USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 850 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 59 ASN :FLIP amide:sc= -0.907 F(o=-2.3!,f=-0.91) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 20 GLN : amide:sc= -2.18! C(o=-3.2!,f=-7.5!) USER MOD Set 2.2: A 24 TYR OH : rot 93:sc= -1! USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 29 ASN :FLIP amide:sc= -5.97! C(o=-6.5!,f=-6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 7 ASN : amide:sc= -0.662 K(o=-0.66,f=-5.3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 85:sc= -8.51! USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.213 F(o=-1.2,f=-0.21) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 142:sc= -0.464 (180deg=-2.18!) USER MOD Single : A 39 GLN :FLIP amide:sc= -5.99! C(o=-7.2!,f=-6!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -167:sc= -2.19 (180deg=-2.6) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 120:sc= -1.69! USER MOD Single : A 66 ASN : amide:sc= -7.1! C(o=-7.1!,f=-28!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -44:sc= 0.694 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 173:sc= -4.73! (180deg=-4.8!) USER MOD Single : A 83 SER OG : rot -60:sc= -1.8! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -50:sc= 0.211 USER MOD Single : A 88 LYS NZ :NH3+ -134:sc= -0.0373 (180deg=-1.23) USER MOD Single : A 92 SER OG : rot 102:sc= -0.0617 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.102 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.732 -24.077 -3.012 1.00 0.00 N ATOM 2 CA MET A 1 -23.603 -22.608 -2.788 1.00 0.00 C ATOM 3 C MET A 1 -22.126 -22.217 -2.678 1.00 0.00 C ATOM 4 O MET A 1 -21.405 -22.711 -1.836 1.00 0.00 O ATOM 5 CB MET A 1 -24.326 -22.345 -1.467 1.00 0.00 C ATOM 6 CG MET A 1 -24.692 -20.862 -1.372 1.00 0.00 C ATOM 7 SD MET A 1 -23.950 -20.152 0.119 1.00 0.00 S ATOM 8 CE MET A 1 -25.410 -20.276 1.180 1.00 0.00 C ATOM 0 H1 MET A 1 -24.738 -24.330 -3.085 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.245 -24.338 -3.893 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.303 -24.589 -2.215 1.00 0.00 H new ATOM 0 HA MET A 1 -24.025 -22.026 -3.608 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.226 -22.957 -1.404 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.689 -22.628 -0.629 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.337 -20.332 -2.256 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.775 -20.745 -1.343 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.174 -19.886 2.170 1.00 0.00 H new ATOM 0 HE2 MET A 1 -26.225 -19.697 0.746 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.711 -21.320 1.264 1.00 0.00 H new ATOM 20 N ALA A 2 -21.674 -21.334 -3.525 1.00 0.00 N ATOM 21 CA ALA A 2 -20.245 -20.912 -3.469 1.00 0.00 C ATOM 22 C ALA A 2 -20.066 -19.556 -4.158 1.00 0.00 C ATOM 23 O ALA A 2 -19.667 -19.479 -5.303 1.00 0.00 O ATOM 24 CB ALA A 2 -19.480 -22.002 -4.222 1.00 0.00 C ATOM 0 H ALA A 2 -22.231 -20.887 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 2 -19.888 -20.797 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.416 -21.764 -4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -19.635 -22.962 -3.729 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.843 -22.058 -5.248 1.00 0.00 H new ATOM 30 N GLU A 3 -20.358 -18.487 -3.469 1.00 0.00 N ATOM 31 CA GLU A 3 -20.205 -17.138 -4.087 1.00 0.00 C ATOM 32 C GLU A 3 -19.229 -16.289 -3.267 1.00 0.00 C ATOM 33 O GLU A 3 -19.050 -16.500 -2.084 1.00 0.00 O ATOM 34 CB GLU A 3 -21.606 -16.526 -4.054 1.00 0.00 C ATOM 35 CG GLU A 3 -21.514 -15.024 -4.330 1.00 0.00 C ATOM 36 CD GLU A 3 -22.914 -14.466 -4.595 1.00 0.00 C ATOM 37 OE1 GLU A 3 -23.865 -15.046 -4.098 1.00 0.00 O ATOM 38 OE2 GLU A 3 -23.010 -13.468 -5.289 1.00 0.00 O ATOM 0 H GLU A 3 -20.695 -18.488 -2.506 1.00 0.00 H new ATOM 0 HA GLU A 3 -19.807 -17.190 -5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -22.241 -17.005 -4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -22.068 -16.700 -3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -21.063 -14.514 -3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -20.869 -14.840 -5.189 1.00 0.00 H new ATOM 45 N ASN A 4 -18.597 -15.331 -3.887 1.00 0.00 N ATOM 46 CA ASN A 4 -17.633 -14.469 -3.142 1.00 0.00 C ATOM 47 C ASN A 4 -18.260 -13.984 -1.833 1.00 0.00 C ATOM 48 O ASN A 4 -19.307 -13.368 -1.826 1.00 0.00 O ATOM 49 CB ASN A 4 -17.355 -13.290 -4.074 1.00 0.00 C ATOM 50 CG ASN A 4 -16.238 -12.426 -3.484 1.00 0.00 C ATOM 51 OD1 ASN A 4 -15.182 -13.004 -2.978 1.00 0.00 O flip ATOM 52 ND2 ASN A 4 -16.326 -11.214 -3.484 1.00 0.00 N flip ATOM 0 H ASN A 4 -18.705 -15.107 -4.876 1.00 0.00 H new ATOM 0 HA ASN A 4 -16.720 -15.003 -2.877 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -17.066 -13.653 -5.061 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -18.259 -12.695 -4.205 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -17.151 -10.763 -3.879 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -15.575 -10.648 -3.089 1.00 0.00 H new ATOM 59 N GLY A 5 -17.627 -14.256 -0.725 1.00 0.00 N ATOM 60 CA GLY A 5 -18.188 -13.808 0.581 1.00 0.00 C ATOM 61 C GLY A 5 -18.262 -12.282 0.610 1.00 0.00 C ATOM 62 O GLY A 5 -17.959 -11.617 -0.361 1.00 0.00 O ATOM 0 H GLY A 5 -16.747 -14.768 -0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -19.181 -14.233 0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -17.564 -14.168 1.399 1.00 0.00 H new ATOM 66 N ASP A 6 -18.664 -11.718 1.717 1.00 0.00 N ATOM 67 CA ASP A 6 -18.757 -10.233 1.807 1.00 0.00 C ATOM 68 C ASP A 6 -17.386 -9.601 1.556 1.00 0.00 C ATOM 69 O ASP A 6 -16.572 -10.130 0.824 1.00 0.00 O ATOM 70 CB ASP A 6 -19.225 -9.952 3.235 1.00 0.00 C ATOM 71 CG ASP A 6 -18.086 -10.248 4.212 1.00 0.00 C ATOM 72 OD1 ASP A 6 -17.114 -10.855 3.791 1.00 0.00 O ATOM 73 OD2 ASP A 6 -18.204 -9.864 5.364 1.00 0.00 O ATOM 0 H ASP A 6 -18.932 -12.222 2.563 1.00 0.00 H new ATOM 0 HA ASP A 6 -19.438 -9.816 1.066 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -19.538 -8.912 3.329 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -20.092 -10.568 3.473 1.00 0.00 H new ATOM 78 N ASN A 7 -17.123 -8.473 2.157 1.00 0.00 N ATOM 79 CA ASN A 7 -15.804 -7.809 1.953 1.00 0.00 C ATOM 80 C ASN A 7 -15.527 -6.822 3.091 1.00 0.00 C ATOM 81 O ASN A 7 -14.767 -5.886 2.942 1.00 0.00 O ATOM 82 CB ASN A 7 -15.933 -7.070 0.621 1.00 0.00 C ATOM 83 CG ASN A 7 -16.960 -5.944 0.758 1.00 0.00 C ATOM 84 OD1 ASN A 7 -17.958 -6.095 1.434 1.00 0.00 O ATOM 85 ND2 ASN A 7 -16.756 -4.813 0.140 1.00 0.00 N ATOM 0 H ASN A 7 -17.764 -7.982 2.780 1.00 0.00 H new ATOM 0 HA ASN A 7 -14.980 -8.522 1.944 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.967 -6.661 0.325 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -16.240 -7.763 -0.163 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -17.434 -4.056 0.225 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.918 -4.686 -0.428 1.00 0.00 H new ATOM 92 N GLU A 8 -16.139 -7.025 4.226 1.00 0.00 N ATOM 93 CA GLU A 8 -15.909 -6.098 5.371 1.00 0.00 C ATOM 94 C GLU A 8 -14.445 -6.157 5.814 1.00 0.00 C ATOM 95 O GLU A 8 -13.785 -5.146 5.946 1.00 0.00 O ATOM 96 CB GLU A 8 -16.828 -6.608 6.482 1.00 0.00 C ATOM 97 CG GLU A 8 -17.928 -5.578 6.749 1.00 0.00 C ATOM 98 CD GLU A 8 -19.034 -6.218 7.589 1.00 0.00 C ATOM 99 OE1 GLU A 8 -19.063 -7.435 7.664 1.00 0.00 O ATOM 100 OE2 GLU A 8 -19.833 -5.481 8.141 1.00 0.00 O ATOM 0 H GLU A 8 -16.787 -7.791 4.410 1.00 0.00 H new ATOM 0 HA GLU A 8 -16.119 -5.060 5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -17.270 -7.561 6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.253 -6.786 7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.514 -4.715 7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.337 -5.215 5.806 1.00 0.00 H new ATOM 107 N LYS A 9 -13.933 -7.335 6.045 1.00 0.00 N ATOM 108 CA LYS A 9 -12.511 -7.458 6.479 1.00 0.00 C ATOM 109 C LYS A 9 -11.577 -6.949 5.377 1.00 0.00 C ATOM 110 O LYS A 9 -10.623 -6.242 5.636 1.00 0.00 O ATOM 111 CB LYS A 9 -12.298 -8.952 6.718 1.00 0.00 C ATOM 112 CG LYS A 9 -10.920 -9.180 7.344 1.00 0.00 C ATOM 113 CD LYS A 9 -9.998 -9.846 6.324 1.00 0.00 C ATOM 114 CE LYS A 9 -8.604 -9.218 6.408 1.00 0.00 C ATOM 115 NZ LYS A 9 -7.960 -9.867 7.583 1.00 0.00 N ATOM 0 H LYS A 9 -14.437 -8.217 5.952 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.298 -6.870 7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.076 -9.340 7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.376 -9.496 5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.495 -8.230 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.011 -9.807 8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.938 -10.917 6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.403 -9.725 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.034 -9.398 5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.665 -8.137 6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.999 -9.488 7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.521 -9.673 8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.910 -10.894 7.428 1.00 0.00 H new ATOM 129 N MET A 10 -11.847 -7.302 4.151 1.00 0.00 N ATOM 130 CA MET A 10 -10.976 -6.838 3.032 1.00 0.00 C ATOM 131 C MET A 10 -10.947 -5.310 2.985 1.00 0.00 C ATOM 132 O MET A 10 -9.935 -4.706 2.688 1.00 0.00 O ATOM 133 CB MET A 10 -11.622 -7.404 1.767 1.00 0.00 C ATOM 134 CG MET A 10 -10.534 -7.733 0.741 1.00 0.00 C ATOM 135 SD MET A 10 -11.178 -7.463 -0.929 1.00 0.00 S ATOM 136 CE MET A 10 -9.608 -7.008 -1.706 1.00 0.00 C ATOM 0 H MET A 10 -12.632 -7.891 3.874 1.00 0.00 H new ATOM 0 HA MET A 10 -9.944 -7.171 3.145 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.193 -8.301 2.008 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.324 -6.682 1.350 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.658 -7.107 0.910 1.00 0.00 H new ATOM 0 HG3 MET A 10 -10.212 -8.768 0.855 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.773 -6.795 -2.762 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.203 -6.123 -1.216 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.901 -7.832 -1.609 1.00 0.00 H new ATOM 146 N ALA A 11 -12.050 -4.683 3.276 1.00 0.00 N ATOM 147 CA ALA A 11 -12.087 -3.192 3.249 1.00 0.00 C ATOM 148 C ALA A 11 -11.046 -2.629 4.219 1.00 0.00 C ATOM 149 O ALA A 11 -10.332 -1.696 3.906 1.00 0.00 O ATOM 150 CB ALA A 11 -13.499 -2.822 3.702 1.00 0.00 C ATOM 0 H ALA A 11 -12.928 -5.135 3.531 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.860 -2.787 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.606 -1.737 3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.227 -3.254 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.672 -3.210 4.706 1.00 0.00 H new ATOM 156 N ALA A 12 -10.948 -3.194 5.390 1.00 0.00 N ATOM 157 CA ALA A 12 -9.946 -2.699 6.376 1.00 0.00 C ATOM 158 C ALA A 12 -8.536 -3.074 5.913 1.00 0.00 C ATOM 159 O ALA A 12 -7.583 -2.357 6.146 1.00 0.00 O ATOM 160 CB ALA A 12 -10.292 -3.410 7.684 1.00 0.00 C ATOM 0 H ALA A 12 -11.519 -3.978 5.707 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.969 -1.615 6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.597 -3.097 8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.309 -3.152 7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.218 -4.488 7.543 1.00 0.00 H new ATOM 166 N LEU A 13 -8.399 -4.194 5.257 1.00 0.00 N ATOM 167 CA LEU A 13 -7.054 -4.619 4.775 1.00 0.00 C ATOM 168 C LEU A 13 -6.497 -3.587 3.789 1.00 0.00 C ATOM 169 O LEU A 13 -5.338 -3.227 3.840 1.00 0.00 O ATOM 170 CB LEU A 13 -7.291 -5.957 4.075 1.00 0.00 C ATOM 171 CG LEU A 13 -6.008 -6.402 3.372 1.00 0.00 C ATOM 172 CD1 LEU A 13 -5.717 -7.864 3.717 1.00 0.00 C ATOM 173 CD2 LEU A 13 -6.180 -6.260 1.858 1.00 0.00 C ATOM 0 H LEU A 13 -9.161 -4.834 5.034 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.331 -4.706 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.600 -6.709 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.100 -5.862 3.351 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.178 -5.778 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.802 -8.181 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.594 -7.966 4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.547 -8.488 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.266 -6.577 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.011 -6.883 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.387 -5.219 1.611 1.00 0.00 H new ATOM 185 N GLU A 14 -7.317 -3.112 2.892 1.00 0.00 N ATOM 186 CA GLU A 14 -6.838 -2.104 1.901 1.00 0.00 C ATOM 187 C GLU A 14 -6.342 -0.849 2.621 1.00 0.00 C ATOM 188 O GLU A 14 -5.290 -0.322 2.320 1.00 0.00 O ATOM 189 CB GLU A 14 -8.066 -1.777 1.053 1.00 0.00 C ATOM 190 CG GLU A 14 -7.670 -0.829 -0.079 1.00 0.00 C ATOM 191 CD GLU A 