USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 752 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 76 ASN : amide:sc= 0.548 K(o=1.6,f=-0.87) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -132:sc= 1.07 (180deg=-0.106) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0988 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.123 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 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0113) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 147:sc= -1.67 (180deg=-2.45!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0171 K(o=-0.017,f=-1.4) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.9!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 102:sc= 0.0839 USER MOD Single : A 64 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.3) USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00374 USER MOD Single : A 71 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0329) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -40.538 11.383 6.910 1.00 0.00 N ATOM 2 CA GLY A 1 -39.857 10.198 6.420 1.00 0.00 C ATOM 3 C GLY A 1 -39.648 9.160 7.504 1.00 0.00 C ATOM 4 O GLY A 1 -39.942 9.406 8.674 1.00 0.00 O ATOM 0 H1 GLY A 1 -41.428 11.513 6.388 1.00 0.00 H new ATOM 0 H2 GLY A 1 -40.745 11.271 7.923 1.00 0.00 H new ATOM 0 H3 GLY A 1 -39.930 12.215 6.771 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -40.437 9.759 5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.891 10.484 6.004 1.00 0.00 H new ATOM 8 N SER A 2 -39.139 7.995 7.115 1.00 0.00 N ATOM 9 CA SER A 2 -38.896 6.913 8.062 1.00 0.00 C ATOM 10 C SER A 2 -37.410 6.570 8.126 1.00 0.00 C ATOM 11 O SER A 2 -36.592 7.179 7.437 1.00 0.00 O ATOM 12 CB SER A 2 -39.700 5.673 7.668 1.00 0.00 C ATOM 13 OG SER A 2 -40.806 5.486 8.535 1.00 0.00 O ATOM 0 H SER A 2 -38.887 7.776 6.151 1.00 0.00 H new ATOM 0 HA SER A 2 -39.217 7.248 9.049 1.00 0.00 H new ATOM 0 HB2 SER A 2 -40.052 5.775 6.641 1.00 0.00 H new ATOM 0 HB3 SER A 2 -39.057 4.794 7.699 1.00 0.00 H new ATOM 0 HG SER A 2 -41.305 4.688 8.261 1.00 0.00 H new ATOM 19 N SER A 3 -37.071 5.591 8.958 1.00 0.00 N ATOM 20 CA SER A 3 -35.684 5.169 9.116 1.00 0.00 C ATOM 21 C SER A 3 -35.607 3.706 9.542 1.00 0.00 C ATOM 22 O SER A 3 -36.586 3.135 10.020 1.00 0.00 O ATOM 23 CB SER A 3 -34.974 6.051 10.145 1.00 0.00 C ATOM 24 OG SER A 3 -33.652 5.599 10.378 1.00 0.00 O ATOM 0 H SER A 3 -37.737 5.075 9.533 1.00 0.00 H new ATOM 0 HA SER A 3 -35.185 5.275 8.153 1.00 0.00 H new ATOM 0 HB2 SER A 3 -34.952 7.082 9.792 1.00 0.00 H new ATOM 0 HB3 SER A 3 -35.533 6.046 11.080 1.00 0.00 H new ATOM 0 HG SER A 3 -33.219 6.180 11.038 1.00 0.00 H new ATOM 30 N GLY A 4 -34.433 3.106 9.366 1.00 0.00 N ATOM 31 CA GLY A 4 -34.248 1.715 9.737 1.00 0.00 C ATOM 32 C GLY A 4 -34.314 0.783 8.544 1.00 0.00 C ATOM 33 O GLY A 4 -35.330 0.127 8.315 1.00 0.00 O ATOM 0 H GLY A 4 -33.607 3.558 8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.284 1.599 10.232 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -35.013 1.430 10.459 1.00 0.00 H new ATOM 37 N SER A 5 -33.227 0.725 7.780 1.00 0.00 N ATOM 38 CA SER A 5 -33.167 -0.130 6.600 1.00 0.00 C ATOM 39 C SER A 5 -32.708 -1.537 6.971 1.00 0.00 C ATOM 40 O SER A 5 -31.797 -1.711 7.780 1.00 0.00 O ATOM 41 CB SER A 5 -32.221 0.469 5.558 1.00 0.00 C ATOM 42 OG SER A 5 -32.577 0.057 4.250 1.00 0.00 O ATOM 0 H SER A 5 -32.377 1.260 7.957 1.00 0.00 H new ATOM 0 HA SER A 5 -34.169 -0.194 6.177 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.248 1.557 5.620 1.00 0.00 H new ATOM 0 HB3 SER A 5 -31.197 0.163 5.773 1.00 0.00 H new ATOM 0 HG SER A 5 -31.958 0.455 3.602 1.00 0.00 H new ATOM 48 N SER A 6 -33.347 -2.538 6.374 1.00 0.00 N ATOM 49 CA SER A 6 -33.008 -3.930 6.644 1.00 0.00 C ATOM 50 C SER A 6 -33.131 -4.774 5.379 1.00 0.00 C ATOM 51 O SER A 6 -32.129 -5.181 4.791 1.00 0.00 O ATOM 52 CB SER A 6 -33.916 -4.495 7.738 1.00 0.00 C ATOM 53 OG SER A 6 -33.687 -3.847 8.977 1.00 0.00 O ATOM 0 H SER A 6 -34.102 -2.411 5.700 1.00 0.00 H new ATOM 0 HA SER A 6 -31.974 -3.967 6.985 1.00 0.00 H new ATOM 0 HB2 SER A 6 -34.959 -4.373 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 6 -33.738 -5.565 7.846 1.00 0.00 H new ATOM 0 HG SER A 6 -34.281 -4.225 9.659 1.00 0.00 H new ATOM 59 N GLY A 7 -34.368 -5.033 4.965 1.00 0.00 N ATOM 60 CA GLY A 7 -34.600 -5.827 3.773 1.00 0.00 C ATOM 61 C GLY A 7 -33.886 -5.270 2.557 1.00 0.00 C ATOM 62 O GLY A 7 -34.220 -4.190 2.073 1.00 0.00 O ATOM 0 H GLY A 7 -35.213 -4.707 5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -34.266 -6.849 3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -35.671 -5.872 3.573 1.00 0.00 H new ATOM 66 N GLY A 8 -32.897 -6.009 2.063 1.00 0.00 N ATOM 67 CA GLY A 8 -32.148 -5.565 0.902 1.00 0.00 C ATOM 68 C GLY A 8 -31.765 -6.711 -0.013 1.00 0.00 C ATOM 69 O GLY A 8 -32.465 -7.721 -0.079 1.00 0.00 O ATOM 0 H GLY A 8 -32.601 -6.907 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -32.743 -4.842 0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -31.246 -5.049 1.231 1.00 0.00 H new ATOM 73 N GLN A 9 -30.651 -6.554 -0.722 1.00 0.00 N ATOM 74 CA GLN A 9 -30.178 -7.584 -1.639 1.00 0.00 C ATOM 75 C GLN A 9 -28.716 -7.355 -2.007 1.00 0.00 C ATOM 76 O GLN A 9 -28.219 -6.229 -1.951 1.00 0.00 O ATOM 77 CB GLN A 9 -31.038 -7.603 -2.904 1.00 0.00 C ATOM 78 CG GLN A 9 -30.758 -8.789 -3.812 1.00 0.00 C ATOM 79 CD GLN A 9 -31.915 -9.100 -4.741 1.00 0.00 C ATOM 80 OE1 GLN A 9 -32.563 -10.140 -4.617 1.00 0.00 O ATOM 81 NE2 GLN A 9 -32.181 -8.198 -5.678 1.00 0.00 N ATOM 0 H GLN A 9 -30.060 -5.724 -0.679 1.00 0.00 H new ATOM 0 HA GLN A 9 -30.260 -8.548 -1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -32.090 -7.615 -2.618 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -30.870 -6.682 -3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -29.866 -8.585 -4.405 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -30.542 -9.666 -3.202 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -31.618 -7.350 -5.744 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -32.949 -8.353 -6.332 1.00 0.00 H new ATOM 90 N LEU A 10 -28.031 -8.429 -2.382 1.00 0.00 N ATOM 91 CA LEU A 10 -26.624 -8.346 -2.759 1.00 0.00 C ATOM 92 C LEU A 10 -26.476 -8.028 -4.243 1.00 0.00 C ATOM 93 O LEU A 10 -26.103 -8.890 -5.039 1.00 0.00 O ATOM 94 CB LEU A 10 -25.910 -9.660 -2.434 1.00 0.00 C ATOM 95 CG LEU A 10 -25.518 -9.866 -0.970 1.00 0.00 C ATOM 96 CD1 LEU A 10 -25.493 -11.347 -0.628 1.00 0.00 C ATOM 97 CD2 LEU A 10 -24.167 -9.228 -0.685 1.00 0.00 C ATOM 0 H LEU A 10 -28.427 -9.368 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 10 -26.167 -7.539 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -26.555 -10.485 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -25.008 -9.721 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 10 -26.266 -9.382 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -25.212 -11.474 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -26.482 -11.775 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -24.767 -11.855 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -23.904 -9.384 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -23.408 -9.683 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -24.219 -8.159 -0.890 1.00 0.00 H new ATOM 109 N ASP A 11 -26.768 -6.785 -4.609 1.00 0.00 N ATOM 110 CA ASP A 11 -26.665 -6.351 -5.997 1.00 0.00 C ATOM 111 C ASP A 11 -25.213 -6.065 -6.370 1.00 0.00 C ATOM 112 O ASP A 11 -24.374 -5.824 -5.502 1.00 0.00 O ATOM 113 CB ASP A 11 -27.519 -5.104 -6.229 1.00 0.00 C ATOM 114 CG ASP A 11 -27.987 -4.982 -7.666 1.00 0.00 C ATOM 115 OD1 ASP A 11 -27.969 -6.003 -8.385 1.00 0.00 O ATOM 116 OD2 ASP A 11 -28.372 -3.865 -8.071 1.00 0.00 O ATOM 0 H ASP A 11 -27.078 -6.059 -3.963 1.00 0.00 H new ATOM 0 HA ASP A 11 -27.033 -7.157 -6.632 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -28.386 -5.133 -5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -26.944 -4.218 -5.961 1.00 0.00 H new ATOM 121 N LEU A 12 -24.924 -6.095 -7.666 1.00 0.00 N ATOM 122 CA LEU A 12 -23.574 -5.841 -8.155 1.00 0.00 C ATOM 123 C LEU A 12 -23.047 -4.509 -7.631 1.00 0.00 C ATOM 124 O LEU A 12 -23.821 -3.624 -7.264 1.00 0.00 O ATOM 125 CB LEU A 12 -23.555 -5.843 -9.685 1.00 0.00 C ATOM 126 CG LEU A 12 -24.556 -4.913 -10.370 1.00 0.00 C ATOM 127 CD1 LEU A 12 -23.833 -3.902 -11.246 1.00 0.00 C ATOM 128 CD2 LEU A 12 -25.554 -5.716 -11.191 1.00 0.00 C ATOM 0 H LEU A 12 -25.607 -6.293 -8.397 1.00 0.00 H new ATOM 0 HA LEU A 12 -22.926 -6.637 -7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -22.552 -5.572 -10.016 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -23.740 -6.860 -10.029 1.00 0.00 H new ATOM 0 HG LEU A 12 -25.103 -4.369 -9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -24.562 -3.249 -11.725 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -23.159 -3.305 -10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -23.259 -4.427 -12.010 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -26.259 -5.038 -11.672 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -25.023 -6.287 -11.953 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -26.096 -6.400 -10.538 1.00 0.00 H new ATOM 140 N LEU A 13 -21.726 -4.372 -7.600 1.00 0.00 N ATOM 141 CA LEU A 13 -21.094 -3.147 -7.122 1.00 0.00 C ATOM 142 C LEU A 13 -20.583 -2.308 -8.289 1.00 0.00 C ATOM 143 O LEU A 13 -19.937 -2.824 -9.201 1.00 0.00 O ATOM 144 CB LEU A 13 -19.941 -3.480 -6.174 1.00 0.00 C ATOM 145 CG LEU A 13 -20.049 -2.909 -4.759 1.00 0.00 C ATOM 146 CD1 LEU A 13 -19.345 -3.816 -3.763 1.00 0.00 C ATOM 147 CD2 LEU A 13 -19.470 -1.503 -4.706 1.00 0.00 C ATOM 0 H LEU A 13 -21.071 -5.094 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 13 -21.843 -2.568 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -19.858 -4.564 -6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -19.014 -3.119 -6.620 1.00 0.00 H new ATOM 0 HG LEU A 13 -21.103 -2.856 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -19.432 -3.394 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -19.806 -4.804 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -18.292 -3.902 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -19.555 -1.112 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -18.420 -1.531 -4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -20.019 -0.857 -5.391 1.00 0.00 H new ATOM 159 N ARG A 14 -20.873 -1.012 -8.251 1.00 0.00 N ATOM 160 CA ARG A 14 -20.442 -0.101 -9.304 1.00 0.00 C ATOM 161 C ARG A 14 -19.289 0.777 -8.826 1.00 0.00 C ATOM 162 O ARG A 14 -19.438 1.990 -8.679 1.00 0.00 O ATOM 163 CB ARG A 14 -21.609 0.777 -9.760 1.00 0.00 C ATOM 164 CG ARG A 14 -21.477 1.272 -11.190 1.00 0.00 C ATOM 165 CD ARG A 14 -20.803 2.634 -11.248 1.00 0.00 C ATOM 166 NE ARG A 14 -20.775 3.174 -12.605 1.00 0.00 N ATOM 167 CZ ARG A 14 -20.468 4.435 -12.888 1.00 0.00 C ATOM 168 NH1 ARG A 14 -20.164 5.281 -11.914 1.00 0.00 N ATOM 169 NH2 ARG A 14 -20.465 4.851 -14.148 1.00 0.00 N ATOM 0 H ARG A 14 -21.405 -0.569 -7.502 1.00 0.00 H new ATOM 0 HA ARG A 14 -20.096 -0.700 -10.147 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -22.536 0.212 -9.664 