USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 896 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= -0.0105 (180deg=-0.297) USER MOD Single : A 4 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.04) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0.0268 X(o=0.027,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0292 X(o=-0.029,f=-0.25) USER MOD Single : A 28 GLN : amide:sc= -0.043 K(o=-0.043,f=-1.5) USER MOD Single : A 29 MET CE :methyl 179:sc= 0 (180deg=-0.00106) USER MOD Single : A 33 SER OG : rot 44:sc= 0.14 USER MOD Single : A 39 CYS SG : rot 82:sc= -6.26! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -147:sc= 0.229 (180deg=0.00647) USER MOD Single : A 55 ASN : amide:sc= -0.287 K(o=-0.29,f=-1.6) USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= -0.0606 (180deg=-0.64) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.321 K(o=-0.32,f=-2.6!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 160:sc= -6! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.0018) USER MOD Single : A 93 LYS NZ :NH3+ -107:sc= -1.12 (180deg=-2.87!) USER MOD Single : A 95 LYS NZ :NH3+ 165:sc= -0.392 (180deg=-0.484) USER MOD Single : A 97 TYR OH : rot -5:sc= -1.44 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.620 -9.171 -29.726 1.00 1.00 N ATOM 2 CA MET A 1 -23.724 -7.685 -29.602 1.00 1.00 C ATOM 3 C MET A 1 -23.192 -7.241 -28.227 1.00 1.00 C ATOM 4 O MET A 1 -23.883 -6.596 -27.456 1.00 1.00 O ATOM 5 CB MET A 1 -25.192 -7.251 -29.773 1.00 1.00 C ATOM 6 CG MET A 1 -26.099 -8.084 -28.861 1.00 1.00 C ATOM 7 SD MET A 1 -27.709 -7.272 -28.707 1.00 1.00 S ATOM 8 CE MET A 1 -27.341 -6.314 -27.217 1.00 1.00 C ATOM 0 H1 MET A 1 -24.213 -9.496 -30.516 1.00 1.00 H new ATOM 0 H2 MET A 1 -22.630 -9.436 -29.904 1.00 1.00 H new ATOM 0 H3 MET A 1 -23.944 -9.617 -28.844 1.00 1.00 H new ATOM 0 HA MET A 1 -23.125 -7.213 -30.381 1.00 1.00 H new ATOM 0 HB2 MET A 1 -25.296 -6.193 -29.534 1.00 1.00 H new ATOM 0 HB3 MET A 1 -25.497 -7.374 -30.812 1.00 1.00 H new ATOM 0 HG2 MET A 1 -26.223 -9.086 -29.271 1.00 1.00 H new ATOM 0 HG3 MET A 1 -25.641 -8.196 -27.878 1.00 1.00 H new ATOM 0 HE1 MET A 1 -28.215 -5.726 -26.937 1.00 1.00 H new ATOM 0 HE2 MET A 1 -27.084 -6.992 -26.403 1.00 1.00 H new ATOM 0 HE3 MET A 1 -26.502 -5.646 -27.412 1.00 1.00 H new ATOM 20 N ALA A 2 -21.961 -7.584 -27.921 1.00 1.00 N ATOM 21 CA ALA A 2 -21.365 -7.192 -26.606 1.00 1.00 C ATOM 22 C ALA A 2 -20.135 -6.295 -26.837 1.00 1.00 C ATOM 23 O ALA A 2 -19.162 -6.358 -26.103 1.00 1.00 O ATOM 24 CB ALA A 2 -20.956 -8.456 -25.842 1.00 1.00 C ATOM 0 H ALA A 2 -21.343 -8.121 -28.530 1.00 1.00 H new ATOM 0 HA ALA A 2 -22.099 -6.637 -26.022 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -20.521 -8.176 -24.883 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -21.834 -9.080 -25.674 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -20.222 -9.012 -26.425 1.00 1.00 H new ATOM 30 N GLU A 3 -20.176 -5.458 -27.849 1.00 1.00 N ATOM 31 CA GLU A 3 -19.022 -4.551 -28.134 1.00 1.00 C ATOM 32 C GLU A 3 -19.474 -3.093 -27.981 1.00 1.00 C ATOM 33 O GLU A 3 -20.249 -2.588 -28.773 1.00 1.00 O ATOM 34 CB GLU A 3 -18.523 -4.793 -29.564 1.00 1.00 C ATOM 35 CG GLU A 3 -17.003 -4.601 -29.616 1.00 1.00 C ATOM 36 CD GLU A 3 -16.571 -4.299 -31.055 1.00 1.00 C ATOM 37 OE1 GLU A 3 -16.543 -3.132 -31.413 1.00 1.00 O ATOM 38 OE2 GLU A 3 -16.271 -5.239 -31.774 1.00 1.00 O ATOM 0 H GLU A 3 -20.963 -5.366 -28.491 1.00 1.00 H new ATOM 0 HA GLU A 3 -18.213 -4.754 -27.433 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -18.784 -5.801 -29.885 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -19.011 -4.103 -30.252 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -16.707 -3.784 -28.958 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -16.501 -5.499 -29.256 1.00 1.00 H new ATOM 45 N GLN A 4 -18.996 -2.420 -26.959 1.00 1.00 N ATOM 46 CA GLN A 4 -19.394 -0.994 -26.735 1.00 1.00 C ATOM 47 C GLN A 4 -18.480 -0.346 -25.684 1.00 1.00 C ATOM 48 O GLN A 4 -18.068 0.790 -25.834 1.00 1.00 O ATOM 49 CB GLN A 4 -20.846 -0.938 -26.248 1.00 1.00 C ATOM 50 CG GLN A 4 -21.526 0.320 -26.797 1.00 1.00 C ATOM 51 CD GLN A 4 -21.923 0.095 -28.259 1.00 1.00 C ATOM 52 OE1 GLN A 4 -22.952 -0.486 -28.540 1.00 1.00 O ATOM 53 NE2 GLN A 4 -21.142 0.534 -29.212 1.00 1.00 N ATOM 0 H GLN A 4 -18.346 -2.799 -26.270 1.00 1.00 H new ATOM 0 HA GLN A 4 -19.298 -0.450 -27.674 1.00 1.00 H new ATOM 0 HB2 GLN A 4 -21.384 -1.827 -26.576 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -20.874 -0.932 -25.158 1.00 1.00 H new ATOM 0 HG2 GLN A 4 -22.408 0.557 -26.203 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -20.852 1.173 -26.720 1.00 1.00 H new ATOM 0 HE21 GLN A 4 -20.277 1.022 -28.979 1.00 1.00 H new ATOM 0 HE22 GLN A 4 -21.398 0.388 -30.189 1.00 1.00 H new ATOM 62 N GLN A 5 -18.172 -1.059 -24.619 1.00 1.00 N ATOM 63 CA GLN A 5 -17.294 -0.494 -23.545 1.00 1.00 C ATOM 64 C GLN A 5 -15.964 -0.021 -24.148 1.00 1.00 C ATOM 65 O GLN A 5 -15.204 -0.801 -24.695 1.00 1.00 O ATOM 66 CB GLN A 5 -17.019 -1.571 -22.488 1.00 1.00 C ATOM 67 CG GLN A 5 -18.132 -1.554 -21.435 1.00 1.00 C ATOM 68 CD GLN A 5 -19.152 -2.654 -21.746 1.00 1.00 C ATOM 69 OE1 GLN A 5 -19.007 -3.775 -21.300 1.00 1.00 O ATOM 70 NE2 GLN A 5 -20.185 -2.379 -22.496 1.00 1.00 N ATOM 0 H GLN A 5 -18.495 -2.012 -24.451 1.00 1.00 H new ATOM 0 HA GLN A 5 -17.799 0.354 -23.082 1.00 1.00 H new ATOM 0 HB2 GLN A 5 -16.966 -2.552 -22.959 1.00 1.00 H new ATOM 0 HB3 GLN A 5 -16.054 -1.392 -22.014 1.00 1.00 H new ATOM 0 HG2 GLN A 5 -17.709 -1.707 -20.442 1.00 1.00 H new ATOM 0 HG3 GLN A 5 -18.623 -0.581 -21.426 1.00 1.00 H new ATOM 0 HE21 GLN A 5 -20.307 -1.438 -22.871 1.00 1.00 H new ATOM 0 HE22 GLN A 5 -20.870 -3.105 -22.707 1.00 1.00 H new ATOM 79 N GLN A 6 -15.687 1.259 -24.049 1.00 1.00 N ATOM 80 CA GLN A 6 -14.414 1.811 -24.607 1.00 1.00 C ATOM 81 C GLN A 6 -13.782 2.775 -23.588 1.00 1.00 C ATOM 82 O GLN A 6 -13.158 3.758 -23.951 1.00 1.00 O ATOM 83 CB GLN A 6 -14.722 2.556 -25.913 1.00 1.00 C ATOM 84 CG GLN A 6 -13.492 2.528 -26.826 1.00 1.00 C ATOM 85 CD GLN A 6 -13.206 3.940 -27.346 1.00 1.00 C ATOM 86 OE1 GLN A 6 -13.728 4.340 -28.368 1.00 1.00 O ATOM 87 NE2 GLN A 6 -12.393 4.717 -26.682 1.00 1.00 N ATOM 0 H GLN A 6 -16.293 1.947 -23.603 1.00 1.00 H new ATOM 0 HA GLN A 6 -13.714 1.000 -24.808 1.00 1.00 H new ATOM 0 HB2 GLN A 6 -15.571 2.092 -26.416 1.00 1.00 H new ATOM 0 HB3 GLN A 6 -15.003 3.587 -25.697 1.00 1.00 H new ATOM 0 HG2 GLN A 6 -12.629 2.149 -26.279 1.00 1.00 H new ATOM 0 HG3 GLN A 6 -13.662 1.849 -27.662 1.00 1.00 H new ATOM 0 HE21 GLN A 6 -11.954 4.382 -25.824 1.00 1.00 H new ATOM 0 HE22 GLN A 6 -12.197 5.659 -27.021 1.00 1.00 H new ATOM 96 N GLU A 7 -13.942 2.498 -22.313 1.00 1.00 N ATOM 97 CA GLU A 7 -13.360 3.388 -21.262 1.00 1.00 C ATOM 98 C GLU A 7 -12.476 2.559 -20.324 1.00 1.00 C ATOM 99 O GLU A 7 -12.958 1.723 -19.578 1.00 1.00 O ATOM 100 CB GLU A 7 -14.491 4.041 -20.460 1.00 1.00 C ATOM 101 CG GLU A 7 -15.181 5.112 -21.315 1.00 1.00 C ATOM 102 CD GLU A 7 -16.461 4.538 -21.935 1.00 1.00 C ATOM 103 OE1 GLU A 7 -17.445 4.422 -21.221 1.00 1.00 O ATOM 104 OE2 GLU A 7 -16.439 4.228 -23.115 1.00 1.00 O ATOM 0 H GLU A 7 -14.453 1.690 -21.957 1.00 1.00 H new ATOM 0 HA GLU A 7 -12.758 4.164 -21.735 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -15.214 3.286 -20.153 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -14.092 4.490 -19.550 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -15.421 5.981 -20.702 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -14.507 5.453 -22.101 1.00 1.00 H new ATOM 111 N GLN A 8 -11.183 2.785 -20.359 1.00 1.00 N ATOM 112 CA GLN A 8 -10.253 2.019 -19.475 1.00 1.00 C ATOM 113 C GLN A 8 -9.593 2.976 -18.478 1.00 1.00 C ATOM 114 O GLN A 8 -8.860 3.874 -18.856 1.00 1.00 O ATOM 115 CB GLN A 8 -9.177 1.337 -20.330 1.00 1.00 C ATOM 116 CG GLN A 8 -9.518 -0.147 -20.495 1.00 1.00 C ATOM 117 CD GLN A 8 -8.784 -0.966 -19.428 1.00 1.00 C ATOM 118 OE1 GLN A 8 -7.834 -1.661 -19.727 1.00 1.00 O ATOM 119 NE2 GLN A 8 -9.188 -0.914 -18.186 1.00 1.00 N ATOM 0 H GLN A 8 -10.733 3.471 -20.965 1.00 1.00 H new ATOM 0 HA GLN A 8 -10.812 1.259 -18.929 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -9.115 1.817 -21.307 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -8.200 1.446 -19.859 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -10.594 -0.295 -20.405 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -9.232 -0.488 -21.490 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -9.986 -0.331 -17.933 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -8.706 -1.457 -17.470 1.00 1.00 H new ATOM 128 N GLN A 9 -9.851 2.788 -17.206 1.00 1.00 N ATOM 129 CA GLN A 9 -9.248 3.679 -16.166 1.00 1.00 C ATOM 130 C GLN A 9 -7.967 3.043 -15.611 1.00 1.00 C ATOM 131 O GLN A 9 -7.686 1.879 -15.846 1.00 1.00 O ATOM 132 CB GLN A 9 -10.252 3.881 -15.025 1.00 1.00 C ATOM 133 CG GLN A 9 -10.565 5.373 -14.875 1.00 1.00 C ATOM 134 CD GLN A 9 -11.889 5.545 -14.126 1.00 1.00 C ATOM 135 OE1 GLN A 9 -12.926 5.721 -14.734 1.00 1.00 O ATOM 136 NE2 GLN A 9 -11.899 5.504 -12.821 1.00 1.00 N ATOM 0 H GLN A 9 -10.456 2.052 -16.842 1.00 1.00 H new ATOM 0 HA GLN A 9 -9.004 4.641 -16.616 1.00 1.00 H new ATOM 0 HB2 GLN A 9 -11.167 3.326 -15.230 1.00 1.00 H new ATOM 0 HB3 GLN A 9 -9.843 3.489 -14.094 1.00 1.00 H new ATOM 0 HG2 GLN A 9 -9.761 5.871 -14.333 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -10.627 5.843 -15.857 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -11.029 5.356 -12.309 1.00 1.00 H new ATOM 0 HE22 GLN A 9 -12.776 5.620 -12.314 1.00 1.00 H new ATOM 145 N ILE A 10 -7.193 3.801 -14.870 1.00 1.00 N ATOM 146 CA ILE A 10 -5.929 3.255 -14.286 1.00 1.00 C ATOM 147 C ILE A 10 -6.251 2.543 -12.958 1.00 1.00 C ATOM 148 O ILE A 10 -5.950 3.027 -11.880 1.00 1.00 O ATOM 149 CB ILE A 10 -4.921 4.403 -14.071 1.00 1.00 C ATOM 150 CG1 ILE A 10 -3.607 3.840 -13.512 1.00 1.00 C ATOM 151 CG2 ILE A 10 -5.490 5.440 -13.095 1.00 1.00 C ATOM 152 CD1 ILE A 10 -2.578 3.722 -14.639 1.00 1.00 C ATOM 0 H ILE A 10 -7.384 4.777 -14.645 1.00 1.00 H new ATOM 0 HA ILE A 10 -5.481 2.532 -14.968 1.00 1.00 H new ATOM 0 HB ILE A 10 -4.734 4.887 -15.030 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -3.226 4.491 -12.725 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -3.781 2.863 -13.061 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -4.766 6.243 -12.954 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -6.415 5.852 -13.500 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -5.694 4.964 -12.136 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -1.646 3.322 -14.240 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -2.959 3.053 -15.411 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -2.396 4.707 -15.070 1.00 1.00 H new ATOM 164 N ARG A 11 -6.871 1.388 -13.040 1.00 1.00 N ATOM 165 CA ARG A 11 -7.229 0.625 -11.802 1.00 1.00 C ATOM 166 C ARG A 11 -5.983 -0.070 -11.240 1.00 1.00 C ATOM 167 O ARG A 11 -5.118 -0.500 -11.984 1.00 1.00 O ATOM 168 CB ARG A 11 -8.308 -0.421 -12.125 1.00 1.00 C ATOM 169 CG ARG A 11 -7.831 -1.349 -13.251 1.00 1.00 C ATOM 170 CD ARG A 11 -8.628 -1.066 -14.528 1.00 1.00 C ATOM 171 NE ARG A 11 -10.001 -1.635 -14.399 1.00 1.00 N ATOM 172 CZ ARG A 11 -11.033 -0.958 -14.831 1.00 1.00 C ATOM 173 NH1 ARG A 11 -11.544 -0.005 -14.095 1.00 1.00 N ATOM 174 NH2 ARG A 11 -11.553 -1.234 -15.998 1.00 1.00 N ATOM 0 H ARG A 11 -7.145 0.940 -13.915 1.00 1.00 H new ATOM 0 HA ARG A 11 -7.618 1.319 -11.057 1.00 1.00 H new ATOM 0 HB2 ARG A 11 -8.535 -1.006 -11.234 1.00 1.00 H new ATOM 0 HB3 ARG A 11 -9.230 0.078 -12.422 1.00 1.00 H new ATOM 0 HG2 ARG A 11 -6.767 -1.197 -13.434 1.00 1.00 H new ATOM 0 HG3 ARG A 11 -7.958 -2.390 -12.955 1.00 1.00 H new ATOM 0 HD2 ARG A 11 -8.684 0.008 -14.703 1.00 1.00 H new ATOM 0 HD3 ARG A 11 -8.122 -1.503 -15.389 1.00 1.00 H new ATOM 0 HE ARG A 11 -10.135 -2.552 -13.974 1.00 1.00 H new ATOM 0 HH11 ARG A 11 -11.137 0.210 -13.185 1.00 1.00 H new ATOM 0 HH12 ARG A 11 -12.349 0.523 -14.432 1.00 1.00 H new ATOM 0 HH21 ARG A 11 -11.154 -1.977 -16.571 1.00 1.00 H new ATOM 0 HH22 ARG A 11 -12.358 -0.706 -16.335 1.00 1.00 H new ATOM 188 N VAL A 12 -5.901 -0.177 -9.927 1.00 1.00 N ATOM 189 CA VAL A 12 -4.731 -0.836 -9.247 1.00 1.00 C ATOM 190 C VAL A 12 -3.405 -0.458 -9.937 1.00 1.00 C ATOM 191 O VAL A 12 -3.276 0.617 -10.500 1.00 1.00 O ATOM 192 CB VAL A 12 -4.922 -2.366 -9.233 1.00 1.00 C ATOM 193 CG1 VAL A 12 -6.061 -2.726 -8.286 1.00 1.00 C ATOM 194 CG2 VAL A 12 -5.247 -2.888 -10.637 1.00 1.00 C ATOM 0 H VAL A 12 -6.613 0.173 -9.286 1.00 1.00 H new ATOM 0 HA VAL A 12 -4.683 -0.479 -8.218 1.00 1.00 H new ATOM 0 HB VAL A 12 -3.994 -2.828 -8.895 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -6.197 -3.807 -8.275 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -5.821 -2.380 -7.280 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -6.980 -2.248 -8.624 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -5.377 -3.970 -10.602 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -6.166 -2.423 -10.994 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -4.429 -2.643 -11.315 1.00 1.00 H new ATOM 204 N ARG A 13 -2.415 -1.329 -9.881 1.00 1.00 N ATOM 205 CA ARG A 13 -1.087 -1.036 -10.519 1.00 1.00 C ATOM 206 C ARG A 13 -0.454 0.214 -9.882 1.00 1.00 C ATOM 207 O ARG A 13 -0.971 0.767 -8.927 1.00 1.00 O ATOM 208 CB ARG A 13 -1.274 -0.811 -12.027 1.00 1.00 C ATOM 209 CG ARG A 13 -1.899 -2.056 -12.666 1.00 1.00 C ATOM 210 CD ARG A 13 -0.811 -3.100 -12.931 1.00 1.00 C ATOM 211 NE ARG A 13 -1.261 -4.027 -14.009 1.00 1.00 N ATOM 212 CZ ARG A 13 -0.895 -3.820 -15.247 1.00 1.00 C ATOM 213 NH1 ARG A 13 -1.606 -3.037 -16.016 1.00 1.00 N ATOM 214 NH2 ARG A 13 0.183 -4.396 -15.714 1.00 1.00 N ATOM 0 H ARG A 13 -2.474 -2.235 -9.417 1.00 1.00 H new ATOM 0 HA ARG A 13 -0.425 -1.887 -10.360 1.00 1.00 H new ATOM 0 HB2 ARG A 13 -1.913 0.056 -12.198 1.00 1.00 H new ATOM 0 HB3 ARG A 13 -0.313 -0.596 -12.493 1.00 1.00 H new ATOM 0 HG2 ARG A 13 -2.662 -2.471 -12.007 1.00 1.00 H new ATOM 0 HG3 ARG A 13 -2.395 -1.788 -13.599 1.00 1.00 H new ATOM 0 HD2 ARG A 13 0.116 -2.608 -13.224 1.00 1.00 H new ATOM 0 HD3 ARG A 13 -0.600 -3.660 -12.020 1.00 1.00 H new ATOM 0 HE ARG A 13 -1.855 -4.824 -13.780 1.00 1.00 H new ATOM 0 HH11 ARG A 13 -2.446 -2.588 -15.650 1.00 1.00 H new ATOM 0 HH12 ARG A 13 -1.321 -2.875 -16.982 1.00 1.00 H new ATOM 0 HH21 ARG A 13 0.737 -5.006 -15.112 1.00 1.00 H new ATOM 0 HH22 ARG A 13 0.470 -4.235 -16.680 1.00 1.00 H new ATOM 228 N ILE A 14 0.667 0.659 -10.406 1.00 1.00 N ATOM 229 CA ILE A 14 1.341 1.869 -9.839 1.00 1.00 C ATOM 230 C ILE A 14 2.249 2.506 -10.906 1.00 1.00 C ATOM 231 O ILE A 14 3.085 1.836 -11.486 1.00 1.00 O ATOM 232 CB ILE A 14 2.172 1.466 -8.606 1.00 1.00 C ATOM 233 CG1 ILE A 14 2.891 2.698 -8.043 1.00 1.00 C ATOM 234 CG2 ILE A 14 3.209 0.404 -8.992 1.00 1.00 C ATOM 235 CD1 ILE A 14 2.950 2.606 -6.517 1.00 1.00 C ATOM 0 H ILE A 14 1.142 0.234 -11.202 1.00 1.00 H new ATOM 0 HA ILE A 14 0.588 2.597 -9.538 1.00 1.00 H new ATOM 0 HB ILE A 14 1.503 1.055 -7.850 1.00 1.00 H new ATOM 0 HG12 ILE A 14 3.899 2.762 -8.453 1.00 1.00 H new ATOM 0 HG13 ILE A 14 2.367 3.606 -8.343 1.00 1.00 H new ATOM 0 HG21 ILE A 14 3.791 0.127 -8.113 1.00 1.00 H new ATOM 0 HG22 ILE A 14 2.700 -0.477 -9.383 1.00 1.00 H new ATOM 0 HG23 ILE A 14 3.875 0.806 -9.755 1.00 1.00 H new ATOM 0 HD11 ILE A 14 3.461 3.483 -6.119 1.00 1.00 H new ATOM 0 HD12 ILE A 14 1.937 2.563 -6.116 1.00 1.00 H new ATOM 0 HD13 ILE A 14 3.493 1.706 -6.227 1.00 1.00 H new ATOM 247 N PRO A 15 2.058 3.791 -11.129 1.00 1.00 N ATOM 248 CA PRO A 15 2.850 4.558 -12.115 1.00 1.00 C ATOM 249 C PRO A 15 4.246 4.882 -11.561 1.00 1.00 C ATOM 250 O PRO A 15 5.184 5.075 -12.314 1.00 1.00 O ATOM 251 CB PRO A 15 2.028 5.834 -12.324 1.00 1.00 C ATOM 252 CG PRO A 15 1.141 5.993 -11.067 1.00 1.00 C ATOM 253 CD PRO A 15 1.038 4.598 -10.422 1.00 1.00 C ATOM 0 HA PRO A 15 3.020 4.011 -13.042 1.00 1.00 H new ATOM 0 HB2 PRO A 15 2.679 6.699 -12.452 1.00 1.00 H new ATOM 0 HB3 PRO A 15 1.417 5.759 -13.224 1.00 1.00 H new ATOM 0 HG2 PRO A 15 1.579 6.710 -10.372 1.00 1.00 H new ATOM 0 HG3 PRO A 15 0.154 6.370 -11.334 1.00 1.00 H new ATOM 0 HD2 PRO A 15 1.236 4.640 -9.351 1.00 1.00 H new ATOM 0 HD3 PRO A 15 0.041 4.175 -10.546 1.00 1.00 H new ATOM 261 N ARG A 16 4.388 4.939 -10.252 1.00 1.00 N ATOM 262 CA ARG A 16 5.720 5.245 -9.641 1.00 1.00 C ATOM 263 C ARG A 16 6.720 4.148 -10.026 1.00 1.00 C ATOM 264 O ARG A 16 6.549 2.991 -9.684 1.00 1.00 O ATOM 265 CB ARG A 16 5.585 5.299 -8.113 1.00 1.00 C ATOM 266 CG ARG A 16 4.772 6.533 -7.711 1.00 1.00 C ATOM 267 CD ARG A 16 5.712 7.722 -7.501 1.00 1.00 C ATOM 268 NE ARG A 16 4.907 8.958 -7.277 1.00 1.00 N ATOM 269 CZ ARG A 16 4.700 9.393 -6.062 1.00 1.00 C ATOM 270 NH1 ARG A 16 3.809 8.811 -5.302 1.00 1.00 N ATOM 271 NH2 ARG A 16 5.384 10.412 -5.608 1.00 1.00 N ATOM 0 H ARG A 16 3.634 4.786 -9.583 1.00 1.00 H new ATOM 0 HA ARG A 16 6.075 6.208 -10.007 1.00 1.00 H new ATOM 0 HB2 ARG A 16 5.096 4.395 -7.749 1.00 1.00 H new ATOM 0 HB3 ARG A 16 6.572 5.336 -7.652 1.00 1.00 H new ATOM 0 HG2 ARG A 16 4.041 6.767 -8.485 1.00 1.00 H new ATOM 0 HG3 ARG A 16 4.215 6.331 -6.796 1.00 1.00 H new ATOM 0 HD2 ARG A 16 6.362 7.539 -6.646 1.00 1.00 H new ATOM 0 HD3 ARG A 16 6.357 7.848 -8.371 1.00 1.00 H new ATOM 0 HE ARG A 16 4.518 9.464 -8.073 1.00 1.00 H new ATOM 0 HH11 ARG A 16 3.276 8.018 -5.657 1.00 1.00 H new ATOM 0 HH12 ARG A 16 3.647 9.150 -4.354 1.00 1.00 H new ATOM 0 HH21 ARG A 16 6.078 10.866 -6.202 1.00 1.00 H new ATOM 0 HH22 ARG A 16 5.223 10.752 -4.660 1.00 1.00 H new ATOM 285 N LYS A 17 7.758 4.510 -10.743 1.00 1.00 N ATOM 286 CA LYS A 17 8.779 3.503 -11.168 1.00 1.00 C ATOM 287 C LYS A 17 10.155 3.912 -10.623 1.00 1.00 C ATOM 288 O LYS A 17 11.135 3.970 -11.347 1.00 1.00 O ATOM 289 CB LYS A 17 8.810 3.433 -12.700 1.00 1.00 C ATOM 290 CG LYS A 17 7.609 2.626 -13.199 1.00 1.00 C ATOM 291 CD LYS A 17 7.295 3.011 -14.647 1.00 1.00 C ATOM 292 CE LYS A 17 6.675 1.814 -15.373 1.00 1.00 C ATOM 293 NZ LYS A 17 7.745 1.036 -16.062 1.00 1.00 N ATOM 0 H LYS A 17 7.941 5.464 -11.053 1.00 1.00 H new ATOM 0 HA LYS A 17 8.522 2.520 -10.773 1.00 1.00 H new ATOM 0 HB2 LYS A 17 8.786 4.438 -13.121 1.00 1.00 H new ATOM 0 HB3 LYS A 17 9.738 2.969 -13.035 1.00 1.00 H new ATOM 0 HG2 LYS A 17 7.823 1.559 -13.134 1.00 1.00 H new ATOM 0 HG3 LYS A 17 6.742 2.816 -12.566 1.00 1.00 H new ATOM 0 HD2 LYS A 17 6.609 3.858 -14.668 1.00 1.00 H new ATOM 0 HD3 LYS A 17 8.206 3.326 -15.156 1.00 1.00 H new ATOM 0 HE2 LYS A 17 6.149 1.177 -14.662 1.00 1.00 H new ATOM 0 HE3 LYS A 17 5.938 2.158 -16.098 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 7.321 0.224 -16.554 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 8.228 1.646 -16.752 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 8.433 0.695 -15.360 1.00 1.00 H new ATOM 307 N GLU A 18 10.231 4.192 -9.343 1.00 1.00 N ATOM 308 CA GLU A 18 11.531 4.597 -8.724 1.00 1.00 C ATOM 309 C GLU A 18 12.446 3.370 -8.628 1.00 1.00 C ATOM 310 O GLU A 18 13.523 3.344 -9.198 1.00 1.00 O ATOM 311 CB GLU A 18 11.281 5.161 -7.320 1.00 1.00 C ATOM 312 CG GLU A 18 10.679 6.568 -7.428 1.00 1.00 C ATOM 313 CD GLU A 18 9.151 6.475 -7.511 1.00 1.00 C ATOM 314 OE1 GLU A 18 8.531 6.247 -6.483 1.00 1.00 O ATOM 315 OE2 GLU A 18 8.626 6.636 -8.602 1.00 1.00 O ATOM 0 H GLU A 18 9.442 4.157 -8.698 1.00 1.00 H new ATOM 0 HA GLU A 18 12.005 5.362 -9.338 1.00 1.00 H new ATOM 0 HB2 GLU A 18 10.605 4.507 -6.770 1.00 1.00 H new ATOM 0 HB3 GLU A 18 12.216 5.197 -6.760 1.00 1.00 H new ATOM 0 HG2 GLU A 18 10.970 7.165 -6.564 1.00 1.00 H new ATOM 0 HG3 GLU A 18 11.070 7.074 -8.311 1.00 1.00 H new ATOM 322 N GLU A 19 12.014 2.356 -7.916 1.00 1.00 N ATOM 323 CA GLU A 19 12.837 1.115 -7.773 1.00 1.00 C ATOM 324 C GLU A 19 11.959 -0.011 -7.213 1.00 1.00 C ATOM 325 O GLU A 19 11.832 -1.062 -7.814 1.00 1.00 O ATOM 326 CB GLU A 19 14.009 1.376 -6.819 1.00 1.00 C ATOM 327 CG GLU A 19 15.144 0.393 -7.124 1.00 1.00 C ATOM 328 CD GLU A 19 16.301 0.620 -6.145 1.00 1.00 C ATOM 329 OE1 GLU A 19 16.285 0.010 -5.088 1.00 1.00 O ATOM 330 OE2 GLU A 19 17.182 1.399 -6.469 1.00 1.00 O ATOM 0 H GLU A 19 11.120 2.336 -7.425 1.00 1.00 H new ATOM 0 HA GLU A 19 13.229 0.825 -8.748 1.00 1.00 H new ATOM 0 HB2 GLU A 19 14.362 2.401 -6.931 1.00 1.00 H new ATOM 0 HB3 GLU A 19 13.683 1.262 -5.785 1.00 1.00 H new ATOM 0 HG2 GLU A 19 14.782 -0.632 -7.043 1.00 1.00 H new ATOM 0 HG3 GLU A 19 15.490 0.529 -8.149 1.00 1.00 H new ATOM 337 N ASN A 20 11.356 0.208 -6.065 1.00 1.00 N ATOM 338 CA ASN A 20 10.479 -0.839 -5.450 1.00 1.00 C ATOM 339 C ASN A 20 9.625 -0.210 -4.341 1.00 1.00 C ATOM 340 O ASN A 20 10.122 0.514 -3.496 1.00 1.00 O ATOM 341 CB ASN A 20 11.340 -1.972 -4.861 1.00 1.00 C ATOM 342 CG ASN A 20 12.614 -1.398 -4.227 1.00 1.00 C ATOM 343 OD1 ASN A 20 13.656 -1.367 -4.853 1.00 1.00 O ATOM 344 ND2 ASN A 20 12.577 -0.942 -3.004 1.00 1.00 N ATOM 0 H ASN A 20 11.435 1.071 -5.527 1.00 1.00 H new ATOM 0 HA ASN A 20 9.827 -1.253 -6.220 1.00 1.00 H new ATOM 0 HB2 ASN A 20 10.768 -2.521 -4.112 1.00 1.00 H new ATOM 0 HB3 ASN A 20 11.604 -2.682 -5.644 1.00 1.00 H new ATOM 0 HD21 ASN A 20 13.421 -0.561 -2.576 1.00 1.00 H new ATOM 0 HD22 ASN A 20 11.704 -0.967 -2.477 1.00 1.00 H new ATOM 351 N GLU A 21 8.342 -0.486 -4.344 1.00 1.00 N ATOM 352 CA GLU A 21 7.439 0.086 -3.298 1.00 1.00 C ATOM 353 C GLU A 21 7.106 -0.990 -2.255 1.00 1.00 C ATOM 354 O GLU A 21 7.361 -2.166 -2.455 1.00 1.00 O ATOM 355 CB GLU A 21 6.147 0.586 -3.953 1.00 1.00 C ATOM 356 CG GLU A 21 6.235 2.101 -4.175 1.00 1.00 C ATOM 357 CD GLU A 21 6.974 2.393 -5.487 1.00 1.00 C ATOM 358 OE1 GLU A 21 6.322 2.425 -6.519 1.00 1.00 O ATOM 359 OE2 GLU A 21 8.179 2.584 -5.438 1.00 1.00 O ATOM 0 H GLU A 21 7.881 -1.085 -5.029 1.00 1.00 H new ATOM 0 HA GLU A 21 7.941 0.919 -2.806 1.00 1.00 H new ATOM 0 HB2 GLU A 21 5.989 0.078 -4.904 1.00 1.00 H new ATOM 0 HB3 GLU A 21 5.292 0.350 -3.320 1.00 1.00 H new ATOM 0 HG2 GLU A 21 5.234 2.532 -4.207 1.00 1.00 H new ATOM 0 HG3 GLU A 21 6.757 2.570 -3.341 1.00 1.00 H new ATOM 366 N ILE A 22 6.537 -0.590 -1.143 1.00 1.00 N ATOM 367 CA ILE A 22 6.178 -1.572 -0.066 1.00 1.00 C ATOM 368 C ILE A 22 4.651 -1.613 0.081 1.00 1.00 C ATOM 369 O ILE A 22 3.968 -0.713 -0.385 1.00 1.00 O ATOM 370 CB ILE A 22 6.848 -1.158 1.251 1.00 1.00 C ATOM 371 CG1 ILE A 22 7.175 0.347 1.235 1.00 1.00 C ATOM 372 CG2 ILE A 22 8.143 -1.949 1.399 1.00 1.00 C ATOM 373 CD1 ILE A 22 7.860 0.750 2.540 1.00 1.00 C ATOM 0 H ILE A 22 6.304 0.380 -0.932 1.00 1.00 H new ATOM 0 HA ILE A 22 6.533 -2.569 -0.329 1.00 1.00 H new ATOM 0 HB ILE A 22 6.174 -1.361 2.083 1.00 1.00 H new ATOM 0 HG12 ILE A 22 7.823 0.577 0.389 1.00 1.00 H new ATOM 0 HG13 ILE A 22 6.260 0.924 1.102 1.00 1.00 H new ATOM 0 HG21 ILE A 22 8.636 -1.669 2.330 1.00 1.00 H new ATOM 0 HG22 ILE A 22 7.918 -3.015 1.413 1.00 1.00 H new ATOM 0 HG23 ILE A 22 8.802 -1.728 0.559 1.00 1.00 H new ATOM 0 HD11 ILE A 22 8.087 1.816 2.518 1.00 1.00 H new ATOM 0 HD12 ILE A 22 7.198 0.537 3.379 1.00 1.00 H new ATOM 0 HD13 ILE A 22 8.785 0.185 2.655 1.00 1.00 H new ATOM 385 N LEU A 23 4.087 -2.643 0.693 1.00 1.00 N ATOM 386 CA LEU A 23 2.570 -2.665 0.788 1.00 1.00 C ATOM 387 C LEU A 23 2.152 -2.860 2.233 1.00 1.00 C ATOM 388 O LEU A 23 2.563 -3.814 2.853 1.00 1.00 O ATOM 389 CB LEU A 23 2.011 -3.807 -0.069 1.00 1.00 C ATOM 390 CG LEU A 23 0.928 -3.278 -1.019 1.00 1.00 C ATOM 391 CD1 LEU A 23 -0.242 -2.712 -0.207 1.00 1.00 C ATOM 392 CD2 LEU A 23 1.514 -2.179 -1.913 1.00 1.00 C ATOM 0 H LEU A 23 4.577 -3.433 1.112 1.00 1.00 H new ATOM 0 HA LEU A 23 2.175 -1.717 0.422 1.00 1.00 H new ATOM 0 HB2 LEU A 23 2.815 -4.267 -0.643 1.00 1.00 H new ATOM 0 HB3 LEU A 23 1.594 -4.582 0.573 1.00 1.00 H new ATOM 0 HG LEU A 23 0.570 -4.096 -1.643 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -1.008 -2.338 -0.886 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -0.664 -3.498 0.419 1.00 1.00 H new ATOM 0 HD13 LEU A 23 0.113 -1.897 0.424 1.00 1.00 H new ATOM 0 HD21 LEU A 23 0.741 -1.807 -2.586 1.00 1.00 H new ATOM 0 HD22 LEU A 23 1.879 -1.361 -1.292 1.00 1.00 H new ATOM 0 HD23 LEU A 23 2.338 -2.587 -2.498 1.00 1.00 H new ATOM 404 N GLY A 24 1.369 -1.973 2.800 1.00 1.00 N ATOM 405 CA GLY A 24 0.996 -2.142 4.239 1.00 1.00 C ATOM 406 C GLY A 24 -0.460 -1.773 4.505 1.00 1.00 C ATOM 407 O GLY A 24 -1.106 -1.107 3.722 1.00 1.00 O ATOM 0 H GLY A 24 0.978 -1.152 2.337 1.00 1.00 H new ATOM 0 HA2 GLY A 24 1.167 -3.176 4.538 1.00 1.00 H new ATOM 0 HA3 GLY A 24 1.645 -1.520 4.856 1.00 1.00 H new ATOM 411 N ILE A 25 -0.964 -2.196 5.637 1.00 1.00 N ATOM 412 CA ILE A 25 -2.365 -1.867 6.018 1.00 1.00 C ATOM 413 C ILE A 25 -2.330 -0.656 6.959 1.00 1.00 C ATOM 414 O ILE A 25 -1.387 -0.472 7.724 1.00 1.00 O ATOM 415 CB ILE A 25 -3.020 -3.068 6.720 1.00 1.00 C ATOM 416 CG1 ILE A 25 -2.162 -3.514 7.914 1.00 1.00 C ATOM 417 CG2 ILE A 25 -3.154 -4.228 5.727 1.00 1.00 C ATOM 418 CD1 ILE A 25 -3.025 -4.301 8.905 1.00 1.00 C ATOM 0 H ILE A 25 -0.457 -2.761 6.318 1.00 1.00 H new ATOM 0 HA ILE A 25 -2.952 -1.635 5.129 1.00 1.00 H new ATOM 0 HB ILE A 25 -4.006 -2.776 7.080 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -1.333 -4.132 7.568 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -1.727 -2.644 8.407 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -3.618 -5.080 6.223 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -3.773 -3.917 4.885 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -2.166 -4.513 5.365 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -2.413 -4.616 9.750 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -3.838 -3.669 9.261 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -3.439 -5.179 8.410 1.00 1.00 H new ATOM 430 N ILE A 26 -3.337 0.183 6.885 1.00 1.00 N ATOM 431 CA ILE A 26 -3.371 1.406 7.738 1.00 1.00 C ATOM 432 C ILE A 26 -4.239 1.205 8.970 1.00 1.00 C ATOM 433 O ILE A 26 -5.245 0.498 8.956 1.00 1.00 O ATOM 434 CB ILE A 26 -3.927 2.612 6.972 1.00 1.00 C ATOM 435 CG1 ILE A 26 -5.091 2.192 6.066 1.00 1.00 C ATOM 436 CG2 ILE A 26 -2.831 3.247 6.135 1.00 1.00 C ATOM 437 CD1 ILE A 26 -6.050 3.372 5.888 1.00 1.00 C ATOM 0 H ILE A 26 -4.139 0.069 6.266 1.00 1.00 H new ATOM 0 HA ILE A 26 -2.339 1.594 8.034 1.00 1.00 H new ATOM 0 HB ILE A 26 -4.295 3.337 7.698 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -4.713 1.868 5.097 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -5.618 1.344 6.503 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -3.236 4.103 5.595 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -2.022 3.578 6.786 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -2.448 2.516 5.423 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -6.878 3.074 5.244 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -6.438 3.676 6.860 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -5.518 4.207 5.433 1.00 1.00 H new ATOM 449 N GLU A 27 -3.840 1.878 10.017 1.00 1.00 N ATOM 450 CA GLU A 27 -4.568 1.843 11.317 1.00 1.00 C ATOM 451 C GLU A 27 -4.552 3.258 11.916 1.00 1.00 C ATOM 452 O GLU A 27 -3.512 3.894 11.993 1.00 1.00 O ATOM 453 CB GLU A 27 -3.865 0.869 12.269 1.00 1.00 C ATOM 454 CG GLU A 27 -4.775 0.563 13.462 1.00 1.00 C ATOM 455 CD GLU A 27 -4.074 -0.422 14.403 1.00 1.00 C ATOM 456 OE1 GLU A 27 -3.299 0.029 15.232 1.00 1.00 O ATOM 457 OE2 GLU A 27 -4.323 -1.610 14.281 1.00 1.00 O ATOM 0 H GLU A 27 -3.010 2.471 10.022 1.00 1.00 H new ATOM 0 HA GLU A 27 -5.596 1.512 11.168 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -3.617 -0.053 11.743 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -2.926 1.300 12.617 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -5.015 1.483 13.995 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -5.718 0.141 13.114 1.00 1.00 H new ATOM 464 N GLN A 28 -5.696 3.759 12.326 1.00 1.00 N ATOM 465 CA GLN A 28 -5.755 5.142 12.902 1.00 1.00 C ATOM 466 C GLN A 28 -4.838 5.254 14.129 1.00 1.00 C ATOM 467 O GLN A 28 -4.742 4.344 14.934 1.00 1.00 O ATOM 468 CB GLN A 28 -7.199 5.486 13.299 1.00 1.00 C ATOM 469 CG GLN A 28 -7.676 4.567 14.430 1.00 1.00 C ATOM 470 CD GLN A 28 -8.974 5.123 15.030 1.00 1.00 C ATOM 471 OE1 GLN A 28 -9.964 5.268 14.341 1.00 1.00 O ATOM 472 NE2 GLN A 28 -9.009 5.440 16.296 1.00 1.00 N ATOM 0 H GLN A 28 -6.590 3.270 12.286 1.00 1.00 H new ATOM 0 HA GLN A 28 -5.413 5.847 12.144 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -7.257 6.527 13.618 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -7.855 5.381 12.435 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -7.842 3.560 14.048 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -6.909 4.494 15.201 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -8.178 5.319 16.875 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -9.867 5.809 16.706 1.00 1.00 H new ATOM 481 N MET A 29 -4.170 6.375 14.272 1.00 1.00 N ATOM 482 CA MET A 29 -3.258 6.582 15.438 1.00 1.00 C ATOM 483 C MET A 29 -3.984 7.436 16.497 1.00 1.00 C ATOM 484 O MET A 29 -5.160 7.237 16.749 1.00 1.00 O ATOM 485 CB MET A 29 -1.981 7.284 14.948 1.00 1.00 C ATOM 486 CG MET A 29 -0.788 6.834 15.796 1.00 1.00 C ATOM 487 SD MET A 29 0.730 7.568 15.138 1.00 1.00 S ATOM 488 CE MET A 29 1.151 8.566 16.588 1.00 1.00 C ATOM 0 H MET A 29 -4.220 7.161 13.624 1.00 1.00 H new ATOM 0 HA MET A 29 -2.984 5.628 15.889 1.00 1.00 H new ATOM 0 HB2 MET A 29 -1.804 7.047 13.899 1.00 1.00 H new ATOM 0 HB3 MET A 29 -2.100 8.365 15.015 1.00 1.00 H new ATOM 0 HG2 MET A 29 -0.931 7.136 16.833 1.00 1.00 H new ATOM 0 HG3 MET A 29 -0.712 5.747 15.788 1.00 1.00 H new ATOM 0 HE1 MET A 29 2.083 9.100 16.404 1.00 1.00 H new ATOM 0 HE2 MET A 29 0.353 9.284 16.780 1.00 1.00 H new ATOM 0 HE3 MET A 29 1.271 7.916 17.455 1.00 1.00 H new ATOM 498 N LEU A 30 -3.306 8.384 17.115 1.00 1.00 N ATOM 499 CA LEU A 30 -3.972 9.244 18.145 1.00 1.00 C ATOM 500 C LEU A 30 -5.061 10.097 17.478 1.00 1.00 C ATOM 501 O LEU A 30 -6.099 10.350 18.060 1.00 1.00 O ATOM 502 CB LEU A 30 -2.932 10.165 18.797 1.00 1.00 C ATOM 503 CG LEU A 30 -2.271 9.444 19.976 1.00 1.00 C ATOM 504 CD1 LEU A 30 -1.073 8.635 19.475 1.00 1.00 C ATOM 505 CD2 LEU A 30 -1.792 10.475 21.002 1.00 1.00 C ATOM 0 H LEU A 30 -2.322 8.595 16.948 1.00 1.00 H new ATOM 0 HA LEU A 30 -4.424 8.608 18.907 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -2.177 10.453 18.065 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -3.409 11.083 19.141 1.00 1.00 H new ATOM 0 HG LEU A 30 -2.994 8.774 20.441 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -0.603 8.122 20.315 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -1.410 7.900 18.744 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -0.351 9.305 19.009 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.322 9.962 21.841 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -1.070 11.145 20.535 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -2.643 11.053 21.361 1.00 1.00 H new ATOM 517 N GLY A 31 -4.828 10.537 16.258 1.00 1.00 N ATOM 518 CA GLY A 31 -5.841 11.371 15.541 1.00 1.00 C ATOM 519 C GLY A 31 -5.298 12.790 15.357 1.00 1.00 C ATOM 520 O GLY A 31 -5.607 13.683 16.125 1.00 1.00 O ATOM 0 H GLY A 31 -3.975 10.351 15.731 1.00 1.00 H new ATOM 0 HA2 GLY A 31 -6.070 10.930 14.571 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -6.772 11.397 16.107 1.00 1.00 H new ATOM 524 N ALA A 32 -4.489 12.998 14.344 1.00 1.00 N ATOM 525 CA ALA A 32 -3.913 14.356 14.098 1.00 1.00 C ATOM 526 C ALA A 32 -3.772 14.595 12.589 1.00 1.00 C ATOM 527 O ALA A 32 -4.422 15.460 12.029 1.00 1.00 O ATOM 528 CB ALA A 32 -2.537 14.454 14.765 1.00 1.00 C ATOM 0 H ALA A 32 -4.203 12.282 13.676 1.00 1.00 H new ATOM 0 HA ALA A 32 -4.577 15.111 14.519 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -2.116 15.443 14.587 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -2.640 14.292 15.838 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -1.875 13.697 14.346 1.00 1.00 H new ATOM 534 N SER A 33 -2.924 13.835 11.930 1.00 1.00 N ATOM 535 CA SER A 33 -2.727 14.013 10.456 1.00 1.00 C ATOM 536 C SER A 33 -2.121 12.742 9.848 1.00 1.00 C ATOM 537 O SER A 33 -2.564 12.273 8.816 1.00 1.00 O ATOM 538 CB SER A 33 -1.784 15.194 10.205 1.00 1.00 C ATOM 539 OG SER A 33 -2.542 16.327 9.804 1.00 1.00 O ATOM 0 H SER A 33 -2.360 13.098 12.353 1.00 1.00 H new ATOM 0 HA SER A 33 -3.693 14.207 9.990 1.00 1.00 H new ATOM 0 HB2 SER A 33 -1.220 15.422 11.110 1.00 1.00 H new ATOM 0 HB3 SER A 33 -1.058 14.937 9.433 1.00 1.00 H new ATOM 0 HG SER A 33 -3.335 16.408 10.374 1.00 1.00 H new ATOM 545 N ARG A 34 -1.106 12.190 10.476 1.00 1.00 N ATOM 546 CA ARG A 34 -0.461 10.956 9.933 1.00 1.00 C ATOM 547 C ARG A 34 -0.989 9.718 10.669 1.00 1.00 C ATOM 548 O ARG A 34 -1.214 9.735 11.866 1.00 1.00 O ATOM 549 CB ARG A 34 1.058 11.044 10.115 1.00 1.00 C ATOM 550 CG ARG A 34 1.602 12.258 9.355 1.00 1.00 C ATOM 551 CD ARG A 34 3.103 12.396 9.619 1.00 1.00 C ATOM 552 NE ARG A 34 3.324 12.839 11.026 1.00 1.00 N ATOM 553 CZ ARG A 34 4.197 13.776 11.287 1.00 1.00 C ATOM 554 NH1 ARG A 34 5.463 13.472 11.409 1.00 1.00 N ATOM 555 NH2 ARG A 34 3.801 15.015 11.426 1.00 1.00 N ATOM 0 H ARG A 34 -0.699 12.544 11.342 1.00 1.00 H new ATOM 0 HA ARG A 34 -0.699 10.872 8.873 1.00 1.00 H new ATOM 0 HB2 ARG A 34 1.302 11.127 11.174 1.00 1.00 H new ATOM 0 HB3 ARG A 34 1.531 10.133 9.749 1.00 1.00 H new ATOM 0 HG2 ARG A 34 1.419 12.143 8.287 1.00 1.00 H new ATOM 0 HG3 ARG A 34 1.082 13.162 9.672 1.00 1.00 H new ATOM 0 HD2 ARG A 34 3.603 11.443 9.444 1.00 1.00 H new ATOM 0 HD3 ARG A 34 3.540 13.116 8.927 1.00 1.00 H new ATOM 0 HE ARG A 34 2.794 12.411 11.785 1.00 1.00 H new ATOM 0 HH11 ARG A 34 5.768 12.505 11.300 1.00 1.00 H new ATOM 0 HH12 ARG A 34 6.145 14.202 11.613 1.00 1.00 H new ATOM 0 HH21 ARG A 34 2.813 15.248 11.331 1.00 1.00 H new ATOM 0 HH22 ARG A 34 4.481 15.748 11.630 1.00 1.00 H new ATOM 569 N VAL A 35 -1.185 8.647 9.941 1.00 1.00 N ATOM 570 CA VAL A 35 -1.698 7.379 10.537 1.00 1.00 C ATOM 571 C VAL A 35 -0.522 6.418 10.772 1.00 1.00 C ATOM 572 O VAL A 35 0.541 6.568 10.193 1.00 1.00 O ATOM 573 CB VAL A 35 -2.721 6.774 9.556 1.00 1.00 C ATOM 574 CG1 VAL A 35 -2.492 5.272 9.360 1.00 1.00 C ATOM 575 CG2 VAL A 35 -4.134 7.009 10.089 1.00 1.00 C ATOM 0 H VAL A 35 -1.007 8.599 8.938 1.00 1.00 H new ATOM 0 HA VAL A 35 -2.182 7.562 11.497 1.00 1.00 H new ATOM 0 HB VAL A 35 -2.596 7.263 8.590 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -3.232 4.879 8.662 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -1.492 5.106 8.960 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -2.590 4.761 10.318 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -4.860 6.582 9.397 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -4.239 6.533 11.064 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -4.313 8.080 10.187 1.00 1.00 H new ATOM 585 N ARG A 36 -0.717 5.417 11.597 1.00 1.00 N ATOM 586 CA ARG A 36 0.380 4.424 11.850 1.00 1.00 C ATOM 587 C ARG A 36 0.117 3.210 10.968 1.00 1.00 C ATOM 588 O ARG A 36 -1.001 2.727 10.893 1.00 1.00 O ATOM 589 CB ARG A 36 0.419 3.992 13.322 1.00 1.00 C ATOM 590 CG ARG A 36 -0.998 3.900 13.896 1.00 1.00 C ATOM 591 CD ARG A 36 -0.970 3.104 15.201 1.00 1.00 C ATOM 592 NE ARG A 36 -2.337 3.073 15.794 1.00 1.00 N ATOM 593 CZ ARG A 36 -2.487 2.987 17.090 1.00 1.00 C ATOM 594 NH1 ARG A 36 -2.298 4.039 17.843 1.00 1.00 N ATOM 595 NH2 ARG A 36 -2.828 1.846 17.631 1.00 1.00 N ATOM 0 H ARG A 36 -1.584 5.243 12.105 1.00 1.00 H new ATOM 0 HA ARG A 36 1.342 4.881 11.618 1.00 1.00 H new ATOM 0 HB2 ARG A 36 0.916 3.026 13.410 1.00 1.00 H new ATOM 0 HB3 ARG A 36 1.006 4.706 13.900 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -1.394 4.899 14.076 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -1.662 3.418 13.178 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -0.621 2.089 15.013 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -0.269 3.558 15.901 1.00 1.00 H new ATOM 0 HE ARG A 36 -3.156 3.119 15.188 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -2.033 4.928 17.420 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -2.415 3.970 18.854 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -2.976 1.026 17.042 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -2.946 1.776 18.642 1.00 1.00 H new ATOM 609 N VAL A 37 1.112 2.745 10.250 1.00 1.00 N ATOM 610 CA VAL A 37 0.885 1.624 9.334 1.00 1.00 C ATOM 611 C VAL A 37 1.996 0.575 9.450 1.00 1.00 C ATOM 612 O VAL A 37 3.145 0.878 9.733 1.00 1.00 O ATOM 613 CB VAL A 37 0.905 2.218 7.935 1.00 1.00 C ATOM 614 CG1 VAL A 37 1.345 1.172 6.938 1.00 1.00 C ATOM 615 CG2 VAL A 37 -0.479 2.728 7.569 1.00 1.00 C ATOM 0 H VAL A 37 2.066 3.105 10.271 1.00 1.00 H new ATOM 0 HA VAL A 37 -0.057 1.127 9.566 1.00 1.00 H new ATOM 0 HB VAL A 37 1.609 3.050 7.913 1.00 1.00 H new ATOM 0 HG11 VAL A 37 1.357 1.605 5.938 1.00 1.00 H new ATOM 0 HG12 VAL A 37 2.345 0.823 7.194 1.00 1.00 H new ATOM 0 HG13 VAL A 37 0.651 0.332 6.962 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -0.457 3.152 6.565 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -1.190 1.903 7.598 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -0.784 3.495 8.280 1.00 1.00 H new ATOM 625 N ARG A 38 1.658 -0.644 9.136 1.00 1.00 N ATOM 626 CA ARG A 38 2.677 -1.740 9.114 1.00 1.00 C ATOM 627 C ARG A 38 2.599 -2.359 7.738 1.00 1.00 C ATOM 628 O ARG A 38 1.553 -2.357 7.112 1.00 1.00 O ATOM 629 CB ARG A 38 2.401 -2.799 10.164 1.00 1.00 C ATOM 630 CG ARG A 38 3.698 -3.172 10.885 1.00 1.00 C ATOM 631 CD ARG A 38 3.538 -4.540 11.552 1.00 1.00 C ATOM 632 NE ARG A 38 4.324 -5.557 10.795 1.00 1.00 N ATOM 633 CZ ARG A 38 3.757 -6.248 9.841 1.00 1.00 C ATOM 634 NH1 ARG A 38 3.068 -7.322 10.132 1.00 1.00 N ATOM 635 NH2 ARG A 38 3.880 -5.867 8.596 1.00 1.00 N ATOM 0 H ARG A 38 0.711 -0.934 8.891 1.00 1.00 H new ATOM 0 HA ARG A 38 3.664 -1.334 9.334 1.00 1.00 H new ATOM 0 HB2 ARG A 38 1.670 -2.429 10.882 1.00 1.00 H new ATOM 0 HB3 ARG A 38 1.968 -3.683 9.696 1.00 1.00 H new ATOM 0 HG2 ARG A 38 4.526 -3.196 10.177 1.00 1.00 H new ATOM 0 HG3 ARG A 38 3.940 -2.417 11.633 1.00 1.00 H new ATOM 0 HD2 ARG A 38 3.881 -4.495 12.586 1.00 1.00 H new ATOM 0 HD3 ARG A 38 2.486 -4.823 11.578 1.00 1.00 H new ATOM 0 HE ARG A 38 5.306 -5.714 11.022 1.00 1.00 H new