USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 782 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 56 LYS NZ :NH3+ -158:sc= 0.729 (180deg=0.00551) USER MOD Set 1.2: A 96 THR OG1 : rot 41:sc= 0.473 USER MOD Set 2.1: A 31 THR OG1 : rot 140:sc= -2.74! USER MOD Set 2.2: A 62 ASN : amide:sc= -7.94! C(o=-13!,f=-24!) USER MOD Set 2.3: A 63 LYS NZ :NH3+ -112:sc= -2.61! (180deg=-4.81!) USER MOD Set 3.1: A 52 ASN : amide:sc= -0.639 K(o=-4.2,f=-12!) USER MOD Set 3.2: A 68 LYS NZ :NH3+ -169:sc= -1.69! (180deg=-3.09!) USER MOD Set 3.3: A 83 THR OG1 : rot -170:sc= -1.83! USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.108) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0.00272 (180deg=0) USER MOD Single : A 7 SER OG : rot 101:sc= -0.134 USER MOD Single : A 10 LYS NZ :NH3+ 143:sc= -0.339 (180deg=-2.08!) USER MOD Single : A 13 THR OG1 : rot -70:sc= -3.64! USER MOD Single : A 17 GLN : amide:sc= -5.9! K(o=-5.9!,f=-2.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -119:sc= -0.655 (180deg=-2.19!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.769 (180deg=-1.61) USER MOD Single : A 32 ASN : amide:sc= -3.37! C(o=-3.4!,f=-3.7!) USER MOD Single : A 34 THR OG1 : rot -64:sc= 0.938 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -29.5! C(o=-29!,f=-34!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.825 USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= -0.287 (180deg=-1.52!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 100:sc= 0.381 USER MOD Single : A 53 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -69:sc= -1.32 USER MOD Single : A 66 HIS : no HD1:sc= -8.61! C(o=-8.6!,f=-13!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 21:sc= 0.861 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.69) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.72 X(o=-0.72,f=-0.91) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -4.87! C(o=-4.9!,f=-4.3!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.171 7.405 -11.444 1.00 0.00 N ATOM 2 CA MET A 1 -13.035 6.224 -10.546 1.00 0.00 C ATOM 3 C MET A 1 -12.162 5.167 -11.226 1.00 0.00 C ATOM 4 O MET A 1 -12.147 5.046 -12.434 1.00 0.00 O ATOM 5 CB MET A 1 -14.421 5.637 -10.262 1.00 0.00 C ATOM 6 CG MET A 1 -14.577 5.395 -8.759 1.00 0.00 C ATOM 7 SD MET A 1 -16.262 5.822 -8.254 1.00 0.00 S ATOM 8 CE MET A 1 -17.097 4.432 -9.056 1.00 0.00 C ATOM 0 H1 MET A 1 -13.952 8.006 -11.111 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.286 7.951 -11.436 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.371 7.083 -12.413 1.00 0.00 H new ATOM 0 HA MET A 1 -12.572 6.530 -9.608 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.195 6.319 -10.613 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.550 4.702 -10.807 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.368 4.351 -8.524 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.856 5.997 -8.206 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.140 4.404 -8.742 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.047 4.553 -10.138 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.607 3.500 -8.772 1.00 0.00 H new ATOM 20 N ILE A 2 -11.436 4.403 -10.459 1.00 0.00 N ATOM 21 CA ILE A 2 -10.564 3.354 -11.059 1.00 0.00 C ATOM 22 C ILE A 2 -10.527 2.143 -10.124 1.00 0.00 C ATOM 23 O ILE A 2 -9.555 1.931 -9.425 1.00 0.00 O ATOM 24 CB ILE A 2 -9.150 3.906 -11.239 1.00 0.00 C ATOM 25 CG1 ILE A 2 -8.252 2.815 -11.829 1.00 0.00 C ATOM 26 CG2 ILE A 2 -8.595 4.341 -9.882 1.00 0.00 C ATOM 27 CD1 ILE A 2 -8.290 2.895 -13.355 1.00 0.00 C ATOM 0 H ILE A 2 -11.408 4.459 -9.441 1.00 0.00 H new ATOM 0 HA ILE A 2 -10.959 3.057 -12.031 1.00 0.00 H new ATOM 0 HB ILE A 2 -9.176 4.763 -11.912 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.229 2.939 -11.473 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.589 1.833 -11.497 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.587 4.735 -10.011 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -9.235 5.115 -9.458 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -8.567 3.484 -9.209 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.651 2.119 -13.776 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.313 2.750 -13.702 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.933 3.873 -13.677 1.00 0.00 H new ATOM 39 N PRO A 3 -11.595 1.388 -10.136 1.00 0.00 N ATOM 40 CA PRO A 3 -11.731 0.190 -9.292 1.00 0.00 C ATOM 41 C PRO A 3 -10.938 -0.978 -9.882 1.00 0.00 C ATOM 42 O PRO A 3 -11.132 -1.366 -11.017 1.00 0.00 O ATOM 43 CB PRO A 3 -13.235 -0.098 -9.318 1.00 0.00 C ATOM 44 CG PRO A 3 -13.788 0.580 -10.594 1.00 0.00 C ATOM 45 CD PRO A 3 -12.767 1.659 -10.996 1.00 0.00 C ATOM 0 HA PRO A 3 -11.347 0.332 -8.282 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.425 -1.171 -9.335 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.722 0.297 -8.426 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.918 -0.148 -11.395 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.766 1.023 -10.405 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.510 1.590 -12.053 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.160 2.662 -10.829 1.00 0.00 H new ATOM 53 N GLY A 4 -10.048 -1.545 -9.113 1.00 0.00 N ATOM 54 CA GLY A 4 -9.244 -2.692 -9.618 1.00 0.00 C ATOM 55 C GLY A 4 -9.978 -3.990 -9.292 1.00 0.00 C ATOM 56 O GLY A 4 -10.521 -4.150 -8.217 1.00 0.00 O ATOM 0 H GLY A 4 -9.844 -1.262 -8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.095 -2.603 -10.694 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.256 -2.692 -9.158 1.00 0.00 H new ATOM 60 N GLY A 5 -10.016 -4.916 -10.209 1.00 0.00 N ATOM 61 CA GLY A 5 -10.735 -6.188 -9.930 1.00 0.00 C ATOM 62 C GLY A 5 -12.104 -5.850 -9.343 1.00 0.00 C ATOM 63 O GLY A 5 -12.442 -6.250 -8.248 1.00 0.00 O ATOM 0 H GLY A 5 -9.585 -4.848 -11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.848 -6.768 -10.846 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.164 -6.801 -9.232 1.00 0.00 H new ATOM 67 N LEU A 6 -12.892 -5.104 -10.061 1.00 0.00 N ATOM 68 CA LEU A 6 -14.236 -4.724 -9.554 1.00 0.00 C ATOM 69 C LEU A 6 -14.897 -5.924 -8.869 1.00 0.00 C ATOM 70 O LEU A 6 -14.477 -7.052 -9.032 1.00 0.00 O ATOM 71 CB LEU A 6 -15.097 -4.266 -10.733 1.00 0.00 C ATOM 72 CG LEU A 6 -14.678 -5.015 -12.001 1.00 0.00 C ATOM 73 CD1 LEU A 6 -15.920 -5.389 -12.811 1.00 0.00 C ATOM 74 CD2 LEU A 6 -13.772 -4.115 -12.845 1.00 0.00 C ATOM 0 H LEU A 6 -12.660 -4.738 -10.985 1.00 0.00 H new ATOM 0 HA LEU A 6 -14.138 -3.916 -8.829 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -16.150 -4.452 -10.521 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -14.987 -3.192 -10.881 1.00 0.00 H new ATOM 0 HG LEU A 6 -14.140 -5.922 -11.725 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -15.619 -5.922 -13.713 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -16.567 -6.028 -12.210 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -16.460 -4.484 -13.088 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -13.472 -4.646 -13.749 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -14.312 -3.209 -13.119 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -12.886 -3.849 -12.269 1.00 0.00 H new ATOM 86 N SER A 7 -15.930 -5.674 -8.104 1.00 0.00 N ATOM 87 CA SER A 7 -16.656 -6.771 -7.389 1.00 0.00 C ATOM 88 C SER A 7 -16.031 -7.013 -6.004 1.00 0.00 C ATOM 89 O SER A 7 -16.435 -6.408 -5.030 1.00 0.00 O ATOM 90 CB SER A 7 -16.637 -8.061 -8.220 1.00 0.00 C ATOM 91 OG SER A 7 -16.930 -7.747 -9.575 1.00 0.00 O ATOM 0 H SER A 7 -16.308 -4.741 -7.942 1.00 0.00 H new ATOM 0 HA SER A 7 -17.694 -6.466 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.661 -8.540 -8.148 1.00 0.00 H new ATOM 0 HB3 SER A 7 -17.369 -8.769 -7.832 1.00 0.00 H new ATOM 0 HG SER A 7 -16.098 -7.725 -10.093 1.00 0.00 H new ATOM 97 N GLU A 8 -15.067 -7.894 -5.889 1.00 0.00 N ATOM 98 CA GLU A 8 -14.465 -8.156 -4.552 1.00 0.00 C ATOM 99 C GLU A 8 -13.136 -7.428 -4.408 1.00 0.00 C ATOM 100 O GLU A 8 -12.086 -8.032 -4.335 1.00 0.00 O ATOM 101 CB GLU A 8 -14.258 -9.660 -4.363 1.00 0.00 C ATOM 102 CG GLU A 8 -15.510 -10.270 -3.731 1.00 0.00 C ATOM 103 CD GLU A 8 -15.855 -11.579 -4.441 1.00 0.00 C ATOM 104 OE1 GLU A 8 -15.020 -12.063 -5.188 1.00 0.00 O ATOM 105 OE2 GLU A 8 -16.948 -12.078 -4.227 1.00 0.00 O ATOM 0 H GLU A 8 -14.676 -8.437 -6.659 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.146 -7.785 -3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.054 -10.134 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.391 -9.842 -3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.342 -10.453 -2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.344 -9.573 -3.806 1.00 0.00 H new ATOM 112 N ALA A 9 -13.167 -6.132 -4.351 1.00 0.00 N ATOM 113 CA ALA A 9 -11.900 -5.388 -4.213 1.00 0.00 C ATOM 114 C ALA A 9 -12.162 -4.003 -3.611 1.00 0.00 C ATOM 115 O ALA A 9 -12.961 -3.241 -4.116 1.00 0.00 O ATOM 116 CB ALA A 9 -11.282 -5.252 -5.600 1.00 0.00 C ATOM 0 H ALA A 9 -14.011 -5.561 -4.394 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.220 -5.920 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.342 -4.705 -5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.094 -6.243 -6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.967 -4.711 -6.252 1.00 0.00 H new ATOM 122 N LYS A 10 -11.494 -3.666 -2.532 1.00 0.00 N ATOM 123 CA LYS A 10 -11.724 -2.327 -1.914 1.00 0.00 C ATOM 124 C LYS A 10 -10.510 -1.411 -2.136 1.00 0.00 C ATOM 125 O LYS A 10 -9.408 -1.871 -2.353 1.00 0.00 O ATOM 126 CB LYS A 10 -11.988 -2.486 -0.416 1.00 0.00 C ATOM 127 CG LYS A 10 -13.485 -2.323 -0.141 1.00 0.00 C ATOM 128 CD LYS A 10 -14.133 -3.700 0.002 1.00 0.00 C ATOM 129 CE LYS A 10 -15.539 -3.670 -0.605 1.00 0.00 C ATOM 130 NZ LYS A 10 -15.464 -3.173 -2.008 1.00 0.00 N ATOM 0 H LYS A 10 -10.808 -4.255 -2.060 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.593 -1.871 -2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.650 -3.466 -0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.421 -1.743 0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.637 -1.742 0.769 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.956 -1.771 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.525 -4.453 -0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.186 -3.981 1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.977 -4.668 -0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.188 -3.025 -0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.152 -3.687 -2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.682 -2.156 -2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.506 -3.329 -2.381 1.00 0.00 H new ATOM 144 N PRO A 11 -10.766 -0.126 -2.085 1.00 0.00 N ATOM 145 CA PRO A 11 -9.734 0.907 -2.306 1.00 0.00 C ATOM 146 C PRO A 11 -8.744 0.987 -1.142 1.00 0.00 C ATOM 147 O PRO A 11 -9.054 1.479 -0.075 1.00 0.00 O ATOM 148 CB PRO A 11 -10.539 2.202 -2.443 1.00 0.00 C ATOM 149 CG PRO A 11 -11.901 1.943 -1.759 1.00 0.00 C ATOM 150 CD PRO A 11 -12.107 0.417 -1.774 1.00 0.00 C ATOM 0 HA PRO A 11 -9.119 0.695 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.019 3.035 -1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.675 2.466 -3.492 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.903 2.326 -0.738 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.706 2.450 -2.291 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.470 0.055 -0.812 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.840 0.121 -2.524 1.00 0.00 H new ATOM 158 N ALA A 12 -7.545 0.519 -1.369 1.00 0.00 N ATOM 159 CA ALA A 12 -6.482 0.557 -0.323 1.00 0.00 C ATOM 160 C ALA A 12 -7.072 0.371 1.081 1.00 0.00 C ATOM 161 O ALA A 12 -7.542 1.312 1.690 1.00 0.00 O ATOM 162 CB ALA A 12 -5.765 1.898 -0.371 1.00 0.00 C ATOM 0 H ALA A 12 -7.253 0.104 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.787 -0.258 -0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.989 1.923 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.311 2.033 