14 -8.844 0.098 -0.403 1.00 0.00 C ATOM 192 OE1 GLU A 14 -9.115 0.980 0.395 1.00 0.00 O ATOM 193 OE2 GLU A 14 -9.451 -0.092 -1.444 1.00 0.00 O ATOM 0 H GLU A 14 -8.298 -3.377 2.802 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.008 -2.476 1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.491 -2.693 0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.837 -1.318 1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.799 -0.242 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.389 -1.400 -0.964 1.00 0.00 H new ATOM 200 N ALA A 15 -7.096 -0.367 3.568 1.00 0.00 N ATOM 201 CA ALA A 15 -6.675 0.853 4.310 1.00 0.00 C ATOM 202 C ALA A 15 -5.394 0.576 5.100 1.00 0.00 C ATOM 203 O ALA A 15 -4.543 1.432 5.242 1.00 0.00 O ATOM 204 CB ALA A 15 -7.839 1.152 5.254 1.00 0.00 C ATOM 0 H ALA A 15 -7.988 -0.766 3.861 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.459 1.691 3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.611 2.041 5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.744 1.324 4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.993 0.304 5.922 1.00 0.00 H new ATOM 210 N LYS A 16 -5.248 -0.614 5.612 1.00 0.00 N ATOM 211 CA LYS A 16 -4.020 -0.947 6.390 1.00 0.00 C ATOM 212 C LYS A 16 -2.776 -0.759 5.517 1.00 0.00 C ATOM 213 O LYS A 16 -1.757 -0.275 5.967 1.00 0.00 O ATOM 214 CB LYS A 16 -4.184 -2.415 6.783 1.00 0.00 C ATOM 215 CG LYS A 16 -4.595 -2.508 8.254 1.00 0.00 C ATOM 216 CD LYS A 16 -5.167 -3.898 8.539 1.00 0.00 C ATOM 217 CE LYS A 16 -6.670 -3.788 8.803 1.00 0.00 C ATOM 218 NZ LYS A 16 -6.932 -4.718 9.936 1.00 0.00 N ATOM 0 H LYS A 16 -5.926 -1.371 5.526 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.896 -0.305 7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.937 -2.889 6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.250 -2.952 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.734 -2.319 8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.337 -1.744 8.484 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.983 -4.559 7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.667 -4.339 9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.952 -2.766 9.058 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.247 -4.068 7.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.944 -4.697 10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.660 -5.684 9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.375 -4.423 10.763 1.00 0.00 H new ATOM 232 N ILE A 17 -2.852 -1.140 4.271 1.00 0.00 N ATOM 233 CA ILE A 17 -1.673 -0.985 3.370 1.00 0.00 C ATOM 234 C ILE A 17 -1.430 0.494 3.061 1.00 0.00 C ATOM 235 O ILE A 17 -0.314 0.973 3.108 1.00 0.00 O ATOM 236 CB ILE A 17 -2.050 -1.741 2.097 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.176 -3.233 2.413 1.00 0.00 C ATOM 238 CG2 ILE A 17 -0.966 -1.533 1.039 1.00 0.00 C ATOM 239 CD1 ILE A 17 -3.092 -3.898 1.384 1.00 0.00 C ATOM 0 H ILE A 17 -3.678 -1.552 3.838 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.757 -1.368 3.820 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.001 -1.366 1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.193 -3.703 2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.579 -3.370 3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.235 -2.073 0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.875 -0.470 0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.014 -1.908 1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.181 -4.961 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.078 -3.435 1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.670 -3.773 0.387 1.00 0.00 H new ATOM 251 N CYS A 18 -2.466 1.224 2.747 1.00 0.00 N ATOM 252 CA CYS A 18 -2.291 2.672 2.439 1.00 0.00 C ATOM 253 C CYS A 18 -1.681 3.394 3.642 1.00 0.00 C ATOM 254 O CYS A 18 -0.801 4.221 3.503 1.00 0.00 O ATOM 255 CB CYS A 18 -3.701 3.194 2.161 1.00 0.00 C ATOM 256 SG CYS A 18 -4.432 2.263 0.793 1.00 0.00 S ATOM 0 H CYS A 18 -3.425 0.881 2.691 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.623 2.837 1.594 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.319 3.095 3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.665 4.255 1.914 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.976 1.175 1.251 1.00 0.00 H new ATOM 262 N HIS A 19 -2.144 3.086 4.820 1.00 0.00 N ATOM 263 CA HIS A 19 -1.596 3.750 6.038 1.00 0.00 C ATOM 264 C HIS A 19 -0.123 3.379 6.222 1.00 0.00 C ATOM 265 O HIS A 19 0.678 4.187 6.647 1.00 0.00 O ATOM 266 CB HIS A 19 -2.436 3.216 7.197 1.00 0.00 C ATOM 267 CG HIS A 19 -3.825 3.786 7.113 1.00 0.00 C ATOM 268 ND1 HIS A 19 -4.580 4.209 6.047 1.00 0.00 N flip ATOM 269 CD2 HIS A 19 -4.613 3.980 8.236 1.00 0.00 C flip ATOM 270 CE1 HIS A 19 -5.817 4.660 6.500 1.00 0.00 C flip ATOM 271 NE2 HIS A 19 -5.784 4.499 7.825 1.00 0.00 N flip ATOM 0 H HIS A 19 -2.880 2.402 4.994 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.644 4.837 5.973 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.475 2.127 7.160 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.977 3.487 8.148 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.337 3.755 9.256 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.629 5.055 5.907 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -6.553 4.740 8.450 1.00 0.00 H new ATOM 279 N GLN A 20 0.245 2.168 5.904 1.00 0.00 N ATOM 280 CA GLN A 20 1.671 1.771 6.066 1.00 0.00 C ATOM 281 C GLN A 20 2.539 2.628 5.146 1.00 0.00 C ATOM 282 O GLN A 20 3.520 3.208 5.567 1.00 0.00 O ATOM 283 CB GLN A 20 1.730 0.302 5.651 1.00 0.00 C ATOM 284 CG GLN A 20 1.616 -0.586 6.892 1.00 0.00 C ATOM 285 CD GLN A 20 2.706 -0.206 7.894 1.00 0.00 C ATOM 286 OE1 GLN A 20 3.879 -0.250 7.579 1.00 0.00 O ATOM 287 NE2 GLN A 20 2.368 0.168 9.098 1.00 0.00 N ATOM 0 H GLN A 20 -0.374 1.443 5.542 1.00 0.00 H new ATOM 0 HA GLN A 20 2.035 1.910 7.084 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.922 0.077 4.955 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.665 0.098 5.130 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.632 -0.469 7.347 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.715 -1.635 6.612 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.384 0.205 9.363 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.088 0.423 9.774 1.00 0.00 H new ATOM 296 N ILE A 21 2.167 2.744 3.900 1.00 0.00 N ATOM 297 CA ILE A 21 2.963 3.594 2.973 1.00 0.00 C ATOM 298 C ILE A 21 3.010 5.009 3.538 1.00 0.00 C ATOM 299 O ILE A 21 4.003 5.703 3.442 1.00 0.00 O ATOM 300 CB ILE A 21 2.207 3.563 1.646 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.147 2.124 1.127 1.00 0.00 C ATOM 302 CG2 ILE A 21 2.933 4.443 0.630 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.532 1.701 0.633 1.00 0.00 C ATOM 0 H ILE A 21 1.352 2.290 3.487 1.00 0.00 H new ATOM 0 HA ILE A 21 3.989 3.248 2.845 1.00 0.00 H new ATOM 0 HB ILE A 21 1.194 3.937 1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.812 1.454 1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.422 2.048 0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.396 4.423 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.976 5.467 1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.946 4.068 0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.489 0.676 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.849 2.364 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.245 1.761 1.455 1.00 0.00 H new ATOM 315 N GLU A 22 1.939 5.428 4.150 1.00 0.00 N ATOM 316 CA GLU A 22 1.900 6.785 4.755 1.00 0.00 C ATOM 317 C GLU A 22 2.952 6.882 5.863 1.00 0.00 C ATOM 318 O GLU A 22 3.544 7.916 6.087 1.00 0.00 O ATOM 319 CB GLU A 22 0.492 6.923 5.333 1.00 0.00 C ATOM 320 CG GLU A 22 -0.117 8.253 4.880 1.00 0.00 C ATOM 321 CD GLU A 22 -0.864 8.896 6.050 1.00 0.00 C ATOM 322 OE1 GLU A 22 -0.612 8.503 7.176 1.00 0.00 O ATOM 323 OE2 GLU A 22 -1.676 9.771 5.798 1.00 0.00 O ATOM 0 H GLU A 22 1.083 4.884 4.257 1.00 0.00 H new ATOM 0 HA GLU A 22 2.116 7.573 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.132 6.093 5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.528 6.879 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.667 8.921 4.523 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.799 8.088 4.046 1.00 0.00 H new ATOM 330 N TYR A 23 3.179 5.813 6.572 1.00 0.00 N ATOM 331 CA TYR A 23 4.184 5.854 7.672 1.00 0.00 C ATOM 332 C TYR A 23 5.578 6.216 7.136 1.00 0.00 C ATOM 333 O TYR A 23 6.271 7.026 7.719 1.00 0.00 O ATOM 334 CB TYR A 23 4.173 4.445 8.268 1.00 0.00 C ATOM 335 CG TYR A 23 5.485 4.175 8.965 1.00 0.00 C ATOM 336 CD1 TYR A 23 5.792 4.826 10.165 1.00 0.00 C ATOM 337 CD2 TYR A 23 6.395 3.274 8.405 1.00 0.00 C ATOM 338 CE1 TYR A 23 7.012 4.573 10.805 1.00 0.00 C ATOM 339 CE2 TYR A 23 7.614 3.019 9.043 1.00 0.00 C ATOM 340 CZ TYR A 23 7.923 3.669 10.244 1.00 0.00 C ATOM 341 OH TYR A 23 9.125 3.420 10.875 1.00 0.00 O ATOM 0 H TYR A 23 2.714 4.915 6.439 1.00 0.00 H new ATOM 0 HA TYR A 23 3.943 6.614 8.415 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.348 4.345 8.974 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.010 3.708 7.481 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.089 5.523 10.597 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.157 2.774 7.478 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.250 5.075 11.731 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.316 2.322 8.610 1.00 0.00 H new ATOM 0 HH TYR A 23 9.639 2.768 10.354 1.00 0.00 H new ATOM 351 N TYR A 24 6.009 5.633 6.042 1.00 0.00 N ATOM 352 CA TYR A 24 7.373 5.986 5.525 1.00 0.00 C ATOM 353 C TYR A 24 7.356 7.332 4.792 1.00 0.00 C ATOM 354 O TYR A 24 8.266 8.127 4.915 1.00 0.00 O ATOM 355 CB TYR A 24 7.788 4.896 4.527 1.00 0.00 C ATOM 356 CG TYR A 24 7.097 3.589 4.812 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.662 2.677 5.709 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.906 3.281 4.155 1.00 0.00 C ATOM 359 CE1 TYR A 24 7.028 1.453 5.950 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.270 2.063 4.397 1.00 0.00 C ATOM 361 CZ TYR A 24 5.829 1.146 5.294 1.00 0.00 C ATOM 362 OH TYR A 24 5.202 -0.060 5.530 1.00 0.00 O ATOM 0 H TYR A 24 5.492 4.945 5.495 1.00 0.00 H new ATOM 0 HA TYR A 24 8.067 6.058 6.362 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.550 5.220 3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.868 4.754 4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.586 2.917 6.215 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.476 3.986 3.459 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.463 0.746 6.641 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.345 1.828 3.891 1.00 0.00 H new ATOM 0 HH TYR A 24 4.538 0.050 6.242 1.00 0.00 H new ATOM 372 N PHE A 25 6.343 7.580 4.007 1.00 0.00 N ATOM 373 CA PHE A 25 6.299 8.867 3.241 1.00 0.00 C ATOM 374 C PHE A 25 5.231 9.822 3.786 1.00 0.00 C ATOM 375 O PHE A 25 5.305 11.017 3.586 1.00 0.00 O ATOM 376 CB PHE A 25 5.949 8.456 1.811 1.00 0.00 C ATOM 377 CG PHE A 25 7.204 8.065 1.067 1.00 0.00 C ATOM 378 CD1 PHE A 25 8.214 9.010 0.848 1.00 0.00 C ATOM 379 CD2 PHE A 25 7.355 6.757 0.592 1.00 0.00 C ATOM 380 CE1 PHE A 25 9.375 8.646 0.154 1.00 0.00 C ATOM 381 CE2 PHE A 25 8.514 6.393 -0.103 1.00 0.00 C ATOM 382 CZ PHE A 25 9.524 7.337 -0.321 1.00 0.00 C ATOM 0 H PHE A 25 5.549 6.956 3.861 1.00 0.00 H new ATOM 0 HA PHE A 25 7.247 9.401 3.314 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.249 7.621 1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.453 9.280 1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.098 10.019 1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.576 6.028 0.762 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.155 9.374 -0.015 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.629 5.384 -0.471 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.419 7.056 -0.856 1.00 0.00 H new ATOM 392 N GLY A 26 4.231 9.308 4.446 1.00 0.00 N ATOM 393 CA GLY A 26 3.151 10.191 4.979 1.00 0.00 C ATOM 394 C GLY A 26 3.741 11.533 5.409 1.00 0.00 C ATOM 395 O GLY A 26 3.299 12.581 4.983 1.00 0.00 O ATOM 0 H GLY A 26 4.113 8.314 4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.388 10.347 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.662 9.711 5.826 1.00 0.00 H new ATOM 399 N ASP A 27 4.737 11.505 6.250 1.00 0.00 N ATOM 400 CA ASP A 27 5.368 12.773 6.716 1.00 0.00 C ATOM 401 C ASP A 27 6.209 12.503 7.964 1.00 0.00 C ATOM 402 O ASP A 27 7.069 13.279 8.324 1.00 0.00 O ATOM 403 CB ASP A 27 4.201 13.709 7.050 1.00 0.00 C ATOM 404 CG ASP A 27 4.667 14.781 8.037 1.00 0.00 C ATOM 405 OD1 ASP A 27 5.332 15.707 7.605 1.00 0.00 O ATOM 406 OD2 ASP A 27 4.350 14.657 9.208 1.00 0.00 O ATOM 0 H ASP A 27 5.144 10.654 6.637 1.00 0.00 H new ATOM 0 HA ASP A 27 6.028 13.206 5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.826 14.177 6.140 