -9.522 -2.945 -5.587 1.00 0.00 H new ATOM 0 HB THR A 64 -10.359 -4.460 -7.250 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.460 -6.619 -7.425 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.365 -4.878 -8.641 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.311 -3.270 -7.879 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.325 -4.599 -7.224 1.00 0.00 H new ATOM 892 N GLY A 65 -11.585 -4.065 -4.559 1.00 0.00 N ATOM 893 CA GLY A 65 -12.651 -4.539 -3.696 1.00 0.00 C ATOM 894 C GLY A 65 -12.665 -3.836 -2.353 1.00 0.00 C ATOM 895 O GLY A 65 -12.855 -4.470 -1.314 1.00 0.00 O ATOM 0 H GLY A 65 -11.857 -3.331 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.610 -4.388 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.538 -5.612 -3.540 1.00 0.00 H new ATOM 899 N LEU A 66 -12.460 -2.524 -2.372 1.00 0.00 N ATOM 900 CA LEU A 66 -12.448 -1.734 -1.145 1.00 0.00 C ATOM 901 C LEU A 66 -13.840 -1.192 -0.833 1.00 0.00 C ATOM 902 O LEU A 66 -14.723 -1.193 -1.690 1.00 0.00 O ATOM 903 CB LEU A 66 -11.455 -0.578 -1.270 1.00 0.00 C ATOM 904 CG LEU A 66 -9.975 -0.963 -1.284 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.141 0.145 -1.907 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.490 -1.270 0.126 1.00 0.00 C ATOM 0 H LEU A 66 -12.300 -1.984 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.139 -2.384 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.677 -0.033 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.623 0.110 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.859 -1.861 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.091 -0.147 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.471 0.317 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.262 1.061 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.435 -1.542 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.620 -0.390 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.067 -2.098 0.537 1.00 0.00 H new ATOM 918 N GLN A 67 -14.026 -0.728 0.399 1.00 0.00 N ATOM 919 CA GLN A 67 -15.310 -0.182 0.823 1.00 0.00 C ATOM 920 C GLN A 67 -15.177 0.548 2.155 1.00 0.00 C ATOM 921 O GLN A 67 -14.172 0.411 2.853 1.00 0.00 O ATOM 922 CB GLN A 67 -16.349 -1.298 0.941 1.00 0.00 C ATOM 923 CG GLN A 67 -15.943 -2.409 1.895 1.00 0.00 C ATOM 924 CD GLN A 67 -16.381 -2.142 3.322 1.00 0.00 C ATOM 925 OE1 GLN A 67 -17.570 -1.979 3.598 1.00 0.00 O ATOM 926 NE2 GLN A 67 -15.420 -2.096 4.238 1.00 0.00 N ATOM 0 H GLN A 67 -13.305 -0.719 1.120 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.640 0.533 0.069 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.294 -0.870 1.276 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.525 -1.725 -0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.376 -3.350 1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.860 -2.528 1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.448 -2.237 3.964 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.655 -1.920 5.215 1.00 0.00 H new ATOM 935 N VAL A 68 -16.198 1.325 2.503 1.00 0.00 N ATOM 936 CA VAL A 68 -16.196 2.077 3.752 1.00 0.00 C ATOM 937 C VAL A 68 -15.476 1.308 4.855 1.00 0.00 C ATOM 938 O VAL A 68 -15.870 0.199 5.211 1.00 0.00 O ATOM 939 CB VAL A 68 -17.629 2.398 4.216 1.00 0.00 C ATOM 940 CG1 VAL A 68 -17.604 3.291 5.447 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.420 3.049 3.091 1.00 0.00 C ATOM 0 H VAL A 68 -17.037 1.450 1.937 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.667 3.010 3.559 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.123 1.464 4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.625 3.507 5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.077 2.783 6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.092 4.224 5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.430 3.269 3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.930 3.975 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.468 2.370 2.240 1.00 0.00 H new ATOM 951 N GLY A 69 -14.418 1.908 5.393 1.00 0.00 N ATOM 952 CA GLY A 69 -13.660 1.265 6.450 1.00 0.00 C ATOM 953 C GLY A 69 -12.215 1.720 6.486 1.00 0.00 C ATOM 954 O GLY A 69 -11.827 2.642 5.767 1.00 0.00 O ATOM 0 H GLY A 69 -14.073 2.827 5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.129 1.478 7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.694 0.184 6.312 1.00 0.00 