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -21.689 1.636 -9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -20.900 0.554 -11.773 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -22.464 1.334 -11.647 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -21.330 3.327 -10.593 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -19.784 2.551 -10.870 1.00 0.00 H new ATOM 0 HE ARG A 14 -21.004 2.549 -13.378 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -20.165 4.964 -10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -19.929 6.249 -12.134 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -20.699 4.202 -14.900 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -20.229 5.819 -14.365 1.00 0.00 H new ATOM 183 N SER A 15 -18.139 0.154 -8.584 1.00 0.00 N ATOM 184 CA SER A 15 -16.962 0.877 -8.117 1.00 0.00 C ATOM 185 C SER A 15 -15.717 0.438 -8.882 1.00 0.00 C ATOM 186 O SER A 15 -15.591 -0.722 -9.271 1.00 0.00 O ATOM 187 CB SER A 15 -16.760 0.652 -6.618 1.00 0.00 C ATOM 188 OG SER A 15 -16.276 1.825 -5.986 1.00 0.00 O ATOM 0 H SER A 15 -17.998 -0.849 -8.704 1.00 0.00 H new ATOM 0 HA SER A 15 -17.123 1.940 -8.298 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.704 0.352 -6.162 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.056 -0.166 -6.462 1.00 0.00 H new ATOM 0 HG SER A 15 -16.157 1.655 -5.028 1.00 0.00 H new ATOM 194 N ASN A 16 -14.799 1.376 -9.093 1.00 0.00 N ATOM 195 CA ASN A 16 -13.563 1.087 -9.811 1.00 0.00 C ATOM 196 C ASN A 16 -12.454 0.682 -8.844 1.00 0.00 C ATOM 197 O ASN A 16 -12.266 1.305 -7.799 1.00 0.00 O ATOM 198 CB ASN A 16 -13.124 2.306 -10.625 1.00 0.00 C ATOM 199 CG ASN A 16 -13.861 2.414 -11.946 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.594 1.661 -12.882 1.00 0.00 O ATOM 201 ND2 ASN A 16 -14.794 3.356 -12.027 1.00 0.00 N ATOM 0 H ASN A 16 -14.888 2.342 -8.777 1.00 0.00 H new ATOM 0 HA ASN A 16 -13.752 0.255 -10.489 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -13.295 3.210 -10.041 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -12.052 2.247 -10.814 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.323 3.477 -12.891 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.982 3.958 -11.225 1.00 0.00 H new ATOM 208 N THR A 17 -11.720 -0.368 -9.201 1.00 0.00 N ATOM 209 CA THR A 17 -10.630 -0.858 -8.366 1.00 0.00 C ATOM 210 C THR A 17 -9.484 0.146 -8.313 1.00 0.00 C ATOM 211 O THR A 17 -9.030 0.528 -7.235 1.00 0.00 O ATOM 212 CB THR A 17 -10.092 -2.207 -8.879 1.00 0.00 C ATOM 213 OG1 THR A 17 -11.112 -2.894 -9.612 1.00 0.00 O ATOM 214 CG2 THR A 17 -9.618 -3.075 -7.723 1.00 0.00 C ATOM 0 H THR A 17 -11.861 -0.895 -10.063 1.00 0.00 H new ATOM 0 HA THR A 17 -11.037 -0.995 -7.364 1.00 0.00 H new ATOM 0 HB THR A 17 -9.244 -2.010 -9.535 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.762 -3.750 -9.936 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.242 -4.022 -8.110 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.821 -2.561 -7.185 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.450 -3.264 -7.045 1.00 0.00 H new ATOM 222 N GLY A 18 -9.021 0.572 -9.485 1.00 0.00 N ATOM 223 CA GLY A 18 -7.932 1.529 -9.549 1.00 0.00 C ATOM 224 C GLY A 18 -6.851 1.112 -10.525 1.00 0.00 C ATOM 225 O GLY A 18 -7.112 0.942 -11.717 1.00 0.00 O ATOM 0 H GLY A 18 -9.381 0.271 -10.391 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.325 2.503 -9.841 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.496 1.646 -8.557 1.00 0.00 H new ATOM 229 N LEU A 19 -5.632 0.948 -10.021 1.00 0.00 N ATOM 230 CA LEU A 19 -4.506 0.550 -10.858 1.00 0.00 C ATOM 231 C LEU A 19 -3.851 -0.719 -10.322 1.00 0.00 C ATOM 232 O LEU A 19 -3.949 -1.027 -9.133 1.00 0.00 O ATOM 233 CB LEU A 19 -3.475 1.678 -10.930 1.00 0.00 C ATOM 234 CG LEU A 19 -3.501 2.530 -12.199 1.00 0.00 C ATOM 235 CD1 LEU A 19 -3.277 3.996 -11.862 1.00 0.00 C ATOM 236 CD2 LEU A 19 -2.453 2.044 -13.190 1.00 0.00 C ATOM 0 H LEU A 19 -5.399 1.085 -9.037 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.884 0.347 -11.860 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.623 2.334 -10.073 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.481 1.242 -10.829 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.483 2.429 -12.660 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.299 4.587 -12.777 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.063 4.339 -11.190 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.308 4.114 -11.377 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.486 2.662 -14.087 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.464 2.114 -12.737 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.657 1.007 -13.456 1.00 0.00 H new ATOM 248 N LEU A 20 -3.182 -1.452 -11.205 1.00 0.00 N ATOM 249 CA LEU A 20 -2.509 -2.687 -10.821 1.00 0.00 C ATOM 250 C LEU A 20 -1.008 -2.463 -10.662 1.00 0.00 C ATOM 251 O LEU A 20 -0.429 -1.592 -11.311 1.00 0.00 O ATOM 252 CB LEU A 20 -2.765 -3.777 -11.863 1.00 0.00 C ATOM 253 CG LEU A 20 -2.427 -5.206 -11.438 1.00 0.00 C ATOM 254 CD1 LEU A 20 -3.174 -5.575 -10.165 1.00 0.00 C ATOM 255 CD2 LEU A 20 -2.755 -6.187 -12.554 1.00 0.00 C ATOM 0 H LEU A 20 -3.091 -1.212 -12.192 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.914 -3.008 -9.861 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.818 -3.743 -12.144 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.188 -3.539 -12.757 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.357 -5.261 -11.237 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.921 -6.596 -9.878 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.889 -4.892 -9.365 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.248 -5.503 -10.339 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.508 -7.199 -12.233 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.818 -6.130 -12.788 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.174 -5.936 -13.442 1.00 0.00 H new ATOM 267 N TYR A 21 -0.385 -3.256 -9.798 1.00 0.00 N ATOM 268 CA TYR A 21 1.048 -3.144 -9.554 1.00 0.00 C ATOM 269 C TYR A 21 1.698 -4.522 -9.485 1.00 0.00 C ATOM 270 O TYR A 21 1.038 -5.519 -9.192 1.00 0.00 O ATOM 271 CB TYR A 21 1.307 -2.379 -8.254 1.00 0.00 C ATOM 272 CG TYR A 21 1.430 -0.885 -8.445 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.304 -0.071 -8.463 1.00 0.00 C ATOM 274 CD2 TYR A 21 2.674 -0.285 -8.606 1.00 0.00 C ATOM 275 CE1 TYR A 21 0.412 1.295 -8.638 1.00 0.00 C ATOM 276 CE2 TYR A 21 2.791 1.080 -8.780 1.00 0.00 C ATOM 277 CZ TYR A 21 1.658 1.866 -8.796 1.00 0.00 C ATOM 278 OH TYR A 21 1.770 3.226 -8.969 1.00 0.00 O ATOM 0 H TYR A 21 -0.850 -3.984 -9.255 1.00 0.00 H new ATOM 0 HA TYR A 21 1.491 -2.595 -10.385 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.495 -2.582 -7.555 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.222 -2.755 -7.797 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.673 -0.514 -8.338 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.564 -0.897 -8.595 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.474 1.913 -8.651 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.765 1.530 -8.903 1.00 0.00 H new ATOM 0 HH TYR A 21 2.715 3.467 -9.064 1.00 0.00 H new ATOM 288 N ARG A 22 2.999 -4.570 -9.755 1.00 0.00 N ATOM 289 CA ARG A 22 3.740 -5.825 -9.725 1.00 0.00 C ATOM 290 C ARG A 22 5.221 -5.575 -9.456 1.00 0.00 C ATOM 291 O ARG A 22 5.739 -4.494 -9.738 1.00 0.00 O ATOM 292 CB ARG A 22 3.570 -6.574 -11.048 1.00 0.00 C ATOM 293 CG ARG A 22 2.331 -7.453 -11.095 1.00 0.00 C ATOM 294 CD ARG A 22 2.276 -8.270 -12.376 1.00 0.00 C ATOM 295 NE ARG A 22 1.197 -7.833 -13.258 1.00 0.00 N ATOM 296 CZ ARG A 22 1.098 -8.195 -14.533 1.00 0.00 C ATOM 297 NH1 ARG A 22 2.007 -8.997 -15.070 1.00 0.00 N ATOM 298 NH2 ARG A 22 0.087 -7.756 -15.272 1.00 0.00 N ATOM 0 H ARG A 22 3.561 -3.754 -9.997 1.00 0.00 H new ATOM 0 HA ARG A 22 3.339 -6.436 -8.916 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.523 -5.851 -11.862 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.451 -7.192 -11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.326 -8.122 -10.235 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.439 -6.831 -11.020 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.228 -8.187 -12.900 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.138 -9.323 -12.129 1.00 0.00 H new ATOM 0 HE ARG A 22 0.481 -7.217 -12.875 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.784 -9.338 -14.504 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.929 -9.273 -16.049 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.615 -7.140 -14.862 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.012 -8.034 -16.250 1.00 0.00 H new ATOM 312 N ILE A 23 5.896 -6.581 -8.909 1.00 0.00 N ATOM 313 CA ILE A 23 7.316 -6.470 -8.603 1.00 0.00 C ATOM 314 C ILE A 23 8.169 -6.826 -9.816 1.00 0.00 C ATOM 315 O ILE A 23 7.731 -7.558 -10.704 1.00 0.00 O ATOM 316 CB ILE A 23 7.712 -7.381 -7.426 1.00 0.00 C ATOM 317 CG1 ILE A 23 7.325 -8.831 -7.724 1.00 0.00 C ATOM 318 CG2 ILE A 23 7.051 -6.904 -6.142 1.00 0.00 C ATOM 319 CD1 ILE A 23 8.165 -9.846 -6.980 1.00 0.00 C ATOM 0 H ILE A 23 5.482 -7.482 -8.669 1.00 0.00 H new ATOM 0 HA ILE A 23 7.498 -5.432 -8.325 1.00 0.00 H new ATOM 0 HB ILE A 23 8.793 -7.332 -7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.277 -8.979 -7.465 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.417 -9.010 -8.795 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.340 -7.558 -5.319 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.371 -5.885 -5.925 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.968 -6.927 -6.260 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.835 -10.852 -7.240 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.212 -9.725 -7.257 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.054 -9.693 -5.906 1.00 0.00 H new ATOM 331 N LYS A 24 9.391 -6.305 -9.847 1.00 0.00 N ATOM 332 CA LYS A 24 10.309 -6.570 -10.949 1.00 0.00 C ATOM 333 C LYS A 24 11.414 -7.528 -10.518 1.00 0.00 C ATOM 334 O LYS A 24 12.208 -7.216 -9.630 1.00 0.00 O ATOM 335 CB LYS A 24 10.922 -5.262 -11.455 1.00 0.00 C ATOM 336 CG LYS A 24 11.000 -5.172 -12.969 1.00 0.00 C ATOM 337 CD LYS A 24 12.209 -5.917 -13.510 1.00 0.00 C ATOM 338 CE LYS A 24 11.843 -6.776 -14.710 1.00 0.00 C ATOM 339 NZ LYS A 24 11.368 -5.953 -15.857 1.00 0.00 N ATOM 0 H LYS A 24 9.769 -5.696 -9.121 1.00 0.00 H new ATOM 0 HA LYS A 24 9.743 -7.035 -11.756 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.333 -4.425 -11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.925 -5.157 -11.041 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.091 -5.585 -13.406 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.051 -4.126 -13.270 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.981 -5.202 -13.795 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.631 -6.546 -12.726 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.711 -7.360 -15.017 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.066 -7.485 -14.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.209 -6.566 -16.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.478 -5.481 -15.