USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 798 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 20 GLN : amide:sc= -0.389 X(o=-0.85,f=-0.71) USER MOD Set 1.2: A 82 THR OG1 : rot 160:sc= -0.461 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0896 (180deg=0) USER MOD Single : A 2 SER OG : rot 62:sc= 0.119 USER MOD Single : A 3 SER OG : rot 180:sc=-0.000323 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.065) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 18 THR OG1 : rot 180:sc=-0.00668 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00575 USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= -0.151 (180deg=-0.993) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -2.71 K(o=-2.7,f=-7.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.458 USER MOD Single : A 57 GLN : amide:sc= -1.23 K(o=-1.2,f=-4.6!) USER MOD Single : A 61 HIS : no HE2:sc= -0.551 K(o=-0.55,f=-1.7) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.385 K(o=-0.38,f=-3!) USER MOD Single : A 69 MET CE :methyl -141:sc= -0.776 (180deg=-3.17!) USER MOD Single : A 73 ASN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00602 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 46:sc= 0.618 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.173 -16.088 3.698 1.00 0.00 N ATOM 2 CA GLY A 1 20.994 -16.763 3.183 1.00 0.00 C ATOM 3 C GLY A 1 20.340 -17.627 4.263 1.00 0.00 C ATOM 4 O GLY A 1 20.989 -18.003 5.238 1.00 0.00 O ATOM 0 H1 GLY A 1 21.982 -15.069 3.778 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.410 -16.471 4.636 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.972 -16.241 3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.278 -16.026 2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.270 -17.386 2.332 1.00 0.00 H new ATOM 8 N SER A 2 19.065 -17.917 4.053 1.00 0.00 N ATOM 9 CA SER A 2 18.317 -18.730 4.996 1.00 0.00 C ATOM 10 C SER A 2 16.878 -18.907 4.509 1.00 0.00 C ATOM 11 O SER A 2 16.211 -17.933 4.163 1.00 0.00 O ATOM 12 CB SER A 2 18.331 -18.106 6.393 1.00 0.00 C ATOM 13 OG SER A 2 19.102 -18.874 7.313 1.00 0.00 O ATOM 0 H SER A 2 18.531 -17.603 3.243 1.00 0.00 H new ATOM 0 HA SER A 2 18.795 -19.707 5.059 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.737 -17.096 6.335 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.309 -18.018 6.761 1.00 0.00 H new ATOM 0 HG SER A 2 20.034 -18.906 7.012 1.00 0.00 H new ATOM 19 N SER A 3 16.440 -20.158 4.496 1.00 0.00 N ATOM 20 CA SER A 3 15.093 -20.476 4.056 1.00 0.00 C ATOM 21 C SER A 3 14.728 -21.902 4.473 1.00 0.00 C ATOM 22 O SER A 3 15.584 -22.655 4.936 1.00 0.00 O ATOM 23 CB SER A 3 14.955 -20.314 2.541 1.00 0.00 C ATOM 24 OG SER A 3 13.592 -20.228 2.135 1.00 0.00 O ATOM 0 H SER A 3 16.995 -20.964 4.784 1.00 0.00 H new ATOM 0 HA SER A 3 14.405 -19.778 4.533 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.485 -19.417 2.223 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.429 -21.159 2.041 1.00 0.00 H new ATOM 0 HG SER A 3 13.547 -20.124 1.162 1.00 0.00 H new ATOM 30 N GLY A 4 13.457 -22.231 4.293 1.00 0.00 N ATOM 31 CA GLY A 4 12.970 -23.553 4.644 1.00 0.00 C ATOM 32 C GLY A 4 12.086 -24.125 3.534 1.00 0.00 C ATOM 33 O GLY A 4 12.195 -23.718 2.378 1.00 0.00 O ATOM 0 H GLY A 4 12.750 -21.604 3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.814 -24.220 4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.404 -23.501 5.574 1.00 0.00 H new ATOM 37 N SER A 5 11.230 -25.058 3.924 1.00 0.00 N ATOM 38 CA SER A 5 10.328 -25.689 2.976 1.00 0.00 C ATOM 39 C SER A 5 9.345 -26.600 3.715 1.00 0.00 C ATOM 40 O SER A 5 9.675 -27.154 4.762 1.00 0.00 O ATOM 41 CB SER A 5 11.103 -26.486 1.925 1.00 0.00 C ATOM 42 OG SER A 5 10.235 -27.210 1.057 1.00 0.00 O ATOM 0 H SER A 5 11.142 -25.392 4.884 1.00 0.00 H new ATOM 0 HA SER A 5 9.771 -24.906 2.461 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.720 -25.806 1.337 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.780 -27.180 2.423 1.00 0.00 H new ATOM 0 HG SER A 5 10.768 -27.704 0.399 1.00 0.00 H new ATOM 48 N SER A 6 8.158 -26.727 3.140 1.00 0.00 N ATOM 49 CA SER A 6 7.126 -27.561 3.732 1.00 0.00 C ATOM 50 C SER A 6 5.984 -27.766 2.735 1.00 0.00 C ATOM 51 O SER A 6 5.884 -27.045 1.743 1.00 0.00 O ATOM 52 CB SER A 6 6.595 -26.945 5.028 1.00 0.00 C ATOM 53 OG SER A 6 5.741 -25.832 4.779 1.00 0.00 O ATOM 0 H SER A 6 7.888 -26.267 2.271 1.00 0.00 H new ATOM 0 HA SER A 6 7.566 -28.528 3.975 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.049 -27.702 5.592 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.433 -26.627 5.648 1.00 0.00 H new ATOM 0 HG SER A 6 5.421 -25.468 5.631 1.00 0.00 H new ATOM 59 N GLY A 7 5.151 -28.752 3.032 1.00 0.00 N ATOM 60 CA GLY A 7 4.019 -29.061 2.174 1.00 0.00 C ATOM 61 C GLY A 7 2.725 -29.153 2.985 1.00 0.00 C ATOM 62 O GLY A 7 2.514 -28.376 3.915 1.00 0.00 O ATOM 0 H GLY A 7 5.237 -29.348 3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.918 -28.292 1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.196 -30.004 1.658 1.00 0.00 H new ATOM 66 N ASP A 8 1.892 -30.110 2.603 1.00 0.00 N ATOM 67 CA ASP A 8 0.625 -30.314 3.283 1.00 0.00 C ATOM 68 C ASP A 8 -0.210 -29.035 3.191 1.00 0.00 C ATOM 69 O ASP A 8 0.297 -27.985 2.800 1.00 0.00 O ATOM 70 CB ASP A 8 0.839 -30.633 4.764 1.00 0.00 C ATOM 71 CG ASP A 8 0.148 -31.906 5.258 1.00 0.00 C ATOM 72 OD1 ASP A 8 -0.402 -32.624 4.396 1.00 0.00 O ATOM 73 OD2 ASP A 8 0.186 -32.131 6.487 1.00 0.00 O ATOM 0 H ASP A 8 2.070 -30.753 1.831 1.00 0.00 H new ATOM 0 HA ASP A 8 0.117 -31.151 2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.909 -30.723 4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.482 -29.791 5.357 1.00 0.00 H new ATOM 78 N GLN A 9 -1.477 -29.166 3.558 1.00 0.00 N ATOM 79 CA GLN A 9 -2.387 -28.034 3.522 1.00 0.00 C ATOM 80 C GLN A 9 -1.778 -26.840 4.260 1.00 0.00 C ATOM 81 O GLN A 9 -0.807 -26.992 4.999 1.00 0.00 O ATOM 82 CB GLN A 9 -3.749 -28.406 4.110 1.00 0.00 C ATOM 83 CG GLN A 9 -4.526 -29.318 3.160 1.00 0.00 C ATOM 84 CD GLN A 9 -5.185 -28.510 2.040 1.00 0.00 C ATOM 85 OE1 GLN A 9 -6.300 -28.029 2.159 1.00 0.00 O ATOM 86 NE2 GLN A 9 -4.435 -28.387 0.948 1.00 0.00 N ATOM 0 H GLN A 9 -1.894 -30.039 3.882 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.543 -27.751 2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.611 -28.907 5.068 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.325 -27.501 4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.853 -30.060 2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.288 -29.864 3.716 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.510 -28.815 0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.785 -27.865 0.145 1.00 0.00 H new ATOM 95 N GLU A 10 -2.375 -25.678 4.035 1.00 0.00 N ATOM 96 CA GLU A 10 -1.904 -24.459 4.669 1.00 0.00 C ATOM 97 C GLU A 10 -3.071 -23.717 5.324 1.00 0.00 C ATOM 98 O GLU A 10 -4.003 -23.293 4.643 1.00 0.00 O ATOM 99 CB GLU A 10 -1.179 -23.562 3.664 1.00 0.00 C ATOM 100 CG GLU A 10 -0.180 -24.368 2.831 1.00 0.00 C ATOM 101 CD GLU A 10 1.101 -23.568 2.586 1.00 0.00 C ATOM 102 OE1 GLU A 10 1.570 -22.937 3.558 1.00 0.00 O ATOM 103 OE2 GLU A 10 1.582 -23.606 1.433 1.00 0.00 O ATOM 0 H GLU A 10 -3.181 -25.556 3.422 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.189 -24.730 5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.906 -23.085 3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.657 -22.765 4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.061 -25.298 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.632 -24.639 1.877 1.00 0.00 H new ATOM 110 N VAL A 11 -2.981 -23.582 6.640 1.00 0.00 N ATOM 111 CA VAL A 11 -4.017 -22.899 7.394 1.00 0.00 C ATOM 112 C VAL A 11 -3.377 -21.819 8.269 1.00 0.00 C ATOM 113 O VAL A 11 -3.614 -20.629 8.066 1.00 0.00 O ATOM 114 CB VAL A 11 -4.834 -23.912 8.198 1.00 0.00 C ATOM 115 CG1 VAL A 11 -5.870 -23.208 9.077 1.00 0.00 C ATOM 116 CG2 VAL A 11 -5.501 -24.934 7.275 1.00 0.00 C ATOM 0 H VAL A 11 -2.206 -23.934 7.202 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.714 -22.401 6.720 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.149 -24.450 8.854 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.437 -23.951 9.638 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.363 -22.538 9.772 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.549 -22.632 8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.076 -25.643 7.872 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.167 -24.419 6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.736 -25.470 6.712 1.00 0.00 H new ATOM 126 N ARG A 12 -2.577 -22.272 9.223 1.00 0.00 N ATOM 127 CA ARG A 12 -1.901 -21.360 10.129 1.00 0.00 C ATOM 128 C ARG A 12 -0.950 -20.447 9.352 1.00 0.00 C ATOM 129 O ARG A 12 -0.972 -19.230 9.525 1.00 0.00 O ATOM 130 CB ARG A 12 -1.109 -22.124 11.191 1.00 0.00 C ATOM 131 CG ARG A 12 -2.047 -22.824 12.177 1.00 0.00 C ATOM 132 CD ARG A 12 -2.313 -21.944 13.400 1.00 0.00 C ATOM 133 NE ARG A 12 -3.152 -22.674 14.376 1.00 0.00 N ATOM 134 CZ ARG A 12 -4.478 -22.833 14.256 1.00 0.00 C ATOM 135 NH1 ARG A 12 -5.122 -22.314 13.202 1.00 0.00 N ATOM 136 NH2 ARG A 12 -5.158 -23.510 15.191 1.00 0.00 N ATOM 0 H ARG A 12 -2.382 -23.259 9.388 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.664 -20.759 10.624 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.466 -22.861 10.710 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.458 -21.435 11.729 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.989 -23.060 11.683 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.607 -23.770 12.494 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.369 -21.656 13.863 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.812 -21.024 13.095 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.693 -23.082 15.191 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.604 -21.798 12.491 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.131 -22.435 13.111 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.667 -23.904 15.994 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.167 -23.631 15.100 1.00 0.00 H new ATOM 150 N LEU A 13 -0.137 -21.071 8.512 1.00 0.00 N ATOM 151 CA LEU A 13 0.820 -20.331 7.707 1.00 0.00 C ATOM 152 C LEU A 13 1.842 -19.660 8.627 1.00 0.00 C ATOM 153 O LEU A 13 2.963 -20.146 8.774 1.00 0.00 O ATOM 154 CB LEU A 13 0.097 -19.355 6.777 1.00 0.00 C ATOM 155 CG LEU A 13 0.969 -18.285 6.118 1.00 0.00 C ATOM 156 CD1 LEU A 13 1.021 -18.478 4.601 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.499 -16.881 6.501 1.00 0.00 C ATOM 0 H LEU A 13 -0.121 -22.081 8.371 1.00 0.00 H new ATOM 0 HA LEU A 13 1.372 -21.007 7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.394 -19.929 5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.688 -18.856 7.346 1.00 0.00 H new ATOM 0 HG LEU A 13 1.987 -18.396 6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.647 -17.704 4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.439 -19.458 4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.014 -18.409 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.136 -16.140 6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.532 -16.741 6.175 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.557 -16.760 7.583 1.00 0.00 H new ATOM 169 N GLU A 14 1.419 -18.555 9.223 1.00 0.00 N ATOM 170 CA GLU A 14 2.284 -17.813 10.125 1.00 0.00 C ATOM 171 C GLU A 14 3.204 -16.883 9.332 1.00 0.00 C ATOM 172 O GLU A 14 3.304 -15.695 9.637 1.00 0.00 O ATOM 173 CB GLU A 14 3.094 -18.761 11.012 1.00 0.00 C ATOM 174 CG GLU A 14 3.051 -18.315 12.474 1.00 0.00 C ATOM 175 CD GLU A 14 3.505 -19.441 13.405 1.00 0.00 C ATOM 176 OE1 GLU A 14 4.728 -19.516 13.651 1.00 0.00 O ATOM 177 OE2 GLU A 14 2.618 -20.202 13.850 1.00 0.00 O ATOM 0 H GLU A 14 0.489 -18.155 9.099 1.00 0.00 H new ATOM 0 HA GLU A 14 1.659 -17.204 10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.698 -19.773 10.925 