USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 835 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 63 CYS SG : rot 83:sc= 0.283 USER MOD Set 1.2: A 69 THR OG1 : rot -70:sc= 0.169 USER MOD Single : A 1 ALA N :NH3+ -108:sc= 0.0855 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0626 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0896 X(o=-0.09,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.0919 K(o=-0.092,f=-1.3!) USER MOD Single : A 19 LYS NZ :NH3+ -128:sc= 0.347 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -2.02 X(o=-2,f=-2.3) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0721 USER MOD Single : A 47 GLN : amide:sc= -0.0916 X(o=-0.092,f=-0.092) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -108:sc= 0.714 (180deg=0.0592) USER MOD Single : A 56 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HE2:sc= -3.03 K(o=-3,f=-4.4!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= 0.0591 X(o=0.059,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 159:sc= 1.2 (180deg=0.445) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.868 -9.618 -2.065 1.00 0.00 N ATOM 2 CA ALA A 1 12.172 -8.326 -2.112 1.00 0.00 C ATOM 3 C ALA A 1 11.622 -8.062 -3.507 1.00 0.00 C ATOM 4 O ALA A 1 12.034 -8.691 -4.481 1.00 0.00 O ATOM 5 CB ALA A 1 13.097 -7.194 -1.658 1.00 0.00 C ATOM 0 H1 ALA A 1 12.297 -10.300 -1.526 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.008 -9.972 -3.033 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.792 -9.498 -1.603 1.00 0.00 H new ATOM 0 HA ALA A 1 11.329 -8.365 -1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.560 -6.246 -1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.424 -7.380 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.966 -7.149 -2.314 1.00 0.00 H new ATOM 11 N LEU A 2 10.743 -7.063 -3.606 1.00 0.00 N ATOM 12 CA LEU A 2 10.061 -6.578 -4.798 1.00 0.00 C ATOM 13 C LEU A 2 9.346 -7.673 -5.574 1.00 0.00 C ATOM 14 O LEU A 2 9.787 -8.081 -6.647 1.00 0.00 O ATOM 15 CB LEU A 2 10.989 -5.755 -5.713 1.00 0.00 C ATOM 16 CG LEU A 2 11.556 -4.464 -5.108 1.00 0.00 C ATOM 17 CD1 LEU A 2 12.218 -3.627 -6.207 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.460 -3.666 -4.400 1.00 0.00 C ATOM 0 H LEU A 2 10.470 -6.530 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 2 9.285 -5.907 -4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.823 -6.388 -6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.439 -5.498 -6.618 1.00 0.00 H new ATOM 0 HG LEU A 2 12.307 -4.725 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.620 -2.711 -5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.027 -4.198 -6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.479 -3.375 -6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.887 -2.755 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.680 -3.404 -5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.031 -4.269 -3.600 1.00 0.00 H new ATOM 30 N THR A 3 8.191 -8.088 -5.066 1.00 0.00 N ATOM 31 CA THR A 3 7.366 -9.111 -5.683 1.00 0.00 C ATOM 32 C THR A 3 5.910 -8.649 -5.663 1.00 0.00 C ATOM 33 O THR A 3 5.477 -7.929 -4.756 1.00 0.00 O ATOM 34 CB THR A 3 7.603 -10.442 -4.952 1.00 0.00 C ATOM 35 OG1 THR A 3 8.872 -10.941 -5.315 1.00 0.00 O ATOM 36 CG2 THR A 3 6.543 -11.506 -5.224 1.00 0.00 C ATOM 0 H THR A 3 7.799 -7.716 -4.201 1.00 0.00 H new ATOM 0 HA THR A 3 7.630 -9.272 -6.728 1.00 0.00 H new ATOM 0 HB THR A 3 7.544 -10.226 -3.885 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.034 -11.790 -4.853 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.787 -12.412 -4.670 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.568 -11.138 -4.906 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.517 -11.729 -6.291 1.00 0.00 H new ATOM 44 N THR A 4 5.170 -9.054 -6.690 1.00 0.00 N ATOM 45 CA THR A 4 3.758 -8.767 -6.881 1.00 0.00 C ATOM 46 C THR A 4 2.998 -9.865 -6.140 1.00 0.00 C ATOM 47 O THR A 4 2.832 -10.973 -6.663 1.00 0.00 O ATOM 48 CB THR A 4 3.422 -8.699 -8.381 1.00 0.00 C ATOM 49 OG1 THR A 4 4.181 -9.633 -9.126 1.00 0.00 O ATOM 50 CG2 THR A 4 3.743 -7.314 -8.949 1.00 0.00 C ATOM 0 H THR A 4 5.560 -9.618 -7.446 1.00 0.00 H new ATOM 0 HA THR A 4 3.473 -7.794 -6.481 1.00 0.00 H new ATOM 0 HB THR A 4 2.358 -8.920 -8.467 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.943 -9.566 -10.074 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.497 -7.290 -10.011 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.156 -6.560 -8.424 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.804 -7.104 -8.818 1.00 0.00 H new ATOM 58 N ILE A 5 2.618 -9.614 -4.896 1.00 0.00 N ATOM 59 CA ILE A 5 1.899 -10.561 -4.054 1.00 0.00 C ATOM 60 C ILE A 5 0.429 -10.569 -4.451 1.00 0.00 C ATOM 61 O ILE A 5 -0.208 -9.501 -4.548 1.00 0.00 O ATOM 62 CB ILE A 5 2.133 -10.260 -2.555 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.126 -10.999 -1.650 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.152 -8.749 -2.238 1.00 0.00 C ATOM 65 CD1 ILE A 5 1.626 -11.124 -0.210 1.00 0.00 C ATOM 0 H ILE A 5 2.805 -8.725 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 5 2.284 -11.569 -4.211 1.00 0.00 H new ATOM 0 HB ILE A 5 3.129 -10.643 -2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.175 -10.467 -1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.938 -11.993 -2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.320 -8.603 -1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.953 -8.269 -2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.196 -8.306 -2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.883 -11.651 0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.563 -11.680 -0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.788 -10.130 0.206 1.00 0.00 H new ATOM 77 N SER A 6 -0.104 -11.762 -4.665 1.00 0.00 N ATOM 78 CA SER A 6 -1.486 -11.978 -5.033 1.00 0.00 C ATOM 79 C SER A 6 -2.394 -11.447 -3.923 1.00 0.00 C ATOM 80 O SER A 6 -1.984 -11.359 -2.754 1.00 0.00 O ATOM 81 CB SER A 6 -1.728 -13.480 -5.209 1.00 0.00 C ATOM 82 OG SER A 6 -1.216 -13.946 -6.443 1.00 0.00 O ATOM 0 H SER A 6 0.431 -12.627 -4.584 1.00 0.00 H new ATOM 0 HA SER A 6 -1.705 -11.457 -5.965 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.258 -14.024 -4.390 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.797 -13.686 -5.156 1.00 0.00 H new ATOM 0 HG SER A 6 -1.384 -14.908 -6.525 1.00 0.00 H new ATOM 88 N PRO A 7 -3.625 -11.055 -4.262 1.00 0.00 N ATOM 89 CA PRO A 7 -4.555 -10.576 -3.268 1.00 0.00 C ATOM 90 C PRO A 7 -4.940 -11.756 -2.376 1.00 0.00 C ATOM 91 O PRO A 7 -4.671 -12.917 -2.701 1.00 0.00 O ATOM 92 CB PRO A 7 -5.711 -9.980 -4.056 1.00 0.00 C ATOM 93 CG PRO A 7 -5.705 -10.765 -5.361 1.00 0.00 C ATOM 94 CD PRO A 7 -4.234 -11.092 -5.579 1.00 0.00 C ATOM 0 HA PRO A 7 -4.160 -9.812 -2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.657 -10.093 -3.526 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.568 -8.913 -4.230 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.309 -11.669 -5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.111 -10.177 -6.184 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.115 -12.073 -6.038 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.767 -10.369 -6.247 1.00 0.00 H new ATOM 102 N HIS A 8 -5.580 -11.452 -1.248 1.00 0.00 N ATOM 103 CA HIS A 8 -6.025 -12.406 -0.236 1.00 0.00 C ATOM 104 C HIS A 8 -4.833 -12.895 0.595 1.00 0.00 C ATOM 105 O HIS A 8 -4.951 -12.937 1.816 1.00 0.00 O ATOM 106 CB HIS A 8 -6.849 -13.558 -0.840 1.00 0.00 C ATOM 107 CG HIS A 8 -7.641 -14.336 0.170 1.00 0.00 C ATOM 108 ND1 HIS A 8 -9.013 -14.375 0.257 1.00 0.00 N ATOM 109 CD2 HIS A 8 -7.133 -15.219 1.084 1.00 0.00 C ATOM 110 CE1 HIS A 8 -9.326 -15.264 1.208 1.00 0.00 C ATOM 111 NE2 HIS A 8 -8.216 -15.809 1.746 1.00 0.00 N ATOM 0 H HIS A 8 -5.813 -10.489 -1.004 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.706 -11.891 0.441 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.531 -13.151 -1.586 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.176 -14.239 -1.361 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.088 -15.423 1.262 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.334 -15.512 1.505 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -8.174 -16.510 2.486 1.00 0.00 H new ATOM 119 N ASP A 9 -3.673 -13.202 0.002 1.00 0.00 N ATOM 120 CA ASP A 9 -2.501 -13.661 0.756 1.00 0.00 C ATOM 121 C ASP A 9 -2.051 -12.558 1.696 1.00 0.00 C ATOM 122 O ASP A 9 -2.032 -12.734 2.916 1.00 0.00 O ATOM 123 CB ASP A 9 -1.351 -14.082 -0.170 1.00 0.00 C ATOM 124 CG ASP A 9 -1.434 -15.586 -0.412 1.00 0.00 C ATOM 125 OD1 ASP A 9 -2.403 -16.043 -1.050 1.00 0.00 O ATOM 126 OD2 ASP A 9 -0.568 -16.315 0.131 1.00 0.00 O ATOM 0 H ASP A 9 -3.521 -13.140 -1.005 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.785 -14.543 1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.413 -13.544 -1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.392 -13.825 0.280 1.00 0.00 H new ATOM 131 N ALA A 10 -1.797 -11.381 1.124 1.00 0.00 N ATOM 132 CA ALA A 10 -1.348 -10.219 1.866 1.00 0.00 C ATOM 133 C ALA A 10 -2.301 -9.771 2.961 1.00 0.00 C ATOM 134 O ALA A 10 -1.881 -9.002 3.818 1.00 0.00 O ATOM 135 CB ALA A 10 -1.113 -9.057 0.912 1.00 0.00 C ATOM 0 H ALA A 10 -1.900 -11.213 0.123 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.425 -10.522 2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.776 -8.187 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.353 -9.334 0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.042 -8.817 0.395 1.00 0.00 H new ATOM 141 N GLN A 11 -3.573 -10.167 2.931 1.00 0.00 N ATOM 142 CA GLN A 11 -4.515 -9.780 3.960 1.00 0.00 C ATOM 143 C GLN A 11 -4.086 -10.339 5.317 1.00 0.00 C ATOM 144 O GLN A 11 -4.446 -9.767 6.344 1.00 0.00 O ATOM 145 CB GLN A 11 -5.896 -10.305 3.551 1.00 0.00 C ATOM 146 CG GLN A 11 -6.979 -9.973 4.577 1.00 0.00 C ATOM 147 CD GLN A 11 -7.306 -11.088 5.577 1.00 0.00 C ATOM 148 OE1 GLN A 11 -6.819 -12.213 5.509 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.166 -10.805 6.539 1.00 0.00 N ATOM 0 H GLN A 11 -3.968 -10.758 2.199 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.549 -8.695 4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.172 -9.879 2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.845 -11.386 3.419 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.668 -9.089 5.134 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.892 -9.709 4.043 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.574 -9.872 6.600 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.422 -11.519 7.220 1.00 0.00 H new ATOM 158 N GLU A 12 -3.337 -11.441 5.323 1.00 0.00 N ATOM 159 CA GLU A 12 -2.877 -12.082 6.519 1.00 0.00 C ATOM 160 C GLU A 12 -1.783 -11.217 7.130 1.00 0.00 C ATOM 161 O GLU A 12 -1.976 -10.668 8.207 1.00 0.00 O ATOM 162 CB GLU A 12 -2.431 -13.521 6.192 1.00 0.00 C ATOM 163 CG GLU A 12 -1.941 -14.165 7.486 1.00 0.00 C ATOM 164 CD GLU A 12 -1.876 -15.698 7.486 1.00 0.00 C ATOM 165 OE1 GLU A 12 -2.402 -16.297 8.454 1.00 0.00 O ATOM 166 OE2 GLU A 12 -1.180 -16.296 6.632 1.00 0.00 O ATOM 0 H GLU A 12 -3.035 -11.911 4.469 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.668 -12.177 7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.260 -14.091 5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.637 -13.514 5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.947 -13.778 7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.595 -13.848 8.298 1.00 0.00 H new ATOM 173 N LEU A 13 -0.652 -11.046 6.438 1.00 0.00 N ATOM 174 CA LEU A 13 0.479 -10.262 6.927 1.00 0.00 C ATOM 175 C LEU A 13 0.089 -8.847 7.363 1.00 0.00 C ATOM 176 O LEU A 13 0.531 -8.376 8.413 1.00 0.00 O ATOM 177 CB LEU A 13 1.660 -10.324 5.938 1.00 0.00 C ATOM 178 CG LEU A 13 1.329 -9.970 4.476 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.404 -8.486 4.130 1.00 0.00 C ATOM 180 CD2 LEU A 13 2.245 -10.714 3.508 1.00 0.00 C ATOM 0 H LEU A 13 -0.498 -11.453 5.515 1.00 0.00 H new ATOM 0 HA LEU A 13 0.830 -10.725 7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.439 -9.647 6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.078 -11.330 5.963 1.00 0.00 H new ATOM 0 HG LEU A 13 0.289 -10.277 4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.154 -8.344 3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.698 -7.932 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.414 -8.120 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.988 -10.444 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.282 -10.441 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.121 -11.789 3.642 1.00 0.00 H new ATOM 192 N ILE A 14 -0.792 -8.172 6.627 1.00 0.00 N ATOM 193 CA ILE A 14 -1.237 -6.823 6.967 1.00 0.00 C ATOM 194 C ILE A 14 -1.992 -6.848 8.303 1.00 0.00 C ATOM 195 O ILE A 14 -1.776 -5.990 9.168 1.00 0.00 O ATOM 196 CB ILE A 14 -2.030 -6.263 5.762 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.257 -5.118 5.074 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.509 -5.975 6.051 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.509 -5.119 3.564 1.00 0.00 C ATOM 0 H ILE A 14 -1.217 -8.545 5.778 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.407 -6.137 7.134 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.100 -7.064 5.026 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.563 -4.161 5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.190 -5.226 5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.986 -5.586 5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.006 -6.896 6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.587 -5.238 6.851 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.953 -4.303 3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.179 -6.068 3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.574 -4.987 3.373 1.00 0.00 H new ATOM 211 N ALA A 15 -2.856 -7.850 8.503 1.00 0.00 N ATOM 212 CA ALA A 15 -3.639 -8.022 9.717 1.00 0.00 C ATOM 213 C ALA A 15 -2.776 -8.506 10.886 1.00 0.00 C ATOM 214 O ALA A 15 -3.287 -8.686 11.992 1.00 0.00 O ATOM 215 CB ALA A 15 -4.778 -9.005 9.449 1.00 0.00 C ATOM 0 H ALA A 15 -3.029 -8.575 7.807 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.050 -7.053 10.001 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.367 -9.136 10.357 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.416 -8.615 8.656 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.365 -9.966 9.143 1.00 0.00 H new ATOM 221 N ARG A 16 -1.478 -8.722 10.667 1.00 0.00 N ATOM 222 CA ARG A 16 -0.524 -9.172 11.671 1.00 0.00 C ATOM 223 C ARG A 16 0.361 -7.995 12.048 1.00 0.00 C ATOM 224 O ARG A 16 0.569 -7.745 13.236 1.00 0.00 O ATOM 225 CB ARG A 16 0.289 -10.347 11.129 1.00 0.00 C ATOM 226 CG ARG A 16 -0.605 -11.519 10.689 1.00 0.00 C ATOM 227 CD ARG A 16 -0.596 -12.667 11.690 1.00 0.00 C ATOM 228 NE ARG A 16 -0.995 -13.932 11.060 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.894 -15.124 11.647 1.00 0.00 C ATOM 230 NH1 ARG A 16 -0.461 -15.215 12.901 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.268 -16.224 11.000 1.00 0.00 N ATOM 0 H ARG A 16 -1.051 -8.582 9.751 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.039 -9.525 12.564 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.888 -10.012 10.283 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.984 -10.690 11.896 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.627 -11.163 10.558 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.268 -11.884 9.719 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.401 -12.771 12.118 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.274 -12.439 12.513 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.373 -13.896 10.113 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.206 -14.372 13.415 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.384 -16.128 13.349 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.634 -16.157 10.050 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.189 -17.134 11.453 1.00 0.00 H new ATOM 245 N GLY A 17 0.884 -7.261 11.065 1.00 0.00 N ATOM 246 CA GLY A 17 1.732 -6.110 11.325 1.00 0.00 C ATOM 247 C GLY A 17 2.355 -5.469 10.091 1.00 0.00 C ATOM 248 O GLY A 17 2.798 -4.326 10.212 1.00 0.00 O ATOM 0 H GLY A 17 0.730 -7.450 10.075 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.143 -5.356 11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.532 -6.414 12.000 1.00 0.00 H new ATOM 252 N ALA A 18 2.372 -6.133 8.926 1.00 0.00 N ATOM 253 CA ALA A 18 2.959 -5.569 7.714 1.00 0.00 C ATOM 254 C ALA A 18 2.279 -4.249 7.348 1.00 0.00 C ATOM 255 O ALA A 18 1.071 -4.090 7.560 1.00 0.00 O ATOM 256 CB ALA A 18 2.842 -6.538 6.545 1.00 0.00 C ATOM 0 H ALA A 18 1.982 -7.067 8.803 1.00 0.00 H new ATOM 0 HA ALA A 18 4.014 -5.387 7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.287 -6.091 5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.364 -7.464 6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.791 -6.753 6.355 1.00 0.00 H new ATOM 262 N LYS A 19 3.039 -3.296 6.806 1.00 0.00 N ATOM 263 CA LYS A 19 2.519 -1.975 6.426 1.00 0.00 C ATOM 264 C LYS A 19 2.360 -1.864 4.915 1.00 0.00 C ATOM 265 O LYS A 19 2.923 -2.657 4.170 1.00 0.00 O ATOM 266 CB LYS A 19 3.428 -0.872 7.008 1.00 0.00 C ATOM 267 CG LYS A 19 2.845 -0.308 8.316 1.00 0.00 C ATOM 268 CD LYS A 19 2.598 -1.348 9.407 1.00 0.00 C ATOM 269 CE LYS A 19 1.571 -0.853 10.409 1.00 0.00 C ATOM 270 NZ LYS A 19 1.287 -1.898 11.410 1.00 0.00 N ATOM 0 H LYS A 19 4.034 -3.415 6.617 1.00 0.00 H new ATOM 0 HA LYS A 19 1.523 -1.843 6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.423 -1.277 7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.542 -0.068 6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.525 0.450 8.704 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.904 0.193 8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.252 -2.278 8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.533 -1.571 9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.940 0.045 10.905 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.652 -0.576 9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.260 -2.049 11.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.751 -2.785 11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.649 -1.598 12.338 1.00 0.00 H new ATOM 284 N LEU A 20 1.629 -0.857 4.454 1.00 0.00 N ATOM 285 CA LEU A 20 1.352 -0.542 3.062 1.00 0.00 C ATOM 286 C LEU A 20 1.451 0.988 2.954 1.00 0.00 C ATOM 287 O LEU A 20 0.989 1.682 3.865 1.00 0.00 O ATOM 288 CB LEU A 20 -0.012 -1.154 2.721 1.00 0.00 C ATOM 289 CG LEU A 20 -0.517 -0.925 1.292 1.00 0.00 C ATOM 290 CD1 LEU A 20 0.408 -1.447 0.201 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.841 -1.666 1.132 1.00 0.00 C ATOM 0 H LEU A 20 1.184 -0.194 5.089 1.00 0.00 H new ATOM 0 HA LEU A 20 2.048 -0.958 2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.040 -2.228 2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.751 -0.752 3.414 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.593 0.155 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.029 -1.241 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.376 -0.951 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.541 -2.522 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.221 -1.518 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.686 -2.730 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.563 -1.280 1.851 1.00 0.00 H new ATOM 303 N ILE A 21 2.017 1.532 1.868 1.00 0.00 N ATOM 304 CA ILE A 21 2.205 2.981 1.685 1.00 0.00 C ATOM 305 C ILE A 21 1.408 3.541 0.508 1.00 0.00 C ATOM 306 O ILE A 21 1.569 3.075 -0.626 1.00 0.00 O ATOM 307 CB ILE A 21 3.709 3.305 1.489 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.686 2.485 2.354 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.975 4.797 1.723 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.517 2.650 3.866 1.00 0.00 C ATOM 0 H ILE A 21 2.360 0.976 1.085 1.00 0.00 H new ATOM 0 HA ILE A 21 1.830 3.459 2.590 1.00 0.00 H new ATOM 0 HB ILE A 21 3.909 3.020 0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.569 1.430 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.705 2.764 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.036 5.004 1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.392 5.386 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.687 5.063 2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.251 2.032 4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.667 3.695 4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.513 2.340 4.156 1.00 0.00 H new ATOM 322 N ASP A 22 0.634 4.593 0.788 1.00 0.00 N ATOM 323 CA ASP A 22 -0.229 5.322 -0.140 1.00 0.00 C ATOM 324 C ASP A 22 0.557 6.327 -0.993 1.00 0.00 C ATOM 325 O ASP A 22 0.378 7.547 -0.882 1.00 0.00 O ATOM 326 CB ASP A 22 -1.289 6.100 0.652 1.00 0.00 C ATOM 327 CG ASP A 22 -2.407 5.277 1.258 1.00 0.00 C ATOM 328 OD1 ASP A 22 -2.416 5.152 2.498 1.00 0.00 O ATOM 329 OD2 ASP A 22 -3.386 4.972 0.535 1.00 0.00 O ATOM 0 H ASP A 22 0.592 4.982 1.730 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.686 4.586 -0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.788 6.642 1.454 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.731 6.846 -0.008 1.00 0.00 H new ATOM 334 N ILE A 23 1.414 5.852 -1.892 1.00 0.00 N ATOM 335 CA ILE A 23 2.206 6.716 -2.777 1.00 0.00 C ATOM 336 C ILE A 23 1.344 7.153 -3.987 1.00 0.00 C ATOM 337 O ILE A 23 1.722 7.000 -5.155 1.00 0.00 O ATOM 338 CB ILE A 23 3.499 5.983 -3.182 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.205 4.668 -3.931 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.396 5.659 -1.976 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.238 4.423 -5.011 1.00 0.00 C ATOM 0 H ILE A 23 1.583 4.856 -2.032 1.00 0.00 H new ATOM 0 HA ILE A 23 2.505 7.629 -2.262 1.00 0.00 H new ATOM 0 HB ILE A 23 4.024 6.674 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.203 3.836 -3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.211 4.712 -4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.293 5.143 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.679 6.584 -1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.853 5.020 -1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.011 3.490 -5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.220 5.246 -5.725 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.228 4.356 -4.559 1.00 0.00 H new ATOM 353 N ARG A 24 0.149 7.677 -3.720 1.00 0.00 N ATOM 354 CA ARG A 24 -0.837 8.101 -4.715 1.00 0.00 C ATOM 355 C ARG A 24 -1.209 9.568 -4.534 1.00 0.00 C ATOM 356 O ARG A 24 -0.460 10.428 -5.013 1.00 0.00 O ATOM 357 CB ARG A 24 -2.031 7.103 -4.739 1.00 0.00 C ATOM 358 CG ARG A 24 -2.242 6.347 -3.410 1.00 0.00 C ATOM 359 CD ARG A 24 -3.599 5.618 -3.283 1.00 0.00 C ATOM 360 NE ARG A 24 -4.341 6.047 -2.086 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.458 5.556 -1.521 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.114 4.501 -2.000 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.943 6.178 -0.453 1.00 0.00 N ATOM 0 H ARG A 24 -0.173 7.824 -2.764 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.406 8.061 -5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.942 7.648 -4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.869 6.378 -5.536 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.442 5.616 -3.294 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.149 7.056 -2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.200 5.811 -4.172 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.431 4.542 -3.240 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.940 6.852 -1.604 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.773 4.024 -2.835 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.957 4.169 -1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.470 7.003 -0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.789 5.831 -0.001 1.00 0.00 H new ATOM 377 N ASP A 25 -2.332 9.880 -3.883 1.00 0.00 N ATOM 378 CA ASP A 25 -2.766 11.260 -3.686 1.00 0.00 C ATOM 379 C ASP A 25 -3.674 11.376 -2.463 1.00 0.00 C ATOM 380 O ASP A 25 -4.129 10.363 -1.931 1.00 0.00 O ATOM 381 CB ASP A 25 -3.490 11.758 -4.948 1.00 0.00 C ATOM 382 CG ASP A 25 -3.176 13.232 -5.191 1.00 0.00 C ATOM 383 OD1 ASP A 25 -2.822 13.595 -6.336 1.00 0.00 O ATOM 384 OD2 ASP A 25 -3.114 14.000 -4.208 1.00 0.00 O ATOM 0 H ASP A 25 -2.961 9.185 -3.481 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.889 11.883 -3.509 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.182 11.166 -5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.566 11.622 -4.836 1.00 0.00 H new ATOM 389 N ALA A 26 -3.925 12.597 -1.990 1.00 0.00 N ATOM 390 CA ALA A 26 -4.746 12.892 -0.823 1.00 0.00 C ATOM 391 C ALA A 26 -6.248 12.831 -1.106 1.00 0.00 C ATOM 392 O ALA A 26 -7.039 12.635 -0.180 1.00 0.00 O ATOM 393 CB ALA A 26 -4.368 14.284 -0.309 1.00 0.00 C ATOM 0 H ALA A 26 -3.546 13.437 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.548 12.125 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.972 14.525 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.313 14.297 -0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.550 15.022 -1.090 1.00 0.00 H new ATOM 399 N ASP A 27 -6.673 12.990 -2.360 1.00 0.00 N ATOM 400 CA ASP A 27 -8.096 12.941 -2.701 1.00 0.00 C ATOM 401 C ASP A 27 -8.595 11.503 -2.815 