USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 883 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 89 ASN : amide:sc= -1.96 K(o=-2.5,f=-9.4!) USER MOD Set 1.2: A 94 TYR OH : rot 30:sc= -0.529 USER MOD Single : A 1 GLY N :NH3+ -179:sc= 0 (180deg=-0.000609) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -61:sc=-0.00709! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.06 K(o=-2.1,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0317) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.44! C(o=-2.4!,f=-2.3!) USER MOD Single : A 34 ASN : amide:sc= -0.996 X(o=-1,f=-0.98) USER MOD Single : A 35 MET CE :methyl 140:sc= -0.331 (180deg=-2.9!) USER MOD Single : A 36 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.8!) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.0462 (180deg=-0.367) USER MOD Single : A 39 THR OG1 : rot -168:sc= 0.0103 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -2.64! C(o=-2.6!,f=-8.9!) USER MOD Single : A 46 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.84) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0747 K(o=-0.075,f=-1.2!) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= 0.115 (180deg=0.0627) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc=-0.00517 (180deg=-0.119) USER MOD Single : A 66 HIS : no HD1:sc= -0.742 K(o=-0.74,f=0.017) USER MOD Single : A 69 THR OG1 : rot -68:sc= 0.778 USER MOD Single : A 71 MET CE :methyl -125:sc= -3.86 (180deg=-11.9!) USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0165) USER MOD Single : A 76 GLN : amide:sc= -1.44 K(o=-1.4,f=-3.9!) USER MOD Single : A 77 LYS NZ :NH3+ -133:sc= 0.118 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.294 K(o=-0.29,f=-0.93) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.76! C(o=-1.8!,f=-7.3!) USER MOD Single : A 96 MET CE :methyl -178:sc= -3.52! (180deg=-3.62!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.288 28.283 6.262 1.00 0.00 N ATOM 2 CA GLY A 1 -0.468 29.470 6.420 1.00 0.00 C ATOM 3 C GLY A 1 -1.101 30.492 7.344 1.00 0.00 C ATOM 4 O GLY A 1 -0.434 31.044 8.219 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.805 27.608 5.635 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.444 27.842 7.191 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.204 28.547 5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.508 29.184 6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.298 29.923 5.443 1.00 0.00 H new ATOM 8 N SER A 2 -2.390 30.747 7.147 1.00 0.00 N ATOM 9 CA SER A 2 -3.112 31.715 7.966 1.00 0.00 C ATOM 10 C SER A 2 -4.402 31.110 8.511 1.00 0.00 C ATOM 11 O SER A 2 -4.614 31.060 9.722 1.00 0.00 O ATOM 12 CB SER A 2 -3.428 32.970 7.150 1.00 0.00 C ATOM 13 OG SER A 2 -3.549 34.106 7.988 1.00 0.00 O ATOM 0 H SER A 2 -2.956 30.297 6.428 1.00 0.00 H new ATOM 0 HA SER A 2 -2.476 31.989 8.808 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.640 33.138 6.416 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.355 32.823 6.595 1.00 0.00 H new ATOM 0 HG SER A 2 -3.749 34.895 7.442 1.00 0.00 H new ATOM 19 N SER A 3 -5.262 30.652 7.606 1.00 0.00 N ATOM 20 CA SER A 3 -6.534 30.054 7.995 1.00 0.00 C ATOM 21 C SER A 3 -6.497 28.539 7.822 1.00 0.00 C ATOM 22 O SER A 3 -6.757 28.020 6.738 1.00 0.00 O ATOM 23 CB SER A 3 -7.674 30.646 7.165 1.00 0.00 C ATOM 24 OG SER A 3 -8.858 29.880 7.305 1.00 0.00 O ATOM 0 H SER A 3 -5.101 30.684 6.599 1.00 0.00 H new ATOM 0 HA SER A 3 -6.706 30.278 9.048 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.862 31.673 7.480 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.383 30.683 6.115 1.00 0.00 H new ATOM 0 HG SER A 3 -9.572 30.280 6.766 1.00 0.00 H new ATOM 30 N GLY A 4 -6.171 27.834 8.902 1.00 0.00 N ATOM 31 CA GLY A 4 -6.105 26.385 8.850 1.00 0.00 C ATOM 32 C GLY A 4 -6.384 25.744 10.194 1.00 0.00 C ATOM 33 O GLY A 4 -5.461 25.322 10.891 1.00 0.00 O ATOM 0 H GLY A 4 -5.952 28.241 9.811 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.825 26.018 8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.117 26.081 8.504 1.00 0.00 H new ATOM 37 N SER A 5 -7.659 25.671 10.561 1.00 0.00 N ATOM 38 CA SER A 5 -8.056 25.082 11.834 1.00 0.00 C ATOM 39 C SER A 5 -8.440 23.616 11.658 1.00 0.00 C ATOM 40 O SER A 5 -9.153 23.258 10.720 1.00 0.00 O ATOM 41 CB SER A 5 -9.229 25.859 12.437 1.00 0.00 C ATOM 42 OG SER A 5 -9.623 25.304 13.680 1.00 0.00 O ATOM 0 H SER A 5 -8.435 26.013 9.994 1.00 0.00 H new ATOM 0 HA SER A 5 -7.205 25.138 12.513 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.946 26.903 12.575 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.072 25.846 11.746 1.00 0.00 H new ATOM 0 HG SER A 5 -10.372 25.819 14.045 1.00 0.00 H new ATOM 48 N SER A 6 -7.962 22.772 12.566 1.00 0.00 N ATOM 49 CA SER A 6 -8.251 21.344 12.510 1.00 0.00 C ATOM 50 C SER A 6 -9.386 20.981 13.463 1.00 0.00 C ATOM 51 O SER A 6 -9.720 21.745 14.368 1.00 0.00 O ATOM 52 CB SER A 6 -7.000 20.534 12.858 1.00 0.00 C ATOM 53 OG SER A 6 -7.105 19.203 12.383 1.00 0.00 O ATOM 0 H SER A 6 -7.372 23.052 13.350 1.00 0.00 H new ATOM 0 HA SER A 6 -8.561 21.102 11.494 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.122 21.011 12.422 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.856 20.527 13.938 1.00 0.00 H new ATOM 0 HG SER A 6 -6.293 18.707 12.617 1.00 0.00 H new ATOM 59 N GLY A 7 -9.976 19.808 13.251 1.00 0.00 N ATOM 60 CA GLY A 7 -11.068 19.364 14.098 1.00 0.00 C ATOM 61 C GLY A 7 -10.957 17.897 14.464 1.00 0.00 C ATOM 62 O GLY A 7 -10.535 17.555 15.569 1.00 0.00 O ATOM 0 H GLY A 7 -9.717 19.158 12.509 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.084 19.963 15.009 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.015 19.537 13.586 1.00 0.00 H new ATOM 66 N THR A 8 -11.340 17.026 13.535 1.00 0.00 N ATOM 67 CA THR A 8 -11.285 15.589 13.766 1.00 0.00 C ATOM 68 C THR A 8 -11.562 14.814 12.483 1.00 0.00 C ATOM 69 O THR A 8 -12.246 15.307 11.586 1.00 0.00 O ATOM 70 CB THR A 8 -12.297 15.153 14.843 1.00 0.00 C ATOM 71 OG1 THR A 8 -12.583 16.250 15.718 1.00 0.00 O ATOM 72 CG2 THR A 8 -11.759 13.981 15.649 1.00 0.00 C ATOM 0 H THR A 8 -11.692 17.292 12.615 1.00 0.00 H new ATOM 0 HA THR A 8 -10.276 15.364 14.113 1.00 0.00 H new ATOM 0 HB THR A 8 -13.213 14.838 14.343 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.760 16.532 16.169 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.491 13.691 16.403 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.570 13.138 14.984 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.830 14.272 16.139 1.00 0.00 H new ATOM 80 N GLU A 9 -11.027 13.600 12.402 1.00 0.00 N ATOM 81 CA GLU A 9 -11.217 12.759 11.227 1.00 0.00 C ATOM 82 C GLU A 9 -12.569 12.053 11.276 1.00 0.00 C ATOM 83 O GLU A 9 -12.676 10.869 10.956 1.00 0.00 O ATOM 84 CB GLU A 9 -10.094 11.725 11.125 1.00 0.00 C ATOM 85 CG GLU A 9 -10.013 10.793 12.322 1.00 0.00 C ATOM 86 CD GLU A 9 -10.855 9.544 12.147 1.00 0.00 C ATOM 87 OE1 GLU A 9 -10.534 8.732 11.255 1.00 0.00 O ATOM 88 OE2 GLU A 9 -11.835 9.379 12.904 1.00 0.00 O ATOM 0 H GLU A 9 -10.459 13.177 13.136 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.192 13.400 10.346 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.239 11.131 10.222 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.142 12.245 11.015 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.974 10.506 12.485 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.341 11.325 13.215 1.00 0.00 H new ATOM 95 N ASP A 10 -13.599 12.789 11.679 1.00 0.00 N ATOM 96 CA ASP A 10 -14.945 12.236 11.770 1.00 0.00 C ATOM 97 C ASP A 10 -15.819 12.742 10.627 1.00 0.00 C ATOM 98 O ASP A 10 -16.512 11.965 9.971 1.00 0.00 O ATOM 99 CB ASP A 10 -15.579 12.599 13.114 1.00 0.00 C ATOM 100 CG ASP A 10 -16.843 11.809 13.390 1.00 0.00 C ATOM 101 OD1 ASP A 10 -17.916 12.213 12.894 1.00 0.00 O ATOM 102 OD2 ASP A 10 -16.760 10.787 14.103 1.00 0.00 O ATOM 0 H ASP A 10 -13.527 13.770 11.948 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.871 11.151 11.694 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.859 12.418 13.912 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.810 13.664 13.128 1.00 0.00 H new ATOM 107 N SER A 11 -15.783 14.051 10.396 1.00 0.00 N ATOM 108 CA SER A 11 -16.576 14.662 9.335 1.00 0.00 C ATOM 109 C SER A 11 -15.753 14.809 8.059 1.00 0.00 C ATOM 110 O SER A 11 -15.738 15.871 7.435 1.00 0.00 O ATOM 111 CB SER A 11 -17.095 16.030 9.782 1.00 0.00 C ATOM 112 OG SER A 11 -16.026 16.894 10.124 1.00 0.00 O ATOM 0 H SER A 11 -15.214 14.708 10.929 1.00 0.00 H new ATOM 0 HA SER A 11 -17.424 14.010 9.126 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.686 16.477 8.983 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.757 15.909 10.639 1.00 0.00 H new ATOM 0 HG SER A 11 -16.384 17.762 10.405 1.00 0.00 H new ATOM 118 N LEU A 12 -15.070 13.736 7.676 1.00 0.00 N ATOM 119 CA LEU A 12 -14.244 13.745 6.473 1.00 0.00 C ATOM 120 C LEU A 12 -15.111 13.734 5.218 1.00 0.00 C ATOM 121 O LEU A 12 -16.235 13.234 5.232 1.00 0.00 O ATOM 122 CB LEU A 12 -13.304 12.538 6.468 1.00 0.00 C ATOM 123 CG LEU A 12 -12.238 12.513 7.564 1.00 0.00 C ATOM 124 CD1 LEU A 12 -11.834 11.082 7.883 1.00 0.00 C ATOM 125 CD2 LEU A 12 -11.025 13.331 7.146 1.00 0.00 C ATOM 0 H LEU A 12 -15.072 12.849 8.180 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.651 14.660 6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.906 11.633 6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -12.803 12.497 5.501 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.659 12.959 8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.075 11.084 8.665 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.706 10.525 8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.431 10.609 6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.276 13.302 7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.602 12.914 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.326 14.363 6.969 1.00 0.00 H new ATOM 137 N MET A 13 -14.578 14.287 4.133 1.00 0.00 N ATOM 138 CA MET A 13 -15.302 14.338 2.868 1.00 0.00 C ATOM 139 C MET A 13 -15.608 12.933 2.360 1.00 0.00 C ATOM 140 O MET A 13 -14.977 11.952 2.756 1.00 0.00 O ATOM 141 CB MET A 13 -14.491 15.106 1.822 1.00 0.00 C ATOM 142 CG MET A 13 -14.793 16.595 1.793 1.00 0.00 C ATOM 143 SD MET A 13 -13.767 17.535 2.940 1.00 0.00 S ATOM 144 CE MET A 13 -14.815 18.954 3.248 1.00 0.00 C ATOM 0 H MET A 13 -13.648 14.706 4.104 1.00 0.00 H new ATOM 0 HA MET A 13 -16.245 14.857 3.039 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.429 14.963 2.021 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.691 14.684 0.837 1.00 0.00 H new ATOM 0 HG2 MET A 13 -14.641 16.973 0.782 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.843 16.753 2.038 1.00 0.00 H new ATOM 0 HE1 MET A 13 -14.317 19.631 3.942 1.00 0.00 H new ATOM 0 HE2 MET A 13 -15.008 19.474 2.310 1.00 0.00 H new ATOM 0 HE3 MET A 13 -15.759 18.622 3.680 1.00 0.00 H new ATOM 154 N PRO A 14 -16.598 12.830 1.461 1.00 0.00 N ATOM 155 CA PRO A 14 -17.010 11.548 0.880 1.00 0.00 C ATOM 156 C PRO A 14 -15.960 10.978 -0.067 1.00 0.00 C ATOM 157 O PRO A 14 -14.834 11.471 -0.130 1.00 0.00 O ATOM 158 CB PRO A 14 -18.287 11.901 0.112 1.00 0.00 C ATOM 159 CG PRO A 14 -18.150 13.350 -0.206 1.00 0.00 C ATOM 160 CD PRO A 14 -17.393 13.956 0.943 1.00 0.00 C ATOM 0 HA PRO A 14 -17.152 10.782 1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.381 11.304 -0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.176 11.710 0.713 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -17.616 13.495 -1.145 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.127 13.819 -0.320 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.758 14.779 0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.066 14.355 1.702 1.00 0.00 H new ATOM 168 N GLU A 15 -16.336 9.936 -0.803 1.00 0.00 N ATOM 169 CA GLU A 15 -15.425 9.299 -1.746 1.00 0.00 C ATOM 170 C GLU A 15 -15.638 9.839 -3.157 1.00 0.00 C ATOM 171 O GLU A 15 -14.681 10.174 -3.855 1.00 0.00 O ATOM 172 CB GLU A 15 -15.621 7.782 -1.734 1.00 0.00 C ATOM 173 CG GLU A 15 -14.485 7.015 -2.390 1.00 0.00 C ATOM 174 CD GLU A 15 -14.813 5.549 -2.596 1.00 0.00 C ATOM 175 OE1 GLU A 15 -15.222 4.889 -1.618 1.00 0.00 O ATOM 176 OE2 GLU A 15 -14.660 5.062 -3.736 1.00 0.00 O ATOM 0 H GLU A 15 -17.265 9.516 -0.764 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.405 9.528 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.726 7.446 -0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.553 7.541 -2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.253 7.470 -3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.590 7.100 -1.773 1.00 0.00 H new ATOM 183 N GLU A 16 -16.899 9.919 -3.570 1.00 0.00 N ATOM 184 CA GLU A 16 -17.238 10.417 -4.898 1.00 0.00 C ATOM 185 C GLU A 16 -16.593 11.777 -5.150 1.00 0.00 C ATOM 186 O GLU A 16 -15.691 11.904 -5.977 1.00 0.00 O ATOM 187 CB GLU A 16 -18.756 10.523 -5.056 1.00 0.00 C ATOM 188 CG GLU A 16 -19.457 9.176 -5.118 1.00 0.00 C ATOM 189 CD GLU A 16 -18.990 8.329 -6.286 1.00 0.00 C ATOM 190 OE1 GLU A 16 -18.729 8.900 -7.366 1.00 0.00 O ATOM 191 OE2 GLU A 16 -18.887 7.096 -6.120 1.00 0.00 O ATOM 0 H GLU A 16 -17.702 9.645 -3.004 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.853 9.710 -5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.161 11.096 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.980 11.082 -5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.280 