USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 591 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 36 TYR OH : rot 30:sc= -0.289 USER MOD Set 1.2: A 49 HIS : no HD1:sc= -0.016 K(o=-0.31,f=-1.6!) USER MOD Set 2.1: A 1 GLY N :NH3+ -167:sc= -0.008 (180deg=-0.0547) USER MOD Set 2.2: A 12 HIS : no HD1:sc= -0.268 K(o=-0.28,f=-1) 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 11 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.0065) USER MOD Single : A 13 GLN : amide:sc= 1.8e-05 K(o=1.8e-05,f=-3.6!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.96! C(o=-4!,f=-4.5!) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -4.1! C(o=-4.1!,f=-5.4!) USER MOD Single : A 27 TYR OH : rot 150:sc= 0 USER MOD Single : A 28 THR OG1 : rot 101:sc= 1.19 USER MOD Single : A 29 SER OG : rot 180:sc=-0.000596 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.822! K(o=-0.82!,f=-1.4) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.96! K(o=-2!,f=-0.87) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.816 -12.175 8.874 1.00 0.00 N ATOM 2 CA GLY A 1 -7.158 -13.422 8.528 1.00 0.00 C ATOM 3 C GLY A 1 -5.987 -13.731 9.439 1.00 0.00 C ATOM 4 O GLY A 1 -5.919 -13.236 10.564 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.728 -12.114 8.378 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.978 -12.141 9.901 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.214 -11.375 8.592 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.880 -14.237 8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.809 -13.371 7.497 1.00 0.00 H new ATOM 8 N SER A 2 -5.063 -14.554 8.954 1.00 0.00 N ATOM 9 CA SER A 2 -3.891 -14.934 9.735 1.00 0.00 C ATOM 10 C SER A 2 -2.826 -13.842 9.682 1.00 0.00 C ATOM 11 O SER A 2 -2.242 -13.481 10.703 1.00 0.00 O ATOM 12 CB SER A 2 -3.313 -16.252 9.217 1.00 0.00 C ATOM 13 OG SER A 2 -2.986 -16.160 7.841 1.00 0.00 O ATOM 0 H SER A 2 -5.103 -14.971 8.024 1.00 0.00 H new ATOM 0 HA SER A 2 -4.202 -15.064 10.772 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.422 -16.512 9.789 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.035 -17.054 9.370 1.00 0.00 H new ATOM 0 HG SER A 2 -2.617 -17.015 7.535 1.00 0.00 H new ATOM 19 N SER A 3 -2.580 -13.322 8.484 1.00 0.00 N ATOM 20 CA SER A 3 -1.583 -12.274 8.296 1.00 0.00 C ATOM 21 C SER A 3 -1.877 -11.077 9.195 1.00 0.00 C ATOM 22 O SER A 3 -2.869 -11.061 9.922 1.00 0.00 O ATOM 23 CB SER A 3 -1.549 -11.831 6.832 1.00 0.00 C ATOM 24 OG SER A 3 -2.838 -11.448 6.385 1.00 0.00 O ATOM 0 H SER A 3 -3.057 -13.609 7.629 1.00 0.00 H new ATOM 0 HA SER A 3 -0.609 -12.680 8.568 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.858 -10.996 6.717 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.172 -12.644 6.211 1.00 0.00 H new ATOM 0 HG SER A 3 -2.789 -11.168 5.447 1.00 0.00 H new ATOM 30 N GLY A 4 -1.005 -10.075 9.140 1.00 0.00 N ATOM 31 CA GLY A 4 -1.187 -8.887 9.954 1.00 0.00 C ATOM 32 C GLY A 4 -1.125 -9.187 11.438 1.00 0.00 C ATOM 33 O GLY A 4 -2.058 -9.759 12.002 1.00 0.00 O ATOM 0 H GLY A 4 -0.176 -10.065 8.546 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.419 -8.156 9.702 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.149 -8.432 9.718 1.00 0.00 H new ATOM 37 N SER A 5 -0.024 -8.800 12.074 1.00 0.00 N ATOM 38 CA SER A 5 0.158 -9.035 13.501 1.00 0.00 C ATOM 39 C SER A 5 -0.798 -8.172 14.320 1.00 0.00 C ATOM 40 O SER A 5 -0.510 -7.010 14.608 1.00 0.00 O ATOM 41 CB SER A 5 1.603 -8.742 13.908 1.00 0.00 C ATOM 42 OG SER A 5 1.754 -8.779 15.316 1.00 0.00 O ATOM 0 H SER A 5 0.756 -8.322 11.623 1.00 0.00 H new ATOM 0 HA SER A 5 -0.063 -10.083 13.702 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.269 -9.473 13.448 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.898 -7.762 13.533 1.00 0.00 H new ATOM 0 HG SER A 5 2.687 -8.590 15.550 1.00 0.00 H new ATOM 48 N SER A 6 -1.936 -8.749 14.692 1.00 0.00 N ATOM 49 CA SER A 6 -2.937 -8.033 15.474 1.00 0.00 C ATOM 50 C SER A 6 -3.064 -8.631 16.872 1.00 0.00 C ATOM 51 O SER A 6 -2.559 -9.720 17.141 1.00 0.00 O ATOM 52 CB SER A 6 -4.292 -8.071 14.765 1.00 0.00 C ATOM 53 OG SER A 6 -4.347 -7.118 13.718 1.00 0.00 O ATOM 0 H SER A 6 -2.188 -9.711 14.464 1.00 0.00 H new ATOM 0 HA SER A 6 -2.614 -6.996 15.569 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.467 -9.069 14.362 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.087 -7.873 15.483 1.00 0.00 H new ATOM 0 HG SER A 6 -5.222 -7.164 13.280 1.00 0.00 H new ATOM 59 N GLY A 7 -3.743 -7.909 17.758 1.00 0.00 N ATOM 60 CA GLY A 7 -3.924 -8.383 19.117 1.00 0.00 C ATOM 61 C GLY A 7 -4.667 -9.703 19.177 1.00 0.00 C ATOM 62 O GLY A 7 -4.089 -10.760 18.922 1.00 0.00 O ATOM 0 H GLY A 7 -4.171 -7.005 17.559 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.949 -8.496 19.592 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.472 -7.635 19.689 1.00 0.00 H new ATOM 66 N ARG A 8 -5.951 -9.643 19.515 1.00 0.00 N ATOM 67 CA ARG A 8 -6.772 -10.844 19.610 1.00 0.00 C ATOM 68 C ARG A 8 -8.003 -10.733 18.715 1.00 0.00 C ATOM 69 O ARG A 8 -9.026 -11.369 18.968 1.00 0.00 O ATOM 70 CB ARG A 8 -7.202 -11.080 21.059 1.00 0.00 C ATOM 71 CG ARG A 8 -7.863 -9.873 21.703 1.00 0.00 C ATOM 72 CD ARG A 8 -8.286 -10.166 23.134 1.00 0.00 C ATOM 73 NE ARG A 8 -9.033 -11.417 23.239 1.00 0.00 N ATOM 74 CZ ARG A 8 -10.306 -11.545 22.883 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.971 -10.504 22.400 1.00 0.00 N ATOM 76 NH2 ARG A 8 -10.917 -12.716 23.008 1.00 0.00 N ATOM 0 H ARG A 8 -6.445 -8.776 19.727 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.174 -11.690 19.273 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.893 -11.922 21.091 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.328 -11.362 21.647 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.172 -9.030 21.692 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.734 -9.579 21.118 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.402 -10.217 23.770 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.899 -9.345 23.506 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.550 -12.237 23.606 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.505 -9.602 22.301 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.949 -10.605 22.127 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.409 -13.519 23.378 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.895 -12.813 22.734 1.00 0.00 H new ATOM 90 N ARG A 9 -7.896 -9.920 17.669 1.00 0.00 N ATOM 91 CA ARG A 9 -9.000 -9.724 16.737 1.00 0.00 C ATOM 92 C ARG A 9 -8.514 -9.801 15.293 1.00 0.00 C ATOM 93 O ARG A 9 -7.325 -9.640 15.020 1.00 0.00 O ATOM 94 CB ARG A 9 -9.674 -8.374 16.989 1.00 0.00 C ATOM 95 CG ARG A 9 -10.356 -8.276 18.343 1.00 0.00 C ATOM 96 CD ARG A 9 -11.800 -8.748 18.275 1.00 0.00 C ATOM 97 NE ARG A 9 -12.523 -8.476 19.514 1.00 0.00 N ATOM 98 CZ ARG A 9 -13.846 -8.543 19.623 1.00 0.00 C ATOM 99 NH1 ARG A 9 -14.585 -8.872 18.572 1.00 0.00 N ATOM 100 NH2 ARG A 9 -14.431 -8.281 20.784 1.00 0.00 N ATOM 0 H ARG A 9 -7.056 -9.386 17.446 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.726 -10.521 16.900 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.927 -7.584 16.910 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.411 -8.194 16.207 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.810 -8.876 19.071 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.325 -7.244 18.693 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.304 -8.253 17.445 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.822 -9.818 18.070 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.983 -8.221 20.341 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.138 -9.074 17.678 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.600 -8.923 18.658 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.866 -8.028 21.594 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.446 -8.333 20.867 1.00 0.00 H new ATOM 114 N GLU A 10 -9.441 -10.049 14.374 1.00 0.00 N ATOM 115 CA GLU A 10 -9.106 -10.148 12.958 1.00 0.00 C ATOM 116 C GLU A 10 -9.509 -8.879 12.213 1.00 0.00 C ATOM 117 O GLU A 10 -10.675 -8.490 12.215 1.00 0.00 O ATOM 118 CB GLU A 10 -9.796 -11.362 12.332 1.00 0.00 C ATOM 119 CG GLU A 10 -11.313 -11.278 12.354 1.00 0.00 C ATOM 120 CD GLU A 10 -11.975 -12.613 12.073 1.00 0.00 C ATOM 121 OE1 GLU A 10 -11.784 -13.550 12.876 1.00 0.00 O ATOM 122 OE2 GLU A 10 -12.684 -12.720 11.051 1.00 0.00 O ATOM 0 H GLU A 10 -10.430 -10.185 14.584 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.026 -10.270 12.874 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.461 -11.468 11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.483 -12.261 12.862 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.639 -10.913 13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.644 -10.550 11.614 1.00 0.00 H new ATOM 129 N ASN A 11 -8.533 -8.239 11.577 1.00 0.00 N ATOM 130 CA ASN A 11 -8.785 -7.013 10.828 1.00 0.00 C ATOM 131 C ASN A 11 -7.819 -6.884 9.654 1.00 0.00 