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.128 -18.792 10.668 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.692 -17.444 12.611 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.038 -18.009 12.735 1.00 0.00 H new ATOM 184 N ASN A 15 3.853 -17.458 8.330 1.00 0.00 N ATOM 185 CA ASN A 15 4.761 -16.695 7.491 1.00 0.00 C ATOM 186 C ASN A 15 4.154 -15.320 7.208 1.00 0.00 C ATOM 187 O ASN A 15 2.943 -15.136 7.325 1.00 0.00 O ATOM 188 CB ASN A 15 4.992 -17.395 6.151 1.00 0.00 C ATOM 189 CG ASN A 15 5.938 -18.587 6.310 1.00 0.00 C ATOM 190 OD1 ASN A 15 5.955 -19.268 7.322 1.00 0.00 O ATOM 191 ND2 ASN A 15 6.722 -18.800 5.257 1.00 0.00 N ATOM 0 H ASN A 15 3.768 -18.443 8.080 1.00 0.00 H new ATOM 0 HA ASN A 15 5.711 -16.604 8.018 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.039 -17.734 5.745 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.410 -16.688 5.435 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.389 -19.572 5.265 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.657 -18.191 4.441 1.00 0.00 H new ATOM 198 N ARG A 16 5.023 -14.389 6.842 1.00 0.00 N ATOM 199 CA ARG A 16 4.587 -13.035 6.541 1.00 0.00 C ATOM 200 C ARG A 16 5.542 -12.380 5.541 1.00 0.00 C ATOM 201 O ARG A 16 6.758 -12.432 5.713 1.00 0.00 O ATOM 202 CB ARG A 16 4.524 -12.182 7.810 1.00 0.00 C ATOM 203 CG ARG A 16 5.816 -12.310 8.621 1.00 0.00 C ATOM 204 CD ARG A 16 5.597 -13.171 9.867 1.00 0.00 C ATOM 205 NE ARG A 16 6.345 -12.604 11.011 1.00 0.00 N ATOM 206 CZ ARG A 16 6.277 -13.079 12.262 1.00 0.00 C ATOM 207 NH1 ARG A 16 5.495 -14.132 12.538 1.00 0.00 N ATOM 208 NH2 ARG A 16 6.991 -12.501 13.238 1.00 0.00 N ATOM 0 H ARG A 16 6.026 -14.545 6.747 1.00 0.00 H new ATOM 0 HA ARG A 16 3.588 -13.096 6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.360 -11.138 7.543 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.675 -12.492 8.420 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.596 -12.752 8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.165 -11.320 8.915 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.534 -13.218 10.104 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.927 -14.192 9.676 1.00 0.00 H new ATOM 0 HE ARG A 16 6.950 -11.802 10.836 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.951 -14.572 11.796 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.444 -14.493 13.490 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.586 -11.700 13.028 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.939 -12.863 14.190 1.00 0.00 H new ATOM 222 N ILE A 17 4.954 -11.779 4.517 1.00 0.00 N ATOM 223 CA ILE A 17 5.737 -11.114 3.489 1.00 0.00 C ATOM 224 C ILE A 17 5.720 -9.605 3.738 1.00 0.00 C ATOM 225 O ILE A 17 4.744 -9.069 4.260 1.00 0.00 O ATOM 226 CB ILE A 17 5.242 -11.514 2.098 1.00 0.00 C ATOM 227 CG1 ILE A 17 3.836 -10.969 1.838 1.00 0.00 C ATOM 228 CG2 ILE A 17 5.315 -13.030 1.904 1.00 0.00 C ATOM 229 CD1 ILE A 17 3.880 -9.477 1.503 1.00 0.00 C ATOM 0 H ILE A 17 3.944 -11.739 4.377 1.00 0.00 H new ATOM 0 HA ILE A 17 6.778 -11.433 3.536 1.00 0.00 H new ATOM 0 HB ILE A 17 5.903 -11.063 1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.376 -11.517 1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.211 -11.130 2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.957 -13.287 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.347 -13.362 2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.693 -13.523 2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.868 -9.115 1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.318 -8.929 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.485 -9.322 0.610 1.00 0.00 H new ATOM 241 N THR A 18 6.813 -8.962 3.352 1.00 0.00 N ATOM 242 CA THR A 18 6.936 -7.525 3.527 1.00 0.00 C ATOM 243 C THR A 18 7.315 -6.857 2.203 1.00 0.00 C ATOM 244 O THR A 18 7.861 -7.505 1.311 1.00 0.00 O ATOM 245 CB THR A 18 7.947 -7.270 4.647 1.00 0.00 C ATOM 246 OG1 THR A 18 7.577 -8.195 5.666 1.00 0.00 O ATOM 247 CG2 THR A 18 7.761 -5.900 5.302 1.00 0.00 C ATOM 0 H THR A 18 7.621 -9.410 2.919 1.00 0.00 H new ATOM 0 HA THR A 18 5.985 -7.079 3.820 1.00 0.00 H new ATOM 0 HB THR A 18 8.958 -7.347 4.248 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.183 -8.099 6.430 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.503 -5.770 6.090 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.886 -5.118 4.553 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.761 -5.835 5.731 1.00 0.00 H new ATOM 255 N PHE A 19 7.010 -5.571 2.117 1.00 0.00 N ATOM 256 CA PHE A 19 7.312 -4.809 0.917 1.00 0.00 C ATOM 257 C PHE A 19 7.461 -3.320 1.237 1.00 0.00 C ATOM 258 O PHE A 19 7.036 -2.863 2.297 1.00 0.00 O ATOM 259 CB PHE A 19 6.134 -4.997 -0.040 1.00 0.00 C ATOM 260 CG PHE A 19 4.786 -4.565 0.539 1.00 0.00 C ATOM 261 CD1 PHE A 19 4.391 -3.266 0.447 1.00 0.00 C ATOM 262 CD2 PHE A 19 3.982 -5.478 1.146 1.00 0.00 C ATOM 263 CE1 PHE A 19 3.140 -2.865 0.985 1.00 0.00 C ATOM 264 CE2 PHE A 19 2.730 -5.077 1.683 1.00 0.00 C ATOM 265 CZ PHE A 19 2.335 -3.779 1.591 1.00 0.00 C ATOM 0 H PHE A 19 6.557 -5.037 2.859 1.00 0.00 H new ATOM 0 HA PHE A 19 8.249 -5.156 0.482 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.325 -4.429 -0.951 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.075 -6.047 -0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.029 -2.540 -0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.296 -6.509 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.827 -1.834 0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.092 -5.803 2.164 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.383 -3.474 1.999 1.00 0.00 H new ATOM 275 N GLN A 20 8.067 -2.604 0.300 1.00 0.00 N ATOM 276 CA GLN A 20 8.277 -1.176 0.468 1.00 0.00 C ATOM 277 C GLN A 20 7.237 -0.389 -0.331 1.00 0.00 C ATOM 278 O GLN A 20 6.708 -0.883 -1.325 1.00 0.00 O ATOM 279 CB GLN A 20 9.697 -0.780 0.061 1.00 0.00 C ATOM 280 CG GLN A 20 10.702 -1.134 1.159 1.00 0.00 C ATOM 281 CD GLN A 20 11.773 -2.093 0.633 1.00 0.00 C ATOM 282 OE1 GLN A 20 12.116 -3.084 1.257 1.00 0.00 O ATOM 283 NE2 GLN A 20 12.280 -1.743 -0.546 1.00 0.00 N ATOM 0 H GLN A 20 8.419 -2.987 -0.578 1.00 0.00 H new ATOM 0 HA GLN A 20 8.156 -0.932 1.523 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.969 -1.289 -0.864 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.736 0.290 -0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.174 -0.225 1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.181 -1.591 2.000 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.947 -0.900 -1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.001 -2.318 -0.982 1.00 0.00 H new ATOM 292 N LEU A 21 6.975 0.824 0.134 1.00 0.00 N ATOM 293 CA LEU A 21 6.008 1.685 -0.525 1.00 0.00 C ATOM 294 C LEU A 21 6.651 3.043 -0.811 1.00 0.00 C ATOM 295 O LEU A 21 7.493 3.509 -0.044 1.00 0.00 O ATOM 296 CB LEU A 21 4.722 1.775 0.299 1.00 0.00 C ATOM 297 CG LEU A 21 3.423 1.462 -0.448 1.00 0.00 C ATOM 298 CD1 LEU A 21 2.202 1.833 0.396 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.401 2.142 -1.818 1.00 0.00 C ATOM 0 H LEU A 21 7.416 1.231 0.959 1.00 0.00 H new ATOM 0 HA LEU A 21 5.715 1.262 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.806 1.091 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.648 2.781 0.711 1.00 0.00 H new ATOM 0 HG LEU A 21 3.379 0.387 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.293 1.601 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.216 1.264 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.226 2.899 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.468 1.903 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.479 3.222 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.241 1.786 -2.414 1.00 0.00 H new ATOM 311 N GLU A 22 6.232 3.640 -1.917 1.00 0.00 N ATOM 312 CA GLU A 22 6.757 4.936 -2.313 1.00 0.00 C ATOM 313 C GLU A 22 5.726 6.033 -2.040 1.00 0.00 C ATOM 314 O GLU A 22 4.688 6.091 -2.696 1.00 0.00 O ATOM 315 CB GLU A 22 7.175 4.931 -3.785 1.00 0.00 C ATOM 316 CG GLU A 22 8.488 5.690 -3.985 1.00 0.00 C ATOM 317 CD GLU A 22 9.190 5.243 -5.269 1.00 0.00 C ATOM 318 OE1 GLU A 22 9.111 4.031 -5.566 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.789 6.123 -5.924 1.00 0.00 O ATOM 0 H GLU A 22 5.535 3.250 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 22 7.646 5.144 -1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.288 3.904 -4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.392 5.387 -4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.290 6.761 -4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.143 5.521 -3.130 1.00 0.00 H new ATOM 326 N LEU A 23 6.049 6.875 -1.069 1.00 0.00 N ATOM 327 CA LEU A 23 5.164 7.967 -0.701 1.00 0.00 C ATOM 328 C LEU A 23 5.349 9.123 -1.686 1.00 0.00 C ATOM 329 O LEU A 23 5.996 10.118 -1.366 1.00 0.00 O ATOM 330 CB LEU A 23 5.383 8.364 0.761 1.00 0.00 C ATOM 331 CG LEU A 23 4.550 7.603 1.794 1.00 0.00 C ATOM 332 CD1 LEU A 23 5.233 7.613 3.163 1.00 0.00 C ATOM 333 CD2 LEU A 23 3.124 8.152 1.861 1.00 0.00 C ATOM 0 H LEU A 23 6.911 6.823 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 23 4.123 7.653 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.437 8.226 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.170 9.428 0.864 1.00 0.00 H new ATOM 0 HG LEU A 23 4.479 6.563 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.620 7.065 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.211 7.139 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.355 8.642 3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.554 7.593 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.152 9.205 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.649 8.050 0.885 1.00 0.00 H new ATOM 345 N VAL A 24 4.769 8.951 -2.865 1.00 0.00 N ATOM 346 CA VAL A 24 4.862 9.968 -3.899 1.00 0.00 C ATOM 347 C VAL A 24 4.386 11.308 -3.335 1.00 0.00 C ATOM 348 O VAL A 24 3.213 11.464 -3.002 1.00 0.00 O ATOM 349 CB VAL A 24 4.077 9.528 -5.137 1.00 0.00 C ATOM 350 CG1 VAL A 24 4.141 10.593 -6.234 1.00 0.00 C ATOM 351 CG2 VAL A 24 4.578 8.178 -5.653 1.00 0.00 C ATOM 0 H VAL A 24 4.233 8.123 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 24 5.897 10.098 -4.215 1.00 0.00 H new ATOM 0 HB VAL A 24 3.033 9.409 -4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.575 10.255 -7.102 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.714 11.524 -5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.180 10.759 -6.520 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.003 7.889 -6.533 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.632 8.258 -5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.456 7.423 -4.876 1.00 0.00 H new ATOM 361 N GLY A 25 5.323 12.241 -3.246 1.00 0.00 N ATOM 362 CA GLY A 25 5.014 13.563 -2.728 1.00 0.00 C ATOM 363 C GLY A 25 5.780 13.837 -1.432 1.00 0.00 C ATOM 364 O GLY A 25 6.275 14.943 -1.221 1.00 0.00 O ATOM 0 H GLY A 25 6.295 12.108 -3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.269 14.318 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.942 13.645 -2.546 1.00 0.00 H new ATOM 368 N LEU A 26 5.854 12.810 -0.598 1.00 0.00 N ATOM 369 CA LEU A 26 6.552 12.926 0.672 1.00 0.00 C ATOM 370 C LEU A 26 8.050 12.710 0.447 1.00 0.00 C ATOM 371 O LEU A 26 8.874 13.224 1.202 1.00 0.00 O ATOM 372 CB LEU A 26 5.942 11.978 1.706 1.00 0.00 C ATOM 373 CG LEU A 26 5.604 12.596 3.065 1.00 0.00 C ATOM 374 CD1 LEU A 26 4.921 11.574 3.976 1.00 0.00 C ATOM 375 CD2 LEU A 26 6.848 13.203 3.715 1.00 0.00 C ATOM 0 H LEU A 26 5.442 11.894 -0.777 1.00 0.00 H new ATOM 0 HA LEU A 26 6.433 13.928 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.031 11.552 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.635 11.153 1.867 1.00 0.00 H new ATOM 0 HG LEU A 26 4.896 13.409 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.691 12.038 4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.998 11.230 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.586 