8.635 -4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.533 9.334 -5.195 1.00 0.00 H new ATOM 198 N GLU A 17 -17.064 12.791 -4.430 1.00 0.00 N ATOM 199 CA GLU A 17 -16.534 14.142 -4.577 1.00 0.00 C ATOM 200 C GLU A 17 -15.009 14.136 -4.530 1.00 0.00 C ATOM 201 O GLU A 17 -14.348 14.679 -5.415 1.00 0.00 O ATOM 202 CB GLU A 17 -17.086 15.052 -3.478 1.00 0.00 C ATOM 203 CG GLU A 17 -18.599 15.003 -3.349 1.00 0.00 C ATOM 204 CD GLU A 17 -19.161 16.200 -2.607 1.00 0.00 C ATOM 205 OE1 GLU A 17 -18.806 16.383 -1.424 1.00 0.00 O ATOM 206 OE2 GLU A 17 -19.955 16.953 -3.209 1.00 0.00 O ATOM 0 H GLU A 17 -17.810 12.703 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.849 14.525 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.639 14.768 -2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.780 16.078 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.043 14.955 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.886 14.090 -2.828 1.00 0.00 H new ATOM 213 N PHE A 18 -14.457 13.519 -3.490 1.00 0.00 N ATOM 214 CA PHE A 18 -13.010 13.444 -3.326 1.00 0.00 C ATOM 215 C PHE A 18 -12.317 13.285 -4.676 1.00 0.00 C ATOM 216 O PHE A 18 -11.523 14.134 -5.083 1.00 0.00 O ATOM 217 CB PHE A 18 -12.640 12.277 -2.409 1.00 0.00 C ATOM 218 CG PHE A 18 -11.159 12.069 -2.271 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.376 12.995 -1.599 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.549 10.949 -2.812 1.00 0.00 C ATOM 221 CE1 PHE A 18 -9.013 12.807 -1.471 1.00 0.00 C ATOM 222 CE2 PHE A 18 -9.186 10.756 -2.687 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.417 11.685 -2.014 1.00 0.00 C ATOM 0 H PHE A 18 -14.990 13.064 -2.749 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.672 14.375 -2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -13.068 12.451 -1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -13.093 11.364 -2.796 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.836 13.873 -1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.145 10.218 -3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.414 13.537 -0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.723 9.879 -3.115 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.352 11.535 -1.912 1.00 0.00 H new ATOM 233 N LEU A 19 -12.622 12.191 -5.365 1.00 0.00 N ATOM 234 CA LEU A 19 -12.029 11.918 -6.670 1.00 0.00 C ATOM 235 C LEU A 19 -12.057 13.163 -7.552 1.00 0.00 C ATOM 236 O LEU A 19 -11.080 13.475 -8.232 1.00 0.00 O ATOM 237 CB LEU A 19 -12.772 10.773 -7.361 1.00 0.00 C ATOM 238 CG LEU A 19 -12.900 9.477 -6.560 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.816 8.496 -7.276 1.00 0.00 C ATOM 240 CD2 LEU A 19 -11.530 8.857 -6.326 1.00 0.00 C ATOM 0 H LEU A 19 -13.276 11.478 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.990 11.627 -6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.773 11.119 -7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.262 10.549 -8.298 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.340 9.713 -5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.895 7.579 -6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.805 8.940 -7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.405 8.265 -8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.640 7.935 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.062 8.635 -7.285 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.904 9.556 -5.770 1.00 0.00 H new ATOM 252 N ARG A 20 -13.182 13.870 -7.533 1.00 0.00 N ATOM 253 CA ARG A 20 -13.336 15.081 -8.330 1.00 0.00 C ATOM 254 C ARG A 20 -12.359 16.160 -7.874 1.00 0.00 C ATOM 255 O ARG A 20 -11.906 16.979 -8.674 1.00 0.00 O ATOM 256 CB ARG A 20 -14.771 15.602 -8.231 1.00 0.00 C ATOM 257 CG ARG A 20 -15.809 14.638 -8.780 1.00 0.00 C ATOM 258 CD ARG A 20 -17.077 15.364 -9.202 1.00 0.00 C ATOM 259 NE ARG A 20 -17.919 15.705 -8.059 1.00 0.00 N ATOM 260 CZ ARG A 20 -18.848 16.654 -8.088 1.00 0.00 C ATOM 261 NH1 ARG A 20 -19.054 17.351 -9.196 1.00 0.00 N ATOM 262 NH2 ARG A 20 -19.575 16.905 -7.006 1.00 0.00 N ATOM 0 H ARG A 20 -14.000 13.625 -6.975 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.117 14.833 -9.369 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.000 15.813 -7.187 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.844 16.546 -8.771 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.394 14.103 -9.634 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.051 13.892 -8.023 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.812 16.274 -9.741 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.641 14.737 -9.893 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.787 15.186 -7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.498 17.159 -10.030 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.768 18.079 -9.215 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -19.420 16.369 -6.152 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -20.288 17.634 -7.029 1.00 0.00 H new ATOM 276 N ARG A 21 -12.038 16.154 -6.584 1.00 0.00 N ATOM 277 CA ARG A 21 -11.116 17.133 -6.022 1.00 0.00 C ATOM 278 C ARG A 21 -9.673 16.649 -6.135 1.00 0.00 C ATOM 279 O ARG A 21 -8.877 17.213 -6.884 1.00 0.00 O ATOM 280 CB ARG A 21 -11.460 17.406 -4.556 1.00 0.00 C ATOM 281 CG ARG A 21 -12.506 18.493 -4.368 1.00 0.00 C ATOM 282 CD ARG A 21 -11.923 19.876 -4.616 1.00 0.00 C ATOM 283 NE ARG A 21 -12.681 20.920 -3.931 1.00 0.00 N ATOM 284 CZ ARG A 21 -12.548 21.196 -2.639 1.00 0.00 C ATOM 285 NH1 ARG A 21 -11.691 20.510 -1.895 1.00 0.00 N ATOM 286 NH2 ARG A 21 -13.273 22.162 -2.088 1.00 0.00 N ATOM 0 H ARG A 21 -12.403 15.482 -5.909 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.217 18.058 -6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.820 16.484 -4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.552 17.692 -4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.339 18.320 -5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.907 18.442 -3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.887 19.899 -4.278 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.913 20.079 -5.687 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.349 21.467 -4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.131 19.768 -2.315 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.591 20.725 -0.903 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.933 22.693 -2.657 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.171 22.374 -1.095 1.00 0.00 H new ATOM 300 N ASN A 22 -9.345 15.602 -5.386 1.00 0.00 N ATOM 301 CA ASN A 22 -7.999 15.042 -5.402 1.00 0.00 C ATOM 302 C ASN A 22 -7.869 13.965 -6.475 1.00 0.00 C ATOM 303 O ASN A 22 -8.106 12.785 -6.218 1.00 0.00 O ATOM 304 CB ASN A 22 -7.651 14.457 -4.032 1.00 0.00 C ATOM 305 CG ASN A 22 -7.841 15.460 -2.910 1.00 0.00 C ATOM 306 OD1 ASN A 22 -6.892 16.114 -2.479 1.00 0.00 O ATOM 307 ND2 ASN A 22 -9.074 15.585 -2.431 1.00 0.00 N ATOM 0 H ASN A 22 -9.993 15.124 -4.760 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.301 15.847 -5.634 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.275 13.583 -3.844 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.616 14.115 -4.038 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.263 16.244 -1.676 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.831 15.022 -2.819 1.00 0.00 H new ATOM 314 N LYS A 23 -7.491 14.380 -7.679 1.00 0.00 N ATOM 315 CA LYS A 23 -7.327 13.453 -8.792 1.00 0.00 C ATOM 316 C LYS A 23 -5.989 12.727 -8.703 1.00 0.00 C ATOM 317 O LYS A 23 -5.882 11.555 -9.061 1.00 0.00 O ATOM 318 CB LYS A 23 -7.428 14.199 -10.124 1.00 0.00 C ATOM 319 CG LYS A 23 -7.721 13.294 -11.308 1.00 0.00 C ATOM 320 CD LYS A 23 -9.189 12.908 -11.365 1.00 0.00 C ATOM 321 CE LYS A 23 -9.502 12.090 -12.608 1.00 0.00 C ATOM 322 NZ LYS A 23 -8.851 10.751 -12.570 1.00 0.00 N ATOM 0 H LYS A 23 -7.292 15.354 -7.909 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.126 12.713 -8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.213 14.952 -10.050 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.493 14.729 -10.305 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.441 13.800 -12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.110 12.394 -11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.450 12.335 -10.476 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.804 13.808 -11.356 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.581 11.967 -12.699 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.167 12.631 -13.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.156 10.193 -13.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.818 10.867 -12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.124 10.257 -11.696 1.00 0.00 H new ATOM 336 N GLY A 24 -4.969 13.432 -8.223 1.00 0.00 N ATOM 337 CA GLY A 24 -3.651 12.838 -8.095 1.00 0.00 C ATOM 338 C GLY A 24 -2.873 12.868 -9.396 1.00 0.00 C ATOM 339 O GLY A 24 -3.145 13.670 -10.289 1.00 0.00 O ATOM 0 H GLY A 24 -5.032 14.404 -7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.089 13.370 -7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.752 11.806 -7.759 1.00 0.00 H new ATOM 343 N PRO A 25 -1.876 11.978 -9.514 1.00 0.00 N ATOM 344 CA PRO A 25 -1.542 11.018 -8.458 1.00 0.00 C ATOM 345 C PRO A 25 -0.926 11.692 -7.236 1.00 0.00 C ATOM 346 O PRO A 25 -0.394 12.799 -7.328 1.00 0.00 O ATOM 347 CB PRO A 25 -0.524 10.092 -9.128 1.00 0.00 C ATOM 348 CG PRO A 25 0.087 10.919 -10.206 1.00 0.00 C ATOM 349 CD PRO A 25 -0.999 11.840 -10.689 1.00 0.00 C ATOM 0 HA PRO A 25 -2.425 10.501 -8.083 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.228 9.750 -8.417 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.005 9.203 -9.536 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.939 11.485 -9.828 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.456 10.291 -11.017 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.598 12.803 -11.007 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.533 11.420 -11.542 1.00 0.00 H new ATOM 357 N VAL A 26 -1.001 11.018 -6.093 1.00 0.00 N ATOM 358 CA VAL A 26 -0.449 11.552 -4.854 1.00 0.00 C ATOM 359 C VAL A 26 0.845 10.839 -4.477 1.00 0.00 C ATOM 360 O VAL A 26 0.917 9.610 -4.495 1.00 0.00 O ATOM 361 CB VAL A 26 -1.450 11.421 -3.691 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.706 12.231 -3.975 1.00 0.00 C ATOM 363 CG2 VAL A 26 -1.793 9.960 -3.445 1.00 0.00 C ATOM 0 H VAL A 26 -1.439 10.101 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.242 12.608 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.986 11.818 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.402 12.127 -3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.442 13.281 -4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.175 11.866 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.501 9.887 -2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.238 9.534 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.886 9.410 -3.194 1.00 0.00 H new ATOM 373 N SER A 27 1.867 11.619 -4.137 1.00 0.00 N ATOM 374 CA SER A 27 3.160 11.063 -3.759 1.00 0.00 C ATOM 375 C SER A 27 3.258 10.894 -2.245 1.00 0.00 C ATOM 376 O SER A 27 3.248 11.873 -1.499 1.00 0.00 O ATOM 377 CB SER A 27 4.292 11.964 -4.257 1.00 0.00 C ATOM 378 OG SER A 27 5.542 11.551 -3.732 1.00 0.00 O ATOM 0 H SER A 27 1.824 12.638 -4.116 1.00 0.00 H new ATOM 0 HA SER A 27 3.255 10.082 -4.224 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.326 11.941 -5.346 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.095 12.996 -3.966 1.00 0.00 H new ATOM 0 HG SER A 27 6.249 12.142 -4.067 1.00 0.00 H new ATOM 384 N ILE A 28 3.352 9.645 -1.801 1.00 0.00 N ATOM 385 CA ILE A 28 3.452 9.347 -0.378 1.00 0.00 C ATOM 386 C ILE A 28 4.841 8.826 -0.022 1.00 0.00 C ATOM 387 O ILE A 28 5.470 8.117 -0.807 1.00 0.00 O ATOM 388 CB ILE A 28 2.400 8.310 0.056 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.556 7.023 -0.757 1.00 0.00 C ATOM 390 CG2 ILE A 28 0.998 8.878 -0.105 1.00 0.00 C ATOM 391 CD1 ILE A 28 1.969 5.805 -0.078 1.00 0.00 C ATOM 0 H ILE A 28 3.361 8.824 -2.406 1.00 0.00 H new ATOM 0 HA ILE A 28 3.269 10.281 0.153 1.00 0.00 H new ATOM 0 HB ILE A 28 2.556 8.074 1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.076 7.155 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.615 6.848 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.266 8.133 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.893 9.770 0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.829 9.139 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.116 4.930 -0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.465 5.648 0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.903 5.959 0.087 1.00 0.00 H new ATOM 403 N LYS A 29 5.313 9.181 1.169 1.00 0.00 N ATOM 404 CA LYS A 29 6.625 8.747 1.632 1.00 0.00 C ATOM 405 C LYS A 29 6.497 7.808 2.827 1.00 0.00 C ATOM 406 O LYS A 29 5.970 8.185 3.873 1.00 0.00 O ATOM 407 CB LYS A 29 7.481 9.958 2.012 1.00 0.00 C ATOM 408 CG LYS A 29 8.973 9.721 1.858 1.00 0.00 C ATOM 409 CD LYS A 29 9.773 10.971 2.183 1.00 0.00 C ATOM 410 CE LYS A 29 11.255 10.773 1.904 1.00 0.00 C ATOM 411 NZ LYS A 29 11.922 12.047 1.518 1.00 0.00 N ATOM 0 H LYS A 29 4.806 9.768 1.831 1.00 0.00 H new ATOM 0 HA LYS A 29 7.109 8.208 0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.191 10.806 1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.270 10.231 3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.283 