H new ATOM 958 N THR A 70 -11.413 1.074 7.327 1.00 0.00 N ATOM 959 CA THR A 70 -10.003 1.419 7.457 1.00 0.00 C ATOM 960 C THR A 70 -9.112 0.232 7.109 1.00 0.00 C ATOM 961 O THR A 70 -9.197 -0.825 7.735 1.00 0.00 O ATOM 962 CB THR A 70 -9.670 1.895 8.883 1.00 0.00 C ATOM 963 OG1 THR A 70 -10.511 1.230 9.831 1.00 0.00 O ATOM 964 CG2 THR A 70 -9.850 3.401 9.007 1.00 0.00 C ATOM 0 H THR A 70 -11.717 0.308 7.929 1.00 0.00 H new ATOM 0 HA THR A 70 -9.811 2.232 6.757 1.00 0.00 H new ATOM 0 HB THR A 70 -8.628 1.651 9.089 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.291 1.537 10.735 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.609 3.714 10.023 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.186 3.906 8.305 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.884 3.664 8.782 1.00 0.00 H new ATOM 972 N TYR A 71 -8.259 0.412 6.107 1.00 0.00 N ATOM 973 CA TYR A 71 -7.353 -0.645 5.674 1.00 0.00 C ATOM 974 C TYR A 71 -5.901 -0.261 5.939 1.00 0.00 C ATOM 975 O TYR A 71 -5.476 0.854 5.635 1.00 0.00 O ATOM 976 CB TYR A 71 -7.551 -0.938 4.186 1.00 0.00 C ATOM 977 CG TYR A 71 -8.953 -1.388 3.839 1.00 0.00 C ATOM 978 CD1 TYR A 71 -9.995 -0.473 3.754 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.235 -2.726 3.598 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.278 -0.878 3.438 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.514 -3.141 3.280 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.531 -2.213 3.201 1.00 0.00 C ATOM 983 OH TYR A 71 -12.807 -2.622 2.886 1.00 0.00 O ATOM 0 H TYR A 71 -8.176 1.281 5.579 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.583 -1.543 6.248 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.314 -0.042 3.613 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.844 -1.709 3.879 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.799 0.573 3.938 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.441 -3.455 3.660 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.077 -0.154 3.377 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.716 -4.186 3.094 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.764 -3.414 2.310 1.00 0.00 H new ATOM 993 N VAL A 72 -5.143 -1.192 6.509 1.00 0.00 N ATOM 994 CA VAL A 72 -3.737 -0.954 6.814 1.00 0.00 C ATOM 995 C VAL A 72 -2.839 -1.936 6.070 1.00 0.00 C ATOM 996 O VAL A 72 -2.841 -3.134 6.354 1.00 0.00 O ATOM 997 CB VAL A 72 -3.464 -1.069 8.325 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.064 -0.572 8.654 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.511 -0.299 9.116 1.00 0.00 C ATOM 0 H VAL A 72 -5.479 -2.119 6.769 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.509 0.061 6.487 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.527 -2.119 8.609 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.889 -0.661 9.726 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.329 -1.171 8.116 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.969 0.472 8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.302 -0.391 10.182 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.482 0.753 8.830 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.500 -0.706 8.903 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.071 -1.420 5.116 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.167 -2.251 4.329 1.00 0.00 C ATOM 1011 C PHE A 73 0.287 -1.968 4.694 1.00 0.00 C ATOM 1012 O PHE A 73 0.757 -0.835 4.591 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.387 -2.008 2.835 1.00 0.00 C ATOM 1014 CG PHE A 73 -2.812 -2.197 2.400 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.733 -1.171 2.531 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.230 -3.402 1.858 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -5.045 -1.343 2.132 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -4.541 -3.580 1.457 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.449 -2.548 1.593 1.00 0.00 C ATOM 0 H PHE A 73 -2.057 -0.430 4.869 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.383 -3.295 4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.072 -0.994 2.590 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.749 -2.686 2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.422 -0.225 2.950 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.523 -4.211 1.748 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.754 -0.535 2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.855 -4.525 1.038 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.473 -2.684 1.278 1.00 0.00 H new ATOM 1029 N THR A 74 0.997 -3.008 5.122 1.00 0.00 N ATOM 1030 CA THR A 74 2.397 -2.873 5.504 1.00 0.00 C ATOM 1031 C THR A 74 3.320 -3.343 4.386 1.00 0.00 C ATOM 1032 O THR A 74 3.300 -4.513 4.001 1.00 0.00 O ATOM 1033 CB THR A 74 2.710 -3.672 6.783 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.858 -3.242 7.851 1.00 0.00 O ATOM 1035 CG2 THR A 74 4.166 -3.497 7.188 1.00 0.00 C ATOM 0 H THR A 74 0.625 -3.953 5.213 1.00 0.00 H new ATOM 0 HA THR A 74 2.572 -1.814 5.694 1.00 0.00 H new ATOM 0 HB THR A 74 2.530 -4.727 6.578 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.116 -2.339 8.132 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.363 -4.070 8.094 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.812 -3.853 6.385 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.367 -2.442 7.375 1.00 0.00 H new ATOM 1043 N LEU A 75 4.129 -2.426 3.868 1.00 0.00 N ATOM 1044 CA LEU A 75 5.061 -2.748 2.793 1.00 0.00 C ATOM 1045 C LEU A 75 6.433 -3.111 3.352 1.00 0.00 C ATOM 1046 O LEU A 75 7.155 -2.253 3.861 1.00 0.00 O ATOM 1047 CB LEU A 75 5.187 -1.566 1.829 1.00 0.00 C ATOM 1048 CG LEU A 75 6.508 -1.459 1.067 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.682 -2.645 0.132 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.572 -0.152 0.291 1.00 0.00 C ATOM 0 H LEU A 75 4.159 -1.454 4.175 1.00 0.00 H new ATOM 0 HA LEU A 75 4.670 -3.610 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.376 -1.627 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.041 -0.645 2.394 1.00 0.00 H new ATOM 0 HG LEU A 75 7.324 -1.469 1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.628 -2.552 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.682 -3.568 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.861 -2.667 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.519 -0.093 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.748 -0.111 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.494 0.686 0.983 1.00 0.00 H new ATOM 1062 N THR A 76 6.787 -4.388 3.253 1.00 0.00 N ATOM 1063 CA THR A 76 8.073 -4.865 3.747 1.00 0.00 C ATOM 1064 C THR A 76 9.098 -4.951 2.622 1.00 0.00 C ATOM 1065 O THR A 76 8.839 -5.549 1.578 1.00 0.00 O ATOM 1066 CB THR A 76 7.940 -6.248 4.412 1.00 0.00 C ATOM 1067 OG1 THR A 76 6.881 -6.230 5.375 1.00 0.00 O ATOM 1068 CG2 THR A 76 9.242 -6.650 5.090 1.00 0.00 C ATOM 0 H THR A 76 6.201 -5.111 2.835 1.00 0.00 H new ATOM 0 HA THR A 76 8.414 -4.143 4.489 1.00 0.00 H new ATOM 0 HB THR A 76 7.712 -6.979 3.636 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.803 -7.114 5.792 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.124 -7.630 5.553 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.040 -6.692 4.349 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.496 -5.916 5.855 1.00 0.00 H new ATOM 1076 N VAL A 77 10.262 -4.349 2.842 1.00 0.00 N ATOM 1077 CA VAL A 77 11.328 -4.359 1.847 1.00 0.00 C ATOM 1078 C VAL A 77 12.680 -4.642 2.492 1.00 0.00 C ATOM 1079 O VAL A 77 12.904 -4.319 3.658 1.00 0.00 O ATOM 1080 CB VAL A 77 11.402 -3.019 1.091 1.00 0.00 C ATOM 1081 CG1 VAL A 77 10.072 -2.708 0.422 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.809 -1.898 2.035 1.00 0.00 C ATOM 0 H VAL A 77 10.491 -3.848 3.700 1.00 0.00 H new ATOM 0 HA VAL A 77 11.093 -5.154 1.140 1.00 0.00 H new ATOM 0 HB VAL A 77 12.161 -3.102 0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.144 -1.758 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.827 -3.500 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.290 -2.643 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.857 -0.958 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.075 -1.813 2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.788 -2.119 2.461 1.00 0.00 H new ATOM 1092 N LYS A 78 13.580 -5.248 1.724 1.00 0.00 N ATOM 1093 CA LYS A 78 14.912 -5.575 2.219 1.00 0.00 C ATOM 1094 C LYS A 78 15.987 -4.915 1.362 1.00 0.00 C ATOM 1095 O LYS A 78 15.869 -4.856 0.138 1.00 0.00 O ATOM 1096 CB LYS A 78 15.116 -7.091 2.233 1.00 0.00 C ATOM 1097 CG LYS A 78 14.719 -7.746 3.545 1.00 0.00 C ATOM 1098 CD LYS A 78 14.958 -9.247 3.514 1.00 0.00 C ATOM 1099 CE LYS A 78 13.735 -9.995 3.006 1.00 0.00 C ATOM 