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.377 13.140 7.479 1.00 0.00 H new ATOM 411 N PHE A 28 5.962 11.408 8.630 1.00 0.00 N ATOM 412 CA PHE A 28 6.748 11.091 9.858 1.00 0.00 C ATOM 413 C PHE A 28 8.103 10.490 9.486 1.00 0.00 C ATOM 414 O PHE A 28 9.125 10.846 10.039 1.00 0.00 O ATOM 415 CB PHE A 28 5.919 10.070 10.654 1.00 0.00 C ATOM 416 CG PHE A 28 4.505 10.006 10.126 1.00 0.00 C ATOM 417 CD1 PHE A 28 3.564 10.965 10.518 1.00 0.00 C ATOM 418 CD2 PHE A 28 4.138 8.985 9.243 1.00 0.00 C ATOM 419 CE1 PHE A 28 2.254 10.902 10.027 1.00 0.00 C ATOM 420 CE2 PHE A 28 2.830 8.921 8.751 1.00 0.00 C ATOM 421 CZ PHE A 28 1.887 9.880 9.143 1.00 0.00 C ATOM 0 H PHE A 28 5.252 10.720 8.378 1.00 0.00 H new ATOM 0 HA PHE A 28 6.939 11.991 10.442 1.00 0.00 H new ATOM 0 HB2 PHE A 28 6.383 9.086 10.587 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.907 10.346 11.708 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.848 11.754 11.199 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.865 8.246 8.941 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.527 11.641 10.330 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.547 8.133 8.069 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.877 9.831 8.763 1.00 0.00 H new ATOM 431 N ASN A 29 8.115 9.563 8.570 1.00 0.00 N ATOM 432 CA ASN A 29 9.401 8.916 8.179 1.00 0.00 C ATOM 433 C ASN A 29 10.233 9.807 7.247 1.00 0.00 C ATOM 434 O ASN A 29 11.444 9.773 7.270 1.00 0.00 O ATOM 435 CB ASN A 29 8.985 7.637 7.460 1.00 0.00 C ATOM 436 CG ASN A 29 8.853 6.501 8.475 1.00 0.00 C ATOM 437 OD1 ASN A 29 9.730 5.535 8.473 1.00 0.00 O flip ATOM 438 ND2 ASN A 29 7.943 6.492 9.280 1.00 0.00 N flip ATOM 0 H ASN A 29 7.290 9.224 8.074 1.00 0.00 H new ATOM 0 HA ASN A 29 10.032 8.729 9.048 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.037 7.789 6.944 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.723 7.377 6.701 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.257 7.247 9.282 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.865 5.730 9.953 1.00 0.00 H new ATOM 445 N LEU A 30 9.600 10.575 6.404 1.00 0.00 N ATOM 446 CA LEU A 30 10.366 11.429 5.441 1.00 0.00 C ATOM 447 C LEU A 30 11.329 12.388 6.159 1.00 0.00 C ATOM 448 O LEU A 30 12.447 12.576 5.721 1.00 0.00 O ATOM 449 CB LEU A 30 9.295 12.223 4.694 1.00 0.00 C ATOM 450 CG LEU A 30 8.934 11.501 3.396 1.00 0.00 C ATOM 451 CD1 LEU A 30 7.692 12.149 2.782 1.00 0.00 C ATOM 452 CD2 LEU A 30 10.103 11.605 2.415 1.00 0.00 C ATOM 0 H LEU A 30 8.585 10.651 6.337 1.00 0.00 H new ATOM 0 HA LEU A 30 10.987 10.821 4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.409 12.335 5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.659 13.227 4.475 1.00 0.00 H new ATOM 0 HG LEU A 30 8.729 10.451 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.433 11.635 1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.860 12.076 3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.896 13.198 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.847 11.091 1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.308 12.654 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.988 11.144 2.854 1.00 0.00 H new ATOM 464 N PRO A 31 10.864 12.974 7.224 1.00 0.00 N ATOM 465 CA PRO A 31 11.700 13.936 7.991 1.00 0.00 C ATOM 466 C PRO A 31 12.993 13.280 8.491 1.00 0.00 C ATOM 467 O PRO A 31 13.915 13.956 8.901 1.00 0.00 O ATOM 468 CB PRO A 31 10.813 14.339 9.168 1.00 0.00 C ATOM 469 CG PRO A 31 9.424 13.951 8.776 1.00 0.00 C ATOM 470 CD PRO A 31 9.536 12.806 7.808 1.00 0.00 C ATOM 0 HA PRO A 31 12.014 14.785 7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.119 13.830 10.082 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.881 15.410 9.362 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.845 13.658 9.652 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.905 14.793 8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.439 11.845 8.312 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.756 12.847 7.048 1.00 0.00 H new ATOM 478 N ARG A 32 13.074 11.978 8.471 1.00 0.00 N ATOM 479 CA ARG A 32 14.321 11.312 8.957 1.00 0.00 C ATOM 480 C ARG A 32 14.568 9.997 8.209 1.00 0.00 C ATOM 481 O ARG A 32 15.471 9.253 8.531 1.00 0.00 O ATOM 482 CB ARG A 32 14.069 11.043 10.441 1.00 0.00 C ATOM 483 CG ARG A 32 14.286 12.333 11.236 1.00 0.00 C ATOM 484 CD ARG A 32 14.777 11.988 12.644 1.00 0.00 C ATOM 485 NE ARG A 32 14.541 13.223 13.444 1.00 0.00 N ATOM 486 CZ ARG A 32 15.114 13.368 14.608 1.00 0.00 C ATOM 487 NH1 ARG A 32 15.895 12.431 15.074 1.00 0.00 N ATOM 488 NH2 ARG A 32 14.906 14.449 15.307 1.00 0.00 N ATOM 0 H ARG A 32 12.340 11.350 8.143 1.00 0.00 H new ATOM 0 HA ARG A 32 15.203 11.931 8.791 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.052 10.679 10.588 1.00 0.00 H new ATOM 0 HB3 ARG A 32 14.742 10.264 10.800 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.015 12.966 10.730 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.356 12.899 11.292 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.231 11.140 13.056 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.832 11.716 12.639 1.00 0.00 H new ATOM 0 HE ARG A 32 13.931 13.956 13.082 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.058 11.585 14.528 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.342 12.545 15.984 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.296 15.181 14.944 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.354 14.562 16.216 1.00 0.00 H new ATOM 502 N ASP A 33 13.750 9.682 7.244 1.00 0.00 N ATOM 503 CA ASP A 33 13.919 8.391 6.518 1.00 0.00 C ATOM 504 C ASP A 33 15.291 8.310 5.843 1.00 0.00 C ATOM 505 O ASP A 33 15.496 8.813 4.757 1.00 0.00 O ATOM 506 CB ASP A 33 12.815 8.402 5.461 1.00 0.00 C ATOM 507 CG ASP A 33 11.812 7.285 5.755 1.00 0.00 C ATOM 508 OD1 ASP A 33 12.019 6.567 6.720 1.00 0.00 O ATOM 509 OD2 ASP A 33 10.854 7.168 5.011 1.00 0.00 O ATOM 0 H ASP A 33 12.973 10.261 6.926 1.00 0.00 H new ATOM 0 HA ASP A 33 13.856 7.536 7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.309 9.368 5.459 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.246 8.266 4.469 1.00 0.00 H new ATOM 514 N LYS A 34 16.224 7.658 6.484 1.00 0.00 N ATOM 515 CA LYS A 34 17.587 7.510 5.893 1.00 0.00 C ATOM 516 C LYS A 34 17.563 6.468 4.777 1.00 0.00 C ATOM 517 O LYS A 34 18.113 6.662 3.711 1.00 0.00 O ATOM 518 CB LYS A 34 18.483 7.032 7.039 1.00 0.00 C ATOM 519 CG LYS A 34 18.073 7.720 8.341 1.00 0.00 C ATOM 520 CD LYS A 34 18.084 9.237 8.143 1.00 0.00 C ATOM 521 CE LYS A 34 17.965 9.932 9.500 1.00 0.00 C ATOM 522 NZ LYS A 34 18.756 11.186 9.360 1.00 0.00 N ATOM 0 H LYS A 34 16.100 7.219 7.396 1.00 0.00 H new ATOM 0 HA LYS A 34 17.946 8.445 5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.403 5.950 7.148 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.526 7.253 6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.079 7.389 8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.758 7.442 9.142 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.005 9.542 7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.259 9.536 7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.925 10.147 9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.357 9.305 10.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.722 11.719 10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.743 10.950 9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.355 11.766 8.595 1.00 0.00 H new ATOM 536 N PHE A 35 16.932 5.356 5.028 1.00 0.00 N ATOM 537 CA PHE A 35 16.872 4.279 3.995 1.00 0.00 C ATOM 538 C PHE A 35 15.970 4.706 2.833 1.00 0.00 C ATOM 539 O PHE A 35 16.298 4.511 1.680 1.00 0.00 O ATOM 540 CB PHE A 35 16.301 3.058 4.722 1.00 0.00 C ATOM 541 CG PHE A 35 14.793 3.139 4.767 1.00 0.00 C ATOM 542 CD1 PHE A 35 14.036 2.673 3.685 1.00 0.00 C ATOM 543 CD2 PHE A 35 14.153 3.674 5.891 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.639 2.743 3.729 1.00 0.00 C ATOM 545 CE2 PHE A 35 12.756 3.744 5.934 1.00 0.00 C ATOM 546 CZ PHE A 35 11.999 3.278 4.854 1.00 0.00 C ATOM 0 H PHE A 35 16.454 5.144 5.904 1.00 0.00 H new ATOM 0 HA PHE A 35 17.849 4.064 3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 35 16.609 2.145 4.213 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.701 3.008 5.735 1.00 0.00 H new ATOM 0 HD1 PHE A 35 14.530 2.260 2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.737 4.033 6.725 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.054 2.384 2.895 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.262 4.158 6.801 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.921 3.331 4.888 1.00 0.00 H new ATOM 556 N LEU A 36 14.845 5.301 3.120 1.00 0.00 N ATOM 557 CA LEU A 36 13.949 5.752 2.019 1.00 0.00 C ATOM 558 C LEU A 36 14.677 6.808 1.186 1.00 0.00 C ATOM 559 O LEU A 36 14.527 6.885 -0.016 1.00 0.00 O ATOM 560 CB LEU A 36 12.718 6.350 2.701 1.00 0.00 C ATOM 561 CG LEU A 36 11.491 5.489 2.381 1.00 0.00 C ATOM 562 CD1 LEU A 36 10.216 6.272 2.696 1.00 0.00 C ATOM 563 CD2 LEU A 36 11.500 5.108 0.896 1.00 0.00 C ATOM 0 H LEU A 36 14.509 5.493 4.064 1.00 0.00 H new ATOM 0 HA LEU A 36 13.665 4.939 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.872 6.397 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.559 7.372 2.357 1.00 0.00 H new ATOM 0 HG LEU A 36 11.521 4.584 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.346 5.657 2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.204 6.539 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.188 7.179 2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.626 4.496 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.475 6.012 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.405 4.544 0.670 1.00 0.00 H new ATOM 575 N LYS A 37 15.488 7.602 1.827 1.00 0.00 N ATOM 576 CA LYS A 37 16.262 8.639 1.088 1.00 0.00 C ATOM 577 C LYS A 37 17.164 7.950 0.067 1.00 0.00 C ATOM 578 O LYS A 37 17.456 8.475 -0.988 1.00 0.00 O ATOM 579 CB LYS A 37 17.108 9.331 2.153 1.00 0.00 C ATOM 580 CG LYS A 37 17.334 10.788 1.757 1.00 0.00 C ATOM 581 CD LYS A 37 16.025 11.563 1.905 1.00 0.00 C ATOM 582 CE LYS A 37 15.943 12.639 0.820 1.00 0.00 C ATOM 583 NZ LYS A 37 14.749 12.273 0.007 1.00 0.00 N ATOM 0 H LYS A 37 15.649 7.578 2.834 1.00 0.00 H new ATOM 0 HA LYS A 37 15.626 9.345 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.608 9.279 3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.065 8.820 2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 37 18.105 11.232 2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.689 10.846 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.177 10.884 1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.972 12.022 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.835 13.632 1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.846 12.655 0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.244 13.137 -0.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.053 11.755 -0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.116 11.672 0.572 1.00 0.00 H new ATOM 597 N GLU A 38 17.591 6.764 0.388 1.00 0.00 N ATOM 598 CA GLU A 38 18.466 5.999 -0.545 1.00 0.00 C ATOM 599 C GLU A 38 17.653 5.537 -1.758 1.00 0.00 C ATOM 600 O GLU A 38 18.054 5.714 -2.891 1.00 0.00 O ATOM 601 CB GLU A 38 18.959 4.799 0.264 1.00 0.00 C ATOM 602 CG GLU A 38 20.364 5.083 0.799 1.00 0.00 C ATOM 603 CD GLU A 38 21.398 4.744 -0.275 1.00 0.00 C ATOM 604 OE1 GLU A 38 21.017 4.648 -1.430 1.00 0.00 O ATOM 605 OE2 GLU A 38 22.556 4.587 0.076 1.00 0.00 O ATOM 0 H GLU A 38 17.371 6.286 1.262 1.00 0.00 H new ATOM 0 HA GLU A 38 19.295 6.597 -0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.277 4.600 1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.971 3.906 -0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.451 6.131 1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 38 20.549 4.492 1.696 1.00 0.00 H new ATOM 612 N GLN A 39 16.508 4.952 -1.527 1.00 0.00 N ATOM 613 CA GLN A 39 15.665 4.486 -2.667 1.00 0.00 C ATOM 614 C GLN A 39 15.088 5.688 -3.417 1.00 0.00 C ATOM 615 O GLN A 39 15.155 5.771 -4.627 1.00 0.00 O ATOM 616 CB GLN A 39 14.545 3.669 -2.024 1.00 0.00 C ATOM 617 CG GLN A 39 13.930 2.735 -3.068 1.00 0.00 C ATOM 618 CD GLN A 39 14.959 1.681 -3.481 1.00 0.00 C ATOM 619 OE1 GLN A 39 15.724 1.141 -2.571 1.00 0.00 O flip ATOM 620 NE2 GLN A 39 15.067 1.344 -4.643 1.00 0.00 N flip ATOM 0 H GLN A 39 16.120 4.777 -0.600 1.00 0.00 H new ATOM 0 HA GLN A 39 16.232 3.900 -3.390 1.00 0.00 H new ATOM 0 HB2 GLN A 39 14.937 3.089 -1.188 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.781 4.334 -1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.042 2.251 -2.660 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.610 3.307 -3.939 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.469 1.766 -5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.755 0.639 -4.908 1.00 0.00 H new ATOM 629 N ILE A 40 14.527 6.622 -2.702 1.00 0.00 N ATOM 630 CA ILE A 40 13.949 7.822 -3.370 1.00 0.00 C ATOM 631 C ILE A 40 15.055 8.585 -4.107 1.00 0.00 C ATOM 632 O ILE A 40 14.853 9.105 -5.186 1.00 0.00 O ATOM 633 CB ILE A 40 13.366 8.669 -2.239 1.00 0.00 C ATOM 634 CG1 ILE A 40 12.550 9.820 -2.833 1.00 0.00 C ATOM 635 CG2 ILE A 40 14.500 9.239 -1.388 1.00 0.00 C ATOM 636 CD1 ILE A 40 11.109 9.361 -3.061 1.00 0.00 C ATOM 0 H ILE A 40 14.443 6.607 -1.686 1.00 0.00 H new ATOM 0 HA ILE A 40 13.189 7.565 -4.108 1.00 0.00 H new ATOM 0 HB ILE A 40 12.723 8.047 -1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.567 10.677 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.992 10.145 -3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.082 9.843 -0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.083 8.421 -0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.145 9.860 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.529 10.181 -3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.101 8.517 -3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.669 9.057 -2.111 1.00 0.00 H new ATOM 648 N LYS A 41 16.224 8.654 -3.529 1.00 0.00 N ATOM 649 CA LYS A 41 17.345 9.381 -4.193 1.00 0.00 C ATOM 650 C LYS A 41 17.964 8.517 -5.297 1.00 0.00 C ATOM 651 O LYS A 41 18.524 9.021 -6.250 1.00 0.00 O ATOM 652 CB LYS A 41 18.362 9.638 -3.081 1.00 0.00 C ATOM 653 CG LYS A 41 19.541 10.438 -3.641 1.00 0.00 C ATOM 654 CD LYS A 41 20.413 10.935 -2.487 1.00 0.00 C ATOM 655 CE LYS A 41 21.728 11.489 -3.041 1.00 0.00 C ATOM 656 NZ LYS A 41 22.774 11.021 -2.090 1.00 0.00 N ATOM 0 H LYS A 41 16.451 8.238 -2.626 1.00 0.00 H new ATOM 0 HA LYS A 41 17.012 10.305 -4.666 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.893 10.186 -2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.714 8.692 -2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.130 9.815 -4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.176 11.283 -4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.887 11.709 -1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.614 10.120 -1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.918 11.121 -4.049 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.705 12.577 -3.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 23.705 11.362 -2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 22.571 11.393 -1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 22.777 9.981 -2.062 1.00 0.00 H new ATOM 670 N LEU A 42 17.869 7.219 -5.178 1.00 0.00 N ATOM 671 CA LEU A 42 18.454 6.334 -6.228 1.00 0.00 C ATOM 672 C LEU A 42 17.989 6.789 -7.614 1.00 0.00 C ATOM 673 O LEU A 42 18.684 7.507 -8.307 1.00 0.00 O ATOM 674 CB LEU A 42 17.926 4.933 -5.911 1.00 0.00 C ATOM 675 CG LEU A 42 19.104 3.989 -5.660 1.00 0.00 C ATOM 676 CD1 LEU A 42 19.525 4.073 -4.192 1.00 0.00 C ATOM 677 CD2 LEU A 42 18.683 2.555 -5.987 1.00 0.00 C ATOM 0 H LEU A 42 17.414 6.735 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 42 19.544 6.361 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 42 17.279 4.966 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.321 4.565 -6.739 1.00 0.00 H new ATOM 0 HG LEU A 42 19.942 4.278 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 42 20.364 3.400 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.823 5.095 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.688 3.784 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 42 19.520 1.880 -5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 42 17.845 2.268 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 42 18.383 2.493 -7.033 1.00 0.00 H new ATOM 689 N ASP A 43 16.815 6.389 -8.021 1.00 0.00 N ATOM 690 CA ASP A 43 16.305 6.813 -9.357 1.00 0.00 C ATOM 691 C ASP A 43 15.721 8.223 -9.255 1.00 0.00 C ATOM 692 O ASP A 43 16.360 9.132 -8.762 1.00 0.00 O ATOM 693 CB ASP A 43 15.218 5.797 -9.707 1.00 0.00 C ATOM 694 CG ASP A 43 14.967 5.816 -11.216 1.00 0.00 C ATOM 695 OD1 ASP A 43 14.430 6.801 -11.695 1.00 0.00 O ATOM 696 OD2 ASP A 43 15.317 4.845 -11.867 1.00 0.00 O ATOM 0 H ASP A 43 16.187 5.788 -7.487 1.00 0.00 H new ATOM 0 HA ASP A 43 17.085 6.841 -10.118 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.523 4.799 -9.391 1.00 0.00 H new ATOM 0 HB3 ASP A 43 14.298 6.034 -9.172 1.00 0.00 H new ATOM 701 N GLU A 44 14.508 8.419 -9.700 1.00 0.00 N ATOM 702 CA GLU A 44 13.896 9.774 -9.603 1.00 0.00 C ATOM 703 C GLU A 44 12.996 9.842 -8.367 1.00 0.00 C ATOM 704 O GLU A 44 12.271 10.794 -8.163 1.00 0.00 O ATOM 705 CB GLU A 44 13.069 9.930 -10.881 1.00 0.00 C ATOM 706 CG GLU A 44 13.012 11.407 -11.277 1.00 0.00 C ATOM 707 CD GLU A 44 12.372 11.540 -12.660 1.00 0.00 C ATOM 708 OE1 GLU A 44 11.315 10.964 -12.860 1.00 0.00 O ATOM 709 OE2 GLU A 44 12.949 12.216 -13.496 1.00 0.00 O ATOM 0 H GLU A 44 13.918 7.703 -10.124 1.00 0.00 H new ATOM 0 HA GLU A 44 14.640 10.565 -9.507 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.511 9.344 -11.686 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.061 9.546 -10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.436 11.969 -10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.016 11.831 -11.287 1.00 0.00 H new ATOM 716 N GLY A 45 13.039 8.829 -7.542 1.00 0.00 N ATOM 717 CA GLY A 45 12.189 8.822 -6.319 1.00 0.00 C ATOM 718 C GLY A 45 11.203 7.656 -6.392 1.00 0.00 C ATOM 719 O GLY A 45 10.604 7.273 -5.406 1.00 0.00 O ATOM 0 H GLY A 45 13.628 8.005 -7.664 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.813 8.730 -5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.649 9.765 -6.233 1.00 0.00 H new ATOM 723 N TRP A 46 11.022 7.094 -7.556 1.00 0.00 N ATOM 724 CA TRP A 46 10.065 5.959 -7.696 1.00 0.00 C ATOM 725 C TRP A 46 10.568 4.718 -6.951 1.00 0.00 C ATOM 726 O TRP A 46 11.611 4.173 -7.253 1.00 0.00 O ATOM 727 CB TRP A 46 9.987 5.687 -9.197 1.00 0.00 C ATOM 728 CG TRP A 46 9.135 6.730 -9.845 1.00 0.00 C ATOM 729 CD1 TRP A 46 9.551 7.584 -10.808 1.00 0.00 C ATOM 730 CD2 TRP A 46 7.734 7.044 -9.596 1.00 0.00 C ATOM 731 NE1 TRP A 46 8.496 8.402 -11.166 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.355 8.109 -10.448 1.00 0.00 C ATOM 733 CE3 TRP A 46 6.763 6.516 -8.723 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.061 8.631 -10.434 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.460 7.039 -8.707 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.109 8.094 -9.562 1.00 0.00 C ATOM 0 H TRP A 46 11.495 7.371 -8.416 1.00 0.00 H new ATOM 0 HA TRP A 46 9.091 6.199 -7.269 1.00 0.00 H new ATOM 0 HB2 TRP A 46 10.986 5.696 -9.632 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.569 4.696 -9.377 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.545 7.621 -11.228 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.554 9.133 -11.875 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.023 5.703 -8.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.796 9.445 -11.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.724 6.627 -8.033 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.105 8.491 -9.547 1.00 0.00 H new ATOM 747 N VAL A 47 9.814 4.267 -5.990 1.00 0.00 N ATOM 748 CA VAL A 47 10.217 3.053 -5.225 1.00 0.00 C ATOM 749 C VAL A 47 9.297 1.888 -5.592 1.00 0.00 C ATOM 750 O VAL A 47 8.116 2.073 -5.801 1.00 0.00 O ATOM 751 CB VAL A 47 10.049 3.423 -3.750 1.00 0.00 C ATOM 752 CG1 VAL A 47 10.199 2.167 -2.883 1.00 0.00 C ATOM 753 CG2 VAL A 47 11.123 4.440 -3.356 1.00 0.00 C ATOM 0 H VAL A 47 8.932 4.688 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 47 11.240 2.746 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 47 9.060 3.854 -3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 47 10.079 2.433 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.437 1.439 -3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.188 1.735 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.005 4.705 -2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.110 4.005 -3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.019 5.335 -3.970 1.00 0.00 H new ATOM 763 N PRO A 48 9.869 0.721 -5.660 1.00 0.00 N ATOM 764 CA PRO A 48 9.101 -0.482 -5.999 1.00 0.00 C ATOM 765 C PRO A 48 8.553 -1.109 -4.719 1.00 0.00 C ATOM 766 O PRO A 48 9.194 -1.102 -3.687 1.00 0.00 O ATOM 767 CB PRO A 48 10.139 -1.387 -6.653 1.00 0.00 C ATOM 768 CG PRO A 48 11.475 -0.903 -6.160 1.00 0.00 C ATOM 769 CD PRO A 48 11.268 0.401 -5.426 1.00 0.00 C ATOM 0 HA PRO A 48 8.245 -0.296 -6.647 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.976 -2.430 -6.380 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.079 -1.329 -7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.926 -1.643 -5.499 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.160 -0.763 -6.996 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.481 0.298 -4.362 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.925 1.182 -5.808 1.00 0.00 H new ATOM 777 N LEU A 49 7.370 -1.634 -4.775 1.00 0.00 N ATOM 778 CA LEU A 49 6.766 -2.245 -3.557 1.00 0.00 C ATOM 779 C LEU A 49 7.635 -3.394 -3.031 1.00 0.00 C ATOM 780 O LEU A 49 7.314 -4.007 -2.036 1.00 0.00 O ATOM 781 CB LEU A 49 5.405 -2.774 -4.012 1.00 0.00 C ATOM 782 CG LEU A 49 4.509 -1.601 -4.410 1.00 0.00 C ATOM 783 CD1 LEU A 49 3.991 -1.814 -5.833 1.00 0.00 C ATOM 784 CD2 LEU A 49 3.323 -1.517 -3.444 1.00 0.00 C ATOM 0 H LEU A 49 6.788 -1.669 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 49 6.680 -1.524 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.530 -3.452 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.939 -3.346 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 49 5.082 -0.675 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.352 -0.978 -6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.834 -1.877 -6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.417 -2.740 -5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.683 -0.681 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.751 -2.444 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.690 -1.366 -2.429 1.00 0.00 H new ATOM 796 N GLU A 50 8.740 -3.680 -3.666 1.00 0.00 N ATOM 797 CA GLU A 50 9.607 -4.778 -3.158 1.00 0.00 C ATOM 798 C GLU A 50 10.122 -4.403 -1.772 1.00 0.00 C ATOM 799 O GLU A 50 10.087 -5.186 -0.844 1.00 0.00 O ATOM 800 CB GLU A 50 10.761 -4.894 -4.155 1.00 0.00 C ATOM 801 CG GLU A 50 11.621 -3.631 -4.115 1.00 0.00 C ATOM 802 CD GLU A 50 12.709 -3.723 -5.186 1.00 0.00 C ATOM 803 OE1 GLU A 50 12.388 -4.108 -6.298 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.847 -3.409 -4.875 1.00 0.00 O ATOM 0 H GLU A 50 9.076 -3.206 -4.505 1.00 0.00 H new ATOM 0 HA GLU A 50 9.075 -5.725 -3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.371 -5.766 -3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.369 -5.044 -5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.002 -2.750 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.074 -3.517 -3.130 1.00 0.00 H new ATOM 811 N ILE A 51 10.582 -3.197 -1.632 1.00 0.00 N ATOM 812 CA ILE A 51 11.087 -2.733 -0.310 1.00 0.00 C ATOM 813 C ILE A 51 9.929 -2.674 0.689 1.00 0.00 C ATOM 814 O ILE A 51 10.083 -2.971 1.856 1.00 0.00 O ATOM 815 CB ILE A 51 11.637 -1.330 -0.565 1.00 0.00 C ATOM 816 CG1 ILE A 51 12.808 -1.413 -1.545 1.00 0.00 C ATOM 817 CG2 ILE A 51 12.121 -0.725 0.755 1.00 0.00 C ATOM 818 CD1 ILE A 51 13.141 -0.012 -2.060 1.00 0.00 C ATOM 0 H ILE A 51 10.632 -2.505 -2.380 1.00 0.00 H new ATOM 0 HA ILE A 51 11.845 -3.398 0.104 1.00 0.00 H new ATOM 0 HB ILE A 51 10.852 -0.703 -0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 51 13.678 -1.848 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.553 -2.068 -2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.514 0.276 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.288 -0.667 1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.907 -1.352 1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.976 -0.070 -2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.271 0.405 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.414 0.629 -1.221 1.00 0.00 H new ATOM 830 N MET A 52 8.767 -2.304 0.226 1.00 0.00 N ATOM 831 CA MET A 52 7.589 -2.237 1.136 1.00 0.00 C ATOM 832 C MET A 52 7.032 -3.644 1.386 1.00 0.00 C ATOM 833 O MET A 52 6.698 -4.002 2.498 1.00 0.00 O ATOM 834 CB MET A 52 6.567 -1.371 0.399 1.00 0.00 C ATOM 835 CG MET A 52 6.601 0.051 0.965 1.00 0.00 C ATOM 836 SD MET A 52 8.312 0.642 1.016 1.00 0.00 S ATOM 837 CE MET A 52 8.045 2.029 2.149 1.00 0.00 C ATOM 0 H MET A 52 8.582 -2.045 -0.743 1.00 0.00 H new ATOM 0 HA MET A 52 7.842 -1.822 2.111 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.790 -1.355 -0.668 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.569 -1.794 0.510 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.995 0.714 0.348 