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.480 2.700 -0.189 1.00 0.00 H new ATOM 168 N THR A 13 -7.024 -0.817 1.620 1.00 0.00 N ATOM 169 CA THR A 13 -7.555 -1.026 3.002 1.00 0.00 C ATOM 170 C THR A 13 -6.562 -0.414 3.990 1.00 0.00 C ATOM 171 O THR A 13 -5.486 -0.009 3.603 1.00 0.00 O ATOM 172 CB THR A 13 -7.701 -2.524 3.283 1.00 0.00 C ATOM 173 OG1 THR A 13 -7.272 -3.265 2.151 1.00 0.00 O ATOM 174 CG2 THR A 13 -9.166 -2.849 3.590 1.00 0.00 C ATOM 0 H THR A 13 -6.643 -1.649 1.168 1.00 0.00 H new ATOM 0 HA THR A 13 -8.533 -0.555 3.104 1.00 0.00 H new ATOM 0 HB THR A 13 -7.086 -2.793 4.142 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.919 -3.154 1.423 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.268 -3.916 3.790 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.489 -2.284 4.464 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.785 -2.579 2.735 1.00 0.00 H new ATOM 182 N PRO A 14 -6.929 -0.393 5.243 1.00 0.00 N ATOM 183 CA PRO A 14 -6.051 0.129 6.299 1.00 0.00 C ATOM 184 C PRO A 14 -4.981 -0.928 6.581 1.00 0.00 C ATOM 185 O PRO A 14 -4.061 -0.731 7.349 1.00 0.00 O ATOM 186 CB PRO A 14 -6.991 0.323 7.491 1.00 0.00 C ATOM 187 CG PRO A 14 -8.209 -0.598 7.237 1.00 0.00 C ATOM 188 CD PRO A 14 -8.230 -0.892 5.723 1.00 0.00 C ATOM 0 HA PRO A 14 -5.534 1.056 6.052 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.494 0.062 8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.302 1.364 7.576 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.123 -1.521 7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.134 -0.113 7.551 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.346 -1.958 5.525 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.059 -0.384 5.230 1.00 0.00 H new ATOM 196 N GLU A 15 -5.120 -2.054 5.933 1.00 0.00 N ATOM 197 CA GLU A 15 -4.171 -3.177 6.080 1.00 0.00 C ATOM 198 C GLU A 15 -3.302 -3.229 4.827 1.00 0.00 C ATOM 199 O GLU A 15 -2.092 -3.125 4.876 1.00 0.00 O ATOM 200 CB GLU A 15 -5.000 -4.454 6.164 1.00 0.00 C ATOM 201 CG GLU A 15 -4.120 -5.677 5.894 1.00 0.00 C ATOM 202 CD GLU A 15 -4.946 -6.950 6.087 1.00 0.00 C ATOM 203 OE1 GLU A 15 -6.140 -6.832 6.303 1.00 0.00 O ATOM 204 OE2 GLU A 15 -4.368 -8.023 6.017 1.00 0.00 O ATOM 0 H GLU A 15 -5.885 -2.240 5.285 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.542 -3.063 6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.455 -4.536 7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.814 -4.416 5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.725 -5.637 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.265 -5.679 6.569 1.00 0.00 H new ATOM 211 N ILE A 16 -3.938 -3.389 3.705 1.00 0.00 N ATOM 212 CA ILE A 16 -3.203 -3.447 2.412 1.00 0.00 C ATOM 213 C ILE A 16 -2.364 -2.189 2.253 1.00 0.00 C ATOM 214 O ILE A 16 -1.214 -2.240 1.876 1.00 0.00 O ATOM 215 CB ILE A 16 -4.213 -3.515 1.269 1.00 0.00 C ATOM 216 CG1 ILE A 16 -5.097 -4.746 1.474 1.00 0.00 C ATOM 217 CG2 ILE A 16 -3.473 -3.624 -0.067 1.00 0.00 C ATOM 218 CD1 ILE A 16 -4.293 -6.011 1.156 1.00 0.00 C ATOM 0 H ILE A 16 -4.951 -3.484 3.626 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.558 -4.325 2.395 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.827 -2.614 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.458 -4.781 2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.974 -4.688 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.197 -3.672 -0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.834 -2.751 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.861 -4.526 -0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.923 -6.889 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.954 -5.976 0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.430 -6.070 1.819 1.00 0.00 H new ATOM 230 N GLN A 17 -2.935 -1.058 2.533 1.00 0.00 N ATOM 231 CA GLN A 17 -2.171 0.202 2.395 1.00 0.00 C ATOM 232 C GLN A 17 -0.943 0.145 3.303 1.00 0.00 C ATOM 233 O GLN A 17 0.075 0.748 3.024 1.00 0.00 O ATOM 234 CB GLN A 17 -3.062 1.386 2.769 1.00 0.00 C ATOM 235 CG GLN A 17 -3.238 1.459 4.287 1.00 0.00 C ATOM 236 CD GLN A 17 -2.526 2.703 4.816 1.00 0.00 C ATOM 237 OE1 GLN A 17 -3.031 3.386 5.685 1.00 0.00 O ATOM 238 NE2 GLN A 17 -1.364 3.031 4.320 1.00 0.00 N ATOM 0 H GLN A 17 -3.898 -0.952 2.852 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.844 0.328 1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.620 2.313 2.402 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.035 1.284 2.288 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.297 1.496 4.541 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.829 0.564 4.756 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.941 2.457 3.591 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.879 3.861 4.662 1.00 0.00 H new ATOM 247 N GLU A 18 -1.018 -0.594 4.379 1.00 0.00 N ATOM 248 CA GLU A 18 0.160 -0.700 5.282 1.00 0.00 C ATOM 249 C GLU A 18 1.282 -1.402 4.520 1.00 0.00 C ATOM 250 O GLU A 18 2.447 -1.097 4.684 1.00 0.00 O ATOM 251 CB GLU A 18 -0.215 -1.509 6.526 1.00 0.00 C ATOM 252 CG GLU A 18 0.268 -0.776 7.781 1.00 0.00 C ATOM 253 CD GLU A 18 0.415 -1.776 8.929 1.00 0.00 C ATOM 254 OE1 GLU A 18 0.507 -2.960 8.650 1.00 0.00 O ATOM 255 OE2 GLU A 18 0.433 -1.341 10.069 1.00 0.00 O ATOM 0 H GLU A 18 -1.840 -1.125 4.668 1.00 0.00 H new ATOM 0 HA GLU A 18 0.486 0.291 5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.295 -1.650 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.235 -2.501 6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.223 -0.287 7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.440 0.006 8.054 1.00 0.00 H new ATOM 262 N ILE A 19 0.932 -2.327 3.668 1.00 0.00 N ATOM 263 CA ILE A 19 1.971 -3.028 2.867 1.00 0.00 C ATOM 264 C ILE A 19 2.692 -1.982 2.022 1.00 0.00 C ATOM 265 O ILE A 19 3.882 -2.050 1.788 1.00 0.00 O ATOM 266 CB ILE A 19 1.296 -4.074 1.956 1.00 0.00 C ATOM 267 CG1 ILE A 19 2.275 -5.222 1.702 1.00 0.00 C ATOM 268 CG2 ILE A 19 0.891 -3.447 0.611 1.00 0.00 C ATOM 269 CD1 ILE A 19 3.492 -4.690 0.944 1.00 0.00 C ATOM 0 H ILE A 19 -0.027 -2.626 3.493 1.00 0.00 H new ATOM 0 HA ILE A 19 2.681 -3.541 3.516 1.00 0.00 H new ATOM 0 HB ILE A 19 0.398 -4.444 2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.587 -5.665 2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.789 -6.009 1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.417 -4.203 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.191 -2.630 0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.778 -3.063 0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.192 -5.505 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.171 -4.267 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.981 -3.918 1.538 1.00 0.00 H new ATOM 281 N VAL A 20 1.953 -1.012 1.566 1.00 0.00 N ATOM 282 CA VAL A 20 2.539 0.066 0.731 1.00 0.00 C ATOM 283 C VAL A 20 3.459 0.928 1.596 1.00 0.00 C ATOM 284 O VAL A 20 4.363 1.565 1.106 1.00 0.00 O ATOM 285 CB VAL A 20 1.396 0.910 0.159 1.00 0.00 C ATOM 286 CG1 VAL A 20 1.914 2.283 -0.290 1.00 0.00 C ATOM 287 CG2 VAL A 20 0.783 0.179 -1.036 1.00 0.00 C ATOM 0 H VAL A 20 0.952 -0.921 1.740 1.00 0.00 H new ATOM 0 HA VAL A 20 3.123 -0.355 -0.087 1.00 0.00 H new ATOM 0 HB VAL A 20 0.642 1.058 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.088 2.869 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.347 2.805 0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.675 2.151 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.032 0.775 -1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.545 0.028 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.398 -0.788 -0.712 1.00 0.00 H new ATOM 297 N ASP A 21 3.237 0.950 2.880 1.00 0.00 N ATOM 298 CA ASP A 21 4.105 1.769 3.771 1.00 0.00 C ATOM 299 C ASP A 21 5.143 0.868 4.448 1.00 0.00 C ATOM 300 O ASP A 21 5.991 1.331 5.186 1.00 0.00 O ATOM 301 CB ASP A 21 3.247 2.452 4.838 1.00 0.00 C ATOM 302 CG ASP A 21 3.976 3.690 5.364 1.00 0.00 C ATOM 303 OD1 ASP A 21 5.041 3.525 5.935 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.458 4.779 5.187 1.00 0.00 O ATOM 0 H ASP A 21 2.492 0.436 3.351 1.00 0.00 H new ATOM 0 HA ASP A 21 4.616 2.527 3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.283 2.736 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.046 1.760 5.656 1.00 0.00 H new ATOM 309 N LYS A 22 5.087 -0.414 4.206 1.00 0.00 N ATOM 310 CA LYS A 22 6.073 -1.333 4.843 1.00 0.00 C ATOM 311 C LYS A 22 7.096 -1.794 3.801 1.00 0.00 C ATOM 312 O LYS A 22 8.268 -1.488 3.893 1.00 0.00 O ATOM 313 CB LYS A 22 5.347 -2.549 5.415 1.00 0.00 C ATOM 314 CG LYS A 22 6.015 -2.967 6.726 1.00 0.00 C ATOM 315 CD LYS A 22 5.716 -1.926 7.806 1.00 0.00 C ATOM 316 CE LYS A 22 6.461 -2.293 9.091 1.00 0.00 C ATOM 317 NZ LYS A 22 5.491 -2.397 10.218 1.00 0.00 N ATOM 0 H LYS A 22 4.403 -0.863 3.597 1.00 0.00 H new ATOM 0 HA LYS A 22 6.587 -0.806 5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.297 -2.312 5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.374 -3.372 4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.648 -3.945 7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.092 -3.060 6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.021 -0.936 7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.644 -1.881 7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.986 -3.239 8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.215 -1.538 9.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.998 -2.646 11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.009 -1.484 10.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.788 -3.133 10.004 1.00 0.00 H new ATOM 331 N VAL A 23 6.665 -2.528 2.811 1.00 0.00 N ATOM 332 CA VAL A 23 7.612 -3.001 1.765 1.00 0.00 C ATOM 333 C VAL A 23 7.778 -1.913 0.707 1.00 0.00 C ATOM 334 O VAL A 23 8.654 -1.974 -0.132 1.00 0.00 O ATOM 335 CB VAL A 23 7.053 -4.261 1.112 1.00 0.00 C ATOM 336 CG1 VAL A 23 7.832 -4.566 -0.166 1.00 0.00 C ATOM 337 CG2 VAL A 23 7.188 -5.430 2.079 1.00 0.00 C ATOM 0 H VAL A 23 5.696 -2.820 2.683 1.00 0.00 H new ATOM 0 HA VAL A 23 8.579 -3.222 2.217 1.00 0.00 H new ATOM 0 HB VAL A 23 6.002 -4.107 0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.431 -5.467 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.739 -3.729 -0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.883 -4.721 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.790 -6.333 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.240 -5.581 2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.632 -5.214 2.991 1.00 0.00 H new ATOM 347 N LYS A 24 6.940 -0.916 0.744 1.00 0.00 N ATOM 348 CA LYS A 24 7.044 0.181 -0.253 1.00 0.00 C ATOM 349 C LYS A 24 7.060 1.523 0.492 1.00 0.00 C ATOM 350 O LYS A 24 6.281 2.404 0.190 1.00 0.00 O ATOM 351 CB LYS A 24 5.829 0.127 -1.188 1.00 0.00 C ATOM 352 CG LYS A 24 5.339 -1.317 -1.321 1.00 0.00 C ATOM 353 CD LYS A 24 4.435 -1.442 -2.549 1.00 0.00 C ATOM 354 CE LYS A 24 4.711 -2.771 -3.255 1.00 0.00 C ATOM 355 NZ LYS A 24 3.819 -3.827 -2.701 1.00 0.00 N ATOM 0 H LYS A 24 6.186 -0.814 1.424 1.00 0.00 H new ATOM 0 HA LYS A 24 7.957 0.073 -0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.030 0.757 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.096 0.522 -2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.189 -1.993 -1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.794 -1.611 -0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.388 -1.388 -2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.615 -0.612 -3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.544 -2.666 -4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.755 -3.055 -3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.396 -4.582 -2.