1.00 0.00 C ATOM 402 O ASP A 27 -9.802 11.278 -2.737 1.00 0.00 O ATOM 403 CB ASP A 27 -8.394 13.772 -3.959 1.00 0.00 C ATOM 404 CG ASP A 27 -8.667 15.248 -3.636 1.00 0.00 C ATOM 405 OD1 ASP A 27 -9.206 15.938 -4.536 1.00 0.00 O ATOM 406 OD2 ASP A 27 -8.342 15.719 -2.521 1.00 0.00 O ATOM 0 H ASP A 27 -6.055 13.153 -3.155 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.655 13.397 -1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.549 13.703 -4.645 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.257 13.350 -4.473 1.00 0.00 H new ATOM 411 N GLU A 28 -7.695 10.525 -2.964 1.00 0.00 N ATOM 412 CA GLU A 28 -8.055 9.112 -3.063 1.00 0.00 C ATOM 413 C GLU A 28 -8.576 8.640 -1.704 1.00 0.00 C ATOM 414 O GLU A 28 -9.643 8.031 -1.631 1.00 0.00 O ATOM 415 CB GLU A 28 -6.833 8.265 -3.463 1.00 0.00 C ATOM 416 CG GLU A 28 -6.226 8.624 -4.824 1.00 0.00 C ATOM 417 CD GLU A 28 -7.207 8.440 -5.983 1.00 0.00 C ATOM 418 OE1 GLU A 28 -7.503 9.435 -6.688 1.00 0.00 O ATOM 419 OE2 GLU A 28 -7.644 7.297 -6.251 1.00 0.00 O ATOM 0 H GLU A 28 -6.691 10.696 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.823 8.993 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.065 8.374 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.124 7.215 -3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.887 9.660 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.346 8.005 -4.998 1.00 0.00 H new ATOM 426 N TYR A 29 -7.831 8.971 -0.639 1.00 0.00 N ATOM 427 CA TYR A 29 -8.134 8.615 0.747 1.00 0.00 C ATOM 428 C TYR A 29 -9.469 9.219 1.253 1.00 0.00 C ATOM 429 O TYR A 29 -9.995 8.863 2.312 1.00 0.00 O ATOM 430 CB TYR A 29 -6.951 9.014 1.646 1.00 0.00 C ATOM 431 CG TYR A 29 -7.167 8.736 3.123 1.00 0.00 C ATOM 432 CD1 TYR A 29 -7.661 7.485 3.550 1.00 0.00 C ATOM 433 CD2 TYR A 29 -6.966 9.760 4.065 1.00 0.00 C ATOM 434 CE1 TYR A 29 -8.035 7.287 4.889 1.00 0.00 C ATOM 435 CE2 TYR A 29 -7.318 9.562 5.408 1.00 0.00 C ATOM 436 CZ TYR A 29 -7.884 8.338 5.816 1.00 0.00 C ATOM 437 OH TYR A 29 -8.278 8.182 7.106 1.00 0.00 O ATOM 0 H TYR A 29 -6.971 9.513 -0.727 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.273 7.535 0.792 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.061 8.479 1.314 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.752 10.077 1.514 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.752 6.674 2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.539 10.702 3.754 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.436 6.336 5.206 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.155 10.348 6.130 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.099 9.006 7.605 1.00 0.00 H new ATOM 447 N LEU A 30 -10.021 10.192 0.526 1.00 0.00 N ATOM 448 CA LEU A 30 -11.268 10.831 0.883 1.00 0.00 C ATOM 449 C LEU A 30 -12.418 9.854 0.634 1.00 0.00 C ATOM 450 O LEU A 30 -13.189 9.536 1.542 1.00 0.00 O ATOM 451 CB LEU A 30 -11.382 12.129 0.070 1.00 0.00 C ATOM 452 CG LEU A 30 -12.420 13.096 0.650 1.00 0.00 C ATOM 453 CD1 LEU A 30 -12.094 14.509 0.162 1.00 0.00 C ATOM 454 CD2 LEU A 30 -13.861 12.743 0.259 1.00 0.00 C ATOM 0 H LEU A 30 -9.604 10.554 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.309 11.096 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.410 12.621 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.650 11.887 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.364 13.025 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.824 15.211 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.096 14.789 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.130 14.535 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.546 13.466 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.960 12.767 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.103 11.744 0.623 1.00 0.00 H new ATOM 466 N ARG A 31 -12.569 9.392 -0.610 1.00 0.00 N ATOM 467 CA ARG A 31 -13.641 8.468 -0.959 1.00 0.00 C ATOM 468 C ARG A 31 -13.341 7.051 -0.515 1.00 0.00 C ATOM 469 O ARG A 31 -14.235 6.409 0.039 1.00 0.00 O ATOM 470 CB ARG A 31 -13.885 8.460 -2.472 1.00 0.00 C ATOM 471 CG ARG A 31 -14.710 9.671 -2.919 1.00 0.00 C ATOM 472 CD ARG A 31 -15.113 9.519 -4.389 1.00 0.00 C ATOM 473 NE ARG A 31 -16.455 10.062 -4.641 1.00 0.00 N ATOM 474 CZ ARG A 31 -17.278 9.680 -5.623 1.00 0.00 C ATOM 475 NH1 ARG A 31 -16.899 8.797 -6.543 1.00 0.00 N ATOM 476 NH2 ARG A 31 -18.504 10.179 -5.678 1.00 0.00 N ATOM 0 H ARG A 31 -11.961 9.645 -1.389 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.530 8.820 -0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.929 8.458 -2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.403 7.543 -2.752 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.601 9.764 -2.297 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.131 10.585 -2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -14.388 10.032 -5.021 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.088 8.465 -4.667 1.00 0.00 H new ATOM 0 HE ARG A 31 -16.787 10.793 -4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -15.962 8.395 -6.509 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -17.545 8.522 -7.282 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.814 10.849 -4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.138 9.893 -6.424 1.00 0.00 H new ATOM 490 N GLU A 32 -12.135 6.552 -0.750 1.00 0.00 N ATOM 491 CA GLU A 32 -11.753 5.192 -0.406 1.00 0.00 C ATOM 492 C GLU A 32 -10.478 5.197 0.429 1.00 0.00 C ATOM 493 O GLU A 32 -10.038 6.234 0.890 1.00 0.00 O ATOM 494 CB GLU A 32 -11.585 4.409 -1.729 1.00 0.00 C ATOM 495 CG GLU A 32 -12.897 4.339 -2.538 1.00 0.00 C ATOM 496 CD GLU A 32 -12.915 3.240 -3.604 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.906 2.466 -3.647 1.00 0.00 O ATOM 498 OE2 GLU A 32 -11.977 3.145 -4.425 1.00 0.00 O ATOM 0 H GLU A 32 -11.387 7.088 -1.190 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.517 4.708 0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.812 4.884 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.242 3.398 -1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.727 4.177 -1.851 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.066 5.302 -3.021 1.00 0.00 H new ATOM 505 N HIS A 33 -9.935 4.023 0.724 1.00 0.00 N ATOM 506 CA HIS A 33 -8.698 3.839 1.467 1.00 0.00 C ATOM 507 C HIS A 33 -8.078 2.611 0.808 1.00 0.00 C ATOM 508 O HIS A 33 -7.990 2.617 -0.419 1.00 0.00 O ATOM 509 CB HIS A 33 -8.931 3.735 2.978 1.00 0.00 C ATOM 510 CG HIS A 33 -7.667 3.522 3.787 1.00 0.00 C ATOM 511 ND1 HIS A 33 -7.593 2.974 5.052 1.00 0.00 N ATOM 512 CD2 HIS A 33 -6.379 3.656 3.331 1.00 0.00 C ATOM 513 CE1 HIS A 33 -6.296 2.759 5.326 1.00 0.00 C ATOM 514 NE2 HIS A 33 -5.529 3.150 4.304 1.00 0.00 N ATOM 0 H HIS A 33 -10.361 3.141 0.441 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.019 4.690 1.418 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.421 4.646 3.323 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.617 2.911 3.173 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.381 2.770 5.667 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.081 4.080 2.384 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.924 2.330 6.245 1.00 0.00 H new ATOM 522 N ILE A 34 -7.712 1.569 1.562 1.00 0.00 N ATOM 523 CA ILE A 34 -7.114 0.326 1.103 1.00 0.00 C ATOM 524 C ILE A 34 -6.857 -0.560 2.350 1.00 0.00 C ATOM 525 O ILE A 34 -6.983 -0.058 3.469 1.00 0.00 O ATOM 526 CB ILE A 34 -5.799 0.676 0.328 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.766 0.114 -1.118 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.563 0.442 1.187 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.499 -0.592 -1.619 1.00 0.00 C ATOM 0 H ILE A 34 -7.837 1.580 2.574 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.761 -0.227 0.422 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.789 1.750 0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.593 -0.589 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.970 0.942 -1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.670 0.696 0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.615 1.069 2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.519 -0.606 1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.648 -0.921 -2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.657 0.099 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.290 -1.456 -0.988 1.00 0.00 H new ATOM 541 N PRO A 35 -6.446 -1.833 2.192 1.00 0.00 N ATOM 542 CA PRO A 35 -6.131 -2.718 3.295 1.00 0.00 C ATOM 543 C PRO A 35 -4.888 -2.265 4.077 1.00 0.00 C ATOM 544 O PRO A 35 -3.758 -2.596 3.721 1.00 0.00 O ATOM 545 CB PRO A 35 -5.936 -4.112 2.691 1.00 0.00 C ATOM 546 CG PRO A 35 -5.690 -3.900 1.198 1.00 0.00 C ATOM 547 CD PRO A 35 -6.295 -2.531 0.928 1.00 0.00 C ATOM 0 HA PRO A 35 -6.941 -2.713 4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.093 -4.623 3.156 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.816 -4.734 2.856 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.627 -3.923 0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.168 -4.675 0.599 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.655 -1.961 0.255 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.262 -2.635 0.436 1.00 0.00 H new ATOM 555 N GLU A 36 -5.125 -1.540 5.166 1.00 0.00 N ATOM 556 CA GLU A 36 -4.192 -1.021 6.157 1.00 0.00 C ATOM 557 C GLU A 36 -3.213 0.090 5.791 1.00 0.00 C ATOM 558 O GLU A 36 -2.421 0.406 6.677 1.00 0.00 O ATOM 559 CB GLU A 36 -3.386 -2.208 6.747 1.00 0.00 C ATOM 560 CG GLU A 36 -3.729 -2.495 8.205 1.00 0.00 C ATOM 561 CD GLU A 36 -5.114 -3.115 8.422 1.00 0.00 C ATOM 562 OE1 GLU A 36 -5.698 -3.739 7.505 1.00 0.00 O ATOM 563 OE2 GLU A 36 -5.614 -3.050 9.566 1.00 0.00 O ATOM 0 H GLU A 36 -6.081 -1.274 5.400 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.862 -0.515 6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.577 -3.101 6.152 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.321 -1.993 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.976 -3.167 8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.669 -1.564 8.769 1.00 0.00 H new ATOM 570 N ALA A 37 -3.201 0.679 4.595 1.00 0.00 N ATOM 571 CA ALA A 37 -2.215 1.711 4.242 1.00 0.00 C ATOM 572 C ALA A 37 -2.208 2.951 5.147 1.00 0.00 C ATOM 573 O ALA A 37 -3.035 3.109 6.047 1.00 0.00 O ATOM 574 CB ALA A 37 -2.293 2.094 2.770 1.00 0.00 C ATOM 0 H ALA A 37 -3.863 0.461 3.850 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.253 1.232 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.547 2.859 2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.101 1.215 2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.287 2.483 2.547 1.00 0.00 H new ATOM 580 N ASP A 38 -1.183 3.785 4.981 1.00 0.00 N ATOM 581 CA ASP A 38 -0.961 5.017 5.717 1.00 0.00 C ATOM 582 C ASP A 38 -0.546 6.093 4.715 1.00 0.00 C ATOM 583 O ASP A 38 0.379 5.894 3.919 1.00 0.00 O ATOM 584 CB ASP A 38 0.099 4.773 6.790 1.00 0.00 C ATOM 585 CG ASP A 38 0.079 5.850 7.872 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.910 5.901 8.640 1.00 0.00 O ATOM 587 OD2 ASP A 38 1.056 6.597 8.078 1.00 0.00 O ATOM 0 H ASP A 38 -0.451 3.606 4.294 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.863 5.354 6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.066 3.797 7.247 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.085 4.745 6.326 1.00 0.00 H new ATOM 592 N LEU A 39 -1.230 7.237 4.778 1.00 0.00 N ATOM 593 CA LEU A 39 -1.049 8.392 3.912 1.00 0.00 C ATOM 594 C LEU A 39 0.404 8.858 3.834 1.00 0.00 C ATOM 595 O LEU A 39 0.950 9.373 4.817 1.00 0.00 O ATOM 596 CB LEU A 39 -1.997 9.512 4.367 1.00 0.00 C ATOM 597 CG LEU A 39 -2.035 10.707 3.399 1.00 0.00 C ATOM 598 CD1 LEU A 39 -2.503 10.290 1.996 1.00 0.00 C ATOM 599 CD2 LEU A 39 -2.990 11.768 3.949 1.00 0.00 C ATOM 0 H LEU A 39 -1.962 7.385 5.473 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.303 8.101 2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.003 9.106 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.689 9.861 5.353 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.023 11.104 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.516 11.162 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.819 9.544 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.506 9.868 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.021 12.618 3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.989 11.343 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.641 12.100 4.927 1.00 0.00 H new ATOM 611 N ALA A 40 1.020 8.717 2.657 1.00 0.00 N ATOM 612 CA ALA A 40 2.401 9.094 2.391 1.00 0.00 C ATOM 613 C ALA A 40 2.648 9.216 0.883 1.00 0.00 C ATOM 614 O ALA A 40 3.179 8.276 0.285 1.00 0.00 O