C ATOM 132 O ASN A 11 -6.952 -7.735 9.454 1.00 0.00 O ATOM 133 CB ASN A 11 -8.655 -5.795 11.745 1.00 0.00 C ATOM 134 CG ASN A 11 -9.943 -5.486 12.484 1.00 0.00 C ATOM 135 OD1 ASN A 11 -9.969 -5.433 13.713 1.00 0.00 O ATOM 136 ND2 ASN A 11 -11.020 -5.283 11.734 1.00 0.00 N ATOM 0 H ASN A 11 -7.561 -8.549 11.565 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.801 -7.059 10.436 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.858 -5.971 12.468 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.362 -4.928 11.153 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.916 -5.073 12.174 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.951 -5.337 10.718 1.00 0.00 H new ATOM 143 N HIS A 12 -7.976 -5.815 8.880 1.00 0.00 N ATOM 144 CA HIS A 12 -7.118 -5.574 7.725 1.00 0.00 C ATOM 145 C HIS A 12 -6.690 -4.111 7.662 1.00 0.00 C ATOM 146 O HIS A 12 -7.399 -3.227 8.142 1.00 0.00 O ATOM 147 CB HIS A 12 -7.841 -5.962 6.436 1.00 0.00 C ATOM 148 CG HIS A 12 -8.346 -7.373 6.433 1.00 0.00 C ATOM 149 ND1 HIS A 12 -7.571 -8.450 6.808 1.00 0.00 N ATOM 150 CD2 HIS A 12 -9.556 -7.880 6.099 1.00 0.00 C ATOM 151 CE1 HIS A 12 -8.281 -9.559 6.703 1.00 0.00 C ATOM 152 NE2 HIS A 12 -9.490 -9.240 6.275 1.00 0.00 N ATOM 0 H HIS A 12 -8.689 -5.102 9.031 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.226 -6.191 7.831 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.681 -5.284 6.282 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.163 -5.826 5.594 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.413 -7.319 5.758 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.933 -10.556 6.928 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.251 -9.898 6.103 1.00 0.00 H new ATOM 161 N GLN A 13 -5.527 -3.865 7.068 1.00 0.00 N ATOM 162 CA GLN A 13 -5.005 -2.509 6.945 1.00 0.00 C ATOM 163 C GLN A 13 -5.328 -1.925 5.573 1.00 0.00 C ATOM 164 O GLN A 13 -5.270 -2.622 4.560 1.00 0.00 O ATOM 165 CB GLN A 13 -3.493 -2.499 7.173 1.00 0.00 C ATOM 166 CG GLN A 13 -2.823 -1.198 6.762 1.00 0.00 C ATOM 167 CD GLN A 13 -3.027 -0.091 7.778 1.00 0.00 C ATOM 168 OE1 GLN A 13 -3.978 0.686 7.684 1.00 0.00 O ATOM 169 NE2 GLN A 13 -2.132 -0.012 8.756 1.00 0.00 N ATOM 0 H GLN A 13 -4.929 -4.586 6.665 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.484 -1.892 7.705 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.292 -2.684 8.228 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.045 -3.321 6.615 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.755 -1.370 6.627 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.219 -0.879 5.798 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.360 -0.677 8.795 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.217 0.714 9.468 1.00 0.00 H new ATOM 178 N THR A 14 -5.667 -0.640 5.548 1.00 0.00 N ATOM 179 CA THR A 14 -6.001 0.038 4.302 1.00 0.00 C ATOM 180 C THR A 14 -4.809 0.824 3.767 1.00 0.00 C ATOM 181 O THR A 14 -4.017 1.369 4.537 1.00 0.00 O ATOM 182 CB THR A 14 -7.193 0.997 4.485 1.00 0.00 C ATOM 183 OG1 THR A 14 -7.602 1.517 3.215 1.00 0.00 O ATOM 184 CG2 THR A 14 -6.826 2.144 5.414 1.00 0.00 C ATOM 0 H THR A 14 -5.717 -0.048 6.377 1.00 0.00 H new ATOM 0 HA THR A 14 -6.274 -0.736 3.585 1.00 0.00 H new ATOM 0 HB THR A 14 -8.016 0.438 4.931 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.361 2.124 3.339 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.683 2.808 5.528 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.542 1.746 6.389 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.989 2.701 4.992 1.00 0.00 H new ATOM 192 N ILE A 15 -4.687 0.879 2.445 1.00 0.00 N ATOM 193 CA ILE A 15 -3.592 1.601 1.809 1.00 0.00 C ATOM 194 C ILE A 15 -3.493 3.028 2.337 1.00 0.00 C ATOM 195 O ILE A 15 -2.414 3.489 2.706 1.00 0.00 O ATOM 196 CB ILE A 15 -3.759 1.642 0.279 1.00 0.00 C ATOM 197 CG1 ILE A 15 -3.128 0.403 -0.359 1.00 0.00 C ATOM 198 CG2 ILE A 15 -3.138 2.910 -0.288 1.00 0.00 C ATOM 199 CD1 ILE A 15 -3.934 -0.860 -0.152 1.00 0.00 C ATOM 0 H ILE A 15 -5.333 0.432 1.794 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.676 1.063 2.052 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.824 1.646 0.045 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.008 0.576 -1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.130 0.259 0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.264 2.924 -1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.629 3.781 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.075 2.934 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.427 -1.698 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.033 -1.058 0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.924 -0.736 -0.591 1.00 0.00 H new ATOM 211 N GLN A 16 -4.627 3.720 2.372 1.00 0.00 N ATOM 212 CA GLN A 16 -4.668 5.094 2.856 1.00 0.00 C ATOM 213 C GLN A 16 -3.768 5.269 4.075 1.00 0.00 C ATOM 214 O GLN A 16 -2.734 5.933 4.004 1.00 0.00 O ATOM 215 CB GLN A 16 -6.103 5.491 3.207 1.00 0.00 C ATOM 216 CG GLN A 16 -7.017 5.602 1.997 1.00 0.00 C ATOM 217 CD GLN A 16 -7.021 6.993 1.394 1.00 0.00 C ATOM 218 OE1 GLN A 16 -6.385 7.910 1.915 1.00 0.00 O ATOM 219 NE2 GLN A 16 -7.741 7.158 0.290 1.00 0.00 N ATOM 0 H GLN A 16 -5.529 3.352 2.071 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.303 5.743 2.060 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.516 4.756 3.898 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.089 6.447 3.730 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.701 4.883 1.241 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.033 5.333 2.288 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.253 6.370 -0.108 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.782 8.072 -0.160 1.00 0.00 H new ATOM 228 N GLU A 17 -4.169 4.670 5.192 1.00 0.00 N ATOM 229 CA GLU A 17 -3.398 4.761 6.426 1.00 0.00 C ATOM 230 C GLU A 17 -2.046 4.068 6.276 1.00 0.00 C ATOM 231 O GLU A 17 -1.021 4.578 6.729 1.00 0.00 O ATOM 232 CB GLU A 17 -4.176 4.138 7.587 1.00 0.00 C ATOM 233 CG GLU A 17 -5.418 4.922 7.977 1.00 0.00 C ATOM 234 CD GLU A 17 -5.099 6.334 8.429 1.00 0.00 C ATOM 235 OE1 GLU A 17 -3.963 6.565 8.892 1.00 0.00 O ATOM 236 OE2 GLU A 17 -5.985 7.207 8.320 1.00 0.00 O ATOM 0 H GLU A 17 -5.023 4.117 5.268 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.225 5.816 6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.467 3.123 7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.519 4.060 8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.100 4.962 7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.938 4.397 8.778 1.00 0.00 H new ATOM 243 N PHE A 18 -2.053 2.903 5.636 1.00 0.00 N ATOM 244 CA PHE A 18 -0.829 2.139 5.427 1.00 0.00 C ATOM 245 C PHE A 18 0.251 3.006 4.787 1.00 0.00 C ATOM 246 O PHE A 18 1.444 2.730 4.918 1.00 0.00 O ATOM 247 CB PHE A 18 -1.108 0.919 4.546 1.00 0.00 C ATOM 248 CG PHE A 18 0.066 0.505 3.706 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.090 -0.253 4.249 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.145 0.874 2.373 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.172 -0.636 3.479 1.00 0.00 C ATOM 252 CE2 PHE A 18 1.224 0.494 1.597 1.00 0.00 C ATOM 253 CZ PHE A 18 2.239 -0.261 2.151 1.00 0.00 C ATOM 0 H PHE A 18 -2.892 2.468 5.253 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.470 1.802 6.400 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.404 0.083 5.180 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.953 1.138 3.893 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.042 -0.548 5.287 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.646 1.465 1.935 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.964 -1.227 3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.273 0.787 0.559 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.084 -0.558 1.547 1.00 0.00 H new ATOM 263 N LEU A 19 -0.176 4.056 4.093 1.00 0.00 N ATOM 264 CA LEU A 19 0.754 4.965 3.431 1.00 0.00 C ATOM 265 C LEU A 19 1.105 6.139 4.338 1.00 0.00 C ATOM 266 O LEU A 19 2.256 6.572 4.391 1.00 0.00 O ATOM 267 CB LEU A 19 0.150 5.478 2.123 1.00 0.00 C ATOM 268 CG LEU A 19 -0.036 4.439 1.016 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.726 5.061 -0.188 1.00 0.00 C ATOM 270 CD2 LEU A 19 1.305 3.841 0.615 1.00 0.00 C ATOM 0 H LEU A 19 -1.160 4.299 3.974 1.00 0.00 H new ATOM 0 HA LEU A 19 1.669 4.415 3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.821 5.922 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.786 6.277 1.741 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.669 3.638 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.850 4.307 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.704 5.441 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.119 5.882 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.153 3.104 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.962 4.631 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.761 3.359 1.479 1.00 0.00 H new ATOM 282 N GLU A 20 0.106 6.649 5.052 