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.202 -3.413 -1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.236 -4.224 -3.465 1.00 0.00 H new ATOM 369 N PRO A 25 7.951 1.637 1.454 1.00 0.00 N ATOM 370 CA PRO A 25 8.081 2.859 2.278 1.00 0.00 C ATOM 371 C PRO A 25 8.660 4.013 1.467 1.00 0.00 C ATOM 372 O PRO A 25 8.812 5.115 1.956 1.00 0.00 O ATOM 373 CB PRO A 25 9.023 2.439 3.406 1.00 0.00 C ATOM 374 CG PRO A 25 9.807 1.219 2.878 1.00 0.00 C ATOM 375 CD PRO A 25 8.921 0.576 1.796 1.00 0.00 C ATOM 0 HA PRO A 25 7.122 3.222 2.648 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.699 3.251 3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.464 2.183 4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.768 1.523 2.464 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.015 0.512 3.681 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.506 0.275 0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.421 -0.318 2.169 1.00 0.00 H new ATOM 383 N GLN A 26 8.943 3.786 0.222 1.00 0.00 N ATOM 384 CA GLN A 26 9.458 4.879 -0.629 1.00 0.00 C ATOM 385 C GLN A 26 8.370 5.148 -1.637 1.00 0.00 C ATOM 386 O GLN A 26 7.984 6.259 -1.877 1.00 0.00 O ATOM 387 CB GLN A 26 10.740 4.436 -1.339 1.00 0.00 C ATOM 388 CG GLN A 26 11.505 3.458 -0.445 1.00 0.00 C ATOM 389 CD GLN A 26 12.953 3.350 -0.927 1.00 0.00 C ATOM 390 OE1 GLN A 26 13.208 2.900 -2.026 1.00 0.00 O ATOM 391 NE2 GLN A 26 13.919 3.748 -0.145 1.00 0.00 N ATOM 0 H GLN A 26 8.839 2.885 -0.244 1.00 0.00 H new ATOM 0 HA GLN A 26 9.701 5.768 -0.047 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.497 3.962 -2.290 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.362 5.302 -1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.480 3.799 0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.029 2.478 -0.469 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.705 4.126 0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.888 3.681 -0.457 1.00 0.00 H new ATOM 400 N LEU A 27 7.847 4.107 -2.193 1.00 0.00 N ATOM 401 CA LEU A 27 6.752 4.234 -3.173 1.00 0.00 C ATOM 402 C LEU A 27 5.548 4.914 -2.511 1.00 0.00 C ATOM 403 O LEU A 27 4.663 5.424 -3.168 1.00 0.00 O ATOM 404 CB LEU A 27 6.367 2.817 -3.578 1.00 0.00 C ATOM 405 CG LEU A 27 7.453 2.171 -4.458 1.00 0.00 C ATOM 406 CD1 LEU A 27 7.120 2.441 -5.919 1.00 0.00 C ATOM 407 CD2 LEU A 27 8.851 2.732 -4.161 1.00 0.00 C ATOM 0 H LEU A 27 8.140 3.148 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 27 7.059 4.828 -4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.212 2.211 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.421 2.836 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 27 7.468 1.103 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.881 1.989 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.147 2.011 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.093 3.517 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.583 2.246 -4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.859 3.806 -4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.105 2.543 -3.118 1.00 0.00 H new ATOM 419 N GLU A 28 5.508 4.893 -1.209 1.00 0.00 N ATOM 420 CA GLU A 28 4.360 5.499 -0.466 1.00 0.00 C ATOM 421 C GLU A 28 4.643 6.955 -0.075 1.00 0.00 C ATOM 422 O GLU A 28 3.770 7.648 0.410 1.00 0.00 O ATOM 423 CB GLU A 28 4.101 4.683 0.802 1.00 0.00 C ATOM 424 CG GLU A 28 2.822 5.183 1.476 1.00 0.00 C ATOM 425 CD GLU A 28 3.183 6.116 2.634 1.00 0.00 C ATOM 426 OE1 GLU A 28 4.245 6.714 2.578 1.00 0.00 O ATOM 427 OE2 GLU A 28 2.391 6.217 3.555 1.00 0.00 O ATOM 0 H GLU A 28 6.228 4.478 -0.618 1.00 0.00 H new ATOM 0 HA GLU A 28 3.488 5.487 -1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.005 3.626 0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.945 4.775 1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.199 5.709 0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.239 4.339 1.844 1.00 0.00 H new ATOM 434 N GLU A 29 5.839 7.434 -0.272 1.00 0.00 N ATOM 435 CA GLU A 29 6.138 8.847 0.102 1.00 0.00 C ATOM 436 C GLU A 29 7.064 9.412 -0.957 1.00 0.00 C ATOM 437 O GLU A 29 7.895 10.263 -0.706 1.00 0.00 O ATOM 438 CB GLU A 29 6.826 8.888 1.468 1.00 0.00 C ATOM 439 CG GLU A 29 8.166 8.153 1.387 1.00 0.00 C ATOM 440 CD GLU A 29 9.106 8.681 2.473 1.00 0.00 C ATOM 441 OE1 GLU A 29 9.063 8.156 3.573 1.00 0.00 O ATOM 442 OE2 GLU A 29 9.852 9.604 2.185 1.00 0.00 O ATOM 0 H GLU A 29 6.619 6.913 -0.673 1.00 0.00 H new ATOM 0 HA GLU A 29 5.220 9.432 0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.984 9.921 1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.190 8.424 2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.013 7.081 1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.613 8.297 0.403 1.00 0.00 H new ATOM 449 N LYS A 30 6.928 8.905 -2.138 1.00 0.00 N ATOM 450 CA LYS A 30 7.784 9.339 -3.258 1.00 0.00 C ATOM 451 C LYS A 30 6.929 10.054 -4.278 1.00 0.00 C ATOM 452 O LYS A 30 7.085 11.234 -4.527 1.00 0.00 O ATOM 453 CB LYS A 30 8.376 8.084 -3.875 1.00 0.00 C ATOM 454 CG LYS A 30 9.671 8.421 -4.617 1.00 0.00 C ATOM 455 CD LYS A 30 9.362 8.675 -6.094 1.00 0.00 C ATOM 456 CE LYS A 30 8.756 7.412 -6.714 1.00 0.00 C ATOM 457 NZ LYS A 30 9.375 6.207 -6.094 1.00 0.00 N ATOM 0 H LYS A 30 6.242 8.190 -2.379 1.00 0.00 H new ATOM 0 HA LYS A 30 8.572 10.013 -2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.575 7.347 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.660 7.636 -4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.137 9.302 -4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.383 7.601 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.669 9.510 -6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.273 8.952 -6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.677 7.400 -6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.924 7.407 -7.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.206 5.379 -6.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.399 6.357 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.953 6.042 -5.158 1.00 0.00 H new ATOM 471 N THR A 31 6.005 9.351 -4.856 1.00 0.00 N ATOM 472 CA THR A 31 5.106 9.984 -5.841 1.00 0.00 C ATOM 473 C THR A 31 4.641 11.309 -5.247 1.00 0.00 C ATOM 474 O THR A 31 4.384 12.267 -5.947 1.00 0.00 O ATOM 475 CB THR A 31 3.926 9.043 -6.092 1.00 0.00 C ATOM 476 OG1 THR A 31 3.382 9.298 -7.378 1.00 0.00 O ATOM 477 CG2 THR A 31 2.844 9.240 -5.026 1.00 0.00 C ATOM 0 H THR A 31 5.835 8.360 -4.686 1.00 0.00 H new ATOM 0 HA THR A 31 5.604 10.170 -6.793 1.00 0.00 H new ATOM 0 HB THR A 31 4.281 8.014 -6.041 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.146 8.449 -7.808 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.013 8.562 -5.221 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.261 9.029 -4.041 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.487 10.269 -5.056 1.00 0.00 H new ATOM 485 N ASN A 32 4.574 11.352 -3.936 1.00 0.00 N ATOM 486 CA ASN A 32 4.170 12.592 -3.221 1.00 0.00 C ATOM 487 C ASN A 32 3.163 13.375 -4.066 1.00 0.00 C ATOM 488 O ASN A 32 3.225 14.584 -4.164 1.00 0.00 O ATOM 489 CB ASN A 32 5.425 13.433 -2.960 1.00 0.00 C ATOM 490 CG ASN A 32 5.813 14.205 -4.225 1.00 0.00 C ATOM 491 OD1 ASN A 32 6.333 13.636 -5.162 1.00 0.00 O ATOM 492 ND2 ASN A 32 5.580 15.487 -4.288 1.00 0.00 N ATOM 0 H ASN A 32 4.787 10.562 -3.327 1.00 0.00 H new ATOM 0 HA ASN A 32 3.695 12.343 -2.272 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.242 14.129 -2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.247 12.787 -2.652 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.835 16.011 -5.125 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.143 15.965 -3.500 1.00 0.00 H new ATOM 499 N GLU A 33 2.241 12.689 -4.684 1.00 0.00 N ATOM 500 CA GLU A 33 1.237 13.391 -5.529 1.00 0.00 C ATOM 501 C GLU A 33 0.392 14.318 -4.653 1.00 0.00 C ATOM 502 O GLU A 33 0.352 14.179 -3.446 1.00 0.00 O ATOM 503 CB GLU A 33 0.330 12.362 -6.205 1.00 0.00 C ATOM 504 CG GLU A 33 0.165 12.721 -7.684 1.00 0.00 C ATOM 505 CD GLU A 33 1.506 12.552 -8.405 1.00 0.00 C ATOM 506 OE1 GLU A 33 2.494 12.323 -7.730 1.00 0.00 O ATOM 507 OE2 GLU A 33 1.518 12.656 -9.621 1.00 0.00 O ATOM 0 H GLU A 33 2.140 11.675 -4.640 1.00 0.00 H new ATOM 0 HA GLU A 33 1.750 13.978 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.758 11.364 -6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.643 12.341 -5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.589 12.081 -8.142 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.186 13.748 -7.783 1.00 0.00 H new ATOM 514 N THR A 34 -0.292 15.257 -5.249 1.00 0.00 N ATOM 515 CA THR A 34 -1.139 16.182 -4.442 1.00 0.00 C ATOM 516 C THR A 34 -2.533 15.572 -4.283 1.00 0.00 C ATOM 517 O THR A 34 -3.537 16.258 -4.310 1.00 0.00 O ATOM 518 CB THR A 34 -1.244 17.538 -5.143 1.00 0.00 C ATOM 519 OG1 THR A 34 -2.365 18.247 -4.634 1.00 0.00 O ATOM 520 CG2 THR A 34 -1.412 17.329 -6.646 1.00 0.00 C ATOM 0 H THR A 34 -0.301 15.423 -6.255 1.00 0.00 H new ATOM 0 HA THR A 34 -0.688 16.327 -3.461 1.00 0.00 H new ATOM 0 HB THR A 34 -0.335 18.111 -4.959 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.187 17.760 -4.853 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.486 18.297 -7.142 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.551 16.787 -7.036 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.319 16.754 -6.834 1.00 0.00 H new ATOM 528 N TYR A 35 -2.595 14.281 -4.113 1.00 0.00 N ATOM 529 CA TYR A 35 -3.906 13.600 -3.942 1.00 0.00 C ATOM 530 C TYR A 35 -3.738 12.447 -2.963 1.00 0.00 C ATOM 531 O TYR A 35 -2.833 12.428 -2.152 1.00 0.00 O ATOM 532 CB TYR A 35 -4.378 13.023 -5.279 1.00 0.00 C ATOM 533 CG TYR A 35 -3.958 13.928 -6.414 1.00 0.00 C ATOM 534 CD1 TYR A 35 -4.575 15.173 -6.582 1.00 0.00 C ATOM 535 CD2 TYR A 35 -2.956 13.519 -7.303 1.00 0.00 C ATOM 536 CE1 TYR A 35 -4.195 16.007 -7.641 1.00 0.00 C ATOM 537 CE2 TYR A 35 -2.575 14.354 -8.361 1.00 0.00 C ATOM 538 CZ TYR A 35 -3.193 15.598 -8.530 1.00 0.00 C ATOM 539 OH TYR A 35 -2.820 16.418 -9.573 1.00 0.00 O ATOM 0 H TYR A 35 -1.784 13.663 -4.085 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.635 14.322 -3.574 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.957 12.028 -5.423 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.462 12.913 -5.274 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.345 15.491 -5.894 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.477 12.560 -7.173 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.675 16.966 -7.772 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.803 14.037 -9.047 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.112 15.984 -10.093 1.00 0.00 H new ATOM 549 N GLY A 36 -4.591 11.473 -3.058 1.00 0.00 N ATOM 550 CA GLY A 36 -4.482 10.295 -2.164 1.00 0.00 C ATOM 551 C GLY A 36 -4.105 9.088 -3.017 1.00 0.00 C ATOM 552 O GLY A 36 -4.910 8.209 -3.254 1.00 0.00 O ATOM 0 H GLY A 36 -5.365 11.442 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.729 10.468 -1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.427 10.118 -1.650 1.00 0.00 H new ATOM 556 N LYS A 37 -2.887 9.033 -3.484 1.00 0.00 N ATOM 557 CA LYS A 37 -2.468 7.886 -4.313 1.00 0.00 C ATOM 558 C LYS A 37 -1.104 7.455 -3.795 1.00 0.00 C ATOM 559 O LYS A 37 -0.253 6.993 -4.507 1.00 0.00 O ATOM 560 CB LYS A 37 -2.376 8.319 -5.776 1.00 0.00 C ATOM 561 CG LYS A 37 -3.781 8.425 -6.372 1.00 0.00 C ATOM 562 CD LYS A 37 -3.725 9.248 -7.661 1.00 0.00 C ATOM 563 CE LYS A 37 -4.610 10.487 -7.515 1.00 0.00 C ATOM 564 NZ LYS A 37 -5.712 10.433 -8.515 1.00 0.00 N ATOM 0 H LYS A 37 -2.168 9.739 -3.322 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.180 7.063 -4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.866 9.279 -5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.784 7.600 -6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.176 7.431 -6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.457 8.894 -5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.697 9.545 -7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.061 8.645 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.022 10.536 -6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.017 11.390 -7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.313 11.276 -8.