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.170 0.065 1.966 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.922 2.677 2.144 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.172 2.598 1.829 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.881 1.649 3.157 1.00 0.00 H new ATOM 847 N ILE A 53 6.920 -4.439 0.355 1.00 0.00 N ATOM 848 CA ILE A 53 6.371 -5.819 0.525 1.00 0.00 C ATOM 849 C ILE A 53 7.391 -6.726 1.221 1.00 0.00 C ATOM 850 O ILE A 53 7.148 -7.898 1.422 1.00 0.00 O ATOM 851 CB ILE A 53 6.075 -6.311 -0.898 1.00 0.00 C ATOM 852 CG1 ILE A 53 4.570 -6.211 -1.168 1.00 0.00 C ATOM 853 CG2 ILE A 53 6.521 -7.767 -1.061 1.00 0.00 C ATOM 854 CD1 ILE A 53 4.040 -4.876 -0.639 1.00 0.00 C ATOM 0 H ILE A 53 7.185 -4.193 -0.599 1.00 0.00 H new ATOM 0 HA ILE A 53 5.477 -5.830 1.149 1.00 0.00 H new ATOM 0 HB ILE A 53 6.623 -5.690 -1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.376 -6.292 -2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.048 -7.038 -0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.305 -8.102 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.592 -7.842 -0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.984 -8.394 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.969 -4.807 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.220 -4.813 0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.553 -4.056 -1.142 1.00 0.00 H new ATOM 866 N LYS A 54 8.525 -6.205 1.599 1.00 0.00 N ATOM 867 CA LYS A 54 9.535 -7.057 2.287 1.00 0.00 C ATOM 868 C LYS A 54 9.837 -6.478 3.671 1.00 0.00 C ATOM 869 O LYS A 54 10.227 -7.183 4.580 1.00 0.00 O ATOM 870 CB LYS A 54 10.776 -7.003 1.396 1.00 0.00 C ATOM 871 CG LYS A 54 11.914 -7.784 2.055 1.00 0.00 C ATOM 872 CD LYS A 54 13.241 -7.068 1.799 1.00 0.00 C ATOM 873 CE LYS A 54 14.049 -7.008 3.098 1.00 0.00 C ATOM 874 NZ LYS A 54 15.360 -6.417 2.709 1.00 0.00 N ATOM 0 H LYS A 54 8.795 -5.231 1.462 1.00 0.00 H new ATOM 0 HA LYS A 54 9.191 -8.081 2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.551 -7.425 0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.077 -5.968 1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.736 -7.871 3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.953 -8.797 1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.807 -7.594 1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.057 -6.060 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.547 -6.396 3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.176 -8.001 3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.970 -6.344 3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.818 -7.024 2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.208 -5.470 2.307 1.00 0.00 H new ATOM 888 N PHE A 55 9.652 -5.196 3.835 1.00 0.00 N ATOM 889 CA PHE A 55 9.920 -4.567 5.159 1.00 0.00 C ATOM 890 C PHE A 55 8.877 -5.035 6.178 1.00 0.00 C ATOM 891 O PHE A 55 7.694 -5.057 5.902 1.00 0.00 O ATOM 892 CB PHE A 55 9.792 -3.060 4.914 1.00 0.00 C ATOM 893 CG PHE A 55 11.167 -2.436 4.838 1.00 0.00 C ATOM 894 CD1 PHE A 55 12.183 -2.869 5.699 1.00 0.00 C ATOM 895 CD2 PHE A 55 11.426 -1.424 3.905 1.00 0.00 C ATOM 896 CE1 PHE A 55 13.455 -2.291 5.628 1.00 0.00 C ATOM 897 CE2 PHE A 55 12.699 -0.845 3.834 1.00 0.00 C ATOM 898 CZ PHE A 55 13.713 -1.279 4.695 1.00 0.00 C ATOM 0 H PHE A 55 9.327 -4.557 3.109 1.00 0.00 H new ATOM 0 HA PHE A 55 10.900 -4.832 5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.248 -2.878 3.987 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.217 -2.599 5.717 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.984 -3.650 6.418 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.643 -1.090 3.240 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.238 -2.625 6.293 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.898 -0.064 3.115 1.00 0.00 H new ATOM 0 HZ PHE A 55 14.695 -0.833 4.640 1.00 0.00 H new ATOM 908 N ASN A 56 9.304 -5.411 7.351 1.00 0.00 N ATOM 909 CA ASN A 56 8.333 -5.876 8.381 1.00 0.00 C ATOM 910 C ASN A 56 7.276 -4.797 8.636 1.00 0.00 C ATOM 911 O ASN A 56 6.194 -5.074 9.113 1.00 0.00 O ATOM 912 CB ASN A 56 9.171 -6.114 9.638 1.00 0.00 C ATOM 913 CG ASN A 56 9.942 -7.428 9.497 1.00 0.00 C ATOM 914 OD1 ASN A 56 11.142 -7.425 9.305 1.00 0.00 O ATOM 915 ND2 ASN A 56 9.298 -8.561 9.584 1.00 0.00 N ATOM 0 H ASN A 56 10.282 -5.417 7.641 1.00 0.00 H new ATOM 0 HA ASN A 56 7.801 -6.775 8.071 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.865 -5.287 9.787 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.526 -6.151 10.516 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.802 -9.443 9.491 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.291 -8.564 9.745 1.00 0.00 H new ATOM 922 N ARG A 57 7.586 -3.570 8.322 1.00 0.00 N ATOM 923 CA ARG A 57 6.603 -2.471 8.545 1.00 0.00 C ATOM 924 C ARG A 57 5.345 -2.697 7.702 1.00 0.00 C ATOM 925 O ARG A 57 4.237 -2.504 8.160 1.00 0.00 O ATOM 926 CB ARG A 57 7.327 -1.199 8.099 1.00 0.00 C ATOM 927 CG ARG A 57 8.605 -1.023 8.923 1.00 0.00 C ATOM 928 CD ARG A 57 9.794 -0.811 7.982 1.00 0.00 C ATOM 929 NE ARG A 57 10.977 -1.296 8.746 1.00 0.00 N ATOM 930 CZ ARG A 57 11.461 -0.580 9.725 1.00 0.00 C ATOM 931 NH1 ARG A 57 10.909 0.562 10.036 1.00 0.00 N ATOM 932 NH2 ARG A 57 12.498 -1.006 10.394 1.00 0.00 N ATOM 0 H ARG A 57 8.478 -3.280 7.920 1.00 0.00 H new ATOM 0 HA ARG A 57 6.277 -2.415 9.584 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.571 -1.260 7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.677 -0.334 8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.503 -0.171 9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.773 -1.902 9.546 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.668 -1.368 7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.902 0.239 7.711 1.00 0.00 H new ATOM 0 HE ARG A 57 11.409 -2.188 8.504 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.099 0.896 9.514 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.288 1.120 10.801 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.930 -1.898 10.152 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.876 -0.447 11.159 1.00 0.00 H new ATOM 946 N LEU A 58 5.505 -3.098 6.469 1.00 0.00 N ATOM 947 CA LEU A 58 4.315 -3.328 5.600 1.00 0.00 C ATOM 948 C LEU A 58 4.097 -4.827 5.374 1.00 0.00 C ATOM 949 O LEU A 58 2.978 -5.295 5.295 1.00 0.00 O ATOM 950 CB LEU A 58 4.646 -2.633 4.280 1.00 0.00 C ATOM 951 CG LEU A 58 3.375 -2.017 3.694 1.00 0.00 C ATOM 952 CD1 LEU A 58 3.751 -0.911 2.708 1.00 0.00 C ATOM 953 CD2 LEU A 58 2.576 -3.098 2.964 1.00 0.00 C ATOM 0 H LEU A 58 6.407 -3.276 6.027 1.00 0.00 H new ATOM 0 HA LEU A 58 3.401 -2.940 6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.396 -1.859 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.073 -3.348 3.577 1.00 0.00 H new ATOM 0 HG LEU A 58 2.771 -1.597 4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.845 -0.472 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.322 -0.140 3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.355 -1.331 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.670 -2.660 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.181 -3.517 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.307 -3.888 3.665 1.00 0.00 H new ATOM 965 N ASN A 59 5.155 -5.581 5.264 1.00 0.00 N ATOM 966 CA ASN A 59 5.003 -7.047 5.037 1.00 0.00 C ATOM 967 C ASN A 59 4.136 -7.668 6.136 1.00 0.00 C ATOM 968 O ASN A 59 3.556 -8.721 5.960 1.00 0.00 O ATOM 969 CB ASN A 59 6.424 -7.607 5.091 1.00 0.00 C ATOM 970 CG ASN A 59 6.369 -9.126 5.263 1.00 0.00 C ATOM 971 OD1 ASN A 59 5.414 -9.802 4.684 1.00 0.00 O flip ATOM 972 ND2 ASN A 59 7.204 -9.704 5.930 1.00 0.00 N flip ATOM 0 H ASN A 59 6.117 -5.247 5.321 1.00 0.00 H new ATOM 0 HA ASN A 59 4.515 -7.268 4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.961 -7.353 4.177 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.972 -7.157 5.918 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.950 -9.176 6.382 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.159 -10.717 6.037 1.00 0.00 H new ATOM 979 N ARG A 60 4.042 -7.024 7.268 1.00 0.00 N ATOM 980 CA ARG A 60 3.210 -7.582 8.372 1.00 0.00 C ATOM 981 C ARG A 60 1.753 -7.719 7.920 1.00 0.00 C ATOM 982 O ARG A 60 1.120 -8.734 8.134 1.00 0.00 O ATOM 983 CB ARG A 60 3.327 -6.568 9.511 1.00 0.00 C ATOM 984 CG ARG A 60 3.625 -7.301 10.819 1.00 0.00 C ATOM 985 CD ARG A 60 4.317 -6.346 11.794 1.00 0.00 C ATOM 986 NE ARG A 60 3.218 -5.519 12.363 1.00 0.00 N ATOM 987 CZ ARG A 60 3.497 -4.466 13.083 1.00 0.00 C ATOM 988 NH1 ARG A 60 4.741 -4.135 13.304 1.00 0.00 N ATOM 989 NH2 ARG A 60 2.531 -3.743 13.581 1.00 0.00 N ATOM 0 H ARG A 60 4.504 -6.139 7.476 1.00 0.00 H new ATOM 0 HA ARG A 60 3.542 -8.575 8.677 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.120 -5.852 9.294 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.401 -6.000 9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.700 -7.677 11.256 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.261 -8.165 10.627 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.845 -6.893 12.575 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.055 -5.726 11.284 1.00 0.00 H new ATOM 0 HE ARG A 60 2.246 -5.775 12.190 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.496 -4.699 12.914 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.958 -3.312 13.867 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.559 -4.001 13.408 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.748 -2.920 14.144 1.00 0.00 H new ATOM 1003 N LEU A 61 1.216 -6.707 7.294 1.00 0.00 N ATOM 1004 CA LEU A 61 -0.199 -6.785 6.828 1.00 0.00 C ATOM 1005 C LEU A 61 -0.290 -7.647 5.564 1.00 0.00 C ATOM 1006 O LEU A 61 -0.378 -8.857 5.633 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.600 -5.339 6.520 1.00 0.00 C ATOM 1008 CG LEU A 61 -0.739 -4.550 7.824 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -1.520 -5.377 8.848 1.00 0.00 C ATOM 1010 CD2 LEU A 61 0.652 -4.236 8.379 1.00 0.00 C ATOM 0 H LEU A 61 1.695 -5.831 7.085 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.854 -7.238 7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.149 -4.873 5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.542 -5.322 5.972 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.274 -3.621 7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.617 -4.812 9.775 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.512 -5.601 8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.989 -6.308 9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.555 -3.674 9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.185 -5.167 8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.208 -3.643 7.653 1.00 0.00 H new ATOM 1022 N THR A 62 -0.267 -7.035 4.411 1.00 0.00 N ATOM 1023 CA THR A 62 -0.349 -7.821 3.147 1.00 0.00 C ATOM 1024 C THR A 62 0.888 -7.560 2.284 1.00 0.00 C ATOM 1025 O THR A 62 1.535 -6.539 2.406 1.00 0.00 O ATOM 1026 CB THR A 62 -1.611 -7.314 2.446 1.00 0.00 C ATOM 1027 OG1 THR A 62 -2.749 -7.628 3.235 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.737 -7.981 1.075 1.00 0.00 C ATOM 0 H THR A 62 -0.195 -6.025 4.290 1.00 0.00 H new ATOM 0 HA THR A 62 -0.389 -8.895 3.329 1.00 0.00 H new ATOM 0 HB THR A 62 -1.546 -6.234 2.317 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.213 -6.801 3.483 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.636 -7.620 0.576 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.863 -7.737 0.470 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.801 -9.062 1.201 1.00 0.00 H new ATOM 1036 N THR A 63 1.223 -8.474 1.415 1.00 0.00 N ATOM 1037 CA THR A 63 2.420 -8.270 0.551 1.00 0.00 C ATOM 1038 C THR A 63 2.060 -8.498 -0.920 1.00 0.00 C ATOM 1039 O THR A 63 2.897 -8.401 -1.795 1.00 0.00 O ATOM 1040 CB THR A 63 3.438 -9.310 1.022 1.00 0.00 C ATOM 1041 OG1 THR A 63 2.875 -10.082 2.073 1.00 0.00 O ATOM 1042 CG2 THR A 63 4.696 -8.600 1.525 1.00 0.00 C ATOM 0 H THR A 63 0.722 -9.350 1.266 1.00 0.00 H new ATOM 0 HA THR A 63 2.812 -7.256 0.628 1.00 0.00 H new ATOM 0 HB THR A 63 3.699 -9.966 0.191 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.526 -10.750 2.374 1.00 0.00 H new ATOM 0 HG21 THR A 63 5.422 -9.340 1.861 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.128 -8.009 0.717 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.436 -7.944 2.356 1.00 0.00 H new ATOM 1050 N ASP A 64 0.822 -8.798 -1.200 1.00 0.00 N ATOM 1051 CA ASP A 64 0.415 -9.026 -2.617 1.00 0.00 C ATOM 1052 C ASP A 64 0.537 -7.721 -3.411 1.00 0.00 C ATOM 1053 O ASP A 64 -0.328 -6.869 -3.358 1.00 0.00 O ATOM 1054 CB ASP A 64 -1.043 -9.482 -2.543 1.00 0.00 C ATOM 1055 CG ASP A 64 -1.196 -10.527 -1.436 1.00 0.00 C ATOM 1056 OD1 ASP A 64 -0.464 -11.503 -1.465 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -2.042 -10.335 -0.579 