1.00 0.00 N ATOM 283 CA GLU A 20 0.312 7.774 5.957 1.00 0.00 C ATOM 284 C GLU A 20 1.476 7.502 6.907 1.00 0.00 C ATOM 285 O GLU A 20 2.152 8.427 7.357 1.00 0.00 O ATOM 286 CB GLU A 20 -0.961 8.050 6.760 1.00 0.00 C ATOM 287 CG GLU A 20 -2.155 8.426 5.898 1.00 0.00 C ATOM 288 CD GLU A 20 -3.133 9.333 6.619 1.00 0.00 C ATOM 289 OE1 GLU A 20 -2.677 10.231 7.357 1.00 0.00 O ATOM 290 OE2 GLU A 20 -4.355 9.143 6.445 1.00 0.00 O ATOM 0 H GLU A 20 -0.853 6.302 5.021 1.00 0.00 H new ATOM 0 HA GLU A 20 0.552 8.651 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.210 7.165 7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.766 8.856 7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.803 8.923 4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.671 7.519 5.583 1.00 0.00 H new ATOM 297 N ARG A 21 1.701 6.227 7.206 1.00 0.00 N ATOM 298 CA ARG A 21 2.781 5.833 8.103 1.00 0.00 C ATOM 299 C ARG A 21 4.139 6.007 7.428 1.00 0.00 C ATOM 300 O ARG A 21 5.103 6.448 8.055 1.00 0.00 O ATOM 301 CB ARG A 21 2.602 4.379 8.544 1.00 0.00 C ATOM 302 CG ARG A 21 3.281 3.376 7.626 1.00 0.00 C ATOM 303 CD ARG A 21 3.194 1.964 8.184 1.00 0.00 C ATOM 304 NE ARG A 21 4.044 1.786 9.358 1.00 0.00 N ATOM 305 CZ ARG A 21 4.232 0.616 9.959 1.00 0.00 C ATOM 306 NH1 ARG A 21 3.634 -0.474 9.498 1.00 0.00 N ATOM 307 NH2 ARG A 21 5.020 0.534 11.023 1.00 0.00 N ATOM 0 H ARG A 21 1.151 5.450 6.841 1.00 0.00 H new ATOM 0 HA ARG A 21 2.745 6.479 8.980 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.999 4.263 9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.537 4.151 8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.815 3.409 6.641 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.327 3.652 7.493 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.160 1.742 8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.487 1.251 7.413 1.00 0.00 H new ATOM 0 HE ARG A 21 4.519 2.605 9.737 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.028 -0.416 8.680 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.780 -1.371 9.962 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.482 1.370 11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.163 -0.365 11.483 1.00 0.00 H new ATOM 321 N ILE A 22 4.207 5.657 6.148 1.00 0.00 N ATOM 322 CA ILE A 22 5.446 5.774 5.389 1.00 0.00 C ATOM 323 C ILE A 22 5.488 7.082 4.605 1.00 0.00 C ATOM 324 O ILE A 22 6.424 7.333 3.847 1.00 0.00 O ATOM 325 CB ILE A 22 5.622 4.597 4.412 1.00 0.00 C ATOM 326 CG1 ILE A 22 4.318 4.333 3.657 1.00 0.00 C ATOM 327 CG2 ILE A 22 6.069 3.350 5.161 1.00 0.00 C ATOM 328 CD1 ILE A 22 4.476 3.381 2.493 1.00 0.00 C ATOM 0 H ILE A 22 3.419 5.290 5.615 1.00 0.00 H new ATOM 0 HA ILE A 22 6.262 5.759 6.112 1.00 0.00 H new ATOM 0 HB ILE A 22 6.393 4.858 3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.582 3.927 4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.922 5.280 3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.189 2.526 4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.020 3.545 5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.319 3.084 5.906 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.512 3.240 2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.188 3.795 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.842 2.421 2.856 1.00 0.00 H new ATOM 340 N HIS A 23 4.467 7.912 4.794 1.00 0.00 N ATOM 341 CA HIS A 23 4.388 9.196 4.106 1.00 0.00 C ATOM 342 C HIS A 23 4.300 8.998 2.596 1.00 0.00 C ATOM 343 O HIS A 23 4.922 9.732 1.826 1.00 0.00 O ATOM 344 CB HIS A 23 5.603 10.058 4.450 1.00 0.00 C ATOM 345 CG HIS A 23 5.473 10.783 5.754 1.00 0.00 C ATOM 346 ND1 HIS A 23 4.896 12.030 5.868 1.00 0.00 N ATOM 347 CD2 HIS A 23 5.848 10.429 7.005 1.00 0.00 C ATOM 348 CE1 HIS A 23 4.923 12.412 7.132 1.00 0.00 C ATOM 349 NE2 HIS A 23 5.496 11.458 7.843 1.00 0.00 N ATOM 0 H HIS A 23 3.683 7.719 5.417 1.00 0.00 H new ATOM 0 HA HIS A 23 3.484 9.706 4.441 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.490 9.425 4.482 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.759 10.785 3.653 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.334 9.508 7.291 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.541 13.346 7.518 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.652 11.482 8.851 1.00 0.00 H new ATOM 358 N LEU A 24 3.526 8.003 2.179 1.00 0.00 N ATOM 359 CA LEU A 24 3.357 7.708 0.760 1.00 0.00 C ATOM 360 C LEU A 24 1.901 7.873 0.338 1.00 0.00 C ATOM 361 O LEU A 24 1.505 7.438 -0.742 1.00 0.00 O ATOM 362 CB LEU A 24 3.830 6.286 0.455 1.00 0.00 C ATOM 363 CG LEU A 24 5.322 6.123 0.161 1.00 0.00 C ATOM 364 CD1 LEU A 24 5.753 7.065 -0.953 1.00 0.00 C ATOM 365 CD2 LEU A 24 6.143 6.369 1.418 1.00 0.00 C ATOM 0 H LEU A 24 3.005 7.386 2.803 1.00 0.00 H new ATOM 0 HA LEU A 24 3.962 8.416 0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.576 5.650 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.269 5.914 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 24 5.498 5.099 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.817 6.935 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.188 6.841 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.563 8.095 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.202 6.249 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.962 7.382 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.854 5.653 2.187 1.00 0.00 H new ATOM 377 N GLN A 25 1.110 8.506 1.199 1.00 0.00 N ATOM 378 CA GLN A 25 -0.303 8.730 0.914 1.00 0.00 C ATOM 379 C GLN A 25 -0.479 9.527 -0.374 1.00 0.00 C ATOM 380 O GLN A 25 -1.577 9.599 -0.925 1.00 0.00 O ATOM 381 CB GLN A 25 -0.969 9.467 2.078 1.00 0.00 C ATOM 382 CG GLN A 25 -0.397 10.853 2.328 1.00 0.00 C ATOM 383 CD GLN A 25 0.975 10.811 2.971 1.00 0.00 C ATOM 384 OE1 GLN A 25 1.996 10.867 2.285 1.00 0.00 O ATOM 385 NE2 GLN A 25 1.006 10.712 4.295 1.00 0.00 N ATOM 0 H GLN A 25 1.423 8.872 2.098 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.780 7.758 0.787 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.037 9.554 1.878 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.862 8.870 2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.335 11.392 1.383 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.078 11.412 2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.135 10.668 4.824 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.901 10.680 4.783 1.00 0.00 H new ATOM 394 N GLU A 26 0.610 10.124 -0.849 1.00 0.00 N ATOM 395 CA GLU A 26 0.574 10.916 -2.072 1.00 0.00 C ATOM 396 C GLU A 26 0.358 10.025 -3.292 1.00 0.00 C ATOM 397 O GLU A 26 0.119 10.513 -4.397 1.00 0.00 O ATOM 398 CB GLU A 26 1.873 11.710 -2.231 1.00 0.00 C ATOM 399 CG GLU A 26 3.088 10.840 -2.506 1.00 0.00 C ATOM 400 CD GLU A 26 4.391 11.610 -2.408 1.00 0.00 C ATOM 401 OE1 GLU A 26 4.448 12.748 -2.920 1.00 0.00 O ATOM 402 OE2 GLU A 26 5.353 11.074 -1.820 1.00 0.00 O ATOM 0 H GLU A 26 1.527 10.074 -0.405 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.262 11.611 -1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.755 12.423 -3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.049 12.289 -1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.105 10.012 -1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.001 10.405 -3.502 1.00 0.00 H new ATOM 409 N TYR A 27 0.445 8.716 -3.083 1.00 0.00 N ATOM 410 CA TYR A 27 0.262 7.756 -4.165 1.00 0.00 C ATOM 411 C TYR A 27 -1.073 7.030 -4.030 1.00 0.00 C ATOM 412 O TYR A 27 -1.464 6.255 -4.903 1.00 0.00 O ATOM 413 CB TYR A 27 1.408 6.743 -4.175 1.00 0.00 C ATOM 414 CG TYR A 27 2.754 7.353 -4.494 1.00 0.00 C ATOM 415 CD1 TYR A 27 3.177 7.502 -5.809 1.00 0.00 C ATOM 416 CD2 TYR A 27 3.602 7.782 -3.480 1.00 0.00 C ATOM 417 CE1 TYR A 27 4.406 8.059 -6.105 1.00 0.00 C ATOM 418 CE2 TYR A 27 4.832 8.342 -3.767 1.00 0.00 C ATOM 419 CZ TYR A 27 5.230 8.477 -5.081 1.00 0.00 C ATOM 420 OH TYR A 27 6.455 9.034 -5.372 1.00 0.00 O ATOM 0 H TYR A 27 0.641 8.296 -2.175 1.00 0.00 H new ATOM 0 HA TYR A 27 0.262 8.304 -5.107 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.461 6.257 -3.201 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.188 5.966 -4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.534 7.177 -6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.294 7.676 -2.450 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.720 8.167 -7.133 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.478 8.672 -2.967 1.00 0.00 H new ATOM 0 HH TYR A 27 6.695 9.680 -4.675 1.00 0.00 H new ATOM 430 N THR A 28 -1.769 7.287 -2.927 1.00 0.00 N ATOM 431 CA THR A 28 -3.060 6.659 -2.674 1.00 0.00 C ATOM 432 C THR A 28 -3.887 6.569 -3.952 1.00 0.00 C ATOM 433 O THR A 28 -4.029 5.495 -4.537 1.00 0.00 O ATOM 434 CB THR A 28 -3.862 7.431 -1.610 1.00 0.00 C ATOM 435 OG1 THR A 28 -3.124 7.484 -0.384 1.00 0.00 O ATOM 436 CG2 THR A 28 -5.212 6.773 -1.367 1.00 0.00 C ATOM 0 H THR A 28 -1.460 7.926 -2.194 1.00 0.00 H new ATOM 0 HA THR A 28 -2.856 5.654 -2.305 1.00 0.00 H new ATOM 0 HB