ATOM 615 CB ALA A 40 3.300 8.032 3.022 1.00 0.00 C ATOM 0 H ALA A 40 0.552 8.324 1.840 1.00 0.00 H new ATOM 0 HA ALA A 40 2.623 10.069 2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.345 8.285 2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.118 7.992 4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.080 7.060 2.580 1.00 0.00 H new ATOM 621 N PRO A 41 2.281 10.350 0.256 1.00 0.00 N ATOM 622 CA PRO A 41 2.510 10.534 -1.167 1.00 0.00 C ATOM 623 C PRO A 41 4.016 10.529 -1.452 1.00 0.00 C ATOM 624 O PRO A 41 4.840 10.793 -0.569 1.00 0.00 O ATOM 625 CB PRO A 41 1.827 11.851 -1.551 1.00 0.00 C ATOM 626 CG PRO A 41 1.678 12.611 -0.234 1.00 0.00 C ATOM 627 CD PRO A 41 1.643 11.522 0.841 1.00 0.00 C ATOM 0 HA PRO A 41 2.090 9.727 -1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.426 12.414 -2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.858 11.673 -2.017 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.510 13.297 -0.076 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.766 13.208 -0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.171 11.845 1.739 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.618 11.300 1.136 1.00 0.00 H new ATOM 635 N LEU A 42 4.371 10.271 -2.712 1.00 0.00 N ATOM 636 CA LEU A 42 5.743 10.201 -3.212 1.00 0.00 C ATOM 637 C LEU A 42 6.570 11.424 -2.802 1.00 0.00 C ATOM 638 O LEU A 42 7.766 11.288 -2.558 1.00 0.00 O ATOM 639 CB LEU A 42 5.717 9.929 -4.731 1.00 0.00 C ATOM 640 CG LEU A 42 7.098 9.997 -5.415 1.00 0.00 C ATOM 641 CD1 LEU A 42 7.208 9.019 -6.592 1.00 0.00 C ATOM 642 CD2 LEU A 42 7.374 11.393 -5.974 1.00 0.00 C ATOM 0 H LEU A 42 3.680 10.098 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 42 6.262 9.364 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.288 8.942 -4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.054 10.652 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 42 7.820 9.737 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.197 9.102 -7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.057 8.001 -6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.449 9.259 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.355 11.407 -6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.611 11.648 -6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.354 12.120 -5.163 1.00 0.00 H new ATOM 654 N SER A 43 5.960 12.604 -2.669 1.00 0.00 N ATOM 655 CA SER A 43 6.653 13.823 -2.265 1.00 0.00 C ATOM 656 C SER A 43 7.312 13.645 -0.887 1.00 0.00 C ATOM 657 O SER A 43 8.409 14.146 -0.655 1.00 0.00 O ATOM 658 CB SER A 43 5.671 15.007 -2.242 1.00 0.00 C ATOM 659 OG SER A 43 4.595 14.822 -3.148 1.00 0.00 O ATOM 0 H SER A 43 4.964 12.738 -2.841 1.00 0.00 H new ATOM 0 HA SER A 43 7.438 14.031 -2.992 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.278 15.133 -1.233 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.203 15.924 -2.493 1.00 0.00 H new ATOM 0 HG SER A 43 3.993 15.594 -3.103 1.00 0.00 H new ATOM 665 N VAL A 44 6.657 12.944 0.044 1.00 0.00 N ATOM 666 CA VAL A 44 7.171 12.691 1.388 1.00 0.00 C ATOM 667 C VAL A 44 8.321 11.688 1.294 1.00 0.00 C ATOM 668 O VAL A 44 9.376 11.886 1.898 1.00 0.00 O ATOM 669 CB VAL A 44 6.043 12.186 2.315 1.00 0.00 C ATOM 670 CG1 VAL A 44 6.536 12.167 3.765 1.00 0.00 C ATOM 671 CG2 VAL A 44 4.787 13.068 2.241 1.00 0.00 C ATOM 0 H VAL A 44 5.739 12.531 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 44 7.548 13.616 1.824 1.00 0.00 H new ATOM 0 HB VAL A 44 5.778 11.184 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.738 11.810 4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.396 11.503 3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.825 13.174 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.024 12.671 2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.039 14.085 2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.406 13.074 1.220 1.00 0.00 H new ATOM 681 N LEU A 45 8.121 10.625 0.515 1.00 0.00 N ATOM 682 CA LEU A 45 9.097 9.559 0.288 1.00 0.00 C ATOM 683 C LEU A 45 10.395 10.120 -0.309 1.00 0.00 C ATOM 684 O LEU A 45 11.489 9.683 0.049 1.00 0.00 O ATOM 685 CB LEU A 45 8.499 8.519 -0.673 1.00 0.00 C ATOM 686 CG LEU A 45 7.419 7.564 -0.126 1.00 0.00 C ATOM 687 CD1 LEU A 45 8.043 6.264 0.381 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.552 8.081 1.029 1.00 0.00 C ATOM 0 H LEU A 45 7.248 10.477 0.009 1.00 0.00 H new ATOM 0 HA LEU A 45 9.332 9.094 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.072 9.055 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.318 7.911 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 45 6.772 7.438 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.260 5.608 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.566 5.768 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.749 6.487 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.835 7.313 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.187 8.323 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.017 8.976 0.710 1.00 0.00 H new ATOM 700 N GLU A 46 10.288 11.082 -1.221 1.00 0.00 N ATOM 701 CA GLU A 46 11.400 11.728 -1.879 1.00 0.00 C ATOM 702 C GLU A 46 12.076 12.732 -0.948 1.00 0.00 C ATOM 703 O GLU A 46 13.299 12.710 -0.807 1.00 0.00 O ATOM 704 CB GLU A 46 10.878 12.441 -3.133 1.00 0.00 C ATOM 705 CG GLU A 46 10.776 11.508 -4.344 1.00 0.00 C ATOM 706 CD GLU A 46 11.108 12.193 -5.675 1.00 0.00 C ATOM 707 OE1 GLU A 46 10.532 13.245 -6.027 1.00 0.00 O ATOM 708 OE2 GLU A 46 11.931 11.598 -6.416 1.00 0.00 O ATOM 0 H GLU A 46 9.384 11.441 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 46 12.141 10.978 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.896 12.865 -2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.540 13.273 -3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.451 10.665 -4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.766 11.102 -4.396 1.00 0.00 H new ATOM 715 N GLN A 47 11.302 13.623 -0.319 1.00 0.00 N ATOM 716 CA GLN A 47 11.837 14.633 0.581 1.00 0.00 C ATOM 717 C GLN A 47 12.531 14.028 1.799 1.00 0.00 C ATOM 718 O GLN A 47 13.572 14.549 2.214 1.00 0.00 O ATOM 719 CB GLN A 47 10.695 15.539 1.080 1.00 0.00 C ATOM 720 CG GLN A 47 10.289 16.625 0.075 1.00 0.00 C ATOM 721 CD GLN A 47 11.418 17.622 -0.153 1.00 0.00 C ATOM 722 OE1 GLN A 47 11.895 18.263 0.779 1.00 0.00 O ATOM 723 NE2 GLN A 47 11.876 17.770 -1.383 1.00 0.00 N ATOM 0 H GLN A 47 10.288 13.659 -0.424 1.00 0.00 H new ATOM 0 HA GLN A 47 12.575 15.200 0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.825 14.922 1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.000 16.014 2.012 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.014 16.161 -0.872 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.407 17.150 0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.469 17.230 -2.147 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.636 18.424 -1.569 1.00 0.00 H new ATOM 732 N SER A 48 11.992 12.939 2.339 1.00 0.00 N ATOM 733 CA SER A 48 12.535 12.307 3.530 1.00 0.00 C ATOM 734 C SER A 48 12.591 10.793 3.400 1.00 0.00 C ATOM 735 O SER A 48 13.686 10.224 3.366 1.00 0.00 O ATOM 736 CB SER A 48 11.660 12.742 4.714 1.00 0.00 C ATOM 737 OG SER A 48 11.748 14.144 4.901 1.00 0.00 O ATOM 0 H SER A 48 11.167 12.473 1.961 1.00 0.00 H new ATOM 0 HA SER A 48 13.567 12.623 3.682 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.624 12.457 4.533 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.979 12.227 5.620 1.00 0.00 H new ATOM 0 HG SER A 48 11.184 14.409 5.658 1.00 0.00 H new ATOM 743 N GLY A 49 11.432 10.141 3.314 1.00 0.00 N ATOM 744 CA GLY A 49 11.371 8.700 3.213 1.00 0.00 C ATOM 745 C GLY A 49 10.298 8.119 4.110 1.00 0.00 C ATOM 746 O GLY A 49 9.346 8.801 4.498 1.00 0.00 O ATOM 0 H GLY A 49 10.521 10.600 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.174 8.416 2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.338 8.275 3.481 1.00 0.00 H new ATOM 750 N LEU A 50 10.475 6.826 4.353 1.00 0.00 N ATOM 751 CA LEU A 50 9.676 5.916 5.144 1.00 0.00 C ATOM 752 C LEU A 50 9.820 6.260 6.643 1.00 0.00 C ATOM 753 O LEU A 50 10.933 6.202 7.179 1.00 0.00 O ATOM 754 CB LEU A 50 10.182 4.500 4.804 1.00 0.00 C ATOM 755 CG LEU A 50 9.321 3.314 5.251 1.00 0.00 C ATOM 756 CD1 LEU A 50 9.213 3.196 6.761 1.00 0.00 C ATOM 757 CD2 LEU A 50 7.927 3.323 4.615 1.00 0.00 C ATOM 0 H LEU A 50 11.277 6.341 3.951 1.00 0.00 H new ATOM 0 HA LEU A 50 8.611 5.989 4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.305 4.438 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.172 4.382 5.245 1.00 0.00 H new ATOM 0 HG LEU A 50 9.848 2.431 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.591 2.338 7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.207 3.063 7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.763 4.103 7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.361 2.461 4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.405 4.238 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.022 3.276 3.530 1.00 0.00 H new ATOM 769 N PRO A 51 8.731 6.618 7.346 1.00 0.00 N ATOM 770 CA PRO A 51 8.757 6.970 8.761 1.00 0.00 C ATOM 771 C PRO A 51 8.831 5.780 9.720 1.00 0.00 C ATOM 772 O PRO A 51 8.394 4.669 9.427 1.00 0.00 O ATOM 773 CB PRO A 51 7.414 7.650 9.019 1.00 0.00 C ATOM 774 CG PRO A 51 6.471 7.041 7.986 1.00 0.00 C ATOM 775 CD PRO A 51 7.386 6.734 6.809 1.00 0.00 C ATOM 0 HA PRO A 51 9.647 7.572 8.944 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.064 7.464 10.034 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.487 8.731 8.900 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.988 6.140 8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.678 7.735 7.708 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.085 5.810 6.316 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.334 7.526 6.062 1.00 0.00 H new ATOM 783 N ALA A 52 9.238 6.057 10.963 1.00 0.00 N ATOM 784 CA ALA A 52 9.342 5.072 12.032 1.00 0.00 C ATOM 785 C ALA A 52 7.988 4.400 12.301 1.00 0.00 C ATOM 786 O ALA A 52 7.953 3.260 12.765 1.00 0.00 O ATOM 787 CB ALA A 52 9.858 5.750 13.305 1.00 0.00 C ATOM 0 H ALA A 52 9.509 6.996 11.255 1.00 0.00 H new ATOM 0 HA ALA A 52 10.043 4.297 11.722 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.936 5.013 14.104 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.840 6.183 13.114 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.166 6.538 13.604 1.00 0.00 H new ATOM 793 N LYS A 53 6.861 5.072 12.031 1.00 0.00 N ATOM 794 CA LYS A 53 5.552 4.461 12.257 1.00 0.00 C ATOM 795 C LYS A 53 5.270 3.329 11.264 1.00 0.00 C ATOM 796 O LYS A 53 4.428 2.492 11.581 1.00 0.00 O ATOM 797 CB LYS A 53 4.426 5.492 12.341 1.00 0.00 C ATOM 798 CG LYS A 53 3.985 6.057 10.997 1.00 0.00 C ATOM 799 CD LYS A 53 2.861 7.069 11.171 1.00 0.00 C ATOM 800 CE LYS A 53 1.530 6.351 11.439 1.00 0.00 C ATOM 801 NZ LYS A 53 0.391 7.055 10.826 1.00 0.00 N ATOM 0 H LYS A 53 6.832 6.023 11.662 1.00 0.00 H new ATOM 0 HA LYS A 53 5.585 3.996 13.242 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.566 5.033 12.828 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.751 6.315 12.978 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.833 6.532 10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.652 5.246 10.350 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.092 7.740 11.998 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.776 7.684 10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.581 5.335 11.048 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.371 6.271 12.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.178 7.508 11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.744 7.780 10.