1100 NZ LYS A 78 13.762 -10.164 1.527 1.00 0.00 N ATOM 0 H LYS A 78 13.411 -5.522 0.756 1.00 0.00 H new ATOM 0 HA LYS A 78 14.998 -5.194 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.535 -7.535 1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.164 -7.310 2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.289 -7.303 4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.666 -7.548 3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.813 -9.467 2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.210 -9.597 4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.685 -10.974 3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.833 -9.454 3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.264 -11.040 1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.292 -9.353 1.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.748 -10.217 1.202 1.00 0.00 H new ATOM 1114 N ASP A 79 17.035 -4.421 2.012 1.00 0.00 N ATOM 1115 CA ASP A 79 18.133 -3.767 1.309 1.00 0.00 C ATOM 1116 C ASP A 79 19.319 -4.713 1.155 1.00 0.00 C ATOM 1117 O ASP A 79 19.312 -5.824 1.684 1.00 0.00 O ATOM 1118 CB ASP A 79 18.565 -2.504 2.056 1.00 0.00 C ATOM 1119 CG ASP A 79 19.220 -2.815 3.387 1.00 0.00 C ATOM 1120 OD1 ASP A 79 19.628 -3.977 3.590 1.00 0.00 O ATOM 1121 OD2 ASP A 79 19.322 -1.896 4.227 1.00 0.00 O ATOM 0 H ASP A 79 17.148 -4.461 3.025 1.00 0.00 H new ATOM 0 HA ASP A 79 17.782 -3.489 0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.260 -1.938 1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.695 -1.868 2.222 1.00 0.00 H new ATOM 1126 N GLU A 80 20.336 -4.265 0.425 1.00 0.00 N ATOM 1127 CA GLU A 80 21.529 -5.074 0.200 1.00 0.00 C ATOM 1128 C GLU A 80 22.047 -5.656 1.512 1.00 0.00 C ATOM 1129 O GLU A 80 22.634 -6.738 1.534 1.00 0.00 O ATOM 1130 CB GLU A 80 22.622 -4.235 -0.466 1.00 0.00 C ATOM 1131 CG GLU A 80 23.821 -5.050 -0.922 1.00 0.00 C ATOM 1132 CD GLU A 80 23.436 -6.182 -1.854 1.00 0.00 C ATOM 1133 OE1 GLU A 80 23.208 -5.911 -3.052 1.00 0.00 O ATOM 1134 OE2 GLU A 80 23.364 -7.338 -1.387 1.00 0.00 O ATOM 0 H GLU A 80 20.358 -3.348 -0.020 1.00 0.00 H new ATOM 0 HA GLU A 80 21.260 -5.898 -0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.197 -3.717 -1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 80 22.958 -3.470 0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 80 24.531 -4.394 -1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 80 24.330 -5.460 -0.050 1.00 0.00 H new ATOM 1141 N ARG A 81 21.826 -4.930 2.603 1.00 0.00 N ATOM 1142 CA ARG A 81 22.271 -5.372 3.918 1.00 0.00 C ATOM 1143 C ARG A 81 21.238 -6.292 4.561 1.00 0.00 C ATOM 1144 O ARG A 81 21.166 -6.402 5.785 1.00 0.00 O ATOM 1145 CB ARG A 81 22.531 -4.167 4.824 1.00 0.00 C ATOM 1146 CG ARG A 81 23.940 -3.609 4.706 1.00 0.00 C ATOM 1147 CD ARG A 81 24.926 -4.400 5.552 1.00 0.00 C ATOM 1148 NE ARG A 81 25.369 -5.619 4.881 1.00 0.00 N ATOM 1149 CZ ARG A 81 25.887 -6.662 5.519 1.00 0.00 C ATOM 1150 NH1 ARG A 81 26.026 -6.636 6.837 1.00 0.00 N ATOM 1151 NH2 ARG A 81 26.267 -7.736 4.838 1.00 0.00 N ATOM 0 H ARG A 81 21.341 -4.033 2.602 1.00 0.00 H new ATOM 0 HA ARG A 81 23.199 -5.929 3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 81 21.816 -3.380 4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.349 -4.456 5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.255 -3.631 3.663 1.00 0.00 H new ATOM 0 HG3 ARG A 81 23.946 -2.565 5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 81 25.791 -3.776 5.779 1.00 0.00 H new ATOM 0 HD3 ARG A 81 24.461 -4.659 6.503 1.00 0.00 H new ATOM 0 HE ARG A 81 25.275 -5.672 3.867 1.00 0.00 H new ATOM 0 HH11 ARG A 81 25.735 -5.813 7.364 1.00 0.00 H new ATOM 0 HH12 ARG A 81 26.424 -7.439 7.324 1.00 0.00 H new ATOM 0 HH21 ARG A 81 26.161 -7.761 3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 81 26.665 -8.537 5.329 1.00 0.00 H new ATOM 1165 N ASN A 82 20.438 -6.950 3.728 1.00 0.00 N ATOM 1166 CA ASN A 82 19.407 -7.859 4.215 1.00 0.00 C ATOM 1167 C ASN A 82 18.692 -7.271 5.428 1.00 0.00 C ATOM 1168 O ASN A 82 18.218 -8.002 6.298 1.00 0.00 O ATOM 1169 CB ASN A 82 20.022 -9.212 4.579 1.00 0.00 C ATOM 1170 CG ASN A 82 20.238 -10.094 3.364 1.00 0.00 C ATOM 1171 OD1 ASN A 82 20.610 -9.614 2.293 1.00 0.00 O ATOM 1172 ND2 ASN A 82 20.004 -11.391 3.525 1.00 0.00 N ATOM 0 H ASN A 82 20.484 -6.870 2.712 1.00 0.00 H new ATOM 0 HA