1.00 0.00 O ATOM 0 H ASP A 64 0.076 -8.895 -0.512 1.00 0.00 H new ATOM 0 HA ASP A 64 1.042 -9.763 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.692 -8.629 -2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.353 -9.902 -3.500 1.00 0.00 H new ATOM 1062 N PHE A 65 1.610 -7.560 -4.137 1.00 0.00 N ATOM 1063 CA PHE A 65 1.805 -6.312 -4.932 1.00 0.00 C ATOM 1064 C PHE A 65 0.470 -5.808 -5.491 1.00 0.00 C ATOM 1065 O PHE A 65 0.229 -4.621 -5.565 1.00 0.00 O ATOM 1066 CB PHE A 65 2.740 -6.713 -6.072 1.00 0.00 C ATOM 1067 CG PHE A 65 4.154 -6.307 -5.731 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.717 -6.694 -4.510 1.00 0.00 C ATOM 1069 CD2 PHE A 65 4.901 -5.545 -6.637 1.00 0.00 C ATOM 1070 CE1 PHE A 65 6.029 -6.319 -4.194 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.212 -5.170 -6.321 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.776 -5.556 -5.100 1.00 0.00 C ATOM 0 H PHE A 65 2.364 -8.242 -4.214 1.00 0.00 H new ATOM 0 HA PHE A 65 2.214 -5.504 -4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.689 -7.789 -6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.426 -6.234 -6.999 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.140 -7.282 -3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.466 -5.247 -7.579 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.464 -6.618 -3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.789 -4.582 -7.020 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.787 -5.266 -4.856 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.395 -6.700 -5.889 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.708 -6.264 -6.446 1.00 0.00 C ATOM 1084 C ASN A 66 -2.600 -5.695 -5.339 1.00 0.00 C ATOM 1085 O ASN A 66 -3.284 -4.708 -5.525 1.00 0.00 O ATOM 1086 CB ASN A 66 -2.329 -7.532 -7.032 1.00 0.00 C ATOM 1087 CG ASN A 66 -2.281 -8.652 -5.991 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -1.755 -8.470 -4.912 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -2.813 -9.810 -6.271 1.00 0.00 N ATOM 0 H ASN A 66 -0.251 -7.709 -5.853 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.594 -5.478 -7.193 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.360 -7.341 -7.329 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.789 -7.832 -7.930 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.787 -10.563 -5.583 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.255 -9.962 -7.178 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.604 -6.313 -4.189 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.460 -5.812 -3.075 1.00 0.00 C ATOM 1098 C VAL A 67 -2.914 -4.492 -2.520 1.00 0.00 C ATOM 1099 O VAL A 67 -3.654 -3.558 -2.281 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.399 -6.905 -2.008 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -4.237 -6.485 -0.799 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -3.954 -8.210 -2.583 1.00 0.00 C ATOM 0 H VAL A 67 -2.052 -7.143 -3.973 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.480 -5.613 -3.404 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.364 -7.054 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.194 -7.264 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.843 -5.555 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.272 -6.336 -1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.911 -8.990 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.989 -8.061 -2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.358 -8.510 -3.445 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.630 -4.406 -2.302 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.054 -3.143 -1.751 1.00 0.00 C ATOM 1114 C ILE A 68 -1.253 -1.993 -2.730 1.00 0.00 C ATOM 1115 O ILE A 68 -1.705 -0.925 -2.372 1.00 0.00 O ATOM 1116 CB ILE A 68 0.436 -3.430 -1.618 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.674 -4.391 -0.459 1.00 0.00 C ATOM 1118 CG2 ILE A 68 1.185 -2.122 -1.381 1.00 0.00 C ATOM 1119 CD1 ILE A 68 0.860 -5.793 -1.029 1.00 0.00 C ATOM 0 H ILE A 68 -0.956 -5.151 -2.480 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.524 -2.859 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 68 0.803 -3.890 -2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.556 -4.092 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.170 -4.370 0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.252 -2.326 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.018 -1.449 -2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.821 -1.655 -0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.032 -6.497 -0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.036 -6.084 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.717 -5.801 -1.703 1.00 0.00 H new ATOM 1131 N VAL A 69 -0.915 -2.210 -3.965 1.00 0.00 N ATOM 1132 CA VAL A 69 -1.070 -1.140 -4.987 1.00 0.00 C ATOM 1133 C VAL A 69 -2.550 -0.801 -5.174 1.00 0.00 C ATOM 1134 O VAL A 69 -2.928 0.353 -5.236 1.00 0.00 O ATOM 1135 CB VAL A 69 -0.482 -1.735 -6.265 1.00 0.00 C ATOM 1136 CG1 VAL A 69 0.954 -2.195 -5.997 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -1.326 -2.934 -6.703 1.00 0.00 C ATOM 0 H VAL A 69 -0.535 -3.089 -4.315 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.571 -0.214 -4.703 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.483 -0.981 -7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.376 -2.620 -6.908 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.556 -1.343 -5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.953 -2.950 -5.211 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.908 -3.360 -7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.323 -3.688 -5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.350 -2.609 -6.890 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.393 -1.793 -5.253 1.00 0.00 N ATOM 1148 CA GLU A 70 -4.846 -1.518 -5.424 1.00 0.00 C ATOM 1149 C GLU A 70 -5.347 -0.675 -4.251 1.00 0.00 C ATOM 1150 O GLU A 70 -6.228 0.150 -4.395 1.00 0.00 O ATOM 1151 CB GLU A 70 -5.513 -2.895 -5.426 1.00 0.00 C ATOM 1152 CG GLU A 70 -7.033 -2.727 -5.375 1.00 0.00 C ATOM 1153 CD GLU A 70 -7.551 -3.184 -4.011 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -7.189 -2.565 -3.023 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -8.302 -4.144 -3.976 1.00 0.00 O ATOM 0 H GLU A 70 -3.139 -2.780 -5.207 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.066 -0.965 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.228 -3.448 -6.321 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.172 -3.477 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.300 -1.684 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.501 -3.311 -6.168 1.00 0.00 H new ATOM 1162 N ALA A 71 -4.786 -0.875 -3.090 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.220 -0.087 -1.904 1.00 0.00 C ATOM 1164 C ALA A 71 -4.807 1.381 -2.068 1.00 0.00 C ATOM 1165 O ALA A 71 -5.587 2.283 -1.833 1.00 0.00 O ATOM 1166 CB ALA A 71 -4.497 -0.727 -0.717 1.00 0.00 C ATOM 0 H ALA A 71 -4.044 -1.552 -2.912 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.302 -0.097 -1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.765 -0.201 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.790 -1.774 -0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.420 -0.663 -0.870 1.00 0.00 H new ATOM 1172 N LEU A 72 -3.591 1.626 -2.475 1.00 0.00 N ATOM 1173 CA LEU A 72 -3.139 3.037 -2.659 1.00 0.00 C ATOM 1174 C LEU A 72 -3.850 3.657 -3.863 1.00 0.00 C ATOM 1175 O LEU A 72 -4.061 4.853 -3.926 1.00 0.00 O ATOM 1176 CB LEU A 72 -1.631 2.960 -2.916 1.00 0.00 C ATOM 1177 CG LEU A 72 -0.996 1.907 -2.005 1.00 0.00 C ATOM 1178 CD1 LEU A 72 0.493 2.213 -1.836 1.00 0.00 C ATOM 1179 CD2 LEU A 72 -1.676 1.928 -0.633 1.00 0.00 C ATOM 0 H LEU A 72 -2.892 0.914 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.366 3.654 -1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.444 2.709 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.173 3.933 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.121 0.922 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.947 1.464 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.981 2.193 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.613 3.200 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.220 1.176 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.556 2.913 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.738 1.710 -0.750 1.00 0.00 H new ATOM 1191 N SER A 73 -4.217 2.853 -4.823 1.00 0.00 N ATOM 1192 CA SER A 73 -4.910 3.394 -6.025 1.00 0.00 C ATOM 1193 C SER A 73 -6.099 4.259 -5.605 1.00 0.00 C ATOM 1194 O SER A 73 -6.584 5.074 -6.364 1.00 0.00 O ATOM 1195 CB SER A 73 -5.387 2.164 -6.795 1.00 0.00 C ATOM 1196 OG SER A 73 -6.715 2.383 -7.255 1.00 0.00 O ATOM 0 H SER A 73 -4.067 1.844 -4.826 1.00 0.00 H new ATOM 0 HA SER A 73 -4.257 4.024 -6.629 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.725 1.970 -7.639 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.353 1.283 -6.154 1.00 0.00 H new ATOM 0 HG SER A 73 -7.023 1.596 -7.751 1.00 0.00 H new ATOM 1202 N LYS A 74 -6.573 4.093 -4.399 1.00 0.00 N ATOM 1203 CA LYS A 74 -7.728 4.915 -3.941 1.00 0.00 C ATOM 1204 C LYS A 74 -7.277 5.908 -2.865 1.00 0.00 C ATOM 1205 O LYS A 74 -7.927 6.905 -2.620 1.00 0.00 O ATOM 1206 CB LYS A 74 -8.719 3.910 -3.355 1.00 0.00 C ATOM 1207 CG LYS A 74 -10.098 4.124 -3.984 1.00 0.00 C ATOM 1208 CD LYS A 74 -11.070 4.640 -2.921 1.00 0.00 C ATOM 1209 CE LYS A 74 -10.961 6.164 -2.826 1.00 0.00 C ATOM 1210 NZ LYS A 74 -12.320 6.623 -2.427 1.00 0.00 N ATOM 0 H LYS A 74 -6.212 3.427 -3.715 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.166 5.499 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.376 2.893 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.779 4.031 -2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.028 4.838 -4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.466 3.189 -4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.090 4.353 -3.176 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.843 4.188 -1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.213 6.461 -2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.662 6.599 -3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.325 7.659 -2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.010 6.332 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.575 6.199 -1.512 1.00 0.00 H new ATOM 1224 N SER A 75 -6.182 5.635 -2.208 1.00 0.00 N ATOM 1225 CA SER A 75 -5.701 6.549 -1.132 1.00 0.00 C ATOM 1226 C SER A 75 -5.513 7.975 -1.655 1.00 0.00 C ATOM 1227 O SER A 75 -5.322 8.204 -2.833 1.00 0.00 O ATOM 1228 CB SER A 75 -4.360 5.964 -0.692 1.00 0.00 C ATOM 1229 OG SER A 75 -3.438 6.040 -1.771 1.00 0.00 O ATOM 0 H SER A 75 -5.598 4.815 -2.371 1.00 0.00 H new ATOM 0 HA SER A 75 -6.417 6.617 -0.313 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.976 6.512 0.169 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.487 4.928 -0.380 1.00 0.00 H new ATOM 0 HG SER A 75 -3.880 5.760 -2.600 1.00 0.00 H new ATOM 1235 N LYS A 76 -5.560 8.931 -0.769 1.00 0.00 N ATOM 1236 CA LYS A 76 -5.380 10.353 -1.178 1.00 0.00 C ATOM 1237 C LYS A 76 -4.531 11.091 -0.139 1.00 0.00 C ATOM 1238 O LYS A 76 -4.992 12.006 0.515 1.00 0.00 O ATOM 1239 CB LYS A 76 -6.793 10.933 -1.226 1.00 0.00 C ATOM 1240 CG LYS A 76 -7.471 10.739 0.133 1.00 0.00 C ATOM 1241 CD LYS A 76 -8.923 11.211 0.052 1.00 0.00 C ATOM 1242 CE LYS A 76 -9.319 11.875 1.373 1.00 0.00 C ATOM 1243 NZ LYS A 76 -9.074 13.329 1.162 1.00 0.00 N ATOM 0 H LYS A 76 -5.717 8.787 0.229 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.869 10.449 -2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.754 11.993 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.373 10.442 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.435 9.689 0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.938 11.300 0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.042 11.915 -0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.580 10.366 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.364 11.682 1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.724 11.491 2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.323 13.852 2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.070 13.483 0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.659 13.668 0.372 1.00 0.00 H new ATOM 1257 N ALA A 77 -3.294 10.702 0.020 1.00 0.00 N ATOM 1258 CA ALA A 77 -2.421 11.384 1.021 1.00 0.00 C ATOM 1259 C ALA A 77 -1.738 12.585 0.392 1.00 0.00 C ATOM 1260 O ALA A 77 -0.793 13.136 0.920 1.00 0.00 O ATOM 1261 CB ALA A 77 -1.402 10.336 1.469 1.00 0.00 C ATOM 0 H ALA A 77 -2.851 9.944 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.991 11.761 1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.729 10.774 