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.085 -5.237 -16.091 1.00 0.00 H new ATOM 353 N ASP A 25 11.461 -8.694 -11.153 1.00 0.00 N ATOM 354 CA ASP A 25 12.471 -9.697 -10.837 1.00 0.00 C ATOM 355 C ASP A 25 12.408 -10.086 -9.363 1.00 0.00 C ATOM 356 O ASP A 25 11.559 -9.598 -8.618 1.00 0.00 O ATOM 357 CB ASP A 25 13.867 -9.172 -11.179 1.00 0.00 C ATOM 358 CG ASP A 25 14.724 -10.214 -11.870 1.00 0.00 C ATOM 359 OD1 ASP A 25 14.821 -11.344 -11.347 1.00 0.00 O ATOM 360 OD2 ASP A 25 15.298 -9.900 -12.934 1.00 0.00 O ATOM 0 H ASP A 25 10.811 -8.968 -11.890 1.00 0.00 H new ATOM 0 HA ASP A 25 12.267 -10.583 -11.438 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.775 -8.297 -11.822 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.363 -8.846 -10.265 1.00 0.00 H new ATOM 365 N SER A 26 13.312 -10.969 -8.950 1.00 0.00 N ATOM 366 CA SER A 26 13.356 -11.428 -7.567 1.00 0.00 C ATOM 367 C SER A 26 14.767 -11.865 -7.184 1.00 0.00 C ATOM 368 O SER A 26 14.975 -12.985 -6.716 1.00 0.00 O ATOM 369 CB SER A 26 12.377 -12.585 -7.359 1.00 0.00 C ATOM 370 OG SER A 26 12.623 -13.632 -8.282 1.00 0.00 O ATOM 0 H SER A 26 14.024 -11.381 -9.554 1.00 0.00 H new ATOM 0 HA SER A 26 13.065 -10.596 -6.925 1.00 0.00 H new ATOM 0 HB2 SER A 26 12.468 -12.964 -6.341 1.00 0.00 H new ATOM 0 HB3 SER A 26 11.354 -12.226 -7.475 1.00 0.00 H new ATOM 0 HG SER A 26 11.986 -14.360 -8.128 1.00 0.00 H new ATOM 376 N GLN A 27 15.732 -10.974 -7.386 1.00 0.00 N ATOM 377 CA GLN A 27 17.123 -11.268 -7.063 1.00 0.00 C ATOM 378 C GLN A 27 17.877 -9.994 -6.697 1.00 0.00 C ATOM 379 O GLN A 27 18.514 -9.919 -5.647 1.00 0.00 O ATOM 380 CB GLN A 27 17.807 -11.959 -8.244 1.00 0.00 C ATOM 381 CG GLN A 27 19.249 -12.353 -7.966 1.00 0.00 C ATOM 382 CD GLN A 27 20.104 -12.359 -9.217 1.00 0.00 C ATOM 383 OE1 GLN A 27 20.927 -11.467 -9.425 1.00 0.00 O ATOM 384 NE2 GLN A 27 19.914 -13.368 -10.060 1.00 0.00 N ATOM 0 H GLN A 27 15.576 -10.043 -7.772 1.00 0.00 H new ATOM 0 HA GLN A 27 17.137 -11.937 -6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.240 -12.851 -8.510 1.00 0.00 H new ATOM 0 HB3 GLN A 27 17.781 -11.295 -9.108 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.677 -11.661 -7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 27 19.270 -13.344 -7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 27 19.221 -14.086 -9.848 1.00 0.00 H new ATOM 0 HE22 GLN A 27 20.461 -13.425 -10.919 1.00 0.00 H new ATOM 393 N ASN A 28 17.802 -8.995 -7.570 1.00 0.00 N ATOM 394 CA ASN A 28 18.479 -7.724 -7.339 1.00 0.00 C ATOM 395 C ASN A 28 17.687 -6.856 -6.366 1.00 0.00 C ATOM 396 O ASN A 28 16.606 -6.368 -6.692 1.00 0.00 O ATOM 397 CB ASN A 28 18.676 -6.979 -8.661 1.00 0.00 C ATOM 398 CG ASN A 28 20.086 -7.121 -9.199 1.00 0.00 C ATOM 399 OD1 ASN A 28 20.328 -7.866 -10.149 1.00 0.00 O ATOM 400 ND2 ASN A 28 21.026 -6.405 -8.593 1.00 0.00 N ATOM 0 H ASN A 28 17.279 -9.041 -8.444 1.00 0.00 H new ATOM 0 HA ASN A 28 19.454 -7.934 -6.900 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.969 -7.359 -9.398 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.450 -5.923 -8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 28 21.993 -6.460 -8.911 1.00 0.00 H new ATOM 0 HD22 ASN A 28 20.781 -5.800 -7.809 1.00 0.00 H new ATOM 407 N ALA A 29 18.235 -6.667 -5.169 1.00 0.00 N ATOM 408 CA ALA A 29 17.582 -5.856 -4.150 1.00 0.00 C ATOM 409 C ALA A 29 18.607 -5.125 -3.290 1.00 0.00 C ATOM 410 O ALA A 29 18.688 -5.345 -2.082 1.00 0.00 O ATOM 411 CB ALA A 29 16.683 -6.723 -3.280 1.00 0.00 C ATOM 0 H ALA A 29 19.129 -7.065 -4.882 1.00 0.00 H new ATOM 0 HA ALA A 29 16.970 -5.108 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 29 16.202 -6.103 -2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.921 -7.195 -3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 29 17.281 -7.493 -2.792 1.00 0.00 H new ATOM 417 N GLY A 30 19.390 -4.255 -3.921 1.00 0.00 N ATOM 418 CA GLY A 30 20.401 -3.506 -3.198 1.00 0.00 C ATOM 419 C GLY A 30 20.322 -2.017 -3.467 1.00 0.00 C ATOM 420 O GLY A 30 21.294 -1.288 -3.262 1.00 0.00 O ATOM 0 H GLY A 30 19.342 -4.056 -4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 30 20.287 -3.686 -2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 30 21.389 -3.871 -3.479 1.00 0.00 H new ATOM 424 N LYS A 31 19.163 -1.561 -3.931 1.00 0.00 N ATOM 425 CA LYS A 31 18.960 -0.149 -4.230 1.00 0.00 C ATOM 426 C LYS A 31 17.985 0.482 -3.242 1.00 0.00 C ATOM 427 O LYS A 31 18.027 1.687 -2.997 1.00 0.00 O ATOM 428 CB LYS A 31 18.437 0.021 -5.658 1.00 0.00 C ATOM 429 CG LYS A 31 19.523 0.352 -6.668 1.00 0.00 C ATOM 430 CD LYS A 31 20.183 -0.905 -7.208 1.00 0.00 C ATOM 431 CE LYS A 31 21.415 -0.575 -8.038 1.00 0.00 C ATOM 432 NZ LYS A 31 22.671 -0.744 -7.256 1.00 0.00 N ATOM 0 H LYS A 31 18.349 -2.150 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 31 19.921 0.358 -4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 31 17.935 -0.897 -5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 31 17.688 0.813 -5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 31 19.093 0.921 -7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 31 20.275 0.987 -6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 31 20.465 -1.554 -6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 31 19.469 -1.459 -7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 31 21.445 -1.219 -8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 31 21.346 0.452 -8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 23.488 -0.510 -7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 22.654 -0.111 -6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 22.749 -1.730 -6.934 1.00 0.00 H new ATOM 446 N MET A 32 17.107 -0.341 -2.676 1.00 0.00 N ATOM 447 CA MET A 32 16.123 0.138 -1.712 1.00 0.00 C ATOM 448 C MET A 32 16.802 0.868 -0.558 1.00 0.00 C ATOM 449 O MET A 32 17.765 0.369 0.025 1.00 0.00 O ATOM 450 CB MET A 32 15.295 -1.031 -1.175 1.00 0.00 C ATOM 451 CG MET A 32 13.981 -0.604 -0.541 1.00 0.00 C ATOM 452 SD MET A 32 13.086 -1.983 0.200 1.00 0.00 S ATOM 453 CE MET A 32 11.887 -2.337 -1.082 1.00 0.00 C ATOM 0 H MET A 32 17.057 -1.341 -2.868 1.00 0.00 H new ATOM 0 HA MET A 32 15.462 0.839 -2.222 1.00 0.00 H new ATOM 0 HB2 MET A 32 15.087 -1.723 -1.991 1.00 0.00 H new ATOM 0 HB3 MET A 32 15.885 -1.575 -0.437 1.00 0.00 H new ATOM 0 HG2 MET A 32 14.178 0.148 0.223 1.00 0.00 H new ATOM 0 HG3 MET A 32 13.353 -0.133 -1.298 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.677 -3.407 -1.099 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.966 -1.790 -0.880 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.287 -2.030 -2.049 1.00 0.00 H new ATOM 463 N LYS A 33 16.296 2.052 -0.233 1.00 0.00 N ATOM 464 CA LYS A 33 16.853 2.852 0.852 1.00 0.00 C ATOM 465 C LYS A 33 15.777 3.722 1.494 1.00 0.00 C ATOM 466 O LYS A 33 14.615 3.690 1.089 1.00 0.00 O ATOM 467 CB LYS A 33 17.992 3.732 0.332 1.00 0.00 C ATOM 468 CG LYS A 33 19.177 3.814 1.278 1.00 0.00 C ATOM 469 CD LYS A 33 20.495 3.672 0.534 1.00 0.00 C ATOM 470 CE LYS A 33 20.829 4.930 -0.252 1.00 0.00 C ATOM 471 NZ LYS A 33 21.811 4.660 -1.339 1.00 0.00 N ATOM 0 H LYS A 33 15.500 2.480 -0.706 1.00 0.00 H new ATOM 0 HA LYS A 33 17.244 2.171 1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.331 3.344 -0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.611 4.737 0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.157 4.767 1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 33 19.097 3.031 2.032 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.295 3.463 1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.441 2.821 -0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.916 5.343 -0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.233 5.684 0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.013 5.542 -1.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.691 4.290 -0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 21.415 3.959 -1.998 1.00 0.00 H new ATOM 485 N GLY A 34 16.172 4.500 2.497 1.00 0.00 N ATOM 486 CA GLY A 34 15.230 5.369 3.178 1.00 0.00 C ATOM 487 C GLY A 34 14.340 4.614 4.145 1.00 0.00 C ATOM 488 O GLY A 34 14.828 3.887 5.011 1.00 0.00 O ATOM 0 H GLY A 34 17.128 4.544 2.850 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.778 6.140 3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.610 5.877 2.440 1.00 0.00 H new ATOM 492 N SER A 35 13.030 4.786 4.000 1.00 0.00 N ATOM 493 CA SER A 35 12.070 4.119 4.871 1.00 0.00 C ATOM 494 C SER A 35 11.893 2.659 4.468 1.00 0.00 C ATOM 495 O SER A 35 10.798 2.232 4.103 1.00 0.00 O ATOM 496 CB SER A 35 10.721 4.840 4.824 1.00 0.00 C ATOM 497 OG SER A 35 10.836 6.170 5.300 1.00 0.00 O ATOM 0 H SER A 35 12.609 5.382 3.287 1.00 0.00 H new ATOM 0 HA SER A 35 12.457 4.152 5.889 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.345 4.848 3.801 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.994 4.296 5.427 1.00 0.00 H new ATOM 0 HG SER A 35 9.961 6.609 5.258 1.00 0.00 H new ATOM 503 N ASP A 36 12.980 1.897 4.537 1.00 0.00 N ATOM 504 CA ASP A 36 12.946 0.483 4.181 1.00 0.00 C ATOM 505 C ASP A 36 11.902 -0.261 5.007 1.00 0.00 C ATOM 506 O ASP A 36 11.372 -1.285 4.578 1.00 0.00 O ATOM 507 CB ASP A 36 14.323 -0.149 4.387 1.00 0.00 C ATOM 508 CG ASP A 36 15.420 0.601 3.658 1.00 0.00 C ATOM 509 OD1 ASP A 36 15.151 1.123 2.555 1.00 0.00 O ATOM 510 OD2 ASP A 36 16.548 0.666 4.189 1.00 0.00 O ATOM 0 H ASP A 36 13.895 2.235 4.836 1.00 0.00 H new ATOM 0 HA ASP A 36 12.672 0.405 3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.551 -0.176 5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.301 -1.182 4.040 1.00 0.00 H new ATOM 515 N ASN A 37 11.611 0.262 6.194 1.00 0.00 N ATOM 516 CA ASN A 37 10.631 -0.354 7.081 1.00 0.00 C ATOM 517 C ASN A 37 9.239 -0.322 6.459 1.00 0.00 C ATOM 518 O ASN A 37 8.533 -1.330 6.442 1.00 0.00 O ATOM 519 CB ASN A 37 10.615 0.362 8.433 1.00 0.00 C ATOM 520 CG ASN A 37 11.841 0.048 9.268 1.00 0.00 C ATOM 521 OD1 ASN A 37 12.964 0.039 8.764 1.00 0.00 O ATOM 522 ND2 ASN A 37 11.631 -0.212 10.553 1.00 0.00 N ATOM 0 H ASN A 37 12.040 1.111 6.564 1.00 0.00 H new ATOM 0 HA ASN A 37 10.918 -1.395 7.232 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.555 1.438 8.270 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.720 0.073 8.984 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.418 -0.430 11.164 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.683 -0.193 10.929 1.00 0.00 H new ATOM 529 N GLN A 38 8.851 0.843 5.949 1.00 0.00 N ATOM 530 CA GLN A 38 7.543 1.006 5.327 1.00 0.00 C ATOM 531 C GLN A 38 7.567 0.531 3.877 1.00 0.00 C ATOM 532 O GLN A 38 6.549 0.093 3.341 1.00 0.00 O ATOM 533 CB GLN A 38 7.104 2.470 5.389 1.00 0.00 C ATOM 534 CG GLN A 38 5.855 2.695 6.227 1.00 0.00 C ATOM 535 CD GLN A 38 6.143 2.693 7.715 1.00 0.00 C ATOM 536 OE1 GLN A 38 6.412 3.738 8.308 1.00 0.00 O ATOM 537 NE2 GLN A 38 6.087 1.517 8.328 1.00 0.00 N ATOM 0 H GLN A 38 9.424 1.687 5.955 1.00 0.00 H new ATOM 0 HA GLN A 38 6.828 0.396 5.879 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.918 3.068 5.798 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.922 2.829 4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.403 3.647 5.950 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.125 1.917 