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.310 10.406 -9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.284 9.579 -8.356 1.00 0.00 H new ATOM 578 N LEU A 38 -0.902 7.646 -2.540 1.00 0.00 N ATOM 579 CA LEU A 38 0.372 7.314 -1.901 1.00 0.00 C ATOM 580 C LEU A 38 0.113 6.184 -0.922 1.00 0.00 C ATOM 581 O LEU A 38 0.255 6.344 0.269 1.00 0.00 O ATOM 582 CB LEU A 38 0.794 8.537 -1.116 1.00 0.00 C ATOM 583 CG LEU A 38 0.448 9.836 -1.875 1.00 0.00 C ATOM 584 CD1 LEU A 38 0.539 9.650 -3.393 1.00 0.00 C ATOM 585 CD2 LEU A 38 -0.947 10.326 -1.480 1.00 0.00 C ATOM 0 H LEU A 38 -1.600 8.036 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 38 1.132 7.024 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.299 8.537 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.867 8.498 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 38 1.184 10.589 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.288 10.587 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.553 9.356 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.159 8.874 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.178 11.243 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.684 9.562 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.974 10.522 -0.408 1.00 0.00 H new ATOM 597 N GLU A 39 -0.325 5.066 -1.406 1.00 0.00 N ATOM 598 CA GLU A 39 -0.665 3.954 -0.492 1.00 0.00 C ATOM 599 C GLU A 39 -1.117 2.768 -1.336 1.00 0.00 C ATOM 600 O GLU A 39 -0.751 2.646 -2.487 1.00 0.00 O ATOM 601 CB GLU A 39 -1.813 4.430 0.401 1.00 0.00 C ATOM 602 CG GLU A 39 -1.460 4.197 1.873 1.00 0.00 C ATOM 603 CD GLU A 39 -0.657 5.379 2.414 1.00 0.00 C ATOM 604 OE1 GLU A 39 -1.129 6.498 2.295 1.00 0.00 O ATOM 605 OE2 GLU A 39 0.418 5.147 2.939 1.00 0.00 O ATOM 0 H GLU A 39 -0.463 4.873 -2.398 1.00 0.00 H new ATOM 0 HA GLU A 39 0.186 3.657 0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.005 5.489 0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.728 3.894 0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.371 4.068 2.457 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.883 3.278 1.976 1.00 0.00 H new ATOM 612 N ALA A 40 -1.925 1.914 -0.798 1.00 0.00 N ATOM 613 CA ALA A 40 -2.410 0.768 -1.612 1.00 0.00 C ATOM 614 C ALA A 40 -3.474 1.278 -2.588 1.00 0.00 C ATOM 615 O ALA A 40 -4.154 2.249 -2.325 1.00 0.00 O ATOM 616 CB ALA A 40 -3.024 -0.301 -0.705 1.00 0.00 C ATOM 0 H ALA A 40 -2.272 1.953 0.161 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.575 0.328 -2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.376 -1.135 -1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.272 -0.656 -0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.863 0.126 -0.155 1.00 0.00 H new ATOM 622 N VAL A 41 -3.629 0.630 -3.705 1.00 0.00 N ATOM 623 CA VAL A 41 -4.651 1.065 -4.692 1.00 0.00 C ATOM 624 C VAL A 41 -5.907 0.247 -4.457 1.00 0.00 C ATOM 625 O VAL A 41 -7.012 0.751 -4.474 1.00 0.00 O ATOM 626 CB VAL A 41 -4.104 0.834 -6.117 1.00 0.00 C ATOM 627 CG1 VAL A 41 -4.953 -0.180 -6.874 1.00 0.00 C ATOM 628 CG2 VAL A 41 -4.124 2.148 -6.891 1.00 0.00 C ATOM 0 H VAL A 41 -3.087 -0.189 -3.979 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.882 2.124 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.086 0.453 -6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.544 -0.323 -7.874 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.947 -1.130 -6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.977 0.187 -6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.738 1.984 -7.897 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.147 2.519 -6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.502 2.882 -6.379 1.00 0.00 H new ATOM 638 N GLN A 42 -5.740 -1.020 -4.243 1.00 0.00 N ATOM 639 CA GLN A 42 -6.929 -1.873 -4.014 1.00 0.00 C ATOM 640 C GLN A 42 -6.513 -3.334 -3.909 1.00 0.00 C ATOM 641 O GLN A 42 -5.766 -3.853 -4.716 1.00 0.00 O ATOM 642 CB GLN A 42 -7.953 -1.628 -5.153 1.00 0.00 C ATOM 643 CG GLN A 42 -8.260 -2.894 -6.001 1.00 0.00 C ATOM 644 CD GLN A 42 -8.779 -4.033 -5.158 1.00 0.00 C ATOM 645 OE1 GLN A 42 -8.478 -5.169 -5.434 1.00 0.00 O ATOM 646 NE2 GLN A 42 -9.572 -3.790 -4.172 1.00 0.00 N ATOM 0 H GLN A 42 -4.840 -1.500 -4.217 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.408 -1.613 -3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.882 -1.257 -4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.572 -0.845 -5.809 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.995 -2.647 -6.767 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.355 -3.211 -6.519 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.822 -2.828 -3.944 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.949 -4.560 -3.619 1.00 0.00 H new ATOM 655 N TYR A 43 -7.028 -3.995 -2.917 1.00 0.00 N ATOM 656 CA TYR A 43 -6.719 -5.432 -2.727 1.00 0.00 C ATOM 657 C TYR A 43 -7.914 -6.230 -3.218 1.00 0.00 C ATOM 658 O TYR A 43 -9.013 -6.111 -2.705 1.00 0.00 O ATOM 659 CB TYR A 43 -6.476 -5.723 -1.252 1.00 0.00 C ATOM 660 CG TYR A 43 -7.730 -5.426 -0.464 1.00 0.00 C ATOM 661 CD1 TYR A 43 -8.059 -4.104 -0.140 1.00 0.00 C ATOM 662 CD2 TYR A 43 -8.562 -6.474 -0.062 1.00 0.00 C ATOM 663 CE1 TYR A 43 -9.222 -3.833 0.588 1.00 0.00 C ATOM 664 CE2 TYR A 43 -9.726 -6.203 0.668 1.00 0.00 C ATOM 665 CZ TYR A 43 -10.057 -4.881 0.992 1.00 0.00 C ATOM 666 OH TYR A 43 -11.203 -4.611 1.711 1.00 0.00 O ATOM 0 H TYR A 43 -7.658 -3.595 -2.221 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.821 -5.704 -3.282 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.189 -6.766 -1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.650 -5.116 -0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.415 -3.295 -0.452 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -8.308 -7.493 -0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.476 -2.814 0.839 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -10.368 -7.013 0.981 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.669 -5.450 1.911 1.00 0.00 H new ATOM 676 N LYS A 44 -7.711 -7.023 -4.222 1.00 0.00 N ATOM 677 CA LYS A 44 -8.830 -7.808 -4.780 1.00 0.00 C ATOM 678 C LYS A 44 -8.895 -9.125 -4.028 1.00 0.00 C ATOM 679 O LYS A 44 -7.981 -9.482 -3.309 1.00 0.00 O ATOM 680 CB LYS A 44 -8.572 -8.081 -6.263 1.00 0.00 C ATOM 681 CG LYS A 44 -9.660 -8.979 -6.869 1.00 0.00 C ATOM 682 CD LYS A 44 -10.985 -8.217 -6.890 1.00 0.00 C ATOM 683 CE LYS A 44 -12.167 -9.192 -6.836 1.00 0.00 C ATOM 684 NZ LYS A 44 -11.769 -10.493 -7.445 1.00 0.00 N ATOM 0 H LYS A 44 -6.811 -7.161 -4.682 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.768 -7.262 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.534 -7.137 -6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.599 -8.557 -6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.382 -9.277 -7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.761 -9.893 -6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.031 -7.533 -6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.048 -7.610 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.480 -9.343 -5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.021 -8.775 -7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.617 -10.993 -7.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.130 -10.320 -8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.282 -11.075 -6.734 1.00 0.00 H new ATOM 698 N THR A 45 -9.940 -9.861 -4.189 1.00 0.00 N ATOM 699 CA THR A 45 -10.012 -11.164 -3.481 1.00 0.00 C ATOM 700 C THR A 45 -10.836 -12.161 -4.295 1.00 0.00 C ATOM 701 O THR A 45 -11.941 -11.882 -4.714 1.00 0.00 O ATOM 702 CB THR A 45 -10.652 -10.973 -2.104 1.00 0.00 C ATOM 703 OG1 THR A 45 -11.206 -9.667 -2.017 1.00 0.00 O ATOM 704 CG2 THR A 45 -9.589 -11.151 -1.020 1.00 0.00 C ATOM 0 H THR A 45 -10.744 -9.628 -4.772 1.00 0.00 H new ATOM 0 HA THR A 45 -9.001 -11.553 -3.359 1.00 0.00 H new ATOM 0 HB THR A 45 -11.441 -11.712 -1.963 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.618 -9.544 -1.136 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.044 -11.015 -0.039 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.164 -12.153 -1.088 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.800 -10.412 -1.160 1.00 0.00 H new ATOM 712 N GLN A 46 -10.297 -13.327 -4.509 1.00 0.00 N ATOM 713 CA GLN A 46 -11.030 -14.363 -5.283 1.00 0.00 C ATOM 714 C GLN A 46 -10.492 -15.739 -4.888 1.00 0.00 C ATOM 715 O GLN A 46 -9.561 -15.851 -4.117 1.00 0.00 O ATOM 716 CB GLN A 46 -10.812 -14.134 -6.780 1.00 0.00 C ATOM 717 CG GLN A 46 -9.313 -14.095 -7.077 1.00 0.00 C ATOM 718 CD GLN A 46 -9.092 -14.106 -8.590 1.00 0.00 C ATOM 719 OE1 GLN A 46 -8.926 -13.069 -9.199 1.00 0.00 O ATOM 720 NE2 GLN A 46 -9.082 -15.246 -9.228 1.00 0.00 N ATOM 0 H GLN A 46 -9.374 -13.608 -4.178 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.097 -14.306 -5.067 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.286 -14.930 -7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -11.279 -13.198 -7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.868 -13.201 -6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.819 -14.952 -6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.221 -16.118 -8.717 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.935 -15.264 -10.237 1.00 0.00 H new ATOM 729 N VAL A 47 -11.069 -16.786 -5.403 1.00 0.00 N ATOM 730 CA VAL A 47 -10.584 -18.152 -5.050 1.00 0.00 C ATOM 731 C VAL A 47 -9.519 -18.589 -6.038 1.00 0.00 C ATOM 732 O VAL A 47 -8.898 -17.776 -6.692 1.00 0.00 O ATOM 733 CB VAL A 47 -11.750 -19.151 -5.076 1.00 0.00 C ATOM 734 CG1 VAL A 47 -11.622 -20.111 -3.893 1.00 0.00 C ATOM 735 CG2 VAL A 47 -13.085 -18.404 -4.975 1.00 0.00 C ATOM 0 H VAL A 47 -11.855 -16.758 -6.053 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.160 -18.126 -4.046 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.720 -19.708 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.449 -20.821 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.678 -20.651 -3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.648 -19.546 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.906 -19.121 -4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.117 -17.841 -4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.183 -17.718 -5.817 1.00 0.00 H new ATOM 745 N VAL A 48 -9.297 -19.875 -6.113 1.00 0.00 N ATOM 746 CA VAL A 48 -8.256 -20.439 -7.017 1.00 0.00 C ATOM 747 C VAL A 48 -7.997 -21.873 -6.564 1.00 0.00 C ATOM 748 O VAL A 48 -7.988 -22.815 -7.330 1.00 0.00 O ATOM 749 CB VAL A 48 -6.968 -19.589 -6.878 1.00 0.00 C ATOM 750 CG1 VAL A 48 -5.921 -20.268 -5.989 1.00 0.00 C ATOM 751 CG2 VAL A 48 -6.374 -19.330 -8.263 1.00 0.00 C ATOM 0 H VAL A 48 -9.807 -20.573 -5.572 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.573 -20.426 -8.060 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.243 -18.648 -6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.036 -19.635 -5.921 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.335 -20.422 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.647 -21.231 -6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.468 -18.732 -8.164 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.131 -20.280 -8.738 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.099 -18.793 -8.875 1.00 0.00 H new ATOM 761 N ALA A 49 -7.769 -21.990 -5.295 1.00 0.00 N ATOM 762 CA ALA A 49 -7.471 -23.296 -4.641 1.00 0.00 C ATOM 763 C ALA A 49 -6.618 -22.964 -3.419 1.00 0.00 C ATOM 764 O ALA A 49 -5.584 -23.549 -3.166 1.00 0.00 O ATOM 765 CB ALA A 49 -6.696 -24.212 -5.591 1.00 0.00 C ATOM 0 H ALA A 49 -7.776 -21.200 -4.650 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.387 -23.820 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.489 -25.160 -5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.290 -24.394 -6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.756 -23.735 -5.870 1.00 0.00 H new ATOM 771 N GLY A 50 -7.059 -21.976 -2.694 1.00 0.00 N ATOM 772 