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.199 6.374 10.306 1.00 0.00 H new ATOM 815 N LEU A 54 5.943 3.258 10.105 1.00 0.00 N ATOM 816 CA LEU A 54 5.698 2.186 9.135 1.00 0.00 C ATOM 817 C LEU A 54 6.992 1.457 8.784 1.00 0.00 C ATOM 818 O LEU A 54 7.078 0.829 7.733 1.00 0.00 O ATOM 819 CB LEU A 54 5.114 2.777 7.821 1.00 0.00 C ATOM 820 CG LEU A 54 4.018 3.845 7.950 1.00 0.00 C ATOM 821 CD1 LEU A 54 3.762 4.565 6.630 1.00 0.00 C ATOM 822 CD2 LEU A 54 2.715 3.282 8.526 1.00 0.00 C ATOM 0 H LEU A 54 6.657 3.928 9.820 1.00 0.00 H new ATOM 0 HA LEU A 54 4.995 1.489 9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.937 3.207 7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.713 1.953 7.231 1.00 0.00 H new ATOM 0 HG LEU A 54 4.396 4.579 8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.980 5.311 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.677 5.056 6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.446 3.843 5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.974 4.078 8.596 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.340 2.494 7.874 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.903 2.873 9.519 1.00 0.00 H new ATOM 834 N ARG A 55 7.899 1.309 9.748 1.00 0.00 N ATOM 835 CA ARG A 55 9.199 0.643 9.553 1.00 0.00 C ATOM 836 C ARG A 55 9.181 -0.876 9.796 1.00 0.00 C ATOM 837 O ARG A 55 10.236 -1.489 9.953 1.00 0.00 O ATOM 838 CB ARG A 55 10.226 1.367 10.434 1.00 0.00 C ATOM 839 CG ARG A 55 10.074 0.971 11.914 1.00 0.00 C ATOM 840 CD ARG A 55 11.310 0.196 12.375 1.00 0.00 C ATOM 841 NE ARG A 55 11.039 -0.600 13.575 1.00 0.00 N ATOM 842 CZ ARG A 55 11.628 -1.762 13.863 1.00 0.00 C ATOM 843 NH1 ARG A 55 12.667 -2.205 13.164 1.00 0.00 N ATOM 844 NH2 ARG A 55 11.156 -2.486 14.869 1.00 0.00 N ATOM 0 H ARG A 55 7.757 1.649 10.699 1.00 0.00 H new ATOM 0 HA ARG A 55 9.472 0.720 8.501 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.233 1.128 10.093 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.102 2.445 10.329 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.944 1.863 12.527 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.181 0.360 12.046 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.647 -0.460 11.573 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.122 0.895 12.578 1.00 0.00 H new ATOM 0 HE ARG A 55 10.351 -0.240 14.237 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.032 -1.653 12.387 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.100 -3.097 13.404 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.356 -2.152 15.407 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.593 -3.377 15.105 1.00 0.00 H new ATOM 858 N HIS A 56 7.990 -1.458 9.923 1.00 0.00 N ATOM 859 CA HIS A 56 7.776 -2.883 10.171 1.00 0.00 C ATOM 860 C HIS A 56 8.661 -3.777 9.305 1.00 0.00 C ATOM 861 O HIS A 56 9.001 -3.427 8.182 1.00 0.00 O ATOM 862 CB HIS A 56 6.293 -3.257 10.007 1.00 0.00 C ATOM 863 CG HIS A 56 5.807 -4.207 11.075 1.00 0.00 C ATOM 864 ND1 HIS A 56 5.823 -5.588 11.060 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.259 -3.818 12.265 1.00 0.00 C ATOM 866 CE1 HIS A 56 5.297 -6.007 12.224 1.00 0.00 C ATOM 867 NE2 HIS A 56 4.943 -4.966 12.995 1.00 0.00 N ATOM 0 H HIS A 56 7.118 -0.933 9.854 1.00 0.00 H new ATOM 0 HA HIS A 56 8.068 -3.062 11.206 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.689 -2.350 10.032 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.144 -3.712 9.028 1.00 0.00 H new ATOM 0 HD2 HIS A 56 5.098 -2.799 12.585 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.175 -7.043 12.502 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.527 -5.006 13.926 1.00 0.00 H new ATOM 875 N GLU A 57 8.938 -4.979 9.809 1.00 0.00 N ATOM 876 CA GLU A 57 9.770 -6.014 9.191 1.00 0.00 C ATOM 877 C GLU A 57 9.360 -6.396 7.760 1.00 0.00 C ATOM 878 O GLU A 57 10.141 -6.981 7.006 1.00 0.00 O ATOM 879 CB GLU A 57 9.656 -7.247 10.101 1.00 0.00 C ATOM 880 CG GLU A 57 10.773 -8.279 9.939 1.00 0.00 C ATOM 881 CD GLU A 57 12.125 -7.840 10.492 1.00 0.00 C ATOM 882 OE1 GLU A 57 13.009 -8.708 10.606 1.00 0.00 O ATOM 883 OE2 GLU A 57 12.302 -6.666 10.897 1.00 0.00 O ATOM 0 H GLU A 57 8.567 -5.275 10.712 1.00 0.00 H new ATOM 0 HA GLU A 57 10.786 -5.629 9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.639 -6.913 11.138 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.701 -7.735 9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.473 -9.201 10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.886 -8.510 8.880 1.00 0.00 H new ATOM 890 N GLN A 58 8.117 -6.108 7.391 1.00 0.00 N ATOM 891 CA GLN A 58 7.525 -6.384 6.103 1.00 0.00 C ATOM 892 C GLN A 58 6.636 -5.212 5.760 1.00 0.00 C ATOM 893 O GLN A 58 5.823 -4.787 6.589 1.00 0.00 O ATOM 894 CB GLN A 58 6.644 -7.635 6.217 1.00 0.00 C ATOM 895 CG GLN A 58 7.439 -8.942 6.231 1.00 0.00 C ATOM 896 CD GLN A 58 6.518 -10.128 6.485 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.436 -10.635 7.601 1.00 0.00 O ATOM 898 NE2 GLN A 58 5.799 -10.591 5.477 1.00 0.00 N ATOM 0 H GLN A 58 7.464 -5.649 8.026 1.00 0.00 H new ATOM 0 HA GLN A 58 8.295 -6.539 5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.051 -7.570 7.129 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.944 -7.654 5.382 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.953 -9.071 5.278 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.206 -8.899 7.004 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.876 -10.161 4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.167 -11.378 5.621 1.00 0.00 H new ATOM 907 N ILE A 59 6.804 -4.662 4.566 1.00 0.00 N ATOM 908 CA ILE A 59 6.000 -3.571 4.096 1.00 0.00 C ATOM 909 C ILE A 59 5.620 -3.855 2.637 1.00 0.00 C ATOM 910 O ILE A 59 6.112 -4.791 2.002 1.00 0.00 O ATOM 911 CB ILE A 59 6.585 -2.188 4.451 1.00 0.00 C ATOM 912 CG1 ILE A 59 7.364 -1.459 3.347 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.417 -2.101 5.749 1.00 0.00 C ATOM 914 CD1 ILE A 59 6.950 0.004 3.312 1.00 0.00 C ATOM 0 H ILE A 59 7.511 -4.972 3.899 1.00 0.00 H new ATOM 0 HA ILE A 59 5.054 -3.503 4.634 1.00 0.00 H new ATOM 0 HB ILE A 59 5.638 -1.670 4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.436 -1.540 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.169 -1.926 2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.771 -1.079 5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.797 -2.387 6.599 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.271 -2.775 5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.504 0.520 2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.882 0.075 3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.168 0.467 4.275 1.00 0.00 H new ATOM 926 N ILE A 60 4.710 -3.065 2.095 1.00 0.00 N ATOM 927 CA ILE A 60 4.168 -3.171 0.750 1.00 0.00 C ATOM 928 C ILE A 60 3.935 -1.739 0.245 1.00 0.00 C ATOM 929 O ILE A 60 3.947 -0.775 1.011 1.00 0.00 O ATOM 930 CB ILE A 60 2.873 -4.051 0.790 1.00 0.00 C ATOM 931 CG1 ILE A 60 3.105 -5.410 1.511 1.00 0.00 C ATOM 932 CG2 ILE A 60 2.272 -4.322 -0.611 1.00 0.00 C ATOM 933 CD1 ILE A 60 2.013 -6.476 1.365 1.00 0.00 C ATOM 0 H ILE A 60 4.305 -2.285 2.613 1.00 0.00 H new ATOM 0 HA ILE A 60 4.845 -3.667 0.055 1.00 0.00 H new ATOM 0 HB ILE A 60 2.157 -3.458 1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.040 -5.832 1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.242 -5.210 2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.378 -4.937 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.010 -3.375 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.004 -4.845 -1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.302 -7.371 1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.074 -6.092 1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.885 -6.724 0.311 1.00 0.00 H new ATOM 945 N PHE A 61 3.712 -1.591 -1.053 1.00 0.00 N ATOM 946 CA PHE A 61 3.457 -0.337 -1.749 1.00 0.00 C ATOM 947 C PHE A 61 2.332 -0.530 -2.769 1.00 0.00 C ATOM 948 O PHE A 61 2.148 -1.633 -3.293 1.00 0.00 O ATOM 949 CB PHE A 61 4.753 0.095 -2.450 1.00 0.00 C ATOM 950 CG PHE A 61 5.692 0.897 -1.573 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.629 2.300 -1.546 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.649 0.239 -0.790 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.536 3.032 -0.759 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.585 0.969 -0.043 1.00 0.00 C ATOM 955 CZ PHE A 61 7.532 2.371 -0.021 1.00 0.00 C ATOM 0 H PHE A 61 3.704 -2.390 -1.686 1.00 0.00 H new ATOM 0 HA PHE A 61 3.146 0.434 -1.044 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.275 -0.794 -2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.498 0.688 -3.329 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.883 2.817 -2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.666 -0.840 -0.761 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.466 4.109 -0.722 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.349 0.450 0.517 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.249 2.936 0.557 1.00 0.00 H new ATOM 965 N HIS A 62 1.583 0.537 -3.059 1.00 0.00 N ATOM 966 CA HIS A 62 0.485 0.564 -4.023 1.00 0.00 C ATOM 967 C HIS A 62 0.279 2.006 -4.469 1.00 0.00 C ATOM 968 O HIS A 62 0.730 2.937 -3.807 1.00 0.00 O ATOM 969 CB HIS A 62 -0.846 0.090 -3.411 1.00 0.00 C ATOM 970 CG HIS A 62 -1.441 1.076 -2.427 1.00 0.00 C ATOM 971 ND1 HIS A 62 -2.574 1.859 -2.588 1.00 0.00 N ATOM 972 CD2 HIS A 62 -0.894 1.397 -1.219 1.00 0.00 C ATOM 973 CE1 HIS A 62 -2.725 2.577 -1.457 1.00 0.00 C ATOM 974 NE2 HIS A 62 -1.728 2.317 -0.603 1.00 0.00 N ATOM 0 H HIS A 62 1.733 1.440 -2.610 1.00 0.00 H new ATOM 0 HA HIS A 62 0.752 -0.102 -4.844 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.563 -0.089 -4.213 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.687 -0.863 -2.907 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -3.180 1.887 -3.408 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.027 1.004 -0.814 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.536 3.265 -1.267 1.00 0.00 H new ATOM 982 N CYS A 63 -0.452 2.185 -5.559 1.00 0.00 N ATOM 983 CA CYS A 63 -0.799 3.475 -6.120 1.00 0.00 C ATOM 984 C CYS A 63 -2.267 3.370 -6.514 1.00 0.00 C ATOM 985 O CYS A 63 -3.116 4.021 -5.914 1.00 0.00 O ATOM 986 CB CYS A 63 0.143 3.875 -7.267 1.00 0.00 C ATOM 987 SG CYS A 63 0.460 2.537 -8.458 1.00 0.00 S ATOM 0 H CYS A 63 -0.832 1.404 -6.094 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.670 4.286 -5.403 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.285 4.726 -7.796 1.00 0.00 H new ATOM 0 HB3 CYS A 63 1.092 4.207 -6.846 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.510 2.486 -9.322 1.00 0.00 H new ATOM 993 N GLN A 64 -2.574 2.521 -7.493 1.00 0.00 N ATOM 994 CA GLN A 64 -3.905 2.255 -8.017 1.00 0.00 C ATOM 995 C GLN A 64 -3.812 0.972 -8.858 1.00 0.00 C ATOM 996 O GLN A 64 -2.807 0.254 -8.770 1.00 0.00 O ATOM 997 CB GLN A 64 -4.378 3.471 -8.836 1.00 0.00 C ATOM 998 CG GLN A 64 -5.888 3.697 -8.708 1.00 0.00 C ATOM 999 CD GLN A 64 -6.305 4.873 -9.578 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -6.709 4.681 -10.727 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -6.219 6.094 -9.085 1.00 0.00 N ATOM 0 H GLN A 64 -1.857 1.971 -7.966 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.640 2.104 -7.226 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.848 4.362 -8.500 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.121 3.324 -9.885 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.427 2.799 -9.010 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.150 3.891 -7.668 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.883 6.237 -8.133 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.489 6.895 -9.656 1.00 0.00 H new ATOM 1010 N ALA A 65 -4.823 0.665 -9.672 1.00 0.00 N ATOM 1011 CA ALA A 65 -4.853 -0.512 -10.540 1.00 0.00 C ATOM 1012 C ALA A 65 -4.017 -0.282 -11.794 1.00 0.00 C ATOM 1013 O ALA A 65 -4.487 -0.502 -12.920 1.00 0.00 O ATOM 1014 CB ALA A 65 -6.304 -0.885 -10.854 1.00 0.00 C ATOM 0 H ALA A 65 -5.662 1.240 -9.747 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.402 -1.359 -10.023 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.322 -1.762 -11.501 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.832 -1.107 -9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.793 -0.052 -11.359 1.00 0.00 H new ATOM 1020 N GLY A 66 -2.794 0.188 -11.612 1.00 0.00 N ATOM 1021 CA GLY A 66 -1.869 0.485 -12.682 1.00 0.00 C ATOM 1022 C GLY A 66 -0.532 -0.167 -12.407 1.00 0.00 C ATOM 1023 O GLY A 66 0.097 0.139 -11.391 1.00 0.00 O ATOM 0 H GLY A 66 -2.410 0.377 -10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.270 0.126 -13.630 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.744 1.564 -12.777 1.00 0.00 H new ATOM 1027 N LYS A 67 -0.081 -1.022 -13.326 1.00 0.00 N ATOM 1028 CA LYS A 67 1.191 -1.757 -13.293 1.00 0.00 C ATOM 1029 C LYS A 67 2.377 -0.810 -13.487 1.00 0.00 C ATOM 1030 O LYS A 67 3.182 -0.942 -14.417 1.00 0.00 O ATOM 1031 CB LYS A 67 1.171 -2.953 -14.269 1.00 0.00 C ATOM 1032 CG LYS A 67 0.747 -2.596 -15.703 1.00 0.00 C ATOM 1033 CD LYS A 67 0.658 -3.817 -16.624 1.00 0.00 C ATOM 1034 CE LYS A 67 0.231 -3.327 -18.013 1.00 0.00 C ATOM 1035 NZ LYS A 67 -0.353 -4.400 -18.839 1.00 0.00 N ATOM 0 H LYS A 67 -0.623 -1.235 -14.163 1.00 0.00 H new ATOM 0 HA LYS A 67 1.322 -2.193 -12.303 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.165 -3.399 -14.298 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.492 -3.712 -13.881 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.222 -2.097 -15.676 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.460 -1.885 -16.120 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.620 -4.326 -16.678 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.062 -4.537 -16.235 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.496 -2.522 -17.903 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.095 -2.907 -18.