ASN A 82 18.677 -8.001 3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.975 -9.051 5.082 1.00 0.00 H new ATOM 0 HB3 ASN A 82 19.371 -9.726 5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 82 20.131 -12.033 2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 82 19.697 -11.745 4.431 1.00 0.00 H new ATOM 1179 N LEU A 83 18.617 -5.945 5.478 1.00 0.00 N ATOM 1180 CA LEU A 83 17.959 -5.258 6.584 1.00 0.00 C ATOM 1181 C LEU A 83 16.443 -5.300 6.426 1.00 0.00 C ATOM 1182 O LEU A 83 15.915 -5.045 5.343 1.00 0.00 O ATOM 1183 CB LEU A 83 18.435 -3.806 6.662 1.00 0.00 C ATOM 1184 CG LEU A 83 19.747 -3.569 7.410 1.00 0.00 C ATOM 1185 CD1 LEU A 83 20.246 -2.151 7.178 1.00 0.00 C ATOM 1186 CD2 LEU A 83 19.570 -3.837 8.897 1.00 0.00 C ATOM 0 H LEU A 83 19.003 -5.325 4.766 1.00 0.00 H new ATOM 0 HA LEU A 83 18.224 -5.772 7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.545 -3.426 5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.655 -3.214 7.141 1.00 0.00 H new ATOM 0 HG LEU A 83 20.493 -4.263 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.181 -2.001 7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.414 -1.994 6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.502 -1.440 7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.514 -3.663 9.413 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.808 -3.169 9.299 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.260 -4.871 9.046 1.00 0.00 H new ATOM 1198 N GLN A 84 15.748 -5.622 7.512 1.00 0.00 N ATOM 1199 CA GLN A 84 14.292 -5.696 7.494 1.00 0.00 C ATOM 1200 C GLN A 84 13.674 -4.338 7.808 1.00 0.00 C ATOM 1201 O GLN A 84 13.840 -3.809 8.907 1.00 0.00 O ATOM 1202 CB GLN A 84 13.801 -6.738 8.500 1.00 0.00 C ATOM 1203 CG GLN A 84 12.378 -7.209 8.242 1.00 0.00 C ATOM 1204 CD GLN A 84 11.665 -7.632 9.511 1.00 0.00 C ATOM 1205 OE1 GLN A 84 11.675 -6.914 10.512 1.00 0.00 O ATOM 1206 NE2 GLN A 84 11.040 -8.803 9.477 1.00 0.00 N ATOM 0 H GLN A 84 16.170 -5.836 8.416 1.00 0.00 H new ATOM 0 HA GLN A 84 13.981 -5.993 6.493 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.470 -7.598 8.475 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.859 -6.318 9.504 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.815 -6.408 7.763 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.397 -8.046 7.544 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.057 -9.366 8.626 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.543 -9.140 10.301 1.00 0.00 H new ATOM 1215 N SER A 85 12.961 -3.778 6.836 1.00 0.00 N ATOM 1216 CA SER A 85 12.322 -2.479 7.008 1.00 0.00 C ATOM 1217 C SER A 85 10.971 -2.440 6.299 1.00 0.00 C ATOM 1218 O SER A 85 10.878 -2.721 5.104 1.00 0.00 O ATOM 1219 CB SER A 85 13.225 -1.367 6.470 1.00 0.00 C ATOM 1220 OG SER A 85 14.309 -1.121 7.348 1.00 0.00 O ATOM 0 H SER A 85 12.811 -4.204 5.921 1.00 0.00 H new ATOM 0 HA SER A 85 12.159 -2.321 8.074 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.605 -1.646 5.487 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.644 -0.454 6.339 1.00 0.00 H new ATOM 0 HG SER A 85 15.154 -1.281 6.878 1.00 0.00 H new ATOM 1226 N GLN A 86 9.928 -2.091 7.045 1.00 0.00 N ATOM 1227 CA GLN A 86 8.583 -2.016 6.489 1.00 0.00 C ATOM 1228 C GLN A 86 7.834 -0.806 7.037 1.00 0.00 C ATOM 1229 O GLN A 86 8.231 -0.221 8.044 1.00 0.00 O ATOM 1230 CB GLN A 86 7.806 -3.296 6.804 1.00 0.00 C ATOM 1231 CG GLN A 86 7.270 -3.349 8.225 1.00 0.00 C ATOM 1232 CD GLN A 86 6.723 -4.714 8.592 1.00 0.00 C ATOM 1233 OE1 GLN A 86 5.612 -4.832 9.109 1.00 0.00 O ATOM 1234 NE2 GLN A 86 7.502 -5.756 8.326 1.00 0.00 N ATOM 0 H GLN A 86 9.989 -1.856 8.036 1.00 0.00 H new ATOM 0 HA GLN A 86 8.670 -1.908 5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.973 -3.386 6.107 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.455 -4.155 6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.066 -3.082 8.920 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.483 -2.604 8.340 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.416 -5.613 7.897 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.186 -6.699 8.551 1.00 0.00 H new ATOM 1243 N SER A 87 6.747 -0.435 6.366 1.00 0.00 N ATOM 1244 CA SER A 87 5.945 0.709 6.783 1.00 0.00 C ATOM 1245 C SER A 87 4.477 0.502 6.423 1.00 0.00 C ATOM 1246 O SER A 87 4.155 0.004 5.344 1.00 0.00 O ATOM 1247 CB SER A 87 6.467 1.990 