CA GLY A 50 -6.331 -21.486 -1.494 1.00 0.00 C ATOM 773 C GLY A 50 -6.793 -20.045 -1.262 1.00 0.00 C ATOM 774 O GLY A 50 -6.802 -19.557 -0.151 1.00 0.00 O ATOM 0 H GLY A 50 -7.923 -21.472 -2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.551 -22.108 -0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.253 -21.527 -1.651 1.00 0.00 H new ATOM 778 N THR A 51 -7.195 -19.395 -2.342 1.00 0.00 N ATOM 779 CA THR A 51 -7.713 -17.990 -2.311 1.00 0.00 C ATOM 780 C THR A 51 -6.676 -17.021 -2.877 1.00 0.00 C ATOM 781 O THR A 51 -5.676 -16.731 -2.252 1.00 0.00 O ATOM 782 CB THR A 51 -8.063 -17.576 -0.892 1.00 0.00 C ATOM 783 OG1 THR A 51 -8.891 -18.567 -0.299 1.00 0.00 O ATOM 784 CG2 THR A 51 -8.804 -16.239 -0.924 1.00 0.00 C ATOM 0 H THR A 51 -7.181 -19.805 -3.276 1.00 0.00 H new ATOM 0 HA THR A 51 -8.612 -17.955 -2.926 1.00 0.00 H new ATOM 0 HB THR A 51 -7.150 -17.472 -0.305 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.348 -19.146 0.275 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.057 -15.939 0.093 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.167 -15.481 -1.378 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.718 -16.343 -1.509 1.00 0.00 H new ATOM 792 N ASN A 52 -6.911 -16.511 -4.059 1.00 0.00 N ATOM 793 CA ASN A 52 -5.942 -15.551 -4.664 1.00 0.00 C ATOM 794 C ASN A 52 -6.242 -14.125 -4.188 1.00 0.00 C ATOM 795 O ASN A 52 -7.336 -13.818 -3.760 1.00 0.00 O ATOM 796 CB ASN A 52 -6.079 -15.594 -6.185 1.00 0.00 C ATOM 797 CG ASN A 52 -4.697 -15.750 -6.821 1.00 0.00 C ATOM 798 OD1 ASN A 52 -4.358 -15.042 -7.749 1.00 0.00 O ATOM 799 ND2 ASN A 52 -3.877 -16.655 -6.357 1.00 0.00 N ATOM 0 H ASN A 52 -7.731 -16.718 -4.630 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.933 -15.830 -4.362 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.721 -16.424 -6.479 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.554 -14.681 -6.543 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.953 -16.767 -6.773 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.161 -17.249 -5.578 1.00 0.00 H new ATOM 806 N TYR A 53 -5.278 -13.245 -4.282 1.00 0.00 N ATOM 807 CA TYR A 53 -5.500 -11.829 -3.865 1.00 0.00 C ATOM 808 C TYR A 53 -4.756 -10.911 -4.835 1.00 0.00 C ATOM 809 O TYR A 53 -3.614 -11.144 -5.164 1.00 0.00 O ATOM 810 CB TYR A 53 -4.969 -11.592 -2.446 1.00 0.00 C ATOM 811 CG TYR A 53 -5.506 -12.644 -1.503 1.00 0.00 C ATOM 812 CD1 TYR A 53 -6.887 -12.843 -1.388 1.00 0.00 C ATOM 813 CD2 TYR A 53 -4.621 -13.411 -0.734 1.00 0.00 C ATOM 814 CE1 TYR A 53 -7.382 -13.809 -0.503 1.00 0.00 C ATOM 815 CE2 TYR A 53 -5.118 -14.378 0.148 1.00 0.00 C ATOM 816 CZ TYR A 53 -6.497 -14.577 0.263 1.00 0.00 C ATOM 817 OH TYR A 53 -6.984 -15.528 1.137 1.00 0.00 O ATOM 0 H TYR A 53 -4.342 -13.449 -4.632 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.569 -11.618 -3.877 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.879 -11.619 -2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.263 -10.601 -2.101 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.570 -12.252 -1.981 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.556 -13.256 -0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.447 -13.962 -0.411 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.436 -14.970 0.740 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.236 -15.971 1.589 1.00 0.00 H new ATOM 827 N TYR A 54 -5.400 -9.881 -5.304 1.00 0.00 N ATOM 828 CA TYR A 54 -4.726 -8.953 -6.270 1.00 0.00 C ATOM 829 C TYR A 54 -4.482 -7.597 -5.604 1.00 0.00 C ATOM 830 O TYR A 54 -5.278 -6.692 -5.728 1.00 0.00 O ATOM 831 CB TYR A 54 -5.636 -8.755 -7.482 1.00 0.00 C ATOM 832 CG TYR A 54 -4.812 -8.798 -8.746 1.00 0.00 C ATOM 833 CD1 TYR A 54 -3.981 -9.896 -9.000 1.00 0.00 C ATOM 834 CD2 TYR A 54 -4.874 -7.740 -9.660 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.213 -9.935 -10.170 1.00 0.00 C ATOM 836 CE2 TYR A 54 -4.106 -7.779 -10.830 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.275 -8.877 -11.084 1.00 0.00 C ATOM 838 OH TYR A 54 -2.518 -8.915 -12.237 1.00 0.00 O ATOM 0 H TYR A 54 -6.361 -9.637 -5.065 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.772 -9.381 -6.579 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.400 -9.532 -7.507 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.156 -7.800 -7.407 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.933 -10.712 -8.294 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.515 -6.893 -9.463 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.572 -10.782 -10.367 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.154 -6.963 -11.536 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.680 -8.103 -12.761 1.00 0.00 H new ATOM 848 N ILE A 55 -3.396 -7.430 -4.898 1.00 0.00 N ATOM 849 CA ILE A 55 -3.167 -6.122 -4.230 1.00 0.00 C ATOM 850 C ILE A 55 -2.465 -5.159 -5.174 1.00 0.00 C ATOM 851 O ILE A 55 -1.261 -5.008 -5.153 1.00 0.00 O ATOM 852 CB ILE A 55 -2.318 -6.325 -2.971 1.00 0.00 C ATOM 853 CG1 ILE A 55 -3.175 -6.942 -1.860 1.00 0.00 C ATOM 854 CG2 ILE A 55 -1.777 -4.975 -2.490 1.00 0.00 C ATOM 855 CD1 ILE A 55 -4.017 -8.086 -2.426 1.00 0.00 C ATOM 0 H ILE A 55 -2.669 -8.132 -4.758 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.132 -5.698 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.489 -6.992 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.535 -7.312 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.824 -6.182 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.174 -5.123 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.162 -4.530 -3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.610 -4.310 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.623 -8.520 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.669 -7.704 -3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.360 -8.851 -2.840 1.00 0.00 H new ATOM 867 N LYS A 56 -3.230 -4.462 -5.959 1.00 0.00 N ATOM 868 CA LYS A 56 -2.643 -3.456 -6.864 1.00 0.00 C ATOM 869 C LYS A 56 -2.276 -2.268 -5.981 1.00 0.00 C ATOM 870 O LYS A 56 -3.141 -1.557 -5.512 1.00 0.00 O ATOM 871 CB LYS A 56 -3.696 -3.043 -7.887 1.00 0.00 C ATOM 872 CG LYS A 56 -3.081 -2.086 -8.910 1.00 0.00 C ATOM 873 CD LYS A 56 -4.029 -1.933 -10.102 1.00 0.00 C ATOM 874 CE LYS A 56 -3.413 -0.980 -11.126 1.00 0.00 C ATOM 875 NZ LYS A 56 -4.452 -0.576 -12.116 1.00 0.00 N ATOM 0 H LYS A 56 -4.245 -4.550 -6.010 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.772 -3.834 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.090 -3.925 -8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.535 -2.562 -7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.898 -1.115 -8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.116 -2.467 -9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.214 -2.905 -10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.993 -1.550 -9.767 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.012 -0.100 -10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.580 -1.465 -11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.991 -0.254 -12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.065 -1.389 -12.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.025 0.197 -11.722 1.00 0.00 H new ATOM 889 N VAL A 57 -1.025 -2.063 -5.697 1.00 0.00 N ATOM 890 CA VAL A 57 -0.682 -0.934 -4.788 1.00 0.00 C ATOM 891 C VAL A 57 -0.640 0.382 -5.575 1.00 0.00 C ATOM 892 O VAL A 57 -0.225 0.435 -6.715 1.00 0.00 O ATOM 893 CB VAL A 57 0.648 -1.195 -4.041 1.00 0.00 C ATOM 894 CG1 VAL A 57 1.414 -2.353 -4.666 1.00 0.00 C ATOM 895 CG2 VAL A 57 1.516 0.061 -4.052 1.00 0.00 C ATOM 0 H VAL A 57 -0.239 -2.612 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.460 -0.853 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 57 0.405 -1.459 -3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.343 -2.512 -4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.807 -3.257 -4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.640 -2.120 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.448 -0.136 -3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.736 0.343 -5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.985 0.875 -3.559 1.00 0.00 H new ATOM 905 N ARG A 58 -1.087 1.436 -4.954 1.00 0.00 N ATOM 906 CA ARG A 58 -1.104 2.771 -5.613 1.00 0.00 C ATOM 907 C ARG A 58 0.207 3.505 -5.328 1.00 0.00 C ATOM 908 O ARG A 58 0.681 3.528 -4.206 1.00 0.00 O ATOM 909 CB ARG A 58 -2.312 3.555 -5.043 1.00 0.00 C ATOM 910 CG ARG A 58 -1.915 4.885 -4.368 1.00 0.00 C ATOM 911 CD ARG A 58 -2.705 5.062 -3.070 1.00 0.00 C ATOM 912 NE ARG A 58 -4.096 4.589 -3.278 1.00 0.00 N ATOM 913 CZ ARG A 58 -5.097 5.290 -2.827 1.00 0.00 C ATOM 914 NH1 ARG A 58 -4.917 6.129 -1.844 1.00 0.00 N ATOM 915 NH2 ARG A 58 -6.282 5.153 -3.359 1.00 0.00 N ATOM 0 H ARG A 58 -1.448 1.429 -4.000 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.200 2.674 -6.694 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.015 3.761 -5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.833 2.929 -4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.846 4.892 -4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.113 5.719 -5.042 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.234 4.500 -2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.705 6.110 -2.770 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.268 3.715 -3.774 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.992 6.236 -1.428 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.701 6.677 -1.492 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.423 4.497 -4.127 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.066 5.702 -3.006 1.00 0.00 H new ATOM 929 N ALA A 59 0.775 4.148 -6.311 1.00 0.00 N ATOM 930 CA ALA A 59 2.013 4.910 -6.056 1.00 0.00 C ATOM 931 C ALA A 59 1.811 6.311 -6.606 1.00 0.00 C ATOM 932 O ALA A 59 2.743 6.981 -6.983 1.00 0.00 O ATOM 933 CB ALA A 59 3.191 4.242 -6.756 1.00 0.00 C ATOM 0 H ALA A 59 0.432 4.174 -7.271 1.00 0.00 H new ATOM 0 HA ALA A 59 2.227 4.944 -4.988 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.100 4.811 -6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.311 3.227 -6.378 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.005 4.209 -7.830 1.00 0.00 H new ATOM 939 N GLY A 60 0.591 6.765 -6.658 1.00 0.00 N ATOM 940 CA GLY A 60 0.353 8.133 -7.192 1.00 0.00 C ATOM 941 C GLY A 60 -0.347 8.017 -8.546 1.00 0.00 C ATOM 942 O GLY A 60 -1.047 7.060 -8.810 1.00 0.00 O ATOM 0 H GLY A 60 -0.241 6.256 -6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.260 8.708 -6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.298 8.666 -7.300 1.00 0.00 H new ATOM 946 N ASP A 61 -0.163 8.976 -9.411 1.00 0.00 N ATOM 947 CA ASP A 61 -0.817 8.903 -10.747 1.00 0.00 C ATOM 948 C ASP A 61 0.201 8.429 -11.790 1.00 0.00 C ATOM 949 O ASP A 61 -0.145 7.792 -12.765 1.00 0.00 O ATOM 950 CB ASP A 61 -1.344 10.286 -11.136 1.00 0.00 C ATOM 951 CG ASP A 61 -2.518 10.128 -12.104 1.00 0.00 C ATOM 952 OD1 ASP A 61 -2.272 9.805 -13.254 1.00 0.00 O ATOM 953 OD2 ASP A 61 -3.644 10.332 -11.679 1.00 0.00 O ATOM 0 H ASP A 61 0.410 9.804 -9.251 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.648 8.199 -10.706 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.662 10.830 -10.246 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.551 10.872 -11.601 1.00 0.00 H new ATOM 958 N ASN A 62 1.454 8.741 -11.594 1.00 0.00 N ATOM 959 CA ASN A 62 2.491 8.318 -12.571 1.00 0.00 C ATOM 960 C ASN A 62 3.188 7.047 -12.077 1.00 0.00 C ATOM 961 O ASN A 62 3.692 6.265 -12.857 1.00 0.00 O ATOM 962 CB ASN A 62 3.524 9.433 -12.732 1.00 0.00 C ATOM 963 CG ASN A 62 4.106 9.789 -11.363 1.00 0.00 C ATOM 964 OD1 ASN A 62 5.177 9.339 -11.011 1.00 0.00 O ATOM 965 ND2 ASN A 62 3.440 10.584 -10.570 1.00 0.00 N ATOM 0 H ASN A 62 1.802 9.272 -10.796 1.00 0.00 H new ATOM 0 HA ASN A 62 2.016 8.116 -13.531 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.319 9.112 -13.405 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.060 