10.725 4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.581 13.635 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.598 12.426 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.253 13.981 3.068 1.00 0.00 H new ATOM 387 N GLU A 27 8.356 11.950 -0.594 1.00 0.00 N ATOM 388 CA GLU A 27 9.740 11.660 -0.927 1.00 0.00 C ATOM 389 C GLU A 27 10.370 10.770 0.147 1.00 0.00 C ATOM 390 O GLU A 27 11.214 11.224 0.918 1.00 0.00 O ATOM 391 CB GLU A 27 10.542 12.950 -1.109 1.00 0.00 C ATOM 392 CG GLU A 27 9.731 13.996 -1.877 1.00 0.00 C ATOM 393 CD GLU A 27 9.457 13.533 -3.309 1.00 0.00 C ATOM 394 OE1 GLU A 27 8.420 12.862 -3.500 1.00 0.00 O ATOM 395 OE2 GLU A 27 10.290 13.861 -4.181 1.00 0.00 O ATOM 0 H GLU A 27 7.669 11.526 -1.218 1.00 0.00 H new ATOM 0 HA GLU A 27 9.760 11.122 -1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.824 13.347 -0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.466 12.735 -1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.787 14.179 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.273 14.941 -1.894 1.00 0.00 H new ATOM 402 N ARG A 28 9.934 9.519 0.164 1.00 0.00 N ATOM 403 CA ARG A 28 10.444 8.562 1.131 1.00 0.00 C ATOM 404 C ARG A 28 9.908 7.162 0.825 1.00 0.00 C ATOM 405 O ARG A 28 8.906 7.016 0.126 1.00 0.00 O ATOM 406 CB ARG A 28 10.047 8.953 2.555 1.00 0.00 C ATOM 407 CG ARG A 28 8.556 8.705 2.797 1.00 0.00 C ATOM 408 CD ARG A 28 8.159 9.096 4.221 1.00 0.00 C ATOM 409 NE ARG A 28 9.068 10.148 4.730 1.00 0.00 N ATOM 410 CZ ARG A 28 10.228 9.902 5.352 1.00 0.00 C ATOM 411 NH1 ARG A 28 10.628 8.638 5.548 1.00 0.00 N ATOM 412 NH2 ARG A 28 10.988 10.919 5.780 1.00 0.00 N ATOM 0 H ARG A 28 9.233 9.146 -0.476 1.00 0.00 H new ATOM 0 HA ARG A 28 11.531 8.563 1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.636 8.379 3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.276 10.005 2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.967 9.279 2.081 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.327 7.653 2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.130 9.455 4.235 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.200 8.222 4.872 1.00 0.00 H new ATOM 0 HE ARG A 28 8.793 11.121 4.599 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.049 7.864 5.223 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.512 8.450 6.022 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.683 11.881 5.632 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.872 10.731 6.254 1.00 0.00 H new ATOM 426 N VAL A 29 10.598 6.168 1.364 1.00 0.00 N ATOM 427 CA VAL A 29 10.203 4.784 1.158 1.00 0.00 C ATOM 428 C VAL A 29 9.815 4.164 2.502 1.00 0.00 C ATOM 429 O VAL A 29 10.602 4.178 3.447 1.00 0.00 O ATOM 430 CB VAL A 29 11.324 4.021 0.448 1.00 0.00 C ATOM 431 CG1 VAL A 29 10.975 2.537 0.312 1.00 0.00 C ATOM 432 CG2 VAL A 29 11.629 4.640 -0.917 1.00 0.00 C ATOM 0 H VAL A 29 11.428 6.293 1.943 1.00 0.00 H new ATOM 0 HA VAL A 29 9.328 4.728 0.510 1.00 0.00 H new ATOM 0 HB VAL A 29 12.223 4.099 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.787 2.017 -0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.831 2.105 1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.058 2.431 -0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.429 4.079 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.735 4.607 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.941 5.676 -0.785 1.00 0.00 H new ATOM 442 N VAL A 30 8.602 3.633 2.543 1.00 0.00 N ATOM 443 CA VAL A 30 8.099 3.009 3.755 1.00 0.00 C ATOM 444 C VAL A 30 8.009 1.496 3.544 1.00 0.00 C ATOM 445 O VAL A 30 8.038 1.021 2.410 1.00 0.00 O ATOM 446 CB VAL A 30 6.762 3.638 4.153 1.00 0.00 C ATOM 447 CG1 VAL A 30 6.978 4.920 4.959 1.00 0.00 C ATOM 448 CG2 VAL A 30 5.894 3.904 2.922 1.00 0.00 C ATOM 0 H VAL A 30 7.953 3.622 1.756 1.00 0.00 H new ATOM 0 HA VAL A 30 8.783 3.182 4.586 1.00 0.00 H new ATOM 0 HB VAL A 30 6.233 2.928 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.012 5.347 5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.539 4.690 5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.537 5.638 4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.950 4.351 3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.415 4.586 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.698 2.965 2.405 1.00 0.00 H new ATOM 458 N ARG A 31 7.901 0.781 4.655 1.00 0.00 N ATOM 459 CA ARG A 31 7.806 -0.668 4.606 1.00 0.00 C ATOM 460 C ARG A 31 6.482 -1.134 5.214 1.00 0.00 C ATOM 461 O ARG A 31 5.965 -0.509 6.139 1.00 0.00 O ATOM 462 CB ARG A 31 8.965 -1.321 5.362 1.00 0.00 C ATOM 463 CG ARG A 31 8.990 -2.833 5.126 1.00 0.00 C ATOM 464 CD ARG A 31 9.860 -3.536 6.170 1.00 0.00 C ATOM 465 NE ARG A 31 10.750 -4.517 5.510 1.00 0.00 N ATOM 466 CZ ARG A 31 11.816 -4.185 4.769 1.00 0.00 C ATOM 467 NH1 ARG A 31 12.131 -2.895 4.590 1.00 0.00 N ATOM 468 NH2 ARG A 31 12.566 -5.142 4.208 1.00 0.00 N ATOM 0 H ARG A 31 7.877 1.179 5.594 1.00 0.00 H new ATOM 0 HA ARG A 31 7.854 -0.969 3.559 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.909 -0.883 5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.869 -1.117 6.428 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.975 -3.228 5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.373 -3.043 4.127 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.454 -2.802 6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.229 -4.040 6.902 1.00 0.00 H new ATOM 0 HE ARG A 31 10.539 -5.508 5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.560 -2.166 5.018 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.942 -2.642 4.026 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.326 -6.124 4.345 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.377 -4.889 3.644 1.00 0.00 H new ATOM 482 N ILE A 32 5.970 -2.228 4.670 1.00 0.00 N ATOM 483 CA ILE A 32 4.716 -2.785 5.147 1.00 0.00 C ATOM 484 C ILE A 32 4.878 -4.293 5.354 1.00 0.00 C ATOM 485 O ILE A 32 5.459 -4.979 4.514 1.00 0.00 O ATOM 486 CB ILE A 32 3.571 -2.414 4.203 1.00 0.00 C ATOM 487 CG1 ILE A 32 3.539 -0.905 3.948 1.00 0.00 C ATOM 488 CG2 ILE A 32 2.233 -2.934 4.733 1.00 0.00 C ATOM 489 CD1 ILE A 32 2.247 -0.497 3.237 1.00 0.00 C ATOM 0 H ILE A 32 6.401 -2.744 3.903 1.00 0.00 H new ATOM 0 HA ILE A 32 4.453 -2.356 6.114 1.00 0.00 H new ATOM 0 HB ILE A 32 3.748 -2.900 3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.622 -0.371 4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.398 -0.616 3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.436 -2.657 4.043 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.274 -4.020 4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.035 -2.497 5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.249 0.580 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.179 -1.015 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.391 -0.765 3.856 1.00 0.00 H new ATOM 501 N SER A 33 4.354 -4.764 6.475 1.00 0.00 N ATOM 502 CA SER A 33 4.433 -6.177 6.803 1.00 0.00 C ATOM 503 C SER A 33 3.028 -6.748 7.003 1.00 0.00 C ATOM 504 O SER A 33 2.202 -6.146 7.687 1.00 0.00 O ATOM 505 CB SER A 33 5.282 -6.406 8.055 1.00 0.00 C ATOM 506 OG SER A 33 4.954 -5.491 9.097 1.00 0.00 O ATOM 0 H SER A 33 3.872 -4.192 7.169 1.00 0.00 H new ATOM 0 HA SER A 33 4.913 -6.694 5.972 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.137 -7.426 8.410 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.337 -6.304 7.801 1.00 0.00 H new ATOM 0 HG SER A 33 5.516 -5.671 9.879 1.00 0.00 H new ATOM 512 N ALA A 34 2.800 -7.902 6.393 1.00 0.00 N ATOM 513 CA ALA A 34 1.509 -8.560 6.496 1.00 0.00 C ATOM 514 C ALA A 34 1.572 -9.912 5.781 1.00 0.00 C ATOM 515 O ALA A 34 2.402 -10.112 4.896 1.00 0.00 O ATOM 516 CB ALA A 34 0.423 -7.648 5.922 1.00 0.00 C ATOM 0 H ALA A 34 3.488 -8.398 5.826 1.00 0.00 H new ATOM 0 HA ALA A 34 1.258 -8.749 7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.545 -8.142 5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.399 -6.713 6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.640 -7.438 4.875 1.00 0.00 H new ATOM 522 N LYS A 35 0.684 -10.805 6.193 1.00 0.00 N ATOM 523 CA LYS A 35 0.629 -12.132 5.603 1.00 0.00 C ATOM 524 C LYS A 35 0.540 -12.005 4.081 1.00 0.00 C ATOM 525 O LYS A 35 0.021 -11.016 3.565 1.00 0.00 O ATOM 526 CB LYS A 35 -0.511 -12.945 6.220 1.00 0.00 C ATOM 527 CG LYS A 35 -1.763 -12.084 6.400 1.00 0.00 C ATOM 528 CD LYS A 35 -2.027 -11.804 7.881 1.00 0.00 C ATOM 529 CE LYS A 35 -2.207 -10.305 8.132 1.00 0.00 C ATOM 530 NZ LYS A 35 -1.748 -9.948 9.493 1.00 0.00 N ATOM 0 H LYS A 35 -0.003 -10.636 6.928 1.00 0.00 H new ATOM 0 HA LYS A 35 1.541 -12.686 5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.741 -13.798 5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.198 -13.344 7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.642 -11.143 5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.623 -12.591 5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.920 -12.340 8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.197 -12.180 8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.645 -9.736 7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.256 -10.034 8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.877 -8.928 9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.302 -10.477 10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.741 -10.188 9.594 1.00 0.00 H new ATOM 544 N PRO A 36 1.068 -13.048 3.386 1.00 0.00 N ATOM 545 CA PRO A 36 1.054 -13.063 1.933 1.00 0.00 C ATOM 546 C PRO A 36 -0.346 -13.374 1.401 1.00 0.00 C ATOM 547 O PRO A 36 -0.925 -12.578 0.663 1.00 0.00 O ATOM 548 CB PRO A 36 2.084 -14.110 1.540 1.00 0.00 C ATOM 549 CG PRO A 36 2.300 -14.967 2.777 1.00 0.00 C ATOM 550 CD PRO A 36 1.691 -14.236 3.962 1.00 0.00 C ATOM 0 HA PRO A 36 1.305 -12.094 1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.729 -14.713 0.704 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.015 -13.642 1.222 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.834 -15.944 2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.364 -15.140 2.941 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.958 -14.858 4.476 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.452 -13.968 4.695 1.00 0.00 H new ATOM 558 N THR A 37 -0.852 -14.532 1.798 1.00 0.00 N ATOM 559 CA THR A 37 -2.174 -14.958 1.371 1.00 0.00 C ATOM 560 C THR A 37 -3.132 -13.766 1.334 1.00 0.00 C ATOM 561 O THR A 37 -3.825 -13.553 0.341 1.00 0.00 O ATOM 562 CB THR A 37 -2.634 -16.079 2.305 1.00 0.00 C ATOM 563 OG1 THR A 37 -2.275 -15.618 3.604 1.00 0.00 O ATOM 564 CG2 THR A 37 -1.819 -17.362 2.127 1.00 0.00 C ATOM 0 H THR A 37 -0.370 -15.189 2.411 1.00 0.00 H new ATOM 0 HA THR A 37 -2.154 -15.350 0.354 1.00 0.00 H new ATOM 0 HB THR A 37 -3.688 -16.291 2.125 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.539 -16.284 4.272 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.187 -18.125 2.813 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.920 -17.718 1.102 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.769 -17.159 2.339 1.00 0.00 H new ATOM 572 N LYS A 38 -3.140 -13.020 2.429 1.00 0.00 N ATOM 573 CA LYS A 38 -4.001 -11.854 2.534 1.00 0.00 C ATOM 574 C LYS A 38 -3.924 -11.050 1.235 1.00 0.00 C ATOM 575 O LYS A 38 -3.019 -11.253 0.428 1.00 0.00 O ATOM 576 CB LYS A 38 -3.652 -11.042 3.783 1.00 0.00 C ATOM 577 CG LYS A 38 -4.850 -10.952 4.731 1.00 0.00 C ATOM 578 CD LYS A 38 -4.876 -9.605 5.456 1.00 0.00 C ATOM 579 CE LYS A 38 -5.498 -9.743 6.847 1.00 0.00 C ATOM 580 NZ LYS A 38 -6.975 -9.784 6.752 1.00 0.00 N ATOM 0 H LYS A 38 -2.564 -13.200 3.251 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.040 -12.157 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.810 -11.504 4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.337 -10.040 3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.774 -11.084 4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.803 -11.761 5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.862 -9.216 5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.444 -8.883 4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.133 -10.651 7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.191 -8.906 7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.364 -10.253 7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.346 -8.814 6.