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.624 -4.016 -19.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.347 -5.158 -18.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.195 -4.785 -18.364 1.00 0.00 H new ATOM 1049 N ARG A 68 2.516 0.158 -12.592 1.00 0.00 N ATOM 1050 CA ARG A 68 3.547 1.189 -12.554 1.00 0.00 C ATOM 1051 C ARG A 68 4.313 1.136 -11.238 1.00 0.00 C ATOM 1052 O ARG A 68 5.365 1.767 -11.131 1.00 0.00 O ATOM 1053 CB ARG A 68 2.885 2.567 -12.675 1.00 0.00 C ATOM 1054 CG ARG A 68 2.130 2.786 -13.992 1.00 0.00 C ATOM 1055 CD ARG A 68 1.422 4.136 -13.900 1.00 0.00 C ATOM 1056 NE ARG A 68 0.614 4.422 -15.097 1.00 0.00 N ATOM 1057 CZ ARG A 68 -0.561 5.066 -15.114 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -1.125 5.465 -13.984 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -1.177 5.299 -16.263 1.00 0.00 N ATOM 0 H ARG A 68 1.862 0.251 -11.815 1.00 0.00 H new ATOM 0 HA ARG A 68 4.238 1.018 -13.379 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.191 2.699 -11.845 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.651 3.336 -12.576 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.820 2.772 -14.836 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.409 1.986 -14.157 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.780 4.149 -13.019 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.163 4.925 -13.766 1.00 0.00 H new ATOM 0 HE ARG A 68 0.981 4.101 -15.993 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.665 5.283 -13.092 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.020 5.955 -14.006 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.757 4.988 -17.139 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.071 5.789 -16.272 1.00 0.00 H new ATOM 1073 N THR A 69 3.802 0.421 -10.234 1.00 0.00 N ATOM 1074 CA THR A 69 4.430 0.299 -8.933 1.00 0.00 C ATOM 1075 C THR A 69 5.814 -0.329 -9.122 1.00 0.00 C ATOM 1076 O THR A 69 6.811 0.289 -8.746 1.00 0.00 O ATOM 1077 CB THR A 69 3.517 -0.485 -7.958 1.00 0.00 C ATOM 1078 OG1 THR A 69 2.209 -0.692 -8.472 1.00 0.00 O ATOM 1079 CG2 THR A 69 3.377 0.247 -6.620 1.00 0.00 C ATOM 0 H THR A 69 2.926 -0.095 -10.311 1.00 0.00 H new ATOM 0 HA THR A 69 4.570 1.277 -8.473 1.00 0.00 H new ATOM 0 HB THR A 69 4.004 -1.451 -7.822 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.726 0.161 -8.492 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.730 -0.328 -5.957 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.360 0.359 -6.162 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.941 1.232 -6.788 1.00 0.00 H new ATOM 1087 N SER A 70 5.892 -1.497 -9.778 1.00 0.00 N ATOM 1088 CA SER A 70 7.155 -2.192 -10.012 1.00 0.00 C ATOM 1089 C SER A 70 8.153 -1.314 -10.772 1.00 0.00 C ATOM 1090 O SER A 70 9.325 -1.259 -10.398 1.00 0.00 O ATOM 1091 CB SER A 70 6.914 -3.537 -10.719 1.00 0.00 C ATOM 1092 OG SER A 70 7.927 -4.462 -10.381 1.00 0.00 O ATOM 0 H SER A 70 5.079 -1.981 -10.159 1.00 0.00 H new ATOM 0 HA SER A 70 7.605 -2.405 -9.043 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.940 -3.935 -10.434 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.894 -3.389 -11.799 1.00 0.00 H new ATOM 0 HG SER A 70 7.759 -5.313 -10.837 1.00 0.00 H new ATOM 1098 N ASN A 71 7.690 -0.573 -11.781 1.00 0.00 N ATOM 1099 CA ASN A 71 8.497 0.318 -12.621 1.00 0.00 C ATOM 1100 C ASN A 71 9.291 1.366 -11.841 1.00 0.00 C ATOM 1101 O ASN A 71 10.207 1.962 -12.405 1.00 0.00 O ATOM 1102 CB ASN A 71 7.596 1.042 -13.638 1.00 0.00 C ATOM 1103 CG ASN A 71 7.649 0.432 -15.024 1.00 0.00 C ATOM 1104 OD1 ASN A 71 8.062 1.074 -15.983 1.00 0.00 O ATOM 1105 ND2 ASN A 71 7.181 -0.787 -15.204 1.00 0.00 N ATOM 0 H ASN A 71 6.705 -0.576 -12.046 1.00 0.00 H new ATOM 0 HA ASN A 71 9.222 -0.327 -13.118 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.567 1.024 -13.279 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.894 2.089 -13.697 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.163 -1.194 -16.139 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.837 -1.324 -14.408 1.00 0.00 H new ATOM 1112 N ASN A 72 8.944 1.643 -10.582 1.00 0.00 N ATOM 1113 CA ASN A 72 9.634 2.632 -9.752 1.00 0.00 C ATOM 1114 C ASN A 72 9.999 2.063 -8.379 1.00 0.00 C ATOM 1115 O ASN A 72 10.485 2.799 -7.512 1.00 0.00 O ATOM 1116 CB ASN A 72 8.722 3.847 -9.530 1.00 0.00 C ATOM 1117 CG ASN A 72 8.175 4.533 -10.777 1.00 0.00 C ATOM 1118 OD1 ASN A 72 7.104 5.134 -10.717 1.00 0.00 O ATOM 1119 ND2 ASN A 72 8.835 4.460 -11.923 1.00 0.00 N ATOM 0 H ASN A 72 8.168 1.182 -10.106 1.00 0.00 H new ATOM 0 HA ASN A 72 10.547 2.915 -10.276 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.877 3.530 -8.918 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.276 4.586 -8.951 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.455 4.903 -12.759 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.723 3.961 -11.969 1.00 0.00 H new ATOM 1126 N ALA A 73 9.730 0.778 -8.156 1.00 0.00 N ATOM 1127 CA ALA A 73 9.958 0.079 -6.912 1.00 0.00 C ATOM 1128 C ALA A 73 11.402 0.009 -6.423 1.00 0.00 C ATOM 1129 O ALA A 73 11.578 -0.306 -5.247 1.00 0.00 O ATOM 1130 CB ALA A 73 9.337 -1.312 -7.011 1.00 0.00 C ATOM 0 H ALA A 73 9.329 0.177 -8.876 1.00 0.00 H new ATOM 0 HA ALA A 73 9.473 0.680 -6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.502 -1.851 -6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.266 -1.220 -7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.799 -1.859 -7.833 1.00 0.00 H new ATOM 1136 N ASP A 74 12.419 0.311 -7.235 1.00 0.00 N ATOM 1137 CA ASP A 74 13.803 0.226 -6.738 1.00 0.00 C ATOM 1138 C ASP A 74 14.010 1.263 -5.642 1.00 0.00 C ATOM 1139 O ASP A 74 14.561 0.954 -4.582 1.00 0.00 O ATOM 1140 CB ASP A 74 14.864 0.335 -7.843 1.00 0.00 C ATOM 1141 CG ASP A 74 15.053 -0.965 -8.627 1.00 0.00 C ATOM 1142 OD1 ASP A 74 14.570 -2.039 -8.201 1.00 0.00 O ATOM 1143 OD2 ASP A 74 15.783 -0.964 -9.644 1.00 0.00 O ATOM 0 H ASP A 74 12.322 0.607 -8.206 1.00 0.00 H new ATOM 0 HA ASP A 74 13.942 -0.772 -6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.581 1.130 -8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.816 0.624 -7.397 1.00 0.00 H new ATOM 1148 N LYS A 75 13.531 2.493 -5.856 1.00 0.00 N ATOM 1149 CA LYS A 75 13.639 3.546 -4.863 1.00 0.00 C ATOM 1150 C LYS A 75 12.816 3.144 -3.655 1.00 0.00 C ATOM 1151 O LYS A 75 13.305 3.265 -2.545 1.00 0.00 O ATOM 1152 CB LYS A 75 13.144 4.881 -5.437 1.00 0.00 C ATOM 1153 CG LYS A 75 14.277 5.893 -5.613 1.00 0.00 C ATOM 1154 CD LYS A 75 14.784 6.417 -4.269 1.00 0.00 C ATOM 1155 CE LYS A 75 15.538 7.739 -4.480 1.00 0.00 C ATOM 1156 NZ LYS A 75 15.876 8.438 -3.220 1.00 0.00 N ATOM 0 H LYS A 75 13.063 2.777 -6.717 1.00 0.00 H new ATOM 0 HA LYS A 75 14.681 3.680 -4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.665 4.704 -6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.386 5.299 -4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.100 5.427 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.928 6.728 -6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.947 6.569 -3.588 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.442 5.682 -3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.456 7.539 -5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.931 8.399 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.382 9.320 -3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.003 8.659 -2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.481 7.827 -2.635 1.00 0.00 H new ATOM 1170 N LEU A 76 11.586 2.664 -3.864 1.00 0.00 N ATOM 1171 CA LEU A 76 10.671 2.242 -2.799 1.00 0.00 C ATOM 1172 C LEU A 76 11.341 1.203 -1.891 1.00 0.00 C ATOM 1173 O LEU A 76 11.210 1.289 -0.671 1.00 0.00 O ATOM 1174 CB LEU A 76 9.339 1.715 -3.373 1.00 0.00 C ATOM 1175 CG LEU A 76 8.643 2.652 -4.381 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.322 2.047 -4.878 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.378 4.057 -3.828 1.00 0.00 C ATOM 0 H LEU A 76 11.191 2.556 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 76 10.434 3.117 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.525 0.758 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.655 1.525 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 76 9.342 2.754 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.853 2.729 -5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.520 1.094 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.654 1.888 -4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.887 4.661 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.735 3.987 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.323 4.523 -3.549 1.00 0.00 H new ATOM 1189 N ALA A 77 12.062 0.243 -2.476 1.00 0.00 N ATOM 1190 CA ALA A 77 12.778 -0.797 -1.748 1.00 0.00 C ATOM 1191 C ALA A 77 13.876 -0.134 -0.926 1.00 0.00 C ATOM 1192 O ALA A 77 13.904 -0.281 0.290 1.00 0.00 O ATOM 1193 CB ALA A 77 13.387 -1.833 -2.701 1.00 0.00 C ATOM 0 H ALA A 77 12.164 0.169 -3.488 1.00 0.00 H new ATOM 0 HA ALA A 77 12.079 -1.325 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.913 -2.593 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.594 -2.303 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.087 -1.340 -3.375 1.00 0.00 H new ATOM 1199 N ALA A 78 14.756 0.625 -1.585 1.00 0.00 N ATOM 1200 CA ALA A 78 15.868 1.323 -0.950 1.00 0.00 C ATOM 1201 C ALA A 78 15.406 2.205 0.219 1.00 0.00 C ATOM 1202 O ALA A 78 16.079 2.296 1.247 1.00 0.00 O ATOM 1203 CB ALA A 78 16.577 2.165 -2.017 1.00 0.00 C ATOM 0 H ALA A 78 14.711 0.772 -2.593 1.00 0.00 H new ATOM 0 HA ALA A 78 16.553 0.588 -0.528 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.414 2.697 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.947 1.513 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.875 2.885 -2.438 1.00 0.00 H new ATOM 1209 N ILE A 79 14.253 2.845 0.051 1.00 0.00 N ATOM 1210 CA ILE A 79 13.593 3.738 0.985 1.00 0.00 C ATOM 1211 C ILE A 79 13.092 3.004 2.232 1.00 0.00 C ATOM 1212 O ILE A 79 13.259 3.537 3.327 1.00 0.00 O ATOM 1213 CB ILE A 79 12.436 4.434 0.227 1.00 0.00 C ATOM 1214 CG1 ILE A 79 12.981 5.668 -0.524 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.229 4.807 1.093 1.00 0.00 C ATOM 1216 CD1 ILE A 79 11.972 6.257 -1.514 1.00 0.00 C ATOM 0 H ILE A 79 13.718 2.741 -0.811 1.00 0.00 H new ATOM 0 HA ILE A 79 14.304 4.479 1.351 1.00 0.00 H new ATOM 0 HB ILE A 79 12.049 3.698 -0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.261 6.433 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.888 5.389 -1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.472 5.289 0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.811 3.906 1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.544 5.492 1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.412 7.121 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.711 5.505 -2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.074 6.565 -0.978 1.00 0.00 H new ATOM 1228 N ALA A 80 12.467 1.831 2.090 1.00 0.00 N ATOM 1229 CA ALA A 80 11.892 1.078 3.206 1.00 0.00 C ATOM 1230 C ALA A 80 12.705 -0.127 3.698 1.00 0.00 C ATOM 1231 O ALA A 80 12.268 -0.818 4.615 1.00 0.00 O ATOM 1232 CB ALA A 80 10.453 0.743 2.820 1.00 0.00 C ATOM 0 H ALA A 80 12.345 1.374 1.186 1.00 0.00 H new ATOM 0 HA ALA A 80 11.917 1.706 4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.982 0.179 3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.898 1.665 2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.451 0.145 1.909 1.00 0.00 H new ATOM 1238 N ALA A 81 13.882 -0.382 3.127 1.00 0.00 N ATOM 1239 CA ALA A 81 14.766 -1.472 3.533 1.00 0.00 C ATOM 1240 C ALA A 81 15.221 -1.229 4.996 1.00 0.00 C ATOM 1241 O ALA A 81 15.094 -0.100 5.484 1.00 0.00 O ATOM 1242 CB ALA A 81 15.964 -1.454 2.570 1.00 0.00 C ATOM 0 H ALA A 81 14.253 0.173 2.356 1.00 0.00 H new ATOM 0 HA ALA A 81 14.270 -2.442 3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.655 -2.254 2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.612 -1.601 1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.475 -0.494 2.643 1.00 0.00 H new ATOM 1248 N PRO A 82 15.775 -2.222 5.721 1.00 0.00 N ATOM 1249 CA PRO A 82 16.057 -3.597 5.304 1.00 0.00 C ATOM 1250 C PRO A 82 14.821 -4.500 5.215 1.00 0.00 C ATOM 1251 O PRO A 82 14.954 -5.641 4.763 1.00 0.00 O ATOM 1252 CB PRO A 82 17.050 -4.123 6.343 1.00 0.00 C ATOM 1253 CG PRO A 82 16.647 -3.390 7.616 1.00 0.00 C ATOM 1254 CD PRO A 82 16.248 -2.015 