10.311 -13.182 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.820 10.827 -9.655 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.540 10.962 -10.866 1.00 0.00 H new ATOM 972 N LYS A 63 3.221 6.833 -10.789 1.00 0.00 N ATOM 973 CA LYS A 63 3.884 5.608 -10.258 1.00 0.00 C ATOM 974 C LYS A 63 2.799 4.620 -9.812 1.00 0.00 C ATOM 975 O LYS A 63 1.705 5.007 -9.429 1.00 0.00 O ATOM 976 CB LYS A 63 4.787 5.991 -9.083 1.00 0.00 C ATOM 977 CG LYS A 63 5.778 7.064 -9.529 1.00 0.00 C ATOM 978 CD LYS A 63 5.585 8.318 -8.674 1.00 0.00 C ATOM 979 CE LYS A 63 6.805 9.229 -8.816 1.00 0.00 C ATOM 980 NZ LYS A 63 6.372 10.655 -8.764 1.00 0.00 N ATOM 0 H LYS A 63 2.819 7.451 -10.084 1.00 0.00 H new ATOM 0 HA LYS A 63 4.499 5.140 -11.026 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.184 6.360 -8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.323 5.113 -8.722 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.799 6.696 -9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.626 7.301 -10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.685 8.848 -8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.446 8.040 -7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.519 9.026 -8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.315 9.027 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.514 11.095 -9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.365 10.703 -8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.934 11.163 -8.052 1.00 0.00 H new ATOM 994 N TYR A 64 3.068 3.347 -9.869 1.00 0.00 N ATOM 995 CA TYR A 64 2.025 2.371 -9.478 1.00 0.00 C ATOM 996 C TYR A 64 2.682 1.024 -9.229 1.00 0.00 C ATOM 997 O TYR A 64 3.518 0.578 -9.991 1.00 0.00 O ATOM 998 CB TYR A 64 1.033 2.241 -10.635 1.00 0.00 C ATOM 999 CG TYR A 64 -0.344 2.671 -10.195 1.00 0.00 C ATOM 1000 CD1 TYR A 64 -0.708 4.020 -10.268 1.00 0.00 C ATOM 1001 CD2 TYR A 64 -1.259 1.721 -9.727 1.00 0.00 C ATOM 1002 CE1 TYR A 64 -1.990 4.422 -9.873 1.00 0.00 C ATOM 1003 CE2 TYR A 64 -2.540 2.124 -9.330 1.00 0.00 C ATOM 1004 CZ TYR A 64 -2.905 3.474 -9.403 1.00 0.00 C ATOM 1005 OH TYR A 64 -4.168 3.870 -9.013 1.00 0.00 O ATOM 0 H TYR A 64 3.957 2.946 -10.167 1.00 0.00 H new ATOM 0 HA TYR A 64 1.511 2.700 -8.575 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.361 2.853 -11.475 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.005 1.209 -10.984 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.000 4.751 -10.629 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.978 0.680 -9.672 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.272 5.463 -9.931 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.247 1.393 -8.967 1.00 0.00 H new ATOM 0 HH TYR A 64 -4.106 4.399 -8.190 1.00 0.00 H new ATOM 1015 N LEU A 65 2.316 0.363 -8.177 1.00 0.00 N ATOM 1016 CA LEU A 65 2.928 -0.955 -7.902 1.00 0.00 C ATOM 1017 C LEU A 65 1.858 -2.022 -7.937 1.00 0.00 C ATOM 1018 O LEU A 65 0.712 -1.759 -8.244 1.00 0.00 O ATOM 1019 CB LEU A 65 3.600 -0.942 -6.536 1.00 0.00 C ATOM 1020 CG LEU A 65 4.474 0.316 -6.423 1.00 0.00 C ATOM 1021 CD1 LEU A 65 3.648 1.442 -5.804 1.00 0.00 C ATOM 1022 CD2 LEU A 65 5.682 0.049 -5.517 1.00 0.00 C ATOM 0 H LEU A 65 1.622 0.676 -7.498 1.00 0.00 H new ATOM 0 HA LEU A 65 3.679 -1.169 -8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.849 -0.951 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.209 -1.837 -6.407 1.00 0.00 H new ATOM 0 HG LEU A 65 4.821 0.592 -7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.261 2.339 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.785 1.650 -6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.308 1.141 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.291 0.950 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.336 -0.233 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.279 -0.761 -5.936 1.00 0.00 H new ATOM 1034 N HIS A 66 2.209 -3.232 -7.634 1.00 0.00 N ATOM 1035 CA HIS A 66 1.191 -4.287 -7.678 1.00 0.00 C ATOM 1036 C HIS A 66 1.688 -5.549 -6.978 1.00 0.00 C ATOM 1037 O HIS A 66 2.870 -5.813 -6.891 1.00 0.00 O ATOM 1038 CB HIS A 66 0.890 -4.581 -9.134 1.00 0.00 C ATOM 1039 CG HIS A 66 -0.461 -5.200 -9.236 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -1.492 -4.596 -9.924 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -0.973 -6.356 -8.718 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -2.567 -5.384 -9.803 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -2.310 -6.474 -9.078 1.00 0.00 N ATOM 0 H HIS A 66 3.146 -3.528 -7.362 1.00 0.00 H new ATOM 0 HA HIS A 66 0.291 -3.956 -7.160 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.928 -3.662 -9.719 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.644 -5.252 -9.546 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.423 -7.068 -8.121 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.529 -5.163 -10.241 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.954 -7.229 -8.840 1.00 0.00 H new ATOM 1051 N LEU A 67 0.772 -6.316 -6.477 1.00 0.00 N ATOM 1052 CA LEU A 67 1.121 -7.568 -5.763 1.00 0.00 C ATOM 1053 C LEU A 67 -0.040 -8.527 -5.875 1.00 0.00 C ATOM 1054 O LEU A 67 -1.166 -8.141 -6.116 1.00 0.00 O ATOM 1055 CB LEU A 67 1.316 -7.257 -4.285 1.00 0.00 C ATOM 1056 CG LEU A 67 1.357 -8.557 -3.477 1.00 0.00 C ATOM 1057 CD1 LEU A 67 2.615 -9.342 -3.820 1.00 0.00 C ATOM 1058 CD2 LEU A 67 1.375 -8.205 -1.994 1.00 0.00 C ATOM 0 H LEU A 67 -0.228 -6.124 -6.533 1.00 0.00 H new ATOM 0 HA LEU A 67 2.027 -7.996 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.242 -6.700 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.504 -6.623 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 67 0.483 -9.164 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.637 -10.265 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.616 -9.580 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.494 -8.743 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.404 -9.120 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.256 -7.603 -1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.477 -7.640 -1.743 1.00 0.00 H new ATOM 1070 N LYS A 68 0.221 -9.763 -5.651 1.00 0.00 N ATOM 1071 CA LYS A 68 -0.831 -10.759 -5.671 1.00 0.00 C ATOM 1072 C LYS A 68 -0.644 -11.575 -4.436 1.00 0.00 C ATOM 1073 O LYS A 68 0.210 -12.445 -4.413 1.00 0.00 O ATOM 1074 CB LYS A 68 -0.595 -11.663 -6.828 1.00 0.00 C ATOM 1075 CG LYS A 68 -1.832 -12.500 -7.117 1.00 0.00 C ATOM 1076 CD LYS A 68 -1.778 -13.755 -6.249 1.00 0.00 C ATOM 1077 CE LYS A 68 -1.062 -14.894 -6.985 1.00 0.00 C ATOM 1078 NZ LYS A 68 -1.415 -14.867 -8.434 1.00 0.00 N ATOM 0 H LYS A 68 1.152 -10.128 -5.449 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.819 -10.302 -5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.334 -11.075 -7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.252 -12.317 -6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.735 -11.929 -6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.869 -12.770 -8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.259 -13.536 -5.316 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.789 -14.065 -5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.017 -14.795 -6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.345 -15.853 -6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.081 -15.741 -8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.447 -14.794 -8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.963 -14.047 -8.886 1.00 0.00 H new ATOM 1092 N VAL A 69 -1.385 -11.336 -3.409 1.00 0.00 N ATOM 1093 CA VAL A 69 -1.157 -12.166 -2.226 1.00 0.00 C ATOM 1094 C VAL A 69 -1.897 -13.483 -2.438 1.00 0.00 C ATOM 1095 O VAL A 69 -3.044 -13.500 -2.837 1.00 0.00 O ATOM 1096 CB VAL A 69 -1.653 -11.461 -0.962 1.00 0.00 C ATOM 1097 CG1 VAL A 69 -1.013 -12.107 0.269 1.00 0.00 C ATOM 1098 CG2 VAL A 69 -1.265 -9.981 -1.017 1.00 0.00 C ATOM 0 H VAL A 69 -2.114 -10.626 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.091 -12.348 -2.092 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.737 -11.552 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.367 -11.604 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.287 -13.161 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.071 -12.016 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.618 -9.479 -0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.181 -9.891 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.720 -9.518 -1.893 1.00 0.00 H new ATOM 1108 N PHE A 70 -1.251 -14.588 -2.223 1.00 0.00 N ATOM 1109 CA PHE A 70 -1.935 -15.882 -2.467 1.00 0.00 C ATOM 1110 C PHE A 70 -1.722 -16.843 -1.300 1.00 0.00 C ATOM 1111 O PHE A 70 -0.610 -17.198 -0.967 1.00 0.00 O ATOM 1112 CB PHE A 70 -1.354 -16.494 -3.740 1.00 0.00 C ATOM 1113 CG PHE A 70 -1.988 -17.839 -3.997 1.00 0.00 C ATOM 1114 CD1 PHE A 70 -3.279 -18.105 -3.527 1.00 0.00 C ATOM 1115 CD2 PHE A 70 -1.287 -18.816 -4.709 1.00 0.00 C ATOM 1116 CE1 PHE A 70 -3.868 -19.351 -3.769 1.00 0.00 C ATOM 1117 CE2 PHE A 70 -1.876 -20.064 -4.955 1.00 0.00 C ATOM 1118 CZ PHE A 70 -3.169 -20.331 -4.484 1.00 0.00 C ATOM 0 H PHE A 70 -0.288 -14.653 -1.892 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.006 -15.709 -2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.531 -15.831 -4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.274 -16.604 -3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.820 -17.349 -2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.290 -18.609 -5.070 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.863 -19.557 -3.404 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.335 -20.818 -5.506 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.625 -21.291 -4.672 1.00 0.00 H new ATOM 1128 N LYS A 71 -2.785 -17.290 -0.693 1.00 0.00 N ATOM 1129 CA LYS A 71 -2.652 -18.258 0.429 1.00 0.00 C ATOM 1130 C LYS A 71 -2.707 -19.664 -0.163 1.00 0.00 C ATOM 1131 O LYS A 71 -3.616 -20.427 0.096 1.00 0.00 O ATOM 1132 CB LYS A 71 -3.801 -18.064 1.420 1.00 0.00 C ATOM 1133 CG LYS A 71 -3.265 -17.418 2.701 1.00 0.00 C ATOM 1134 CD LYS A 71 -3.547 -18.336 3.892 1.00 0.00 C ATOM 1135 CE LYS A 71 -3.595 -17.506 5.176 1.00 0.00 C ATOM 1136 NZ LYS A 71 -2.999 -18.289 6.297 1.00 0.00 N ATOM 0 H LYS A 71 -3.742 -17.026 -0.926 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.712 -18.104 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.574 -17.435 0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.264 -19.024 1.650 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.193 -17.241 2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.737 -16.448 2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.494 -18.857 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.772 -19.099 3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.048 -16.573 5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.626 -17.240 5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.031 -17.725 7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.539 -19.168 6.