ATOM 0 HH11 ARG A 38 2.973 -7.620 11.103 1.00 1.00 H new ATOM 0 HH12 ARG A 38 2.626 -7.861 9.388 1.00 1.00 H new ATOM 0 HH21 ARG A 38 4.418 -5.031 8.369 1.00 1.00 H new ATOM 0 HH22 ARG A 38 3.438 -6.406 7.852 1.00 1.00 H new ATOM 649 N CYS A 39 3.687 -2.835 7.231 1.00 1.00 N ATOM 650 CA CYS A 39 3.643 -3.383 5.851 1.00 1.00 C ATOM 651 C CYS A 39 4.545 -4.598 5.633 1.00 1.00 C ATOM 652 O CYS A 39 5.535 -4.818 6.318 1.00 1.00 O ATOM 653 CB CYS A 39 4.061 -2.263 4.893 1.00 1.00 C ATOM 654 SG CYS A 39 5.777 -2.491 4.367 1.00 1.00 S ATOM 0 H CYS A 39 4.593 -2.872 7.697 1.00 1.00 H new ATOM 0 HA CYS A 39 2.626 -3.731 5.668 1.00 1.00 H new ATOM 0 HB2 CYS A 39 3.405 -2.257 4.023 1.00 1.00 H new ATOM 0 HB3 CYS A 39 3.950 -1.296 5.383 1.00 1.00 H new ATOM 0 HG CYS A 39 5.821 -3.349 3.392 1.00 1.00 H new ATOM 660 N LEU A 40 4.228 -5.320 4.589 1.00 1.00 N ATOM 661 CA LEU A 40 5.031 -6.467 4.168 1.00 1.00 C ATOM 662 C LEU A 40 6.012 -5.955 3.118 1.00 1.00 C ATOM 663 O LEU A 40 6.048 -4.751 2.783 1.00 1.00 O ATOM 664 CB LEU A 40 4.148 -7.560 3.576 1.00 1.00 C ATOM 665 CG LEU A 40 3.904 -8.640 4.633 1.00 1.00 C ATOM 666 CD1 LEU A 40 2.886 -9.652 4.106 1.00 1.00 C ATOM 667 CD2 LEU A 40 5.220 -9.357 4.948 1.00 1.00 C ATOM 0 H LEU A 40 3.413 -5.141 4.002 1.00 1.00 H new ATOM 0 HA LEU A 40 5.555 -6.902 5.019 1.00 1.00 H new ATOM 0 HB2 LEU A 40 3.199 -7.138 3.245 1.00 1.00 H new ATOM 0 HB3 LEU A 40 4.627 -7.995 2.699 1.00 1.00 H new ATOM 0 HG LEU A 40 3.518 -8.176 5.540 1.00 1.00 H new ATOM 0 HD11 LEU A 40 2.713 -10.420 4.860 1.00 1.00 H new ATOM 0 HD12 LEU A 40 1.948 -9.143 3.885 1.00 1.00 H new ATOM 0 HD13 LEU A 40 3.270 -10.115 3.197 1.00 1.00 H new ATOM 0 HD21 LEU A 40 5.044 -10.126 5.701 1.00 1.00 H new ATOM 0 HD22 LEU A 40 5.608 -9.820 4.041 1.00 1.00 H new ATOM 0 HD23 LEU A 40 5.945 -8.637 5.327 1.00 1.00 H new ATOM 679 N ASP A 41 6.848 -6.848 2.668 1.00 1.00 N ATOM 680 CA ASP A 41 7.974 -6.488 1.777 1.00 1.00 C ATOM 681 C ASP A 41 9.028 -5.858 2.725 1.00 1.00 C ATOM 682 O ASP A 41 9.939 -5.162 2.315 1.00 1.00 O ATOM 683 CB ASP A 41 7.547 -5.488 0.682 1.00 1.00 C ATOM 684 CG ASP A 41 6.301 -6.005 -0.053 1.00 1.00 C ATOM 685 OD1 ASP A 41 6.416 -7.001 -0.753 1.00 1.00 O ATOM 686 OD2 ASP A 41 5.254 -5.394 0.091 1.00 1.00 O ATOM 0 H ASP A 41 6.791 -7.842 2.891 1.00 1.00 H new ATOM 0 HA ASP A 41 8.357 -7.355 1.239 1.00 1.00 H new ATOM 0 HB2 ASP A 41 7.337 -4.516 1.129 1.00 1.00 H new ATOM 0 HB3 ASP A 41 8.362 -5.344 -0.027 1.00 1.00 H new ATOM 691 N GLY A 42 8.918 -6.215 4.015 1.00 1.00 N ATOM 692 CA GLY A 42 9.896 -5.795 5.075 1.00 1.00 C ATOM 693 C GLY A 42 9.836 -4.311 5.471 1.00 1.00 C ATOM 694 O GLY A 42 10.872 -3.669 5.495 1.00 1.00 O ATOM 0 H GLY A 42 8.160 -6.799 4.368 1.00 1.00 H new ATOM 0 HA2 GLY A 42 9.724 -6.399 5.966 1.00 1.00 H new ATOM 0 HA3 GLY A 42 10.904 -6.021 4.727 1.00 1.00 H new ATOM 698 N LYS A 43 8.689 -3.741 5.825 1.00 1.00 N ATOM 699 CA LYS A 43 8.735 -2.302 6.248 1.00 1.00 C ATOM 700 C LYS A 43 7.703 -1.958 7.334 1.00 1.00 C ATOM 701 O LYS A 43 6.623 -2.515 7.399 1.00 1.00 O ATOM 702 CB LYS A 43 8.548 -1.382 5.043 1.00 1.00 C ATOM 703 CG LYS A 43 9.369 -0.102 5.246 1.00 1.00 C ATOM 704 CD LYS A 43 10.866 -0.422 5.164 1.00 1.00 C ATOM 705 CE LYS A 43 11.499 -0.271 6.551 1.00 1.00 C ATOM 706 NZ LYS A 43 12.940 -0.649 6.489 1.00 1.00 N ATOM 0 H LYS A 43 7.773 -4.189 5.838 1.00 1.00 H new ATOM 0 HA LYS A 43 9.721 -2.143 6.684 1.00 1.00 H new ATOM 0 HB2 LYS A 43 8.865 -1.889 4.132 1.00 1.00 H new ATOM 0 HB3 LYS A 43 7.493 -1.135 4.920 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.104 0.634 4.487 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.136 0.340 6.215 1.00 1.00 H new ATOM 0 HD2 LYS A 43 11.012 -1.437 4.795 1.00 1.00 H new ATOM 0 HD3 LYS A 43 11.353 0.248 4.456 1.00 1.00 H new ATOM 0 HE2 LYS A 43 11.397 0.757 6.898 1.00 1.00 H new ATOM 0 HE3 LYS A 43 10.978 -0.903 7.270 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 13.367 -0.546 7.432 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 13.027 -1.637 6.176 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 13.433 -0.028 5.816 1.00 1.00 H new ATOM 720 N THR A 44 8.036 -0.976 8.136 1.00 1.00 N ATOM 721 CA THR A 44 7.115 -0.453 9.204 1.00 1.00 C ATOM 722 C THR A 44 7.195 1.079 9.087 1.00 1.00 C ATOM 723 O THR A 44 8.271 1.667 9.183 1.00 1.00 O ATOM 724 CB THR A 44 7.567 -0.932 10.596 1.00 1.00 C ATOM 725 OG1 THR A 44 6.475 -0.841 11.507 1.00 1.00 O ATOM 726 CG2 THR A 44 8.726 -0.071 11.106 1.00 1.00 C ATOM 0 H THR A 44 8.936 -0.498 8.096 1.00 1.00 H new ATOM 0 HA THR A 44 6.094 -0.812 9.078 1.00 1.00 H new ATOM 0 HB THR A 44 7.901 -1.967 10.520 1.00 1.00 H new ATOM 0 HG1 THR A 44 6.761 -1.147 12.393 1.00 1.00 H new ATOM 0 HG21 THR A 44 9.034 -0.422 12.091 1.00 1.00 H new ATOM 0 HG22 THR A 44 9.566 -0.145 10.415 1.00 1.00 H new ATOM 0 HG23 THR A 44 8.404 0.968 11.176 1.00 1.00 H new ATOM 734 N ARG A 45 6.094 1.726 8.790 1.00 1.00 N ATOM 735 CA ARG A 45 6.162 3.200 8.567 1.00 1.00 C ATOM 736 C ARG A 45 4.903 3.931 9.022 1.00 1.00 C ATOM 737 O ARG A 45 3.827 3.370 9.119 1.00 1.00 O ATOM 738 CB ARG A 45 6.340 3.478 7.063 1.00 1.00 C ATOM 739 CG ARG A 45 7.287 2.454 6.424 1.00 1.00 C ATOM 740 CD ARG A 45 6.494 1.219 5.987 1.00 1.00 C ATOM 741 NE ARG A 45 5.814 1.500 4.693 1.00 1.00 N ATOM 742 CZ ARG A 45 4.641 0.982 4.443 1.00 1.00 C ATOM 743 NH1 ARG A 45 3.613 1.312 5.169 1.00 1.00 N ATOM 744 NH2 ARG A 45 4.493 0.145 3.453 1.00 1.00 N ATOM 0 H ARG A 45 5.170 1.306 8.694 1.00 1.00 H new ATOM 0 HA ARG A 45 7.003 3.565 9.156 1.00 1.00 H new ATOM 0 HB2 ARG A 45 5.371 3.442 6.566 1.00 1.00 H new ATOM 0 HB3 ARG A 45 6.735 4.484 6.919 1.00 1.00 H new ATOM 0 HG2 ARG A 45 7.791 2.897 5.565 1.00 1.00 H new ATOM 0 HG3 ARG A 45 8.062 2.168 7.135 1.00 1.00 H new ATOM 0 HD2 ARG A 45 7.161 0.364 5.882 1.00 1.00 H new ATOM 0 HD3 ARG A 45 5.758 0.958 6.748 1.00 1.00 H new ATOM 0 HE ARG A 45 6.265 2.098 4.000 1.00 1.00 H new ATOM 0 HH11 ARG A 45 3.722 1.976 5.935 1.00 1.00 H new ATOM 0 HH12 ARG A 45 2.698 0.906 4.972 1.00 1.00 H new ATOM 0 HH21 ARG A 45 5.294 -0.106 2.873 1.00 1.00 H new ATOM 0 HH22 ARG A 45 3.577 -0.259 3.259 1.00 1.00 H new ATOM 758 N LEU A 46 5.037 5.221 9.180 1.00 1.00 N ATOM 759 CA LEU A 46 3.862 6.081 9.495 1.00 1.00 C ATOM 760 C LEU A 46 3.465 6.663 8.137 1.00 1.00 C ATOM 761 O LEU A 46 4.294 7.228 7.442 1.00 1.00 O ATOM 762 CB LEU A 46 4.212 7.216 10.486 1.00 1.00 C ATOM 763 CG LEU A 46 5.732 7.362 10.661 1.00 1.00 C ATOM 764 CD1 LEU A 46 6.055 8.775 11.150 1.00 1.00 C ATOM 765 CD2 LEU A 46 6.233 6.341 11.691 1.00 1.00 C ATOM 0 H LEU A 46 5.923 5.721 9.103 1.00 1.00 H new ATOM 0 HA LEU A 46 3.066 5.515 9.978 1.00 1.00 H new ATOM 0 HB2 LEU A 46 3.794 8.156 10.126 1.00 1.00 H new ATOM 0 HB3 LEU A 46 3.751 7.012 11.452 1.00 1.00 H new ATOM 0 HG LEU A 46 6.224 7.184 9.705 1.00 1.00 H new ATOM 0 HD11 LEU A 46 7.133 8.879 11.274 1.00 1.00 H new ATOM 0 HD12 LEU A 46 5.702 9.503 10.419 1.00 1.00 H new ATOM 0 HD13 LEU A 46 5.561 8.951 12.105 1.00 1.00 H new ATOM 0 HD21 LEU A 46 7.311 6.447 11.813 1.00 1.00 H new ATOM 0 HD22 LEU A 46 5.740 6.517 12.647 1.00 1.00 H new ATOM 0 HD23 LEU A 46 6.004 5.333 11.345 1.00 1.00 H new ATOM 777 N GLY A 47 2.246 6.466 7.706 1.00 1.00 N ATOM 778 CA GLY A 47 1.864 6.937 6.340 1.00 1.00 C ATOM 779 C GLY A 47 1.196 8.306 6.368 1.00 1.00 C ATOM 780 O GLY A 47 0.436 8.631 7.263 1.00 1.00 O ATOM 0 H GLY A 47 1.505 6.005 8.234 1.00 1.00 H new ATOM 0 HA2 GLY A 47 2.753 6.982 5.711 1.00 1.00 H new ATOM 0 HA3 GLY A 47 1.187 6.214 5.884 1.00 1.00 H new ATOM 784 N ARG A 48 1.483 9.101 5.360 1.00 1.00 N ATOM 785 CA ARG A 48 0.884 10.458 5.260 1.00 1.00 C ATOM 786 C ARG A 48 -0.295 10.419 4.290 1.00 1.00 C ATOM 787 O ARG A 48 -0.258 9.748 3.272 1.00 1.00 O ATOM 788 CB ARG A 48 1.924 11.480 4.782 1.00 1.00 C ATOM 789 CG ARG A 48 2.555 11.026 3.461 1.00 1.00 C ATOM 790 CD ARG A 48 2.134 11.975 2.336 1.00 1.00 C ATOM 791 NE ARG A 48 2.885 13.258 2.453 1.00 1.00 N ATOM 792 CZ ARG A 48 2.241 14.381 2.634 1.00 1.00 C ATOM 793 NH1 ARG A 48 1.712 15.004 1.613 1.00 1.00 N ATOM 794 NH2 ARG A 48 2.128 14.884 3.836 1.00 1.00 N ATOM 0 H ARG A 48 2.115 8.857 4.598 1.00 1.00 H new ATOM 0 HA ARG A 48 0.537 10.764 6.247 1.00 1.00 H new ATOM 0 HB2 ARG A 48 1.452 12.454 4.651 1.00 1.00 H new ATOM 0 HB3 ARG A 48 2.699 11.601 5.539 1.00 1.00 H new ATOM 0 HG2 ARG A 48 3.641 11.012 3.551 1.00 1.00 H new ATOM 0 HG3 ARG A 48 2.242 10.008 3.228 1.00 1.00 H new ATOM 0 HD2 ARG A 48 2.329 11.515 1.367 1.00 1.00 H new ATOM 0 HD3 ARG A 48 1.062 12.164 2.389 1.00 1.00 H new ATOM 0 HE ARG A 48 3.903 13.259 2.392 1.00 1.00 H new ATOM 0 HH11 ARG A 48 1.802 14.614 0.675 1.00 1.00 H new ATOM 0 HH12 ARG A 48 1.210 15.880 1.755 1.00 1.00 H new ATOM 0 HH21 ARG A 48 2.542 14.400 4.632 1.00 1.00 H new ATOM 0 HH22 ARG A 48 1.625 15.760 3.977 1.00 1.00 H new ATOM 808 N ILE A 49 -1.345 11.125 4.610 1.00 1.00 N ATOM 809 CA ILE A 49 -2.555 11.134 3.731 1.00 1.00 C ATOM 810 C ILE A 49 -2.978 12.589 3.437 1.00 1.00 C ATOM 811 O ILE A 49 -2.475 13.513 4.053 1.00 1.00 O ATOM 812 CB ILE A 49 -3.696 10.395 4.449 1.00 1.00 C ATOM 813 CG1 ILE A 49 -3.925 11.012 5.836 1.00 1.00 C ATOM 814 CG2 ILE A 49 -3.330 8.916 4.606 1.00 1.00 C ATOM 815 CD1 ILE A 49 -5.422 11.015 6.156 1.00 1.00 C ATOM 0 H ILE A 49 -1.419 11.701 5.448 1.00 1.00 H new ATOM 0 HA ILE A 49 -2.329 10.636 2.788 1.00 1.00 H new ATOM 0 HB ILE A 49 -4.608 10.486 3.858 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -3.382 10.444 6.592 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -3.535 12.030 5.861 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -4.139 8.393 5.115 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -3.174 8.473 3.622 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -2.416 8.828 5.193 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -5.583 11.453 7.141 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -5.953 11.602 5.407 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -5.798 9.992 6.149 1.00 1.00 H new ATOM 827 N PRO A 50 -3.898 12.752 2.504 1.00 1.00 N ATOM 828 CA PRO A 50 -4.413 14.086 2.115 1.00 1.00 C ATOM 829 C PRO A 50 -5.379 14.650 3.174 1.00 1.00 C ATOM 830 O PRO A 50 -5.604 15.846 3.231 1.00 1.00 O ATOM 831 CB PRO A 50 -5.138 13.821 0.791 1.00 1.00 C ATOM 832 CG PRO A 50 -5.482 12.314 0.775 1.00 1.00 C ATOM 833 CD PRO A 50 -4.509 11.631 1.753 1.00 1.00 C ATOM 0 HA PRO A 50 -3.621 14.830 2.024 1.00 1.00 H new ATOM 0 HB2 PRO A 50 -6.041 14.426 0.715 1.00 1.00 H new ATOM 0 HB3 PRO A 50 -4.506 14.084 -0.057 1.00 1.00 H new ATOM 0 HG2 PRO A 50 -6.516 12.149 1.078 1.00 1.00 H new ATOM 0 HG3 PRO A 50 -5.375 11.903 -0.229 1.00 1.00 H new ATOM 0 HD2 PRO A 50 -5.031 10.944 2.419 1.00 1.00 H new ATOM 0 HD3 PRO A 50 -3.755 11.050 1.223 1.00 1.00 H new ATOM 841 N GLY A 51 -5.948 13.807 4.011 1.00 1.00 N ATOM 842 CA GLY A 51 -6.893 14.300 5.064 1.00 1.00 C ATOM 843 C GLY A 51 -8.307 13.735 4.836 1.00 1.00 C ATOM 844 O GLY A 51 -9.214 14.014 5.599 1.00 1.00 O ATOM 0 H GLY A 51 -5.796 12.798 4.008 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -6.533 14.005 6.050 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -6.925 15.389 5.049 1.00 1.00 H new ATOM 848 N ARG A 52 -8.503 12.949 3.798 1.00 1.00 N ATOM 849 CA ARG A 52 -9.855 12.369 3.522 1.00 1.00 C ATOM 850 C ARG A 52 -10.259 11.398 4.644 1.00 1.00 C ATOM 851 O ARG A 52 -11.424 11.285 4.974 1.00 1.00 O ATOM 852 CB ARG A 52 -9.827 11.624 2.183 1.00 1.00 C ATOM 853 CG ARG A 52 -10.152 12.600 1.047 1.00 1.00 C ATOM 854 CD ARG A 52 -9.057 12.529 -0.020 1.00 1.00 C ATOM 855 NE ARG A 52 -9.545 13.168 -1.275 1.00 1.00 N ATOM 856 CZ ARG A 52 -8.960 14.244 -1.733 1.00 1.00 C ATOM 857 NH1 ARG A 52 -9.293 15.418 -1.263 1.00 1.00 N ATOM 858 NH2 ARG A 52 -8.043 14.144 -2.660 1.00 1.00 N ATOM 0 H ARG A 52 -7.779 12.685 3.130 1.00 1.00 H new ATOM 0 HA ARG A 52 -10.585 13.178 3.477 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -8.845 11.178 2.024 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -10.550 10.808 2.194 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -11.119 12.353 0.608 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -10.229 13.615 1.437 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -8.158 13.034 0.332 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -8.786 11.490 -0.210 1.00 1.00 H new ATOM 0 HE ARG A 52 -10.336 12.765 -1.777 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -10.008 15.494 -0.540 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -8.837 16.258 -1.619 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -7.785 13.227 -3.025 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -7.586 14.983 -3.018 1.00 1.00 H new ATOM 872 N LEU A 53 -9.307 10.693 5.221 1.00 1.00 N ATOM 873 