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.254 -10.314 5.902 1.00 0.00 H new ATOM 594 N ARG A 39 -4.887 -10.153 1.074 1.00 0.00 N ATOM 595 CA ARG A 39 -4.939 -9.317 -0.113 1.00 0.00 C ATOM 596 C ARG A 39 -4.189 -8.006 0.128 1.00 0.00 C ATOM 597 O ARG A 39 -3.661 -7.779 1.215 1.00 0.00 O ATOM 598 CB ARG A 39 -6.386 -9.005 -0.503 1.00 0.00 C ATOM 599 CG ARG A 39 -7.043 -10.210 -1.179 1.00 0.00 C ATOM 600 CD ARG A 39 -8.427 -9.846 -1.722 1.00 0.00 C ATOM 601 NE ARG A 39 -9.378 -9.664 -0.603 1.00 0.00 N ATOM 602 CZ ARG A 39 -10.709 -9.607 -0.749 1.00 0.00 C ATOM 603 NH1 ARG A 39 -11.254 -9.719 -1.968 1.00 0.00 N ATOM 604 NH2 ARG A 39 -11.494 -9.440 0.323 1.00 0.00 N ATOM 0 H ARG A 39 -5.637 -9.988 1.746 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.465 -9.866 -0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.954 -8.727 0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.408 -8.148 -1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.411 -10.565 -1.993 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.132 -11.029 -0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.366 -8.931 -2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.783 -10.631 -2.389 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.996 -9.576 0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.656 -9.848 -2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.267 -9.676 -2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.079 -9.356 1.251 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.507 -9.397 0.212 1.00 0.00 H new ATOM 618 N LEU A 40 -4.166 -7.176 -0.905 1.00 0.00 N ATOM 619 CA LEU A 40 -3.489 -5.894 -0.820 1.00 0.00 C ATOM 620 C LEU A 40 -4.362 -4.912 -0.036 1.00 0.00 C ATOM 621 O LEU A 40 -3.854 -3.967 0.566 1.00 0.00 O ATOM 622 CB LEU A 40 -3.105 -5.396 -2.215 1.00 0.00 C ATOM 623 CG LEU A 40 -1.639 -5.579 -2.613 1.00 0.00 C ATOM 624 CD1 LEU A 40 -1.487 -5.638 -4.134 1.00 0.00 C ATOM 625 CD2 LEU A 40 -0.763 -4.490 -1.991 1.00 0.00 C ATOM 0 H LEU A 40 -4.606 -7.367 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.551 -5.995 -0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.727 -5.912 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.349 -4.336 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.294 -6.535 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.435 -5.768 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.062 -6.477 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.855 -4.710 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.274 -4.643 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.099 -3.512 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.839 -4.538 -0.905 1.00 0.00 H new ATOM 637 N GLN A 41 -5.661 -5.170 -0.068 1.00 0.00 N ATOM 638 CA GLN A 41 -6.610 -4.321 0.632 1.00 0.00 C ATOM 639 C GLN A 41 -6.741 -4.762 2.091 1.00 0.00 C ATOM 640 O GLN A 41 -6.811 -3.928 2.993 1.00 0.00 O ATOM 641 CB GLN A 41 -7.971 -4.326 -0.067 1.00 0.00 C ATOM 642 CG GLN A 41 -8.793 -5.549 0.344 1.00 0.00 C ATOM 643 CD GLN A 41 -10.027 -5.705 -0.547 1.00 0.00 C ATOM 644 OE1 GLN A 41 -10.027 -6.424 -1.533 1.00 0.00 O ATOM 645 NE2 GLN A 41 -11.077 -4.992 -0.147 1.00 0.00 N ATOM 0 H GLN A 41 -6.079 -5.955 -0.568 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.234 -3.298 0.614 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.516 -3.416 0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.829 -4.325 -1.148 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.176 -6.445 0.277 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.102 -5.451 1.385 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.010 -4.410 0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.949 -5.028 -0.675 1.00 0.00 H new ATOM 654 N GLU A 42 -6.772 -6.074 2.279 1.00 0.00 N ATOM 655 CA GLU A 42 -6.894 -6.636 3.613 1.00 0.00 C ATOM 656 C GLU A 42 -5.590 -6.445 4.391 1.00 0.00 C ATOM 657 O GLU A 42 -5.597 -6.405 5.620 1.00 0.00 O ATOM 658 CB GLU A 42 -7.283 -8.115 3.551 1.00 0.00 C ATOM 659 CG GLU A 42 -8.531 -8.317 2.689 1.00 0.00 C ATOM 660 CD GLU A 42 -9.805 -8.148 3.519 1.00 0.00 C ATOM 661 OE1 GLU A 42 -10.085 -6.990 3.898 1.00 0.00 O ATOM 662 OE2 GLU A 42 -10.469 -9.180 3.755 1.00 0.00 O ATOM 0 H GLU A 42 -6.715 -6.763 1.529 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.689 -6.106 4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.456 -8.696 3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.468 -8.489 4.558 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.530 -7.600 1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.512 -9.312 2.244 1.00 0.00 H new ATOM 669 N ALA A 43 -4.503 -6.331 3.642 1.00 0.00 N ATOM 670 CA ALA A 43 -3.195 -6.145 4.246 1.00 0.00 C ATOM 671 C ALA A 43 -2.957 -4.653 4.487 1.00 0.00 C ATOM 672 O ALA A 43 -2.188 -4.278 5.371 1.00 0.00 O ATOM 673 CB ALA A 43 -2.124 -6.769 3.349 1.00 0.00 C ATOM 0 H ALA A 43 -4.501 -6.364 2.623 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.144 -6.647 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.143 -6.629 3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.322 -7.835 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.143 -6.288 2.371 1.00 0.00 H new ATOM 679 N LEU A 44 -3.631 -3.842 3.685 1.00 0.00 N ATOM 680 CA LEU A 44 -3.502 -2.399 3.799 1.00 0.00 C ATOM 681 C LEU A 44 -4.643 -1.857 4.663 1.00 0.00 C ATOM 682 O LEU A 44 -4.588 -0.719 5.127 1.00 0.00 O ATOM 683 CB LEU A 44 -3.421 -1.756 2.413 1.00 0.00 C ATOM 684 CG LEU A 44 -2.168 -2.079 1.597 1.00 0.00 C ATOM 685 CD1 LEU A 44 -1.201 -0.893 1.585 1.00 0.00 C ATOM 686 CD2 LEU A 44 -1.498 -3.358 2.102 1.00 0.00 C ATOM 0 H LEU A 44 -4.268 -4.157 2.953 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.570 -2.138 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.294 -2.066 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.485 -0.674 2.532 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.470 -2.260 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.319 -1.149 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.693 -0.027 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.902 -0.657 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.610 -3.564 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.211 -3.231 3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.195 -4.192 2.016 1.00 0.00 H new ATOM 698 N GLN A 45 -5.650 -2.697 4.852 1.00 0.00 N ATOM 699 CA GLN A 45 -6.802 -2.316 5.651 1.00 0.00 C ATOM 700 C GLN A 45 -6.354 -1.833 7.032 1.00 0.00 C ATOM 701 O GLN A 45 -6.767 -0.767 7.486 1.00 0.00 O ATOM 702 CB GLN A 45 -7.794 -3.475 5.771 1.00 0.00 C ATOM 703 CG GLN A 45 -8.995 -3.266 4.846 1.00 0.00 C ATOM 704 CD GLN A 45 -10.285 -3.101 5.652 1.00 0.00 C ATOM 705 OE1 GLN A 45 -11.075 -4.018 5.802 1.00 0.00 O ATOM 706 NE2 GLN A 45 -10.453 -1.883 6.160 1.00 0.00 N ATOM 0 H GLN A 45 -5.692 -3.640 4.466 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.312 -1.495 5.148 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.296 -4.412 5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.135 -3.561 6.803 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.833 -2.383 4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.090 -4.116 4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.752 -1.161 5.996 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.283 -1.671 6.714 1.00 0.00 H new ATOM 715 N PRO A 46 -5.491 -2.663 7.679 1.00 0.00 N ATOM 716 CA PRO A 46 -4.982 -2.332 8.999 1.00 0.00 C ATOM 717 C PRO A 46 -3.920 -1.234 8.918 1.00 0.00 C ATOM 718 O PRO A 46 -3.412 -0.779 9.941 1.00 0.00 O ATOM 719 CB PRO A 46 -4.443 -3.640 9.553 1.00 0.00 C ATOM 720 CG PRO A 46 -4.247 -4.551 8.352 1.00 0.00 C ATOM 721 CD PRO A 46 -4.980 -3.933 7.173 1.00 0.00 C ATOM 0 HA PRO A 46 -5.751 -1.924 9.655 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.503 -3.483 10.082 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.140 -4.079 10.267 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.186 -4.662 8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.634 -5.548 8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.311 -3.781 6.326 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.789 -4.577 6.828 1.00 0.00 H new ATOM 729 N ILE A 47 -3.614 -0.840 7.690 1.00 0.00 N ATOM 730 CA ILE A 47 -2.621 0.195 7.461 1.00 0.00 C ATOM 731 C ILE A 47 -3.330 1.523 7.185 1.00 0.00 C ATOM 732 O ILE A 47 -2.962 2.555 7.745 1.00 0.00 O ATOM 733 CB ILE A 47 -1.652 -0.226 6.355 1.00 0.00 C ATOM 734 CG1 ILE A 47 -0.709 -1.328 6.843 1.00 0.00 C ATOM 735 CG2 ILE A 47 -0.889 0.980 5.805 1.00 0.00 C ATOM 736 CD1 ILE A 47 0.015 -0.903 8.122 1.00 0.00 C ATOM 0 H ILE A 47 -4.037 -1.220 6.843 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.008 0.338 8.351 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.233 -0.641 5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.275 -2.241 7.028 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.021 -1.557 6.067 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.207 0.652 5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.596 1.701 5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.320 1.448 6.608 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.679 -1.704 8.448 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.600 -0.004 7.928 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.717 -0.698 8.903 1.00 0.00 H new ATOM 748 N LEU A 48 -4.332 1.454 6.322 1.00 0.00 N ATOM 749 CA LEU A 48 -5.095 2.638 5.965 1.00 0.00 C ATOM 750 C LEU A 48 -5.900 3.107 7.179 1.00 0.00 C ATOM 751 O LEU A 48 -6.044 4.307 7.407 1.00 0.00 O ATOM 752 CB LEU A 48 -5.952 2.369 4.726 1.00 0.00 C ATOM 753 CG LEU A 48 -5.210 1.831 3.501 1.00 0.00 C ATOM 754 CD1 LEU A 48 -6.179 1.162 2.524 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.389 2.933 2.830 1.00 0.00 C ATOM 0 H LEU A 48 -4.634 0.597 5.859 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.426 3.454 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.732 1.657 4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.451 3.297 4.445 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.509 1.066 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.626 0.788 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.681 0.332 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.921 1.889 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.872 2.524 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.052 3.738 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.658 3.324 3.537 1.00 0.00 H new ATOM 767 N ALA A 49 -6.402 2.135 7.927 1.00 0.00 N ATOM 768 CA ALA A 49 -7.188 2.433 9.112 1.00 0.00 C ATOM 769 C ALA A 49 -6.282 3.057 10.176 1.00 0.00 C ATOM 770 O ALA A 49 -6.720 3.912 10.945 1.00 0.00 O ATOM 771 CB ALA A 49 -7.872 1.157 9.606 1.00 0.00 C ATOM 0 H ALA A 49 -6.280 1.141 7.735 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.972 3.155 8.881 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.462 1.381 10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.526 0.769 8.825 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.116 0.410 9.850 1.00 0.00 H new ATOM 777 N LYS A 50 -5.036 2.607 10.185 1.00 0.00 N ATOM 778 CA LYS A 50 -4.065 3.111 11.141 1.00 0.00 C ATOM 779 C LYS A 50 -3.381 4.350 10.562 1.00 0.00 C ATOM 780 O LYS A 50 -2.504 4.934 11.197 1.00 0.00 O ATOM 781 CB LYS A 50 -3.090 2.004 11.548 1.00 0.00 C ATOM 782 CG LYS A 50 -2.443 2.313 12.899 1.00 0.00 C ATOM 783 CD LYS A 50 -0.937 2.047 12.860 1.00 0.00 C ATOM 784 CE LYS A 50 -0.457 1.417 14.169 1.00 0.00 C ATOM 785 NZ LYS A 50 0.499 2.314 14.856 1.00 0.00 N ATOM 0 H LYS A 50 -4.676 1.899 9.545 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.561 3.421 12.060 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.618 1.052 11.603 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.317 1.897 10.787 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.625 3.355 13.164 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.904 1.702 13.675 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.703 1.385 12.026 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.404 2.981 12.685 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.310 1.219 14.818 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.018 0.457 13.