8.909 2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.189 9.405 0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.399 11.807 1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.631 11.233 3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.740 10.363 2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.380 10.041 1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.931 11.870 1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.476 12.425 0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.826 12.737 2.290 1.00 0.00 H new ATOM 425 N VAL A 30 6.984 6.581 2.664 1.00 0.00 N ATOM 426 CA VAL A 30 6.927 5.588 3.730 1.00 0.00 C ATOM 427 C VAL A 30 8.179 5.640 4.597 1.00 0.00 C ATOM 428 O VAL A 30 9.275 5.317 4.140 1.00 0.00 O ATOM 429 CB VAL A 30 6.766 4.165 3.163 1.00 0.00 C ATOM 430 CG1 VAL A 30 6.794 3.138 4.284 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.480 4.055 2.359 1.00 0.00 C ATOM 0 H VAL A 30 7.422 6.252 1.804 1.00 0.00 H new ATOM 0 HA VAL A 30 6.057 5.828 4.340 1.00 0.00 H new ATOM 0 HB VAL A 30 7.603 3.961 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.679 2.138 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.745 3.202 4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.978 3.336 4.979 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.382 3.043 1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.629 4.278 3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.506 4.765 1.532 1.00 0.00 H new ATOM 441 N GLN A 31 8.008 6.047 5.851 1.00 0.00 N ATOM 442 CA GLN A 31 9.126 6.141 6.782 1.00 0.00 C ATOM 443 C GLN A 31 9.452 4.777 7.381 1.00 0.00 C ATOM 444 O GLN A 31 8.791 4.323 8.315 1.00 0.00 O ATOM 445 CB GLN A 31 8.805 7.137 7.898 1.00 0.00 C ATOM 446 CG GLN A 31 10.033 7.628 8.648 1.00 0.00 C ATOM 447 CD GLN A 31 11.015 6.513 8.952 1.00 0.00 C ATOM 448 OE1 GLN A 31 12.019 6.347 8.258 1.00 0.00 O ATOM 449 NE2 GLN A 31 10.731 5.742 9.995 1.00 0.00 N ATOM 0 H GLN A 31 7.107 6.317 6.245 1.00 0.00 H new ATOM 0 HA GLN A 31 9.997 6.493 6.230 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.284 7.994 7.470 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.121 6.669 8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.532 8.396 8.057 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.721 8.097 9.581 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.888 5.915 10.543 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.356 4.977 10.249 1.00 0.00 H new ATOM 458 N VAL A 32 10.475 4.126 6.835 1.00 0.00 N ATOM 459 CA VAL A 32 10.889 2.813 7.316 1.00 0.00 C ATOM 460 C VAL A 32 11.866 2.937 8.479 1.00 0.00 C ATOM 461 O VAL A 32 12.989 3.419 8.331 1.00 0.00 O ATOM 462 CB VAL A 32 11.546 1.987 6.194 1.00 0.00 C ATOM 463 CG1 VAL A 32 11.956 0.616 6.710 1.00 0.00 C ATOM 464 CG2 VAL A 32 10.605 1.859 5.006 1.00 0.00 C ATOM 0 H VAL A 32 11.032 4.486 6.060 1.00 0.00 H new ATOM 0 HA VAL A 32 9.988 2.301 7.655 1.00 0.00 H new ATOM 0 HB VAL A 32 12.444 2.507 5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.418 0.047 5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.669 0.733 7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.075 0.085 7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.085 1.273 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.687 1.362 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.367 2.851 4.622 1.00 0.00 H new ATOM 474 N PRO A 33 11.431 2.491 9.667 1.00 0.00 N ATOM 475 CA PRO A 33 12.253 2.540 10.880 1.00 0.00 C ATOM 476 C PRO A 33 13.420 1.560 10.830 1.00 0.00 C ATOM 477 O PRO A 33 13.633 0.885 9.824 1.00 0.00 O ATOM 478 CB PRO A 33 11.272 2.147 11.988 1.00 0.00 C ATOM 479 CG PRO A 33 10.232 1.332 11.302 1.00 0.00 C ATOM 480 CD PRO A 33 10.104 1.904 9.917 1.00 0.00 C ATOM 0 HA PRO A 33 12.711 3.519 11.023 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.769 1.576 12.772 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.837 3.027 12.462 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.521 0.282 11.265 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.282 1.383 11.834 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.861 1.134 9.185 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.316 2.655 9.864 1.00 0.00 H new ATOM 488 N ASN A 34 14.174 1.488 11.922 1.00 0.00 N ATOM 489 CA ASN A 34 15.320 0.591 12.002 1.00 0.00 C ATOM 490 C ASN A 34 15.106 -0.472 13.076 1.00 0.00 C ATOM 491 O ASN A 34 15.278 -0.210 14.266 1.00 0.00 O ATOM 492 CB ASN A 34 16.595 1.383 12.300 1.00 0.00 C ATOM 493 CG ASN A 34 17.608 0.574 13.087 1.00 0.00 C ATOM 494 OD1 ASN A 34 18.188 -0.383 12.574 1.00 0.00 O ATOM 495 ND2 ASN A 34 17.825 0.956 14.340 1.00 0.00 N ATOM 0 H ASN A 34 14.012 2.041 12.764 1.00 0.00 H new ATOM 0 HA ASN A 34 15.427 0.092 11.039 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.044 1.709 11.362 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.338 2.282 12.860 1.00 0.00 H new ATOM 0 HD21 ASN A 34 18.495 0.450 14.919 1.00 0.00 H new ATOM 0 HD22 ASN A 34 17.321 1.756 14.724 1.00 0.00 H new ATOM 502 N MET A 35 14.730 -1.672 12.646 1.00 0.00 N ATOM 503 CA MET A 35 14.494 -2.775 13.571 1.00 0.00 C ATOM 504 C MET A 35 15.775 -3.567 13.810 1.00 0.00 C ATOM 505 O MET A 35 16.172 -4.385 12.981 1.00 0.00 O ATOM 506 CB MET A 35 13.402 -3.699 13.028 1.00 0.00 C ATOM 507 CG MET A 35 11.998 -3.292 13.445 1.00 0.00 C ATOM 508 SD MET A 35 11.618 -1.580 13.028 1.00 0.00 S ATOM 509 CE MET A 35 10.492 -1.151 14.353 1.00 0.00 C ATOM 0 H MET A 35 14.582 -1.905 11.664 1.00 0.00 H new ATOM 0 HA MET A 35 14.165 -2.356 14.522 1.00 0.00 H new ATOM 0 HB2 MET A 35 13.459 -3.714 11.940 1.00 0.00 H new ATOM 0 HB3 MET A 35 13.594 -4.716 13.372 1.00 0.00 H new ATOM 0 HG2 MET A 35 11.275 -3.949 12.961 1.00 0.00 H new ATOM 0 HG3 MET A 35 11.887 -3.433 14.520 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.699 -0.136 14.692 1.00 0.00 H new ATOM 0 HE2 MET A 35 9.465 -1.210 13.992 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.625 -1.845 15.183 1.00 0.00 H new ATOM 519 N GLN A 36 16.416 -3.319 14.947 1.00 0.00 N ATOM 520 CA GLN A 36 17.652 -4.009 15.294 1.00 0.00 C ATOM 521 C GLN A 36 17.362 -5.294 16.063 1.00 0.00 C ATOM 522 O GLN A 36 18.279 -6.011 16.461 1.00 0.00 O ATOM 523 CB GLN A 36 18.555 -3.096 16.125 1.00 0.00 C ATOM 524 CG GLN A 36 19.519 -2.269 15.290 1.00 0.00 C ATOM 525 CD GLN A 36 20.763 -1.869 16.059 1.00 0.00 C ATOM 526 OE1 GLN A 36 21.164 -2.543 17.008 1.00 0.00 O ATOM 527 NE2 GLN A 36 21.381 -0.766 15.652 1.00 0.00 N ATOM 0 H GLN A 36 16.100 -2.645 15.644 1.00 0.00 H new ATOM 0 HA GLN A 36 18.164 -4.270 14.368 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.933 -2.425 16.717 1.00 0.00 H new ATOM 0 HB3 GLN A 36 19.125 -3.704 16.827 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.810 -2.839 14.407 1.00 0.00 H new ATOM 0 HG3 GLN A 36 19.010 -1.372 14.937 1.00 0.00 H new ATOM 0 HE21 GLN A 36 21.013 -0.238 14.860 1.00 0.00 H new ATOM 0 HE22 GLN A 36 22.223 -0.447 16.131 1.00 0.00 H new ATOM 536 N ASP A 37 16.080 -5.577 16.268 1.00 0.00 N ATOM 537 CA ASP A 37 15.668 -6.776 16.989 1.00 0.00 C ATOM 538 C ASP A 37 15.834 -8.018 16.118 1.00 0.00 C ATOM 539 O ASP A 37 14.948 -8.871 16.059 1.00 0.00 O ATOM 540 CB ASP A 37 14.214 -6.648 17.445 1.00 0.00 C ATOM 541 CG ASP A 37 13.857 -5.231 17.849 1.00 0.00 C ATOM 542 OD1 ASP A 37 14.545 -4.673 18.728 1.00 0.00 O ATOM 543 OD2 ASP A 37 12.888 -4.681 17.285 1.00 0.00 O ATOM 0 H ASP A 37 15.309 -4.993 15.945 1.00 0.00 H new ATOM 0 HA ASP A 37 16.307 -6.881 17.865 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.554 -6.970 16.640 1.00 0.00 H new ATOM 0 HB3 ASP A 37 14.040 -7.318 18.287 1.00 0.00 H new ATOM 548 N LYS A 38 16.974 -8.112 15.441 1.00 0.00 N ATOM 549 CA LYS A 38 17.257 -9.249 14.573 1.00 0.00 C ATOM 550 C LYS A 38 15.977 -9.774 13.930 1.00 0.00 C ATOM 551 O LYS A 38 15.654 -10.957 14.042 1.00 0.00 O ATOM 552 CB LYS A 38 17.937 -10.366 15.367 1.00 0.00 C ATOM 553 CG LYS A 38 18.676 -11.368 14.496 1.00 0.00 C ATOM 554 CD LYS A 38 19.992 -10.802 13.989 1.00 0.00 C ATOM 555 CE LYS A 38 20.582 -11.666 12.886 1.00 0.00 C ATOM 556 NZ LYS A 38 19.736 -11.655 11.660 1.00 0.00 N ATOM 0 H LYS A 38 17.717 -7.414 15.477 1.00 0.00 H new ATOM 0 HA LYS A 38 17.928 -8.913 13.783 1.00 0.00 H new ATOM 0 HB2 LYS A 38 18.640 -9.923 16.073 1.00 0.00 H new ATOM 0 HB3 LYS A 38 17.185 -10.893 15.954 1.00 0.00 H new ATOM 0 HG2 LYS A 38 18.866 -12.277 15.066 1.00 0.00 H new ATOM 0 HG3 LYS A 38 18.049 -11.648 13.649 1.00 0.00 H new ATOM 0 HD2 LYS A 38 19.834 -9.790 13.615 1.00 0.00 H new ATOM 0 HD3 LYS A 38 20.700 -10.730 14.814 1.00 0.00 H new ATOM 0 HE2 LYS A 38 21.582 -11.309 12.640 1.00 0.00 H new ATOM 0 HE3 LYS A 38 20.689 -12.690 13.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 20.305 -11.955 10.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.937 -12.309 11.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 19.375 -10.694 11.496 1.00 0.00 H new ATOM 570 N THR A 39 15.252 -8.888 13.255 1.00 0.00 N ATOM 571 CA THR A 39 14.008 -9.263 12.594 1.00 0.00 C ATOM 572 C THR A 39 14.244 -9.590 11.124 1.00 0.00 C ATOM 573 O THR A 39 15.235 -9.160 10.534 1.00 0.00 O ATOM 574 CB THR A 39 12.958 -8.141 12.696 1.00 0.00 C ATOM 575 OG1 THR A 39 11.814 -8.467 11.899 1.00 0.00 O ATOM 576 CG2 THR A 39 13.539 -6.812 12.239 1.00 0.00 C ATOM 0 H THR A 39 15.505 -7.905 13.152 1.00 0.00 H new ATOM 0 HA THR A 39 13.633 -10.150 13.105 1.00 0.00 H new ATOM 0 HB THR A 39 12.659 -8.048 13.740 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.240 -7.678 11.813 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.779 -6.035 12.320 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.391 -6.552 12.867 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.864 -6.894 11.202 1.00 0.00 H new ATOM 584 N GLU A 40 13.327 -10.353 10.538 1.00 0.00 N ATOM 585 CA GLU A 40 13.437 -10.738 9.136 1.00 0.00 C ATOM 586 C GLU A 40 12.807 -9.682 8.231 1.00 0.00 C ATOM 587 O GLU A 40 12.303 -9.995 7.152 1.00 0.00 O ATOM 588 CB GLU A 40 12.765 -12.092 8.901 1.00 0.00 C ATOM 589 CG GLU A 40 11.273 -12.090 9.190 1.00 0.00 C ATOM 590 CD GLU A 40 10.962 -12.348 10.651 1.00 0.00 C ATOM 591 OE1 GLU A 40 11.343 -13.424 11.159 1.00 0.00 O ATOM 592 OE2 GLU A 40 10.336 -11.474 11.287 1.00 0.00 O ATOM 0 H GLU A 40 12.500 -10.717 11.012 1.00 0.00 H new ATOM 0 HA GLU A 40 14.496 -10.819 8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.925 -12.393 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.247 -12.841 9.529 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.851 -11.129 8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.787 -12.851 8.579 1.00 0.00 H new ATOM 599 N TRP A 41 12.839 -8.433 8.680 1.00 0.00 N ATOM 600 CA TRP A 41 12.271 -7.330 7.912 1.00 0.00 C ATOM 601 C TRP A 41 13.346 -6.318 7.535 1.00 0.00 C ATOM 602 O TRP A 41 14.084 -5.832 8.393 1.00 0.00 O ATOM 603 CB TRP A 41 11.163 -6.643 8.711 1.00 0.00 C ATOM 604 CG TRP A 41 10.063 -7.573 9.123 1.00 0.00 C ATOM 605 CD1 TRP A 41 9.700 -8.738 8.508 1.00 0.00 C ATOM 606 CD2 TRP A 41 9.181 -7.416 10.240 1.00 0.00 C ATOM 607 NE1 TRP A 41 8.647 -9.314 9.176 1.00 0.00 N ATOM 608 CE2 TRP A 41 8.310 -8.523 10.243 1.00 0.00 C ATOM 609 CE3 TRP A 41 9.044 -6.449 11.240 1.00 0.00 C ATOM 610 CZ2 TRP A 41 7.317 -8.687 11.205 1.00 0.00 C ATOM 611 CZ3 TRP A 41 8.058 -6.613 12.194 1.00 0.00 C ATOM 612 CH2 TRP A 41 7.205 -7.725 12.172 1.00 0.00 C ATOM 0 H TRP A 41 13.252 -8.158 9.571 1.00 0.00 H new ATOM 0 HA TRP A 41 11.847 -7.739 6.995 1.00 0.00 H new ATOM 0 HB2 TRP A 41 11.596 -6.187 9.601 1.00 0.00 H new ATOM 0 HB3 TRP A 41 10.741 -5.835 8.113 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.172 -9.146 7.626 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.190 -10.189 8.919 1.00 0.00 H new ATOM 0 HE3 TRP A 41 9.697 -5.589 11.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 6.659 -9.543 11.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.943 -5.871 12.970 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.445 -7.825 12.933 1.00 0.00 H new ATOM 623 N LYS A 42 13.432 -6.003 6.247 1.00 0.00 N ATOM 624 CA LYS A 42 14.417 -5.046 5.757 1.00 0.00 C ATOM 625 C LYS A 42 14.104 -3.639 6.255 1.00 0.00 C ATOM 626 O LYS A 42 13.602 -2.801 5.505 1.00 0.00 O ATOM 627 CB LYS A 42 14.454 -5.060 4.227 1.00 0.00 C ATOM 628 CG LYS A 42 14.840 -6.407 3.640 1.00 0.00 C ATOM 629 CD LYS A 42 16.331 -6.667 3.775 1.00 0.00 C ATOM 630 CE LYS A 42 16.717 -8.016 3.187 1.00 0.00 C ATOM 631 NZ LYS A 42 18.088 -8.427 3.597 1.00 0.00 N ATOM 0 H LYS A 42 12.831 -6.397 5.523 1.00 0.00 H new ATOM 0 HA LYS A 42 15.394 -5.339 6.141 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.474 -4.774 3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.162 -4.306 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.285 -7.198 4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.558 -6.441 2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 42 16.886 -5.877 3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.614 -6.633 4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.000 -8.771 3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.662 -7.967 2.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.314 -9.351 3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 18.775 -7.719 3.