6.001 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.860 0.676 7.798 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.271 1.455 9.329 1.00 0.00 H new ATOM 546 N GLU A 39 8.735 0.622 3.249 1.00 0.00 N ATOM 547 CA GLU A 39 8.890 0.203 1.861 1.00 0.00 C ATOM 548 C GLU A 39 8.829 -1.317 1.742 1.00 0.00 C ATOM 549 O GLU A 39 8.185 -1.856 0.841 1.00 0.00 O ATOM 550 CB GLU A 39 10.215 0.717 1.295 1.00 0.00 C ATOM 551 CG GLU A 39 10.069 1.966 0.442 1.00 0.00 C ATOM 552 CD GLU A 39 10.520 3.221 1.164 1.00 0.00 C ATOM 553 OE1 GLU A 39 11.687 3.264 1.606 1.00 0.00 O ATOM 554 OE2 GLU A 39 9.706 4.160 1.288 1.00 0.00 O ATOM 0 H GLU A 39 9.587 0.982 3.679 1.00 0.00 H new ATOM 0 HA GLU A 39 8.068 0.629 1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.895 0.928 2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.674 -0.070 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.652 1.848 -0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.027 2.078 0.143 1.00 0.00 H new ATOM 561 N LYS A 40 9.504 -2.004 2.657 1.00 0.00 N ATOM 562 CA LYS A 40 9.528 -3.462 2.657 1.00 0.00 C ATOM 563 C LYS A 40 8.128 -4.029 2.872 1.00 0.00 C ATOM 564 O LYS A 40 7.747 -5.023 2.252 1.00 0.00 O ATOM 565 CB LYS A 40 10.471 -3.977 3.746 1.00 0.00 C ATOM 566 CG LYS A 40 11.938 -3.929 3.353 1.00 0.00 C ATOM 567 CD LYS A 40 12.843 -3.977 4.572 1.00 0.00 C ATOM 568 CE LYS A 40 13.347 -5.388 4.837 1.00 0.00 C ATOM 569 NZ LYS A 40 14.821 -5.495 4.647 1.00 0.00 N ATOM 0 H LYS A 40 10.042 -1.574 3.409 1.00 0.00 H new ATOM 0 HA LYS A 40 9.890 -3.795 1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.326 -3.385 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.203 -5.005 3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.167 -4.767 2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.135 -3.018 2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.691 -3.309 4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.300 -3.614 5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.090 -5.680 5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.843 -6.085 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.126 -6.471 4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.064 -5.240 3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.303 -4.848 5.303 1.00 0.00 H new ATOM 583 N LEU A 41 7.365 -3.390 3.753 1.00 0.00 N ATOM 584 CA LEU A 41 6.006 -3.830 4.049 1.00 0.00 C ATOM 585 C LEU A 41 5.158 -3.866 2.782 1.00 0.00 C ATOM 586 O LEU A 41 4.348 -4.774 2.590 1.00 0.00 O ATOM 587 CB LEU A 41 5.363 -2.903 5.081 1.00 0.00 C ATOM 588 CG LEU A 41 3.875 -3.130 5.353 1.00 0.00 C ATOM 589 CD1 LEU A 41 3.667 -4.412 6.145 1.00 0.00 C ATOM 590 CD2 LEU A 41 3.280 -1.941 6.092 1.00 0.00 C ATOM 0 H LEU A 41 7.664 -2.566 4.274 1.00 0.00 H new ATOM 0 HA LEU A 41 6.057 -4.839 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.904 -3.009 6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.498 -1.874 4.749 1.00 0.00 H new ATOM 0 HG LEU A 41 3.362 -3.231 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.603 -4.557 6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.056 -5.257 5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.194 -4.341 7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.221 -2.120 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.797 -1.808 7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.395 -1.042 5.487 1.00 0.00 H new ATOM 602 N VAL A 42 5.349 -2.874 1.919 1.00 0.00 N ATOM 603 CA VAL A 42 4.604 -2.793 0.668 1.00 0.00 C ATOM 604 C VAL A 42 5.176 -3.747 -0.374 1.00 0.00 C ATOM 605 O VAL A 42 4.446 -4.533 -0.979 1.00 0.00 O ATOM 606 CB VAL A 42 4.615 -1.362 0.099 1.00 0.00 C ATOM 607 CG1 VAL A 42 3.840 -1.301 -1.208 1.00 0.00 C ATOM 608 CG2 VAL A 42 4.045 -0.382 1.113 1.00 0.00 C ATOM 0 H VAL A 42 6.014 -2.114 2.063 1.00 0.00 H new ATOM 0 HA VAL A 42 3.576 -3.078 0.893 1.00 0.00 H new ATOM 0 HB VAL A 42 5.647 -1.079 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.859 -0.282 -1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.297 -1.973 -1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.808 -1.604 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.060 0.624 0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.018 -0.661 1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.647 -0.407 2.021 1.00 0.00 H new ATOM 618 N TYR A 43 6.486 -3.674 -0.580 1.00 0.00 N ATOM 619 CA TYR A 43 7.157 -4.530 -1.551 1.00 0.00 C ATOM 620 C TYR A 43 6.839 -6.000 -1.292 1.00 0.00 C ATOM 621 O TYR A 43 6.743 -6.798 -2.224 1.00 0.00 O ATOM 622 CB TYR A 43 8.669 -4.307 -1.501 1.00 0.00 C ATOM 623 CG TYR A 43 9.432 -5.090 -2.545 1.00 0.00 C ATOM 624 CD1 TYR A 43 9.894 -6.373 -2.281 1.00 0.00 C ATOM 625 CD2 TYR A 43 9.690 -4.547 -3.798 1.00 0.00 C ATOM 626 CE1 TYR A 43 10.592 -7.092 -3.232 1.00 0.00 C ATOM 627 CE2 TYR A 43 10.385 -5.258 -4.756 1.00 0.00 C ATOM 628 CZ TYR A 43 10.835 -6.530 -4.468 1.00 0.00 C ATOM 629 OH TYR A 43 11.528 -7.243 -5.419 1.00 0.00 O ATOM 0 H TYR A 43 7.105 -3.030 -0.087 1.00 0.00 H new ATOM 0 HA TYR A 43 6.791 -4.267 -2.543 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.876 -3.245 -1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.036 -4.583 -0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.704 -6.817 -1.315 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.341 -3.551 -4.026 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.945 -8.088 -3.009 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.575 -4.821 -5.725 1.00 0.00 H new ATOM 0 HH TYR A 43 11.613 -6.705 -6.234 1.00 0.00 H new ATOM 639 N GLN A 44 6.678 -6.349 -0.020 1.00 0.00 N ATOM 640 CA GLN A 44 6.371 -7.722 0.362 1.00 0.00 C ATOM 641 C GLN A 44 5.002 -8.140 -0.163 1.00 0.00 C ATOM 642 O GLN A 44 4.834 -9.249 -0.673 1.00 0.00 O ATOM 643 CB GLN A 44 6.414 -7.872 1.884 1.00 0.00 C ATOM 644 CG GLN A 44 7.822 -7.996 2.444 1.00 0.00 C ATOM 645 CD GLN A 44 8.348 -9.417 2.391 1.00 0.00 C ATOM 646 OE1 GLN A 44 8.088 -10.220 3.287 1.00 0.00 O ATOM 647 NE2 GLN A 44 9.091 -9.734 1.338 1.00 0.00 N ATOM 0 H GLN A 44 6.755 -5.700 0.763 1.00 0.00 H new ATOM 0 HA GLN A 44 7.124 -8.373 -0.082 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.925 -7.011 2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.839 -8.753 2.170 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.491 -7.344 1.883 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.830 -7.648 3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.281 -9.036 0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.472 -10.676 1.248 1.00 0.00 H new ATOM 656 N ILE A 45 4.026 -7.247 -0.035 1.00 0.00 N ATOM 657 CA ILE A 45 2.672 -7.525 -0.498 1.00 0.00 C ATOM 658 C ILE A 45 2.619 -7.617 -2.020 1.00 0.00 C ATOM 659 O ILE A 45 2.006 -8.530 -2.575 1.00 0.00 O ATOM 660 CB ILE A 45 1.683 -6.442 -0.027 1.00 0.00 C ATOM 661 CG1 ILE A 45 1.723 -6.314 1.497 1.00 0.00 C ATOM 662 CG2 ILE A 45 0.275 -6.769 -0.500 1.00 0.00 C ATOM 663 CD1 ILE A 45 1.020 -5.079 2.018 1.00 0.00 C ATOM 0 H ILE A 45 4.148 -6.326 0.385 1.00 0.00 H new ATOM 0 HA ILE A 45 2.382 -8.484 -0.068 1.00 0.00 H new ATOM 0 HB ILE A 45 1.978 -5.487 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.264 -7.198 1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.762 -6.296 1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.412 -5.995 -0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.259 -6.815 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.032 -7.732 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.088 -5.053 3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.493 -4.189 1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.028 -5.104 1.720 1.00 0.00 H new ATOM 675 N ILE A 46 3.267 -6.669 -2.687 1.00 0.00 N ATOM 676 CA ILE A 46 3.297 -6.646 -4.144 1.00 0.00 C ATOM 677 C ILE A 46 4.029 -7.863 -4.699 1.00 0.00 C ATOM 678 O ILE A 46 3.698 -8.361 -5.775 1.00 0.00 O ATOM 679 CB ILE A 46 3.975 -5.368 -4.673 1.00 0.00 C ATOM 680 CG1 ILE A 46 3.269 -4.126 -4.126 1.00 0.00 C ATOM 681 CG2 ILE A 46 3.973 -5.358 -6.195 1.00 0.00 C ATOM 682 CD1 ILE A 46 4.024 -2.840 -4.382 1.00 0.00 C ATOM 0 H ILE A 46 3.778 -5.907 -2.242 1.00 0.00 H new ATOM 0 HA ILE A 46 2.260 -6.664 -4.481 1.00 0.00 H new ATOM 0 HB ILE A 46 5.010 -5.355 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.279 -4.053 -4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.123 -4.244 -3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.455 -4.449 -6.554 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.516 -6.227 -6.565 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.946 -5.391 -6.558 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.465 -2.001 -3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.004 -2.893 -3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.148 -2.698 -5.456 1.00 0.00 H new ATOM 694 N GLU A 47 5.023 -8.338 -3.956 1.00 0.00 N ATOM 695 CA GLU A 47 5.801 -9.499 -4.374 1.00 0.00 C ATOM 696 C GLU A 47 4.940 -10.759 -4.375 1.00 0.00 C ATOM 697 O GLU A 47 5.008 -11.569 -5.300 1.00 0.00 O ATOM 698 CB GLU A 47 7.006 -9.692 -3.451 1.00 0.00 C ATOM 699 CG GLU A 47 7.801 -10.953 -3.744 1.00 0.00 C ATOM 700 CD GLU A 47 7.333 -12.142 -2.927 1.00 0.00 C ATOM 701 OE1 GLU A 47 7.299 -12.030 -1.684 1.00 0.00 O ATOM 702 OE2 GLU A 47 6.999 -13.183 -3.530 1.00 0.00 O ATOM 0 H GLU A 47 5.309 -7.938 -3.062 1.00 0.00 H new ATOM 0 HA GLU A 47 6.155 -9.321 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.665 -8.828 -3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.660 -9.722 -2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.719 -11.191 -4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.856 -10.769 -3.539 1.00 0.00 H new ATOM 709 N ASP A 48 4.132 -10.917 -3.332 1.00 0.00 N ATOM 710 CA ASP A 48 3.257 -12.078 -3.212 1.00 0.00 C ATOM 711 C ASP A 48 2.246 -12.116 -4.354 1.00 0.00 C ATOM 712 O ASP A 48 1.763 -13.183 -4.733 1.00 0.00 O ATOM 713 CB ASP A 48 2.528 -12.056 -1.868 1.00 0.00 C ATOM 714 CG ASP A 48 2.776 -13.311 -1.054 1.00 0.00 C ATOM 715 OD1 ASP A 48 2.560 -14.418 -1.590 1.00 0.00 O ATOM 716 OD2 ASP A 48 3.187 -13.186 0.118 1.00 0.00 O ATOM 0 H ASP A 48 4.065 -10.256 -2.558 1.00 0.00 H new ATOM 0 HA ASP A 48 3.873 -12.975 -3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.852 -11.186 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.458 -11.944 -2.040 1.00 0.00 H new ATOM 721 N ALA A 49 1.928 -10.945 -4.896 1.00 0.00 N ATOM 722 CA ALA A 49 0.975 -10.845 -5.994 1.00 0.00 C ATOM 723 C ALA A 49 1.504 -11.539 -7.245 1.00 0.00 C ATOM 724 O ALA A 49 0.732 -11.984 -8.093 1.00 0.00 O ATOM 725 CB ALA A 49 0.662 -9.386 -6.290 1.00 0.00 C ATOM 0 H ALA A 49 2.317 -10.052 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 49 0.056 -11.348 -5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.051 -9.326 -7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.233 -8.919 -5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.579 -8.866 -6.567 1.00 0.00 H new ATOM 731 N GLY A 50 2.826 -11.628 -7.353 1.00 0.00 N ATOM 732 CA GLY A 50 3.435 -12.268 -8.504 1.00 0.00 C ATOM 733 C GLY A 50 2.941 -11.694 -9.817 1.00 0.00 C ATOM 734 O GLY A 50 2.865 -10.477 -9.979 1.00 0.00 O