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.011 -18.521 6.071 1.00 0.00 H new ATOM 1150 N SER A 72 -1.743 -19.990 -0.982 1.00 0.00 N ATOM 1151 CA SER A 72 -1.712 -21.326 -1.641 1.00 0.00 C ATOM 1152 C SER A 72 -2.236 -22.411 -0.700 1.00 0.00 C ATOM 1153 O SER A 72 -1.642 -22.718 0.314 1.00 0.00 O ATOM 1154 CB SER A 72 -0.276 -21.659 -2.048 1.00 0.00 C ATOM 1155 OG SER A 72 -0.050 -21.215 -3.380 1.00 0.00 O ATOM 0 H SER A 72 -0.965 -19.377 -1.225 1.00 0.00 H new ATOM 0 HA SER A 72 -2.353 -21.292 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.428 -21.179 -1.368 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.105 -22.733 -1.977 1.00 0.00 H new ATOM 0 HG SER A 72 -0.705 -20.523 -3.610 1.00 0.00 H new ATOM 1161 N LEU A 73 -3.342 -23.001 -1.053 1.00 0.00 N ATOM 1162 CA LEU A 73 -3.929 -24.083 -0.222 1.00 0.00 C ATOM 1163 C LEU A 73 -4.874 -24.910 -1.104 1.00 0.00 C ATOM 1164 O LEU A 73 -6.045 -25.034 -0.815 1.00 0.00 O ATOM 1165 CB LEU A 73 -4.690 -23.460 0.952 1.00 0.00 C ATOM 1166 CG LEU A 73 -5.544 -24.523 1.639 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -5.271 -24.505 3.143 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -7.018 -24.215 1.384 1.00 0.00 C ATOM 0 H LEU A 73 -3.871 -22.775 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.149 -24.731 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.987 -23.029 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.322 -22.647 0.596 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.298 -25.508 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.881 -25.264 3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.217 -24.714 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.520 -23.524 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.637 -24.969 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.259 -23.232 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.211 -24.224 0.311 1.00 0.00 H new ATOM 1180 N PRO A 74 -4.329 -25.443 -2.176 1.00 0.00 N ATOM 1181 CA PRO A 74 -5.095 -26.258 -3.137 1.00 0.00 C ATOM 1182 C PRO A 74 -5.244 -27.693 -2.624 1.00 0.00 C ATOM 1183 O PRO A 74 -5.051 -28.645 -3.353 1.00 0.00 O ATOM 1184 CB PRO A 74 -4.225 -26.232 -4.397 1.00 0.00 C ATOM 1185 CG PRO A 74 -2.783 -25.935 -3.923 1.00 0.00 C ATOM 1186 CD PRO A 74 -2.901 -25.280 -2.534 1.00 0.00 C ATOM 0 HA PRO A 74 -6.105 -25.883 -3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.273 -27.186 -4.922 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.571 -25.467 -5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.196 -26.852 -3.870 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.275 -25.271 -4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.250 -25.767 -1.808 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.615 -24.229 -2.564 1.00 0.00 H new ATOM 1194 N GLY A 75 -5.576 -27.857 -1.376 1.00 0.00 N ATOM 1195 CA GLY A 75 -5.728 -29.232 -0.821 1.00 0.00 C ATOM 1196 C GLY A 75 -4.378 -29.712 -0.286 1.00 0.00 C ATOM 1197 O GLY A 75 -4.305 -30.618 0.521 1.00 0.00 O ATOM 0 H GLY A 75 -5.749 -27.100 -0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.470 -29.235 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.088 -29.911 -1.594 1.00 0.00 H new ATOM 1201 N GLN A 76 -3.307 -29.112 -0.727 1.00 0.00 N ATOM 1202 CA GLN A 76 -1.964 -29.535 -0.240 1.00 0.00 C ATOM 1203 C GLN A 76 -1.511 -28.594 0.878 1.00 0.00 C ATOM 1204 O GLN A 76 -0.728 -28.962 1.732 1.00 0.00 O ATOM 1205 CB GLN A 76 -0.960 -29.478 -1.393 1.00 0.00 C ATOM 1206 CG GLN A 76 0.274 -30.307 -1.032 1.00 0.00 C ATOM 1207 CD GLN A 76 0.828 -30.977 -2.291 1.00 0.00 C ATOM 1208 OE1 GLN A 76 0.503 -32.111 -2.582 1.00 0.00 O ATOM 1209 NE2 GLN A 76 1.656 -30.320 -3.057 1.00 0.00 N ATOM 0 H GLN A 76 -3.304 -28.348 -1.403 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.019 -30.555 0.141 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.415 -29.862 -2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.673 -28.445 -1.590 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.035 -29.669 -0.583 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.013 -31.062 -0.291 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.930 -29.368 -2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.029 -30.759 -3.899 1.00 0.00 H new ATOM 1218 N ASN A 77 -1.996 -27.383 0.882 1.00 0.00 N ATOM 1219 CA ASN A 77 -1.592 -26.421 1.946 1.00 0.00 C ATOM 1220 C ASN A 77 -0.074 -26.468 2.125 1.00 0.00 C ATOM 1221 O ASN A 77 0.432 -27.001 3.093 1.00 0.00 O ATOM 1222 CB ASN A 77 -2.275 -26.799 3.262 1.00 0.00 C ATOM 1223 CG ASN A 77 -1.651 -26.003 4.409 1.00 0.00 C ATOM 1224 OD1 ASN A 77 -1.535 -26.495 5.513 1.00 0.00 O ATOM 1225 ND2 ASN A 77 -1.241 -24.784 4.191 1.00 0.00 N ATOM 0 H ASN A 77 -2.655 -27.018 0.194 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.892 -25.413 1.659 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.344 -26.593 3.202 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.167 -27.868 3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.823 -24.244 4.948 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.339 -24.371 3.263 1.00 0.00 H new ATOM 1232 N GLU A 78 0.658 -25.914 1.197 1.00 0.00 N ATOM 1233 CA GLU A 78 2.142 -25.926 1.309 1.00 0.00 C ATOM 1234 C GLU A 78 2.655 -24.486 1.373 1.00 0.00 C ATOM 1235 O GLU A 78 3.270 -23.993 0.448 1.00 0.00 O ATOM 1236 CB GLU A 78 2.738 -26.625 0.086 1.00 0.00 C ATOM 1237 CG GLU A 78 3.549 -27.842 0.534 1.00 0.00 C ATOM 1238 CD GLU A 78 5.025 -27.625 0.196 1.00 0.00 C ATOM 1239 OE1 GLU A 78 5.563 -26.608 0.604 1.00 0.00 O ATOM 1240 OE2 GLU A 78 5.592 -28.478 -0.466 1.00 0.00 O ATOM 0 H GLU A 78 0.290 -25.453 0.365 1.00 0.00 H new ATOM 0 HA GLU A 78 2.437 -26.460 2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.943 -26.935 -0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.375 -25.934 -0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.430 -27.997 1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.180 -28.740 0.039 1.00 0.00 H new ATOM 1247 N ASP A 79 2.405 -23.806 2.458 1.00 0.00 N ATOM 1248 CA ASP A 79 2.874 -22.396 2.579 1.00 0.00 C ATOM 1249 C ASP A 79 2.076 -21.518 1.613 1.00 0.00 C ATOM 1250 O ASP A 79 1.328 -22.009 0.791 1.00 0.00 O ATOM 1251 CB ASP A 79 4.363 -22.323 2.231 1.00 0.00 C ATOM 1252 CG ASP A 79 5.098 -21.503 3.294 1.00 0.00 C ATOM 1253 OD1 ASP A 79 4.493 -21.205 4.311 1.00 0.00 O ATOM 1254 OD2 ASP A 79 6.255 -21.185 3.072 1.00 0.00 O ATOM 0 H ASP A 79 1.896 -24.165 3.266 1.00 0.00 H new ATOM 0 HA ASP A 79 2.726 -22.044 3.600 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.784 -23.327 2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.496 -21.868 1.250 1.00 0.00 H new ATOM 1259 N LEU A 80 2.221 -20.223 1.706 1.00 0.00 N ATOM 1260 CA LEU A 80 1.458 -19.332 0.789 1.00 0.00 C ATOM 1261 C LEU A 80 2.236 -19.104 -0.495 1.00 0.00 C ATOM 1262 O LEU A 80 2.965 -19.958 -0.958 1.00 0.00 O ATOM 1263 CB LEU A 80 1.173 -17.998 1.471 1.00 0.00 C ATOM 1264 CG LEU A 80 2.459 -17.195 1.587 1.00 0.00 C ATOM 1265 CD1 LEU A 80 2.187 -15.743 1.189 1.00 0.00 C ATOM 1266 CD2 LEU A 80 2.932 -17.261 3.032 1.00 0.00 C ATOM 0 H LEU A 80 2.830 -19.748 2.372 1.00 0.00 H new ATOM 0 HA LEU A 80 0.512 -19.814 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.433 -17.437 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.749 -18.168 2.461 1.00 0.00 H new ATOM 0 HG LEU A 80 3.226 -17.601 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.107 -15.165 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.828 -15.709 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.432 -15.319 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.855 -16.691 3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.167 -16.840 3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.113 -18.300 3.309 1.00 0.00 H new ATOM 1278 N VAL A 81 2.056 -17.967 -1.091 1.00 0.00 N ATOM 1279 CA VAL A 81 2.742 -17.678 -2.370 1.00 0.00 C ATOM 1280 C VAL A 81 2.332 -16.281 -2.836 1.00 0.00 C ATOM 1281 O VAL A 81 1.276 -15.792 -2.490 1.00 0.00 O ATOM 1282 CB VAL A 81 2.301 -18.752 -3.376 1.00 0.00 C ATOM 1283 CG1 VAL A 81 2.057 -18.148 -4.766 1.00 0.00 C ATOM 1284 CG2 VAL A 81 3.388 -19.822 -3.482 1.00 0.00 C ATOM 0 H VAL A 81 1.457 -17.218 -0.743 1.00 0.00 H new ATOM 0 HA VAL A 81 3.827 -17.699 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 81 1.368 -19.189 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.746 -18.934 -5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.275 -17.392 -4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.976 -17.689 -5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.078 -20.586 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.317 -19.364 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.544 -20.280 -2.505 1.00 0.00 H new ATOM 1294 N LEU A 82 3.142 -15.638 -3.624 1.00 0.00 N ATOM 1295 CA LEU A 82 2.771 -14.293 -4.107 1.00 0.00 C ATOM 1296 C LEU A 82 3.171 -14.155 -5.555 1.00 0.00 C ATOM 1297 O LEU A 82 4.127 -13.486 -5.894 1.00 0.00 O ATOM 1298 CB LEU A 82 3.462 -13.214 -3.290 1.00 0.00 C ATOM 1299 CG LEU A 82 2.453 -12.654 -2.306 1.00 0.00 C ATOM 1300 CD1 LEU A 82 2.271 -13.631 -1.144 1.00 0.00 C ATOM 1301 CD2 LEU A 82 2.941 -11.310 -1.768 1.00 0.00 C ATOM 0 H LEU A 82 4.042 -15.988 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 82 1.693 -14.172 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.321 -13.627 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.838 -12.425 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 82 1.500 -12.513 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.545 -13.226 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.912 -14.587 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.226 -13.777 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.211 -10.914 -1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.897 -11.446 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.063 -10.610 -2.594 1.00 0.00 H new ATOM 1313 N THR A 83 2.422 -14.758 -6.419 1.00 0.00 N ATOM 1314 CA THR A 83 2.727 -14.640 -7.858 1.00 0.00 C ATOM 1315 C THR A 83 2.699 -13.159 -8.244 1.00 0.00 C ATOM 1316 O THR A 83 3.089 -12.793 -9.335 1.00 0.00 O ATOM 1317 CB THR A 83 1.679 -15.400 -8.660 1.00 0.00 C ATOM 1318 OG1 THR A 83 1.085 -16.394 -7.838 1.00 0.00 O ATOM 1319 CG2 THR A 83 2.338 -16.060 -9.872 1.00 0.00 C ATOM 0 H THR A 83 1.609 -15.330 -6.190 1.00 0.00 H new ATOM 0 HA THR A 83 3.711 -15.059 -8.070 1.00 0.00 H new ATOM 0 HB THR A 83 0.911 -14.707 -9.003 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.529 -16.984 -8.388 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.586 -16.603 -10.444 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.790 -15.294 -10.502 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.108 -16.754 -9.535 1.00 0.00 H new ATOM 1327 N GLY A 84 2.244 -12.292 -7.363 1.00 0.00 N ATOM 1328 CA GLY A 84 2.217 -10.849 -7.725 1.00 0.00 C ATOM 1329 C GLY A 84 3.296 -10.106 -6.952 1.00 0.00 C ATOM 1330 O GLY A 84 3.649 -10.478 -5.853 1.00 0.00 O ATOM 0 H GLY A 84 1.899 -12.522 -6.431 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.377 -10.730 -8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.238 -10.426 -7.500 1.00 0.00 H new ATOM 1334 N TYR A 85 3.807 -9.053 -7.521 1.00 0.00 N ATOM 1335 CA TYR A 85 4.859 -8.253 -6.837 1.00 0.00 C ATOM 1336 C TYR A 85 5.441 -7.262 -7.845 1.00 0.00 C ATOM 1337 O TYR A 85 5.943 -7.650 -8.881 1.00 0.00 O ATOM 1338 CB TYR A 85 5.972 -9.169 -6.321 1.00 0.00 C ATOM 1339 CG TYR A 85 6.498 -10.029 -7.447 1.00 0.00 C ATOM 1340 CD1 TYR A 85 7.542 -9.564 -8.255 1.00 0.00 C ATOM 1341 CD2 TYR A 85 5.944 -11.294 -7.680 1.00 0.00 C ATOM 1342 CE1 TYR A 85 8.034 -10.362 -9.296 1.00 0.00 C ATOM 1343 CE2 TYR A 85 6.438 -12.094 -8.719 1.00 0.00 C ATOM 1344 CZ TYR A 85 7.480 -11.628 -9.527 1.00 0.00 C ATOM 1345 OH TYR A 85 7.966 -12.415 -10.551 1.00 0.00 O ATOM 0 H TYR A 85 3.538 -8.708 -8.442 1.00 0.00 H new ATOM 0 HA TYR A 85 4.424 -7.724 -5.989 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.781 -8.571 -5.901 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.592 -9.800 -5.518 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.969 -8.588 -8.076 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.136 -11.653 -7.059 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.839 -10.002 -9.919 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.014 -13.071 -8.896 1.00 0.00 H new ATOM 0 HH TYR A 85 7.474 -13.262 -10.575 1.00 0.00 H new ATOM 1355 N GLN A 86 5.373 -5.988 -7.570 1.00 0.00 N ATOM 1356 CA GLN A 86 5.924 -5.009 -8.558 1.00 0.00 C ATOM 1357 C GLN A 86 6.238 -3.664 -7.896 1.00 0.00 C ATOM 1358 O GLN A 86 5.644 -3.288 -6.905 1.00 0.00 O ATOM 1359 CB GLN A 86 4.903 -4.793 -9.676 1.00 0.00 C ATOM 1360 CG GLN A 86 5.343 -5.557 -10.926 1.00 0.00 C ATOM 1361 CD GLN A 86 6.768 -5.147 -11.301 1.00 0.00 C ATOM 1362 OE1 GLN A 86 7.700 -5.902 -11.109 1.00 0.00 O ATOM 1363 NE2 GLN A 86 6.979 -3.975 -11.834 1.00 0.00 N ATOM 0 H GLN A 86 4.970 -5.586 -6.724 1.00 0.00 H new ATOM 0 HA GLN A 86 6.851 -5.416 -8.961 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.919 -5.136 -9.355 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.813 -3.730 -9.900 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.299 -6.631 -10.743 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.664 -5.346 -11.752 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.197 -3.340 -11.996 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.926 -3.694 -12.089 1.00 0.00 H new ATOM 1372 N VAL A 87 7.169 -2.936 -8.464 1.00 0.00 N ATOM 1373 CA VAL A 87 7.548 -1.605 -7.916 1.00 0.00 C ATOM 1374 C VAL A 87 6.757 -0.521 -8.661 1.00 0.00 C ATOM 1375 O VAL A 87 5.577 -0.672 -8.877 1.00 0.00 O ATOM 1376 CB VAL A 87 9.057 -1.406 -8.096 1.00 0.00 C ATOM 1377 CG1 VAL A 87 9.380 -1.185 -9.577 1.00 0.00 C ATOM 1378 CG2 VAL A 87 9.517 -0.198 -7.277 1.00 0.00 C ATOM 0 H VAL A 87 7.687 -3.216 -9.297 1.00 0.00 H new ATOM 0 HA VAL A 87 7.313 -1.541 -6.853 1.00 0.00 H new ATOM 0 HB VAL A 87 9.581 -2.296 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.454 -1.044 -9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.061 -2.054 -10.153 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.855 -0.299 -9.936 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.590 -0.058 -7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.991 0.694 -7.618 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.298 -0.368 -6.223 1.00 0.00 H new ATOM 1388 N ASP A 88 7.357 0.573 -9.057 1.00 0.00 N ATOM 1389 CA ASP A 88 6.562 1.605 -9.760 1.00 0.00 C ATOM 1390 C ASP A 88 7.334 2.189 -10.949 1.00 0.00 C ATOM 1391 O ASP A 88 8.079 1.502 -11.619 1.00 0.00 O ATOM 1392 CB ASP A 88 6.217 2.723 -8.781 1.00 0.00 C ATOM 1393 CG ASP A 88 7.472 3.543 -8.479 1.00 0.00 C ATOM 1394 OD1 ASP A 88 8.499 2.939 -8.214 1.00 0.00 O ATOM 1395 OD2 ASP A 88 7.383 4.758 -8.515 1.00 0.00 O ATOM 0 H ASP A 88 8.345 0.788 -8.924 1.00 0.00 H new ATOM 0 HA ASP A 88 5.653 1.140 -10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.444 3.365 -9.203 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.814 2.302 -7.860 1.00 0.00 H new ATOM 1400 N LYS A 89 7.126 3.458 -11.218 1.00 0.00 N ATOM 1401 CA LYS A 89 7.798 4.132 -12.366 1.00 0.00 C ATOM 1402 C LYS A 89 6.940 3.942 -13.614 1.00 0.00 C ATOM 1403 O LYS A 89 7.410 3.513 -14.649 1.00 0.00 O ATOM 1404 CB LYS A 89 9.194 3.555 -12.601 1.00 0.00 C ATOM 1405 CG LYS A 89 10.069 4.609 -13.286 1.00 0.00 C ATOM 1406 CD LYS A 89 11.548 4.283 -13.058 1.00 0.00 C ATOM 1407 CE LYS A 89 12.351 5.584 -12.976 1.00 0.00 C ATOM 1408 NZ LYS A 89 12.609 6.100 -14.350 1.00 0.00 N ATOM 0 H LYS A 89 6.507 4.062 -10.677 1.00 0.00 H new ATOM 0 HA LYS A 89 7.909 5.193 -12.142 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.641 3.256 -11.653 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.131 2.660 -13.220 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.853 4.635 -14.354 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.840 5.598 -12.890 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.668 3.711 -12.138 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.924 3.662 -13.871 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.803 6.326 -12.395 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.295 5.409 -12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.154 6.984 -14.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.149 5.394 -14.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.704 6.283 -14.828 1.00 0.00 H new ATOM 1422 N ASN A 90 5.679 4.258 -13.511 1.00 0.00 N ATOM 1423 CA ASN A 90 4.759 4.108 -14.671 1.00 0.00 C ATOM 1424 C ASN A 90 5.053 2.807 -15.418 1.00 0.00 C ATOM 1425 O ASN A 90 4.936 2.734 -16.626 1.00 0.00 O ATOM 1426 CB ASN A 90 4.925 5.298 -15.617 1.00 0.00 C ATOM 1427 CG ASN A 90 6.411 5.520 -15.901 1.00 0.00 C ATOM 1428 OD1 ASN A 90 7.011 6.435 -15.374 1.00 0.00 O ATOM 1429 ND2 ASN A 90 7.035 4.715 -16.715 1.00 0.00 N ATOM 0 H ASN A 90 5.243 4.618 -12.662 1.00 0.00 H new ATOM 0 HA ASN A 90 3.733 4.077 -14.305 1.00 0.00 H new ATOM 0 HB2 ASN A 90 4.389 5.113 -16.548 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.491 6.193 -15.172 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.027 4.854 -16.909 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.531 3.946 -17.158 1.00 0.00 H new ATOM 1436 N LYS A 91 5.407 1.773 -14.712 1.00 0.00 N ATOM 1437 CA LYS A 91 5.677 0.472 -15.392 1.00 0.00 C ATOM 1438 C LYS A 91 4.523 -0.476 -15.097 1.00 0.00 C ATOM 1439 O LYS A 91 3.910 -1.025 -15.990 1.00 0.00 O ATOM 1440 CB LYS A 91 6.973 -0.156 -14.877 1.00 0.00 C ATOM 1441 CG LYS A 91 7.949 0.929 -14.427 1.00 0.00 C ATOM 1442 CD LYS A 91 9.171 0.264 -13.792 1.00 0.00 C ATOM 1443 CE LYS A 91 10.205 -0.048 -14.876 1.00 0.00 C ATOM 1444 NZ LYS A 91 10.326 -1.525 -15.036 1.00 0.00 N ATOM 0 H LYS A 91 5.522 1.768 -13.698 1.00 0.00 H new ATOM 0 HA LYS A 91 5.776 0.648 -16.463 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.755 -0.825 -14.045 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.428 -0.761 -15.661 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.252 1.540 -15.277 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.468 1.595 -13.711 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.605 0.921 -13.039 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.875 -0.653 -13.282 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.907 0.408 -15.820 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.171 0.380 -14.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.029 -1.738 -15.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.629 -1.948 -14.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.405 -1.921 -15.312 1.00 0.00 H new ATOM 1458 N ASP A 92 4.215 -0.662 -13.845 1.00 0.00 N ATOM 1459 CA ASP A 92 3.091 -1.564 -13.487 1.00 0.00 C ATOM 1460 C ASP A 92 1.772 -0.919 -13.922 1.00 0.00 C ATOM 1461 O ASP A 92 0.715 -1.508 -13.804 1.00 0.00 O ATOM 1462 CB ASP A 92 3.075 -1.789 -11.972 1.00 0.00 C ATOM 1463 CG ASP A 92 2.144 -2.958 -11.641 1.00 0.00 C ATOM 1464 OD1 ASP A 92 0.941 -2.780 -11.750 1.00 0.00 O ATOM 1465 OD2 ASP A 92 2.649 -4.008 -11.284 1.00 0.00 O ATOM 0 H ASP A 92 4.694 -0.228 -13.056 1.00 0.00 H new ATOM 0 HA ASP A 92 3.216 -2.522 -13.991 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.083 -2.000 -11.614 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.738 -0.886 -11.463 1.00 0.00 H new ATOM 1470 N ASP A 93 1.823 0.287 -14.430 1.00 0.00 N ATOM 1471 CA ASP A 93 0.568 0.957 -14.872 1.00 0.00 C ATOM 1472 C ASP A 93 -0.284 -0.037 -15.664 1.00 0.00 C ATOM 1473 O ASP A 93 0.228 -0.926 -16.313 1.00 0.00 O ATOM 1474 CB ASP A 93 0.914 2.155 -15.761 1.00 0.00 C ATOM 1475 CG ASP A 93 -0.361 2.702 -16.403 1.00 0.00 C ATOM 1476 OD1 ASP A 93 -1.102 3.384 -15.714 1.00 0.00 O ATOM 1477 OD2 ASP A 93 -0.574 2.434 -17.574 1.00 0.00 O ATOM 0 H ASP A 93 2.676 0.832 -14.556 1.00 0.00 H new ATOM 0 HA ASP A 93 0.012 1.302 -14.000 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.398 2.932 -15.169 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.622 1.855 -16.533 1.00 0.00 H new ATOM 1482 N GLU A 94 -1.580 0.102 -15.612 1.00 0.00 N ATOM 1483 CA GLU A 94 -2.462 -0.838 -16.358 1.00 0.00 C ATOM 1484 C GLU A 94 -3.921 -0.410 -16.192 1.00 0.00 C ATOM 1485 O GLU A 94 -4.438 -0.343 -15.095 1.00 0.00 O ATOM 1486 CB GLU A 94 -2.277 -2.252 -15.807 1.00 0.00 C ATOM 1487 CG GLU A 94 -1.593 -3.125 -16.861 1.00 0.00 C ATOM 1488 CD GLU A 94 -1.843 -4.599 -16.540 1.00 0.00 C ATOM 1489 OE1 GLU A 94 -1.761 -4.954 -15.377 1.00 0.00 O ATOM 1490 OE2 GLU A 94 -2.111 -5.349 -17.466 1.00 0.00 O ATOM 0 H GLU A 94 -2.066 0.827 -15.084 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.200 -0.823 -17.416 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.677 -2.224 -14.898 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.243 -2.678 -15.538 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.979 -2.887 -17.852 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.522 -2.922 -16.878 1.00 0.00 H new ATOM 1497 N LEU A 95 -4.590 -0.119 -17.275 1.00 0.00 N ATOM 1498 CA LEU A 95 -6.014 0.303 -17.177 1.00 0.00 C ATOM 1499 C LEU A 95 -6.874 -0.901 -16.787 1.00 0.00 C ATOM 1500 O LEU A 95 -7.084 -1.806 -17.569 1.00 0.00 O ATOM 1501 CB LEU A 95 -6.479 0.850 -18.530 1.00 0.00 C ATOM 1502 CG LEU A 95 -6.487 2.379 -18.485 1.00 0.00 C ATOM 1503 CD1 LEU A 95 -5.875 2.934 -19.774 1.00 0.00 C ATOM 1504 CD2 LEU A 95 -7.928 2.875 -18.349 1.00 0.00 C ATOM 0 H LEU A 95 -4.211 -0.156 -18.221 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.113 1.081 -16.420 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.816 0.502 -19.322 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.477 0.477 -18.762 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.901 2.720 -17.631 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.882 4.023 -19.740 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.849 2.580 -19.871 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.459 2.594 -20.630 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.936 3.964 -18.317 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.513 2.533 -19.203 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.363 2.481 -17.430 1.00 0.00 H new ATOM 1516 N THR A 96 -7.369 -0.918 -15.581 1.00 0.00 N ATOM 1517 CA THR A 96 -8.212 -2.062 -15.136 1.00 0.00 C ATOM 1518 C THR A 96 -9.396 -1.537 -14.322 1.00 0.00 C ATOM 1519 O THR A 96 -9.266 -0.608 -13.551 1.00 0.00 O ATOM 1520 CB THR A 96 -7.374 -2.998 -14.264 1.00 0.00 C ATOM 1521 OG1 THR A 96 -6.435 -2.231 -13.523 1.00 0.00 O ATOM 1522 CG2 THR A 96 -6.631 -4.001 -15.149 1.00 0.00 C ATOM 0 H THR A 96 -7.226 -0.188 -14.883 1.00 0.00 H new ATOM 0 HA THR A 96 -8.581 -2.603 -16.007 1.00 0.00 H new ATOM 0 HB THR A 96 -8.027 -3.540 -13.580 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.867 -1.416 -13.192 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.035 -4.666 -14.524 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.352 -4.587 -15.719 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.976 -3.465 -15.836 1.00 0.00 H new ATOM 1530 N GLY A 97 -10.550 -2.127 -14.482 1.00 0.00 N ATOM 1531 CA GLY A 97 -11.737 -1.658 -13.711 1.00 0.00 C ATOM 1532 C GLY A 97 -12.952 -1.560 -14.635 1.00 0.00 C ATOM 1533 O GLY A 97 -12.837 -1.644 -15.842 1.00 0.00 O ATOM 0 H GLY A 97 -10.722 -2.911 -15.111 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -11.946 -2.347 -12.893 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.530 -0.686 -13.264 1.00 0.00 H new ATOM 1537 N PHE A 98 -14.119 -1.382 -14.077 1.00 0.00 N ATOM 1538 CA PHE A 98 -15.342 -1.280 -14.921 1.00 0.00 C ATOM 1539 C PHE A 98 -16.459 -0.600 -14.127 1.00 0.00 C ATOM 1540 O PHE A 98 -16.367 -0.579 -12.909 1.00 0.00 O ATOM 1541 CB PHE A 98 -15.796 -2.681 -15.340 1.00 0.00 C ATOM 1542 CG PHE A 98 -16.766 -2.571 -16.490 1.00 0.00 C ATOM 1543 CD1 PHE A 98 -16.328 -2.103 -17.734 1.00 0.00 C ATOM 1544 CD2 PHE A 98 -18.107 -2.935 -16.313 1.00 0.00 C ATOM 1545 CE1 PHE A 98 -17.228 -2.001 -18.801 1.00 0.00 C ATOM 1546 CE2 PHE A 98 -19.006 -2.834 -17.381 1.00 0.00 C ATOM 1547 CZ PHE A 98 -18.568 -2.366 -18.625 1.00 0.00 C ATOM 1548 OXT PHE A 98 -17.390 -0.115 -14.748 1.00 0.00 O ATOM 0 H PHE A 98 -14.277 -1.303 -13.072 1.00 0.00 H new ATOM 0 HA PHE A 98 -15.117 -0.690 -15.810 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -14.935 -3.282 -15.633 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -16.268 -3.189 -14.499 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -15.295 -1.820 -17.871 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -18.447 -3.293 -15.353 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -16.888 -1.640 -19.761 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -20.039 -3.118 -17.245 1.00 0.00 H new ATOM 0 HZ PHE A 98 -19.263 -2.287 -19.448 1.00 0.00 H new TER 1558 PHE A 98