USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 HIS : no HD1:sc= -2.06 K(o=-2.3,f=-3.2!) USER MOD Set 1.2: A 92 THR OG1 : rot 170:sc= -0.252 USER MOD Set 2.1: A 17 LYS NZ :NH3+ -140:sc= -2.2! (180deg=-3.27!) USER MOD Set 2.2: A 85 THR OG1 : rot -54:sc= 0.263 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.105 USER MOD Single : A 3 SER OG : rot 20:sc= 0.368 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.331 K(o=-0.33,f=-2.1!) USER MOD Single : A 10 CYS SG : rot 27:sc= 0.0651 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.28) USER MOD Single : A 46 HIS : no HD1:sc= -0.381 K(o=-0.38,f=-2.6) USER MOD Single : A 53 SER OG : rot -85:sc= 1.12 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -64:sc= 0.0845 USER MOD Single : A 66 ASN : amide:sc= -2.84! C(o=-2.8!,f=-6.6!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 180:sc= -0.455 USER MOD Single : A 79 GLN : amide:sc= -0.388 K(o=-0.39,f=-2) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -4.61! C(o=-4.6!,f=-4.8!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.48 X(o=-0.48,f=0) USER MOD Single : A 98 CYS SG : rot 21:sc= 0.0617 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.261 3.453 -30.741 1.00 0.00 N ATOM 2 CA GLY A 1 -1.251 2.867 -29.879 1.00 0.00 C ATOM 3 C GLY A 1 -0.931 1.433 -30.252 1.00 0.00 C ATOM 4 O GLY A 1 -1.130 0.518 -29.453 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.444 4.433 -30.445 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.924 3.446 -31.725 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.139 2.901 -30.672 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.341 3.465 -29.932 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.595 2.902 -28.845 1.00 0.00 H new ATOM 8 N SER A 2 -0.436 1.237 -31.469 1.00 0.00 N ATOM 9 CA SER A 2 -0.093 -0.097 -31.949 1.00 0.00 C ATOM 10 C SER A 2 0.568 -0.918 -30.845 1.00 0.00 C ATOM 11 O SER A 2 0.231 -2.083 -30.636 1.00 0.00 O ATOM 12 CB SER A 2 0.840 -0.003 -33.158 1.00 0.00 C ATOM 13 OG SER A 2 2.100 0.531 -32.790 1.00 0.00 O ATOM 0 H SER A 2 -0.263 1.985 -32.141 1.00 0.00 H new ATOM 0 HA SER A 2 -1.014 -0.597 -32.248 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.975 -0.992 -33.595 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.385 0.625 -33.924 1.00 0.00 H new ATOM 0 HG SER A 2 2.678 0.579 -33.580 1.00 0.00 H new ATOM 19 N SER A 3 1.512 -0.300 -30.141 1.00 0.00 N ATOM 20 CA SER A 3 2.223 -0.973 -29.061 1.00 0.00 C ATOM 21 C SER A 3 2.710 0.032 -28.022 1.00 0.00 C ATOM 22 O SER A 3 3.057 1.165 -28.353 1.00 0.00 O ATOM 23 CB SER A 3 3.409 -1.763 -29.618 1.00 0.00 C ATOM 24 OG SER A 3 2.999 -3.035 -30.090 1.00 0.00 O ATOM 0 H SER A 3 1.801 0.665 -30.300 1.00 0.00 H new ATOM 0 HA SER A 3 1.531 -1.662 -28.577 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.874 -1.203 -30.430 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.165 -1.886 -28.842 1.00 0.00 H new ATOM 0 HG SER A 3 2.034 -3.024 -30.263 1.00 0.00 H new ATOM 30 N GLY A 4 2.733 -0.392 -26.762 1.00 0.00 N ATOM 31 CA GLY A 4 3.179 0.482 -25.693 1.00 0.00 C ATOM 32 C GLY A 4 3.250 -0.228 -24.355 1.00 0.00 C ATOM 33 O GLY A 4 3.911 -1.258 -24.226 1.00 0.00 O ATOM 0 H GLY A 4 2.451 -1.325 -26.463 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.162 0.882 -25.941 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.500 1.331 -25.615 1.00 0.00 H new ATOM 37 N SER A 5 2.567 0.325 -23.357 1.00 0.00 N ATOM 38 CA SER A 5 2.560 -0.259 -22.021 1.00 0.00 C ATOM 39 C SER A 5 1.548 0.448 -21.125 1.00 0.00 C ATOM 40 O SER A 5 1.458 1.675 -21.120 1.00 0.00 O ATOM 41 CB SER A 5 3.955 -0.178 -21.398 1.00 0.00 C ATOM 42 OG SER A 5 3.936 -0.602 -20.046 1.00 0.00 O ATOM 0 H SER A 5 2.012 1.176 -23.449 1.00 0.00 H new ATOM 0 HA SER A 5 2.271 -1.306 -22.110 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.647 -0.798 -21.967 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.323 0.846 -21.456 1.00 0.00 H new ATOM 0 HG SER A 5 4.840 -0.542 -19.672 1.00 0.00 H new ATOM 48 N SER A 6 0.789 -0.337 -20.367 1.00 0.00 N ATOM 49 CA SER A 6 -0.220 0.213 -19.468 1.00 0.00 C ATOM 50 C SER A 6 0.362 0.450 -18.078 1.00 0.00 C ATOM 51 O SER A 6 0.225 -0.385 -17.185 1.00 0.00 O ATOM 52 CB SER A 6 -1.420 -0.731 -19.377 1.00 0.00 C ATOM 53 OG SER A 6 -2.553 -0.066 -18.846 1.00 0.00 O ATOM 0 H SER A 6 0.853 -1.355 -20.357 1.00 0.00 H new ATOM 0 HA SER A 6 -0.549 1.170 -19.873 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.655 -1.122 -20.367 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.168 -1.585 -18.748 1.00 0.00 H new ATOM 0 HG SER A 6 -3.307 -0.690 -18.800 1.00 0.00 H new ATOM 59 N GLY A 7 1.013 1.596 -17.904 1.00 0.00 N ATOM 60 CA GLY A 7 1.607 1.924 -16.621 1.00 0.00 C ATOM 61 C GLY A 7 2.087 3.360 -16.554 1.00 0.00 C ATOM 62 O GLY A 7 3.127 3.700 -17.118 1.00 0.00 O ATOM 0 H GLY A 7 1.140 2.303 -18.628 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.876 1.751 -15.831 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.446 1.255 -16.431 1.00 0.00 H new ATOM 66 N ASP A 8 1.328 4.205 -15.865 1.00 0.00 N ATOM 67 CA ASP A 8 1.682 5.613 -15.727 1.00 0.00 C ATOM 68 C ASP A 8 2.326 5.881 -14.371 1.00 0.00 C ATOM 69 O ASP A 8 1.637 6.015 -13.361 1.00 0.00 O ATOM 70 CB ASP A 8 0.442 6.492 -15.900 1.00 0.00 C ATOM 71 CG ASP A 8 -0.358 6.127 -17.135 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.003 6.596 -18.235 1.00 0.00 O ATOM 73 OD2 ASP A 8 -1.346 5.375 -17.002 1.00 0.00 O ATOM 0 H ASP A 8 0.464 3.939 -15.393 1.00 0.00 H new ATOM 0 HA ASP A 8 2.403 5.859 -16.506 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.192 6.398 -15.019 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.747 7.537 -15.963 1.00 0.00 H new ATOM 78 N ASN A 9 3.653 5.957 -14.356 1.00 0.00 N ATOM 79 CA ASN A 9 4.391 6.208 -13.123 1.00 0.00 C ATOM 80 C ASN A 9 3.819 5.388 -11.971 1.00 0.00 C ATOM 81 O ASN A 9 3.712 5.872 -10.843 1.00 0.00 O ATOM 82 CB ASN A 9 4.350 7.697 -12.774 1.00 0.00 C ATOM 83 CG ASN A 9 5.561 8.137 -11.974 1.00 0.00 C ATOM 84 OD1 ASN A 9 6.612 7.497 -12.017 1.00 0.00 O ATOM 85 ND2 ASN A 9 5.419 9.234 -11.240 1.00 0.00 N ATOM 0 H ASN A 9 4.239 5.848 -15.184 1.00 0.00 H new ATOM 0 HA ASN A 9 5.427 5.907 -13.281 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.293 8.281 -13.692 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.445 7.909 -12.205 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.200 9.578 -10.681 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.529 9.733 -11.235 1.00 0.00 H new ATOM 92 N CYS A 10 3.453 4.145 -12.262 1.00 0.00 N ATOM 93 CA CYS A 10 2.891 3.257 -11.250 1.00 0.00 C ATOM 94 C CYS A 10 3.349 1.819 -11.473 1.00 0.00 C ATOM 95 O CYS A 10 3.398 1.342 -12.607 1.00 0.00 O ATOM 96 CB CYS A 10 1.363 3.327 -11.271 1.00 0.00 C ATOM 97 SG CYS A 10 0.624 2.843 -12.849 1.00 0.00 S ATOM 0 H CYS A 10 3.535 3.729 -13.190 1.00 0.00 H new ATOM 0 HA CYS A 10 3.249 3.586 -10.275 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.970 2.683 -10.485 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.053 