ATOM 0 H GLY A 50 3.486 -11.268 -6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.518 -12.156 -8.447 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.223 -13.337 -8.476 1.00 0.00 H new ATOM 738 N ASN A 51 2.605 -12.572 -10.756 1.00 0.00 N ATOM 739 CA ASN A 51 2.117 -12.144 -12.062 1.00 0.00 C ATOM 740 C ASN A 51 0.706 -11.574 -11.956 1.00 0.00 C ATOM 741 O ASN A 51 0.307 -10.721 -12.749 1.00 0.00 O ATOM 742 CB ASN A 51 2.132 -13.318 -13.044 1.00 0.00 C ATOM 743 CG ASN A 51 3.405 -13.368 -13.866 1.00 0.00 C ATOM 744 OD1 ASN A 51 4.341 -12.604 -13.628 1.00 0.00 O ATOM 745 ND2 ASN A 51 3.446 -14.270 -14.839 1.00 0.00 N ATOM 0 H ASN A 51 2.662 -13.583 -10.637 1.00 0.00 H new ATOM 0 HA ASN A 51 2.779 -11.361 -12.431 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.022 -14.251 -12.492 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.274 -13.240 -13.712 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.277 -14.350 -15.425 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.647 -14.883 -15.000 1.00 0.00 H new ATOM 752 N LYS A 52 -0.046 -12.050 -10.969 1.00 0.00 N ATOM 753 CA LYS A 52 -1.412 -11.587 -10.756 1.00 0.00 C ATOM 754 C LYS A 52 -1.438 -10.096 -10.433 1.00 0.00 C ATOM 755 O LYS A 52 -2.391 -9.395 -10.768 1.00 0.00 O ATOM 756 CB LYS A 52 -2.069 -12.376 -9.621 1.00 0.00 C ATOM 757 CG LYS A 52 -1.911 -13.881 -9.757 1.00 0.00 C ATOM 758 CD LYS A 52 -2.823 -14.626 -8.796 1.00 0.00 C ATOM 759 CE LYS A 52 -2.072 -15.083 -7.555 1.00 0.00 C ATOM 760 NZ LYS A 52 -2.987 -15.298 -6.401 1.00 0.00 N ATOM 0 H LYS A 52 0.268 -12.757 -10.304 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.972 -11.751 -11.677 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.638 -12.058 -8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.131 -12.132 -9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.137 -14.181 -10.780 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.874 -14.158 -9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.651 -13.980 -8.504 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.255 -15.491 -9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.539 -16.008 -7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.322 -14.338 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.437 -15.609 -5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.477 -14.409 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.688 -16.027 -6.645 1.00 0.00 H new ATOM 774 N GLY A 53 -0.382 -9.618 -9.781 1.00 0.00 N ATOM 775 CA GLY A 53 -0.303 -8.213 -9.426 1.00 0.00 C ATOM 776 C GLY A 53 -1.289 -7.834 -8.339 1.00 0.00 C ATOM 777 O GLY A 53 -2.291 -8.521 -8.133 1.00 0.00 O ATOM 0 H GLY A 53 0.420 -10.179 -9.493 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.708 -7.982 -9.092 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.492 -7.606 -10.312 1.00 0.00 H new ATOM 781 N ILE A 54 -1.006 -6.740 -7.641 1.00 0.00 N ATOM 782 CA ILE A 54 -1.876 -6.272 -6.569 1.00 0.00 C ATOM 783 C ILE A 54 -2.356 -4.849 -6.833 1.00 0.00 C ATOM 784 O ILE A 54 -1.569 -3.974 -7.193 1.00 0.00 O ATOM 785 CB ILE A 54 -1.163 -6.316 -5.205 1.00 0.00 C ATOM 786 CG1 ILE A 54 -2.145 -5.983 -4.080 1.00 0.00 C ATOM 787 CG2 ILE A 54 0.014 -5.352 -5.191 1.00 0.00 C ATOM 788 CD1 ILE A 54 -2.068 -6.937 -2.909 1.00 0.00 C ATOM 0 H ILE A 54 -0.181 -6.161 -7.798 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.734 -6.944 -6.543 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.783 -7.325 -5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.950 -4.970 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.159 -5.992 -4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.508 -5.395 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.722 -5.631 -5.971 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.344 -4.338 -5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.792 -6.640 -2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.292 -7.948 -3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.065 -6.911 -2.484 1.00 0.00 H new ATOM 800 N TRP A 55 -3.652 -4.624 -6.649 1.00 0.00 N ATOM 801 CA TRP A 55 -4.238 -3.306 -6.866 1.00 0.00 C ATOM 802 C TRP A 55 -3.833 -2.342 -5.757 1.00 0.00 C ATOM 803 O TRP A 55 -3.635 -2.747 -4.611 1.00 0.00 O ATOM 804 CB TRP A 55 -5.762 -3.408 -6.939 1.00 0.00 C ATOM 805 CG TRP A 55 -6.246 -4.275 -8.062 1.00 0.00 C ATOM 806 CD1 TRP A 55 -6.407 -5.631 -8.040 1.00 0.00 C ATOM 807 CD2 TRP A 55 -6.630 -3.844 -9.373 1.00 0.00 C ATOM 808 NE1 TRP A 55 -6.868 -6.069 -9.258 1.00 0.00 N ATOM 809 CE2 TRP A 55 -7.014 -4.993 -10.092 1.00 0.00 C ATOM 810 CE3 TRP A 55 -6.690 -2.601 -10.007 1.00 0.00 C ATOM 811 CZ2 TRP A 55 -7.449 -4.932 -11.414 1.00 0.00 C ATOM 812 CZ3 TRP A 55 -7.121 -2.542 -11.319 1.00 0.00 C ATOM 813 CH2 TRP A 55 -7.497 -3.702 -12.010 1.00 0.00 C ATOM 0 H TRP A 55 -4.317 -5.337 -6.350 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.862 -2.920 -7.813 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.138 -3.804 -5.996 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.181 -2.408 -7.055 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.202 -6.266 -7.190 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.069 -7.039 -9.502 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.405 -1.702 -9.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.738 -5.824 -11.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.169 -1.586 -11.820 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.831 -3.623 -13.034 1.00 0.00 H new ATOM 824 N SER A 56 -3.713 -1.064 -6.103 1.00 0.00 N ATOM 825 CA SER A 56 -3.328 -0.043 -5.137 1.00 0.00 C ATOM 826 C SER A 56 -4.222 -0.099 -3.902 1.00 0.00 C ATOM 827 O SER A 56 -3.796 0.239 -2.797 1.00 0.00 O ATOM 828 CB SER A 56 -3.404 1.347 -5.773 1.00 0.00 C ATOM 829 OG SER A 56 -3.692 2.337 -4.802 1.00 0.00 O ATOM 0 H SER A 56 -3.877 -0.711 -7.046 1.00 0.00 H new ATOM 0 HA SER A 56 -2.301 -0.238 -4.830 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.458 1.578 -6.263 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.174 1.356 -6.545 1.00 0.00 H new ATOM 0 HG SER A 56 -3.734 3.216 -5.233 1.00 0.00 H new ATOM 835 N ARG A 57 -5.465 -0.527 -4.098 1.00 0.00 N ATOM 836 CA ARG A 57 -6.421 -0.627 -3.002 1.00 0.00 C ATOM 837 C ARG A 57 -6.092 -1.813 -2.100 1.00 0.00 C ATOM 838 O ARG A 57 -6.110 -1.696 -0.875 1.00 0.00 O ATOM 839 CB ARG A 57 -7.843 -0.767 -3.549 1.00 0.00 C ATOM 840 CG ARG A 57 -8.787 0.327 -3.077 1.00 0.00 C ATOM 841 CD ARG A 57 -10.123 0.259 -3.800 1.00 0.00 C ATOM 842 NE ARG A 57 -11.246 0.508 -2.900 1.00 0.00 N ATOM 843 CZ ARG A 57 -12.516 0.317 -3.239 1.00 0.00 C ATOM 844 NH1 ARG A 57 -12.823 -0.123 -4.452 1.00 0.00 N ATOM 845 NH2 ARG A 57 -13.482 0.566 -2.365 1.00 0.00 N ATOM 0 H ARG A 57 -5.833 -0.810 -5.006 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.355 0.286 -2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.807 -0.759 -4.638 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.244 -1.735 -3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.948 0.232 -2.003 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.330 1.302 -3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.136 0.992 -4.607 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.237 -0.723 -4.259 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.044 0.847 -1.960 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.083 -0.316 -5.127 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.799 -0.269 -4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.250 0.905 -1.431 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.457 0.419 -2.627 1.00 0.00 H new ATOM 859 N ASP A 58 -5.793 -2.952 -2.714 1.00 0.00 N ATOM 860 CA ASP A 58 -5.460 -4.159 -1.967 1.00 0.00 C ATOM 861 C ASP A 58 -4.191 -3.956 -1.145 1.00 0.00 C ATOM 862 O ASP A 58 -4.209 -4.068 0.081 1.00 0.00 O ATOM 863 CB ASP A 58 -5.281 -5.341 -2.921 1.00 0.00 C ATOM 864 CG ASP A 58 -6.541 -6.174 -3.053 1.00 0.00 C ATOM 865 OD1 ASP A 58 -6.879 -6.896 -2.092 1.00 0.00 O ATOM 866 OD2 ASP A 58 -7.189 -6.103 -4.118 1.00 0.00 O ATOM 0 H ASP A 58 -5.774 -3.065 -3.728 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.283 -4.374 -1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.989 -4.970 -3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.467 -5.972 -2.564 1.00 0.00 H new ATOM 871 N VAL A 59 -3.091 -3.657 -1.828 1.00 0.00 N ATOM 872 CA VAL A 59 -1.813 -3.439 -1.161 1.00 0.00 C ATOM 873 C VAL A 59 -1.943 -2.404 -0.049 1.00 0.00 C ATOM 874 O VAL A 59 -1.209 -2.443 0.939 1.00 0.00 O ATOM 875 CB VAL A 59 -0.733 -2.973 -2.156 1.00 0.00 C ATOM 876 CG1 VAL A 59 -1.188 -1.723 -2.893 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.584 -2.727 -1.436 1.00 0.00 C ATOM 0 H VAL A 59 -3.059 -3.560 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.513 -4.395 -0.731 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.577 -3.762 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.412 -1.409 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.105 -1.938 -3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.374 -0.925 -2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.335 -2.399 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.446 -1.957 -0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.916 -3.649 -0.960 1.00 0.00 H new ATOM 887 N ARG A 60 -2.883 -1.479 -0.216 1.00 0.00 N ATOM 888 CA ARG A 60 -3.109 -0.433 0.774 1.00 0.00 C ATOM 889 C ARG A 60 -3.803 -0.995 2.011 1.00 0.00 C ATOM 890 O ARG A 60 -3.443 -0.665 3.141 1.00 0.00 O ATOM 891 CB ARG A 60 -3.951 0.694 0.172 1.00 0.00 C ATOM 892 CG ARG A 60 -4.213 1.840 1.136 1.00 0.00 C ATOM 893 CD ARG A 60 -5.648 2.333 1.037 1.00 0.00 C ATOM 894 NE ARG A 60 -6.505 1.731 2.055 1.00 0.00 N ATOM 895 CZ ARG A 60 -7.740 2.145 2.315 1.00 0.00 C ATOM 896 NH1 ARG A 60 -8.260 3.158 1.636 1.00 0.00 N ATOM 897 NH2 ARG A 60 -8.458 1.546 3.256 1.00 0.00 N ATOM 0 H ARG A 60 -3.500 -1.433 -1.027 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.139 -0.035 1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.445 1.082 -0.712 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.905 0.285 -0.161 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.009 1.513 2.156 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.529 2.661 0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.667 3.418 1.143 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.043 2.102 0.048 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.135 0.950 2.596 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.711 3.622 0.912 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.209 3.474 1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.062 0.766 3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.406 1.865 3.455 1.00 0.00 H new ATOM 911 N TYR A 61 -4.799 -1.846 1.788 1.00 0.00 N ATOM 912 CA TYR A 61 -5.545 -2.452 2.884 1.00 0.00 C ATOM 913 C TYR A 61 -4.635 -3.318 3.750 1.00 0.00 C ATOM 914 O TYR A 61 -4.626 -3.200 4.975 1.00 0.00 O ATOM 915 CB TYR A 61 -6.700 -3.293 2.339 1.00 0.00 C ATOM 916 CG TYR A 61 -7.999 -3.098 3.088 1.00 0.00 C ATOM 917 CD1 TYR A 61 -8.537 -1.829 3.265 1.00 0.00 C ATOM 918 CD2 TYR A 61 -8.687 -4.181 3.620 1.00 0.00 