7.085 1.00 0.00 C ATOM 0 HA PRO A 82 16.450 -3.604 4.287 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.974 -5.204 6.460 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.080 -3.904 6.062 1.00 0.00 H new ATOM 0 HG2 PRO A 82 15.821 -3.885 8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.470 -3.328 8.328 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.468 -1.571 7.703 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.096 -1.331 7.102 1.00 0.00 H new ATOM 1262 N ALA A 83 13.644 -4.016 5.627 1.00 0.00 N ATOM 1263 CA ALA A 83 12.406 -4.779 5.576 1.00 0.00 C ATOM 1264 C ALA A 83 12.117 -5.238 4.144 1.00 0.00 C ATOM 1265 O ALA A 83 12.633 -4.668 3.181 1.00 0.00 O ATOM 1266 CB ALA A 83 11.261 -3.901 6.084 1.00 0.00 C ATOM 0 H ALA A 83 13.530 -3.076 6.007 1.00 0.00 H new ATOM 0 HA ALA A 83 12.502 -5.664 6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.328 -4.464 6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.464 -3.597 7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.174 -3.016 5.454 1.00 0.00 H new ATOM 1272 N GLU A 84 11.294 -6.273 4.003 1.00 0.00 N ATOM 1273 CA GLU A 84 10.896 -6.831 2.713 1.00 0.00 C ATOM 1274 C GLU A 84 9.790 -5.956 2.123 1.00 0.00 C ATOM 1275 O GLU A 84 8.789 -5.732 2.805 1.00 0.00 O ATOM 1276 CB GLU A 84 10.324 -8.240 2.877 1.00 0.00 C ATOM 1277 CG GLU A 84 11.342 -9.318 3.224 1.00 0.00 C ATOM 1278 CD GLU A 84 10.649 -10.682 3.267 1.00 0.00 C ATOM 1279 OE1 GLU A 84 10.262 -11.160 4.354 1.00 0.00 O ATOM 1280 OE2 GLU A 84 10.473 -11.308 2.192 1.00 0.00 O ATOM 0 H GLU A 84 10.876 -6.757 4.798 1.00 0.00 H new ATOM 0 HA GLU A 84 11.775 -6.866 2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.563 -8.217 3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.823 -8.521 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.142 -9.328 2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.802 -9.102 4.188 1.00 0.00 H new ATOM 1287 N ILE A 85 9.936 -5.486 0.877 1.00 0.00 N ATOM 1288 CA ILE A 85 8.946 -4.635 0.210 1.00 0.00 C ATOM 1289 C ILE A 85 8.266 -5.426 -0.896 1.00 0.00 C ATOM 1290 O ILE A 85 8.930 -6.110 -1.678 1.00 0.00 O ATOM 1291 CB ILE A 85 9.593 -3.330 -0.332 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.761 -2.234 0.740 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.754 -2.660 -1.441 1.00 0.00 C ATOM 1294 CD1 ILE A 85 10.203 -2.731 2.109 1.00 0.00 C ATOM 0 H ILE A 85 10.752 -5.689 0.300 1.00 0.00 H new ATOM 0 HA ILE A 85 8.193 -4.330 0.936 1.00 0.00 H new ATOM 0 HB ILE A 85 10.558 -3.676 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.490 -1.507 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.813 -1.708 0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.256 -1.754 -1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.643 -3.348 -2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.770 -2.404 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.292 -1.886 2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.466 -3.434 2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.168 -3.230 2.021 1.00 0.00 H new ATOM 1306 N PHE A 86 6.946 -5.259 -1.007 1.00 0.00 N ATOM 1307 CA PHE A 86 6.121 -5.903 -2.015 1.00 0.00 C ATOM 1308 C PHE A 86 5.177 -4.917 -2.680 1.00 0.00 C ATOM 1309 O PHE A 86 5.142 -3.740 -2.322 1.00 0.00 O ATOM 1310 CB PHE A 86 5.385 -7.118 -1.441 1.00 0.00 C ATOM 1311 CG PHE A 86 6.249 -8.185 -0.811 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.722 -8.030 0.504 1.00 0.00 C ATOM 1313 CD2 PHE A 86 6.514 -9.372 -1.515 1.00 0.00 C ATOM 1314 CE1 PHE A 86 7.440 -9.068 1.114 1.00 0.00 C ATOM 1315 CE2 PHE A 86 7.263 -10.397 -0.914 1.00 0.00 C ATOM 1316 CZ PHE A 86 7.716 -10.250 0.407 1.00 0.00 C ATOM 0 H PHE A 86 6.414 -4.656 -0.380 1.00 0.00 H new ATOM 0 HA PHE A 86 6.784 -6.274 -2.797 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.675 -6.766 -0.693 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.804 -7.576 -2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.533 -7.113 1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.141 -9.496 -2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.783 -8.958 2.132 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.490 -11.297 -1.467 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.276 -11.044 0.879 1.00 0.00 H new ATOM 1326 N LEU A 87 4.413 -5.410 -3.657 1.00 0.00 N ATOM 1327 CA LEU A 87 3.479 -4.633 -4.450 1.00 0.00 C ATOM 1328 C LEU A 87 2.147 -5.373 -4.531 1.00 0.00 C ATOM 1329 O LEU A 87 2.090 -6.465 -5.101 1.00 0.00 O ATOM 1330 CB LEU A 87 4.070 -4.429 -5.865 1.00 0.00 C ATOM 1331 CG LEU A 87 5.554 -3.999 -5.937 1.00 0.00 C ATOM 1332 CD1 LEU A 87 6.061 -4.174 -7.367 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.790 -2.555 -5.485 1.00 0.00 C ATOM 0 H LEU A 87 4.434 -6.395 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 87 3.312 -3.660 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.957 -5.361 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.472 -3.677 -6.380 1.00 0.00 H new ATOM 0 HG LEU A 87 6.104 -4.638 -5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.107 -3.872 -7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.970 -5.220 -7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.469 -3.555 -8.041 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.851 -2.319 -5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.221 -1.877 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.465 -2.440 -4.451 1.00 0.00 H new ATOM 1345 N LEU A 88 1.084 -4.800 -3.965 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.261 -5.381 -3.987 1.00 0.00 C ATOM 1347 C LEU A 88 -0.697 -5.490 -5.457 1.00 0.00 C ATOM 1348 O LEU A 88 -0.538 -4.521 -6.214 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.218 -4.466 -3.187 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.550 -5.082 -2.693 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -3.369 -3.995 -1.993 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.416 -5.754 -3.754 1.00 0.00 C ATOM 0 H LEU A 88 1.132 -3.908 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.278 -6.370 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.677 -4.092 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.457 -3.603 -3.809 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.257 -5.888 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.310 -4.418 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.806 -3.605 -1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.575 -3.186 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.321 -6.147 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.687 -5.025 -4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.860 -6.571 -4.214 1.00 0.00 H new ATOM 1364 N GLU A 89 -1.202 -6.652 -5.884 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.675 -6.900 -7.244 1.00 0.00 C ATOM 1366 C GLU A 89 -2.657 -5.807 -7.660 1.00 0.00 C ATOM 1367 O GLU A 89 -3.722 -5.673 -7.071 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.355 -8.279 -7.359 1.00 0.00 C ATOM 1369 CG GLU A 89 -3.078 -8.440 -8.717 1.00 0.00 C ATOM 1370 CD GLU A 89 -3.569 -9.859 -9.008 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -2.812 -10.583 -9.709 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -4.701 -10.216 -8.633 1.00 0.00 O ATOM 0 H GLU A 89 -1.294 -7.465 -5.275 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.810 -6.890 -7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.608 -9.065 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.071 -8.402 -6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.930 -7.761 -8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.401 -8.133 -9.514 1.00 0.00 H new ATOM 1379 N ASP A 90 -2.293 -5.023 -8.672 1.00 0.00 N ATOM 1380 CA ASP A 90 -3.104 -3.943 -9.233 1.00 0.00 C ATOM 1381 C ASP A 90 -3.782 -3.072 -8.166 1.00 0.00 C ATOM 1382 O ASP A 90 -4.935 -2.656 -8.296 1.00 0.00 O ATOM 1383 CB ASP A 90 -4.034 -4.501 -10.329 1.00 0.00 C ATOM 1384 CG ASP A 90 -3.275 -5.018 -11.559 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -2.013 -4.943 -11.602 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -3.913 -5.460 -12.532 1.00 0.00 O ATOM 0 H ASP A 90 -1.393 -5.125 -9.141 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.446 -3.228 -9.727 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.632 -5.311 -9.912 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.728 -3.720 -10.640 1.00 0.00 H new ATOM 1391 N GLY A 91 -3.023 -2.738 -7.120 1.00 0.00 N ATOM 1392 CA GLY A 91 -3.444 -1.899 -6.016 1.00 0.00 C ATOM 1393 C GLY A 91 -4.853 -2.206 -5.498 1.00 0.00 C ATOM 1394 O GLY A 91 -5.113 -3.245 -4.894 1.00 0.00 O ATOM 0 H GLY A 91 -2.061 -3.062 -7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.735 -2.013 -5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.403 -0.856 -6.330 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.771 -1.267 -5.716 1.00 0.00 N ATOM 1399 CA ILE A 92 -7.158 -1.371 -5.286 1.00 0.00 C ATOM 1400 C ILE A 92 -7.896 -2.539 -5.935 1.00 0.00 C ATOM 1401 O ILE A 92 -8.772 -3.129 -5.294 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.840 0.001 -5.527 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.637 0.878 -4.280 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -9.321 -0.043 -5.947 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -8.492 0.464 -3.084 1.00 0.00 C ATOM 0 H ILE A 92 -5.565 -0.397 -6.206 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.194 -1.603 -4.222 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.349 0.432 -6.399 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.586 0.844 -3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.864 1.913 -4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.690 0.973 -6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.418 -0.596 -6.881 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.905 -0.537 -5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.291 1.131 -2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.547 0.525 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.249 -0.560 -2.800 1.00 0.00 H new ATOM 1417 N ASP A 93 -7.590 -2.863 -7.195 1.00 0.00 N ATOM 1418 CA ASP A 93 -8.272 -3.961 -7.866 1.00 0.00 C ATOM 1419 C ASP A 93 -7.970 -5.277 -7.155 1.00 0.00 C ATOM 1420 O ASP A 93 -8.866 -6.110 -7.052 1.00 0.00 O ATOM 1421 CB ASP A 93 -7.945 -4.019 -9.358 1.00 0.00 C ATOM 1422 CG ASP A 93 -8.874 -5.005 -10.066 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -10.109 -4.759 -10.108 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -8.403 -6.024 -10.603 1.00 0.00 O ATOM 0 H ASP A 93 -6.886 -2.387 -7.759 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.346 -3.782 -7.806 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.051 -3.028 -9.799 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.907 -4.321 -9.498 1.00 0.00 H new ATOM 1429 N GLY A 94 -6.766 -5.439 -6.596 1.00 0.00 N ATOM 1430 CA GLY A 94 -6.359 -6.633 -5.872 1.00 0.00 C ATOM 1431 C GLY A 94 -7.146 -6.753 -4.577 1.00 0.00 C ATOM 1432 O GLY A 94 -7.744 -7.799 -4.332 1.00 0.00 O ATOM 0 H GLY A 94 -6.038 -4.726 -6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.524 -7.516 -6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.292 -6.590 -5.655 1.00 0.00 H new ATOM 1436 N TRP A 95 -7.193 -5.692 -3.757 1.00 0.00 N ATOM 1437 CA TRP A 95 -7.945 -5.735 -2.498 1.00 0.00 C ATOM 1438 C TRP A 95 -9.387 -6.191 -2.797 1.00 0.00 C ATOM 1439 O TRP A 95 -9.938 -7.085 -2.151 1.00 0.00 O ATOM 1440 CB TRP A 95 -7.980 -4.382 -1.800 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.746 -4.404 -0.505 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.706 -3.515 -0.177 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -8.617 -5.295 0.660 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.139 -3.760 1.110 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -9.439 -4.779 1.704 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -7.823 -6.420 0.991 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -9.431 -5.292 3.009 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -7.782 -6.929 2.305 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -8.578 -6.360 3.319 1.00 0.00 C ATOM 0 H TRP A 95 -6.725 -4.805 -3.941 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.443 -6.435 -1.830 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.959 -4.054 -1.605 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.429 -3.647 -2.468 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.078 -2.733 -0.822 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -10.891 -3.244 1.566 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.236 -6.898 0.