THR A 28 -4.030 8.444 -1.977 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.695 8.361 -0.298 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.760 7.336 -0.612 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.783 6.760 -2.295 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.061 5.751 -1.019 1.00 0.00 H new ATOM 444 N SER A 29 -4.431 7.704 -4.380 1.00 0.00 N ATOM 445 CA SER A 29 -5.247 7.753 -5.587 1.00 0.00 C ATOM 446 C SER A 29 -4.661 6.858 -6.675 1.00 0.00 C ATOM 447 O SER A 29 -5.368 6.051 -7.280 1.00 0.00 O ATOM 448 CB SER A 29 -5.355 9.191 -6.098 1.00 0.00 C ATOM 449 OG SER A 29 -4.073 9.777 -6.247 1.00 0.00 O ATOM 0 H SER A 29 -4.321 8.602 -3.909 1.00 0.00 H new ATOM 0 HA SER A 29 -6.243 7.388 -5.337 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.877 9.202 -7.055 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.951 9.783 -5.403 1.00 0.00 H new ATOM 0 HG SER A 29 -4.169 10.695 -6.576 1.00 0.00 H new ATOM 455 N THR A 30 -3.363 7.007 -6.920 1.00 0.00 N ATOM 456 CA THR A 30 -2.681 6.214 -7.936 1.00 0.00 C ATOM 457 C THR A 30 -2.853 4.722 -7.676 1.00 0.00 C ATOM 458 O THR A 30 -2.988 3.930 -8.609 1.00 0.00 O ATOM 459 CB THR A 30 -1.177 6.545 -7.990 1.00 0.00 C ATOM 460 OG1 THR A 30 -0.984 7.867 -8.504 1.00 0.00 O ATOM 461 CG2 THR A 30 -0.434 5.543 -8.861 1.00 0.00 C ATOM 0 H THR A 30 -2.763 7.669 -6.429 1.00 0.00 H new ATOM 0 HA THR A 30 -3.136 6.467 -8.894 1.00 0.00 H new ATOM 0 HB THR A 30 -0.778 6.488 -6.977 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.026 8.070 -8.533 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.626 5.797 -8.884 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.558 4.541 -8.450 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.836 5.572 -9.874 1.00 0.00 H new ATOM 469 N LEU A 31 -2.847 4.344 -6.402 1.00 0.00 N ATOM 470 CA LEU A 31 -3.004 2.945 -6.019 1.00 0.00 C ATOM 471 C LEU A 31 -4.463 2.514 -6.117 1.00 0.00 C ATOM 472 O LEU A 31 -4.781 1.498 -6.737 1.00 0.00 O ATOM 473 CB LEU A 31 -2.490 2.726 -4.595 1.00 0.00 C ATOM 474 CG LEU A 31 -0.974 2.810 -4.408 1.00 0.00 C ATOM 475 CD1 LEU A 31 -0.636 3.316 -3.014 1.00 0.00 C ATOM 476 CD2 LEU A 31 -0.330 1.454 -4.656 1.00 0.00 C ATOM 0 H LEU A 31 -2.735 4.986 -5.617 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.418 2.337 -6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.958 3.464 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.824 1.745 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.576 3.517 -5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.447 3.369 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.065 4.308 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.047 2.634 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.748 1.533 -4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.733 0.726 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.543 1.131 -5.675 1.00 0.00 H new ATOM 488 N LEU A 32 -5.348 3.292 -5.503 1.00 0.00 N ATOM 489 CA LEU A 32 -6.775 2.992 -5.523 1.00 0.00 C ATOM 490 C LEU A 32 -7.295 2.914 -6.955 1.00 0.00 C ATOM 491 O LEU A 32 -7.790 1.873 -7.391 1.00 0.00 O ATOM 492 CB LEU A 32 -7.551 4.056 -4.744 1.00 0.00 C ATOM 493 CG LEU A 32 -7.084 4.312 -3.311 1.00 0.00 C ATOM 494 CD1 LEU A 32 -7.795 5.522 -2.725 1.00 0.00 C ATOM 495 CD2 LEU A 32 -7.320 3.082 -2.445 1.00 0.00 C ATOM 0 H LEU A 32 -5.102 4.136 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.924 2.022 -5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.496 4.994 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.601 3.764 -4.716 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.014 4.519 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.449 5.688 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.575 6.401 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.870 5.345 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.982 3.282 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.384 2.844 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.764 2.238 -2.853 1.00 0.00 H new ATOM 507 N LEU A 33 -7.178 4.019 -7.682 1.00 0.00 N ATOM 508 CA LEU A 33 -7.634 4.075 -9.067 1.00 0.00 C ATOM 509 C LEU A 33 -7.168 2.849 -9.844 1.00 0.00 C ATOM 510 O LEU A 33 -7.876 2.349 -10.717 1.00 0.00 O ATOM 511 CB LEU A 33 -7.120 5.348 -9.743 1.00 0.00 C ATOM 512 CG LEU A 33 -8.033 6.571 -9.655 1.00 0.00 C ATOM 513 CD1 LEU A 33 -8.280 6.950 -8.203 1.00 0.00 C ATOM 514 CD2 LEU A 33 -7.432 7.741 -10.419 1.00 0.00 C ATOM 0 H LEU A 33 -6.772 4.888 -7.336 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.724 4.087 -9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.157 5.606 -9.302 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.940 5.129 -10.796 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.991 6.319 -10.111 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.932 7.823 -8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.755 6.117 -7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.330 7.183 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.095 8.603 -10.346 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.461 7.993 -9.993 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.309 7.467 -11.467 1.00 0.00 H new ATOM 526 N ASN A 34 -5.973 2.367 -9.519 1.00 0.00 N ATOM 527 CA ASN A 34 -5.413 1.197 -10.186 1.00 0.00 C ATOM 528 C ASN A 34 -6.106 -0.079 -9.718 1.00 0.00 C ATOM 529 O ASN A 34 -6.194 -1.057 -10.460 1.00 0.00 O ATOM 530 CB ASN A 34 -3.910 1.102 -9.917 1.00 0.00 C ATOM 531 CG ASN A 34 -3.088 1.837 -10.958 1.00 0.00 C ATOM 532 OD1 ASN A 34 -2.406 1.220 -11.776 1.00 0.00 O ATOM 533 ND2 ASN A 34 -3.151 3.164 -10.933 1.00 0.00 N ATOM 0 H ASN A 34 -5.374 2.768 -8.798 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.578 1.307 -11.258 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.694 1.513 -8.931 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.613 0.053 -9.898 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.621 3.713 -11.610 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.730 3.634 -10.237 1.00 0.00 H new ATOM 540 N GLY A 35 -6.597 -0.061 -8.483 1.00 0.00 N ATOM 541 CA GLY A 35 -7.277 -1.222 -7.938 1.00 0.00 C ATOM 542 C GLY A 35 -6.894 -1.494 -6.497 1.00 0.00 C ATOM 543 O GLY A 35 -7.710 -1.975 -5.710 1.00 0.00 O ATOM 0 H GLY A 35 -6.536 0.736 -7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.355 -1.072 -8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.040 -2.096 -8.545 1.00 0.00 H new ATOM 547 N TYR A 36 -5.649 -1.189 -6.149 1.00 0.00 N ATOM 548 CA TYR A 36 -5.158 -1.407 -4.794 1.00 0.00 C ATOM 549 C TYR A 36 -6.000 -0.640 -3.779 1.00 0.00 C ATOM 550 O TYR A 36 -5.840 0.568 -3.611 1.00 0.00 O ATOM 551 CB TYR A 36 -3.693 -0.980 -4.684 1.00 0.00 C ATOM 552 CG TYR A 36 -2.758 -1.798 -5.546 1.00 0.00 C ATOM 553 CD1 TYR A 36 -2.171 -2.960 -5.059 1.00 0.00 C ATOM 554 CD2 TYR A 36 -2.461 -1.410 -6.846 1.00 0.00 C ATOM 555 CE1 TYR A 36 -1.316 -3.710 -5.842 1.00 0.00 C ATOM 556 CE2 TYR A 36 -1.608 -2.154 -7.637 1.00 0.00 C ATOM 557 CZ TYR A 36 -1.037 -3.303 -7.131 1.00 0.00 C ATOM 558 OH TYR A 36 -0.186 -4.048 -7.914 1.00 0.00 O ATOM 0 H TYR A 36 -4.961 -0.790 -6.787 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.237 -2.472 -4.574 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.607 0.070 -4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.377 -1.059 -3.644 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.387 -3.282 -4.051 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.905 -0.510 -7.245 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.868 -4.610 -5.448 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.389 -1.838 -8.646 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.244 -4.991 -7.655 1.00 0.00 H new ATOM 568 N GLU A 37 -6.898 -1.353 -3.105 1.00 0.00 N ATOM 569 CA GLU A 37 -7.766 -0.740 -2.107 1.00 0.00 C ATOM 570 C GLU A 37 -7.242 -0.999 -0.697 1.00 0.00 C ATOM 571 O GLU A 37 -7.190 -0.093 0.135 1.00 0.00 O ATOM 572 CB GLU A 37 -9.192 -1.279 -2.239 1.00 0.00 C ATOM 573 CG GLU A 37 -9.988 -0.627 -3.358 1.00 0.00 C ATOM 574 CD GLU A 37 -11.484 -0.690 -3.123 1.00 0.00 C ATOM 575 OE1 GLU A 37 -11.932 -0.269 -2.035 1.00 0.00 O ATOM 576 OE2 GLU A 37 -12.208 -1.160 -4.025 1.00 0.00 O ATOM 0 H GLU A 37 -7.043 -2.355 -3.232 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.774 0.336 -2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.150 -2.354 -2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.717 -1.129 -1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.683 0.415 -3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.751 -1.119 -4.301 1.00 0.00 H new ATOM 583 N THR A 38 -6.854 -2.243 -0.436 1.00 0.00 N ATOM 584 CA THR A 38 -6.335 -2.623 0.872 1.00 0.00 C ATOM 585 C THR A 38 -5.074 -3.469 0.739 1.00 0.00 C ATOM 586 O THR A 38 -4.779 -3.998 -0.333 1.00 0.00 O ATOM 587 CB THR A 38 -7.382 -3.408 1.685 1.00 0.00 C ATOM 588 OG1 THR A 38 -7.708 -4.630 1.014 1.00 0.00 O ATOM 589 CG2 THR