CA LEU A 53 -9.625 9.717 6.318 1.00 1.00 C ATOM 874 C LEU A 53 -10.424 10.403 7.437 1.00 1.00 C ATOM 875 O LEU A 53 -11.281 9.792 8.049 1.00 1.00 O ATOM 876 CB LEU A 53 -8.320 9.163 6.903 1.00 1.00 C ATOM 877 CG LEU A 53 -8.060 7.759 6.351 1.00 1.00 C ATOM 878 CD1 LEU A 53 -6.564 7.449 6.426 1.00 1.00 C ATOM 879 CD2 LEU A 53 -8.835 6.730 7.178 1.00 1.00 C ATOM 0 H LEU A 53 -8.319 10.753 4.977 1.00 1.00 H new ATOM 0 HA LEU A 53 -10.223 8.907 5.900 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -7.489 9.822 6.652 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -8.383 9.130 7.991 1.00 1.00 H new ATOM 0 HG LEU A 53 -8.390 7.713 5.313 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -6.379 6.449 6.033 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -6.011 8.179 5.835 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -6.234 7.497 7.464 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -8.649 5.731 6.783 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -8.508 6.777 8.217 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -9.902 6.948 7.124 1.00 1.00 H new ATOM 891 N LYS A 54 -10.146 11.660 7.711 1.00 1.00 N ATOM 892 CA LYS A 54 -10.880 12.394 8.794 1.00 1.00 C ATOM 893 C LYS A 54 -12.399 12.250 8.601 1.00 1.00 C ATOM 894 O LYS A 54 -13.121 11.970 9.540 1.00 1.00 O ATOM 895 CB LYS A 54 -10.500 13.879 8.753 1.00 1.00 C ATOM 896 CG LYS A 54 -9.804 14.271 10.060 1.00 1.00 C ATOM 897 CD LYS A 54 -8.514 15.036 9.749 1.00 1.00 C ATOM 898 CE LYS A 54 -8.232 16.046 10.865 1.00 1.00 C ATOM 899 NZ LYS A 54 -7.591 15.353 12.020 1.00 1.00 N ATOM 0 H LYS A 54 -9.437 12.211 7.227 1.00 1.00 H new ATOM 0 HA LYS A 54 -10.603 11.969 9.759 1.00 1.00 H new ATOM 0 HB2 LYS A 54 -9.841 14.072 7.907 1.00 1.00 H new ATOM 0 HB3 LYS A 54 -11.392 14.489 8.608 1.00 1.00 H new ATOM 0 HG2 LYS A 54 -10.467 14.889 10.665 1.00 1.00 H new ATOM 0 HG3 LYS A 54 -9.577 13.379 10.644 1.00 1.00 H new ATOM 0 HD2 LYS A 54 -7.680 14.340 9.656 1.00 1.00 H new ATOM 0 HD3 LYS A 54 -8.607 15.552 8.793 1.00 1.00 H new ATOM 0 HE2 LYS A 54 -7.580 16.838 10.496 1.00 1.00 H new ATOM 0 HE3 LYS A 54 -9.161 16.520 11.183 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 -7.889 15.808 12.907 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 -7.880 14.354 12.029 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 -6.557 15.414 11.931 1.00 1.00 H new ATOM 913 N ASN A 55 -12.883 12.443 7.394 1.00 1.00 N ATOM 914 CA ASN A 55 -14.355 12.322 7.136 1.00 1.00 C ATOM 915 C ASN A 55 -14.699 10.902 6.664 1.00 1.00 C ATOM 916 O ASN A 55 -15.768 10.392 6.952 1.00 1.00 O ATOM 917 CB ASN A 55 -14.775 13.339 6.064 1.00 1.00 C ATOM 918 CG ASN A 55 -13.975 13.119 4.774 1.00 1.00 C ATOM 919 OD1 ASN A 55 -12.904 13.670 4.610 1.00 1.00 O ATOM 920 ND2 ASN A 55 -14.453 12.336 3.845 1.00 1.00 N ATOM 0 H ASN A 55 -12.321 12.679 6.576 1.00 1.00 H new ATOM 0 HA ASN A 55 -14.893 12.524 8.062 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -15.841 13.241 5.859 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -14.613 14.352 6.432 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -13.928 12.187 2.983 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -15.352 11.873 3.981 1.00 1.00 H new ATOM 927 N ARG A 56 -13.809 10.269 5.934 1.00 1.00 N ATOM 928 CA ARG A 56 -14.080 8.886 5.426 1.00 1.00 C ATOM 929 C ARG A 56 -14.222 7.907 6.601 1.00 1.00 C ATOM 930 O ARG A 56 -15.279 7.340 6.811 1.00 1.00 O ATOM 931 CB ARG A 56 -12.928 8.439 4.516 1.00 1.00 C ATOM 932 CG ARG A 56 -13.470 7.524 3.413 1.00 1.00 C ATOM 933 CD ARG A 56 -13.343 8.220 2.055 1.00 1.00 C ATOM 934 NE ARG A 56 -14.334 9.332 1.964 1.00 1.00 N ATOM 935 CZ ARG A 56 -15.544 9.098 1.527 1.00 1.00 C ATOM 936 NH1 ARG A 56 -15.757 8.939 0.247 1.00 1.00 N ATOM 937 NH2 ARG A 56 -16.540 9.027 2.372 1.00 1.00 N ATOM 0 H ARG A 56 -12.903 10.654 5.668 1.00 1.00 H new ATOM 0 HA ARG A 56 -15.011 8.892 4.859 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -12.441 9.309 4.075 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -12.173 7.913 5.100 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -12.918 6.584 3.403 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -14.514 7.279 3.611 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -12.333 8.609 1.928 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -13.512 7.503 1.251 1.00 1.00 H new ATOM 0 HE ARG A 56 -14.067 10.276 2.243 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -14.979 8.997 -0.411 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -16.701 8.756 -0.094 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -16.372 9.154 3.370 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -17.485 8.845 2.033 1.00 1.00 H new ATOM 951 N ILE A 57 -13.170 7.704 7.365 1.00 1.00 N ATOM 952 CA ILE A 57 -13.247 6.759 8.525 1.00 1.00 C ATOM 953 C ILE A 57 -13.921 7.455 9.718 1.00 1.00 C ATOM 954 O ILE A 57 -14.047 8.668 9.750 1.00 1.00 O ATOM 955 CB ILE A 57 -11.830 6.297 8.904 1.00 1.00 C ATOM 956 CG1 ILE A 57 -11.898 4.898 9.526 1.00 1.00 C ATOM 957 CG2 ILE A 57 -11.190 7.271 9.902 1.00 1.00 C ATOM 958 CD1 ILE A 57 -10.910 3.971 8.813 1.00 1.00 C ATOM 0 H ILE A 57 -12.263 8.153 7.234 1.00 1.00 H new ATOM 0 HA ILE A 57 -13.841 5.888 8.249 1.00 1.00 H new ATOM 0 HB ILE A 57 -11.219 6.272 8.002 1.00 1.00 H new ATOM 0 HG12 ILE A 57 -11.662 4.950 10.589 1.00 1.00 H new ATOM 0 HG13 ILE A 57 -12.910 4.501 9.443 1.00 1.00 H new ATOM 0 HG21 ILE A 57 -10.188 6.925 10.157 1.00 1.00 H new ATOM 0 HG22 ILE A 57 -11.129 8.263 9.454 1.00 1.00 H new ATOM 0 HG23 ILE A 57 -11.798 7.318 10.805 1.00 1.00 H new ATOM 0 HD11 ILE A 57 -10.959 2.976 9.256 1.00 1.00 H new ATOM 0 HD12 ILE A 57 -11.167 3.910 7.755 1.00 1.00 H new ATOM 0 HD13 ILE A 57 -9.899 4.366 8.919 1.00 1.00 H new ATOM 970 N TRP A 58 -14.353 6.692 10.698 1.00 1.00 N ATOM 971 CA TRP A 58 -15.021 7.307 11.890 1.00 1.00 C ATOM 972 C TRP A 58 -15.295 6.256 12.978 1.00 1.00 C ATOM 973 O TRP A 58 -15.073 6.507 14.149 1.00 1.00 O ATOM 974 CB TRP A 58 -16.350 7.939 11.460 1.00 1.00 C ATOM 975 CG TRP A 58 -16.718 9.027 12.418 1.00 1.00 C ATOM 976 CD1 TRP A 58 -17.500 8.868 13.509 1.00 1.00 C ATOM 977 CD2 TRP A 58 -16.334 10.432 12.390 1.00 1.00 C ATOM 978 NE1 TRP A 58 -17.621 10.086 14.154 1.00 1.00 N ATOM 979 CE2 TRP A 58 -16.920 11.081 13.502 1.00 1.00 C ATOM 980 CE3 TRP A 58 -15.541 11.199 11.517 1.00 1.00 C ATOM 981 CZ2 TRP A 58 -16.727 12.442 13.739 1.00 1.00 C ATOM 982 CZ3 TRP A 58 -15.345 12.569 11.752 1.00 1.00 C ATOM 983 CH2 TRP A 58 -15.937 13.190 12.862 1.00 1.00 C ATOM 0 H TRP A 58 -14.272 5.676 10.723 1.00 1.00 H new ATOM 0 HA TRP A 58 -14.354 8.066 12.300 1.00 1.00 H new ATOM 0 HB2 TRP A 58 -16.264 8.342 10.451 1.00 1.00 H new ATOM 0 HB3 TRP A 58 -17.134 7.182 11.435 1.00 1.00 H new ATOM 0 HD1 TRP A 58 -17.956 7.942 13.826 1.00 1.00 H new ATOM 0 HE1 TRP A 58 -18.162 10.231 15.007 1.00 1.00 H new ATOM 0 HE3 TRP A 58 -15.080 10.731 10.660 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 -17.185 12.915 14.595 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 -14.735 13.148 11.075 1.00 1.00 H new ATOM 0 HH2 TRP A 58 -15.782 14.244 13.038 1.00 1.00 H new ATOM 994 N VAL A 59 -15.802 5.097 12.611 1.00 1.00 N ATOM 995 CA VAL A 59 -16.119 4.055 13.646 1.00 1.00 C ATOM 996 C VAL A 59 -15.201 2.831 13.508 1.00 1.00 C ATOM 997 O VAL A 59 -14.624 2.382 14.482 1.00 1.00 O ATOM 998 CB VAL A 59 -17.588 3.606 13.523 1.00 1.00 C ATOM 999 CG1 VAL A 59 -18.468 4.503 14.396 1.00 1.00 C ATOM 1000 CG2 VAL A 59 -18.064 3.699 12.066 1.00 1.00 C ATOM 0 H VAL A 59 -16.008 4.830 11.648 1.00 1.00 H new ATOM 0 HA VAL A 59 -15.954 4.505 14.625 1.00 1.00 H new ATOM 0 HB VAL A 59 -17.663 2.570 13.853 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -19.508 4.187 14.310 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -18.149 4.425 15.435 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -18.375 5.537 14.065 1.00 1.00 H new ATOM 0 HG21 VAL A 59 -19.103 3.377 12.002 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -17.981 4.730 11.721 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -17.446 3.056 11.440 1.00 1.00 H new ATOM 1010 N ARG A 60 -15.076 2.271 12.325 1.00 1.00 N ATOM 1011 CA ARG A 60 -14.212 1.059 12.155 1.00 1.00 C ATOM 1012 C ARG A 60 -12.923 1.412 11.404 1.00 1.00 C ATOM 1013 O ARG A 60 -12.887 2.328 10.602 1.00 1.00 O ATOM 1014 CB ARG A 60 -14.984 -0.008 11.373 1.00 1.00 C ATOM 1015 CG ARG A 60 -16.120 -0.556 12.242 1.00 1.00 C ATOM 1016 CD ARG A 60 -16.007 -2.079 12.343 1.00 1.00 C ATOM 1017 NE ARG A 60 -16.514 -2.532 13.672 1.00 1.00 N ATOM 1018 CZ ARG A 60 -17.800 -2.637 13.883 1.00 1.00 C ATOM 1019 NH1 ARG A 60 -18.421 -3.750 13.588 1.00 1.00 N ATOM 1020 NH2 ARG A 60 -18.465 -1.631 14.389 1.00 1.00 N ATOM 0 H ARG A 60 -15.533 2.600 11.475 1.00 1.00 H new ATOM 0 HA ARG A 60 -13.945 0.678 13.141 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -15.388 0.419 10.455 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -14.313 -0.816 11.080 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -16.076 -0.112 13.237 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -17.084 -0.281 11.813 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -16.580 -2.550 11.544 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -14.969 -2.386 12.215 1.00 1.00 H new ATOM 0 HE ARG A 60 -15.856 -2.760 14.417 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -17.902 -4.535 13.194 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -19.424 -3.833 13.752 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -17.980 -0.764 14.619 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -19.468 -1.714 14.553 1.00 1.00 H new ATOM 1034 N GLU A 61 -11.864 0.678 11.663 1.00 1.00 N ATOM 1035 CA GLU A 61 -10.558 0.939 10.981 1.00 1.00 C ATOM 1036 C GLU A 61 -10.089 -0.335 10.256 1.00 1.00 C ATOM 1037 O GLU A 61 -10.840 -1.284 10.106 1.00 1.00 O ATOM 1038 CB GLU A 61 -9.514 1.350 12.027 1.00 1.00 C ATOM 1039 CG GLU A 61 -9.985 2.613 12.759 1.00 1.00 C ATOM 1040 CD GLU A 61 -10.462 2.247 14.169 1.00 1.00 C ATOM 1041 OE1 GLU A 61 -9.618 1.986 15.013 1.00 1.00 O ATOM 1042 OE2 GLU A 61 -11.664 2.237 14.383 1.00 1.00 O ATOM 0 H GLU A 61 -11.851 -0.098 12.325 1.00 1.00 H new ATOM 0 HA GLU A 61 -10.681 1.741 10.253 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -9.361 0.540 12.740 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -8.554 1.534 11.544 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -9.171 3.336 12.816 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -10.794 3.087 12.203 1.00 1.00 H new ATOM 1049 N GLY A 62 -8.855 -0.358 9.799 1.00 1.00 N ATOM 1050 CA GLY A 62 -8.333 -1.560 9.080 1.00 1.00 C ATOM 1051 C GLY A 62 -8.570 -1.388 7.579 1.00 1.00 C ATOM 1052 O GLY A 62 -9.561 -1.851 7.044 1.00 1.00 O ATOM 0 H GLY A 62 -8.189 0.408 9.896 1.00 1.00 H new ATOM 0 HA2 GLY A 62 -7.269 -1.685 9.281 1.00 1.00 H new ATOM 0 HA3 GLY A 62 -8.833 -2.459 9.439 1.00 1.00 H new ATOM 1056 N ASP A 63 -7.671 -0.712 6.901 1.00 1.00 N ATOM 1057 CA ASP A 63 -7.844 -0.489 5.424 1.00 1.00 C ATOM 1058 C ASP A 63 -6.588 -0.941 4.671 1.00 1.00 C ATOM 1059 O ASP A 63 -5.534 -1.106 5.262 1.00 1.00 O ATOM 1060 CB ASP A 63 -8.087 1.001 5.160 1.00 1.00 C ATOM 1061 CG ASP A 63 -9.564 1.234 4.829 1.00 1.00 C ATOM 1062 OD1 ASP A 63 -10.350 1.343 5.756 1.00 1.00 O ATOM 1063 OD2 ASP A 63 -9.885 1.302 3.652 1.00 1.00 O ATOM 0 H ASP A 63 -6.827 -0.305 7.303 1.00 1.00 H new ATOM 0 HA ASP A 63 -8.697 -1.070 5.074 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -7.804 1.586 6.035 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -7.462 1.340 4.334 1.00 1.00 H new ATOM 1068 N VAL A 64 -6.674 -1.124 3.371 1.00 1.00 N ATOM 1069 CA VAL A 64 -5.455 -1.543 2.597 1.00 1.00 C ATOM 1070 C VAL A 64 -4.822 -0.284 2.006 1.00 1.00 C ATOM 1071 O VAL A 64 -5.512 0.597 1.520 1.00 1.00 O ATOM 1072 CB VAL A 64 -5.824 -2.529 1.473 1.00 1.00 C ATOM 1073 CG1 VAL A 64 -7.092 -2.065 0.756 1.00 1.00 C ATOM 1074 CG2 VAL A 64 -4.675 -2.608 0.460 1.00 1.00 C ATOM 0 H VAL A 64 -7.523 -1.004 2.818 1.00 1.00 H new ATOM 0 HA VAL A 64 -4.755 -2.052 3.259 1.00 1.00 H new ATOM 0 HB VAL A 64 -5.999 -3.511 1.913 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -7.341 -2.771 -0.036 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -7.915 -2.014 1.469 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -6.925 -1.079 0.323 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -4.938 -3.306 -0.335 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -4.499 -1.621 0.032 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -3.771 -2.953 0.962 1.00 1.00 H new ATOM 1084 N VAL A 65 -3.515 -0.174 2.074 1.00 1.00 N ATOM 1085 CA VAL A 65 -2.852 1.050 1.550 1.00 1.00 C ATOM 1086 C VAL A 65 -1.542 0.701 0.834 1.00 1.00 C ATOM 1087 O VAL A 65 -0.751 -0.095 1.311 1.00 1.00 O ATOM 1088 CB VAL A 65 -2.585 2.001 2.742 1.00 1.00 C ATOM 1089 CG1 VAL A 65 -1.126 1.918 3.209 1.00 1.00 C ATOM 1090 CG2 VAL A 65 -2.884 3.438 2.331 1.00 1.00 C ATOM 0 H VAL A 65 -2.888 -0.876 2.467 1.00 1.00 H new ATOM 0 HA VAL A 65 -3.499 1.536 0.820 1.00 1.00 H new ATOM 0 HB VAL A 65 -3.235 1.695 3.562 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -0.973 2.598 4.047 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -0.902 0.899 3.523 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -0.465 2.198 2.389 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -2.695 4.104 3.173 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.243 3.718 1.495 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -3.929 3.521 2.031 1.00 1.00 H new ATOM 1100 N ILE A 66 -1.282 1.347 -0.276 1.00 1.00 N ATOM 1101 CA ILE A 66 0.013 1.118 -0.992 1.00 1.00 C ATOM 1102 C ILE A 66 0.908 2.288 -0.578 1.00 1.00 C ATOM 1103 O ILE A 66 0.407 3.385 -0.342 1.00 1.00 O ATOM 1104 CB ILE A 66 -0.190 1.083 -2.518 1.00 1.00 C ATOM 1105 CG1 ILE A 66 -0.552 2.477 -3.041 1.00 1.00 C ATOM 1106 CG2 ILE A 66 -1.318 0.106 -2.859 1.00 1.00 C ATOM 1107 CD1 ILE A 66 0.674 3.109 -3.706 1.00 1.00 C ATOM 0 H ILE A 66 -1.908 2.021 -0.717 1.00 1.00 H new ATOM 0 HA ILE A 66 0.455 0.156 -0.732 1.00 1.00 H new ATOM 0 HB ILE A 66 0.738 0.758 -2.989 1.00 1.00 H new ATOM 0 HG12 ILE A 66 -1.371 2.407 -3.757 1.00 1.00 H new ATOM 0 HG13 ILE A 66 -0.898 3.106 -2.221 1.00 1.00 H new ATOM 0 HG21 ILE A 66 -1.463 0.080 -3.939 1.00 1.00 H new ATOM 0 HG22 ILE A 66 -1.056 -0.891 -2.504 1.00 1.00 H new ATOM 0 HG23 ILE A 66 -2.240 0.432 -2.377 1.00 1.00 H new ATOM 0 HD11 ILE A 66 0.416 4.101 -4.078 1.00 1.00 H new ATOM 0 HD12 ILE A 66 1.480 3.193 -2.977 1.00 1.00 H new ATOM 0 HD13 ILE A 66 1.000 2.484 -4.537 1.00 1.00 H new ATOM 1119 N VAL A 67 2.196 2.084 -0.395 1.00 1.00 N ATOM 1120 CA VAL A 67 3.014 3.229 0.109 1.00 1.00 C ATOM 1121 C VAL A 67 4.404 3.358 -0.536 1.00 1.00 C ATOM 1122 O VAL A 67 5.002 2.408 -1.036 1.00 1.00 O ATOM 1123 CB VAL A 67 3.181 3.091 1.642 1.00 1.00 C ATOM 1124 CG1 VAL A 67 2.193 2.060 2.203 1.00 1.00 C ATOM 1125 CG2 VAL A 67 4.603 2.636 1.986 1.00 1.00 C ATOM 0 H VAL A 67 2.696 1.211 -0.565 1.00 1.00 H new ATOM 0 HA VAL A 67 2.470 4.133 -0.165 1.00 1.00 H new ATOM 0 HB VAL A 67 2.985 4.067 2.086 1.00 1.00 H new ATOM 0 HG11 VAL A 67 2.326 1.978 3.282 1.00 1.00 H new ATOM 0 HG12 VAL A 67 1.173 2.378 1.987 1.00 1.00 H new ATOM 0 HG13 VAL A 67 2.377 1.091 1.740 1.00 1.00 H new ATOM 0 HG21 VAL A 67 4.704 2.544 3.067 1.00 1.00 H new ATOM 0 HG22 VAL A 67 4.799 1.670 1.520 1.00 1.00 H new ATOM 0 HG23 VAL A 67 5.319 3.370 1.616 1.00 1.00 H new ATOM 1135 N LYS A 68 4.922 4.565 -0.420 1.00 1.00 N ATOM 1136 CA LYS A 68 6.284 4.915 -0.896 1.00 1.00 C ATOM 1137 C LYS A 68 7.210 4.886 0.328 1.00 1.00 C ATOM 1138 O LYS A 68 6.740 5.115 1.429 1.00 1.00 O ATOM 1139 CB LYS A 68 6.269 6.322 -1.507 1.00 1.00 C ATOM 1140 CG LYS A 68 6.711 6.258 -2.973 1.00 1.00 C ATOM 1141 CD LYS A 68 6.634 7.658 -3.595 1.00 1.00 C ATOM 1142 CE LYS A 68 7.665 8.583 -2.937 1.00 1.00 C ATOM 1143 NZ LYS A 68 9.042 8.064 -3.182 1.00 1.00 N ATOM 0 H LYS A 68 4.424 5.347 0.006 1.00 1.00 H new ATOM 0 HA LYS A 68 6.627 4.214 -1.657 1.00 1.00 H new ATOM 0 HB2 LYS A 68 5.268 6.747 -1.438 1.00 1.00 H new ATOM 0 HB3 LYS A 68 6.934 6.979 -0.946 1.00 1.00 H new ATOM 0 HG2 LYS A 68 7.729 5.875 -3.040 1.00 1.00 H new ATOM 0 HG3 LYS A 68 6.074 5.568 -3.526 1.00 1.00 H new ATOM 0 HD2 LYS A 68 6.819 7.599 -4.668 1.00 1.00 H new ATOM 0 HD3 LYS A 68 5.632 8.067 -3.466 1.00 1.00 H new ATOM 0 HE2 LYS A 68 7.570 9.592 -3.339 1.00 1.00 H new ATOM 0 HE3 LYS A 68 7.477 8.648 -1.865 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 9.728 8.839 -3.079 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 9.259 7.316 -2.493 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 9.100 7.676 -4.145 1.00 1.00 H new ATOM 1157 N PRO A 69 8.479 4.597 0.118 1.00 1.00 N ATOM 1158 CA PRO A 69 9.464 4.503 1.219 1.00 1.00 C ATOM 1159 C PRO A 69 10.142 5.852 1.506 1.00 1.00 C ATOM 1160 O PRO A 69 10.435 6.629 0.613 1.00 1.00 O ATOM 1161 CB PRO A 69 10.501 3.533 0.659 1.00 1.00 C ATOM 1162 CG PRO A 69 10.387 3.608 -0.890 1.00 1.00 C ATOM 1163 CD PRO A 69 9.042 4.293 -1.211 1.00 1.00 C ATOM 0 HA PRO A 69 9.002 4.193 2.156 1.00 1.00 H new ATOM 0 HB2 PRO A 69 11.504 3.806 0.988 1.00 1.00 H new ATOM 0 HB3 PRO A 69 10.314 2.519 1.013 1.00 1.00 H new ATOM 0 HG2 PRO A 69 11.218 4.174 -1.311 1.00 1.00 H new ATOM 0 HG3 PRO A 69 10.426 2.611 -1.328 1.00 1.00 H new ATOM 0 HD2 PRO A 69 9.184 5.198 -1.802 1.00 1.00 H new ATOM 0 HD3 PRO A 69 8.386 3.638 -1.784 1.00 1.00 H new ATOM 1171 N TRP A 70 10.360 6.124 2.773 1.00 1.00 N ATOM 1172 CA TRP A 70 10.982 7.410 3.215 1.00 1.00 C ATOM 1173 C TRP A 70 12.244 7.079 4.003 1.00 1.00 C ATOM 1174 O TRP A 70 12.141 6.440 5.055 1.00 1.00 O ATOM 1175 CB TRP A 70 10.088 8.162 4.195 1.00 1.00 C ATOM 1176 CG TRP A 70 8.995 8.745 3.477 1.00 1.00 C ATOM 1177 CD1 TRP A 70 8.336 8.112 2.524 1.00 1.00 C ATOM 1178 CD2 TRP A 70 8.397 10.043 3.635 1.00 1.00 C ATOM 1179 NE1 TRP A 70 7.374 8.913 2.071 1.00 1.00 N ATOM 1180 CE2 TRP A 70 7.355 10.127 2.718 1.00 1.00 C ATOM 1181 CE3 TRP A 70 8.651 11.145 4.472 1.00 1.00 C ATOM 1182 CZ2 TRP A 70 6.575 11.250 2.613 1.00 1.00 C ATOM 1183 CZ3 TRP A 70 7.861 12.298 4.372 1.00 1.00 C ATOM 1184 CH2 TRP A 70 6.817 12.350 3.440 1.00 1.00 C ATOM 0 H TRP A 70 10.125 5.489 3.536 1.00 1.00 H new ATOM 0 HA TRP A 70 11.162 8.012 2.324 1.00 1.00 H new ATOM 0 HB2 TRP A 70 9.715 7.483 4.962 1.00 1.00 H new ATOM 0 HB3 TRP A 70 10.659 8.937 4.706 1.00 1.00 H new ATOM 0 HD1 TRP A 70 8.543 7.112 2.171 1.00 1.00 H new ATOM 0 HE1 TRP A 70 6.724 8.656 1.328 1.00 1.00 H new ATOM 0 HE3 TRP A 70 9.455 11.102 5.192 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 5.773 11.284 1.891 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 8.057 13.145 5.013 1.00 1.00 H new ATOM 0 HH2 TRP A 70 6.203 13.235 3.361 1.00 1.00 H new ATOM 1195 N GLU A 71 13.399 7.506 3.553 1.00 1.00 N ATOM 1196 CA GLU A 71 14.661 7.212 4.310 1.00 1.00 C ATOM 1197 C GLU A 71 14.650 7.937 5.663 1.00 1.00 C ATOM 1198 O GLU A 71 14.338 9.111 5.750 1.00 1.00 O ATOM 1199 CB GLU A 71 15.890 7.655 3.504 1.00 1.00 C ATOM 1200 CG GLU A 71 15.701 9.082 2.970 1.00 1.00 C ATOM 1201 CD GLU A 71 15.488 9.045 1.452 1.00 1.00 C ATOM 1202 OE1 GLU A 71 16.475 9.015 0.735 1.00 1.00 O ATOM 1203 OE2 GLU A 71 14.341 9.049 1.034 1.00 1.00 O ATOM 0 H GLU A 71 13.525 8.045 2.696 1.00 1.00 H new ATOM 0 HA GLU A 71 14.714 6.136 4.477 1.00 1.00 H new ATOM 0 HB2 GLU A 71 16.779 7.611 4.133 1.00 1.00 H new ATOM 0 HB3 GLU A 71 16.053 6.969 2.673 1.00 1.00 H new ATOM 0 HG2 GLU A 71 14.845 9.551 3.455 1.00 1.00 H new ATOM 0 HG3 GLU A 71 16.575 9.688 3.209 1.00 1.00 H new ATOM 1210 N VAL A 72 14.996 7.226 6.712 1.00 1.00 N ATOM 1211 CA VAL A 72 15.027 7.826 8.091 1.00 1.00 C ATOM 1212 C VAL A 72 15.335 6.719 9.117 1.00 1.00 C ATOM 1213 O VAL A 72 14.490 5.901 9.447 1.00 1.00 O ATOM 1214 CB VAL A 72 13.675 8.504 8.414 1.00 1.00 C ATOM 1215 CG1 VAL A 72 12.512 7.645 7.907 1.00 1.00 C ATOM 1216 CG2 VAL A 72 13.536 8.706 9.929 1.00 1.00 C ATOM 0 H VAL A 72 15.262 6.242 6.673 1.00 1.00 H new ATOM 0 HA VAL A 72 15.806 8.587 8.138 1.00 1.00 H new ATOM 0 HB VAL A 72 13.648 9.472 7.914 1.00 1.00 H new ATOM 0 HG11 VAL A 72 11.568 8.136 8.142 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.597 7.519 6.828 1.00 1.00 H new ATOM 0 HG13 VAL A 72 12.543 6.668 8.390 1.00 1.00 H new ATOM 0 HG21 VAL A 72 12.581 9.184 10.146 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.580 7.739 10.431 1.00 1.00 H new ATOM 0 HG23 VAL A 72 14.348 9.338 10.288 1.00 1.00 H new ATOM 1226 N GLN A 73 16.549 6.688 9.615 1.00 1.00 N ATOM 1227 CA GLN A 73 16.940 5.638 10.612 1.00 1.00 C ATOM 1228 C GLN A 73 16.009 5.683 11.832 1.00 1.00 C ATOM 1229 O GLN A 73 15.574 6.738 12.260 1.00 1.00 O ATOM 1230 CB GLN A 73 18.389 5.864 11.062 1.00 1.00 C ATOM 1231 CG GLN A 73 18.552 7.276 11.638 1.00 1.00 C ATOM 1232 CD GLN A 73 19.886 7.868 11.173 1.00 1.00 C ATOM 1233 OE1 GLN A 73 20.902 7.685 11.816 1.00 1.00 O ATOM 1234 NE2 GLN A 73 19.928 8.575 10.076 1.00 1.00 N ATOM 0 H GLN A 73 17.289 7.347 9.373 1.00 1.00 H new ATOM 0 HA GLN A 73 16.854 4.659 10.140 1.00 1.00 H new ATOM 0 HB2 GLN A 73 18.664 5.123 11.813 1.00 1.00 H new ATOM 0 HB3 GLN A 73 19.065 5.728 10.218 1.00 1.00 H new ATOM 0 HG2 GLN A 73 17.728 7.910 11.312 1.00 1.00 H new ATOM 0 HG3 GLN A 73 18.517 7.242 12.727 1.00 1.00 H new ATOM 0 HE21 GLN A 73 19.077 8.729 9.536 1.00 1.00 H new ATOM 0 HE22 GLN A 73 20.812 8.973 9.759 1.00 1.00 H new ATOM 1243 N GLY A 74 15.707 4.534 12.390 1.00 1.00 N ATOM 1244 CA GLY A 74 14.807 4.475 13.585 1.00 1.00 C ATOM 1245 C GLY A 74 13.396 4.043 13.162 1.00 1.00 C ATOM 1246 O GLY A 74 12.749 3.271 13.847 1.00 1.00 O ATOM 0 H GLY A 74 16.048 3.629 12.066 1.00 1.00 H new ATOM 0 HA2 GLY A 74 15.207 3.773 14.317 1.00 1.00 H new ATOM 0 HA3 GLY A 74 14.767 5.451 14.069 1.00 1.00 H new ATOM 1250 N ASP A 75 12.917 4.535 12.041 1.00 1.00 N ATOM 1251 CA ASP A 75 11.546 4.163 11.560 1.00 1.00 C ATOM 1252 C ASP A 75 11.377 4.681 10.135 1.00 1.00 C ATOM 1253 O ASP A 75 11.978 5.670 9.768 1.00 1.00 O ATOM 1254 CB ASP A 75 10.480 4.798 12.463 1.00 1.00 C ATOM 1255 CG ASP A 75 10.706 6.314 12.571 1.00 1.00 C ATOM 1256 OD1 ASP A 75 11.437 6.725 13.460 1.00 1.00 O ATOM 1257 OD2 ASP A 75 10.142 7.040 11.765 1.00 1.00 O ATOM 0 H ASP A 75 13.421 5.183 11.435 1.00 1.00 H new ATOM 0 HA ASP A 75 11.428 3.080 11.587 1.00 1.00 H new ATOM 0 HB2 ASP A 75 9.487 4.599 12.060 1.00 1.00 H new ATOM 0 HB3 ASP A 75 10.518 4.346 13.454 1.00 1.00 H new ATOM 1262 N GLN A 76 10.572 4.038 9.322 1.00 1.00 N ATOM 1263 CA GLN A 76 10.416 4.540 7.926 1.00 1.00 C ATOM 1264 C GLN A 76 9.162 5.393 7.796 1.00 1.00 C ATOM 1265 O GLN A 76 8.204 5.245 8.534 1.00 1.00 O ATOM 1266 CB GLN A 76 10.326 3.362 6.956 1.00 1.00 C ATOM 1267 CG GLN A 76 11.647 3.213 6.193 1.00 1.00 C ATOM 1268 CD GLN A 76 12.821 3.199 7.178 1.00 1.00 C ATOM 1269 OE1 GLN A 76 12.957 2.288 7.972 1.00 1.00 O ATOM 1270 NE2 GLN A 76 13.680 4.181 7.160 1.00 1.00 N ATOM 0 H GLN A 76 10.030 3.207 9.559 1.00 1.00 H new ATOM 0 HA GLN A 76 11.286 5.151 7.685 1.00 1.00 H new ATOM 0 HB2 GLN A 76 10.106 2.445 7.503 1.00 1.00 H new ATOM 0 HB3 GLN A 76 9.506 3.519 6.255 1.00 1.00 H new ATOM 0 HG2 GLN A 76 11.639 2.291 5.611 1.00 1.00 H new ATOM 0 HG3 GLN A 76 11.764 4.035 5.487 1.00 1.00 H new ATOM 0 HE21 GLN A 76 13.567 4.946 6.494 1.00 1.00 H new ATOM 0 HE22 GLN A 76 14.465 4.184 7.812 1.00 1.00 H new ATOM 1279 N LYS A 77 9.161 6.263 6.825 1.00 1.00 N ATOM 1280 CA LYS A 77 7.950 7.123 6.579 1.00 1.00 C ATOM 1281 C LYS A 77 7.366 6.702 5.243 1.00 1.00 C ATOM 1282 O LYS A 77 8.068 6.148 4.427 1.00 1.00 O ATOM 1283 CB LYS A 77 8.341 8.606 6.570 1.00 1.00 C ATOM 1284 CG LYS A 77 8.033 9.222 7.939 1.00 1.00 C ATOM 1285 CD LYS A 77 9.125 10.229 8.314 1.00 1.00 C ATOM 1286 CE LYS A 77 9.065 10.517 9.818 1.00 1.00 C ATOM 1287 NZ LYS A 77 8.017 11.542 10.094 1.00 1.00 N ATOM 0 H LYS A 77 9.941 6.422 6.187 1.00 1.00 H new ATOM 0 HA LYS A 77 7.212 6.993 7.370 1.00 1.00 H new ATOM 0 HB2 LYS A 77 9.401 8.712 6.341 1.00 1.00 H new ATOM 0 HB3 LYS A 77 7.792 9.133 5.790 1.00 1.00 H new ATOM 0 HG2 LYS A 77 7.062 9.717 7.915 1.00 1.00 H new ATOM 0 HG3 LYS A 77 7.973 8.439 8.695 1.00 1.00 H new ATOM 0 HD2 LYS A 77 10.105 9.833 8.048 1.00 1.00 H new ATOM 0 HD3 LYS A 77 8.991 11.153 7.751 1.00 1.00 H new ATOM 0 HE2 LYS A 77 8.843 9.600 10.365 1.00 1.00 H new ATOM 0 HE3 LYS A 77 10.034 10.871 10.169 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 7.980 11.734 11.115 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 8.247 12.419 9.585 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 7.093 11.188 9.775 1.00 1.00 H new ATOM 1301 N CYS A 78 6.108 6.891 4.993 1.00 1.00 N ATOM 1302 CA CYS A 78 5.584 6.437 3.673 1.00 1.00 C ATOM 1303 C CYS A 78 4.501 7.366 3.146 1.00 1.00 C ATOM 1304 O CYS A 78 3.768 7.978 3.903 1.00 1.00 O ATOM 1305 CB CYS A 78 5.023 5.019 3.805 1.00 1.00 C ATOM 1306 SG CYS A 78 3.843 4.936 5.172 1.00 1.00 S ATOM 0 H CYS A 78 5.432 7.326 5.621 1.00 1.00 H new ATOM 0 HA CYS A 78 6.410 6.450 2.962 1.00 1.00 H new ATOM 0 HB2 CYS A 78 4.535 4.726 2.876 1.00 1.00 H new ATOM 0 HB3 CYS A 78 5.836 4.313 3.974 1.00 1.00 H new ATOM 0 HG CYS A 78 3.075 3.898 5.020 1.00 1.00 H new ATOM 1312 N ASP A 79 4.344 7.413 1.844 1.00 1.00 N ATOM 1313 CA ASP A 79 3.230 8.239 1.264 1.00 1.00 C ATOM 1314 C ASP A 79 2.138 7.221 0.965 1.00 1.00 C ATOM 1315 O ASP A 79 2.385 6.259 0.256 1.00 1.00 O ATOM 1316 CB ASP A 79 3.696 8.946 -0.020 