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 18.134 -8.498 4.634 1.00 0.00 H new ATOM 645 N LEU A 43 14.404 -3.385 7.524 1.00 0.00 N ATOM 646 CA LEU A 43 14.156 -2.078 8.123 1.00 0.00 C ATOM 647 C LEU A 43 15.446 -1.477 8.670 1.00 0.00 C ATOM 648 O LEU A 43 15.877 -1.808 9.774 1.00 0.00 O ATOM 649 CB LEU A 43 13.119 -2.196 9.242 1.00 0.00 C ATOM 650 CG LEU A 43 11.843 -2.963 8.896 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.103 -3.368 10.162 1.00 0.00 C ATOM 652 CD2 LEU A 43 10.945 -2.127 7.996 1.00 0.00 C ATOM 0 H LEU A 43 14.820 -4.067 8.158 1.00 0.00 H new ATOM 0 HA LEU A 43 13.770 -1.417 7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.590 -2.681 10.097 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.840 -1.191 9.559 1.00 0.00 H new ATOM 0 HG LEU A 43 12.122 -3.869 8.357 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.197 -3.913 9.896 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.745 -4.006 10.770 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.836 -2.476 10.729 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.041 -2.689 7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.674 -1.204 8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.475 -1.888 7.074 1.00 0.00 H new ATOM 664 N ASN A 44 16.056 -0.589 7.892 1.00 0.00 N ATOM 665 CA ASN A 44 17.296 0.061 8.300 1.00 0.00 C ATOM 666 C ASN A 44 17.244 1.559 8.016 1.00 0.00 C ATOM 667 O ASN A 44 17.872 2.046 7.077 1.00 0.00 O ATOM 668 CB ASN A 44 18.487 -0.566 7.573 1.00 0.00 C ATOM 669 CG ASN A 44 18.586 -2.061 7.807 1.00 0.00 C ATOM 670 OD1 ASN A 44 17.577 -2.766 7.817 1.00 0.00 O ATOM 671 ND2 ASN A 44 19.805 -2.551 7.997 1.00 0.00 N ATOM 0 H ASN A 44 15.712 -0.303 6.975 1.00 0.00 H new ATOM 0 HA ASN A 44 17.417 -0.083 9.374 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.399 -0.374 6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 44 19.407 -0.087 7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 44 19.934 -3.550 8.160 1.00 0.00 H new ATOM 0 HD22 ASN A 44 20.613 -1.929 7.980 1.00 0.00 H new ATOM 678 N GLY A 45 16.490 2.286 8.836 1.00 0.00 N ATOM 679 CA GLY A 45 16.370 3.721 8.657 1.00 0.00 C ATOM 680 C GLY A 45 16.419 4.130 7.198 1.00 0.00 C ATOM 681 O GLY A 45 17.478 4.485 6.682 1.00 0.00 O ATOM 0 H GLY A 45 15.960 1.906 9.621 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.432 4.061 9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.174 4.220 9.198 1.00 0.00 H new ATOM 685 N GLN A 46 15.270 4.077 6.532 1.00 0.00 N ATOM 686 CA GLN A 46 15.187 4.443 5.123 1.00 0.00 C ATOM 687 C GLN A 46 13.819 5.031 4.793 1.00 0.00 C ATOM 688 O GLN A 46 12.887 4.945 5.590 1.00 0.00 O ATOM 689 CB GLN A 46 15.456 3.222 4.241 1.00 0.00 C ATOM 690 CG GLN A 46 14.344 2.187 4.280 1.00 0.00 C ATOM 691 CD GLN A 46 14.583 1.038 3.319 1.00 0.00 C ATOM 692 OE1 GLN A 46 15.570 1.024 2.583 1.00 0.00 O ATOM 693 NE2 GLN A 46 13.677 0.067 3.321 1.00 0.00 N ATOM 0 H GLN A 46 14.384 3.784 6.945 1.00 0.00 H new ATOM 0 HA GLN A 46 15.945 5.200 4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.598 3.552 3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.388 2.754 4.557 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.252 1.795 5.293 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.396 2.668 4.037 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.874 0.120 3.948 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.784 -0.732 2.696 1.00 0.00 H new ATOM 702 N GLY A 47 13.708 5.631 3.611 1.00 0.00 N ATOM 703 CA GLY A 47 12.451 6.226 3.197 1.00 0.00 C ATOM 704 C GLY A 47 12.073 5.852 1.778 1.00 0.00 C ATOM 705 O GLY A 47 12.887 5.963 0.860 1.00 0.00 O ATOM 0 H GLY A 47 14.466 5.715 2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.660 5.907 3.876 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.522 7.311 3.277 1.00 0.00 H new ATOM 709 N LEU A 48 10.835 5.406 1.595 1.00 0.00 N ATOM 710 CA LEU A 48 10.350 5.012 0.277 1.00 0.00 C ATOM 711 C LEU A 48 9.326 6.013 -0.248 1.00 0.00 C ATOM 712 O LEU A 48 8.614 6.653 0.527 1.00 0.00 O ATOM 713 CB LEU A 48 9.731 3.615 0.336 1.00 0.00 C ATOM 714 CG LEU A 48 10.636 2.501 0.864 1.00 0.00 C ATOM 715 CD1 LEU A 48 9.881 1.182 0.922 1.00 0.00 C ATOM 716 CD2 LEU A 48 11.879 2.368 -0.004 1.00 0.00 C ATOM 0 H LEU A 48 10.149 5.308 2.343 1.00 0.00 H new ATOM 0 HA LEU A 48 11.199 4.997 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.841 3.660 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.401 3.343 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 48 10.949 2.762 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.541 0.401 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.022 1.283 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.538 0.915 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.512 1.571 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.585 2.130 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.432 3.307 0.006 1.00 0.00 H new ATOM 728 N VAL A 49 9.254 6.141 -1.569 1.00 0.00 N ATOM 729 CA VAL A 49 8.314 7.061 -2.198 1.00 0.00 C ATOM 730 C VAL A 49 7.626 6.412 -3.393 1.00 0.00 C ATOM 731 O VAL A 49 8.264 5.735 -4.199 1.00 0.00 O ATOM 732 CB VAL A 49 9.017 8.351 -2.663 1.00 0.00 C ATOM 733 CG1 VAL A 49 8.032 9.273 -3.364 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.672 9.054 -1.484 1.00 0.00 C ATOM 0 H VAL A 49 9.836 5.619 -2.224 1.00 0.00 H new ATOM 0 HA VAL A 49 7.567 7.314 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 49 9.797 8.083 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.547 10.179 -3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.614 8.765 -4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.228 9.537 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.164 9.963 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.912 9.311 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.410 8.392 -1.030 1.00 0.00 H new ATOM 744 N PHE A 50 6.318 6.624 -3.503 1.00 0.00 N ATOM 745 CA PHE A 50 5.542 6.058 -4.600 1.00 0.00 C ATOM 746 C PHE A 50 4.432 7.014 -5.029 1.00 0.00 C ATOM 747 O PHE A 50 3.689 7.536 -4.198 1.00 0.00 O ATOM 748 CB PHE A 50 4.941 4.713 -4.187 1.00 0.00 C ATOM 749 CG PHE A 50 5.912 3.816 -3.474 1.00 0.00 C ATOM 750 CD1 PHE A 50 6.999 3.279 -4.144 1.00 0.00 C ATOM 751 CD2 PHE A 50 5.737 3.510 -2.134 1.00 0.00 C ATOM 752 CE1 PHE A 50 7.895 2.453 -3.491 1.00 0.00 C ATOM 753 CE2 PHE A 50 6.629 2.686 -1.476 1.00 0.00 C ATOM 754 CZ PHE A 50 7.709 2.156 -2.155 1.00 0.00 C ATOM 0 H PHE A 50 5.774 7.183 -2.846 1.00 0.00 H new ATOM 0 HA PHE A 50 6.212 5.904 -5.445 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.082 4.891 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.571 4.201 -5.075 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.148 3.508 -5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.894 3.920 -1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.739 2.041 -4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.482 2.456 -0.431 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.407 1.511 -1.642 1.00 0.00 H new ATOM 764 N THR A 51 4.326 7.239 -6.335 1.00 0.00 N ATOM 765 CA THR A 51 3.309 8.132 -6.877 1.00 0.00 C ATOM 766 C THR A 51 2.167 7.346 -7.511 1.00 0.00 C ATOM 767 O THR A 51 2.306 6.807 -8.610 1.00 0.00 O ATOM 768 CB THR A 51 3.904 9.089 -7.927 1.00 0.00 C ATOM 769 OG1 THR A 51 5.002 9.814 -7.363 1.00 0.00 O ATOM 770 CG2 THR A 51 2.849 10.064 -8.429 1.00 0.00 C ATOM 0 H THR A 51 4.932 6.815 -7.037 1.00 0.00 H new ATOM 0 HA THR A 51 2.923 8.716 -6.041 1.00 0.00 H new ATOM 0 HB THR A 51 4.257 8.495 -8.770 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.376 10.419 -8.038 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.292 10.730 -9.170 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.028 9.510 -8.884 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.470 10.652 -7.593 1.00 0.00 H new ATOM 778 N LEU A 52 1.039 7.284 -6.813 1.00 0.00 N ATOM 779 CA LEU A 52 -0.129 6.563 -7.308 1.00 0.00 C ATOM 780 C LEU A 52 -1.415 7.301 -6.952 1.00 0.00 C ATOM 781 O LEU A 52 -1.554 7.871 -5.870 1.00 0.00 O ATOM 782 CB LEU A 52 -0.162 5.147 -6.729 1.00 0.00 C ATOM 783 CG LEU A 52 1.187 4.437 -6.615 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.067 3.202 -5.736 1.00 0.00 C ATOM 785 CD2 LEU A 52 1.711 4.063 -7.994 1.00 0.00 C ATOM 0 H LEU A 52 0.908 7.724 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.055 6.503 -8.394 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.611 5.192 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.819 4.538 -7.349 1.00 0.00 H new ATOM 0 HG LEU A 52 1.898 5.121 -6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.037 2.709 -5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.737 3.495 -4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.341 2.515 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.672 3.559 -7.894 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.001 3.397 -8.485 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.836 4.965 -8.593 1.00 0.00 H new ATOM 797 N PRO A 53 -2.381 7.289 -7.883 1.00 0.00 N ATOM 798 CA PRO A 53 -3.675 7.950 -7.689 1.00 0.00 C ATOM 799 C PRO A 53 -4.536 7.245 -6.646 1.00 0.00 C ATOM 800 O PRO A 53 -4.230 6.128 -6.225 1.00 0.00 O ATOM 801 CB PRO A 53 -4.329 7.861 -9.070 1.00 0.00 C ATOM 802 CG PRO A 53 -3.696 6.676 -9.714 1.00 0.00 C ATOM 803 CD PRO A 53 -2.285 6.628 -9.196 1.00 0.00 C ATOM 0 HA PRO A 53 -3.560 8.970 -7.321 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.409 7.738 -8.989 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.154 8.767 -9.650 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.235 5.762 -9.464 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.710 6.768 -10.800 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.925 5.603 -9.105 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.595 7.150 -9.859 1.00 0.00 H new ATOM 811 N LEU A 54 -5.613 7.903 -6.232 1.00 0.00 N ATOM 812 CA LEU A 54 -6.519 7.339 -5.238 1.00 0.00 C ATOM 813 C LEU A 54 -7.619 6.520 -5.906 1.00 0.00 C ATOM 814 O LEU A 54 -8.712 7.024 -6.167 1.00 0.00 O ATOM 815 CB LEU A 54 -7.139 8.453 -4.393 1.00 0.00 C ATOM 816 CG LEU A 54 -6.172 9.244 -3.511 1.00 0.00 C ATOM 817 CD1 LEU A 54 -5.328 8.302 -2.666 1.00 0.00 C ATOM 818 CD2 LEU A 54 -5.284 10.139 -4.363 1.00 0.00 C ATOM 0 H LEU A 54 -5.880 8.828 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.942 6.679 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.643 9.151 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.905 8.014 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.755 9.876 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.646 8.883 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.979 7.703 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.754 7.644 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.602 10.694 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.709 9.526 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.904 10.838 -4.924 1.00 0.00 H new ATOM 830 N THR A 55 -7.324 5.253 -6.178 1.00 0.00 N ATOM 831 CA THR A 55 -8.288 4.363 -6.815 1.00 0.00 C ATOM 832 C THR A 55 -8.459 3.076 -6.016 1.00 0.00 C ATOM 833 O THR A 55 -9.579 2.681 -5.690 1.00 0.00 O ATOM 834 CB THR A 55 -7.861 4.009 -8.252 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.447 3.792 -8.304 1.00 0.00 O ATOM 836 CG2 THR A 55 -8.246 5.118 -9.219 1.00 0.00 C ATOM 0 H THR A 55 -6.425 4.819 -5.967 1.00 0.00 H new ATOM 0 HA THR A 55 -9.238 4.896 -6.847 1.00 0.00 H new ATOM 0 HB THR A 55 -8.378 3.096 -8.547 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.184 3.566 -9.221 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.934 4.846 -10.227 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.327 5.259 -9.199 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.753 6.045 -8.925 1.00 0.00 H new ATOM 844 N ASP A 56 -7.344 2.427 -5.702 1.00 0.00 N ATOM 845 CA ASP A 56 -7.371 1.185 -4.939 1.00 0.00 C ATOM 846 C ASP A 56 -7.358 1.468 -3.440 1.00 0.00 C ATOM 847 O ASP A 56 -7.428 2.621 -3.016 1.00 0.00 O ATOM 848 CB ASP A 56 -6.178 0.304 -5.314 1.00 0.00 C ATOM 849 CG ASP A 56 -6.477 -0.605 -6.490 1.00 0.00 C ATOM 850 OD1 ASP A 56 -6.485 -0.109 -7.636 1.00 0.00 O ATOM 851 OD2 ASP A 56 -6.703 -1.812 -6.264 1.00 0.00 O ATOM 0 H ASP A 56 -6.409 2.740 -5.964 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.293 0.658 -5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.324 0.937 -5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.892 -0.301 -4.454 1.00 0.00 H new ATOM 856 N GLN A 57 -7.270 0.407 -2.643 1.00 0.00 N ATOM 857 CA GLN A 57 -7.250 0.542 -1.192 1.00 0.00 C ATOM 858 C GLN A 57 -5.821 0.683 -0.677 1.00 0.00 C ATOM 859 O GLN A 57 -4.874 0.766 -1.460 1.00 0.00 O ATOM 860 CB GLN A 57 -7.925 -0.664 -0.537 1.00 0.00 C ATOM 861 CG GLN A 57 -9.421 -0.738 -0.792 1.00 0.00 C ATOM 862 CD GLN A 57 -9.984 -2.127 -0.568 1.00 0.00 C ATOM 863 OE1 GLN A 57 -9.319 -3.129 -0.834 1.00 0.00 O ATOM 864 NE2 GLN A 57 -11.216 -2.195 -0.077 1.00 0.00 N ATOM 0 H GLN A 57 -7.211 -0.555 -2.978 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.801 1.445 -0.929 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.457 -1.576 -0.906 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.750 -0.628 0.538 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.933 -0.033 -0.137 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.627 -0.428 -1.816 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.731 -1.339 0.129 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.647 -3.103 0.094 1.00 0.00 H new ATOM 873 N VAL A 58 -5.673 