A 38 -8.643 -2.581 1.885 1.00 0.00 C ATOM 0 H THR A 38 -6.889 -3.005 -1.113 1.00 0.00 H new ATOM 0 HA THR A 38 -6.095 -1.699 1.397 1.00 0.00 H new ATOM 0 HB THR A 38 -6.956 -3.634 2.663 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.373 -5.124 1.538 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.368 -3.156 2.462 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.396 -1.665 2.422 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.070 -2.328 0.915 1.00 0.00 H new ATOM 597 N LEU A 39 -4.332 -3.592 1.834 1.00 0.00 N ATOM 598 CA LEU A 39 -3.101 -4.375 1.840 1.00 0.00 C ATOM 599 C LEU A 39 -3.274 -5.669 1.052 1.00 0.00 C ATOM 600 O LEU A 39 -2.370 -6.097 0.335 1.00 0.00 O ATOM 601 CB LEU A 39 -2.681 -4.691 3.277 1.00 0.00 C ATOM 602 CG LEU A 39 -1.807 -3.644 3.967 1.00 0.00 C ATOM 603 CD1 LEU A 39 -0.346 -3.837 3.591 1.00 0.00 C ATOM 604 CD2 LEU A 39 -2.271 -2.240 3.607 1.00 0.00 C ATOM 0 H LEU A 39 -4.561 -3.160 2.729 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.321 -3.783 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.582 -4.834 3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.145 -5.640 3.277 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.904 -3.772 5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.261 -3.083 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.019 -4.830 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.232 -3.737 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.637 -1.508 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.205 -2.100 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.304 -2.105 3.927 1.00 0.00 H new ATOM 616 N ASP A 40 -4.443 -6.286 1.188 1.00 0.00 N ATOM 617 CA ASP A 40 -4.737 -7.530 0.486 1.00 0.00 C ATOM 618 C ASP A 40 -4.216 -7.482 -0.947 1.00 0.00 C ATOM 619 O ASP A 40 -3.657 -8.458 -1.448 1.00 0.00 O ATOM 620 CB ASP A 40 -6.243 -7.796 0.486 1.00 0.00 C ATOM 621 CG ASP A 40 -6.571 -9.271 0.364 1.00 0.00 C ATOM 622 OD1 ASP A 40 -6.295 -10.022 1.324 1.00 0.00 O ATOM 623 OD2 ASP A 40 -7.103 -9.676 -0.690 1.00 0.00 O ATOM 0 H ASP A 40 -5.202 -5.945 1.778 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.232 -8.342 1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.678 -7.405 1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.704 -7.255 -0.340 1.00 0.00 H new ATOM 628 N ASP A 41 -4.404 -6.341 -1.601 1.00 0.00 N ATOM 629 CA ASP A 41 -3.953 -6.165 -2.977 1.00 0.00 C ATOM 630 C ASP A 41 -2.435 -6.027 -3.037 1.00 0.00 C ATOM 631 O ASP A 41 -1.782 -6.611 -3.904 1.00 0.00 O ATOM 632 CB ASP A 41 -4.615 -4.935 -3.600 1.00 0.00 C ATOM 633 CG ASP A 41 -5.922 -5.268 -4.290 1.00 0.00 C ATOM 634 OD1 ASP A 41 -6.071 -6.416 -4.759 1.00 0.00 O ATOM 635 OD2 ASP A 41 -6.798 -4.381 -4.361 1.00 0.00 O ATOM 0 H ASP A 41 -4.866 -5.524 -1.201 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.242 -7.049 -3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.796 -4.192 -2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.932 -4.484 -4.320 1.00 0.00 H new ATOM 640 N LEU A 42 -1.879 -5.251 -2.113 1.00 0.00 N ATOM 641 CA LEU A 42 -0.437 -5.035 -2.062 1.00 0.00 C ATOM 642 C LEU A 42 0.306 -6.357 -1.898 1.00 0.00 C ATOM 643 O LEU A 42 1.502 -6.448 -2.176 1.00 0.00 O ATOM 644 CB LEU A 42 -0.084 -4.092 -0.911 1.00 0.00 C ATOM 645 CG LEU A 42 -0.545 -2.643 -1.064 1.00 0.00 C ATOM 646 CD1 LEU A 42 -0.465 -1.913 0.267 1.00 0.00 C ATOM 647 CD2 LEU A 42 0.287 -1.927 -2.118 1.00 0.00 C ATOM 0 H LEU A 42 -2.405 -4.761 -1.389 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.128 -4.581 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.514 -4.494 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.999 -4.096 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.585 -2.646 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.797 -0.883 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.105 -2.412 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.565 -1.920 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.055 -0.897 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.336 -1.935 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.177 -2.436 -3.076 1.00 0.00 H new ATOM 659 N LYS A 43 -0.411 -7.381 -1.447 1.00 0.00 N ATOM 660 CA LYS A 43 0.178 -8.700 -1.250 1.00 0.00 C ATOM 661 C LYS A 43 0.756 -9.239 -2.554 1.00 0.00 C ATOM 662 O LYS A 43 1.591 -10.143 -2.547 1.00 0.00 O ATOM 663 CB LYS A 43 -0.870 -9.673 -0.704 1.00 0.00 C ATOM 664 CG LYS A 43 -1.714 -10.327 -1.785 1.00 0.00 C ATOM 665 CD LYS A 43 -2.918 -11.042 -1.195 1.00 0.00 C ATOM 666 CE LYS A 43 -2.518 -12.348 -0.525 1.00 0.00 C ATOM 667 NZ LYS A 43 -3.605 -13.363 -0.594 1.00 0.00 N ATOM 0 H LYS A 43 -1.402 -7.322 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 43 0.988 -8.604 -0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.367 -10.450 -0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.526 -9.139 -0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.050 -9.570 -2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.105 -11.038 -2.343 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.407 -10.394 -0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.645 -11.243 -1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.622 -12.742 -1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.264 -12.158 0.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.293 -14.238 -0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.452 -12.997 -0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.830 -13.564 -1.589 1.00 0.00 H new ATOM 681 N ASP A 44 0.308 -8.677 -3.671 1.00 0.00 N ATOM 682 CA ASP A 44 0.783 -9.099 -4.984 1.00 0.00 C ATOM 683 C ASP A 44 1.462 -7.944 -5.713 1.00 0.00 C ATOM 684 O ASP A 44 1.455 -7.885 -6.943 1.00 0.00 O ATOM 685 CB ASP A 44 -0.378 -9.636 -5.822 1.00 0.00 C ATOM 686 CG ASP A 44 -1.330 -8.541 -6.261 1.00 0.00 C ATOM 687 OD1 ASP A 44 -1.032 -7.865 -7.267 1.00 0.00 O ATOM 688 OD2 ASP A 44 -2.372 -8.359 -5.597 1.00 0.00 O ATOM 0 H ASP A 44 -0.384 -7.928 -3.694 1.00 0.00 H new ATOM 0 HA ASP A 44 1.514 -9.894 -4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.017 -10.144 -6.702 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.926 -10.380 -5.244 1.00 0.00 H new ATOM 693 N ILE A 45 2.047 -7.029 -4.947 1.00 0.00 N ATOM 694 CA ILE A 45 2.730 -5.877 -5.521 1.00 0.00 C ATOM 695 C ILE A 45 4.243 -6.057 -5.478 1.00 0.00 C ATOM 696 O ILE A 45 4.804 -6.447 -4.454 1.00 0.00 O ATOM 697 CB ILE A 45 2.357 -4.577 -4.784 1.00 0.00 C ATOM 698 CG1 ILE A 45 2.797 -3.359 -5.599 1.00 0.00 C ATOM 699 CG2 ILE A 45 2.990 -4.553 -3.401 1.00 0.00 C ATOM 700 CD1 ILE A 45 1.914 -2.147 -5.399 1.00 0.00 C ATOM 0 H ILE A 45 2.061 -7.063 -3.928 1.00 0.00 H new ATOM 0 HA ILE A 45 2.405 -5.802 -6.559 1.00 0.00 H new ATOM 0 HB ILE A 45 1.274 -4.540 -4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.821 -3.101 -5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.804 -3.623 -6.657 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.718 -3.628 -2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.632 -5.405 -2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.074 -4.609 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.285 -1.322 -6.007 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.893 -2.387 -5.697 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.926 -1.857 -4.348 1.00 0.00 H new ATOM 712 N LYS A 46 4.901 -5.768 -6.596 1.00 0.00 N ATOM 713 CA LYS A 46 6.350 -5.894 -6.686 1.00 0.00 C ATOM 714 C LYS A 46 6.995 -4.547 -6.997 1.00 0.00 C ATOM 715 O LYS A 46 6.308 -3.581 -7.326 1.00 0.00 O ATOM 716 CB LYS A 46 6.728 -6.913 -7.763 1.00 0.00 C ATOM 717 CG LYS A 46 6.110 -8.284 -7.547 1.00 0.00 C ATOM 718 CD LYS A 46 7.015 -9.179 -6.717 1.00 0.00 C ATOM 719 CE LYS A 46 6.715 -9.050 -5.232 1.00 0.00 C ATOM 720 NZ LYS A 46 7.507 -10.016 -4.420 1.00 0.00 N ATOM 0 H LYS A 46 4.452 -5.445 -7.453 1.00 0.00 H new ATOM 0 HA LYS A 46 6.720 -6.240 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.417 -6.533 -8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.813 -7.013 -7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.147 -8.176 -7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.918 -8.754 -8.512 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.886 -10.216 -7.027 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.057 -8.918 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.935 -8.034 -4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.652 -9.217 -5.