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.815 1.871 15.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.321 2.482 14.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.034 3.220 15.068 1.00 0.00 H new ATOM 799 N HIS A 51 -3.808 4.717 9.362 1.00 0.00 N ATOM 800 CA HIS A 51 -3.248 5.877 8.690 1.00 0.00 C ATOM 801 C HIS A 51 -4.373 6.837 8.301 1.00 0.00 C ATOM 802 O HIS A 51 -4.142 7.814 7.590 1.00 0.00 O ATOM 803 CB HIS A 51 -2.392 5.451 7.496 1.00 0.00 C ATOM 804 CG HIS A 51 -1.043 4.888 7.876 1.00 0.00 C ATOM 805 ND1 HIS A 51 -0.684 3.575 7.632 1.00 0.00 N ATOM 806 CD2 HIS A 51 0.028 5.475 8.484 1.00 0.00 C ATOM 807 CE1 HIS A 51 0.550 3.389 8.078 1.00 0.00 C ATOM 808 NE2 HIS A 51 0.989 4.568 8.606 1.00 0.00 N ATOM 0 H HIS A 51 -4.536 4.231 8.838 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.582 6.410 9.369 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.937 4.703 6.920 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.244 6.311 6.843 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -1.269 2.870 7.185 1.00 0.00 H new ATOM 0 HD2 HIS A 51 0.084 6.503 8.810 1.00 0.00 H new ATOM 0 HE1 HIS A 51 1.110 2.466 8.032 1.00 0.00 H new ATOM 816 N GLY A 52 -5.567 6.526 8.784 1.00 0.00 N ATOM 817 CA GLY A 52 -6.729 7.350 8.496 1.00 0.00 C ATOM 818 C GLY A 52 -6.969 7.451 6.988 1.00 0.00 C ATOM 819 O GLY A 52 -7.651 8.363 6.524 1.00 0.00 O ATOM 0 H GLY A 52 -5.755 5.715 9.373 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.609 6.926 8.980 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.585 8.347 8.913 1.00 0.00 H new ATOM 823 N LEU A 53 -6.394 6.502 6.264 1.00 0.00 N ATOM 824 CA LEU A 53 -6.536 6.473 4.819 1.00 0.00 C ATOM 825 C LEU A 53 -7.715 5.572 4.445 1.00 0.00 C ATOM 826 O LEU A 53 -8.494 5.172 5.309 1.00 0.00 O ATOM 827 CB LEU A 53 -5.217 6.066 4.159 1.00 0.00 C ATOM 828 CG LEU A 53 -4.004 6.937 4.489 1.00 0.00 C ATOM 829 CD1 LEU A 53 -2.720 6.325 3.928 1.00 0.00 C ATOM 830 CD2 LEU A 53 -4.213 8.374 4.006 1.00 0.00 C ATOM 0 H LEU A 53 -5.828 5.747 6.652 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.762 7.469 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.991 5.039 4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.358 6.070 3.078 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.895 6.974 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.873 6.964 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.568 5.337 4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.802 6.237 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.336 8.972 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.362 8.377 2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.091 8.798 4.494 1.00 0.00 H new ATOM 842 N SER A 54 -7.809 5.279 3.156 1.00 0.00 N ATOM 843 CA SER A 54 -8.880 4.433 2.657 1.00 0.00 C ATOM 844 C SER A 54 -8.426 3.707 1.390 1.00 0.00 C ATOM 845 O SER A 54 -7.434 4.091 0.772 1.00 0.00 O ATOM 846 CB SER A 54 -10.143 5.251 2.377 1.00 0.00 C ATOM 847 OG SER A 54 -10.586 5.104 1.031 1.00 0.00 O ATOM 0 H SER A 54 -7.161 5.612 2.442 1.00 0.00 H new ATOM 0 HA SER A 54 -9.120 3.696 3.424 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.936 4.938 3.056 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.946 6.303 2.581 1.00 0.00 H new ATOM 0 HG SER A 54 -11.395 5.640 0.892 1.00 0.00 H new ATOM 853 N LEU A 55 -9.174 2.671 1.040 1.00 0.00 N ATOM 854 CA LEU A 55 -8.860 1.887 -0.143 1.00 0.00 C ATOM 855 C LEU A 55 -9.417 2.595 -1.380 1.00 0.00 C ATOM 856 O LEU A 55 -8.959 2.354 -2.496 1.00 0.00 O ATOM 857 CB LEU A 55 -9.358 0.450 0.019 1.00 0.00 C ATOM 858 CG LEU A 55 -8.720 -0.357 1.152 1.00 0.00 C ATOM 859 CD1 LEU A 55 -9.732 -1.319 1.778 1.00 0.00 C ATOM 860 CD2 LEU A 55 -7.463 -1.083 0.667 1.00 0.00 C ATOM 0 H LEU A 55 -9.996 2.356 1.555 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.781 1.813 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.436 0.476 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.189 -0.080 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.410 0.337 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.253 -1.880 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.571 -0.752 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.095 -2.011 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.029 -1.649 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.726 -1.764 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.738 -0.354 0.306 1.00 0.00 H new ATOM 872 N ASP A 56 -10.397 3.454 -1.141 1.00 0.00 N ATOM 873 CA ASP A 56 -11.021 4.198 -2.222 1.00 0.00 C ATOM 874 C ASP A 56 -10.464 5.623 -2.242 1.00 0.00 C ATOM 875 O ASP A 56 -11.050 6.513 -2.855 1.00 0.00 O ATOM 876 CB ASP A 56 -12.536 4.285 -2.028 1.00 0.00 C ATOM 877 CG ASP A 56 -13.352 4.322 -3.322 1.00 0.00 C ATOM 878 OD1 ASP A 56 -12.840 4.910 -4.299 1.00 0.00 O ATOM 879 OD2 ASP A 56 -14.469 3.762 -3.304 1.00 0.00 O ATOM 0 H ASP A 56 -10.774 3.651 -0.214 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.807 3.679 -3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.861 3.430 -1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.762 5.180 -1.448 1.00 0.00 H new ATOM 884 N GLN A 57 -9.339 5.794 -1.563 1.00 0.00 N ATOM 885 CA GLN A 57 -8.697 7.096 -1.495 1.00 0.00 C ATOM 886 C GLN A 57 -7.303 7.034 -2.122 1.00 0.00 C ATOM 887 O GLN A 57 -7.008 7.770 -3.062 1.00 0.00 O ATOM 888 CB GLN A 57 -8.628 7.598 -0.051 1.00 0.00 C ATOM 889 CG GLN A 57 -9.877 8.403 0.310 1.00 0.00 C ATOM 890 CD GLN A 57 -9.854 9.781 -0.356 1.00 0.00 C ATOM 891 OE1 GLN A 57 -9.801 9.912 -1.567 1.00 0.00 O ATOM 892 NE2 GLN A 57 -9.896 10.797 0.502 1.00 0.00 N ATOM 0 H GLN A 57 -8.856 5.053 -1.055 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.298 7.806 -2.063 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.528 6.751 0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.741 8.218 0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.768 7.859 -0.003 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.939 8.519 1.392 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.940 10.616 1.505 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.885 11.757 0.157 1.00 0.00 H new ATOM 901 N VAL A 58 -6.483 6.149 -1.575 1.00 0.00 N ATOM 902 CA VAL A 58 -5.127 5.980 -2.069 1.00 0.00 C ATOM 903 C VAL A 58 -5.144 5.062 -3.293 1.00 0.00 C ATOM 904 O VAL A 58 -6.016 4.203 -3.416 1.00 0.00 O ATOM 905 CB VAL A 58 -4.221 5.466 -0.949 1.00 0.00 C ATOM 906 CG1 VAL A 58 -4.375 6.316 0.314 1.00 0.00 C ATOM 907 CG2 VAL A 58 -4.499 3.990 -0.653 1.00 0.00 C ATOM 0 H VAL A 58 -6.731 5.541 -0.794 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.716 6.938 -2.387 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.188 5.552 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.720 5.929 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.105 7.349 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.409 6.276 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.842 3.649 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.538 3.870 -0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.316 3.398 -1.550 1.00 0.00 H new ATOM 917 N VAL A 59 -4.171 5.275 -4.167 1.00 0.00 N ATOM 918 CA VAL A 59 -4.064 4.477 -5.377 1.00 0.00 C ATOM 919 C VAL A 59 -2.690 3.805 -5.419 1.00 0.00 C ATOM 920 O VAL A 59 -1.668 4.480 -5.527 1.00 0.00 O ATOM 921 CB VAL A 59 -4.342 5.347 -6.604 1.00 0.00 C ATOM 922 CG1 VAL A 59 -4.088 4.569 -7.897 1.00 0.00 C ATOM 923 CG2 VAL A 59 -5.766 5.905 -6.570 1.00 0.00 C ATOM 0 H VAL A 59 -3.450 5.989 -4.061 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.813 3.686 -5.380 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.652 6.190 -6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.293 5.211 -8.754 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.048 4.244 -7.928 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.742 3.697 -7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.937 6.520 -7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.479 5.081 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.897 6.512 -5.675 1.00 0.00 H new ATOM 933 N LEU A 60 -2.711 2.483 -5.331 1.00 0.00 N ATOM 934 CA LEU A 60 -1.480 1.712 -5.358 1.00 0.00 C ATOM 935 C LEU A 60 -1.211 1.238 -6.788 1.00 0.00 C ATOM 936 O LEU A 60 -2.125 0.798 -7.482 1.00 0.00 O ATOM 937 CB LEU A 60 -1.536 0.576 -4.334 1.00 0.00 C ATOM 938 CG LEU A 60 -0.470 -0.512 -4.479 1.00 0.00 C ATOM 939 CD1 LEU A 60 -0.708 -1.349 -5.737 1.00 0.00 C ATOM 940 CD2 LEU A 60 0.936 0.092 -4.450 1.00 0.00 C ATOM 0 H LEU A 60 -3.561 1.927 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.635 2.334 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.452 1.008 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.517 0.106 -4.396 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.550 -1.185 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.064 -2.115 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.687 -1.825 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.671 -0.705 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.675 -0.702 -4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.045 0.800 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.090 0.609 -3.503 1.00 0.00 H new ATOM 952 N HIS A 61 0.049 1.345 -7.185 1.00 0.00 N ATOM 953 CA HIS A 61 0.450 0.933 -8.520 1.00 0.00 C ATOM 954 C HIS A 61 1.966 1.075 -8.667 1.00 0.00 C ATOM 955 O HIS A 61 2.514 2.157 -8.464 1.00 0.00 O ATOM 956 CB HIS A 61 -0.325 1.712 -9.584 1.00 0.00 C ATOM 957 CG HIS A 61 0.292 3.044 -9.941 1.00 0.00 C ATOM 958 ND1 HIS A 61 1.252 3.185 -10.928 1.00 0.00 N ATOM 959 CD2 HIS A 61 0.076 4.291 -9.433 1.00 0.00 C ATOM 960 CE1 HIS A 61 1.591 4.464 -11.002 1.00 0.00 C ATOM 961 NE2 HIS A 61 0.861 5.147 -10.074 1.00 0.00 N ATOM 0 H HIS A 61 0.805 1.711 -6.606 1.00 0.00 H new ATOM 0 HA HIS A 61 0.203 -0.118 -8.670 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.397 1.103 -10.485 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.342 1.878 -9.229 1.00 0.00 H new ATOM 0 HD1 HIS A 61 1.634 2.432 -11.501 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.617 4.540 -8.643 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.317 4.890 -11.678 1.00 0.00 H new ATOM 969 N ARG A 62 2.601 -0.033 -9.018 1.00 0.00 N ATOM 970 CA ARG A 62 4.043 -0.046 -9.195 1.00 0.00 C ATOM 971 C ARG A 62 4.499 1.218 -9.926 1.00 0.00 C ATOM 972 O ARG A 62 3.707 1.863 -10.611 1.00 0.00 O ATOM 973 CB ARG A 62 4.490 -1.276 -9.988 1.00 0.00 C ATOM 974 CG ARG A 62 4.455 -2.533 -9.117 1.00 0.00 C ATOM 975 CD ARG A 62 4.443 -3.797 -9.978 1.00 0.00 C ATOM 976 NE ARG A 62 4.006 -4.957 -9.170 1.00 0.00 N ATOM 977 CZ ARG A 62 4.820 -5.672 -8.381 1.00 0.00 C ATOM 978 NH1 ARG A 62 6.118 -5.351 -8.291 1.00 0.00 N ATOM 979 NH2 ARG A 62 4.336 -6.709 -7.683 1.00 0.00 N ATOM 0 H ARG A 62 2.143 -0.929 -9.185 1.00 0.00 H new ATOM 0 HA ARG A 62 4.498 -0.082 -8.205 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.841 -1.411 -10.853 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.500 -1.121 -10.368 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.322 -2.547 -8.457 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.570 -2.514 -8.480 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.773 -3.662 -10.827 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.438 -3.980 -10.383 1.00 0.00 H new ATOM 0 HE ARG A 62 3.024 -5.229 -9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.486 -4.563 -8.823 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.737 -5.895 -7.691 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.348 -6.954 -7.752 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.955 -7.253 -7.083 1.00 0.00 H new ATOM 993 N PRO A 63 5.809 1.542 -9.751 1.00 0.00 N ATOM 994 CA PRO A 63 6.380 2.718 -10.386 1.00 0.00 C ATOM 995 C PRO A 63 6.603 2.479 -11.881 1.00 0.00 C ATOM 996 O PRO A 63 7.521 1.758 -12.268 1.00 0.00 O ATOM 997 CB PRO A 63 7.670 2.987 -9.629 1.00 0.00 C ATOM 998 CG PRO A 63 8.007 1.692 -8.908 1.00 0.00 C ATOM 999 CD PRO A 63 6.776 0.802 -8.947 1.00 0.00 C ATOM 0 HA PRO A 63 5.719 3.584 -10.340 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.470 3.274 -10.311 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.544 3.807 -8.922 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.851 1.197 -9.388 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.299 1.894 -7.878 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.002 -0.167 -9.392 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.394 0.611 -7.944 1.00 0.00 H new ATOM 1007 N GLY A 64 5.747 3.098 -12.681 1.00 0.00 N ATOM 1008 CA GLY A 64 5.840 2.962 -14.124 1.00 0.00 C ATOM 1009 C GLY A 64 4.474 2.634 -14.733 1.00 0.00 C ATOM 1010 O GLY A 64 4.015 3.322 -15.643 1.00 0.00 O ATOM 0 H GLY A 64 4.986 3.695 -12.357 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.222 3.887 -14.556 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.552 2.175 -14.374 1.00 0.00 H new ATOM 1014 N GLU A 65 3.865 1.582 -14.205 1.00 0.00 N ATOM 1015 CA GLU A 65 2.562 1.154 -14.685 1.00 0.00 C ATOM 1016 C GLU A 65 1.598 2.342 -14.732 1.00 0.00 C ATOM 1017 O GLU A 65 1.859 3.383 -14.132 1.00 0.00 O ATOM 1018 CB GLU A 65 2.001 0.027 -13.816 1.00 0.00 C ATOM 1019 CG GLU A 65 2.862 -1.232 -13.929 1.00 0.00 C ATOM 1020 CD GLU A 65 2.990 -1.680 -15.386 1.00 0.00 C ATOM 1021 OE1 GLU A 65 1.938 -1.728 -16.060 1.00 0.00 O ATOM 1022 OE2 GLU A 65 4.137 -1.965 -15.794 1.00 0.00 O ATOM 0 H GLU A 65 4.250 1.014 -13.450 1.00 0.00 H new ATOM 0 HA GLU A 65 2.678 0.765 -15.696 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.959 0.351 -12.776 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.979 -0.198 -14.121 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.852 -1.038 -13.516 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.421 -2.033 -13.336 1.00 0.00 H new ATOM 1029 N LYS A 66 0.502 2.145 -15.451 1.00 0.00 N ATOM 1030 CA LYS A 66 -0.502 3.186 -15.585 1.00 0.00 C ATOM 1031 C LYS A 66 -1.705 2.845 -14.703 1.00 0.00 C ATOM 1032 O LYS A 66 -1.954 3.513 -13.701 1.00 0.00 O ATOM 1033 CB LYS A 66 -0.860 3.400 -17.057 1.00 0.00 C ATOM 1034 CG LYS A 66 -1.885 4.525 -17.214 1.00 0.00 C ATOM 1035 CD LYS A 66 -3.302 3.961 -17.339 1.00 0.00 C ATOM 1036 CE LYS A 66 -4.274 4.712 -16.426 1.00 0.00 C ATOM 1037 NZ LYS A 66 -5.436 5.205 -17.199 1.00 0.00 N ATOM 0 H LYS A 66 0.288 1.280 -15.947 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.109 4.141 -15.235 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.040 3.642 -17.622 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.261 2.477 -17.475 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.830 5.194 -16.355 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.647 5.119 -18.097 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.637 4.036 -18.373 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.300 2.902 -17.081 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.614 4.053 -15.627 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.763 5.550 -15.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.085 5.712 -16.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.108 5.850 -17.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.933 4.400 -17.631 1.00 0.00 H new ATOM 1051 N GLN A 67 -2.419 1.805 -15.109 1.00 0.00 N ATOM 1052 CA GLN A 67 -3.590 1.366 -14.368 1.00 0.00 C ATOM 1053 C GLN A 67 -3.216 1.063 -12.916 1.00 0.00 C ATOM 1054 O GLN A 67 -2.089 0.661 -12.632 1.00 0.00 O ATOM 1055 CB GLN A 67 -4.236 0.149 -15.034 1.00 0.00 C ATOM 1056 CG GLN A 67 -5.754 0.316 -15.126 1.00 0.00 C ATOM 1057 CD GLN A 67 -6.264 -0.070 -16.516 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -5.504 -0.341 -17.432 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -7.590 -0.080 -16.622 1.00 0.00 N ATOM 0 H GLN A 67 -2.209 1.254 -15.941 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.323 2.173 -14.373 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.820 0.013 -16.032 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.999 -0.750 -14.465 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.238 -0.304 -14.372 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.024 1.350 -14.910 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.168 0.157 -15.816 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.029 -0.325 -17.510 1.00 0.00 H new ATOM 1068 N PRO A 68 -4.210 1.273 -12.011 1.00 0.00 N ATOM 1069 CA PRO A 68 -3.997 1.027 -10.595 1.00 0.00 C ATOM 1070 C PRO A 68 -3.993 -0.473 -10.294 1.00 0.00 C ATOM 1071 O PRO A 68 -4.918 -1.189 -10.675 1.00 0.00 O ATOM 1072 CB PRO A 68 -5.122 1.770 -9.893 1.00 0.00 C ATOM 1073 CG PRO A 68 -6.184 2.017 -10.952 1.00 0.00 C ATOM 1074 CD PRO A 68 -5.557 1.749 -12.311 1.00 0.00 C ATOM 0 HA PRO A 68 -3.026 1.381 -10.248 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.523 1.182 -9.068 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.766 2.710 -9.471 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.042 1.364 -10.792 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.549 3.043 -10.895 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.125 1.005 -12.869 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.531 2.653 -12.920 1.00 0.00 H new ATOM 1082 N MET A 69 -2.941 -0.905 -9.614 1.00 0.00 N ATOM 1083 CA MET A 69 -2.804 -2.306 -9.257 1.00 0.00 C ATOM 1084 C MET A 69 -3.881 -2.725 -8.254 1.00 0.00 C ATOM 1085 O MET A 69 -3.739 -2.496 -7.054 1.00 0.00 O ATOM 1086 CB MET A 69 -1.420 -2.546 -8.650 1.00 0.00 C ATOM 1087 CG MET A 69 -0.413 -2.959 -9.726 1.00 0.00 C ATOM 1088 SD MET A 69 0.209 -4.597 -9.384 1.00 0.00 S ATOM 1089 CE MET A 69 0.752 -4.376 -7.698 1.00 0.00 C ATOM 0 H MET A 69 -2.175 -0.308 -9.301 1.00 0.00 H new ATOM 0 HA MET A 69 -2.923 -2.904 -10.160 1.00 0.00 H new ATOM 0 HB2 MET A 69 -1.075 -1.639 -8.153 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.483 -3.323 -7.888 1.00 0.00 H new ATOM 0 HG2 MET A 69 -0.888 -2.939 -10.707 1.00 0.00 H new ATOM 0 HG3 MET A 69 0.412 -2.247 -9.756 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.687 -4.914 -7.543 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.907 -3.315 -7.502 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.006 -4.763 -7.018 1.00 0.00 H new ATOM 1099 N ASP A 70 -4.933 -3.331 -8.783 1.00 0.00 N ATOM 1100 CA ASP A 70 -6.034 -3.784 -7.949 1.00 0.00 C ATOM 1101 C ASP A 70 -5.475 -4.385 -6.657 1.00 0.00 C ATOM 1102 O ASP A 70 -4.380 -4.945 -6.652 1.00 0.00 O ATOM 1103 CB ASP A 70 -6.853 -4.865 -8.657 1.00 0.00 C ATOM 1104 CG ASP A 70 -7.511 -4.424 -9.966 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -7.986 -3.268 -10.001 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -7.523 -5.252 -10.903 1.00 0.00 O ATOM 0 H ASP A 70 -5.047 -3.519 -9.779 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.673 -2.926 -7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.203 -5.715 -8.863 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.630 -5.215 -7.977 1.00 0.00 H new ATOM 1111 N LEU A 71 -6.253 -4.247 -5.594 1.00 0.00 N ATOM 1112 CA LEU A 71 -5.850 -4.769 -4.299 1.00 0.00 C ATOM 1113 C LEU A 71 -6.515 -6.129 -4.073 1.00 0.00 C ATOM 1114 O LEU A 71 -6.671 -6.566 -2.934 1.00 0.00 O ATOM 1115 CB LEU A 71 -6.144 -3.750 -3.196 1.00 0.00 C ATOM 1116 CG LEU A 71 -5.766 -2.300 -3.504 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -6.791 -1.330 -2.914 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -4.345 -1.991 -3.030 1.00 0.00 C ATOM 0 H LEU A 71 -7.160 -3.781 -5.603 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.773 -4.932 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.210 -3.787 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.616 -4.058 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.780 -2.165 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.499 -0.306 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.773 -1.534 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.833 -1.458 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.102 -0.954 -3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.278 -2.148 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.641 -2.651 -3.537 1.00 0.00 H new ATOM 1130 N GLU A 72 -6.888 -6.760 -5.177 1.00 0.00 N ATOM 1131 CA GLU A 72 -7.531 -8.061 -5.113 1.00 0.00 C ATOM 1132 C GLU A 72 -6.480 -9.171 -5.053 1.00 0.00 C ATOM 1133 O GLU A 72 -6.776 -10.290 -4.636 1.00 0.00 O ATOM 1134 CB GLU A 72 -8.476 -8.264 -6.299 1.00 0.00 C ATOM 1135 CG GLU A 72 -7.714 -8.770 -7.526 1.00 0.00 C ATOM 1136 CD GLU A 72 -8.291 -8.175 -8.813 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -9.302 -7.449 -8.699 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -7.707 -8.460 -9.881 1.00 0.00 O ATOM 0 H GLU A 72 -6.757 -6.394 -6.120 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.129 -8.105 -4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.255 -8.978 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.974 -7.324 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.660 -8.505 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.767 -9.858 -7.568 1.00 0.00 H new ATOM 1145 N ASN A 73 -5.273 -8.823 -5.476 1.00 0.00 N ATOM 1146 CA ASN A 73 -4.177 -9.776 -5.475 1.00 0.00 C ATOM 1147 C ASN A 73 -3.540 -9.814 -4.084 1.00 0.00 C ATOM 1148 O ASN A 73 -3.579 -8.825 -3.353 1.00 0.00 O ATOM 1149 CB ASN A 73 -3.095 -9.371 -6.479 1.00 0.00 C ATOM 1150 CG ASN A 73 -3.703 -9.087 -7.854 1.00 0.00 C ATOM 1151 OD1 ASN A 73 -4.288 -9.947 -8.492 1.00 0.00 O ATOM 1152 ND2 ASN A 73 -3.531 -7.837 -8.274 1.00 0.00 N ATOM 0 H ASN A 73 -5.031 -7.894 -5.822 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.578 -10.752 -5.750 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.572 -8.485 -6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.354 -10.166 -6.562 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.899 -7.548 -9.181 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.031 -7.167 -7.690 1.00 0.00 H new ATOM 1159 N PRO A 74 -2.954 -10.995 -3.752 1.00 0.00 N ATOM 1160 CA PRO A 74 -2.310 -11.175 -2.462 1.00 0.00 C ATOM 1161 C PRO A 74 -0.961 -10.453 -2.418 1.00 0.00 C ATOM 1162 O PRO A 74 -0.197 -10.498 -3.381 1.00 0.00 O ATOM 1163 CB PRO A 74 -2.185 -12.680 -2.291 1.00 0.00 C ATOM 1164 CG PRO A 74 -2.336 -13.271 -3.683 1.00 0.00 C ATOM 1165 CD PRO A 74 -2.889 -12.187 -4.593 1.00 0.00 C ATOM 0 HA PRO A 74 -2.882 -10.741 -1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.221 -12.945 -1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.953 -13.062 -1.619 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.374 -13.626 -4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.006 -14.130 -3.662 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.243 -12.028 -5.457 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.873 -12.456 -4.976 1.00 0.00 H new ATOM 1173 N VAL A 75 -0.710 -9.806 -1.289 1.00 0.00 N ATOM 1174 CA VAL A 75 0.533 -9.076 -1.106 1.00 0.00 C ATOM 1175 C VAL A 75 1.706 -9.958 -1.541 1.00 0.00 C ATOM 1176 O VAL A 75 2.754 -9.451 -1.938 1.00 0.00 O ATOM 1177 CB VAL A 75 0.650 -8.597 0.342 1.00 0.00 C ATOM 1178 CG1 VAL A 75 -0.315 -7.442 0.617 1.00 0.00 C ATOM 1179 CG2 VAL A 75 