0.708 0.643 1.00 0.00 N ATOM 874 CA VAL A 58 -4.359 0.837 1.263 1.00 0.00 C ATOM 875 C VAL A 58 -3.500 -0.392 0.990 1.00 0.00 C ATOM 876 O VAL A 58 -2.295 -0.387 1.240 1.00 0.00 O ATOM 877 CB VAL A 58 -4.474 1.043 2.785 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.095 1.073 3.425 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.243 2.319 3.093 1.00 0.00 C ATOM 0 H VAL A 58 -6.447 0.641 1.304 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.885 1.713 0.821 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.026 0.203 3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.196 1.219 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.584 0.129 3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.515 1.892 3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.315 2.449 4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.721 3.172 2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.245 2.252 2.668 1.00 0.00 H new ATOM 889 N SER A 59 -4.128 -1.444 0.475 1.00 0.00 N ATOM 890 CA SER A 59 -3.421 -2.683 0.171 1.00 0.00 C ATOM 891 C SER A 59 -2.284 -2.431 -0.815 1.00 0.00 C ATOM 892 O SER A 59 -1.134 -2.787 -0.558 1.00 0.00 O ATOM 893 CB SER A 59 -4.389 -3.719 -0.403 1.00 0.00 C ATOM 894 OG SER A 59 -5.151 -3.172 -1.466 1.00 0.00 O ATOM 0 H SER A 59 -5.125 -1.463 0.259 1.00 0.00 H new ATOM 0 HA SER A 59 -2.996 -3.068 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.831 -4.585 -0.760 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.057 -4.072 0.383 1.00 0.00 H new ATOM 0 HG SER A 59 -5.761 -3.855 -1.817 1.00 0.00 H new ATOM 900 N VAL A 60 -2.615 -1.816 -1.946 1.00 0.00 N ATOM 901 CA VAL A 60 -1.623 -1.516 -2.971 1.00 0.00 C ATOM 902 C VAL A 60 -0.426 -0.779 -2.379 1.00 0.00 C ATOM 903 O VAL A 60 0.661 -0.777 -2.957 1.00 0.00 O ATOM 904 CB VAL A 60 -2.226 -0.665 -4.104 1.00 0.00 C ATOM 905 CG1 VAL A 60 -3.451 -1.349 -4.692 1.00 0.00 C ATOM 906 CG2 VAL A 60 -2.575 0.727 -3.597 1.00 0.00 C ATOM 0 H VAL A 60 -3.563 -1.516 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.292 -2.471 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.482 -0.564 -4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.863 -0.733 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.167 -2.322 -5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.202 -1.483 -3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.000 1.315 -4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.302 0.648 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.674 1.216 -3.228 1.00 0.00 H new ATOM 916 N ILE A 61 -0.635 -0.156 -1.225 1.00 0.00 N ATOM 917 CA ILE A 61 0.428 0.583 -0.553 1.00 0.00 C ATOM 918 C ILE A 61 1.270 -0.339 0.321 1.00 0.00 C ATOM 919 O ILE A 61 2.494 -0.214 0.377 1.00 0.00 O ATOM 920 CB ILE A 61 -0.140 1.719 0.317 1.00 0.00 C ATOM 921 CG1 ILE A 61 -0.516 2.920 -0.555 1.00 0.00 C ATOM 922 CG2 ILE A 61 0.868 2.126 1.381 1.00 0.00 C ATOM 923 CD1 ILE A 61 -1.666 3.732 -0.002 1.00 0.00 C ATOM 0 H ILE A 61 -1.530 -0.148 -0.735 1.00 0.00 H new ATOM 0 HA ILE A 61 1.056 1.013 -1.333 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.040 1.359 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.355 3.566 -0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.778 2.567 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.452 2.930 1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.091 1.270 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.784 2.470 0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.877 4.566 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.550 3.100 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.400 4.115 0.983 1.00 0.00 H new ATOM 935 N LYS A 62 0.608 -1.268 1.003 1.00 0.00 N ATOM 936 CA LYS A 62 1.295 -2.215 1.873 1.00 0.00 C ATOM 937 C LYS A 62 2.126 -3.200 1.057 1.00 0.00 C ATOM 938 O LYS A 62 3.242 -3.551 1.439 1.00 0.00 O ATOM 939 CB LYS A 62 0.283 -2.975 2.734 1.00 0.00 C ATOM 940 CG LYS A 62 -0.329 -2.133 3.840 1.00 0.00 C ATOM 941 CD LYS A 62 -0.957 -2.999 4.918 1.00 0.00 C ATOM 942 CE LYS A 62 -1.394 -2.170 6.116 1.00 0.00 C ATOM 943 NZ LYS A 62 -2.380 -2.896 6.963 1.00 0.00 N ATOM 0 H LYS A 62 -0.405 -1.385 0.970 1.00 0.00 H new ATOM 0 HA LYS A 62 1.966 -1.653 2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.514 -3.354 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.774 -3.841 3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.439 -1.499 4.283 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.085 -1.471 3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.817 -3.527 4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.242 -3.756 5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.522 -1.911 6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.832 -1.234 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.865 -2.220 7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.079 -3.369 6.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.886 -3.607 7.540 1.00 0.00 H new ATOM 957 N VAL A 63 1.574 -3.642 -0.069 1.00 0.00 N ATOM 958 CA VAL A 63 2.265 -4.585 -0.940 1.00 0.00 C ATOM 959 C VAL A 63 3.597 -4.017 -1.417 1.00 0.00 C ATOM 960 O VAL A 63 4.580 -4.745 -1.560 1.00 0.00 O ATOM 961 CB VAL A 63 1.407 -4.950 -2.165 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.455 -3.838 -3.202 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.869 -6.269 -2.765 1.00 0.00 C ATOM 0 H VAL A 63 0.650 -3.362 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 63 2.446 -5.485 -0.352 1.00 0.00 H new ATOM 0 HB VAL A 63 0.373 -5.067 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.843 -4.114 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.072 -2.916 -2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.485 -3.686 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.251 -6.511 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.910 -6.183 -3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.777 -7.060 -2.020 1.00 0.00 H new ATOM 973 N LYS A 64 3.624 -2.712 -1.662 1.00 0.00 N ATOM 974 CA LYS A 64 4.835 -2.043 -2.122 1.00 0.00 C ATOM 975 C LYS A 64 5.972 -2.229 -1.122 1.00 0.00 C ATOM 976 O LYS A 64 7.070 -2.650 -1.487 1.00 0.00 O ATOM 977 CB LYS A 64 4.569 -0.552 -2.337 1.00 0.00 C ATOM 978 CG LYS A 64 3.585 -0.265 -3.457 1.00 0.00 C ATOM 979 CD LYS A 64 4.257 -0.322 -4.819 1.00 0.00 C ATOM 980 CE LYS A 64 3.264 -0.066 -5.942 1.00 0.00 C ATOM 981 NZ LYS A 64 2.260 -1.160 -6.056 1.00 0.00 N ATOM 0 H LYS A 64 2.819 -2.095 -1.549 1.00 0.00 H new ATOM 0 HA LYS A 64 5.131 -2.493 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.188 -0.122 -1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.512 -0.051 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.771 -0.989 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.142 0.720 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.056 0.418 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.720 -1.299 -4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.752 0.880 -5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.801 0.034 -6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.722 -1.047 -6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.747 -2.079 -6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.609 -1.120 -5.246 1.00 0.00 H new ATOM 995 N ILE A 65 5.701 -1.913 0.140 1.00 0.00 N ATOM 996 CA ILE A 65 6.700 -2.048 1.192 1.00 0.00 C ATOM 997 C ILE A 65 7.260 -3.466 1.241 1.00 0.00 C ATOM 998 O ILE A 65 8.472 -3.664 1.333 1.00 0.00 O ATOM 999 CB ILE A 65 6.117 -1.691 2.572 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.537 -0.275 2.554 1.00 0.00 C ATOM 1001 CG2 ILE A 65 7.185 -1.818 3.648 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.486 -0.039 3.616 1.00 0.00 C ATOM 0 H ILE A 65 4.798 -1.562 0.458 1.00 0.00 H new ATOM 0 HA ILE A 65 7.503 -1.351 0.954 1.00 0.00 H new ATOM 0 HB ILE A 65 5.313 -2.390 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.346 0.442 2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.101 -0.082 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.757 -1.562 4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.555 -2.843 3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.009 -1.140 3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.119 0.985 3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.658 -0.732 3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.922 -0.200 4.602 1.00 0.00 H new ATOM 1014 N HIS A 66 6.369 -4.450 1.176 1.00 0.00 N ATOM 1015 CA HIS A 66 6.774 -5.851 1.210 1.00 0.00 C ATOM 1016 C HIS A 66 7.576 -6.215 -0.035 1.00 0.00 C ATOM 1017 O HIS A 66 8.491 -7.035 0.023 1.00 0.00 O ATOM 1018 CB HIS A 66 5.546 -6.756 1.324 1.00 0.00 C ATOM 1019 CG HIS A 66 5.857 -8.211 1.153 1.00 0.00 C ATOM 1020 ND1 HIS A 66 5.693 -8.881 -0.040 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.327 -9.125 2.035 1.00 0.00 C ATOM 1022 CE1 HIS A 66 6.047 -10.145 0.114 1.00 0.00 C ATOM 1023 NE2 HIS A 66 6.435 -10.319 1.365 1.00 0.00 N ATOM 0 H HIS A 66 5.362 -4.303 1.100 1.00 0.00 H new ATOM 0 HA HIS A 66 7.408 -6.000 2.084 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.082 -6.604 2.299 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.814 -6.458 0.573 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.571 -8.948 3.072 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.023 -10.906 -0.652 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.762 -11.197 1.768 1.00 0.00 H new ATOM 1032 N GLU A 67 7.224 -5.600 -1.160 1.00 0.00 N ATOM 1033 CA GLU A 67 7.911 -5.862 -2.420 1.00 0.00 C ATOM 1034 C GLU A 67 9.390 -5.498 -2.319 1.00 0.00 C ATOM 1035 O GLU A 67 10.255 -6.237 -2.785 1.00 0.00 O ATOM 1036 CB GLU A 67 7.257 -5.074 -3.556 1.00 0.00 C ATOM 1037 CG GLU A 67 6.144 -5.832 -4.260 1.00 0.00 C ATOM 1038 CD GLU A 67 6.669 -6.909 -5.190 1.00 0.00 C ATOM 1039 OE1 GLU A 67 7.785 -7.412 -4.945 1.00 0.00 O ATOM 1040 OE2 GLU A 67 5.962 -7.249 -6.162 1.00 0.00 O ATOM 0 H GLU A 67 6.468 -4.918 -1.225 1.00 0.00 H new ATOM 0 HA GLU A 67 7.831 -6.928 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.855 -4.143 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.020 -4.804 -4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.492 -6.287 -3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.536 -5.130 -4.830 1.00 0.00 H new ATOM 1047 N ALA A 68 9.670 -4.352 -1.707 1.00 0.00 N ATOM 1048 CA ALA A 68 11.043 -3.889 -1.543 1.00 0.00 C ATOM 1049 C ALA A 68 11.678 -4.486 -0.291 1.00 0.00 C ATOM 1050 O ALA A 68 12.725 -5.129 -0.359 1.00 0.00 O ATOM 1051 CB ALA A 68 11.084 -2.369 -1.485 1.00 0.00 C ATOM 0 H ALA A 68 8.965 -3.727 -1.317 1.00 0.00 H new ATOM 0 HA ALA A 68 11.619 -4.224 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.115 -2.037 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.678 -1.959 -2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.488 -2.021 -0.641 1.00 0.00 H new ATOM 1057 N THR A 69 11.037 -4.267 0.853 1.00 0.00 N ATOM 1058 CA THR A 69 11.540 -4.781 2.121 1.00 0.00 C ATOM 1059 C THR A 69 10.982 -6.170 2.411 1.00 0.00 C ATOM 1060 O THR A 69 9.950 -6.561 1.867 1.00 0.00 O ATOM 1061 CB THR A 69 11.183 -3.843 3.289 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.760 -3.736 3.414 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.783 -2.461 3.076 1.00 0.00 C ATOM 0 H THR A 69 10.169 -3.737 0.927 1.00 0.00 H new ATOM 0 HA THR A 69 12.625 -4.839 2.030 1.00 0.00 H new ATOM 0 HB THR A 69 11.597 -4.265 4.205 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.399 -3.254 2.641 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.517 -1.816 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.868 -2.542 3.010 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.394 -2.034 2.152 1.00 0.00 H new ATOM 1071 N GLY A 70 11.672 -6.912 3.272 1.00 0.00 N ATOM 1072 CA GLY A 70 11.229 -8.249 3.620 1.00 0.00 C ATOM 1073 C GLY A 70 10.147 -8.244 4.682 1.00 0.00 C ATOM 1074 O GLY A 70 10.002 -9.207 5.434 1.00 0.00 O ATOM 0 H GLY A 70 12.530 -6.611 3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.854 -8.748 2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.080 -8.829 3.976 1.00 0.00 H new ATOM 1078 N MET A 71 9.387 -7.156 4.744 1.00 0.00 N ATOM 1079 CA MET A 71 8.313 -7.030 5.723 1.00 0.00 C ATOM 1080 C MET A 71 6.964 -7.368 5.095 1.00 0.00 C ATOM 1081 O MET A 71 6.647 -6.949 3.982 1.00 0.00 O ATOM 1082 CB MET A 71 8.280 -5.612 6.296 1.00 0.00 C ATOM 1083 CG MET A 71 7.526 -5.506 7.612 1.00 0.00 C ATOM 1084 SD MET A 71 7.753 -3.908 8.416 1.00 0.00 S ATOM 1085 CE MET A 71 7.172 -4.276 10.069 1.00 0.00 C ATOM 0 H MET A 71 9.494 -6.349 4.129 1.00 0.00 H new ATOM 0 HA MET A 71 8.506 -7.736 6.531 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.303 -5.265 6.443 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.819 -4.945 5.568 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.464 -5.670 7.432 1.00 0.00 H new ATOM 0 HG3 MET A 71 7.861 -6.297 8.283 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.386 -3.572 10.344 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.776 -5.291 10.098 1.00 0.00 H new ATOM 0 HE3 MET A 71 7.999 -4.189 10.773 1.00 0.00 H new ATOM 1095 N PRO A 72 6.149 -8.146 5.825 1.00 0.00 N ATOM 1096 CA PRO A 72 4.821 -8.557 5.360 1.00 0.00 C ATOM 1097 C PRO A 72 3.836 -7.394 5.318 1.00 0.00 C ATOM 1098 O PRO A 72 3.997 -6.405 6.034 1.00 0.00 O ATOM 1099 CB PRO A 72 4.385 -9.591 6.400 1.00 0.00 C ATOM 1100 CG PRO A 72 5.144 -9.233 7.631 