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.274 -9.896 -3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.279 -10.987 -4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.522 -9.840 -4.564 1.00 0.00 H new ATOM 734 N GLU A 47 8.320 -4.492 -6.893 1.00 0.00 N ATOM 735 CA GLU A 47 9.056 -3.263 -7.164 1.00 0.00 C ATOM 736 C GLU A 47 8.623 -2.652 -8.494 1.00 0.00 C ATOM 737 O GLU A 47 8.411 -1.443 -8.594 1.00 0.00 O ATOM 738 CB GLU A 47 10.561 -3.537 -7.182 1.00 0.00 C ATOM 739 CG GLU A 47 11.410 -2.286 -7.031 1.00 0.00 C ATOM 740 CD GLU A 47 12.896 -2.575 -7.123 1.00 0.00 C ATOM 741 OE1 GLU A 47 13.496 -2.934 -6.089 1.00 0.00 O ATOM 742 OE2 GLU A 47 13.458 -2.441 -8.231 1.00 0.00 O ATOM 0 H GLU A 47 8.904 -5.283 -6.623 1.00 0.00 H new ATOM 0 HA GLU A 47 8.833 -2.553 -6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.805 -4.231 -6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.821 -4.031 -8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.135 -1.569 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.193 -1.818 -6.071 1.00 0.00 H new ATOM 749 N SER A 48 8.495 -3.496 -9.513 1.00 0.00 N ATOM 750 CA SER A 48 8.093 -3.039 -10.838 1.00 0.00 C ATOM 751 C SER A 48 6.748 -2.321 -10.779 1.00 0.00 C ATOM 752 O SER A 48 6.604 -1.205 -11.279 1.00 0.00 O ATOM 753 CB SER A 48 8.011 -4.222 -11.805 1.00 0.00 C ATOM 754 OG SER A 48 9.227 -4.949 -11.825 1.00 0.00 O ATOM 0 H SER A 48 8.664 -4.500 -9.446 1.00 0.00 H new ATOM 0 HA SER A 48 8.845 -2.337 -11.198 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.194 -4.881 -11.510 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.783 -3.861 -12.808 1.00 0.00 H new ATOM 0 HG SER A 48 9.149 -5.701 -12.449 1.00 0.00 H new ATOM 760 N HIS A 49 5.764 -2.970 -10.165 1.00 0.00 N ATOM 761 CA HIS A 49 4.429 -2.395 -10.040 1.00 0.00 C ATOM 762 C HIS A 49 4.508 -0.918 -9.665 1.00 0.00 C ATOM 763 O HIS A 49 3.933 -0.064 -10.342 1.00 0.00 O ATOM 764 CB HIS A 49 3.619 -3.157 -8.991 1.00 0.00 C ATOM 765 CG HIS A 49 2.954 -4.388 -9.525 1.00 0.00 C ATOM 766 ND1 HIS A 49 3.557 -5.629 -9.524 1.00 0.00 N ATOM 767 CD2 HIS A 49 1.732 -4.565 -10.079 1.00 0.00 C ATOM 768 CE1 HIS A 49 2.734 -6.515 -10.055 1.00 0.00 C ATOM 769 NE2 HIS A 49 1.619 -5.896 -10.400 1.00 0.00 N ATOM 0 H HIS A 49 5.866 -3.894 -9.746 1.00 0.00 H new ATOM 0 HA HIS A 49 3.930 -2.481 -11.005 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.277 -3.437 -8.169 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.859 -2.493 -8.578 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.985 -3.802 -10.239 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.938 -7.568 -10.185 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.807 -6.335 -10.834 1.00 0.00 H new ATOM 778 N LEU A 50 5.221 -0.624 -8.584 1.00 0.00 N ATOM 779 CA LEU A 50 5.374 0.750 -8.119 1.00 0.00 C ATOM 780 C LEU A 50 5.855 1.657 -9.247 1.00 0.00 C ATOM 781 O LEU A 50 5.304 2.736 -9.468 1.00 0.00 O ATOM 782 CB LEU A 50 6.358 0.807 -6.949 1.00 0.00 C ATOM 783 CG LEU A 50 6.040 -0.100 -5.760 1.00 0.00 C ATOM 784 CD1 LEU A 50 7.253 -0.236 -4.853 1.00 0.00 C ATOM 785 CD2 LEU A 50 4.848 0.438 -4.982 1.00 0.00 C ATOM 0 H LEU A 50 5.702 -1.319 -8.013 1.00 0.00 H new ATOM 0 HA LEU A 50 4.399 1.104 -7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.350 0.550 -7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.408 1.836 -6.592 1.00 0.00 H new ATOM 0 HG LEU A 50 5.784 -1.089 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.008 -0.885 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.081 -0.668 -5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.541 0.747 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.636 -0.220 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.076 1.438 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.977 0.482 -5.636 1.00 0.00 H new ATOM 797 N ILE A 51 6.884 1.211 -9.960 1.00 0.00 N ATOM 798 CA ILE A 51 7.437 1.980 -11.067 1.00 0.00 C ATOM 799 C ILE A 51 6.338 2.444 -12.017 1.00 0.00 C ATOM 800 O ILE A 51 6.200 3.637 -12.286 1.00 0.00 O ATOM 801 CB ILE A 51 8.473 1.162 -11.860 1.00 0.00 C ATOM 802 CG1 ILE A 51 9.565 0.639 -10.926 1.00 0.00 C ATOM 803 CG2 ILE A 51 9.078 2.007 -12.971 1.00 0.00 C ATOM 804 CD1 ILE A 51 10.602 -0.213 -11.625 1.00 0.00 C ATOM 0 H ILE A 51 7.351 0.320 -9.790 1.00 0.00 H new ATOM 0 HA ILE A 51 7.929 2.849 -10.631 1.00 0.00 H new ATOM 0 HB ILE A 51 7.970 0.308 -12.313 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.062 1.485 -10.452 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.102 0.054 -10.131 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.808 1.415 -13.522 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.290 2.334 -13.649 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.570 2.878 -12.539 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.345 -0.549 -10.901 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.117 -1.079 -12.076 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.092 0.374 -12.402 1.00 0.00 H new ATOM 816 N GLU A 52 5.556 1.493 -12.519 1.00 0.00 N ATOM 817 CA GLU A 52 4.468 1.806 -13.438 1.00 0.00 C ATOM 818 C GLU A 52 3.443 2.723 -12.776 1.00 0.00 C ATOM 819 O GLU A 52 2.677 3.408 -13.454 1.00 0.00 O ATOM 820 CB GLU A 52 3.787 0.520 -13.912 1.00 0.00 C ATOM 821 CG GLU A 52 4.596 -0.255 -14.938 1.00 0.00 C ATOM 822 CD GLU A 52 4.732 0.486 -16.254 1.00 0.00 C ATOM 823 OE1 GLU A 52 3.698 0.932 -16.794 1.00 0.00 O ATOM 824 OE2 GLU A 52 5.873 0.618 -16.745 1.00 0.00 O ATOM 0 H GLU A 52 5.656 0.501 -12.305 1.00 0.00 H new ATOM 0 HA GLU A 52 4.891 2.324 -14.299 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.600 -0.121 -13.050 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.816 0.770 -14.341 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.588 -0.457 -14.535 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.121 -1.220 -15.116 1.00 0.00 H new ATOM 831 N LEU A 53 3.436 2.730 -11.447 1.00 0.00 N ATOM 832 CA LEU A 53 2.505 3.562 -10.692 1.00 0.00 C ATOM 833 C LEU A 53 3.055 4.974 -10.519 1.00 0.00 C ATOM 834 O LEU A 53 2.625 5.714 -9.635 1.00 0.00 O ATOM 835 CB LEU A 53 2.229 2.938 -9.322 1.00 0.00 C ATOM 836 CG LEU A 53 1.450 1.622 -9.329 1.00 0.00 C ATOM 837 CD1 LEU A 53 1.326 1.069 -7.918 1.00 0.00 C ATOM 838 CD2 LEU A 53 0.075 1.820 -9.949 1.00 0.00 C ATOM 0 H LEU A 53 4.064 2.170 -10.871 1.00 0.00 H new ATOM 0 HA LEU A 53 1.572 3.621 -11.252 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.183 2.770 -8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.677 3.660 -8.720 1.00 0.00 H new ATOM 0 HG LEU A 53 1.998 0.900 -9.934 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.769 0.132 -7.942 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.320 0.889 -7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.800 1.788 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.465 0.873 -9.946 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.482 2.558 -9.371 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.186 2.171 -10.975 1.00 0.00 H new ATOM 850 N ASN A 54 4.007 5.341 -11.370 1.00 0.00 N ATOM 851 CA ASN A 54 4.614 6.666 -11.313 1.00 0.00 C ATOM 852 C ASN A 54 5.522 6.796 -10.093 1.00 0.00 C ATOM 853 O ASN A 54 5.761 7.898 -9.599 1.00 0.00 O ATOM 854 CB ASN A 54 3.531 7.745 -11.274 1.00 0.00 C ATOM 855 CG ASN A 54 2.438 7.504 -12.297 1.00 0.00 C ATOM 856 OD1 ASN A 54 2.521 7.972 -13.433 1.00 0.00 O ATOM 857 ND2 ASN A 54 1.405 6.772 -11.897 1.00 0.00 N ATOM 0 H ASN A 54 4.375 4.740 -12.107 1.00 0.00 H new ATOM 0 HA ASN A 54 5.218 6.800 -12.210 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.091 7.779 -10.277 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.986 8.719 -11.455 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.638 6.577 -12.541 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.378 6.404 -10.946 1.00 0.00 H new ATOM 864 N ILE A 55 6.023 5.663 -9.612 1.00 0.00 N ATOM 865 CA ILE A 55 6.905 5.651 -8.452 1.00 0.00 C ATOM 866 C ILE A 55 8.343 5.342 -8.857 1.00 0.00 C ATOM 867 O ILE A 55 9.112 4.782 -8.076 1.00 0.00 O ATOM 868 CB ILE A 55 6.445 4.618 -7.406 1.00 0.00 C ATOM 869 CG1 ILE A 55 4.925 4.671 -7.240 1.00 0.00 C ATOM 870 CG2 ILE A 55 7.138 4.867 -6.075 1.00 0.00 C ATOM 871 CD1 ILE A 55 4.391 3.665 -6.244 1.00 0.00 C ATOM 0 H ILE A 55 5.833 4.742 -10.008 1.00 0.00 H new ATOM 0 HA ILE A 55 6.860 6.647 -8.012 1.00 0.00 H new ATOM 0 HB ILE A 55 6.719 3.622 -7.755 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.637 5.673 -6.922 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.455 4.496 -8.208 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.802 4.129 -5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.217 4.784 -6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.892 5.867 -5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.307 3.759 -6.177 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.648 2.658 -6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.832 3.853 -5.265 1.00 0.00 H new ATOM 883 N ALA A 56 8.699 5.711 -10.083 1.00 0.00 N ATOM 884 CA ALA A 56 10.045 5.477 -10.590 1.00 0.00 C ATOM 885 C ALA A 56 11.089 5.707 -9.503 1.00 0.00 C ATOM 886 O ALA A 56 12.180 5.137 -9.547 1.00 0.00 O ATOM 887 CB ALA A 56 10.321 6.375 -11.788 1.00 0.00 C ATOM 0 H ALA A 56 8.074 6.173 -10.743 1.00 0.00 H new ATOM 0 HA ALA A 56 10.112 4.436 -10.906 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.330 6.190 -12.157 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.601 