0.420 -9.750 1.321 1.00 0.00 C ATOM 0 H VAL A 75 -1.346 -9.772 -0.492 1.00 0.00 H new ATOM 0 HA VAL A 75 0.548 -8.183 -1.732 1.00 0.00 H new ATOM 0 HB VAL A 75 1.665 -8.228 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.212 -7.120 1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.084 -6.609 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.338 -7.773 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.509 -9.382 2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.577 -10.163 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.164 -10.527 1.149 1.00 0.00 H new ATOM 1189 N SER A 76 1.489 -11.262 -1.451 1.00 0.00 N ATOM 1190 CA SER A 76 2.515 -12.218 -1.831 1.00 0.00 C ATOM 1191 C SER A 76 3.131 -11.820 -3.173 1.00 0.00 C ATOM 1192 O SER A 76 4.317 -12.048 -3.408 1.00 0.00 O ATOM 1193 CB SER A 76 1.944 -13.636 -1.908 1.00 0.00 C ATOM 1194 OG SER A 76 1.180 -13.840 -3.093 1.00 0.00 O ATOM 0 H SER A 76 0.618 -11.679 -1.121 1.00 0.00 H new ATOM 0 HA SER A 76 3.292 -12.209 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.760 -14.358 -1.874 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.317 -13.822 -1.036 1.00 0.00 H new ATOM 0 HG SER A 76 0.834 -14.757 -3.106 1.00 0.00 H new ATOM 1200 N SER A 77 2.298 -11.233 -4.020 1.00 0.00 N ATOM 1201 CA SER A 77 2.746 -10.801 -5.333 1.00 0.00 C ATOM 1202 C SER A 77 3.590 -9.531 -5.206 1.00 0.00 C ATOM 1203 O SER A 77 4.606 -9.387 -5.885 1.00 0.00 O ATOM 1204 CB SER A 77 1.559 -10.558 -6.267 1.00 0.00 C ATOM 1205 OG SER A 77 1.490 -11.531 -7.306 1.00 0.00 O ATOM 0 H SER A 77 1.315 -11.046 -3.822 1.00 0.00 H new ATOM 0 HA SER A 77 3.357 -11.594 -5.764 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.634 -10.577 -5.690 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.641 -9.564 -6.706 1.00 0.00 H new ATOM 0 HG SER A 77 0.718 -11.343 -7.880 1.00 0.00 H new ATOM 1211 N VAL A 78 3.139 -8.644 -4.332 1.00 0.00 N ATOM 1212 CA VAL A 78 3.840 -7.391 -4.108 1.00 0.00 C ATOM 1213 C VAL A 78 4.886 -7.586 -3.008 1.00 0.00 C ATOM 1214 O VAL A 78 5.016 -6.751 -2.115 1.00 0.00 O ATOM 1215 CB VAL A 78 2.838 -6.280 -3.789 1.00 0.00 C ATOM 1216 CG1 VAL A 78 1.655 -6.313 -4.760 1.00 0.00 C ATOM 1217 CG2 VAL A 78 2.360 -6.372 -2.339 1.00 0.00 C ATOM 0 H VAL A 78 2.297 -8.768 -3.770 1.00 0.00 H new ATOM 0 HA VAL A 78 4.370 -7.084 -5.010 1.00 0.00 H new ATOM 0 HB VAL A 78 3.347 -5.324 -3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.958 -5.513 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.017 -6.175 -5.779 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.147 -7.274 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.649 -5.571 -2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.877 -7.335 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.213 -6.276 -1.668 1.00 0.00 H new ATOM 1227 N ALA A 79 5.604 -8.695 -3.109 1.00 0.00 N ATOM 1228 CA ALA A 79 6.634 -9.011 -2.134 1.00 0.00 C ATOM 1229 C ALA A 79 7.945 -9.311 -2.862 1.00 0.00 C ATOM 1230 O ALA A 79 8.330 -10.471 -3.004 1.00 0.00 O ATOM 1231 CB ALA A 79 6.171 -10.180 -1.262 1.00 0.00 C ATOM 0 H ALA A 79 5.493 -9.386 -3.851 1.00 0.00 H new ATOM 0 HA ALA A 79 6.810 -8.162 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.944 -10.417 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.252 -9.906 -0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.986 -11.052 -1.890 1.00 0.00 H new ATOM 1237 N SER A 80 8.596 -8.245 -3.305 1.00 0.00 N ATOM 1238 CA SER A 80 9.856 -8.379 -4.016 1.00 0.00 C ATOM 1239 C SER A 80 10.403 -6.997 -4.378 1.00 0.00 C ATOM 1240 O SER A 80 11.536 -6.664 -4.035 1.00 0.00 O ATOM 1241 CB SER A 80 9.690 -9.231 -5.276 1.00 0.00 C ATOM 1242 OG SER A 80 10.943 -9.540 -5.880 1.00 0.00 O ATOM 0 H SER A 80 8.274 -7.285 -3.185 1.00 0.00 H new ATOM 0 HA SER A 80 10.566 -8.883 -3.360 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.172 -10.156 -5.023 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.063 -8.700 -5.993 1.00 0.00 H new ATOM 0 HG SER A 80 10.795 -10.086 -6.680 1.00 0.00 H new ATOM 1248 N GLN A 81 9.571 -6.229 -5.066 1.00 0.00 N ATOM 1249 CA GLN A 81 9.957 -4.890 -5.479 1.00 0.00 C ATOM 1250 C GLN A 81 9.232 -3.844 -4.630 1.00 0.00 C ATOM 1251 O GLN A 81 8.402 -4.188 -3.789 1.00 0.00 O ATOM 1252 CB GLN A 81 9.681 -4.674 -6.968 1.00 0.00 C ATOM 1253 CG GLN A 81 10.836 -5.201 -7.822 1.00 0.00 C ATOM 1254 CD GLN A 81 11.467 -4.076 -8.645 1.00 0.00 C ATOM 1255 OE1 GLN A 81 12.405 -3.418 -8.229 1.00 0.00 O ATOM 1256 NE2 GLN A 81 10.900 -3.893 -9.834 1.00 0.00 N ATOM 0 H GLN A 81 8.631 -6.508 -5.348 1.00 0.00 H new ATOM 0 HA GLN A 81 11.030 -4.778 -5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.757 -5.180 -7.247 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.534 -3.612 -7.164 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.591 -5.654 -7.179 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.473 -5.984 -8.488 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.117 -4.480 -10.121 1.00 0.00 H new ATOM 0 HE22 GLN A 81 11.248 -3.166 -10.459 1.00 0.00 H new ATOM 1265 N THR A 82 9.572 -2.587 -4.879 1.00 0.00 N ATOM 1266 CA THR A 82 8.964 -1.489 -4.148 1.00 0.00 C ATOM 1267 C THR A 82 7.723 -0.980 -4.884 1.00 0.00 C ATOM 1268 O THR A 82 7.734 -0.844 -6.107 1.00 0.00 O ATOM 1269 CB THR A 82 10.031 -0.412 -3.939 1.00 0.00 C ATOM 1270 OG1 THR A 82 10.904 -0.974 -2.963 1.00 0.00 O ATOM 1271 CG2 THR A 82 9.473 0.842 -3.262 1.00 0.00 C ATOM 0 H THR A 82 10.261 -2.305 -5.577 1.00 0.00 H new ATOM 0 HA THR A 82 8.612 -1.813 -3.169 1.00 0.00 H new ATOM 0 HB THR A 82 10.467 -0.141 -4.901 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.770 -0.517 -2.997 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.271 1.574 -3.137 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.683 1.268 -3.880 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.067 0.578 -2.285 1.00 0.00 H new ATOM 1279 N LEU A 83 6.683 -0.712 -4.109 1.00 0.00 N ATOM 1280 CA LEU A 83 5.436 -0.221 -4.672 1.00 0.00 C ATOM 1281 C LEU A 83 5.425 1.308 -4.619 1.00 0.00 C ATOM 1282 O LEU A 83 6.340 1.920 -4.070 1.00 0.00 O ATOM 1283 CB LEU A 83 4.240 -0.870 -3.973 1.00 0.00 C ATOM 1284 CG LEU A 83 4.160 -2.395 -4.058 1.00 0.00 C ATOM 1285 CD1 LEU A 83 3.017 -2.933 -3.195 1.00 0.00 C ATOM 1286 CD2 LEU A 83 4.047 -2.858 -5.512 1.00 0.00 C ATOM 0 H LEU A 83 6.678 -0.825 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 83 5.354 -0.504 -5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.261 -0.585 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.327 -0.454 -4.398 1.00 0.00 H new ATOM 0 HG LEU A 83 5.087 -2.808 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.982 -4.020 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.181 -2.649 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.072 -2.514 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.992 -3.946 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.147 -2.436 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.921 -2.523 -6.070 1.00 0.00 H new ATOM 1298 N VAL A 84 4.379 1.881 -5.197 1.00 0.00 N ATOM 1299 CA VAL A 84 4.237 3.327 -5.222 1.00 0.00 C ATOM 1300 C VAL A 84 2.817 3.702 -4.794 1.00 0.00 C ATOM 1301 O VAL A 84 1.844 3.154 -5.309 1.00 0.00 O ATOM 1302 CB VAL A 84 4.606 3.865 -6.606 1.00 0.00 C ATOM 1303 CG1 VAL A 84 4.391 5.378 -6.681 1.00 0.00 C ATOM 1304 CG2 VAL A 84 6.046 3.497 -6.971 1.00 0.00 C ATOM 0 H VAL A 84 3.622 1.370 -5.651 1.00 0.00 H new ATOM 0 HA VAL A 84 4.924 3.791 -4.514 1.00 0.00 H new ATOM 0 HB VAL A 84 3.945 3.396 -7.335 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.661 5.735 -7.675 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.343 5.607 -6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.016 5.872 -5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.283 3.891 -7.959 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.728 3.925 -6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.154 2.412 -6.978 1.00 0.00 H new ATOM 1314 N LEU A 85 2.743 4.635 -3.856 1.00 0.00 N ATOM 1315 CA LEU A 85 1.459 5.091 -3.352 1.00 0.00 C ATOM 1316 C LEU A 85 1.216 6.529 -3.814 1.00 0.00 C ATOM 1317 O LEU A 85 2.142 7.337 -3.854 1.00 0.00 O ATOM 1318 CB LEU A 85 1.384 4.911 -1.835 1.00 0.00 C ATOM 1319 CG LEU A 85 -0.021 4.912 -1.228 1.00 0.00 C ATOM 1320 CD1 LEU A 85 -0.693 6.276 -1.403 1.00 0.00 C ATOM 1321 CD2 LEU A 85 -0.869 3.777 -1.805 1.00 0.00 C ATOM 0 H LEU A 85 3.552 5.088 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 85 0.652 4.484 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.869 3.970 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.962 5.707 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 85 0.070 4.733 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.690 6.250 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.097 7.042 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.771 6.510 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.862 3.801 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.955 3.900 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.395 2.821 -1.585 1.00 0.00 H new ATOM 1333 N ASP A 86 -0.036 6.805 -4.151 1.00 0.00 N ATOM 1334 CA ASP A 86 -0.412 8.131 -4.609 1.00 0.00 C ATOM 1335 C ASP A 86 -1.624 8.617 -3.810 1.00 0.00 C ATOM 1336 O ASP A 86 -2.765 8.394 -4.211 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.797 8.115 -6.089 1.00 0.00 C ATOM 1338 CG ASP A 86 -0.472 9.398 -6.856 1.00 0.00 C ATOM 1339 OD1 ASP A 86 0.026 10.340 -6.202 1.00 0.00 O ATOM 1340 OD2 ASP A 86 -0.730 9.408 -8.080 1.00 0.00 O ATOM 0 H ASP A 86 -0.802 6.133 -4.116 1.00 0.00 H new ATOM 0 HA ASP A 86 0.443 8.792 -4.467 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.287 7.282 -6.572 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.867 7.923 -6.168 1.00 0.00 H new ATOM 1345 N THR A 87 -1.334 9.271 -2.695 1.00 0.00 N ATOM 1346 CA THR A 87 -2.386 9.790 -1.837 1.00 0.00 C ATOM 1347 C THR A 87 -3.235 10.813 -2.594 1.00 0.00 C ATOM 1348 O THR A 87 -2.780 11.400 -3.574 1.00 0.00 O ATOM 1349 CB THR A 87 -1.730 10.358 -0.577 1.00 0.00 C ATOM 1350 OG1 THR A 87 -0.820 11.337 -1.069 1.00 0.00 O ATOM 1351 CG2 THR A 87 -0.834 9.337 0.128 1.00 0.00 C ATOM 0 H THR A 87 -0.386 9.453 -2.366 1.00 0.00 H new ATOM 0 HA THR A 87 -3.076 9.002 -1.535 1.00 0.00 H new ATOM 0 HB THR A 87 -2.503 10.699 0.111 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.353 11.757 -0.317 1.00 0.00 H new ATOM 0 HG21 THR A 87 -0.393 9.791 1.015 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.429 8.472 0.420 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.041 9.020 -0.549 1.00 0.00 H new ATOM 1359 N PRO A 88 -4.487 11.001 -2.096 1.00 0.00 N ATOM 1360 CA PRO A 88 -5.404 11.943 -2.714 1.00 0.00 C ATOM 1361 C PRO A 88 -5.017 13.385 -2.380 1.00 0.00 C ATOM 1362 O PRO A 88 -4.124 13.619 -1.567 1.00 0.00 O ATOM 1363 CB PRO A 88 -6.777 11.559 -2.187 1.00 0.00 C ATOM 1364 CG PRO A 88 -6.527 10.722 -0.943 1.00 0.00 C ATOM 1365 CD PRO A 88 -5.060 10.324 -0.937 1.00 0.00 C ATOM 0 HA PRO A 88 -5.383 11.897 -3.803 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.366 12.445 -1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.337 10.994 -2.932 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.772 11.289 -0.045 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.163 9.837 -0.944 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.569 10.635 -0.015 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.943 9.243 -1.012 1.00 0.00 H new ATOM 1373 N PRO A 89 -5.727 14.338 -3.040 1.00 0.00 N ATOM 1374 CA PRO A 89 -5.467 15.751 -2.821 1.00 0.00 C ATOM 1375 C PRO A 89 -6.035 16.211 -1.477 1.00 0.00 C ATOM 1376 O PRO A 89 -5.313 16.769 -0.652 1.00 0.00 O ATOM 1377 CB PRO A 89 -6.104 16.457 -4.007 1.00 0.00 C ATOM 1378 CG PRO A 89 -7.092 15.466 -4.601 1.00 0.00 C ATOM 1379 CD PRO A 89 -6.792 14.098 -4.010 1.00 0.00 C ATOM 0 HA PRO A 89 -4.403 15.979 -2.763 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.609 