1.00 0.00 C ATOM 1101 CD PRO A 72 6.462 -8.682 7.160 1.00 0.00 C ATOM 0 HA PRO A 72 4.847 -8.943 4.341 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.309 -9.550 6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.617 -10.604 6.072 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.602 -8.495 8.223 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.291 -10.106 8.267 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.835 -7.905 7.828 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.228 -9.456 7.113 1.00 0.00 H new ATOM 1109 N ALA A 73 2.815 -7.519 4.477 1.00 0.00 N ATOM 1110 CA ALA A 73 1.802 -6.480 4.345 1.00 0.00 C ATOM 1111 C ALA A 73 0.612 -6.753 5.259 1.00 0.00 C ATOM 1112 O ALA A 73 -0.537 -6.527 4.883 1.00 0.00 O ATOM 1113 CB ALA A 73 1.344 -6.369 2.898 1.00 0.00 C ATOM 0 H ALA A 73 2.668 -8.330 3.877 1.00 0.00 H new ATOM 0 HA ALA A 73 2.248 -5.533 4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.587 -5.589 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.195 -6.118 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.921 -7.321 2.576 1.00 0.00 H new ATOM 1119 N GLY A 74 0.896 -7.242 6.462 1.00 0.00 N ATOM 1120 CA GLY A 74 -0.162 -7.540 7.411 1.00 0.00 C ATOM 1121 C GLY A 74 0.208 -7.157 8.830 1.00 0.00 C ATOM 1122 O GLY A 74 -0.572 -6.512 9.531 1.00 0.00 O ATOM 0 H GLY A 74 1.839 -7.437 6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.068 -7.009 7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.391 -8.605 7.373 1.00 0.00 H new ATOM 1126 N LYS A 75 1.401 -7.558 9.257 1.00 0.00 N ATOM 1127 CA LYS A 75 1.874 -7.255 10.603 1.00 0.00 C ATOM 1128 C LYS A 75 2.104 -5.757 10.774 1.00 0.00 C ATOM 1129 O LYS A 75 1.538 -5.131 11.670 1.00 0.00 O ATOM 1130 CB LYS A 75 3.168 -8.017 10.895 1.00 0.00 C ATOM 1131 CG LYS A 75 2.942 -9.378 11.530 1.00 0.00 C ATOM 1132 CD LYS A 75 2.909 -9.287 13.047 1.00 0.00 C ATOM 1133 CE LYS A 75 2.977 -10.664 13.689 1.00 0.00 C ATOM 1134 NZ LYS A 75 2.261 -10.702 14.995 1.00 0.00 N ATOM 0 H LYS A 75 2.058 -8.094 8.690 1.00 0.00 H new ATOM 0 HA LYS A 75 1.107 -7.570 11.310 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.721 -8.147 9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.792 -7.416 11.556 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.003 -9.797 11.169 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.735 -10.060 11.223 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.745 -8.681 13.395 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.996 -8.782 13.363 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.542 -11.401 13.014 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.020 -10.944 13.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.373 -11.642 15.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.659 -9.981 15.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.250 -10.509 14.843 1.00 0.00 H new ATOM 1148 N GLN A 76 2.937 -5.188 9.908 1.00 0.00 N ATOM 1149 CA GLN A 76 3.241 -3.763 9.963 1.00 0.00 C ATOM 1150 C GLN A 76 1.969 -2.930 9.843 1.00 0.00 C ATOM 1151 O GLN A 76 1.098 -3.222 9.023 1.00 0.00 O ATOM 1152 CB GLN A 76 4.219 -3.385 8.850 1.00 0.00 C ATOM 1153 CG GLN A 76 3.550 -3.147 7.507 1.00 0.00 C ATOM 1154 CD GLN A 76 4.511 -2.614 6.462 1.00 0.00 C ATOM 1155 OE1 GLN A 76 5.213 -1.629 6.693 1.00 0.00 O ATOM 1156 NE2 GLN A 76 4.546 -3.263 5.304 1.00 0.00 N ATOM 0 H GLN A 76 3.413 -5.692 9.160 1.00 0.00 H new ATOM 0 HA GLN A 76 3.702 -3.553 10.928 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.758 -2.484 9.142 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.958 -4.179 8.743 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.115 -4.081 7.152 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.729 -2.441 7.634 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.946 -4.075 5.156 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.172 -2.950 4.563 1.00 0.00 H new ATOM 1165 N LYS A 77 1.867 -1.892 10.666 1.00 0.00 N ATOM 1166 CA LYS A 77 0.702 -1.015 10.653 1.00 0.00 C ATOM 1167 C LYS A 77 1.091 0.400 10.237 1.00 0.00 C ATOM 1168 O LYS A 77 1.800 1.098 10.963 1.00 0.00 O ATOM 1169 CB LYS A 77 0.042 -0.989 12.033 1.00 0.00 C ATOM 1170 CG LYS A 77 -1.441 -0.660 11.992 1.00 0.00 C ATOM 1171 CD LYS A 77 -2.149 -1.117 13.256 1.00 0.00 C ATOM 1172 CE LYS A 77 -1.820 -0.214 14.436 1.00 0.00 C ATOM 1173 NZ LYS A 77 -2.746 -0.438 15.580 1.00 0.00 N ATOM 0 H LYS A 77 2.578 -1.637 11.351 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.008 -1.407 9.925 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.177 -1.960 12.509 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.552 -0.254 12.656 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.573 0.415 11.869 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.897 -1.139 11.125 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.226 -1.122 13.089 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.857 -2.141 13.488 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.795 -0.396 14.758 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.876 0.828 14.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.082 0.478 15.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.559 -1.005 15.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.245 -0.945 16.338 1.00 0.00 H new ATOM 1187 N LEU A 78 0.622 0.817 9.066 1.00 0.00 N ATOM 1188 CA LEU A 78 0.920 2.150 8.554 1.00 0.00 C ATOM 1189 C LEU A 78 -0.005 3.191 9.177 1.00 0.00 C ATOM 1190 O LEU A 78 -1.228 3.084 9.082 1.00 0.00 O ATOM 1191 CB LEU A 78 0.783 2.176 7.031 1.00 0.00 C ATOM 1192 CG LEU A 78 1.678 1.204 6.261 1.00 0.00 C ATOM 1193 CD1 LEU A 78 1.448 1.339 4.763 1.00 0.00 C ATOM 1194 CD2 LEU A 78 3.142 1.444 6.601 1.00 0.00 C ATOM 0 H LEU A 78 0.034 0.252 8.454 1.00 0.00 H new ATOM 0 HA LEU A 78 1.947 2.395 8.824 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.255 1.963 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.996 3.187 6.684 1.00 0.00 H new ATOM 0 HG LEU A 78 1.418 0.188 6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.093 0.640 4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.406 1.117 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.680 2.357 4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.764 0.744 6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.415 2.465 6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.296 1.296 7.670 1.00 0.00 H new ATOM 1206 N GLN A 79 0.587 4.199 9.810 1.00 0.00 N ATOM 1207 CA GLN A 79 -0.184 5.260 10.446 1.00 0.00 C ATOM 1208 C GLN A 79 -0.087 6.556 9.649 1.00 0.00 C ATOM 1209 O GLN A 79 0.985 6.921 9.166 1.00 0.00 O ATOM 1210 CB GLN A 79 0.306 5.489 11.877 1.00 0.00 C ATOM 1211 CG GLN A 79 -0.735 6.127 12.782 1.00 0.00 C ATOM 1212 CD GLN A 79 -0.157 6.577 14.109 1.00 0.00 C ATOM 1213 OE1 GLN A 79 1.019 6.352 14.395 1.00 0.00 O ATOM 1214 NE2 GLN A 79 -0.983 7.216 14.929 1.00 0.00 N ATOM 0 H GLN A 79 1.598 4.303 9.896 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.228 4.949 10.473 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.611 4.534 12.305 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.191 6.124 11.852 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.177 6.984 12.273 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.539 5.414 12.963 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.951 7.381 14.651 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.650 7.542 15.836 1.00 0.00 H new ATOM 1223 N TYR A 80 -1.213 7.248 9.515 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.255 8.503 8.773 1.00 0.00 C ATOM 1225 C TYR A 80 -2.083 9.547 9.516 1.00 0.00 C ATOM 1226 O TYR A 80 -3.204 9.275 9.945 1.00 0.00 O ATOM 1227 CB TYR A 80 -1.835 8.275 7.376 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.426 9.521 6.756 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.609 10.553 6.310 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -3.801 9.667 6.616 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -2.145 11.693 5.743 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.345 10.803 6.049 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.513 11.813 5.614 1.00 0.00 C ATOM 1234 OH TYR A 80 -4.051 12.947 5.049 1.00 0.00 O ATOM 0 H TYR A 80 -2.109 6.961 9.910 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.235 8.875 8.679 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.050 7.892 6.724 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.606 7.507 7.433 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.537 10.462 6.408 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.456 8.878 6.957 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.496 12.486 5.402 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.416 10.900 5.947 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.028 12.872 5.032 1.00 0.00 H new ATOM 1244 N GLU A 81 -1.522 10.743 9.664 1.00 0.00 N ATOM 1245 CA GLU A 81 -2.208 11.828 10.355 1.00 0.00 C ATOM 1246 C GLU A 81 -2.936 11.311 11.592 1.00 0.00 C ATOM 1247 O GLU A 81 -4.086 11.667 11.843 1.00 0.00 O ATOM 1248 CB GLU A 81 -3.201 12.514 9.414 1.00 0.00 C ATOM 1249 CG GLU A 81 -2.551 13.492 8.450 1.00 0.00 C ATOM 1250 CD GLU A 81 -2.255 14.834 9.091 1.00 0.00 C ATOM 1251 OE1 GLU A 81 -1.838 14.849 10.268 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -2.441 15.868 8.416 1.00 0.00 O ATOM 0 H GLU A 81 -0.595 10.985 9.315 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.459 12.553 10.673 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.732 11.753 8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.945 13.044 10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.624 13.062 8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.206 13.640 7.592 1.00 0.00 H new ATOM 1259 N GLY A 82 -2.256 10.468 12.363 1.00 0.00 N ATOM 1260 CA GLY A 82 -2.853 9.914 13.564 1.00 0.00 C ATOM 1261 C GLY A 82 -3.994 8.964 13.259 1.00 0.00 C ATOM 1262 O GLY A 82 -4.965 8.888 14.013 1.00 0.00 O ATOM 0 H GLY A 82 -1.302 10.159 12.177 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.089 9.388 14.136 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.219 10.726 14.192 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.879 8.240 12.152 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.910 7.291 11.749 1.00 0.00 C ATOM 1268 C ILE A 83 -4.318 5.907 11.503 1.00 0.00 C ATOM 1269 O ILE A 83 -3.128 5.771 11.220 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.640 7.759 10.476 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -6.185 9.176 10.666 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.765 6.796 10.127 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -6.579 9.850 9.371 1.00 0.00 C ATOM 0 H ILE A 83 -3.082 8.292 11.517 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.626 7.236 12.569 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.928 7.771 9.650 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -7.052 9.138 11.325 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.431 9.783 11.167 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.272 7.140 9.225 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.353 5.802 9.955 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.478 6.755 10.951 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.956 10.851 9.582 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.709 9.920 8.718 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.356 9.265 8.878 1.00 0.00 H new ATOM 1285 N PHE A 84 -5.157 4.883 11.611 1.00 0.00 N ATOM 1286 CA PHE A 84 -4.718 3.509 11.399 1.00 0.00 C ATOM 1287 C PHE A 84 -5.151 3.005 10.025 1.00 0.00 C ATOM 1288 O PHE A 84 -5.943 2.068 9.917 1.00 0.00 O ATOM 1289 CB PHE A 84 -5.282 2.596 12.490 1.00 0.00 C ATOM 1290 CG PHE A 84 -4.637 2.797 13.832 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -3.260 2.723 13.971 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -5.407 3.060 14.953 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -2.665 2.907 15.205 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -4.817 3.245 16.189 1.00 0.00 C ATOM 1295 CZ PHE A 84 -3.444 3.170 16.315 1.00 0.00 C ATOM 0 H PHE A 84 -6.145 4.979 11.844 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.629 3.491 11.447 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -6.354 2.771 12.581 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.153 1.557 12.186 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.646 2.520 13.106 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.481 3.121 14.860 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.591 2.845 15.301 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.429 3.448 17.055 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.980 3.317 17.279 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.626 3.634 8.979 1.00 0.00 N ATOM 1306 CA ILE A 85 -4.958 3.250 7.612 1.00 0.00 C ATOM 1307 C ILE A 85 -4.705 1.763 7.382 1.00 0.00 C ATOM 1308 O ILE A 85 -3.597 1.270 7.594 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.145 4.061 6.586 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -2.670 4.106 6.992 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -4.708 5.469 6.459 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -1.772 4.719 5.940 1.00 0.00 C ATOM 0 H ILE A 85 -3.969 4.411 9.052 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.018 3.462 7.473 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.220 3.571 5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.573 4.675 7.917 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.329 3.093 7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.123 6.030 5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.746 5.418 6.129 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.659 5.969 7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.742 4.718 6.296 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.839 4.137 5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.087 5.744 5.745 1.00 0.00 H new ATOM 1324 N LYS A 86 -5.740 1.054 6.946 1.00 0.00 N ATOM 1325 CA LYS A 86 -5.632 -0.376 6.684 1.00 0.00 C ATOM 1326 C LYS A 86 -6.118 -0.710 5.276 1.00 0.00 C ATOM 1327 O LYS A 86 -6.825 0.080 4.651 1.00 0.00 O ATOM 1328 CB LYS A 86 -6.441 -1.168 7.714 1.00 0.00 C ATOM 1329 CG LYS A 86 -5.707 -1.386 9.026 1.00 0.00 C ATOM 1330 CD LYS A 86 -6.672 -1.677 10.163 1.00 0.00 C ATOM 1331 CE LYS A 86 -7.117 -0.399 10.857 1.00 0.00 C ATOM 1332 NZ LYS A 86 -8.304 -0.626 11.728 1.00 0.00 N ATOM 0 H LYS A 86 -6.664 1.447 6.766 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.581 -0.655 6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.375 -0.642 7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.705 -2.137 7.290 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.008 -2.216 8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.117 -0.501 9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.544 -2.205 9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.195 -2.338 10.887 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.296 -0.007 11.457 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.355 0.357 10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.577 0.268 12.