C ATOM 919 CE1 TYR A 61 -9.722 -1.645 3.950 1.00 0.00 C ATOM 920 CE2 TYR A 61 -9.874 -4.007 4.305 1.00 0.00 C ATOM 921 CZ TYR A 61 -10.387 -2.737 4.467 1.00 0.00 C ATOM 922 OH TYR A 61 -11.569 -2.559 5.150 1.00 0.00 O ATOM 0 H TYR A 61 -5.108 -2.131 0.859 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.948 -1.650 3.502 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.855 -3.044 1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.422 -4.346 2.379 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.020 -0.972 2.860 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.287 -5.177 3.496 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.126 -0.652 4.080 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.397 -4.860 4.711 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.909 -3.429 5.448 1.00 0.00 H new ATOM 932 N LYS A 62 -3.868 -4.190 3.103 1.00 0.00 N ATOM 933 CA LYS A 62 -2.952 -5.076 3.810 1.00 0.00 C ATOM 934 C LYS A 62 -1.828 -4.283 4.470 1.00 0.00 C ATOM 935 O LYS A 62 -1.304 -4.680 5.510 1.00 0.00 O ATOM 936 CB LYS A 62 -2.364 -6.109 2.846 1.00 0.00 C ATOM 937 CG LYS A 62 -3.366 -7.154 2.388 1.00 0.00 C ATOM 938 CD LYS A 62 -2.675 -8.358 1.770 1.00 0.00 C ATOM 939 CE LYS A 62 -2.027 -9.234 2.830 1.00 0.00 C ATOM 940 NZ LYS A 62 -0.829 -9.947 2.305 1.00 0.00 N ATOM 0 H LYS A 62 -3.863 -4.301 2.089 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.514 -5.592 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.965 -5.593 1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.526 -6.610 3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.970 -7.476 3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.047 -6.712 1.661 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.400 -8.944 1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.917 -8.021 1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.739 -8.619 3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.753 -9.962 3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.416 -10.533 3.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.108 -10.554 1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.125 -9.252 1.982 1.00 0.00 H new ATOM 954 N SER A 63 -1.465 -3.160 3.858 1.00 0.00 N ATOM 955 CA SER A 63 -0.402 -2.312 4.386 1.00 0.00 C ATOM 956 C SER A 63 -0.914 -1.453 5.538 1.00 0.00 C ATOM 957 O SER A 63 -0.145 -1.029 6.399 1.00 0.00 O ATOM 958 CB SER A 63 0.163 -1.419 3.279 1.00 0.00 C ATOM 959 OG SER A 63 0.954 -2.168 2.374 1.00 0.00 O ATOM 0 H SER A 63 -1.891 -2.816 2.997 1.00 0.00 H new ATOM 0 HA SER A 63 0.392 -2.957 4.763 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.655 -0.940 2.741 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.764 -0.624 3.720 1.00 0.00 H new ATOM 0 HG SER A 63 0.440 -2.345 1.559 1.00 0.00 H new ATOM 965 N ASN A 64 -2.219 -1.200 5.545 1.00 0.00 N ATOM 966 CA ASN A 64 -2.835 -0.391 6.590 1.00 0.00 C ATOM 967 C ASN A 64 -2.293 1.035 6.564 1.00 0.00 C ATOM 968 O ASN A 64 -2.147 1.675 7.606 1.00 0.00 O ATOM 969 CB ASN A 64 -2.585 -1.018 7.963 1.00 0.00 C ATOM 970 CG ASN A 64 -3.486 -0.438 9.036 1.00 0.00 C ATOM 971 OD1 ASN A 64 -4.709 -0.562 8.969 1.00 0.00 O ATOM 972 ND2 ASN A 64 -2.884 0.200 10.033 1.00 0.00 N ATOM 0 H ASN A 64 -2.870 -1.544 4.839 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.908 -0.357 6.403 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.744 -2.095 7.902 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.543 -0.865 8.245 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.438 0.611 10.784 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.867 0.279 10.048 1.00 0.00 H new ATOM 979 N LEU A 65 -1.998 1.528 5.366 1.00 0.00 N ATOM 980 CA LEU A 65 -1.473 2.879 5.203 1.00 0.00 C ATOM 981 C LEU A 65 -2.415 3.731 4.357 1.00 0.00 C ATOM 982 O LEU A 65 -3.037 3.255 3.407 1.00 0.00 O ATOM 983 CB LEU A 65 -0.088 2.835 4.556 1.00 0.00 C ATOM 984 CG LEU A 65 0.868 1.767 5.089 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.124 1.700 4.234 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.224 2.047 6.542 1.00 0.00 C ATOM 0 H LEU A 65 -2.113 1.012 4.494 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.391 3.332 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.214 2.679 3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.382 3.810 4.683 1.00 0.00 H new ATOM 0 HG LEU A 65 0.367 0.800 5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.792 0.935 4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.853 1.451 3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.628 2.666 4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.905 1.277 6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.706 3.022 6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.317 2.043 7.146 1.00 0.00 H new ATOM 998 N PRO A 66 -2.522 5.021 4.707 1.00 0.00 N ATOM 999 CA PRO A 66 -3.383 5.967 3.991 1.00 0.00 C ATOM 1000 C PRO A 66 -2.858 6.288 2.596 1.00 0.00 C ATOM 1001 O PRO A 66 -1.673 6.109 2.312 1.00 0.00 O ATOM 1002 CB PRO A 66 -3.351 7.216 4.875 1.00 0.00 C ATOM 1003 CG PRO A 66 -2.060 7.123 5.614 1.00 0.00 C ATOM 1004 CD PRO A 66 -1.810 5.656 5.829 1.00 0.00 C ATOM 0 HA PRO A 66 -4.384 5.566 3.832 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.400 8.126 4.277 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.199 7.238 5.560 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.250 7.577 5.043 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.116 7.653 6.565 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.745 5.423 5.813 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.195 5.319 6.792 1.00 0.00 H new ATOM 1012 N LEU A 67 -3.746 6.762 1.729 1.00 0.00 N ATOM 1013 CA LEU A 67 -3.371 7.109 0.363 1.00 0.00 C ATOM 1014 C LEU A 67 -2.166 8.043 0.349 1.00 0.00 C ATOM 1015 O LEU A 67 -1.326 7.979 -0.549 1.00 0.00 O ATOM 1016 CB LEU A 67 -4.549 7.767 -0.358 1.00 0.00 C ATOM 1017 CG LEU A 67 -5.233 8.916 0.383 1.00 0.00 C ATOM 1018 CD1 LEU A 67 -4.827 10.254 -0.216 1.00 0.00 C ATOM 1019 CD2 LEU A 67 -6.745 8.750 0.346 1.00 0.00 C ATOM 0 H LEU A 67 -4.730 6.915 1.948 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.101 6.190 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.198 8.140 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.295 7.000 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.911 8.894 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.324 11.060 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.747 10.375 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.119 10.287 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.215 9.577 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.085 8.745 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.019 7.809 0.823 1.00 0.00 H new ATOM 1031 N THR A 68 -2.085 8.912 1.353 1.00 0.00 N ATOM 1032 CA THR A 68 -0.982 9.859 1.457 1.00 0.00 C ATOM 1033 C THR A 68 0.357 9.135 1.552 1.00 0.00 C ATOM 1034 O THR A 68 1.366 9.610 1.033 1.00 0.00 O ATOM 1035 CB THR A 68 -1.144 10.777 2.683 1.00 0.00 C ATOM 1036 OG1 THR A 68 -0.878 10.043 3.884 1.00 0.00 O ATOM 1037 CG2 THR A 68 -2.548 11.360 2.740 1.00 0.00 C ATOM 0 H THR A 68 -2.771 8.979 2.105 1.00 0.00 H new ATOM 0 HA THR A 68 -1.000 10.467 0.552 1.00 0.00 H new ATOM 0 HB THR A 68 -0.430 11.596 2.593 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.982 10.634 4.659 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.639 12.005 3.614 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.737 11.942 1.838 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.275 10.551 2.809 1.00 0.00 H new ATOM 1045 N GLU A 69 0.357 7.985 2.218 1.00 0.00 N ATOM 1046 CA GLU A 69 1.573 7.197 2.379 1.00 0.00 C ATOM 1047 C GLU A 69 1.841 6.348 1.140 1.00 0.00 C ATOM 1048 O GLU A 69 2.891 6.467 0.509 1.00 0.00 O ATOM 1049 CB GLU A 69 1.464 6.297 3.613 1.00 0.00 C ATOM 1050 CG GLU A 69 1.533 7.056 4.927 1.00 0.00 C ATOM 1051 CD GLU A 69 2.874 6.904 5.619 1.00 0.00 C ATOM 1052 OE1 GLU A 69 3.788 7.700 5.320 1.00 0.00 O ATOM 1053 OE2 GLU A 69 3.009 5.990 6.458 1.00 0.00 O ATOM 0 H GLU A 69 -0.471 7.579 2.654 1.00 0.00 H new ATOM 0 HA GLU A 69 2.406 7.887 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.524 5.747 3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.266 5.559 3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.342 8.113 4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.744 6.700 5.590 1.00 0.00 H new ATOM 1060 N ILE A 70 0.883 5.493 0.797 1.00 0.00 N ATOM 1061 CA ILE A 70 1.015 4.625 -0.366 1.00 0.00 C ATOM 1062 C ILE A 70 1.383 5.427 -1.611 1.00 0.00 C ATOM 1063 O ILE A 70 2.087 4.936 -2.492 1.00 0.00 O ATOM 1064 CB ILE A 70 -0.285 3.845 -0.638 1.00 0.00 C ATOM 1065 CG1 ILE A 70 -0.659 2.997 0.579 1.00 0.00 C ATOM 1066 CG2 ILE A 70 -0.130 2.971 -1.873 1.00 0.00 C ATOM 1067 CD1 ILE A 70 0.347 1.912 0.892 1.00 0.00 C ATOM 0 H ILE A 70 0.007 5.383 1.308 1.00 0.00 H new ATOM 0 HA ILE A 70 1.813 3.917 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.089 4.558 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.761 3.648 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.633 2.539 0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.057 2.426 -2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.095 3.597 -2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.683 2.262 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.017 1.351 1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.432 1.238 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.318 2.364 1.096 1.00 0.00 H new ATOM 1079 N ASN A 71 0.902 6.664 -1.674 1.00 0.00 N ATOM 1080 CA ASN A 71 1.182 7.535 -2.810 1.00 0.00 C ATOM 1081 C ASN A 71 2.683 7.751 -2.974 1.00 0.00 C ATOM 1082 O ASN A 71 3.197 7.795 -4.092 1.00 0.00 O ATOM 1083 CB ASN A 71 0.478 8.882 -2.632 1.00 0.00 C ATOM 1084 CG ASN A 71 -0.935 8.874 -3.182 1.00 0.00 C ATOM 1085 OD1 ASN A 71 -1.291 8.022 -3.996 1.00 0.00 O ATOM 1086 ND2 ASN A 71 -1.748 9.826 -2.740 1.00 0.00 N ATOM 0 H ASN A 71 0.317 7.086 -0.953 1.00 0.00 H new ATOM 0 HA ASN A 71 0.803 7.050 -3.709 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.451 9.137 -1.573 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.055 9.659 -3.133 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.710 9.871 -3.076 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.410 10.512 -2.065 1.00 0.00 H new ATOM 1093 N LYS A 72 3.382 7.885 -1.852 1.00 0.00 N ATOM 1094 CA LYS A 72 4.825 8.094 -1.869 1.00 0.00 C ATOM 1095 C LYS A 72 5.566 6.766 -1.993 1.00 0.00 C ATOM 1096 O LYS A 72 6.595 6.679 -2.663 1.00 0.00 O ATOM 1097 CB LYS A 72 5.271 8.822 -0.599 1.00 0.00 C ATOM 1098 CG LYS A 72 6.779 8.909 -0.446 1.00 0.00 C ATOM 1099 CD LYS A 72 7.169 9.638 0.829 1.00 0.00 C ATOM 1100 CE LYS A 72 7.666 8.671 1.894 1.00 0.00 C ATOM 1101 NZ LYS A 72 7.432 9.193 3.269 1.00 0.00 N ATOM 0 H LYS A 72 2.972 7.853 -0.919 1.00 0.00 H new ATOM 0 HA LYS A 72 5.067 8.708 -2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.856 9.830 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.855 8.310 0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.203 7.905 -0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.204 9.426 -1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.947 10.369 0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.311 10.191 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.160 7.712 1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.731 8.489 1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.784 8.506 3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.935 10.095 3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.413 9.343 3.415 1.00 0.00 H new ATOM 1115 N ILE A 73 5.035 5.735 -1.345 1.00 0.00 N ATOM 1116 CA ILE A 73 5.645 4.411 -1.386 1.00 0.00 C ATOM 1117 C ILE A 73 5.611 3.834 -2.797 1.00 0.00 C ATOM 1118 O ILE A 73 6.651 3.506 -3.370 1.00 0.00 O ATOM 1119 CB ILE A 73 4.937 3.436 -0.427 1.00 0.00 C ATOM 1120 CG1 ILE A 73 4.981 3.973 1.005 1.00 0.00 C ATOM 1121 CG2 ILE A 73 5.581 2.059 -0.502 1.00 0.00 C ATOM 1122 CD1 ILE A 73 4.173 3.149 1.984 1.00 0.00 C ATOM 0 H ILE A 73 4.184 5.790 -0.785 1.00 0.00 H new ATOM 0 HA ILE A 73 6.681 4.530 -1.070 1.00 0.00 H new ATOM 0 HB ILE A 73 3.894 3.345 -0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.018 4.007 1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.610 4.998 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.070 1.381 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.503 1.676 -1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.632 2.133 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.250 3.588 2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.128 3.135 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.558 2.130 2.006 1.00 0.00 H new ATOM 1134 N LEU A 74 4.410 3.713 -3.352 1.00 0.00 N ATOM 1135 CA LEU A 74 4.241 3.176 -4.698 1.00 0.00 C ATOM 1136 C LEU A 74 5.125 3.918 -5.696 1.00 0.00 C ATOM 1137 O LEU A 74 5.603 3.337 -6.670 1.00 0.00 O ATOM 1138 CB LEU A 74 2.775 3.275 -5.126 1.00 0.00 C ATOM 1139 CG LEU A 74 1.843 2.191 -4.584 1.00 0.00 C ATOM 1140 CD1 LEU A 74 0.415 2.435 -5.046 1.00 0.00 C ATOM 1141 CD2 LEU A 74 2.318 0.812 -5.019 1.00 0.00 C ATOM 0 H LEU A 74 3.540 3.979 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 74 4.541 2.128 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.391 4.246 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.733 3.251 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 74 1.863 2.233 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.234 1.654 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.076 3.406 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.378 2.421 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.643 0.053 -4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.328 0.757 -6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.324 0.637 -4.637 1.00 0.00 H new ATOM 1153 N LYS A 75 5.339 5.205 -5.445 1.00 0.00 N ATOM 1154 CA LYS A 75 6.169 6.028 -6.318 1.00 0.00 C ATOM 1155 C LYS A 75 7.649 5.833 -6.004 1.00 0.00 C ATOM 1156 O LYS A 75 8.502 5.978 -6.878 1.00 0.00 O ATOM 1157 CB LYS A 75 5.795 7.504 -6.169 1.00 0.00 C ATOM 1158 CG LYS A 75 5.745 8.255 -7.488 1.00 0.00 C ATOM 1159 CD LYS A 75 4.435 9.009 -7.651 1.00 0.00 C ATOM 1160 CE LYS A 75 4.626 10.293 -8.443 1.00 0.00 C ATOM 1161 NZ LYS A 75 3.328 10.861 -8.901 1.00 0.00 N ATOM 0 H LYS A 75 4.949 5.701 -4.644 1.00 0.00 H new ATOM 0 HA LYS A 75 5.990 5.717 -7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.822 7.576 -5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.517 7.989 -5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.578 8.956 -7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.867 7.553 -8.313 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.708 8.373 -8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.024 9.244 -6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.146 11.026 -7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.261 10.096 -9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.501 11.735 -9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.843 10.172 -9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.732 11.073 -8.076 1.00 0.00 H new ATOM 1175 N ASN A 76 7.945 5.502 -4.751 1.00 0.00 N ATOM 1176 CA ASN A 76 9.322 5.287 -4.323 1.00 0.00 C ATOM 1177 C ASN A 76 9.933 4.086 -5.040 1.00 0.00 C ATOM 1178 O ASN A 76 10.927 4.217 -5.755 1.00 0.00 O ATOM 1179 CB ASN A 76 9.380 5.074 -2.809 1.00 0.00 C ATOM 1180 CG ASN A 76 10.409 5.964 -2.139 1.00 0.00 C ATOM 1181 OD1 ASN A 76 11.600 5.892 -2.443 1.00 0.00 O ATOM 1182 ND2 ASN A 76 9.953 6.809 -1.222 1.00 0.00 N ATOM 0 H ASN A 76 7.250 5.377 -4.015 1.00 0.00 H new ATOM 0 HA ASN A 76 9.899 6.175 -4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.398 5.271 -2.379 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.615 4.030 -2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.598 7.433 -0.738 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.957 6.834 -1.002 1.00 0.00 H new ATOM 1189 N LEU A 77 9.332 2.918 -4.844 1.00 0.00 N ATOM 1190 CA LEU A 77 9.816 1.694 -5.472 1.00 0.00 C ATOM 1191 C LEU A 77 9.981 1.882 -6.976 1.00 0.00 C ATOM 1192 O LEU A 77 10.946 1.401 -7.569 1.00 0.00 O ATOM 1193 CB LEU A 77 8.852 0.539 -5.194 1.00 0.00 C ATOM 1194 CG LEU A 77 9.059 -0.205 -3.874 1.00 0.00 C ATOM 1195 CD1 LEU A 77 7.911 -1.170 -3.619 1.00 0.00 C ATOM 1196 CD2 LEU A 77 10.388 -0.945 -3.882 1.00 0.00 C ATOM 0 H LEU A 77 8.509 2.793 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 77 10.790 1.457 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.834 0.929 -5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.933 -0.180 -6.010 1.00 0.00 H new ATOM 0 HG LEU A 77 9.078 0.526 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.076 -1.690 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.974 -0.616 -3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.860 -1.897 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.519 -1.469 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.398 -1.666 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.201 -0.232 -4.017 1.00 0.00 H new ATOM 1208 N GLU A 78 9.033 2.586 -7.587 1.00 0.00 N ATOM 1209 CA GLU A 78 9.076 2.839 -9.023 1.00 0.00 C ATOM 1210 C GLU A 78 10.403 3.477 -9.424 1.00 0.00 C ATOM 1211 O GLU A 78 11.124 2.952 -10.272 1.00 0.00 O ATOM 1212 CB GLU A 78 7.915 3.746 -9.438 1.00 0.00 C ATOM 1213 CG GLU A 78 7.486 3.562 -10.884 1.00 0.00 C ATOM 1214 CD GLU A 78 7.698 4.809 -11.719 1.00 0.00 C ATOM 1215 OE1 GLU A 78 7.396 5.914 -11.221 1.00 0.00 O ATOM 1216 OE2 GLU A 78 8.166 4.681 -12.870 1.00 0.00 O ATOM 0 H GLU A 78 8.227 2.991 -7.111 1.00 0.00 H new ATOM 0 HA GLU A 78 8.983 1.883 -9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.062 3.551 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.204 4.786 -9.283 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.046 2.736 -11.323 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.432 3.284 -10.914 1.00 0.00 H new ATOM 1223 N SER A 79 10.717 4.612 -8.808 1.00 0.00 N ATOM 1224 CA SER A 79 11.955 5.325 -9.103 1.00 0.00 C ATOM 1225 C SER A 79 13.166 4.424 -8.884 1.00 0.00 C ATOM 1226 O SER A 79 14.149 4.493 -9.622 1.00 0.00 O ATOM 1227 CB SER A 79 12.069 6.575 -8.229 1.00 0.00 C ATOM 1228 OG SER A 79 12.314 7.727 -9.017 1.00 0.00 O ATOM 0 H SER A 79 10.132 5.058 -8.102 1.00 0.00 H new ATOM 0 HA SER A 79 11.932 5.625 -10.151 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.150 6.709 -7.659 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.876 6.446 -7.507 1.00 0.00 H new ATOM 0 HG SER A 79 12.381 8.513 -8.435 1.00 0.00 H new ATOM 1234 N LYS A 80 13.088 3.577 -7.862 1.00 0.00 N ATOM 1235 CA LYS A 80 14.176 2.660 -7.543 1.00 0.00 C ATOM 1236 C LYS A 80 14.328 1.599 -8.628 1.00 0.00 C ATOM 1237 O LYS A 80 15.326 0.879 -8.671 1.00 0.00 O ATOM 1238 CB LYS A 80 13.926 1.990 -6.190 1.00 0.00 C ATOM 1239 CG LYS A 80 13.513 2.961 -5.098 1.00 0.00 C ATOM 1240 CD LYS A 80 14.364 2.792 -3.850 1.00 0.00 C ATOM 1241 CE LYS A 80 13.535 2.949 -2.585 1.00 0.00 C ATOM 1242 NZ LYS A 80 13.936 4.153 -1.805 1.00 0.00 N ATOM 0 H LYS A 80 12.282 3.507 -7.241 1.00 0.00 H new ATOM 0 HA LYS A 80 15.100 3.236 -7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.149 1.235 -6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.832 1.470 -5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.604 3.983 -5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.464 2.804 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.833 1.808 -3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.167 3.529 -3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.480 3.022 -2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.648 2.060 -1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.059 3.894 -0.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.832 4.526 -2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.198 4.881 -1.886 1.00 0.00 H new ATOM 1256 N LYS A 81 13.334 1.508 -9.504 1.00 0.00 N ATOM 1257 CA LYS A 81 13.357 0.536 -10.591 1.00 0.00 C ATOM 1258 C LYS A 81 13.348 -0.889 -10.047 1.00 0.00 C ATOM 1259 O LYS A 81 13.952 -1.790 -10.629 1.00 0.00 O ATOM 1260 CB LYS A 81 14.594 0.751 -11.467 1.00 0.00 C ATOM 1261 CG LYS A 81 14.321 0.592 -12.953 1.00 0.00 C ATOM 1262 CD LYS A 81 15.490 1.084 -13.790 1.00 0.00 C ATOM 1263 CE LYS A 81 15.246 0.858 -15.274 1.00 0.00 C ATOM 1264 NZ LYS A 81 15.040 2.140 -16.004 1.00 0.00 N ATOM 0 H LYS A 81 12.501 2.096 -9.483 1.00 0.00 H new ATOM 0 HA LYS A 81 12.461 0.681 -11.195 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.990 1.750 -11.284 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.367 0.042 -11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.127 -0.457 -13.178 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.422 1.147 -13.220 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.651 2.146 -13.604 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.400 0.566 -13.487 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.095 0.327 -15.705 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.372 0.221 -15.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.877 1.943 -17.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.215 2.635 -15.