6.130 1.00 0.00 C ATOM 1248 OG SER A 87 6.033 3.137 6.840 1.00 0.00 O ATOM 0 H SER A 87 6.402 -0.910 5.532 1.00 0.00 H new ATOM 0 HA SER A 87 6.026 0.804 7.866 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.556 1.968 6.099 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.119 2.044 5.098 1.00 0.00 H new ATOM 0 HG SER A 87 6.381 3.943 6.404 1.00 0.00 H new ATOM 1254 N SER A 88 3.590 0.889 7.335 1.00 0.00 N ATOM 1255 CA SER A 88 2.156 0.743 7.116 1.00 0.00 C ATOM 1256 C SER A 88 1.531 2.074 6.706 1.00 0.00 C ATOM 1257 O SER A 88 2.081 3.141 6.978 1.00 0.00 O ATOM 1258 CB SER A 88 1.477 0.217 8.382 1.00 0.00 C ATOM 1259 OG SER A 88 2.226 -0.836 8.963 1.00 0.00 O ATOM 0 H SER A 88 3.840 1.306 8.232 1.00 0.00 H new ATOM 0 HA SER A 88 2.007 0.027 6.308 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.365 1.028 9.102 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.474 -0.136 8.141 1.00 0.00 H new ATOM 0 HG SER A 88 1.771 -1.154 9.771 1.00 0.00 H new ATOM 1265 N VAL A 89 0.378 2.001 6.048 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.323 3.198 5.601 1.00 0.00 C ATOM 1267 C VAL A 89 -1.809 3.121 5.932 1.00 0.00 C ATOM 1268 O VAL A 89 -2.428 2.064 5.813 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.157 3.412 4.084 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.749 2.242 3.312 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -0.800 4.723 3.658 1.00 0.00 C ATOM 0 H VAL A 89 -0.090 1.126 5.813 1.00 0.00 H new ATOM 0 HA VAL A 89 0.121 4.041 6.131 1.00 0.00 H new ATOM 0 HB VAL A 89 0.908 3.465 3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.623 2.411 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.238 1.322 3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.811 2.154 3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.673 4.858 2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.863 4.702 3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.325 5.550 4.186 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.376 4.248 6.349 1.00 0.00 N ATOM 1282 CA ASN A 90 -3.791 4.308 6.698 1.00 0.00 C ATOM 1283 C ASN A 90 -4.642 4.614 5.469 1.00 0.00 C ATOM 1284 O ASN A 90 -4.535 5.689 4.878 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.027 5.371 7.773 1.00 0.00 C ATOM 1286 CG ASN A 90 -3.710 4.864 9.167 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -4.029 3.726 9.513 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -3.078 5.708 9.974 1.00 0.00 N ATOM 0 H ASN A 90 -1.878 5.132 6.454 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.085 3.334 7.088 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.411 6.244 7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.066 5.697 7.736 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.837 5.423 10.923 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.833 6.642 9.645 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.489 3.662 5.091 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.360 3.829 3.934 1.00 0.00 C ATOM 1297 C VAL A 91 -7.822 3.923 4.356 1.00 0.00 C ATOM 1298 O VAL A 91 -8.447 2.918 4.695 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.199 2.666 2.937 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.167 2.821 1.774 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.764 2.587 2.439 1.00 0.00 C ATOM 0 H VAL A 91 -5.590 2.767 5.569 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.064 4.758 3.447 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.433 1.734 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.038 1.990 1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.190 2.825 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.967 3.760 1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.668 1.760 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.500 3.520 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.094 2.425 3.283 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.362 5.137 4.332 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.751 5.363 4.711 1.00 0.00 C ATOM 1313 C ILE A 92 -10.650 5.442 3.482 1.00 0.00 C ATOM 1314 O ILE A 92 -10.313 6.095 2.494 1.00 0.00 O ATOM 1315 CB ILE A 92 -9.909 6.656 5.533 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.111 6.559 6.835 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.378 6.923 5.823 