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.096 -0.977 11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.070 -1.329 12.458 1.00 0.00 H new ATOM 1346 N ASP A 87 -5.734 -1.883 4.786 1.00 0.00 N ATOM 1347 CA ASP A 87 -6.132 -2.321 3.453 1.00 0.00 C ATOM 1348 C ASP A 87 -7.637 -2.560 3.387 1.00 0.00 C ATOM 1349 O ASP A 87 -8.208 -2.691 2.304 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.383 -3.598 3.068 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.369 -4.621 4.187 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -4.673 -4.386 5.196 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -6.054 -5.657 4.053 1.00 0.00 O ATOM 0 H ASP A 87 -5.148 -2.548 5.291 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.876 -1.532 2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.848 -4.036 2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.358 -3.347 2.797 1.00 0.00 H new ATOM 1358 N SER A 88 -8.274 -2.617 4.552 1.00 0.00 N ATOM 1359 CA SER A 88 -9.712 -2.845 4.627 1.00 0.00 C ATOM 1360 C SER A 88 -10.483 -1.592 4.224 1.00 0.00 C ATOM 1361 O SER A 88 -11.593 -1.674 3.700 1.00 0.00 O ATOM 1362 CB SER A 88 -10.110 -3.269 6.042 1.00 0.00 C ATOM 1363 OG SER A 88 -9.680 -4.591 6.319 1.00 0.00 O ATOM 0 H SER A 88 -7.817 -2.508 5.457 1.00 0.00 H new ATOM 0 HA SER A 88 -9.964 -3.645 3.931 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.674 -2.582 6.767 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.192 -3.205 6.153 1.00 0.00 H new ATOM 0 HG SER A 88 -9.945 -4.837 7.230 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.885 -0.431 4.474 1.00 0.00 N ATOM 1370 CA ASN A 89 -10.514 0.841 4.138 1.00 0.00 C ATOM 1371 C ASN A 89 -9.852 1.470 2.917 1.00 0.00 C ATOM 1372 O ASN A 89 -8.643 1.347 2.721 1.00 0.00 O ATOM 1373 CB ASN A 89 -10.436 1.802 5.327 1.00 0.00 C ATOM 1374 CG ASN A 89 -9.114 1.703 6.063 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -8.080 2.152 5.568 1.00 0.00 O ATOM 1376 ND2 ASN A 89 -9.143 1.114 7.253 1.00 0.00 N ATOM 0 H ASN A 89 -8.966 -0.345 4.908 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.561 0.649 3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -10.577 2.824 4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -11.251 1.587 6.018 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -8.285 1.019 7.796 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.023 0.757 7.624 1.00 0.00 H new ATOM 1383 N SER A 90 -10.652 2.145 2.098 1.00 0.00 N ATOM 1384 CA SER A 90 -10.144 2.792 0.893 1.00 0.00 C ATOM 1385 C SER A 90 -9.435 4.098 1.236 1.00 0.00 C ATOM 1386 O SER A 90 -9.740 4.739 2.243 1.00 0.00 O ATOM 1387 CB SER A 90 -11.287 3.060 -0.087 1.00 0.00 C ATOM 1388 OG SER A 90 -11.915 1.853 -0.482 1.00 0.00 O ATOM 0 H SER A 90 -11.655 2.258 2.247 1.00 0.00 H new ATOM 0 HA SER A 90 -9.424 2.121 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.020 3.720 0.377 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.903 3.578 -0.966 1.00 0.00 H new ATOM 0 HG SER A 90 -12.643 2.052 -1.107 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.486 4.488 0.391 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.732 5.718 0.603 1.00 0.00 C ATOM 1396 C LEU A 91 -8.617 6.942 0.394 1.00 0.00 C ATOM 1397 O LEU A 91 -8.562 7.900 1.165 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.533 5.774 -0.346 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.377 4.826 -0.023 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -4.654 4.413 -1.296 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -4.410 5.478 0.954 1.00 0.00 C ATOM 0 H LEU A 91 -8.221 3.970 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.374 5.723 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.883 5.557 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.149 6.794 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.786 3.931 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.835 3.739 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.352 3.906 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.257 5.298 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.594 4.789 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.007 6.390 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.935 5.723 1.877 1.00 0.00 H new ATOM 1413 N ALA A 92 -9.435 6.903 -0.653 1.00 0.00 N ATOM 1414 CA ALA A 92 -10.336 8.007 -0.961 1.00 0.00 C ATOM 1415 C ALA A 92 -11.146 8.413 0.266 1.00 0.00 C ATOM 1416 O ALA A 92 -11.289 9.599 0.563 1.00 0.00 O ATOM 1417 CB ALA A 92 -11.263 7.629 -2.106 1.00 0.00 C ATOM 0 H ALA A 92 -9.492 6.118 -1.302 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.732 8.862 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.930 8.463 -2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.671 7.396 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -11.853 6.757 -1.824 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.674 7.421 0.974 1.00 0.00 N ATOM 1424 CA TYR A 93 -12.473 7.676 2.167 1.00 0.00 C ATOM 1425 C TYR A 93 -11.755 8.638 3.109 1.00 0.00 C ATOM 1426 O TYR A 93 -12.351 9.588 3.616 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.775 6.364 2.894 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.535 6.549 4.187 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -12.877 6.907 5.358 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -14.912 6.365 4.240 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -13.568 7.077 6.542 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -15.610 6.534 5.419 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.934 6.890 6.568 1.00 0.00 C ATOM 1434 OH TYR A 93 -15.626 7.057 7.745 1.00 0.00 O ATOM 0 H TYR A 93 -11.563 6.434 0.743 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.411 8.135 1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.351 5.717 2.233 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.837 5.851 3.104 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.807 7.055 5.342 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.445 6.085 3.343 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.041 7.355 7.443 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.680 6.388 5.442 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.579 6.889 7.591 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.471 8.384 3.337 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.671 9.226 4.218 1.00 0.00 C ATOM 1446 C TYR A 94 -9.511 10.627 3.637 1.00 0.00 C ATOM 1447 O TYR A 94 -9.277 11.590 4.365 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.296 8.597 4.448 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.332 7.364 5.323 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -9.010 7.369 6.536 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -7.689 6.195 4.936 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -9.045 6.245 7.339 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -7.720 5.066 5.732 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.399 5.096 6.932 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.432 3.974 7.729 1.00 0.00 O ATOM 0 H TYR A 94 -9.962 7.602 2.924 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.191 9.306 5.172 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.860 8.335 3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.639 9.337 4.905 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.518 8.266 6.857 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.156 6.168 3.997 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.575 6.266 8.280 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.215 4.165 5.416 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.267 3.962 8.242 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.640 10.731 2.318 1.00 0.00 N ATOM 1466 CA ASN A 95 -9.511 12.014 1.636 1.00 0.00 C ATOM 1467 C ASN A 95 -8.127 12.615 1.866 1.00 0.00 C ATOM 1468 O ASN A 95 -8.000 13.757 2.306 1.00 0.00 O ATOM 1469 CB ASN A 95 -10.588 12.986 2.124 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.928 12.744 1.458 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -12.293 13.431 0.503 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.670 11.764 1.960 1.00 0.00 N ATOM 0 H ASN A 95 -9.834 9.943 1.700 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.642 11.844 0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.699 12.889 3.204 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.267 14.009 1.927 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.582 11.555 1.553 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.328 11.220 2.752 1.00 0.00 H new ATOM 1479 N MET A 96 -7.093 11.836 1.564 1.00 0.00 N ATOM 1480 CA MET A 96 -5.718 12.292 1.735 1.00 0.00 C ATOM 1481 C MET A 96 -5.359 13.342 0.689 1.00 0.00 C ATOM 1482 O MET A 96 -6.182 13.700 -0.152 1.00 0.00 O ATOM 1483 CB MET A 96 -4.751 11.110 1.642 1.00 0.00 C ATOM 1484 CG MET A 96 -5.049 10.001 2.638 1.00 0.00 C ATOM 1485 SD MET A 96 -3.894 8.622 2.507 1.00 0.00 S ATOM 1486 CE MET A 96 -4.739 7.380 3.483 1.00 0.00 C ATOM 0 H MET A 96 -7.181 10.887 1.200 1.00 0.00 H new ATOM 0 HA MET A 96 -5.632 12.745 2.723 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.787 10.700 0.633 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.735 11.469 1.804 1.00 0.00 H new ATOM 0 HG2 MET A 96 -5.012 10.406 3.649 1.00 0.00 H new ATOM 0 HG3 MET A 96 -6.064 9.637 2.478 1.00 0.00 H new ATOM 0 HE1 MET A 96 -4.131 6.476 3.527 1.00 0.00 H new ATOM 0 HE2 MET A 96 -4.901 7.758 4.492 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.700 7.148 3.024 1.00 0.00 H new ATOM 1496 N ALA A 97 -4.125 13.832 0.748 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.657 14.839 -0.196 1.00 0.00 C ATOM 1498 C ALA A 97 -2.243 14.528 -0.674 1.00 0.00 C ATOM 1499 O ALA A 97 -1.480 13.850 0.013 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.709 16.221 0.438 1.00 0.00 C ATOM 0 H ALA A 97 -3.431 13.548 1.440 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.318 14.823 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.357 16.963 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.735 16.452 0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.072 16.240 1.323 1.00 0.00 H new ATOM 1506 N SER A 98 -1.900 15.028 -1.858 1.00 0.00 N ATOM 1507 CA SER A 98 -0.579 14.800 -2.430 1.00 0.00 C ATOM 1508 C SER A 98 0.516 15.128 -1.419 1.00 0.00 C ATOM 1509 O SER A 98 0.246 15.679 -0.353 1.00 0.00 O ATOM 1510 CB SER A 98 -0.393 15.645 -3.692 1.00 0.00 C ATOM 1511 OG SER A 98 -0.470 17.028 -3.395 1.00 0.00 O ATOM 0 H SER A 98 -2.519 15.593 -2.439 1.00 0.00 H new ATOM 0 HA SER A 98 -0.502 13.745 -2.693 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.573 15.420 -4.145 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.157 15.384 -4.424 1.00 0.00 H new ATOM 0 HG SER A 98 -0.346 17.547 -4.217 1.00 0.00 H new ATOM 1517 N GLY A 99 1.753 14.783 -1.763 1.00 0.00 N ATOM 1518 CA GLY A 99 2.871 15.048 -0.876 1.00 0.00 C ATOM 1519 C GLY A 99 2.608 14.582 0.543 1.00 0.00 C ATOM 1520 O GLY A 99 3.004 15.242 1.503 1.00 0.00 O ATOM 0 H GLY A 99 2.001 14.325 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.761 14.550 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.081 16.117 -0.871 1.00 0.00 H new ATOM 1524 N ALA A 100 1.935 13.444 0.675 1.00 0.00 N ATOM 1525 CA ALA A 100 1.620 12.891 1.986 1.00 0.00 C ATOM 1526 C ALA A 100 2.790 12.082 2.537 1.00 0.00 C ATOM 1527 O ALA A 100 3.786 11.863 1.847 1.00 0.00 O ATOM 1528 CB ALA A 100 0.370 12.028 1.908 1.00 0.00 C ATOM 0 H ALA A 100 1.597 12.887 -0.110 1.00 0.00 H new ATOM 0 HA ALA A 100 1.434 13.721 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.146 11.621 2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.469 