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.923 9.488 1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.826 9.998 0.608 1.00 0.00 H new ATOM 1267 N GLU A 78 -2.231 12.986 -0.725 1.00 0.00 N ATOM 1268 CA GLU A 78 -1.659 14.161 -1.440 1.00 0.00 C ATOM 1269 C GLU A 78 -0.131 14.105 -1.455 1.00 0.00 C ATOM 1270 O GLU A 78 0.470 13.664 -2.413 1.00 0.00 O ATOM 1271 CB GLU A 78 -2.146 15.380 -0.655 1.00 0.00 C ATOM 1272 CG GLU A 78 -1.533 16.650 -1.250 1.00 0.00 C ATOM 1273 CD GLU A 78 -1.450 17.732 -0.172 1.00 0.00 C ATOM 1274 OE1 GLU A 78 -1.477 17.380 0.995 1.00 0.00 O ATOM 1275 OE2 GLU A 78 -1.361 18.894 -0.532 1.00 0.00 O ATOM 0 H GLU A 78 -3.024 12.547 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.974 14.191 -2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.234 15.438 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.866 15.286 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.539 16.437 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.138 17.001 -2.086 1.00 0.00 H new ATOM 1282 N LEU A 79 0.495 14.560 -0.403 1.00 0.00 N ATOM 1283 CA LEU A 79 1.986 14.549 -0.342 1.00 0.00 C ATOM 1284 C LEU A 79 2.561 13.478 -1.275 1.00 0.00 C ATOM 1285 O LEU A 79 3.183 13.781 -2.273 1.00 0.00 O ATOM 1286 CB LEU A 79 2.317 14.225 1.117 1.00 0.00 C ATOM 1287 CG LEU A 79 3.828 14.034 1.282 1.00 0.00 C ATOM 1288 CD1 LEU A 79 4.207 12.601 0.901 1.00 0.00 C ATOM 1289 CD2 LEU A 79 4.576 15.015 0.375 1.00 0.00 C ATOM 0 H LEU A 79 0.034 14.942 0.423 1.00 0.00 H new ATOM 0 HA LEU A 79 2.415 15.499 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.971 15.031 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.792 13.321 1.425 1.00 0.00 H new ATOM 0 HG LEU A 79 4.102 14.221 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.282 12.466 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.680 11.901 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.929 12.415 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.650 14.875 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.301 14.832 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.310 16.037 0.646 1.00 0.00 H new ATOM 1301 N MET A 80 2.376 12.231 -0.945 1.00 0.00 N ATOM 1302 CA MET A 80 2.933 11.142 -1.800 1.00 0.00 C ATOM 1303 C MET A 80 2.140 11.007 -3.104 1.00 0.00 C ATOM 1304 O MET A 80 1.087 11.590 -3.271 1.00 0.00 O ATOM 1305 CB MET A 80 2.796 9.873 -0.959 1.00 0.00 C ATOM 1306 CG MET A 80 2.970 8.644 -1.853 1.00 0.00 C ATOM 1307 SD MET A 80 2.942 7.148 -0.835 1.00 0.00 S ATOM 1308 CE MET A 80 4.637 6.613 -1.173 1.00 0.00 C ATOM 0 H MET A 80 1.864 11.917 -0.121 1.00 0.00 H new ATOM 0 HA MET A 80 3.966 11.341 -2.087 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.544 9.867 -0.166 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.819 9.848 -0.476 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.173 8.606 -2.596 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.912 8.708 -2.398 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.882 5.760 -0.540 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.726 6.325 -2.221 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.326 7.431 -0.962 1.00 0.00 H new ATOM 1318 N GLU A 81 2.647 10.233 -4.025 1.00 0.00 N ATOM 1319 CA GLU A 81 1.940 10.041 -5.324 1.00 0.00 C ATOM 1320 C GLU A 81 2.344 8.698 -5.937 1.00 0.00 C ATOM 1321 O GLU A 81 3.494 8.474 -6.258 1.00 0.00 O ATOM 1322 CB GLU A 81 2.410 11.198 -6.206 1.00 0.00 C ATOM 1323 CG GLU A 81 3.939 11.213 -6.254 1.00 0.00 C ATOM 1324 CD GLU A 81 4.420 12.539 -6.847 1.00 0.00 C ATOM 1325 OE1 GLU A 81 3.593 13.417 -7.033 1.00 0.00 O ATOM 1326 OE2 GLU A 81 5.606 12.655 -7.105 1.00 0.00 O ATOM 0 H GLU A 81 3.525 9.723 -3.933 1.00 0.00 H new ATOM 0 HA GLU A 81 0.856 10.033 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.005 11.090 -7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.038 12.144 -5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.346 11.082 -5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.302 10.380 -6.856 1.00 0.00 H new ATOM 1333 N ILE A 82 1.411 7.799 -6.098 1.00 0.00 N ATOM 1334 CA ILE A 82 1.753 6.470 -6.684 1.00 0.00 C ATOM 1335 C ILE A 82 1.646 6.513 -8.209 1.00 0.00 C ATOM 1336 O ILE A 82 0.753 7.123 -8.763 1.00 0.00 O ATOM 1337 CB ILE A 82 0.721 5.504 -6.105 1.00 0.00 C ATOM 1338 CG1 ILE A 82 0.667 5.666 -4.584 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.119 4.069 -6.452 1.00 0.00 C ATOM 1340 CD1 ILE A 82 -0.487 6.597 -4.211 1.00 0.00 C ATOM 0 H ILE A 82 0.430 7.926 -5.850 1.00 0.00 H new ATOM 0 HA ILE A 82 2.774 6.170 -6.448 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.260 5.722 -6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.533 4.694 -4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.609 6.073 -4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.384 3.378 -6.040 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.158 3.954 -7.535 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.099 3.851 -6.029 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.526 6.713 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.333 7.571 -4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.426 6.172 -4.564 1.00 0.00 H new ATOM 1352 N SER A 83 2.549 5.865 -8.893 1.00 0.00 N ATOM 1353 CA SER A 83 2.499 5.863 -10.383 1.00 0.00 C ATOM 1354 C SER A 83 1.198 5.216 -10.865 1.00 0.00 C ATOM 1355 O SER A 83 0.441 4.670 -10.088 1.00 0.00 O ATOM 1356 CB SER A 83 3.705 5.034 -10.819 1.00 0.00 C ATOM 1357 OG SER A 83 3.299 3.687 -11.022 1.00 0.00 O ATOM 0 H SER A 83 3.320 5.337 -8.484 1.00 0.00 H new ATOM 0 HA SER A 83 2.527 6.870 -10.800 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.128 5.441 -11.737 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.486 5.080 -10.060 1.00 0.00 H new ATOM 0 HG SER A 83 2.938 3.325 -10.186 1.00 0.00 H new ATOM 1363 N GLU A 84 0.933 5.275 -12.140 1.00 0.00 N ATOM 1364 CA GLU A 84 -0.320 4.664 -12.671 1.00 0.00 C ATOM 1365 C GLU A 84 -0.125 3.162 -12.903 1.00 0.00 C ATOM 1366 O GLU A 84 -1.073 2.430 -13.103 1.00 0.00 O ATOM 1367 CB GLU A 84 -0.581 5.381 -13.996 1.00 0.00 C ATOM 1368 CG GLU A 84 -0.933 6.845 -13.723 1.00 0.00 C ATOM 1369 CD GLU A 84 -2.426 6.961 -13.411 1.00 0.00 C ATOM 1370 OE1 GLU A 84 -3.016 5.956 -13.048 1.00 0.00 O ATOM 1371 OE2 GLU A 84 -2.955 8.053 -13.539 1.00 0.00 O ATOM 0 H GLU A 84 1.529 5.720 -12.838 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.154 4.771 -11.978 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.301 5.321 -14.634 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.396 4.894 -14.531 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.345 7.221 -12.886 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.683 7.458 -14.589 1.00 0.00 H new ATOM 1378 N ASP A 85 1.094 2.699 -12.883 1.00 0.00 N ATOM 1379 CA ASP A 85 1.340 1.245 -13.109 1.00 0.00 C ATOM 1380 C ASP A 85 0.886 0.431 -11.894 1.00 0.00 C ATOM 1381 O ASP A 85 0.783 -0.779 -11.950 1.00 0.00 O ATOM 1382 CB ASP A 85 2.852 1.125 -13.300 1.00 0.00 C ATOM 1383 CG ASP A 85 3.179 -0.226 -13.940 1.00 0.00 C ATOM 1384 OD1 ASP A 85 2.312 -1.084 -13.943 1.00 0.00 O ATOM 1385 OD2 ASP A 85 4.293 -0.380 -14.414 1.00 0.00 O ATOM 0 H ASP A 85 1.929 3.262 -12.721 1.00 0.00 H new ATOM 0 HA ASP A 85 0.787 0.863 -13.968 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.215 1.936 -13.931 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.359 1.217 -12.340 1.00 0.00 H new ATOM 1390 N LYS A 86 0.612 1.083 -10.797 1.00 0.00 N ATOM 1391 CA LYS A 86 0.164 0.342 -9.582 1.00 0.00 C ATOM 1392 C LYS A 86 1.235 -0.660 -9.143 1.00 0.00 C ATOM 1393 O LYS A 86 0.935 -1.761 -8.727 1.00 0.00 O ATOM 1394 CB LYS A 86 -1.109 -0.389 -10.013 1.00 0.00 C ATOM 1395 CG LYS A 86 -2.032 0.584 -10.750 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.443 -0.003 -10.820 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.563 -0.897 -12.056 1.00 0.00 C ATOM 1398 NZ LYS A 86 -4.859 -0.516 -12.681 1.00 0.00 N ATOM 0 H LYS A 86 0.679 2.095 -10.689 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.011 1.006 -8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.857 -1.229 -10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.618 -0.800 -9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.052 1.544 -10.234 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.654 0.770 -11.755 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.654 -0.580 -9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.180 0.799 -10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.731 -0.736 -12.742 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.551 -1.952 -11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.013 -1.087 -13.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.633 -0.686 -12.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.838 0.492 -12.937 1.00 0.00 H new ATOM 1412 N THR A 87 2.484 -0.289 -9.230 1.00 0.00 N ATOM 1413 CA THR A 87 3.570 -1.222 -8.815 1.00 0.00 C ATOM 1414 C THR A 87 4.779 -0.433 -8.305 1.00 0.00 C ATOM 1415 O THR A 87 5.882 -0.938 -8.239 1.00 0.00 O ATOM 1416 CB THR A 87 3.933 -2.000 -10.082 1.00 0.00 C ATOM 1417 OG1 THR A 87 4.726 -3.125 -9.734 1.00 0.00 O ATOM 1418 CG2 THR A 87 4.716 -1.094 -11.033 1.00 0.00 C ATOM 0 H THR A 87 2.799 0.620 -9.570 1.00 0.00 H new ATOM 0 HA THR A 87 3.258 -1.884 -8.007 1.00 0.00 H new ATOM 0 HB THR A 87 3.021 -2.337 -10.575 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.462 -2.839 -9.154 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.974 -1.649 -11.935 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.105 -0.232 -11.300 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.628 -0.754 -10.543 1.00 0.00 H new ATOM 1426 N LYS A 88 4.579 0.806 -7.945 1.00 0.00 N ATOM 1427 CA LYS A 88 5.714 1.632 -7.442 1.00 0.00 C ATOM 1428 C LYS A 88 5.180 2.838 -6.661 1.00 0.00 C ATOM 1429 O LYS A 88 4.067 3.277 -6.866 1.00 0.00 O ATOM 1430 CB LYS A 88 6.468 2.084 -8.694 1.00 0.00 C ATOM 1431 CG LYS A 88 5.653 3.144 -9.437 1.00 0.00 C ATOM 1432 CD LYS A 88 6.571 3.917 -10.386 1.00 0.00 C ATOM 1433 CE LYS A 88 6.453 3.338 -11.797 1.00 0.00 C ATOM 1434 NZ LYS A 88 7.328 2.134 -11.793 1.00 0.00 N ATOM 0 H LYS A 88 3.678 1.282 -7.978 1.00 0.00 H new ATOM 0 HA LYS A 88 6.362 1.077 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.441 2.489 -8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.652 1.231 -9.347 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.846 2.672 -9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.189 3.827 -8.725 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.300 4.973 -10.391 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.603 3.855 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.421 3.075 -12.031 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.777 4.059 -12.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.916 2.129 -12.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.941 2.153 -10.