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.605 7.894 7.334 1.00 0.00 C ATOM 0 H ILE A 92 -7.858 5.979 4.054 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.052 4.514 5.325 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.517 7.490 4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.738 6.107 7.603 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.263 5.892 6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.473 7.840 6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -11.921 7.031 4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -11.794 6.090 6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.049 7.749 8.260 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.951 8.339 6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.450 8.557 7.518 1.00 0.00 H new ATOM 1330 N VAL A 93 -11.798 4.775 3.550 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.748 4.772 2.444 1.00 0.00 C ATOM 1332 C VAL A 93 -14.074 5.398 2.858 1.00 0.00 C ATOM 1333 O VAL A 93 -14.632 5.066 3.904 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.006 3.343 1.930 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -13.974 3.364 0.757 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -11.697 2.674 1.538 1.00 0.00 C ATOM 0 H VAL A 93 -12.093 4.230 4.360 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.304 5.364 1.643 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.459 2.763 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.144 2.346 0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.921 3.802 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.552 3.960 -0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.898 1.665 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.215 3.252 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.039 2.625 2.406 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.576 6.308 2.029 1.00 0.00 N ATOM 1347 CA LYS A 94 -15.839 6.982 2.306 1.00 0.00 C ATOM 1348 C LYS A 94 -16.839 6.750 1.178 1.00 0.00 C ATOM 1349 O LYS A 94 -16.471 6.294 0.096 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.609 8.483 2.498 1.00 0.00 C ATOM 1351 CG LYS A 94 -15.301 8.873 3.933 1.00 0.00 C ATOM 1352 CD LYS A 94 -13.865 8.546 4.304 1.00 0.00 C ATOM 1353 CE LYS A 94 -12.916 9.662 3.896 1.00 0.00 C ATOM 1354 NZ LYS A 94 -12.827 10.723 4.937 1.00 0.00 N ATOM 0 H LYS A 94 -14.127 6.595 1.159 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.251 6.564 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.785 8.800 1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.496 9.023 2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.478 9.940 4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -15.980 8.350 4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.794 8.382 5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.565 7.617 3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.924 9.247 3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.254 10.101 2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.946 11.261 4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.641 11.365 4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.832 10.285 5.880 1.00 0.00 H new ATOM 1368 N GLU A 95 -18.103 7.068 1.438 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.154 6.894 0.442 1.00 0.00 C ATOM 1370 C GLU A 95 -19.269 8.128 -0.449 1.00 0.00 C ATOM 1371 O GLU A 95 -18.640 9.153 -0.190 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.495 6.620 1.127 1.00 0.00 C ATOM 1373 CG GLU A 95 -20.731 5.151 1.436 1.00 0.00 C ATOM 1374 CD GLU A 95 -22.201 4.779 1.416 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.996 5.469 2.087 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -22.555 3.798 0.729 1.00 0.00 O ATOM 0 H GLU A 95 -18.424 7.447 2.329 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.891 6.040 -0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.543 7.190 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.301 6.982 0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.196 4.540 0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -20.315 4.918 2.416 1.00 0.00 H new ATOM 1383 N GLU A 96 -20.076 8.019 -1.499 1.00 0.00 N ATOM 1384 CA GLU A 96 -20.272 9.124 -2.430 1.00 0.00 C ATOM 1385 C GLU A 96 -21.400 10.038 -1.959 1.00 0.00 C ATOM 1386 O GLU A 96 -22.374 9.581 -1.360 1.00 0.00 O ATOM 