12.634 1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.536 11.210 1.207 1.00 0.00 H new ATOM 1534 N VAL A 101 2.663 11.641 3.784 1.00 0.00 N ATOM 1535 CA VAL A 101 3.710 10.856 4.427 1.00 0.00 C ATOM 1536 C VAL A 101 3.116 9.737 5.275 1.00 0.00 C ATOM 1537 O VAL A 101 2.487 9.991 6.303 1.00 0.00 O ATOM 1538 CB VAL A 101 4.607 11.737 5.316 1.00 0.00 C ATOM 1539 CG1 VAL A 101 3.804 12.330 6.464 1.00 0.00 C ATOM 1540 CG2 VAL A 101 5.790 10.936 5.840 1.00 0.00 C ATOM 0 H VAL A 101 1.846 11.814 4.369 1.00 0.00 H new ATOM 0 HA VAL A 101 4.314 10.423 3.630 1.00 0.00 H new ATOM 0 HB VAL A 101 4.993 12.558 4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.455 12.949 7.081 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.994 12.940 6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.387 11.526 7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.413 11.575 6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.427 10.094 6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.379 10.565 5.001 1.00 0.00 H new ATOM 1550 N ILE A 102 3.319 8.499 4.838 1.00 0.00 N ATOM 1551 CA ILE A 102 2.804 7.341 5.558 1.00 0.00 C ATOM 1552 C ILE A 102 3.827 6.818 6.561 1.00 0.00 C ATOM 1553 O ILE A 102 4.790 6.147 6.188 1.00 0.00 O ATOM 1554 CB ILE A 102 2.419 6.203 4.593 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.326 6.670 3.630 1.00 0.00 C ATOM 1556 CG2 ILE A 102 1.958 4.981 5.373 1.00 0.00 C ATOM 1557 CD1 ILE A 102 0.015 6.989 4.312 1.00 0.00 C ATOM 0 H ILE A 102 3.836 8.272 3.989 1.00 0.00 H new ATOM 0 HA ILE A 102 1.912 7.671 6.091 1.00 0.00 H new ATOM 0 HB ILE A 102 3.298 5.928 4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.675 7.556 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.158 5.896 2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.689 4.186 4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.764 4.639 6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.090 5.242 5.979 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.713 7.313 3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.357 6.099 4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.168 7.785 5.041 1.00 0.00 H new ATOM 1569 N HIS A 103 3.610 7.127 7.835 1.00 0.00 N ATOM 1570 CA HIS A 103 4.511 6.685 8.893 1.00 0.00 C ATOM 1571 C HIS A 103 4.329 5.198 9.177 1.00 0.00 C ATOM 1572 O HIS A 103 3.203 4.707 9.277 1.00 0.00 O ATOM 1573 CB HIS A 103 4.270 7.493 10.168 1.00 0.00 C ATOM 1574 CG HIS A 103 4.841 8.877 10.118 1.00 0.00 C ATOM 1575 ND1 HIS A 103 6.181 9.131 9.912 1.00 0.00 N ATOM 1576 CD2 HIS A 103 4.246 10.086 10.247 1.00 0.00 C ATOM 1577 CE1 HIS A 103 6.385 10.436 9.918 1.00 0.00 C ATOM 1578 NE2 HIS A 103 5.227 11.038 10.119 1.00 0.00 N ATOM 0 H HIS A 103 2.818 7.682 8.160 1.00 0.00 H new ATOM 0 HA HIS A 103 5.534 6.849 8.556 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.197 7.558 10.350 1.00 0.00 H new ATOM 0 HB3 HIS A 103 4.705 6.960 11.014 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.195 10.268 10.419 1.00 0.00 H new ATOM 0 HE1 HIS A 103 7.337 10.927 9.782 1.00 0.00 H new ATOM 0 HE2 HIS A 103 5.084 12.047 10.171 1.00 0.00 H new ATOM 1587 N LEU A 104 5.442 4.484 9.305 1.00 0.00 N ATOM 1588 CA LEU A 104 5.405 3.051 9.577 1.00 0.00 C ATOM 1589 C LEU A 104 5.350 2.783 11.078 1.00 0.00 C ATOM 1590 O LEU A 104 6.161 3.306 11.842 1.00 0.00 O ATOM 1591 CB LEU A 104 6.630 2.365 8.969 1.00 0.00 C ATOM 1592 CG LEU A 104 6.412 0.947 8.441 1.00 0.00 C ATOM 1593 CD1 LEU A 104 7.465 0.596 7.402 1.00 0.00 C ATOM 1594 CD2 LEU A 104 6.433 -0.057 9.584 1.00 0.00 C ATOM 0 H LEU A 104 6.381 4.874 9.225 1.00 0.00 H new ATOM 0 HA LEU A 104 4.503 2.642 9.121 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.999 2.983 8.151 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.416 2.333 9.724 1.00 0.00 H new ATOM 0 HG LEU A 104 5.433 0.905 7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.293 -0.417 7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.402 1.296 6.569 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.455 0.656 7.853 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.276 -1.061 9.189 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.398 -0.012 10.090 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.640 0.182 10.293 1.00 0.00 H new ATOM 1606 N ALA A 105 4.390 1.963 11.492 1.00 0.00 N ATOM 1607 CA ALA A 105 4.232 1.621 12.900 1.00 0.00 C ATOM 1608 C ALA A 105 4.101 0.114 13.088 1.00 0.00 C ATOM 1609 O ALA A 105 3.243 -0.526 12.480 1.00 0.00 O ATOM 1610 CB ALA A 105 3.022 2.335 13.484 1.00 0.00 C ATOM 0 H ALA A 105 3.710 1.523 10.872 1.00 0.00 H new ATOM 0 HA ALA A 105 5.125 1.950 13.431 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.916 2.070 14.536 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.156 3.413 13.393 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.125 2.034 12.942 1.00 0.00 H new ATOM 1616 N LEU A 106 4.958 -0.449 13.934 1.00 0.00 N ATOM 1617 CA LEU A 106 4.939 -1.883 14.202 1.00 0.00 C ATOM 1618 C LEU A 106 3.760 -2.254 15.095 1.00 0.00 C ATOM 1619 O LEU A 106 3.630 -1.750 16.212 1.00 0.00 O ATOM 1620 CB LEU A 106 6.250 -2.316 14.861 1.00 0.00 C ATOM 1621 CG LEU A 106 6.736 -3.726 14.525 1.00 0.00 C ATOM 1622 CD1 LEU A 106 8.098 -3.984 15.149 1.00 0.00 C ATOM 1623 CD2 LEU A 106 5.727 -4.764 14.995 1.00 0.00 C ATOM 0 H LEU A 106 5.674 0.066 14.446 1.00 0.00 H new ATOM 0 HA LEU A 106 4.829 -2.404 13.251 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.028 -1.608 14.576 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.132 -2.242 15.942 1.00 0.00 H new ATOM 0 HG LEU A 106 6.834 -3.807 13.442 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.428 -4.992 14.899 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.817 -3.261 14.764 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.027 -3.884 16.232 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.089 -5.762 14.748 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.597 -4.682 16.074 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.771 -4.592 14.500 1.00 0.00 H new ATOM 1635 N LYS A 107 2.903 -3.139 14.599 1.00 0.00 N ATOM 1636 CA LYS A 107 1.736 -3.582 15.352 1.00 0.00 C ATOM 1637 C LYS A 107 2.142 -4.528 16.478 1.00 0.00 C ATOM 1638 O LYS A 107 3.091 -5.300 16.340 1.00 0.00 O ATOM 1639 CB LYS A 107 0.737 -4.276 14.424 1.00 0.00 C ATOM 1640 CG LYS A 107 -0.700 -4.198 14.910 1.00 0.00 C ATOM 1641 CD LYS A 107 -1.648 -4.920 13.967 1.00 0.00 C ATOM 1642 CE LYS A 107 -3.101 -4.611 14.293 1.00 0.00 C ATOM 1643 NZ LYS A 107 -4.036 -5.295 13.358 1.00 0.00 N ATOM 0 H LYS A 107 2.995 -3.565 13.677 1.00 0.00 H new ATOM 0 HA LYS A 107 1.264 -2.703 15.791 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.802 -3.826 13.433 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.020 -5.323 14.318 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.772 -4.636 15.906 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.999 -3.154 14.998 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.434 -4.626 12.939 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.480 -5.995 14.033 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.318 -4.921 15.315 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.263 -3.534 14.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.016 -5.059 13.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.846 -4.980 12.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.900 -6.324 13.422 1.00 0.00 H new ATOM 1657 N GLU A 108 1.417 -4.463 17.590 1.00 0.00 N ATOM 1658 CA GLU A 108 1.703 -5.316 18.738 1.00 0.00 C ATOM 1659 C GLU A 108 1.045 -6.683 18.578 1.00 0.00 C ATOM 1660 O GLU A 108 -0.106 -6.784 18.152 1.00 0.00 O ATOM 1661 CB GLU A 108 1.216 -4.652 20.028 1.00 0.00 C ATOM 1662 CG GLU A 108 1.878 -5.199 21.281 1.00 0.00 C ATOM 1663 CD GLU A 108 3.282 -4.662 21.481 1.00 0.00 C ATOM 1664 OE1 GLU A 108 3.541 -3.511 21.074 1.00 0.00 O ATOM 1665 OE2 GLU A 108 4.121 -5.395 22.046 1.00 0.00 O ATOM 0 H GLU A 108 0.628 -3.830 17.721 1.00 0.00 H new ATOM 0 HA GLU A 108 2.783 -5.456 18.794 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.402 -3.580 19.967 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.137 -4.784 20.110 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.269 -4.946 22.149 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.914 -6.287 21.223 1.00 0.00 H new ATOM 1672 N ARG A 109 1.784 -7.733 18.921 1.00 0.00 N ATOM 1673 CA ARG A 109 1.275 -9.095 18.813 1.00 0.00 C ATOM 1674 C ARG A 109 0.396 -9.442 20.011 1.00 0.00 C ATOM 1675 O ARG A 109 0.730 -9.124 21.152 1.00 0.00 O ATOM 1676 CB ARG A 109 2.433 -10.089 18.711 1.00 0.00 C ATOM 1677 CG ARG A 109 3.296 -10.149 19.960 1.00 0.00 C ATOM 1678 CD ARG A 109 4.595 -10.897 19.704 1.00 0.00 C ATOM 1679 NE ARG A 109 5.308 -11.195 20.943 1.00 0.00 N ATOM 1680 CZ ARG A 109 6.519 -11.739 20.982 1.00 0.00 C ATOM 1681 NH1 ARG A 109 7.149 -12.043 19.855 1.00 0.00 N ATOM 1682 NH2 ARG A 109 7.104 -11.980 22.149 1.00 0.00 N ATOM 0 H ARG A 109 2.738 -7.666 19.276 1.00 0.00 H new ATOM 0 HA ARG A 109 0.670 -9.160 17.909 1.00 0.00 H new ATOM 0 HB2 ARG A 109 2.031 -11.082 18.509 1.00 0.00 H new ATOM 0 HB3 ARG A 109 3.058 -9.819 17.860 1.00 0.00 H new ATOM 0 HG2 ARG A 109 3.518 -9.137 20.299 1.00 0.00 H new ATOM 0 HG3 ARG A 109 2.744 -10.640 20.762 1.00 0.00 H new ATOM 0 HD2 ARG A 109 4.380 -11.827 19.177 1.00 0.00 H new ATOM 0 HD3 ARG A 109 5.234 -10.301 19.052 1.00 0.00 H new ATOM 0 HE ARG A 109 4.851 -10.973 21.827 1.00 0.00 H new ATOM 0 HH11 ARG A 109 6.703 -11.859 18.956 1.00 0.00 H new ATOM 0 HH12 ARG A 109 8.079 -12.461 19.887 1.00 0.00 H new ATOM 0 HH21 ARG A 109 6.623 -11.747 23.018 1.00 0.00 H new ATOM 0 HH22 ARG A 109 8.034 -12.398 22.177 1.00 0.00 H new ATOM 1696 N SER A 110 -0.729 -10.097 19.743 1.00 0.00 N ATOM 1697 CA SER A 110 -1.658 -10.485 20.798 1.00 0.00 C ATOM 1698 C SER A 110 -2.066 -11.948 20.653 1.00 0.00 C ATOM 1699 O SER A 110 -1.918 -12.740 21.582 1.00 0.00 O ATOM 1700 CB SER A 110 -2.900 -9.591 20.767 1.00 0.00 C ATOM 1701 OG SER A 110 -3.803 -9.936 21.803 1.00 0.00 O ATOM 0 H SER A 110 -1.019 -10.370 18.804 1.00 0.00 H new ATOM 0 HA SER A 110 -1.153 -10.361 21.756 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.603 -8.547 20.872 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.396 -9.686 19.801 1.00 0.00 H new ATOM 0 HG SER A 110 -4.587 -9.349 21.762 1.00 0.00 H new ATOM 1707 N GLY A 111 -2.582 -12.298 19.478 1.00 0.00 N ATOM 1708 CA GLY A 111 -3.004 -13.664 19.231 1.00 0.00 C ATOM 1709 C GLY A 111 -3.305 -13.922 17.768 1.00 0.00 C ATOM 1710 O GLY A 111 -4.430 -14.253 17.393 1.00 0.00 O ATOM 0 H GLY A 111 -2.715 -11.660 18.694 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.224 -14.348 19.564 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.892 -13.880 19.825 1.00 0.00 H new ATOM 1714 N PRO A 112 -2.282 -13.769 16.914 1.00 0.00 N ATOM 1715 CA PRO A 112 -2.419 -13.982 15.470 1.00 0.00 C ATOM 1716 C PRO A 112 -2.621 -15.452 15.117 1.00 0.00 C ATOM 1717 O PRO A 112 -3.359 -15.781 14.189 1.00 0.00 O ATOM 1718 CB PRO A 112 -1.087 -13.476 14.910 1.00 0.00 C ATOM 1719 CG PRO A 112 -0.123 -13.620 16.037 1.00 0.00 C ATOM 1720 CD PRO A 112 -0.914 -13.377 17.292 1.00 0.00 C ATOM 0 HA PRO A 112 -3.291 -13.470 15.063 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -0.774 -14.060 14.044 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.163 -12.439 14.584 1.00 0.00 H new ATOM 0 HG2 PRO A 112 0.324 -14.614 16.044 1.00 0.00 H new ATOM 0 HG3 PRO A 112 0.694 -12.904 15.946 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -0.540 -13.974 18.124 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.866 -12.333 17.601 1.00 0.00 H new ATOM 1728 N SER A 113 -1.961 -16.331 15.864 1.00 0.00 N ATOM 1729 CA SER A 113 -2.067 -17.766 15.628 1.00 0.00 C ATOM 1730 C SER A 113 -3.523 -18.218 15.671 1.00 0.00 C ATOM 1731 O SER A 113 -4.409 -17.460 16.065 1.00 0.00 O ATOM 1732 CB SER A 113 -1.251 -18.537 16.668 1.00 0.00 C ATOM 1733 OG SER A 113 0.135 -18.286 16.517 1.00 0.00 O ATOM 0 H SER A 113 -1.347 -16.075 16.637 1.00 0.00 H new ATOM 0 HA SER A 113 -1.669 -17.976 14.635 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.569 -18.249 17.670 1.00 0.00 H new ATOM 0 HB3 SER A 113 -1.443 -19.605 16.567 1.00 0.00 H new ATOM 0 HG SER A 113 0.634 -18.789 17.194 1.00 0.00 H new ATOM 1739 N SER A 114 -3.763 -19.460 15.261 1.00 0.00 N ATOM 1740 CA SER A 114 -5.112 -20.013 15.248 1.00 0.00 C ATOM 1741 C SER A 114 -5.730 -19.971 16.643 1.00 0.00 C ATOM 1742 O SER A 114 -5.200 -20.556 17.586 1.00 0.00 O ATOM 1743 CB SER A 114 -5.091 -21.453 14.731 1.00 0.00 C ATOM 1744 OG SER A 114 -6.400 -21.908 14.435 1.00 0.00 O ATOM 0 H SER A 114 -3.041 -20.102 14.934 1.00 0.00 H new ATOM 0 HA SER A 114 -5.721 -19.403 14.581 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.471 -21.512 13.836 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.636 -22.104 15.478 1.00 0.00 H new ATOM 0 HG SER A 114 -6.359 -22.830 14.105 1.00 0.00 H new ATOM 1750 N GLY A 115 -6.856 -19.274 16.764 1.00 0.00 N ATOM 1751 CA GLY A 115 -7.528 -19.168 18.046 1.00 0.00 C ATOM 1752 C GLY A 115 -6.984 -18.035 18.894 1.00 0.00 C ATOM 1753 O GLY A 115 -7.675 -17.523 19.774 1.00 0.00 O ATOM 0 H GLY A 115 -7.314 -18.781 15.998 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -8.595 -19.015 17.882 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.420 -20.108 18.588 1.00 0.00 H new TER 1757 GLY A 115