17.371 -3.693 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.351 16.745 -4.741 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.115 15.764 -4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.001 15.441 -5.687 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -7.674 13.671 -3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -6.475 13.395 -4.780 1.00 0.00 H new ATOM 1387 N ASP A 90 -7.323 15.960 -1.298 1.00 0.00 N ATOM 1388 CA ASP A 90 -7.996 16.341 -0.067 1.00 0.00 C ATOM 1389 C ASP A 90 -7.992 15.155 0.900 1.00 0.00 C ATOM 1390 O ASP A 90 -8.774 14.219 0.743 1.00 0.00 O ATOM 1391 CB ASP A 90 -9.452 16.728 -0.333 1.00 0.00 C ATOM 1392 CG ASP A 90 -9.642 17.995 -1.170 1.00 0.00 C ATOM 1393 OD1 ASP A 90 -9.429 17.901 -2.398 1.00 0.00 O ATOM 1394 OD2 ASP A 90 -9.995 19.029 -0.563 1.00 0.00 O ATOM 0 H ASP A 90 -7.919 15.497 -1.984 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.467 17.195 0.356 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.946 15.899 -0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.957 16.863 0.624 1.00 0.00 H new ATOM 1399 N ALA A 91 -7.102 15.234 1.878 1.00 0.00 N ATOM 1400 CA ALA A 91 -6.985 14.179 2.870 1.00 0.00 C ATOM 1401 C ALA A 91 -6.069 14.649 4.003 1.00 0.00 C ATOM 1402 O ALA A 91 -4.979 15.160 3.752 1.00 0.00 O ATOM 1403 CB ALA A 91 -6.475 12.902 2.200 1.00 0.00 C ATOM 0 H ALA A 91 -6.455 16.012 2.005 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.958 13.952 3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -6.387 12.111 2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.175 12.594 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.498 13.090 1.754 1.00 0.00 H new ATOM 1409 N LYS A 92 -6.547 14.460 5.224 1.00 0.00 N ATOM 1410 CA LYS A 92 -5.785 14.858 6.395 1.00 0.00 C ATOM 1411 C LYS A 92 -6.556 14.466 7.657 1.00 0.00 C ATOM 1412 O LYS A 92 -6.115 13.605 8.417 1.00 0.00 O ATOM 1413 CB LYS A 92 -5.434 16.345 6.326 1.00 0.00 C ATOM 1414 CG LYS A 92 -3.925 16.559 6.461 1.00 0.00 C ATOM 1415 CD LYS A 92 -3.620 17.873 7.183 1.00 0.00 C ATOM 1416 CE LYS A 92 -3.005 18.895 6.225 1.00 0.00 C ATOM 1417 NZ LYS A 92 -2.866 20.210 6.889 1.00 0.00 N ATOM 0 H LYS A 92 -7.452 14.037 5.428 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.832 14.331 6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.781 16.761 5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.954 16.882 7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.484 15.727 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.465 16.568 5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.537 18.277 7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.935 17.687 8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.029 18.546 5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.631 18.993 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.447 20.892 6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.803 20.549 7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.250 20.115 7.722 1.00 0.00 H new ATOM 1431 N MET A 93 -7.696 15.117 7.842 1.00 0.00 N ATOM 1432 CA MET A 93 -8.532 14.847 8.999 1.00 0.00 C ATOM 1433 C MET A 93 -10.016 14.925 8.632 1.00 0.00 C ATOM 1434 O MET A 93 -10.366 15.359 7.536 1.00 0.00 O ATOM 1435 CB MET A 93 -8.224 15.864 10.100 1.00 0.00 C ATOM 1436 CG MET A 93 -7.135 15.341 11.039 1.00 0.00 C ATOM 1437 SD MET A 93 -5.634 16.280 10.816 1.00 0.00 S ATOM 1438 CE MET A 93 -4.458 15.170 11.570 1.00 0.00 C ATOM 0 H MET A 93 -8.060 15.830 7.210 1.00 0.00 H new ATOM 0 HA MET A 93 -8.316 13.839 9.353 1.00 0.00 H new ATOM 0 HB2 MET A 93 -7.902 16.804 9.652 1.00 0.00 H new ATOM 0 HB3 MET A 93 -9.129 16.075 10.669 1.00 0.00 H new ATOM 0 HG2 MET A 93 -7.469 15.415 12.074 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.947 14.286 10.839 1.00 0.00 H new ATOM 0 HE1 MET A 93 -3.460 15.606 11.517 1.00 0.00 H new ATOM 0 HE2 MET A 93 -4.728 15.008 12.614 1.00 0.00 H new ATOM 0 HE3 MET A 93 -4.466 14.217 11.041 1.00 0.00 H new ATOM 1448 N SER A 94 -10.848 14.498 9.571 1.00 0.00 N ATOM 1449 CA SER A 94 -12.285 14.515 9.361 1.00 0.00 C ATOM 1450 C SER A 94 -12.875 15.830 9.875 1.00 0.00 C ATOM 1451 O SER A 94 -13.510 16.565 9.121 1.00 0.00 O ATOM 1452 CB SER A 94 -12.957 13.326 10.053 1.00 0.00 C ATOM 1453 OG SER A 94 -14.106 12.874 9.341 1.00 0.00 O ATOM 0 H SER A 94 -10.554 14.138 10.479 1.00 0.00 H new ATOM 0 HA SER A 94 -12.474 14.433 8.291 1.00 0.00 H new ATOM 0 HB2 SER A 94 -12.242 12.508 10.144 1.00 0.00 H new ATOM 0 HB3 SER A 94 -13.246 13.611 11.065 1.00 0.00 H new ATOM 0 HG SER A 94 -14.505 12.114 9.813 1.00 0.00 H new ATOM 1459 N GLU A 95 -12.642 16.086 11.154 1.00 0.00 N ATOM 1460 CA GLU A 95 -13.142 17.299 11.777 1.00 0.00 C ATOM 1461 C GLU A 95 -12.710 17.359 13.244 1.00 0.00 C ATOM 1462 O GLU A 95 -13.439 16.911 14.128 1.00 0.00 O ATOM 1463 CB GLU A 95 -14.664 17.394 11.649 1.00 0.00 C ATOM 1464 CG GLU A 95 -15.104 18.838 11.400 1.00 0.00 C ATOM 1465 CD GLU A 95 -16.596 19.014 11.687 1.00 0.00 C ATOM 1466 OE1 GLU A 95 -17.390 18.333 11.003 1.00 0.00 O ATOM 1467 OE2 GLU A 95 -16.910 19.826 12.585 1.00 0.00 O ATOM 0 H GLU A 95 -12.114 15.474 11.776 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.713 18.155 11.257 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -15.004 16.760 10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.133 17.019 12.558 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.526 19.512 12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.894 19.113 10.366 1.00 0.00 H new ATOM 1474 N ALA A 96 -11.528 17.917 13.457 1.00 0.00 N ATOM 1475 CA ALA A 96 -10.990 18.042 14.801 1.00 0.00 C ATOM 1476 C ALA A 96 -9.674 18.820 14.749 1.00 0.00 C ATOM 1477 O ALA A 96 -9.238 19.238 13.678 1.00 0.00 O ATOM 1478 CB ALA A 96 -10.821 16.650 15.414 1.00 0.00 C ATOM 0 H ALA A 96 -10.927 18.288 12.721 1.00 0.00 H new ATOM 0 HA ALA A 96 -11.676 18.599 15.439 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -10.417 16.743 16.422 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.789 16.151 15.455 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.136 16.064 14.802 1.00 0.00 H new ATOM 1484 N ARG A 97 -9.077 18.989 15.920 1.00 0.00 N ATOM 1485 CA ARG A 97 -7.819 19.710 16.021 1.00 0.00 C ATOM 1486 C ARG A 97 -8.044 21.206 15.795 1.00 0.00 C ATOM 1487 O ARG A 97 -7.740 22.022 16.664 1.00 0.00 O ATOM 1488 CB ARG A 97 -6.805 19.193 14.999 1.00 0.00 C ATOM 1489 CG ARG A 97 -5.464 18.881 15.666 1.00 0.00 C ATOM 1490 CD ARG A 97 -4.298 19.181 14.722 1.00 0.00 C ATOM 1491 NE ARG A 97 -3.529 20.343 15.221 1.00 0.00 N ATOM 1492 CZ ARG A 97 -2.558 20.954 14.528 1.00 0.00 C ATOM 1493 NH1 ARG A 97 -2.233 20.519 13.304 1.00 0.00 N ATOM 1494 NH2 ARG A 97 -1.913 22.001 15.061 1.00 0.00 N ATOM 0 H ARG A 97 -9.441 18.639 16.806 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.423 19.547 17.023 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.194 18.295 14.518 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.661 19.937 14.216 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.361 19.472 16.576 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.436 17.832 15.962 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -3.648 18.310 14.646 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.674 19.387 13.720 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.752 20.701 16.150 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -2.724 19.722 12.899 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.494 20.984 12.777 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.161 22.332 15.993 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.174 22.467 14.534 1.00 0.00 H new ATOM 1508 N SER A 98 -8.576 21.521 14.623 1.00 0.00 N ATOM 1509 CA SER A 98 -8.846 22.905 14.271 1.00 0.00 C ATOM 1510 C SER A 98 -9.533 22.974 12.906 1.00 0.00 C ATOM 1511 O SER A 98 -8.881 22.839 11.872 1.00 0.00 O ATOM 1512 CB SER A 98 -7.558 23.731 14.260 1.00 0.00 C ATOM 1513 OG SER A 98 -7.707 24.961 14.965 1.00 0.00 O ATOM 0 H SER A 98 -8.827 20.842 13.905 1.00 0.00 H new ATOM 0 HA SER A 98 -9.510 23.327 15.026 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.752 23.151 14.709 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.268 23.936 13.230 1.00 0.00 H new ATOM 0 HG SER A 98 -6.863 25.459 14.937 1.00 0.00 H new ATOM 1519 N SER A 99 -10.841 23.183 12.947 1.00 0.00 N ATOM 1520 CA SER A 99 -11.623 23.271 11.726 1.00 0.00 C ATOM 1521 C SER A 99 -11.099 24.411 10.850 1.00 0.00 C ATOM 1522 O SER A 99 -11.502 25.561 11.016 1.00 0.00 O ATOM 1523 CB SER A 99 -13.107 23.479 12.036 1.00 0.00 C ATOM 1524 OG SER A 99 -13.329 24.642 12.829 1.00 0.00 O ATOM 0 H SER A 99 -11.379 23.294 13.807 1.00 0.00 H new ATOM 0 HA SER A 99 -11.521 22.330 11.186 1.00 0.00 H new ATOM 0 HB2 SER A 99 -13.664 23.565 11.103 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.494 22.604 12.559 1.00 0.00 H new ATOM 0 HG SER A 99 -12.814 25.391 12.462 1.00 0.00 H new ATOM 1530 N GLY A 100 -10.209 24.052 9.937 1.00 0.00 N ATOM 1531 CA GLY A 100 -9.626 25.030 9.035 1.00 0.00 C ATOM 1532 C GLY A 100 -9.030 24.351 7.800 1.00 0.00 C ATOM 1533 O GLY A 100 -8.703 23.166 7.836 1.00 0.00 O ATOM 0 H GLY A 100 -9.877 23.097 9.802 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.388 25.746 8.728 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.850 25.592 9.555 1.00 0.00 H new ATOM 1537 N PRO A 101 -8.904 25.152 6.708 1.00 0.00 N ATOM 1538 CA PRO A 101 -8.353 24.640 5.465 1.00 0.00 C ATOM 1539 C PRO A 101 -6.835 24.477 5.564 1.00 0.00 C ATOM 1540 O PRO A 101 -6.282 23.484 5.094 1.00 0.00 O ATOM 1541 CB PRO A 101 -8.775 25.645 4.405 1.00 0.00 C ATOM 1542 CG PRO A 101 -9.144 26.914 5.157 1.00 0.00 C ATOM 1543 CD PRO A 101 -9.281 26.560 6.629 1.00 0.00 C ATOM 0 HA PRO A 101 -8.721 23.644 5.220 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.966 25.831 3.699 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.622 25.272 3.829 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.378 27.677 5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.078 27.326 4.775 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.631 27.179 7.247 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.301 26.717 6.981 1.00 0.00 H new ATOM 1551 N SER A 102 -6.204 25.467 6.178 1.00 0.00 N ATOM 1552 CA SER A 102 -4.761 25.446 6.344 1.00 0.00 C ATOM 1553 C SER A 102 -4.075 25.578 4.983 1.00 0.00 C ATOM 1554 O SER A 102 -4.686 25.315 3.948 1.00 0.00 O ATOM 1555 CB SER A 102 -4.306 24.164 7.045 1.00 0.00 C ATOM 1556 OG SER A 102 -3.785 24.423 8.345 1.00 0.00 O ATOM 0 H SER A 102 -6.666 26.289 6.567 1.00 0.00 H new ATOM 0 HA SER A 102 -4.477 26.292 6.970 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.147 23.475 7.122 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.544 23.671 6.441 1.00 0.00 H new ATOM 0 HG SER A 102 -3.507 23.580 8.760 1.00 0.00 H new ATOM 1562 N SER A 103 -2.815 25.986 5.028 1.00 0.00 N ATOM 1563 CA SER A 103 -2.040 26.157 3.811 1.00 0.00 C ATOM 1564 C SER A 103 -0.797 25.266 3.853 1.00 0.00 C ATOM 1565 O SER A 103 -0.610 24.415 2.984 1.00 0.00 O ATOM 1566 CB SER A 103 -1.637 27.620 3.615 1.00 0.00 C ATOM 1567 OG SER A 103 -2.113 28.144 2.378 1.00 0.00 O ATOM 0 H SER A 103 -2.312 26.203 5.888 1.00 0.00 H new ATOM 0 HA SER A 103 -2.662 25.863 2.966 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.030 28.218 4.437 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.551 27.705 3.651 1.00 0.00 H new ATOM 0 HG SER A 103 -1.837 29.080 2.291 1.00 0.00 H new ATOM 1573 N GLY A 104 0.020 25.491 4.871 1.00 0.00 N ATOM 1574 CA GLY A 104 1.239 24.719 5.038 1.00 0.00 C ATOM 1575 C GLY A 104 2.426 25.419 4.373 1.00 0.00 C ATOM 1576 O GLY A 104 3.007 24.895 3.423 1.00 0.00 O ATOM 0 H GLY A 104 -0.139 26.198 5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.443 24.579 6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.108 23.727 4.605 1.00 0.00 H new TER 1580 GLY A 104