1.00 1.00 C ATOM 1317 CG ASP A 79 2.488 9.332 -0.886 1.00 1.00 C ATOM 1318 OD1 ASP A 79 1.913 10.379 -0.638 1.00 1.00 O ATOM 1319 OD2 ASP A 79 2.160 8.572 -1.785 1.00 1.00 O ATOM 0 H ASP A 79 4.927 6.924 1.165 1.00 1.00 H new ATOM 0 HA ASP A 79 2.890 9.028 1.935 1.00 1.00 H new ATOM 0 HB2 ASP A 79 4.268 9.838 0.235 1.00 1.00 H new ATOM 0 HB3 ASP A 79 4.361 8.291 -0.583 1.00 1.00 H new ATOM 1324 N ILE A 80 0.978 7.338 1.554 1.00 1.00 N ATOM 1325 CA ILE A 80 -0.023 6.249 1.336 1.00 1.00 C ATOM 1326 C ILE A 80 -1.339 6.688 0.712 1.00 1.00 C ATOM 1327 O ILE A 80 -1.845 7.774 0.933 1.00 1.00 O ATOM 1328 CB ILE A 80 -0.345 5.579 2.676 1.00 1.00 C ATOM 1329 CG1 ILE A 80 -0.434 6.632 3.789 1.00 1.00 C ATOM 1330 CG2 ILE A 80 0.748 4.573 3.007 1.00 1.00 C ATOM 1331 CD1 ILE A 80 -1.303 6.104 4.931 1.00 1.00 C ATOM 0 H ILE A 80 0.685 8.108 2.155 1.00 1.00 H new ATOM 0 HA ILE A 80 0.450 5.573 0.624 1.00 1.00 H new ATOM 0 HB ILE A 80 -1.305 5.069 2.601 1.00 1.00 H new ATOM 0 HG12 ILE A 80 0.564 6.870 4.158 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -0.857 7.556 3.395 1.00 1.00 H new ATOM 0 HG21 ILE A 80 0.524 4.093 3.960 1.00 1.00 H new ATOM 0 HG22 ILE A 80 0.797 3.818 2.223 1.00 1.00 H new ATOM 0 HG23 ILE A 80 1.707 5.087 3.076 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -1.364 6.855 5.719 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -2.304 5.889 4.557 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -0.862 5.192 5.332 1.00 1.00 H new ATOM 1343 N ILE A 81 -1.922 5.755 0.000 1.00 1.00 N ATOM 1344 CA ILE A 81 -3.270 5.948 -0.609 1.00 1.00 C ATOM 1345 C ILE A 81 -4.104 4.755 -0.125 1.00 1.00 C ATOM 1346 O ILE A 81 -3.740 3.604 -0.344 1.00 1.00 O ATOM 1347 CB ILE A 81 -3.199 5.986 -2.146 1.00 1.00 C ATOM 1348 CG1 ILE A 81 -2.304 4.860 -2.666 1.00 1.00 C ATOM 1349 CG2 ILE A 81 -2.628 7.334 -2.597 1.00 1.00 C ATOM 1350 CD1 ILE A 81 -2.690 4.520 -4.109 1.00 1.00 C ATOM 0 H ILE A 81 -1.505 4.843 -0.188 1.00 1.00 H new ATOM 0 HA ILE A 81 -3.708 6.901 -0.312 1.00 1.00 H new ATOM 0 HB ILE A 81 -4.204 5.855 -2.547 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -1.258 5.163 -2.621 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -2.408 3.978 -2.034 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -2.577 7.362 -3.685 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -3.272 8.139 -2.243 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -1.627 7.462 -2.184 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -2.051 3.717 -4.477 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -3.731 4.198 -4.141 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -2.563 5.402 -4.737 1.00 1.00 H new ATOM 1362 N TRP A 82 -5.170 5.014 0.596 1.00 1.00 N ATOM 1363 CA TRP A 82 -5.985 3.892 1.181 1.00 1.00 C ATOM 1364 C TRP A 82 -7.306 3.673 0.444 1.00 1.00 C ATOM 1365 O TRP A 82 -7.811 4.538 -0.252 1.00 1.00 O ATOM 1366 CB TRP A 82 -6.289 4.172 2.663 1.00 1.00 C ATOM 1367 CG TRP A 82 -6.537 5.629 2.869 1.00 1.00 C ATOM 1368 CD1 TRP A 82 -5.580 6.536 3.155 1.00 1.00 C ATOM 1369 CD2 TRP A 82 -7.792 6.362 2.797 1.00 1.00 C ATOM 1370 NE1 TRP A 82 -6.165 7.785 3.260 1.00 1.00 N ATOM 1371 CE2 TRP A 82 -7.529 7.728 3.051 1.00 1.00 C ATOM 1372 CE3 TRP A 82 -9.121 5.978 2.541 1.00 1.00 C ATOM 1373 CZ2 TRP A 82 -8.546 8.679 3.050 1.00 1.00 C ATOM 1374 CZ3 TRP A 82 -10.148 6.934 2.539 1.00 1.00 C ATOM 1375 CH2 TRP A 82 -9.860 8.283 2.793 1.00 1.00 C ATOM 0 H TRP A 82 -5.513 5.951 0.806 1.00 1.00 H new ATOM 0 HA TRP A 82 -5.385 2.988 1.075 1.00 1.00 H new ATOM 0 HB2 TRP A 82 -7.161 3.599 2.978 1.00 1.00 H new ATOM 0 HB3 TRP A 82 -5.453 3.846 3.282 1.00 1.00 H new ATOM 0 HD1 TRP A 82 -4.529 6.322 3.281 1.00 1.00 H new ATOM 0 HE1 TRP A 82 -5.652 8.642 3.466 1.00 1.00 H new ATOM 0 HE3 TRP A 82 -9.352 4.941 2.345 1.00 1.00 H new ATOM 0 HZ2 TRP A 82 -8.320 9.717 3.247 1.00 1.00 H new ATOM 0 HZ3 TRP A 82 -11.165 6.630 2.341 1.00 1.00 H new ATOM 0 HH2 TRP A 82 -10.654 9.015 2.790 1.00 1.00 H new ATOM 1386 N ARG A 83 -7.864 2.497 0.627 1.00 1.00 N ATOM 1387 CA ARG A 83 -9.164 2.128 -0.009 1.00 1.00 C ATOM 1388 C ARG A 83 -9.521 0.687 0.397 1.00 1.00 C ATOM 1389 O ARG A 83 -8.823 0.069 1.184 1.00 1.00 O ATOM 1390 CB ARG A 83 -9.039 2.216 -1.535 1.00 1.00 C ATOM 1391 CG ARG A 83 -10.131 3.133 -2.087 1.00 1.00 C ATOM 1392 CD ARG A 83 -9.936 3.314 -3.592 1.00 1.00 C ATOM 1393 NE ARG A 83 -10.828 4.402 -4.084 1.00 1.00 N ATOM 1394 CZ ARG A 83 -12.066 4.136 -4.407 1.00 1.00 C ATOM 1395 NH1 ARG A 83 -12.998 4.151 -3.489 1.00 1.00 N ATOM 1396 NH2 ARG A 83 -12.370 3.853 -5.647 1.00 1.00 N ATOM 0 H ARG A 83 -7.459 1.762 1.206 1.00 1.00 H new ATOM 0 HA ARG A 83 -9.945 2.813 0.322 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -8.056 2.599 -1.808 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -9.127 1.223 -1.975 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -11.114 2.707 -1.886 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -10.095 4.101 -1.586 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -8.896 3.557 -3.808 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -10.160 2.383 -4.113 1.00 1.00 H new ATOM 0 HE ARG A 83 -10.472 5.354 -4.169 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -12.758 4.370 -2.522 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -13.965 3.944 -3.740 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -11.641 3.840 -6.361 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -13.336 3.645 -5.901 1.00 1.00 H new ATOM 1410 N TYR A 84 -10.599 0.155 -0.144 1.00 1.00 N ATOM 1411 CA TYR A 84 -11.029 -1.246 0.173 1.00 1.00 C ATOM 1412 C TYR A 84 -10.927 -1.519 1.684 1.00 1.00 C ATOM 1413 O TYR A 84 -9.947 -2.062 2.166 1.00 1.00 O ATOM 1414 CB TYR A 84 -10.145 -2.230 -0.599 1.00 1.00 C ATOM 1415 CG TYR A 84 -10.775 -2.537 -1.938 1.00 1.00 C ATOM 1416 CD1 TYR A 84 -10.713 -1.597 -2.975 1.00 1.00 C ATOM 1417 CD2 TYR A 84 -11.421 -3.763 -2.143 1.00 1.00 C ATOM 1418 CE1 TYR A 84 -11.298 -1.882 -4.214 1.00 1.00 C ATOM 1419 CE2 TYR A 84 -12.006 -4.048 -3.383 1.00 1.00 C ATOM 1420 CZ TYR A 84 -11.944 -3.107 -4.419 1.00 1.00 C ATOM 1421 OH TYR A 84 -12.521 -3.388 -5.641 1.00 1.00 O ATOM 0 H TYR A 84 -11.206 0.644 -0.802 1.00 1.00 H new ATOM 0 HA TYR A 84 -12.070 -1.374 -0.125 1.00 1.00 H new ATOM 0 HB2 TYR A 84 -9.151 -1.806 -0.742 1.00 1.00 H new ATOM 0 HB3 TYR A 84 -10.020 -3.149 -0.026 1.00 1.00 H new ATOM 0 HD1 TYR A 84 -10.214 -0.652 -2.818 1.00 1.00 H new ATOM 0 HD2 TYR A 84 -11.468 -4.489 -1.344 1.00 1.00 H new ATOM 0 HE1 TYR A 84 -11.251 -1.156 -5.013 1.00 1.00 H new ATOM 0 HE2 TYR A 84 -12.505 -4.993 -3.541 1.00 1.00 H new ATOM 0 HH TYR A 84 -12.926 -4.280 -5.614 1.00 1.00 H new ATOM 1431 N THR A 85 -11.941 -1.152 2.431 1.00 1.00 N ATOM 1432 CA THR A 85 -11.920 -1.387 3.909 1.00 1.00 C ATOM 1433 C THR A 85 -11.814 -2.895 4.210 1.00 1.00 C ATOM 1434 O THR A 85 -11.386 -3.283 5.283 1.00 1.00 O ATOM 1435 CB THR A 85 -13.200 -0.814 4.539 1.00 1.00 C ATOM 1436 OG1 THR A 85 -13.065 -0.800 5.953 1.00 1.00 O ATOM 1437 CG2 THR A 85 -14.411 -1.668 4.147 1.00 1.00 C ATOM 0 H THR A 85 -12.784 -0.699 2.079 1.00 1.00 H new ATOM 0 HA THR A 85 -11.051 -0.886 4.336 1.00 1.00 H new ATOM 0 HB THR A 85 -13.352 0.202 4.175 1.00 1.00 H new ATOM 0 HG1 THR A 85 -13.880 -0.433 6.356 1.00 1.00 H new ATOM 0 HG21 THR A 85 -15.311 -1.252 4.599 1.00 1.00 H new ATOM 0 HG22 THR A 85 -14.518 -1.671 3.062 1.00 1.00 H new ATOM 0 HG23 THR A 85 -14.266 -2.689 4.500 1.00 1.00 H new ATOM 1445 N LYS A 86 -12.204 -3.743 3.280 1.00 1.00 N ATOM 1446 CA LYS A 86 -12.128 -5.216 3.522 1.00 1.00 C ATOM 1447 C LYS A 86 -10.689 -5.718 3.293 1.00 1.00 C ATOM 1448 O LYS A 86 -9.954 -5.927 4.240 1.00 1.00 O ATOM 1449 CB LYS A 86 -13.098 -5.941 2.581 1.00 1.00 C ATOM 1450 CG LYS A 86 -13.215 -7.411 2.998 1.00 1.00 C ATOM 1451 CD LYS A 86 -14.300 -8.096 2.162 1.00 1.00 C ATOM 1452 CE LYS A 86 -13.701 -9.298 1.426 1.00 1.00 C ATOM 1453 NZ LYS A 86 -14.219 -9.335 0.027 1.00 1.00 N ATOM 0 H LYS A 86 -12.570 -3.474 2.367 1.00 1.00 H new ATOM 0 HA LYS A 86 -12.408 -5.425 4.555 1.00 1.00 H new ATOM 0 HB2 LYS A 86 -14.078 -5.464 2.614 1.00 1.00 H new ATOM 0 HB3 LYS A 86 -12.744 -5.871 1.553 1.00 1.00 H new ATOM 0 HG2 LYS A 86 -12.260 -7.917 2.858 1.00 1.00 H new ATOM 0 HG3 LYS A 86 -13.460 -7.481 4.058 1.00 1.00 H new ATOM 0 HD2 LYS A 86 -15.117 -8.422 2.805 1.00 1.00 H new ATOM 0 HD3 LYS A 86 -14.720 -7.391 1.445 1.00 1.00 H new ATOM 0 HE2 LYS A 86 -12.613 -9.229 1.420 1.00 1.00 H new ATOM 0 HE3 LYS A 86 -13.959 -10.221 1.945 1.00 1.00 H new ATOM 0 HZ1 LYS A 86 -13.812 -10.151 -0.472 1.00 1.00 H new ATOM 0 HZ2 LYS A 86 -15.255 -9.420 0.043 1.00 1.00 H new ATOM 0 HZ3 LYS A 86 -13.951 -8.459 -0.466 1.00 1.00 H new ATOM 1467 N THR A 87 -10.286 -5.920 2.052 1.00 1.00 N ATOM 1468 CA THR A 87 -8.895 -6.422 1.778 1.00 1.00 C ATOM 1469 C THR A 87 -8.445 -6.035 0.359 1.00 1.00 C ATOM 1470 O THR A 87 -9.242 -5.641 -0.475 1.00 1.00 O ATOM 1471 CB THR A 87 -8.857 -7.956 1.910 1.00 1.00 C ATOM 1472 OG1 THR A 87 -10.080 -8.515 1.440 1.00 1.00 O ATOM 1473 CG2 THR A 87 -8.647 -8.344 3.376 1.00 1.00 C ATOM 0 H THR A 87 -10.858 -5.759 1.223 1.00 1.00 H new ATOM 0 HA THR A 87 -8.221 -5.967 2.504 1.00 1.00 H new ATOM 0 HB THR A 87 -8.033 -8.343 1.311 1.00 1.00 H new ATOM 0 HG1 THR A 87 -10.048 -9.491 1.525 1.00 1.00 H new ATOM 0 HG21 THR A 87 -8.621 -9.430 3.465 1.00 1.00 H new ATOM 0 HG22 THR A 87 -7.704 -7.928 3.731 1.00 1.00 H new ATOM 0 HG23 THR A 87 -9.466 -7.951 3.977 1.00 1.00 H new ATOM 1481 N GLN A 88 -7.160 -6.165 0.089 1.00 1.00 N ATOM 1482 CA GLN A 88 -6.604 -5.828 -1.269 1.00 1.00 C ATOM 1483 C GLN A 88 -5.074 -6.029 -1.287 1.00 1.00 C ATOM 1484 O GLN A 88 -4.500 -6.325 -2.321 1.00 1.00 O ATOM 1485 CB GLN A 88 -6.919 -4.369 -1.623 1.00 1.00 C ATOM 1486 CG GLN A 88 -6.712 -4.142 -3.124 1.00 1.00 C ATOM 1487 CD GLN A 88 -7.909 -4.696 -3.902 1.00 1.00 C ATOM 1488 OE1 GLN A 88 -8.864 -3.987 -4.155 1.00 1.00 O ATOM 1489 NE2 GLN A 88 -7.900 -5.940 -4.299 1.00 1.00 N ATOM 0 H GLN A 88 -6.466 -6.494 0.760 1.00 1.00 H new ATOM 0 HA GLN A 88 -7.066 -6.490 -2.001 1.00 1.00 H new ATOM 0 HB2 GLN A 88 -7.947 -4.133 -1.349 1.00 1.00 H new ATOM 0 HB3 GLN A 88 -6.275 -3.700 -1.053 1.00 1.00 H new ATOM 0 HG2 GLN A 88 -6.595 -3.078 -3.328 1.00 1.00 H new ATOM 0 HG3 GLN A 88 -5.795 -4.632 -3.452 1.00 1.00 H new ATOM 0 HE21 GLN A 88 -7.100 -6.537 -4.088 1.00 1.00 H new ATOM 0 HE22 GLN A 88 -8.693 -6.315 -4.820 1.00 1.00 H new ATOM 1498 N VAL A 89 -4.414 -5.859 -0.155 1.00 1.00 N ATOM 1499 CA VAL A 89 -2.922 -6.031 -0.095 1.00 1.00 C ATOM 1500 C VAL A 89 -2.520 -7.367 -0.742 1.00 1.00 C ATOM 1501 O VAL A 89 -1.512 -7.448 -1.420 1.00 1.00 O ATOM 1502 CB VAL A 89 -2.458 -6.011 1.370 1.00 1.00 C ATOM 1503 CG1 VAL A 89 -0.946 -6.243 1.437 1.00 1.00 C ATOM 1504 CG2 VAL A 89 -2.785 -4.652 1.999 1.00 1.00 C ATOM 0 H VAL A 89 -4.850 -5.607 0.732 1.00 1.00 H new ATOM 0 HA VAL A 89 -2.448 -5.213 -0.638 1.00 1.00 H new ATOM 0 HB VAL A 89 -2.974 -6.801 1.916 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -0.621 -6.228 2.477 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -0.706 -7.211 0.996 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -0.432 -5.456 0.885 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -2.454 -4.643 3.038 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -2.273 -3.863 1.448 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -3.861 -4.482 1.959 1.00 1.00 H new ATOM 1514 N GLU A 90 -3.301 -8.408 -0.538 1.00 1.00 N ATOM 1515 CA GLU A 90 -2.971 -9.740 -1.142 1.00 1.00 C ATOM 1516 C GLU A 90 -2.875 -9.608 -2.668 1.00 1.00 C ATOM 1517 O GLU A 90 -1.962 -10.130 -3.281 1.00 1.00 O ATOM 1518 CB GLU A 90 -4.064 -10.754 -0.784 1.00 1.00 C ATOM 1519 CG GLU A 90 -3.425 -12.117 -0.486 1.00 1.00 C ATOM 1520 CD GLU A 90 -2.798 -12.694 -1.762 1.00 1.00 C ATOM 1521 OE1 GLU A 90 -3.543 -13.158 -2.611 1.00 1.00 O ATOM 1522 OE2 GLU A 90 -1.581 -12.664 -1.868 1.00 1.00 O ATOM 0 H GLU A 90 -4.153 -8.390 0.022 1.00 1.00 H new ATOM 0 HA GLU A 90 -2.014 -10.084 -0.749 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -4.626 -10.407 0.083 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -4.773 -10.846 -1.607 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -2.664 -12.010 0.286 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -4.178 -12.804 -0.098 1.00 1.00 H new ATOM 1529 N TRP A 91 -3.804 -8.906 -3.280 1.00 1.00 N ATOM 1530 CA TRP A 91 -3.768 -8.724 -4.766 1.00 1.00 C ATOM 1531 C TRP A 91 -2.444 -8.060 -5.165 1.00 1.00 C ATOM 1532 O TRP A 91 -1.782 -8.492 -6.092 1.00 1.00 O ATOM 1533 CB TRP A 91 -4.939 -7.839 -5.205 1.00 1.00 C ATOM 1534 CG TRP A 91 -4.964 -7.736 -6.697 1.00 1.00 C ATOM 1535 CD1 TRP A 91 -5.677 -8.538 -7.520 1.00 1.00 C ATOM 1536 CD2 TRP A 91 -4.256 -6.794 -7.557 1.00 1.00 C ATOM 1537 NE1 TRP A 91 -5.453 -8.149 -8.829 1.00 1.00 N ATOM 1538 CE2 TRP A 91 -4.584 -7.079 -8.903 1.00 1.00 C ATOM 1539 CE3 TRP A 91 -3.370 -5.732 -7.301 1.00 1.00 C ATOM 1540 CZ2 TRP A 91 -4.051 -6.335 -9.957 1.00 1.00 C ATOM 1541 CZ3 TRP A 91 -2.833 -4.983 -8.359 1.00 1.00 C ATOM 1542 CH2 TRP A 91 -3.173 -5.284 -9.685 1.00 1.00 C ATOM 0 H TRP A 91 -4.587 -8.451 -2.811 1.00 1.00 H new ATOM 0 HA TRP A 91 -3.850 -9.696 -5.253 1.00 1.00 H new ATOM 0 HB2 TRP A 91 -5.879 -8.258 -4.844 1.00 1.00 H new ATOM 0 HB3 TRP A 91 -4.842 -6.847 -4.764 1.00 1.00 H new ATOM 0 HD1 TRP A 91 -6.317 -9.350 -7.207 1.00 1.00 H new ATOM 0 HE1 TRP A 91 -5.878 -8.598 -9.640 1.00 1.00 H new ATOM 0 HE3 TRP A 91 -3.101 -5.491 -6.283 1.00 1.00 H new ATOM 0 HZ2 TRP A 91 -4.316 -6.571 -10.977 1.00 1.00 H new ATOM 0 HZ3 TRP A 91 -2.154 -4.170 -8.150 1.00 1.00 H new ATOM 0 HH2 TRP A 91 -2.756 -4.704 -10.495 1.00 1.00 H new ATOM 1553 N LEU A 92 -2.055 -7.016 -4.465 1.00 1.00 N ATOM 1554 CA LEU A 92 -0.769 -6.318 -4.789 1.00 1.00 C ATOM 1555 C LEU A 92 0.409 -7.277 -4.563 1.00 1.00 C ATOM 1556 O LEU A 92 1.388 -7.246 -5.289 1.00 1.00 O ATOM 1557 CB LEU A 92 -0.610 -5.090 -3.886 1.00 1.00 C ATOM 1558 CG LEU A 92 -1.614 -4.010 -4.304 1.00 1.00 C ATOM 1559 CD1 LEU A 92 -2.325 -3.464 -3.063 1.00 1.00 C ATOM 1560 CD2 LEU A 92 -0.876 -2.871 -5.010 1.00 1.00 C ATOM 0 H LEU A 92 -2.575 -6.618 -3.683 1.00 1.00 H new ATOM 0 HA LEU A 92 -0.783 -6.002 -5.832 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -0.773 -5.368 -2.845 1.00 1.00 H new ATOM 0 HB3 LEU A 92 0.406 -4.703 -3.957 1.00 1.00 H new ATOM 0 HG LEU A 92 -2.349 -4.443 -4.983 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -3.039 -2.696 -3.361 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -2.853 -4.274 -2.560 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -1.590 -3.032 -2.383 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -1.591 -2.103 -5.307 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -0.140 -2.439 -4.332 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -0.371 -3.258 -5.895 1.00 1.00 H new ATOM 1572 N LYS A 93 0.316 -8.132 -3.568 1.00 1.00 N ATOM 1573 CA LYS A 93 1.417 -9.106 -3.287 1.00 1.00 C ATOM 1574 C LYS A 93 1.551 -10.082 -4.463 1.00 1.00 C ATOM 1575 O LYS A 93 2.634 -10.288 -4.985 1.00 1.00 O ATOM 1576 CB LYS A 93 1.092 -9.886 -2.008 1.00 1.00 C ATOM 1577 CG LYS A 93 1.993 -9.401 -0.867 1.00 1.00 C ATOM 1578 CD LYS A 93 1.131 -8.796 0.242 1.00 1.00 C ATOM 1579 CE LYS A 93 2.032 -8.130 1.285 1.00 1.00 C ATOM 1580 NZ LYS A 93 2.491 -6.803 0.781 1.00 1.00 N ATOM 0 H LYS A 93 -0.482 -8.195 -2.936 1.00 1.00 H new ATOM 0 HA LYS A 93 2.355 -8.567 -3.156 1.00 1.00 H new ATOM 0 HB2 LYS A 93 0.044 -9.747 -1.742 1.00 1.00 H new ATOM 0 HB3 LYS A 93 1.240 -10.953 -2.173 1.00 1.00 H new ATOM 0 HG2 LYS A 93 2.579 -10.232 -0.474 1.00 1.00 H new ATOM 0 HG3 LYS A 93 2.700 -8.659 -1.238 1.00 1.00 H new ATOM 0 HD2 LYS A 93 0.441 -8.064 -0.178 1.00 1.00 H new ATOM 0 HD3 LYS A 93 0.526 -9.572 0.711 1.00 1.00 H new ATOM 0 HE2 LYS A 93 1.489 -8.006 2.222 1.00 1.00 H new ATOM 0 HE3 LYS A 93 2.891 -8.766 1.496 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 3.496 -6.860 0.518 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 1.929 -6.535 -0.052 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 2.369 -6.087 1.526 1.00 1.00 H new ATOM 1594 N ARG A 94 0.452 -10.674 -4.887 1.00 1.00 N ATOM 1595 CA ARG A 94 0.493 -11.634 -6.039 1.00 1.00 C ATOM 1596 C ARG A 94 1.139 -10.950 -7.249 1.00 1.00 C ATOM 1597 O ARG A 94 1.925 -11.547 -7.964 1.00 1.00 O ATOM 1598 CB ARG A 94 -0.932 -12.066 -6.400 1.00 1.00 C ATOM 1599 CG ARG A 94 -1.554 -12.827 -5.225 1.00 1.00 C ATOM 1600 CD ARG A 94 -2.324 -14.043 -5.747 1.00 1.00 C ATOM 1601 NE ARG A 94 -3.502 -13.587 -6.541 1.00 1.00 N ATOM 1602 CZ ARG A 94 -4.068 -14.400 -7.394 1.00 1.00 C ATOM 1603 NH1 ARG A 94 -3.461 -14.699 -8.513 1.00 1.00 N ATOM 1604 NH2 ARG A 94 -5.242 -14.912 -7.127 1.00 1.00 N ATOM 0 H ARG A 94 -0.473 -10.531 -4.481 1.00 1.00 H new ATOM 0 HA ARG A 94 1.077 -12.511 -5.759 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -1.537 -11.192 -6.641 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -0.917 -12.698 -7.288 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -0.775 -13.147 -4.533 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -2.224 -12.172 -4.669 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -1.673 -14.660 -6.366 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -2.653 -14.663 -4.913 1.00 1.00 H new ATOM 0 HE ARG A 94 -3.865 -12.642 -6.418 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -2.546 -14.298 -8.720 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -3.902 -15.333 -9.179 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -5.714 -14.677 -6.254 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -5.685 -15.546 -7.792 1.00 1.00 H new ATOM 1618 N LYS A 95 0.816 -9.696 -7.465 1.00 1.00 N ATOM 1619 CA LYS A 95 1.401 -8.936 -8.610 1.00 1.00 C ATOM 1620 C LYS A 95 2.924 -8.816 -8.441 1.00 1.00 C ATOM 1621 O LYS A 95 3.656 -8.807 -9.414 1.00 1.00 O ATOM 1622 CB LYS A 95 0.778 -7.537 -8.658 1.00 1.00 C ATOM 1623 CG LYS A 95 1.242 -6.809 -9.923 1.00 1.00 C ATOM 1624 CD LYS A 95 0.240 -5.708 -10.283 1.00 1.00 C ATOM 1625 CE LYS A 95 0.482 -4.483 -9.395 1.00 1.00 C ATOM 1626 NZ LYS A 95 1.458 -3.569 -10.056 1.00 1.00 N ATOM 0 H LYS A 95 0.164 -9.163 -6.889 1.00 1.00 H new ATOM 0 HA LYS A 95 1.189 -9.466 -9.539 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -0.309 -7.612 -8.648 1.00 1.00 H new ATOM 0 HB3 LYS A 95 1.067 -6.969 -7.773 1.00 1.00 H new ATOM 0 HG2 LYS A 95 2.230 -6.377 -9.764 1.00 1.00 H new ATOM 0 HG3 LYS A 95 1.332 -7.515 -10.748 1.00 1.00 H new ATOM 0 HD2 LYS A 95 0.346 -5.435 -11.333 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -0.779 -6.071 -10.149 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -0.457 -3.960 -9.216 1.00 1.00 H new ATOM 0 HE3 LYS A 95 0.863 -4.796 -8.423 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 1.431 -2.639 -9.592 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 2.415 -3.968 -9.978 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 1.209 -3.462 -11.060 1.00 1.00 H new ATOM 1640 N GLY A 96 3.405 -8.718 -7.219 1.00 1.00 N ATOM 1641 CA GLY A 96 4.878 -8.593 -6.992 1.00 1.00 C ATOM 1642 C GLY A 96 5.592 -9.881 -7.418 1.00 1.00 C ATOM 1643 O GLY A 96 6.677 -9.840 -7.967 1.00 1.00 O ATOM 0 H GLY A 96 2.837 -8.720 -6.372 1.00 1.00 H new ATOM 0 HA2 GLY A 96 5.270 -7.748 -7.558 1.00 1.00 H new ATOM 0 HA3 GLY A 96 5.075 -8.391 -5.939 1.00 1.00 H new ATOM 1647 N TYR A 97 4.995 -11.020 -7.151 1.00 1.00 N ATOM 1648 CA TYR A 97 5.637 -12.327 -7.517 1.00 1.00 C ATOM 1649 C TYR A 97 5.731 -12.478 -9.040 1.00 1.00 C ATOM 1650 O TYR A 97 6.798 -12.728 -9.573 1.00 1.00 O ATOM 1651 CB TYR A 97 4.824 -13.494 -6.934 1.00 1.00 C ATOM 1652 CG TYR A 97 4.364 -13.148 -5.536 1.00 1.00 C ATOM 1653 CD1 TYR A 97 5.252 -12.549 -4.632 1.00 1.00 C ATOM 1654 CD2 TYR A 97 3.046 -13.410 -5.152 1.00 1.00 C ATOM 1655 CE1 TYR A 97 4.821 -12.214 -3.345 1.00 1.00 C ATOM 1656 CE2 TYR A 97 2.613 -13.074 -3.864 1.00 1.00 C ATOM 1657 CZ TYR A 97 3.501 -12.476 -2.960 1.00 1.00 C ATOM 1658 OH TYR A 97 3.077 -12.151 -1.688 1.00 1.00 O ATOM 0 H TYR A 97 4.087 -11.102 -6.694 1.00 1.00 H new ATOM 0 HA TYR A 97 6.644 -12.341 -7.100 1.00 1.00 H new ATOM 0 HB2 TYR A 97 3.963 -13.703 -7.569 1.00 1.00 H new ATOM 0 HB3 TYR A 97 5.432 -14.399 -6.914 1.00 1.00 H new ATOM 0 HD1 TYR A 97 6.270 -12.346 -4.930 1.00 1.00 H new ATOM 0 HD2 TYR A 97 2.362 -13.872 -5.849 1.00 1.00 H new ATOM 0 HE1 TYR A 97 5.506 -11.753 -2.648 1.00 1.00 H new ATOM 0 HE2 TYR A 97 1.594 -13.276 -3.567 1.00 1.00 H new ATOM 0 HH TYR A 97 3.837 -11.824 -1.163 1.00 1.00 H new ATOM 1668 N LEU A 98 4.628 -12.338 -9.744 1.00 1.00 N ATOM 1669 CA LEU A 98 4.661 -12.483 -11.236 1.00 1.00 C ATOM 1670 C LEU A 98 5.560 -11.401 -11.851 1.00 1.00 C ATOM 1671 O LEU A 98 6.290 -11.658 -12.792 1.00 1.00 O ATOM 1672 CB LEU A 98 3.240 -12.383 -11.817 1.00 1.00 C ATOM 1673 CG LEU A 98 2.567 -11.071 -11.392 1.00 1.00 C ATOM 1674 CD1 LEU A 98 2.651 -10.055 -12.536 1.00 1.00 C ATOM 1675 CD2 LEU A 98 1.095 -11.342 -11.061 1.00 1.00 C ATOM 0 H LEU A 98 3.710 -12.130 -9.350 1.00 1.00 H new ATOM 0 HA LEU A 98 5.069 -13.464 -11.481 1.00 1.00 H new ATOM 0 HB2 LEU A 98 3.283 -12.439 -12.905 1.00 1.00 H new ATOM 0 HB3 LEU A 98 2.643 -13.229 -11.477 1.00 1.00 H new ATOM 0 HG LEU A 98 3.074 -10.670 -10.514 1.00 1.00 H new ATOM 0 HD11 LEU A 98 2.172 -9.124 -12.232 1.00 1.00 H new ATOM 0 HD12 LEU A 98 3.697 -9.864 -12.777 1.00 1.00 H new ATOM 0 HD13 LEU A 98 2.144 -10.454 -13.415 1.00 1.00 H new ATOM 0 HD21 LEU A 98 0.613 -10.412 -10.758 1.00 1.00 H new ATOM 0 HD22 LEU A 98 0.592 -11.742 -11.941 1.00 1.00 H new ATOM 0 HD23 LEU A 98 1.032 -12.065 -10.247 1.00 1.00 H new ATOM 1687 N ASP A 99 5.518 -10.199 -11.321 1.00 1.00 N ATOM 1688 CA ASP A 99 6.375 -9.099 -11.864 1.00 1.00 C ATOM 1689 C ASP A 99 7.855 -9.424 -11.617 1.00 1.00 C ATOM 1690 O ASP A 99 8.684 -9.274 -12.495 1.00 1.00 O ATOM 1691 CB ASP A 99 6.023 -7.780 -11.166 1.00 1.00 C ATOM 1692 CG ASP A 99 6.511 -6.602 -12.015 1.00 1.00 C ATOM 1693 OD1 ASP A 99 5.751 -6.148 -12.856 1.00 1.00 O ATOM 1694 OD2 ASP A 99 7.634 -6.172 -11.808 1.00 1.00 O ATOM 0 H ASP A 99 4.925 -9.934 -10.534 1.00 1.00 H new ATOM 0 HA ASP A 99 6.198 -9.004 -12.935 1.00 1.00 H new ATOM 0 HB2 ASP A 99 4.945 -7.712 -11.017 1.00 1.00 H new ATOM 0 HB3 ASP A 99 6.484 -7.745 -10.179 1.00 1.00 H new ATOM 1699 N GLU A 100 8.183 -9.866 -10.423 1.00 1.00 N ATOM 1700 CA GLU A 100 9.604 -10.204 -10.091 1.00 1.00 C ATOM 1701 C GLU A 100 10.075 -11.397 -10.934 1.00 1.00 C ATOM 1702 O GLU A 100 11.227 -11.469 -11.323 1.00 1.00 O ATOM 1703 CB GLU A 100 9.708 -10.558 -8.604 1.00 1.00 C ATOM 1704 CG GLU A 100 11.161 -10.414 -8.140 1.00 1.00 C ATOM 1705 CD GLU A 100 11.210 -10.341 -6.611 1.00 1.00 C ATOM 1706 OE1 GLU A 100 11.314 -11.387 -5.989 1.00 1.00 O ATOM 1707 OE2 GLU A 100 11.142 -9.241 -6.086 1.00 1.00 O ATOM 0 H GLU A 100 7.521 -10.007 -9.660 1.00 1.00 H new ATOM 0 HA GLU A 100 10.235 -9.343 -10.311 1.00 1.00 H new ATOM 0 HB2 GLU A 100 9.062 -9.904 -8.018 1.00 1.00 H new ATOM 0 HB3 GLU A 100 9.362 -11.578 -8.438 1.00 1.00 H new ATOM 0 HG2 GLU A 100 11.751 -11.260 -8.492 1.00 1.00 H new ATOM 0 HG3 GLU A 100 11.603 -9.516 -8.571 1.00 1.00 H new ATOM 1714 N LEU A 101 9.195 -12.334 -11.213 1.00 1.00 N ATOM 1715 CA LEU A 101 9.584 -13.529 -12.026 1.00 1.00 C ATOM 1716 C LEU A 101 10.080 -13.081 -13.407 1.00 1.00 C ATOM 1717 O LEU A 101 11.201 -13.368 -13.786 1.00 1.00 O ATOM 1718 CB LEU A 101 8.370 -14.453 -12.191 1.00 1.00 C ATOM 1719 CG LEU A 101 8.635 -15.781 -11.475 1.00 1.00 C ATOM 1720 CD1 LEU A 101 7.303 -16.462 -11.150 1.00 1.00 C ATOM 1721 CD2 LEU A 101 9.465 -16.692 -12.384 1.00 1.00 C ATOM 0 H LEU A 101 8.221 -12.320 -10.910 1.00 1.00 H new ATOM 0 HA LEU A 101 10.384 -14.066 -11.516 1.00 1.00 H new ATOM 0 HB2 LEU A 101 7.480 -13.978 -11.779 1.00 1.00 H new ATOM 0 HB3 LEU A 101 8.176 -14.631 -13.249 1.00 1.00 H new ATOM 0 HG LEU A 101 9.181 -15.593 -10.550 1.00 1.00 H new ATOM 0 HD11 LEU A 101 7.492 -17.407 -10.641 1.00 1.00 H new ATOM 0 HD12 LEU A 101 6.711 -15.814 -10.504 1.00 1.00 H new ATOM 0 HD13 LEU A 101 6.756 -16.651 -12.074 1.00 1.00 H new ATOM 0 HD21 LEU A 101 9.655 -17.638 -11.876 1.00 1.00 H new ATOM 0 HD22 LEU A 101 8.918 -16.880 -13.308 1.00 1.00 H new ATOM 0 HD23 LEU A 101 10.414 -16.208 -12.616 1.00 1.00 H new ATOM 1733 N LEU A 102 9.248 -12.377 -14.151 1.00 1.00 N ATOM 1734 CA LEU A 102 9.637 -11.888 -15.517 1.00 1.00 C ATOM 1735 C LEU A 102 9.684 -13.063 -16.511 1.00 1.00 C ATOM 1736 O LEU A 102 8.856 -13.080 -17.408 1.00 1.00 O ATOM 1737 CB LEU A 102 11.005 -11.186 -15.459 1.00 1.00 C ATOM 1738 CG LEU A 102 11.201 -10.335 -16.717 1.00 1.00 C ATOM 1739 CD1 LEU A 102 10.318 -9.086 -16.636 1.00 1.00 C ATOM 1740 CD2 LEU A 102 12.670 -9.914 -16.822 1.00 1.00 C ATOM 1741 OXT LEU A 102 10.542 -13.922 -16.366 1.00 1.00 O ATOM 0 H LEU A 102 8.304 -12.119 -13.863 1.00 1.00 H new ATOM 0 HA LEU A 102 8.889 -11.172 -15.858 1.00 1.00 H new ATOM 0 HB2 LEU A 102 11.065 -10.558 -14.570 1.00 1.00 H new ATOM 0 HB3 LEU A 102 11.801 -11.926 -15.381 1.00 1.00 H new ATOM 0 HG LEU A 102 10.923 -10.918 -17.595 1.00 1.00 H new ATOM 0 HD11 LEU A 102 10.459 -8.482 -17.532 1.00 1.00 H new ATOM 0 HD12 LEU A 102 9.272 -9.384 -16.560 1.00 1.00 H new ATOM 0 HD13 LEU A 102 10.593 -8.502 -15.758 1.00 1.00 H new ATOM 0 HD21 LEU A 102 12.812 -9.308 -17.717 1.00 1.00 H new ATOM 0 HD22 LEU A 102 12.946 -9.332 -15.942 1.00 1.00 H new ATOM 0 HD23 LEU A 102 13.300 -10.802 -16.881 1.00 1.00 H new TER 1753 LEU A 102