6.160 -12.578 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.230 7.419 -11.489 1.00 0.00 H new ATOM 893 N ASP A 57 10.749 6.544 -8.530 1.00 0.00 N ATOM 894 CA ASP A 57 11.657 6.848 -7.430 1.00 0.00 C ATOM 895 C ASP A 57 11.746 5.676 -6.458 1.00 0.00 C ATOM 896 O ASP A 57 10.737 5.126 -6.016 1.00 0.00 O ATOM 897 CB ASP A 57 11.195 8.105 -6.692 1.00 0.00 C ATOM 898 CG ASP A 57 11.782 9.372 -7.282 1.00 0.00 C ATOM 899 OD1 ASP A 57 12.885 9.772 -6.854 1.00 0.00 O ATOM 900 OD2 ASP A 57 11.138 9.964 -8.174 1.00 0.00 O ATOM 0 H ASP A 57 9.851 7.025 -8.480 1.00 0.00 H new ATOM 0 HA ASP A 57 12.648 7.025 -7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 57 10.107 8.163 -6.725 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.479 8.031 -5.642 1.00 0.00 H new ATOM 905 N PRO A 58 12.982 5.281 -6.118 1.00 0.00 N ATOM 906 CA PRO A 58 13.233 4.170 -5.196 1.00 0.00 C ATOM 907 C PRO A 58 12.840 4.507 -3.761 1.00 0.00 C ATOM 908 O PRO A 58 12.288 3.671 -3.047 1.00 0.00 O ATOM 909 CB PRO A 58 14.745 3.957 -5.299 1.00 0.00 C ATOM 910 CG PRO A 58 15.285 5.277 -5.728 1.00 0.00 C ATOM 911 CD PRO A 58 14.231 5.890 -6.607 1.00 0.00 C ATOM 0 HA PRO A 58 12.646 3.288 -5.452 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.167 3.648 -4.343 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.987 3.177 -6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.493 5.912 -4.867 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.223 5.157 -6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.212 6.976 -6.514 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.404 5.663 -7.659 1.00 0.00 H new ATOM 919 N GLU A 59 13.128 5.737 -3.347 1.00 0.00 N ATOM 920 CA GLU A 59 12.803 6.183 -1.997 1.00 0.00 C ATOM 921 C GLU A 59 11.374 5.799 -1.626 1.00 0.00 C ATOM 922 O GLU A 59 11.089 5.464 -0.476 1.00 0.00 O ATOM 923 CB GLU A 59 12.983 7.698 -1.880 1.00 0.00 C ATOM 924 CG GLU A 59 14.423 8.124 -1.648 1.00 0.00 C ATOM 925 CD GLU A 59 15.194 8.303 -2.941 1.00 0.00 C ATOM 926 OE1 GLU A 59 14.565 8.644 -3.964 1.00 0.00 O ATOM 927 OE2 GLU A 59 16.427 8.102 -2.930 1.00 0.00 O ATOM 0 H GLU A 59 13.585 6.441 -3.926 1.00 0.00 H new ATOM 0 HA GLU A 59 13.484 5.689 -1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.616 8.170 -2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.367 8.066 -1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 59 14.436 9.060 -1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.924 7.378 -1.031 1.00 0.00 H new ATOM 934 N ASP A 60 10.480 5.852 -2.607 1.00 0.00 N ATOM 935 CA ASP A 60 9.080 5.509 -2.385 1.00 0.00 C ATOM 936 C ASP A 60 8.855 4.009 -2.545 1.00 0.00 C ATOM 937 O ASP A 60 8.197 3.378 -1.718 1.00 0.00 O ATOM 938 CB ASP A 60 8.184 6.279 -3.357 1.00 0.00 C ATOM 939 CG ASP A 60 8.380 7.779 -3.261 1.00 0.00 C ATOM 940 OD1 ASP A 60 7.815 8.393 -2.331 1.00 0.00 O ATOM 941 OD2 ASP A 60 9.098 8.339 -4.115 1.00 0.00 O ATOM 0 H ASP A 60 10.700 6.129 -3.564 1.00 0.00 H new ATOM 0 HA ASP A 60 8.821 5.789 -1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.393 5.953 -4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.141 6.038 -3.153 1.00 0.00 H new ATOM 946 N ARG A 61 9.406 3.445 -3.615 1.00 0.00 N ATOM 947 CA ARG A 61 9.264 2.019 -3.885 1.00 0.00 C ATOM 948 C ARG A 61 9.717 1.191 -2.687 1.00 0.00 C ATOM 949 O ARG A 61 8.966 0.363 -2.172 1.00 0.00 O ATOM 950 CB ARG A 61 10.073 1.630 -5.124 1.00 0.00 C ATOM 951 CG ARG A 61 9.421 2.044 -6.432 1.00 0.00 C ATOM 952 CD ARG A 61 9.761 1.076 -7.555 1.00 0.00 C ATOM 953 NE ARG A 61 11.203 0.911 -7.717 1.00 0.00 N ATOM 954 CZ ARG A 61 11.958 1.720 -8.452 1.00 0.00 C ATOM 955 NH1 ARG A 61 11.410 2.746 -9.089 1.00 0.00 N ATOM 956 NH2 ARG A 61 13.263 1.505 -8.550 1.00 0.00 N ATOM 0 H ARG A 61 9.955 3.953 -4.309 1.00 0.00 H new ATOM 0 HA ARG A 61 8.210 1.813 -4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.061 2.086 -5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.220 0.550 -5.127 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.340 2.088 -6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.751 3.047 -6.703 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.306 0.107 -7.349 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.330 1.438 -8.489 1.00 0.00 H new ATOM 0 HE ARG A 61 11.655 0.132 -7.239 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.407 2.915 -9.015 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.992 3.366 -9.653 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.688 0.718 -8.061 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.841 2.127 -9.115 1.00 0.00 H new ATOM 970 N ALA A 62 10.951 1.420 -2.249 1.00 0.00 N ATOM 971 CA ALA A 62 11.504 0.696 -1.111 1.00 0.00 C ATOM 972 C ALA A 62 10.618 0.850 0.121 1.00 0.00 C ATOM 973 O ALA A 62 10.204 -0.139 0.727 1.00 0.00 O ATOM 974 CB ALA A 62 12.915 1.181 -0.812 1.00 0.00 C ATOM 0 H ALA A 62 11.586 2.101 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 62 11.542 -0.362 -1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.316 0.632 0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 62 13.549 1.014 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.892 2.246 -0.579 1.00 0.00 H new ATOM 980 N ARG A 63 10.331 2.095 0.486 1.00 0.00 N ATOM 981 CA ARG A 63 9.495 2.377 1.647 1.00 0.00 C ATOM 982 C ARG A 63 8.138 1.692 1.519 1.00 0.00 C ATOM 983 O ARG A 63 7.588 1.192 2.502 1.00 0.00 O ATOM 984 CB ARG A 63 9.303 3.887 1.809 1.00 0.00 C ATOM 985 CG ARG A 63 10.407 4.558 2.609 1.00 0.00 C ATOM 986 CD ARG A 63 10.114 6.034 2.832 1.00 0.00 C ATOM 987 NE ARG A 63 11.285 6.756 3.322 1.00 0.00 N ATOM 988 CZ ARG A 63 11.648 6.787 4.600 1.00 0.00 C ATOM 989 NH1 ARG A 63 10.934 6.140 5.511 1.00 0.00 N ATOM 990 NH2 ARG A 63 12.726 7.467 4.968 1.00 0.00 N ATOM 0 H ARG A 63 10.665 2.924 -0.005 1.00 0.00 H new ATOM 0 HA ARG A 63 9.999 1.985 2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.251 4.346 0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.347 4.073 2.298 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.516 4.058 3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.356 4.449 2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.777 6.482 1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.298 6.138 3.548 1.00 0.00 H new ATOM 0 HE ARG A 63 11.856 7.264 2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.104 5.617 5.231 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.215 6.165 6.491 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.277 7.967 4.270 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.004 7.490 5.949 1.00 0.00 H new ATOM 1004 N LEU A 64 7.602 1.673 0.304 1.00 0.00 N ATOM 1005 CA LEU A 64 6.309 1.050 0.047 1.00 0.00 C ATOM 1006 C LEU A 64 6.398 -0.467 0.187 1.00 0.00 C ATOM 1007 O LEU A 64 5.472 -1.111 0.683 1.00 0.00 O ATOM 1008 CB LEU A 64 5.813 1.416 -1.353 1.00 0.00 C ATOM 1009 CG LEU A 64 4.296 1.484 -1.531 1.00 0.00 C ATOM 1010 CD1 LEU A 64 3.941 2.201 -2.824 1.00 0.00 C ATOM 1011 CD2 LEU A 64 3.693 0.087 -1.511 1.00 0.00 C ATOM 0 H LEU A 64 8.043 2.082 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 64 5.600 1.424 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.234 2.384 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.209 0.687 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 64 3.878 2.051 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.857 2.239 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.339 3.215 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.372 1.663 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.613 0.155 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.118 -0.504 -2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.916 -0.392 -0.558 1.00 0.00 H new ATOM 1023 N LEU A 65 7.518 -1.031 -0.251 1.00 0.00 N ATOM 1024 CA LEU A 65 7.730 -2.472 -0.173 1.00 0.00 C ATOM 1025 C LEU A 65 8.069 -2.896 1.253 1.00 0.00 C ATOM 1026 O LEU A 65 7.325 -3.650 1.881 1.00 0.00 O ATOM 1027 CB LEU A 65 8.851 -2.895 -1.123 1.00 0.00 C ATOM 1028 CG LEU A 65 8.656 -2.530 -2.595 1.00 0.00 C ATOM 1029 CD1 LEU A 65 9.999 -2.309 -3.273 1.00 0.00 C ATOM 1030 CD2 LEU A 65 7.867 -3.615 -3.314 1.00 0.00 C ATOM 0 H LEU A 65 8.293 -0.512 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 65 6.805 -2.967 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.782 -2.445 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.973 -3.976 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 65 8.089 -1.601 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.840 -2.050 -4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.529 -1.497 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.592 -3.221 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.738 -3.338 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.408 -4.559 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.889 -3.726 -2.845 1.00 0.00 H new ATOM 1042 N SER A 66 9.196 -2.405 1.758 1.00 0.00 N ATOM 1043 CA SER A 66 9.635 -2.734 3.109 1.00 0.00 