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.075 -4.869 3.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.135 -7.762 2.536 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -8.531 -6.744 4.327 1.00 0.00 H new ATOM 1460 N LYS A 96 -10.001 -5.568 -3.814 1.00 0.00 N ATOM 1461 CA LYS A 96 -11.359 -5.868 -4.255 1.00 0.00 C ATOM 1462 C LYS A 96 -11.462 -7.288 -4.827 1.00 0.00 C ATOM 1463 O LYS A 96 -12.508 -7.914 -4.659 1.00 0.00 O ATOM 1464 CB LYS A 96 -11.788 -4.798 -5.269 1.00 0.00 C ATOM 1465 CG LYS A 96 -13.230 -4.996 -5.753 1.00 0.00 C ATOM 1466 CD LYS A 96 -13.588 -3.944 -6.802 1.00 0.00 C ATOM 1467 CE LYS A 96 -14.891 -4.343 -7.496 1.00 0.00 C ATOM 1468 NZ LYS A 96 -15.152 -3.500 -8.676 1.00 0.00 N ATOM 0 H LYS A 96 -9.555 -4.830 -4.358 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.039 -5.841 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.692 -3.812 -4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.114 -4.822 -6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.345 -5.994 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.917 -4.926 -4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.698 -2.967 -6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.785 -3.856 -7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.838 -5.389 -7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.720 -4.256 -6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.043 -3.796 -9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.226 -2.505 -8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.372 -3.603 -9.356 1.00 0.00 H new ATOM 1482 N LYS A 97 -10.415 -7.833 -5.458 1.00 0.00 N ATOM 1483 CA LYS A 97 -10.387 -9.187 -6.031 1.00 0.00 C ATOM 1484 C LYS A 97 -10.750 -10.173 -4.921 1.00 0.00 C ATOM 1485 O LYS A 97 -11.626 -11.013 -5.117 1.00 0.00 O ATOM 1486 CB LYS A 97 -8.994 -9.479 -6.636 1.00 0.00 C ATOM 1487 CG LYS A 97 -8.948 -10.240 -7.977 1.00 0.00 C ATOM 1488 CD LYS A 97 -8.349 -11.650 -7.864 1.00 0.00 C ATOM 1489 CE LYS A 97 -7.899 -12.250 -9.204 1.00 0.00 C ATOM 1490 NZ LYS A 97 -6.729 -11.559 -9.801 1.00 0.00 N ATOM 0 H LYS A 97 -9.537 -7.330 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.108 -9.284 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.479 -8.528 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.422 -10.050 -5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.959 -10.315 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.363 -9.662 -8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.495 -11.617 -7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.088 -12.312 -7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.653 -13.302 -9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.731 -12.212 -9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.262 -12.192 -10.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.047 -10.699 -10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.057 -11.301 -9.050 1.00 0.00 H new ATOM 1504 N ALA A 98 -10.155 -10.000 -3.734 1.00 0.00 N ATOM 1505 CA ALA A 98 -10.398 -10.834 -2.558 1.00 0.00 C ATOM 1506 C ALA A 98 -11.822 -10.667 -1.988 1.00 0.00 C ATOM 1507 O ALA A 98 -12.172 -11.341 -1.019 1.00 0.00 O ATOM 1508 CB ALA A 98 -9.351 -10.512 -1.483 1.00 0.00 C ATOM 0 H ALA A 98 -9.476 -9.258 -3.564 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.311 -11.875 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.529 -11.132 -0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.354 -10.714 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.425 -9.460 -1.206 1.00 0.00 H new ATOM 1514 N GLY A 99 -12.637 -9.757 -2.535 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.009 -9.487 -2.124 1.00 0.00 C ATOM 1516 C GLY A 99 -14.125 -8.607 -0.882 1.00 0.00 C ATOM 1517 O GLY A 99 -15.217 -8.507 -0.314 1.00 0.00 O ATOM 0 H GLY A 99 -12.339 -9.165 -3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.536 -9.006 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.513 -10.434 -1.933 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.036 -7.968 -0.447 1.00 0.00 N ATOM 1522 CA LEU A 100 -13.014 -7.127 0.742 1.00 0.00 C ATOM 1523 C LEU A 100 -13.166 -5.645 0.386 1.00 0.00 C ATOM 1524 O LEU A 100 -12.539 -5.194 -0.578 1.00 0.00 O ATOM 1525 CB LEU A 100 -11.676 -7.356 1.459 1.00 0.00 C ATOM 1526 CG LEU A 100 -11.514 -8.786 2.013 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -10.052 -9.107 2.310 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -12.330 -8.950 3.297 1.00 0.00 C ATOM 0 H LEU A 100 -12.135 -8.024 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.852 -7.394 1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.861 -7.149 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.586 -6.644 2.280 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.876 -9.476 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.974 -10.122 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.468 -9.024 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.668 -8.405 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.208 -9.964 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.981 -8.236 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.383 -8.767 3.085 1.00 0.00 H new ATOM 1540 N PRO A 101 -13.960 -4.864 1.141 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.151 -3.443 0.892 1.00 0.00 C ATOM 1542 C PRO A 101 -13.060 -2.611 1.573 1.00 0.00 C ATOM 1543 O PRO A 101 -12.493 -3.013 2.590 1.00 0.00 O ATOM 1544 CB PRO A 101 -15.483 -3.102 1.561 1.00 0.00 C ATOM 1545 CG PRO A 101 -15.503 -4.035 2.774 1.00 0.00 C ATOM 1546 CD PRO A 101 -14.759 -5.281 2.285 1.00 0.00 C ATOM 0 HA PRO A 101 -14.123 -3.230 -0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.530 -2.054 1.856 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.328 -3.285 0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.008 -3.584 3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.522 -4.271 3.081 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.125 -5.688 3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.461 -6.066 2.003 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.776 -1.426 1.044 1.00 0.00 N ATOM 1555 CA VAL A 102 -11.796 -0.493 1.601 1.00 0.00 C ATOM 1556 C VAL A 102 -12.456 0.237 2.779 1.00 0.00 C ATOM 1557 O VAL A 102 -13.630 0.000 3.079 1.00 0.00 O ATOM 1558 CB VAL A 102 -11.414 0.545 0.527 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -10.741 -0.073 -0.690 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -12.616 1.399 0.092 1.00 0.00 C ATOM 0 H VAL A 102 -13.228 -1.078 0.199 1.00 0.00 H new ATOM 0 HA VAL A 102 -10.904 -1.028 1.926 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.684 1.196 1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.498 0.710 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.827 -0.580 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.416 -0.793 -1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.298 2.116 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.390 0.753 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.013 1.935 0.954 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.733 1.162 3.424 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.287 1.932 4.538 1.00 0.00 C ATOM 1572 C ALA A 103 -13.142 3.099 3.989 1.00 0.00 C ATOM 1573 O ALA A 103 -12.800 4.258 4.115 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.162 2.449 5.448 1.00 0.00 C ATOM 0 H ALA A 103 -10.767 1.392 3.192 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.927 1.285 5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.593 3.019 6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.600 1.605 5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.494 3.090 4.873 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.257 2.785 3.307 1.00 0.00 N ATOM 1581 CA VAL A 104 -15.144 3.812 2.759 1.00 0.00 C ATOM 1582 C VAL A 104 -16.030 4.315 3.902 1.00 0.00 C ATOM 1583 O VAL A 104 -16.565 3.516 4.668 1.00 0.00 O ATOM 1584 CB VAL A 104 -16.049 3.240 1.635 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.431 3.456 0.251 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.422 1.760 1.819 1.00 0.00 C ATOM 0 H VAL A 104 -14.560 1.828 3.125 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.543 4.614 2.330 1.00 0.00 H new ATOM 0 HB VAL A 104 -16.978 3.806 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.092 3.043 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.297 4.523 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.464 2.956 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.055 1.439 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.515 1.156 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -16.961 1.635 2.758 1.00 0.00 H new ATOM 1596 N ASN A 105 -16.171 5.644 4.038 1.00 0.00 N ATOM 1597 CA ASN A 105 -17.019 6.210 5.087 1.00 0.00 C ATOM 1598 C ASN A 105 -18.462 5.789 4.791 1.00 0.00 C ATOM 1599 O ASN A 105 -18.814 5.521 3.638 1.00 0.00 O ATOM 1600 CB ASN A 105 -16.874 7.733 5.183 1.00 0.00 C ATOM 1601 CG ASN A 105 -15.524 8.120 5.767 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -15.371 8.238 6.979 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -14.521 8.304 4.927 1.00 0.00 N ATOM 0 H ASN A 105 -15.714 6.334 3.442 1.00 0.00 H new ATOM 0 HA ASN A 105 -16.712 5.829 6.061 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.985 8.175 4.193 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -17.672 8.139 5.805 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -13.597 8.549 5.282 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -14.671 8.201 3.923 1.00 0.00 H new ATOM 1610 N LYS A 106 -19.311 5.721 5.812 1.00 0.00 N ATOM 1611 CA LYS A 106 -20.707 5.305 5.700 1.00 0.00 C ATOM 1612 C LYS A 106 -21.584 6.313 6.419 1.00 0.00 C ATOM 1613 O LYS A 106 -22.502 6.862 5.807 1.00 0.00 O ATOM 1614 CB LYS A 106 -20.820 3.892 6.305 1.00 0.00 C ATOM 1615 CG LYS A 106 -22.191 3.204 6.187 1.00 0.00 C ATOM 1616 CD LYS A 106 -22.252 2.202 5.026 1.00 0.00 C ATOM 1617 CE LYS A 106 -22.448 2.919 3.692 1.00 0.00 C ATOM 1618 NZ LYS A 106 -22.151 2.043 2.547 1.00 0.00 N ATOM 0 H LYS A 106 -19.041 5.960 6.766 1.00 0.00 H new ATOM 0 HA LYS A 106 -21.041 5.270 4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -20.076 3.255 5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -20.557 3.951 7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -22.415 2.687 7.120 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -22.963 3.961 6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -21.332 1.618 4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -23.070 1.501 5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -23.476 3.275 3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -21.803 3.797 3.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -22.296 2.568 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -21.163 1.723 2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -22.784 1.218 2.568 1.00 0.00 H new ATOM 1632 N SER A 107 -21.339 6.507 7.711 1.00 0.00 N ATOM 1633 CA SER A 107 -22.067 7.444 8.545 1.00 0.00 C ATOM 1634 C SER A 107 -21.323 8.782 8.509 1.00 0.00 C ATOM 1635 O SER A 107 -20.241 8.903 7.917 1.00 0.00 O ATOM 1636 CB SER A 107 -22.150 6.864 9.966 1.00 0.00 C ATOM 1637 OG SER A 107 -23.138 7.516 10.739 1.00 0.00 O ATOM 0 H SER A 107 -20.610 6.002 8.215 1.00 0.00 H new ATOM 0 HA SER A 107 -23.085 7.607 8.190 1.00 0.00 H new ATOM 0 HB2 SER A 107 -22.374 5.799 9.912 1.00 0.00 H new ATOM 0 HB3 SER A 107 -21.181 6.961 10.456 1.00 0.00 H new ATOM 0 HG SER A 107 -23.165 7.121 11.636 1.00 0.00 H new ATOM 1643 N GLN A 108 -21.915 9.805 9.109 1.00 0.00 N ATOM 1644 CA GLN A 108 -21.394 11.151 9.229 1.00 0.00 C ATOM 1645 C GLN A 108 -22.131 11.716 10.419 1.00 0.00 C ATOM 1646 O GLN A 108 -23.355 11.939 10.306 1.00 0.00 O ATOM 1647 CB GLN A 108 -21.600 11.987 7.952 1.00 0.00 C ATOM 1648 CG GLN A 108 -20.930 13.359 8.120 1.00 0.00 C ATOM 1649 CD GLN A 108 -20.922 14.159 6.820 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -21.974 14.486 6.272 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -19.756 14.511 6.312 1.00 0.00 N ATOM 0 H GLN A 108 -22.829 9.706 9.551 1.00 0.00 H new ATOM 0 HA GLN A 108 -20.313 11.165 9.365 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -21.176 11.467 7.093 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -22.665 12.113 7.755 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -21.454 13.925 8.890 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -19.906 13.221 8.466 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -18.892 14.233 6.777 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -19.719 15.061 5.454 1.00 0.00 H new TER 1660 GLN A 108