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.739 1.277 -11.772 1.00 0.00 H new ATOM 1448 N ILE A 89 5.967 3.377 -5.773 1.00 0.00 N ATOM 1449 CA ILE A 89 5.510 4.556 -4.983 1.00 0.00 C ATOM 1450 C ILE A 89 6.595 5.634 -4.991 1.00 0.00 C ATOM 1451 O ILE A 89 7.772 5.339 -4.968 1.00 0.00 O ATOM 1452 CB ILE A 89 5.292 4.019 -3.570 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.641 3.623 -2.963 1.00 0.00 C ATOM 1454 CG2 ILE A 89 4.382 2.791 -3.632 1.00 0.00 C ATOM 1455 CD1 ILE A 89 6.415 2.941 -1.614 1.00 0.00 C ATOM 0 H ILE A 89 6.910 3.052 -5.559 1.00 0.00 H new ATOM 0 HA ILE A 89 4.605 5.010 -5.387 1.00 0.00 H new ATOM 0 HB ILE A 89 4.827 4.788 -2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 89 7.172 2.951 -3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.267 4.506 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.224 2.404 -2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.423 3.070 -4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.850 2.022 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 89 7.376 2.660 -1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.902 3.628 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.805 2.049 -1.755 1.00 0.00 H new ATOM 1467 N ARG A 90 6.214 6.880 -5.033 1.00 0.00 N ATOM 1468 CA ARG A 90 7.241 7.961 -5.054 1.00 0.00 C ATOM 1469 C ARG A 90 6.792 9.154 -4.207 1.00 0.00 C ATOM 1470 O ARG A 90 5.618 9.360 -3.974 1.00 0.00 O ATOM 1471 CB ARG A 90 7.352 8.361 -6.528 1.00 0.00 C ATOM 1472 CG ARG A 90 7.916 9.779 -6.641 1.00 0.00 C ATOM 1473 CD ARG A 90 8.661 9.929 -7.970 1.00 0.00 C ATOM 1474 NE ARG A 90 7.720 10.670 -8.856 1.00 0.00 N ATOM 1475 CZ ARG A 90 8.139 11.165 -9.989 1.00 0.00 C ATOM 1476 NH1 ARG A 90 9.385 11.009 -10.350 1.00 0.00 N ATOM 1477 NH2 ARG A 90 7.313 11.814 -10.762 1.00 0.00 N ATOM 0 H ARG A 90 5.244 7.196 -5.054 1.00 0.00 H new ATOM 0 HA ARG A 90 8.194 7.630 -4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.998 7.660 -7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.372 8.311 -7.002 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.109 10.509 -6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.591 9.981 -5.809 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.595 10.476 -7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.917 8.957 -8.391 1.00 0.00 H new ATOM 0 HE ARG A 90 6.746 10.791 -8.577 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.031 10.500 -9.746 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.712 11.396 -11.235 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.340 11.935 -10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.640 12.201 -11.647 1.00 0.00 H new ATOM 1491 N ARG A 91 7.725 9.951 -3.765 1.00 0.00 N ATOM 1492 CA ARG A 91 7.371 11.147 -2.953 1.00 0.00 C ATOM 1493 C ARG A 91 7.403 12.385 -3.851 1.00 0.00 C ATOM 1494 O ARG A 91 8.303 12.555 -4.646 1.00 0.00 O ATOM 1495 CB ARG A 91 8.452 11.230 -1.872 1.00 0.00 C ATOM 1496 CG ARG A 91 8.585 12.677 -1.387 1.00 0.00 C ATOM 1497 CD ARG A 91 9.419 12.714 -0.106 1.00 0.00 C ATOM 1498 NE ARG A 91 10.020 14.076 -0.078 1.00 0.00 N ATOM 1499 CZ ARG A 91 10.912 14.417 -0.970 1.00 0.00 C ATOM 1500 NH1 ARG A 91 11.278 13.565 -1.888 1.00 0.00 N ATOM 1501 NH2 ARG A 91 11.438 15.611 -0.942 1.00 0.00 N ATOM 0 H ARG A 91 8.723 9.824 -3.933 1.00 0.00 H new ATOM 0 HA ARG A 91 6.376 11.085 -2.513 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.196 10.578 -1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.405 10.880 -2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.056 13.288 -2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.598 13.102 -1.203 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.800 12.537 0.774 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.189 11.943 -0.114 1.00 0.00 H new ATOM 0 HE ARG A 91 9.735 14.744 0.638 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.868 12.631 -1.910 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.974 13.833 -2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.153 16.277 -0.224 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.134 15.878 -1.638 1.00 0.00 H new ATOM 1515 N SER A 92 6.431 13.245 -3.743 1.00 0.00 N ATOM 1516 CA SER A 92 6.422 14.457 -4.605 1.00 0.00 C ATOM 1517 C SER A 92 7.609 15.357 -4.262 1.00 0.00 C ATOM 1518 O SER A 92 7.622 16.002 -3.233 1.00 0.00 O ATOM 1519 CB SER A 92 5.104 15.162 -4.287 1.00 0.00 C ATOM 1520 OG SER A 92 4.021 14.350 -4.720 1.00 0.00 O ATOM 0 H SER A 92 5.645 13.162 -3.098 1.00 0.00 H new ATOM 0 HA SER A 92 6.506 14.211 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.028 15.349 -3.216 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.068 16.132 -4.784 1.00 0.00 H new ATOM 0 HG SER A 92 3.626 13.893 -3.948 1.00 0.00 H new ATOM 1526 N PRO A 93 8.569 15.376 -5.148 1.00 0.00 N ATOM 1527 CA PRO A 93 9.773 16.216 -4.941 1.00 0.00 C ATOM 1528 C PRO A 93 9.358 17.682 -4.930 1.00 0.00 C ATOM 1529 O PRO A 93 10.037 18.536 -4.395 1.00 0.00 O ATOM 1530 CB PRO A 93 10.651 15.908 -6.155 1.00 0.00 C ATOM 1531 CG PRO A 93 9.718 15.330 -7.171 1.00 0.00 C ATOM 1532 CD PRO A 93 8.623 14.637 -6.411 1.00 0.00 C ATOM 0 HA PRO A 93 10.290 16.019 -4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.135 16.809 -6.531 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.443 15.204 -5.901 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.309 16.113 -7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.241 14.629 -7.821 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.673 14.682 -6.944 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.850 13.583 -6.251 1.00 0.00 H new ATOM 1540 N SER A 94 8.233 17.971 -5.520 1.00 0.00 N ATOM 1541 CA SER A 94 7.738 19.370 -5.557 1.00 0.00 C ATOM 1542 C SER A 94 6.891 19.653 -4.319 1.00 0.00 C ATOM 1543 O SER A 94 6.333 20.722 -4.169 1.00 0.00 O ATOM 1544 CB SER A 94 6.878 19.443 -6.812 1.00 0.00 C ATOM 1545 OG SER A 94 7.653 19.050 -7.938 1.00 0.00 O ATOM 0 H SER A 94 7.631 17.290 -5.982 1.00 0.00 H new ATOM 0 HA SER A 94 8.547 20.100 -5.569 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.009 18.793 -6.709 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.503 20.457 -6.951 1.00 0.00 H new ATOM 0 HG SER A 94 7.101 19.095 -8.747 1.00 0.00 H new ATOM 1551 N LYS A 95 6.807 18.715 -3.413 1.00 0.00 N ATOM 1552 CA LYS A 95 6.017 18.946 -2.171 1.00 0.00 C ATOM 1553 C LYS A 95 6.943 18.835 -0.955 1.00 0.00 C ATOM 1554 O LYS A 95 7.612 17.837 -0.779 1.00 0.00 O ATOM 1555 CB LYS A 95 4.966 17.834 -2.152 1.00 0.00 C ATOM 1556 CG LYS A 95 3.586 18.440 -1.889 1.00 0.00 C ATOM 1557 CD LYS A 95 2.839 18.601 -3.213 1.00 0.00 C ATOM 1558 CE LYS A 95 1.705 17.576 -3.289 1.00 0.00 C ATOM 1559 NZ LYS A 95 1.451 17.390 -4.745 1.00 0.00 N ATOM 0 H LYS A 95 7.252 17.799 -3.480 1.00 0.00 H new ATOM 0 HA LYS A 95 5.554 19.932 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.966 17.303 -3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.208 17.104 -1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.018 17.799 -1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.690 19.407 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.437 19.611 -3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.525 18.462 -4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.989 16.637 -2.815 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.813 17.935 -2.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.685 16.700 -4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.176 18.299 -5.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.315 17.041 -5.206 1.00 0.00 H new ATOM 1573 N PRO A 96 6.961 19.868 -0.157 1.00 0.00 N ATOM 1574 CA PRO A 96 7.826 19.878 1.046 1.00 0.00 C ATOM 1575 C PRO A 96 7.369 18.831 2.060 1.00 0.00 C ATOM 1576 O PRO A 96 6.198 18.537 2.190 1.00 0.00 O ATOM 1577 CB PRO A 96 7.665 21.275 1.621 1.00 0.00 C ATOM 1578 CG PRO A 96 6.401 21.813 1.021 1.00 0.00 C ATOM 1579 CD PRO A 96 6.189 21.104 -0.294 1.00 0.00 C ATOM 0 HA PRO A 96 8.862 19.640 0.805 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.602 21.247 2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.518 21.904 1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.557 21.644 1.689 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.476 22.890 0.869 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.133 20.898 -0.471 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.542 21.704 -1.133 1.00 0.00 H new ATOM 1587 N LEU A 97 8.294 18.292 2.801 1.00 0.00 N ATOM 1588 CA LEU A 97 7.938 17.291 3.838 1.00 0.00 C ATOM 1589 C LEU A 97 8.438 17.785 5.190 1.00 0.00 C ATOM 1590 O LEU A 97 9.615 17.983 5.402 1.00 0.00 O ATOM 1591 CB LEU A 97 8.560 15.951 3.405 1.00 0.00 C ATOM 1592 CG LEU A 97 9.905 15.669 4.093 1.00 0.00 C ATOM 1593 CD1 LEU A 97 10.879 16.828 3.867 1.00 0.00 C ATOM 1594 CD2 LEU A 97 9.689 15.448 5.595 1.00 0.00 C ATOM 0 H LEU A 97 9.289 18.505 2.731 1.00 0.00 H new ATOM 0 HA LEU A 97 6.862 17.149 3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.865 15.143 3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.703 15.954 2.324 1.00 0.00 H new ATOM 0 HG LEU A 97 10.335 14.767 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 97 11.825 16.610 4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 97 11.050 16.957 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 97 10.457 17.744 4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.647 15.249 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.242 16.340 6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.024 14.598 5.746 1.00 0.00 H new ATOM 1606 N PRO A 98 7.501 18.018 6.042 1.00 0.00 N ATOM 1607 CA PRO A 98 7.789 18.550 7.379 1.00 0.00 C ATOM 1608 C PRO A 98 7.961 17.433 8.408 1.00 0.00 C ATOM 1609 O PRO A 98 7.474 16.333 8.241 1.00 0.00 O ATOM 1610 CB PRO A 98 6.540 19.345 7.646 1.00 0.00 C ATOM 1611 CG PRO A 98 5.453 18.514 7.034 1.00 0.00 C ATOM 1612 CD PRO A 98 6.065 17.817 5.846 1.00 0.00 C ATOM 0 HA PRO A 98 8.715 19.122 7.440 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.379 19.491 8.714 1.00 0.00 H new ATOM 0 HB3 PRO A 98 6.591 20.335 7.193 1.00 0.00 H new ATOM 0 HG2 PRO A 98 5.067 17.790 7.752 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.613 19.138 6.728 1.00 0.00 H new ATOM 0 HD2 PRO A 98 5.806 16.758 5.823 1.00 0.00 H new ATOM 0 HD3 PRO A 98 5.723 18.249 4.906 1.00 0.00 H new ATOM 1620 N GLU A 99 8.654 17.719 9.470 1.00 0.00 N ATOM 1621 CA GLU A 99 8.874 16.690 10.528 1.00 0.00 C ATOM 1622 C GLU A 99 7.876 16.886 11.672 1.00 0.00 C ATOM 1623 O GLU A 99 7.567 17.997 12.056 1.00 0.00 O ATOM 1624 CB GLU A 99 10.304 16.926 11.017 1.00 0.00 C ATOM 1625 CG GLU A 99 10.765 15.726 11.845 1.00 0.00 C ATOM 1626 CD GLU A 99 11.114 16.188 13.262 1.00 0.00 C ATOM 1627 OE1 GLU A 99 10.385 17.010 13.792 1.00 0.00 O ATOM 1628 OE2 GLU A 99 12.105 15.713 13.791 1.00 0.00 O ATOM 0 H GLU A 99 9.082 18.626 9.655 1.00 0.00 H new ATOM 0 HA GLU A 99 8.733 15.676 10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.971 17.072 10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.349 17.834 11.618 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.979 14.971 11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.633 15.261 11.378 1.00 0.00 H new ATOM 1635 N VAL A 100 7.372 15.815 12.222 1.00 0.00 N ATOM 1636 CA VAL A 100 6.397 15.941 13.342 1.00 0.00 C ATOM 1637 C VAL A 100 7.140 16.035 14.678 1.00 0.00 C ATOM 1638 O VAL A 100 8.093 15.323 14.921 1.00 0.00 O ATOM 1639 CB VAL A 100 5.558 14.665 13.285 1.00 0.00 C ATOM 1640 CG1 VAL A 100 4.950 14.516 11.889 1.00 0.00 C ATOM 1641 CG2 VAL A 100 6.448 13.457 13.585 1.00 0.00 C ATOM 0 H VAL A 100 7.593 14.859 11.944 1.00 0.00 H new ATOM 0 HA VAL A 100 5.781 16.836 13.255 1.00 0.00 H new ATOM 0 HB VAL A 100 4.759 14.722 14.025 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.352 13.606 11.848 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.317 15.377 11.674 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.748 14.459 11.149 1.00 0.00 H new ATOM 0 HG21 VAL A 100 5.851 12.546 13.545 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.246 13.401 12.845 1.00 0.00 H new ATOM 0 HG23 VAL A 100 6.882 13.563 14.579 1.00 0.00 H new ATOM 1651 N THR A 101 6.711 16.912 15.545 1.00 0.00 N ATOM 1652 CA THR A 101 7.395 17.051 16.863 1.00 0.00 C ATOM 1653 C THR A 101 6.598 16.330 17.954 1.00 0.00 C ATOM 1654 O THR A 101 5.384 16.337 17.957 1.00 0.00 O ATOM 1655 CB THR A 101 7.431 18.556 17.132 1.00 0.00 C ATOM 1656 OG1 THR A 101 6.405 19.193 16.383 1.00 0.00 O ATOM 1657 CG2 THR A 101 8.791 19.119 16.719 1.00 0.00 C ATOM 0 H THR A 101 5.918 17.537 15.398 1.00 0.00 H new ATOM 0 HA THR A 101 8.393 16.612 16.858 1.00 0.00 H new ATOM 0 HB THR A 101 7.274 18.739 18.195 1.00 0.00 H new ATOM 0 HG1 THR A 101 6.425 20.158 16.555 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.814 20.192 16.912 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.577 18.630 17.294 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.952 18.938 15.656 1.00 0.00 H new ATOM 1665 N ASP A 102 7.275 15.707 18.880 1.00 0.00 N ATOM 1666 CA ASP A 102 6.556 14.986 19.970 1.00 0.00 C ATOM 1667 C ASP A 102 6.023 15.984 21.000 1.00 0.00 C ATOM 1668 O ASP A 102 6.775 16.701 21.630 1.00 0.00 O ATOM 1669 CB ASP A 102 7.608 14.074 20.602 1.00 0.00 C ATOM 1670 CG ASP A 102 7.004 13.359 21.811 1.00 0.00 C ATOM 1671 OD1 ASP A 102 6.243 12.428 21.606 1.00 0.00 O ATOM 1672 OD2 ASP A 102 7.313 13.755 22.924 1.00 0.00 O ATOM 0 H ASP A 102 8.293 15.666 18.929 1.00 0.00 H new ATOM 0 HA ASP A 102 5.699 14.424 19.599 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.958 13.344 19.872 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.475 14.659 20.908 1.00 0.00 H new ATOM 1677 N GLU A 103 4.731 16.035 21.177 1.00 0.00 N ATOM 1678 CA GLU A 103 4.152 16.987 22.168 1.00 0.00 C ATOM 1679 C GLU A 103 4.581 18.420 21.839 1.00 0.00 C ATOM 1680 O GLU A 103 4.145 19.322 22.534 1.00 0.00 O ATOM 1681 CB GLU A 103 4.725 16.552 23.517 1.00 0.00 C ATOM 1682 CG GLU A 103 3.872 17.135 24.646 1.00 0.00 C ATOM 1683 CD GLU A 103 4.696 17.188 25.934 1.00 0.00 C ATOM 1684 OE1 GLU A 103 5.645 16.429 26.038 1.00 0.00 O ATOM 1685 OE2 GLU A 103 4.362 17.985 26.795 1.00 0.00 O ATOM 1686 OXT GLU A 103 5.337 18.589 20.896 1.00 0.00 O ATOM 0 H GLU A 103 4.052 15.460 20.679 1.00 0.00 H new ATOM 0 HA GLU A 103 3.062 16.974 22.165 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.741 15.464 23.584 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.756 16.892 23.613 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.531 18.135 24.379 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.982 16.524 24.796 1.00 0.00 H new TER 1693 GLU A 103