1387 CB GLU A 96 -20.581 8.593 -3.831 1.00 0.00 C ATOM 1388 CG GLU A 96 -20.677 9.681 -4.887 1.00 0.00 C ATOM 1389 CD GLU A 96 -19.328 10.043 -5.476 1.00 0.00 C ATOM 1390 OE1 GLU A 96 -18.340 10.087 -4.714 1.00 0.00 O ATOM 1391 OE2 GLU A 96 -19.260 10.282 -6.700 1.00 0.00 O ATOM 0 H GLU A 96 -20.605 7.177 -1.726 1.00 0.00 H new ATOM 0 HA GLU A 96 -19.349 9.703 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -19.805 7.884 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -21.521 8.042 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -21.341 9.349 -5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -21.128 10.571 -4.447 1.00 0.00 H new ATOM 1398 N SER A 97 -21.261 11.330 -2.235 1.00 0.00 N ATOM 1399 CA SER A 97 -22.266 12.309 -1.837 1.00 0.00 C ATOM 1400 C SER A 97 -22.889 12.976 -3.060 1.00 0.00 C ATOM 1401 O SER A 97 -22.548 14.107 -3.405 1.00 0.00 O ATOM 1402 CB SER A 97 -21.644 13.369 -0.925 1.00 0.00 C ATOM 1403 OG SER A 97 -22.603 13.891 -0.022 1.00 0.00 O ATOM 0 H SER A 97 -20.462 11.724 -2.733 1.00 0.00 H new ATOM 0 HA SER A 97 -23.051 11.786 -1.291 1.00 0.00 H new ATOM 0 HB2 SER A 97 -20.815 12.933 -0.368 1.00 0.00 H new ATOM 0 HB3 SER A 97 -21.232 14.177 -1.530 1.00 0.00 H new ATOM 0 HG SER A 97 -22.180 14.565 0.550 1.00 0.00 H new ATOM 1409 N GLY A 98 -23.805 12.267 -3.711 1.00 0.00 N ATOM 1410 CA GLY A 98 -24.462 12.805 -4.888 1.00 0.00 C ATOM 1411 C GLY A 98 -23.530 12.896 -6.081 1.00 0.00 C ATOM 1412 O GLY A 98 -22.510 12.211 -6.153 1.00 0.00 O ATOM 0 H GLY A 98 -24.104 11.329 -3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -25.315 12.176 -5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -24.854 13.796 -4.660 1.00 0.00 H new ATOM 1416 N PRO A 99 -23.881 13.759 -7.046 1.00 0.00 N ATOM 1417 CA PRO A 99 -23.083 13.957 -8.259 1.00 0.00 C ATOM 1418 C PRO A 99 -21.760 14.661 -7.975 1.00 0.00 C ATOM 1419 O PRO A 99 -21.695 15.568 -7.145 1.00 0.00 O ATOM 1420 CB PRO A 99 -23.979 14.836 -9.134 1.00 0.00 C ATOM 1421 CG PRO A 99 -24.859 15.556 -8.172 1.00 0.00 C ATOM 1422 CD PRO A 99 -25.084 14.608 -7.027 1.00 0.00 C ATOM 0 HA PRO A 99 -22.807 13.010 -8.724 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -23.390 15.533 -9.729 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -24.563 14.236 -9.832 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -24.390 16.478 -7.829 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -25.803 15.834 -8.640 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -25.187 15.138 -6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -25.992 14.021 -7.164 1.00 0.00 H new ATOM 1430 N SER A 100 -20.709 14.237 -8.669 1.00 0.00 N ATOM 1431 CA SER A 100 -19.387 14.826 -8.488 1.00 0.00 C ATOM 1432 C SER A 100 -18.903 15.483 -9.777 1.00 0.00 C ATOM 1433 O SER A 100 -18.666 14.808 -10.780 1.00 0.00 O ATOM 1434 CB SER A 100 -18.387 13.757 -8.041 1.00 0.00 C ATOM 1435 OG SER A 100 -18.196 12.782 -9.051 1.00 0.00 O ATOM 0 H SER A 100 -20.747 13.489 -9.361 1.00 0.00 H new ATOM 0 HA SER A 100 -19.460 15.592 -7.716 1.00 0.00 H new ATOM 0 HB2 SER A 100 -17.433 14.226 -7.799 1.00 0.00 H new ATOM 0 HB3 SER A 100 -18.746 13.277 -7.131 1.00 0.00 H new ATOM 0 HG SER A 100 -18.382 13.178 -9.928 1.00 0.00 H new ATOM 1441 N SER A 101 -18.760 16.804 -9.743 1.00 0.00 N ATOM 1442 CA SER A 101 -18.308 17.554 -10.909 1.00 0.00 C ATOM 1443 C SER A 101 -17.974 18.994 -10.533 1.00 0.00 C ATOM 1444 O SER A 101 -18.686 19.624 -9.752 1.00 0.00 O ATOM 1445 CB SER A 101 -19.381 17.536 -12.000 1.00 0.00 C ATOM 1446 OG SER A 101 -18.801 17.656 -13.287 1.00 0.00 O ATOM 0 H SER A 101 -18.951 17.377 -8.921 1.00 0.00 H new ATOM 0 HA SER A 101 -17.404 17.077 -11.289 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.950 16.609 -11.939 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.084 18.353 -11.837 1.00 0.00 H new ATOM 0 HG SER A 101 -19.507 17.640 -13.967 1.00 0.00 H new ATOM 1452 N GLY A 102 -16.885 19.509 -11.095 1.00 0.00 N ATOM 1453 CA GLY A 102 -16.474 20.871 -10.807 1.00 0.00 C ATOM 1454 C GLY A 102 -17.114 21.879 -11.740 1.00 0.00 C ATOM 1455 O GLY A 102 -18.268 21.722 -12.138 1.00 0.00 O ATOM 0 H GLY A 102 -16.280 19.007 -11.745 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -16.736 21.116 -9.778 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.389 20.944 -10.886 1.00 0.00 H new TER 1459 GLY A 102