C ATOM 1044 C SER A 66 8.487 -2.591 4.104 1.00 0.00 C ATOM 1045 O SER A 66 8.520 -3.161 5.194 1.00 0.00 O ATOM 1046 CB SER A 66 10.799 -1.832 3.524 1.00 0.00 C ATOM 1047 OG SER A 66 11.212 -2.110 4.851 1.00 0.00 O ATOM 0 H SER A 66 9.822 -1.778 1.252 1.00 0.00 H new ATOM 0 HA SER A 66 9.969 -3.772 3.113 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.636 -1.977 2.841 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.500 -0.787 3.444 1.00 0.00 H new ATOM 0 HG SER A 66 11.958 -1.522 5.092 1.00 0.00 H new ATOM 1053 N ALA A 67 7.471 -1.825 3.719 1.00 0.00 N ATOM 1054 CA ALA A 67 6.311 -1.608 4.574 1.00 0.00 C ATOM 1055 C ALA A 67 5.271 -2.706 4.379 1.00 0.00 C ATOM 1056 O ALA A 67 4.845 -3.348 5.338 1.00 0.00 O ATOM 1057 CB ALA A 67 5.699 -0.243 4.296 1.00 0.00 C ATOM 0 H ALA A 67 7.428 -1.345 2.820 1.00 0.00 H new ATOM 0 HA ALA A 67 6.644 -1.641 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.833 -0.094 4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.437 0.534 4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.387 -0.190 3.253 1.00 0.00 H new ATOM 1063 N ALA A 68 4.867 -2.916 3.130 1.00 0.00 N ATOM 1064 CA ALA A 68 3.878 -3.938 2.809 1.00 0.00 C ATOM 1065 C ALA A 68 4.382 -5.327 3.184 1.00 0.00 C ATOM 1066 O ALA A 68 3.600 -6.202 3.554 1.00 0.00 O ATOM 1067 CB ALA A 68 3.524 -3.884 1.330 1.00 0.00 C ATOM 0 H ALA A 68 5.209 -2.392 2.324 1.00 0.00 H new ATOM 0 HA ALA A 68 2.981 -3.736 3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.785 -4.653 1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.113 -2.903 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.421 -4.057 0.735 1.00 0.00 H new ATOM 1073 N GLU A 69 5.694 -5.522 3.085 1.00 0.00 N ATOM 1074 CA GLU A 69 6.301 -6.807 3.413 1.00 0.00 C ATOM 1075 C GLU A 69 6.124 -7.130 4.894 1.00 0.00 C ATOM 1076 O GLU A 69 5.728 -8.239 5.255 1.00 0.00 O ATOM 1077 CB GLU A 69 7.789 -6.799 3.056 1.00 0.00 C ATOM 1078 CG GLU A 69 8.669 -6.181 4.130 1.00 0.00 C ATOM 1079 CD GLU A 69 10.133 -6.150 3.737 1.00 0.00 C ATOM 1080 OE1 GLU A 69 10.422 -5.906 2.547 1.00 0.00 O ATOM 1081 OE2 GLU A 69 10.989 -6.370 4.619 1.00 0.00 O ATOM 0 H GLU A 69 6.356 -4.808 2.781 1.00 0.00 H new ATOM 0 HA GLU A 69 5.798 -7.577 2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.116 -7.823 2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.928 -6.250 2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.329 -5.165 4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.557 -6.745 5.056 1.00 0.00 H new ATOM 1088 N SER A 70 6.420 -6.154 5.747 1.00 0.00 N ATOM 1089 CA SER A 70 6.298 -6.336 7.188 1.00 0.00 C ATOM 1090 C SER A 70 4.868 -6.704 7.571 1.00 0.00 C ATOM 1091 O SER A 70 4.641 -7.597 8.388 1.00 0.00 O ATOM 1092 CB SER A 70 6.722 -5.062 7.921 1.00 0.00 C ATOM 1093 OG SER A 70 7.264 -5.363 9.196 1.00 0.00 O ATOM 0 H SER A 70 6.746 -5.230 5.465 1.00 0.00 H new ATOM 0 HA SER A 70 6.956 -7.154 7.483 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.461 -4.525 7.326 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.863 -4.401 8.035 1.00 0.00 H new ATOM 0 HG SER A 70 7.529 -4.532 9.643 1.00 0.00 H new ATOM 1099 N LEU A 71 3.905 -6.009 6.974 1.00 0.00 N ATOM 1100 CA LEU A 71 2.495 -6.261 7.251 1.00 0.00 C ATOM 1101 C LEU A 71 2.059 -7.605 6.676 1.00 0.00 C ATOM 1102 O LEU A 71 1.556 -8.467 7.397 1.00 0.00 O ATOM 1103 CB LEU A 71 1.633 -5.140 6.668 1.00 0.00 C ATOM 1104 CG LEU A 71 2.138 -3.715 6.898 1.00 0.00 C ATOM 1105 CD1 LEU A 71 1.694 -2.802 5.766 1.00 0.00 C ATOM 1106 CD2 LEU A 71 1.649 -3.185 8.237 1.00 0.00 C ATOM 0 H LEU A 71 4.075 -5.267 6.295 1.00 0.00 H new ATOM 0 HA LEU A 71 2.361 -6.289 8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.540 -5.302 5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.632 -5.222 7.091 1.00 0.00 H new ATOM 0 HG LEU A 71 3.228 -3.735 6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.063 -1.792 5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.095 -3.171 4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.605 -2.787 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.018 -2.170 8.383 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.559 -3.180 8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.019 -3.825 9.038 1.00 0.00 H new ATOM 1118 N LEU A 72 2.258 -7.777 5.374 1.00 0.00 N ATOM 1119 CA LEU A 72 1.888 -9.018 4.701 1.00 0.00 C ATOM 1120 C LEU A 72 2.834 -10.150 5.087 1.00 0.00 C ATOM 1121 O LEU A 72 4.025 -9.930 5.305 1.00 0.00 O ATOM 1122 CB LEU A 72 1.901 -8.822 3.184 1.00 0.00 C ATOM 1123 CG LEU A 72 0.944 -7.763 2.636 1.00 0.00 C ATOM 1124 CD1 LEU A 72 1.488 -7.168 1.346 1.00 0.00 C ATOM 1125 CD2 LEU A 72 -0.438 -8.359 2.409 1.00 0.00 C ATOM 0 H LEU A 72 2.673 -7.074 4.763 1.00 0.00 H new ATOM 0 HA LEU A 72 0.880 -9.288 5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.914 -8.559 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.664 -9.776 2.712 1.00 0.00 H new ATOM 0 HG LEU A 72 0.857 -6.964 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.794 -6.416 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.455 -6.704 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.605 -7.957 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.106 -7.591 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.368 -9.177 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.831 -8.736 3.353 1.00 0.00 H new ATOM 1137 N SER A 73 2.296 -11.363 5.168 1.00 0.00 N ATOM 1138 CA SER A 73 3.092 -12.530 5.529 1.00 0.00 C ATOM 1139 C SER A 73 4.485 -12.449 4.913 1.00 0.00 C ATOM 1140 O SER A 73 5.487 -12.696 5.583 1.00 0.00 O ATOM 1141 CB SER A 73 2.393 -13.812 5.071 1.00 0.00 C ATOM 1142 OG SER A 73 2.018 -13.728 3.707 1.00 0.00 O ATOM 0 H SER A 73 1.312 -11.563 4.988 1.00 0.00 H new ATOM 0 HA SER A 73 3.194 -12.548 6.614 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.057 -14.664 5.217 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.509 -13.987 5.684 1.00 0.00 H new ATOM 0 HG SER A 73 1.575 -14.560 3.438 1.00 0.00 H new ATOM 1148 N GLY A 74 4.540 -12.100 3.631 1.00 0.00 N ATOM 1149 CA GLY A 74 5.814 -11.992 2.945 1.00 0.00 C ATOM 1150 C GLY A 74 5.881 -12.863 1.706 1.00 0.00 C ATOM 1151 O GLY A 74 5.343 -13.969 1.669 1.00 0.00 O ATOM 0 H GLY A 74 3.725 -11.890 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.985 -10.953 2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.616 -12.274 3.627 1.00 0.00 H new ATOM 1155 N PRO A 75 6.554 -12.360 0.661 1.00 0.00 N ATOM 1156 CA PRO A 75 6.705 -13.083 -0.605 1.00 0.00 C ATOM 1157 C PRO A 75 7.619 -14.297 -0.475 1.00 0.00 C ATOM 1158 O PRO A 75 8.339 -14.440 0.513 1.00 0.00 O ATOM 1159 CB PRO A 75 7.329 -12.042 -1.537 1.00 0.00 C ATOM 1160 CG PRO A 75 8.037 -11.096 -0.628 1.00 0.00 C ATOM 1161 CD PRO A 75 7.221 -11.048 0.635 1.00 0.00 C ATOM 0 HA PRO A 75 5.755 -13.480 -0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.019 -12.505 -2.242 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.567 -11.530 -2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.052 -11.436 -0.424 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.117 -10.107 -1.079 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.849 -10.899 1.513 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.500 -10.231 0.616 1.00 0.00 H new ATOM 1169 N SER A 76 7.585 -15.168 -1.478 1.00 0.00 N ATOM 1170 CA SER A 76 8.408 -16.372 -1.474 1.00 0.00 C ATOM 1171 C SER A 76 9.846 -16.045 -1.083 1.00 0.00 C ATOM 1172 O SER A 76 10.383 -16.601 -0.125 1.00 0.00 O ATOM 1173 CB SER A 76 8.381 -17.039 -2.850 1.00 0.00 C ATOM 1174 OG SER A 76 8.999 -18.314 -2.811 1.00 0.00 O ATOM 0 H SER A 76 6.996 -15.063 -2.304 1.00 0.00 H new ATOM 0 HA SER A 76 7.996 -17.061 -0.737 1.00 0.00 H new ATOM 0 HB2 SER A 76 7.350 -17.141 -3.188 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.892 -16.406 -3.575 1.00 0.00 H new ATOM 0 HG SER A 76 8.967 -18.720 -3.702 1.00 0.00 H new ATOM 1180 N SER A 77 10.465 -15.139 -1.834 1.00 0.00 N ATOM 1181 CA SER A 77 11.842 -14.739 -1.570 1.00 0.00 C ATOM 1182 C SER A 77 11.891 -13.377 -0.884 1.00 0.00 C ATOM 1183 O SER A 77 11.595 -12.351 -1.494 1.00 0.00 O ATOM 1184 CB SER A 77 12.642 -14.695 -2.873 1.00 0.00 C ATOM 1185 OG SER A 77 12.684 -15.971 -3.489 1.00 0.00 O ATOM 0 H SER A 77 10.034 -14.668 -2.630 1.00 0.00 H new ATOM 0 HA SER A 77 12.287 -15.478 -0.904 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.193 -13.973 -3.555 1.00 0.00 H new ATOM 0 HB3 SER A 77 13.657 -14.352 -2.669 1.00 0.00 H new ATOM 0 HG SER A 77 13.199 -15.916 -4.321 1.00 0.00 H new ATOM 1191 N GLY A 78 12.267 -13.377 0.392 1.00 0.00 N ATOM 1192 CA GLY A 78 12.348 -12.137 1.141 1.00 0.00 C ATOM 1193 C GLY A 78 13.475 -11.243 0.663 1.00 0.00 C ATOM 1194 O GLY A 78 13.297 -10.449 -0.261 1.00 0.00 O ATOM 0 H GLY A 78 12.517 -14.214 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 78 11.402 -11.602 1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 78 12.491 -12.363 2.198 1.00 0.00 H new TER 1198 GLY A 78