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.884 2.738 -15.900 1.00 0.00 H new ATOM 1278 N LEU A 82 12.656 -1.086 -8.930 1.00 0.00 N ATOM 1279 CA LEU A 82 12.566 -2.403 -8.309 1.00 0.00 C ATOM 1280 C LEU A 82 11.252 -3.087 -8.671 1.00 0.00 C ATOM 1281 O LEU A 82 11.160 -4.315 -8.673 1.00 0.00 O ATOM 1282 CB LEU A 82 12.690 -2.281 -6.789 1.00 0.00 C ATOM 1283 CG LEU A 82 14.098 -2.034 -6.248 1.00 0.00 C ATOM 1284 CD1 LEU A 82 14.074 -1.915 -4.732 1.00 0.00 C ATOM 1285 CD2 LEU A 82 15.040 -3.148 -6.682 1.00 0.00 C ATOM 0 H LEU A 82 12.149 -0.351 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 82 13.387 -3.013 -8.686 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.047 -1.466 -6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.305 -3.196 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 82 14.465 -1.094 -6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.085 -1.739 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.433 -1.082 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.687 -2.838 -4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.038 -2.955 -6.288 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.677 -4.102 -6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.081 -3.186 -7.771 1.00 0.00 H new ATOM 1297 N ILE A 83 10.238 -2.285 -8.977 1.00 0.00 N ATOM 1298 CA ILE A 83 8.930 -2.813 -9.344 1.00 0.00 C ATOM 1299 C ILE A 83 8.492 -2.297 -10.710 1.00 0.00 C ATOM 1300 O ILE A 83 9.153 -1.446 -11.306 1.00 0.00 O ATOM 1301 CB ILE A 83 7.860 -2.442 -8.300 1.00 0.00 C ATOM 1302 CG1 ILE A 83 7.682 -0.924 -8.238 1.00 0.00 C ATOM 1303 CG2 ILE A 83 8.240 -2.993 -6.933 1.00 0.00 C ATOM 1304 CD1 ILE A 83 6.624 -0.479 -7.253 1.00 0.00 C ATOM 0 H ILE A 83 10.297 -1.267 -8.978 1.00 0.00 H new ATOM 0 HA ILE A 83 9.027 -3.898 -9.383 1.00 0.00 H new ATOM 0 HB ILE A 83 6.911 -2.888 -8.599 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.633 -0.466 -7.968 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.421 -0.556 -9.230 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.474 -2.723 -6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.321 -4.079 -6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.197 -2.573 -6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.553 0.609 -7.262 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.662 -0.908 -7.533 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.894 -0.816 -6.252 1.00 0.00 H new ATOM 1316 N LYS A 84 7.372 -2.817 -11.201 1.00 0.00 N ATOM 1317 CA LYS A 84 6.842 -2.407 -12.497 1.00 0.00 C ATOM 1318 C LYS A 84 5.335 -2.183 -12.421 1.00 0.00 C ATOM 1319 O LYS A 84 4.579 -3.092 -12.081 1.00 0.00 O ATOM 1320 CB LYS A 84 7.159 -3.464 -13.557 1.00 0.00 C ATOM 1321 CG LYS A 84 6.587 -4.834 -13.241 1.00 0.00 C ATOM 1322 CD LYS A 84 7.227 -5.917 -14.093 1.00 0.00 C ATOM 1323 CE LYS A 84 6.253 -6.463 -15.125 1.00 0.00 C ATOM 1324 NZ LYS A 84 6.236 -5.637 -16.364 1.00 0.00 N ATOM 0 H LYS A 84 6.814 -3.523 -10.721 1.00 0.00 H new ATOM 0 HA LYS A 84 7.318 -1.467 -12.777 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.769 -3.130 -14.519 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.241 -3.547 -13.663 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.744 -5.060 -12.186 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.510 -4.827 -13.409 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.105 -5.513 -14.598 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.573 -6.728 -13.453 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.526 -7.488 -15.376 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.251 -6.496 -14.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.560 -6.042 -17.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.950 -4.665 -16.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.186 -5.626 -16.787 1.00 0.00 H new ATOM 1338 N ALA A 85 4.906 -0.967 -12.742 1.00 0.00 N ATOM 1339 CA ALA A 85 3.489 -0.625 -12.714 1.00 0.00 C ATOM 1340 C ALA A 85 2.774 -1.148 -13.955 1.00 0.00 C ATOM 1341 O ALA A 85 3.320 -1.118 -15.058 1.00 0.00 O ATOM 1342 CB ALA A 85 3.312 0.882 -12.596 1.00 0.00 C ATOM 0 H ALA A 85 5.519 -0.202 -13.024 1.00 0.00 H new ATOM 0 HA ALA A 85 3.042 -1.102 -11.841 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.249 1.123 -12.576 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.781 1.233 -11.676 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.779 1.371 -13.451 1.00 0.00 H new ATOM 1348 N VAL A 86 1.548 -1.627 -13.768 1.00 0.00 N ATOM 1349 CA VAL A 86 0.757 -2.156 -14.873 1.00 0.00 C ATOM 1350 C VAL A 86 -0.643 -1.555 -14.884 1.00 0.00 C ATOM 1351 O VAL A 86 -1.425 -1.756 -13.954 1.00 0.00 O ATOM 1352 CB VAL A 86 0.645 -3.691 -14.798 1.00 0.00 C ATOM 1353 CG1 VAL A 86 1.950 -4.344 -15.227 1.00 0.00 C ATOM 1354 CG2 VAL A 86 0.257 -4.128 -13.393 1.00 0.00 C ATOM 0 H VAL A 86 1.081 -1.660 -12.862 1.00 0.00 H new ATOM 0 HA VAL A 86 1.274 -1.881 -15.793 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.137 -4.015 -15.484 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.851 -5.428 -15.167 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.181 -4.057 -16.253 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.755 -4.016 -14.569 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.182 -5.215 -13.358 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.015 -3.793 -12.685 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.705 -3.689 -13.128 1.00 0.00 H new ATOM 1364 N LYS A 87 -0.955 -0.815 -15.943 1.00 0.00 N ATOM 1365 CA LYS A 87 -2.263 -0.185 -16.077 1.00 0.00 C ATOM 1366 C LYS A 87 -3.154 -0.977 -17.029 1.00 0.00 C ATOM 1367 O LYS A 87 -2.731 -1.352 -18.123 1.00 0.00 O ATOM 1368 CB LYS A 87 -2.110 1.252 -16.583 1.00 0.00 C ATOM 1369 CG LYS A 87 -1.310 1.362 -17.869 1.00 0.00 C ATOM 1370 CD LYS A 87 -2.143 1.951 -18.995 1.00 0.00 C ATOM 1371 CE LYS A 87 -1.266 2.525 -20.096 1.00 0.00 C ATOM 1372 NZ LYS A 87 -0.382 1.489 -20.698 1.00 0.00 N ATOM 0 H LYS A 87 -0.320 -0.637 -16.721 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.734 -0.170 -15.094 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.100 1.679 -16.743 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.626 1.850 -15.811 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.432 1.985 -17.700 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.949 0.375 -18.160 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.792 1.180 -19.410 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.790 2.733 -18.599 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.896 2.960 -20.872 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.656 3.332 -19.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.113 1.890 -21.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.316 1.176 -19.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.956 0.677 -21.001 1.00 0.00 H new ATOM 1386 N SER A 88 -4.389 -1.227 -16.607 1.00 0.00 N ATOM 1387 CA SER A 88 -5.339 -1.977 -17.421 1.00 0.00 C ATOM 1388 C SER A 88 -5.993 -1.074 -18.462 1.00 0.00 C ATOM 1389 O SER A 88 -6.322 0.079 -18.182 1.00 0.00 O ATOM 1390 CB SER A 88 -6.411 -2.613 -16.535 1.00 0.00 C ATOM 1391 OG SER A 88 -6.186 -4.003 -16.380 1.00 0.00 O ATOM 0 H SER A 88 -4.756 -0.921 -15.706 1.00 0.00 H new ATOM 0 HA SER A 88 -4.793 -2.765 -17.940 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.413 -2.131 -15.558 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.395 -2.447 -16.974 1.00 0.00 H new ATOM 0 HG SER A 88 -6.884 -4.386 -15.808 1.00 0.00 H new ATOM 1397 N VAL A 89 -6.178 -1.607 -19.666 1.00 0.00 N ATOM 1398 CA VAL A 89 -6.794 -0.851 -20.750 1.00 0.00 C ATOM 1399 C VAL A 89 -8.241 -1.279 -20.965 1.00 0.00 C ATOM 1400 O VAL A 89 -8.565 -2.465 -20.902 1.00 0.00 O ATOM 1401 CB VAL A 89 -6.017 -1.026 -22.068 1.00 0.00 C ATOM 1402 CG1 VAL A 89 -6.100 -2.467 -22.550 1.00 0.00 C ATOM 1403 CG2 VAL A 89 -6.543 -0.070 -23.128 1.00 0.00 C ATOM 0 H VAL A 89 -5.910 -2.559 -19.915 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.768 0.199 -20.458 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.969 -0.789 -21.885 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.545 -2.571 -23.482 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.671 -3.128 -21.797 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.143 -2.735 -22.717 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.982 -0.208 -24.053 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.598 -0.273 -23.310 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.426 0.957 -22.782 1.00 0.00 H new ATOM 1413 N SER A 90 -9.109 -0.304 -21.220 1.00 0.00 N ATOM 1414 CA SER A 90 -10.523 -0.579 -21.442 1.00 0.00 C ATOM 1415 C SER A 90 -11.220 0.627 -22.065 1.00 0.00 C ATOM 1416 O SER A 90 -11.409 1.653 -21.414 1.00 0.00 O ATOM 1417 CB SER A 90 -11.205 -0.952 -20.124 1.00 0.00 C ATOM 1418 OG SER A 90 -10.442 -0.513 -19.014 1.00 0.00 O ATOM 0 H SER A 90 -8.857 0.683 -21.278 1.00 0.00 H new ATOM 0 HA SER A 90 -10.600 -1.418 -22.133 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.199 -0.506 -20.086 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.339 -2.033 -20.073 1.00 0.00 H new ATOM 0 HG SER A 90 -10.899 -0.762 -18.184 1.00 0.00 H new ATOM 1424 N GLY A 91 -11.600 0.494 -23.332 1.00 0.00 N ATOM 1425 CA GLY A 91 -12.272 1.579 -24.023 1.00 0.00 C ATOM 1426 C GLY A 91 -12.667 1.208 -25.439 1.00 0.00 C ATOM 1427 O GLY A 91 -12.142 1.747 -26.414 1.00 0.00 O ATOM 0 H GLY A 91 -11.454 -0.346 -23.892 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.163 1.865 -23.464 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.618 2.450 -24.048 1.00 0.00 H new ATOM 1431 N PRO A 92 -13.613 0.266 -25.566 1.00 0.00 N ATOM 1432 CA PRO A 92 -14.098 -0.198 -26.869 1.00 0.00 C ATOM 1433 C PRO A 92 -14.919 0.863 -27.593 1.00 0.00 C ATOM 1434 O PRO A 92 -15.247 1.904 -27.023 1.00 0.00 O ATOM 1435 CB PRO A 92 -14.974 -1.402 -26.514 1.00 0.00 C ATOM 1436 CG PRO A 92 -15.415 -1.148 -25.113 1.00 0.00 C ATOM 1437 CD PRO A 92 -14.282 -0.419 -24.447 1.00 0.00 C ATOM 0 HA PRO A 92 -13.279 -0.435 -27.548 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.826 -1.485 -27.189 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.415 -2.335 -26.591 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.327 -0.552 -25.093 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -15.634 -2.083 -24.597 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -14.643 0.289 -23.701 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -13.608 -1.106 -23.935 1.00 0.00 H new ATOM 1445 N SER A 93 -15.250 0.593 -28.852 1.00 0.00 N ATOM 1446 CA SER A 93 -16.031 1.526 -29.655 1.00 0.00 C ATOM 1447 C SER A 93 -16.831 0.787 -30.723 1.00 0.00 C ATOM 1448 O SER A 93 -16.298 -0.064 -31.435 1.00 0.00 O ATOM 1449 CB SER A 93 -15.113 2.559 -30.312 1.00 0.00 C ATOM 1450 OG SER A 93 -14.001 1.933 -30.928 1.00 0.00 O ATOM 0 H SER A 93 -14.989 -0.265 -29.338 1.00 0.00 H new ATOM 0 HA SER A 93 -16.729 2.039 -28.994 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.672 3.127 -31.055 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.765 3.270 -29.563 1.00 0.00 H new ATOM 0 HG SER A 93 -13.430 2.614 -31.342 1.00 0.00 H new ATOM 1456 N SER A 94 -18.114 1.118 -30.828 1.00 0.00 N ATOM 1457 CA SER A 94 -18.989 0.484 -31.807 1.00 0.00 C ATOM 1458 C SER A 94 -19.613 1.524 -32.733 1.00 0.00 C ATOM 1459 O SER A 94 -19.387 2.723 -32.579 1.00 0.00 O ATOM 1460 CB SER A 94 -20.089 -0.310 -31.099 1.00 0.00 C ATOM 1461 OG SER A 94 -19.692 -1.655 -30.889 1.00 0.00 O ATOM 0 H SER A 94 -18.570 1.821 -30.247 1.00 0.00 H new ATOM 0 HA SER A 94 -18.387 -0.197 -32.408 1.00 0.00 H new ATOM 0 HB2 SER A 94 -20.321 0.158 -30.142 1.00 0.00 H new ATOM 0 HB3 SER A 94 -21.001 -0.285 -31.695 1.00 0.00 H new ATOM 0 HG SER A 94 -20.411 -2.141 -30.434 1.00 0.00 H new ATOM 1467 N GLY A 95 -20.401 1.053 -33.695 1.00 0.00 N ATOM 1468 CA GLY A 95 -21.046 1.955 -34.632 1.00 0.00 C ATOM 1469 C GLY A 95 -22.395 1.442 -35.095 1.00 0.00 C ATOM 1470 O GLY A 95 -23.076 0.721 -34.365 1.00 0.00 O ATOM 0 H GLY A 95 -20.604 0.064 -33.842 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -21.173 2.931 -34.163 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.399 2.099 -35.497 1.00 0.00 H new TER 1474 GLY A 95