4.345 -11.034 1.00 0.00 H new ATOM 0 HG CYS A 10 1.417 2.017 -13.464 1.00 0.00 H new ATOM 103 N ARG A 11 3.687 1.135 -10.385 1.00 0.00 N ATOM 104 CA ARG A 11 4.144 -0.247 -10.462 1.00 0.00 C ATOM 105 C ARG A 11 3.078 -1.203 -9.936 1.00 0.00 C ATOM 106 O ARG A 11 2.724 -1.164 -8.758 1.00 0.00 O ATOM 107 CB ARG A 11 5.439 -0.423 -9.667 1.00 0.00 C ATOM 108 CG ARG A 11 6.351 -1.506 -10.220 1.00 0.00 C ATOM 109 CD ARG A 11 5.851 -2.895 -9.854 1.00 0.00 C ATOM 110 NE ARG A 11 6.405 -3.925 -10.729 1.00 0.00 N ATOM 111 CZ ARG A 11 7.636 -4.408 -10.609 1.00 0.00 C ATOM 112 NH1 ARG A 11 8.438 -3.957 -9.654 1.00 0.00 N ATOM 113 NH2 ARG A 11 8.068 -5.344 -11.444 1.00 0.00 N ATOM 0 H ARG A 11 3.653 1.516 -9.439 1.00 0.00 H new ATOM 0 HA ARG A 11 4.333 -0.483 -11.509 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.979 0.524 -9.655 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.191 -0.662 -8.633 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.411 -1.414 -11.304 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.360 -1.367 -9.832 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.118 -3.116 -8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.763 -2.916 -9.914 1.00 0.00 H new ATOM 0 HE ARG A 11 5.813 -4.294 -11.474 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.110 -3.238 -9.010 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.383 -4.330 -9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.454 -5.694 -12.180 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.014 -5.714 -11.350 1.00 0.00 H new ATOM 127 N GLU A 12 2.571 -2.059 -10.818 1.00 0.00 N ATOM 128 CA GLU A 12 1.544 -3.024 -10.441 1.00 0.00 C ATOM 129 C GLU A 12 2.173 -4.304 -9.900 1.00 0.00 C ATOM 130 O GLU A 12 2.733 -5.101 -10.653 1.00 0.00 O ATOM 131 CB GLU A 12 0.653 -3.348 -11.642 1.00 0.00 C ATOM 132 CG GLU A 12 -0.755 -3.771 -11.258 1.00 0.00 C ATOM 133 CD GLU A 12 -1.681 -3.870 -12.454 1.00 0.00 C ATOM 134 OE1 GLU A 12 -2.195 -2.820 -12.894 1.00 0.00 O ATOM 135 OE2 GLU A 12 -1.893 -4.996 -12.950 1.00 0.00 O ATOM 0 H GLU A 12 2.854 -2.104 -11.797 1.00 0.00 H new ATOM 0 HA GLU A 12 0.934 -2.579 -9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.597 -2.472 -12.289 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.117 -4.145 -12.224 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.715 -4.736 -10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.164 -3.055 -10.545 1.00 0.00 H new ATOM 142 N VAL A 13 2.077 -4.495 -8.588 1.00 0.00 N ATOM 143 CA VAL A 13 2.635 -5.679 -7.945 1.00 0.00 C ATOM 144 C VAL A 13 1.536 -6.550 -7.348 1.00 0.00 C ATOM 145 O VAL A 13 0.961 -6.219 -6.311 1.00 0.00 O ATOM 146 CB VAL A 13 3.632 -5.296 -6.834 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.237 -6.543 -6.207 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.718 -4.385 -7.385 1.00 0.00 C ATOM 0 H VAL A 13 1.618 -3.845 -7.950 1.00 0.00 H new ATOM 0 HA VAL A 13 3.160 -6.241 -8.717 1.00 0.00 H new ATOM 0 HB VAL A 13 3.094 -4.753 -6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.938 -6.253 -5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.444 -7.154 -5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.762 -7.116 -6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.413 -4.124 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.256 -4.900 -8.181 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.264 -3.477 -7.782 1.00 0.00 H new ATOM 158 N HIS A 14 1.249 -7.667 -8.010 1.00 0.00 N ATOM 159 CA HIS A 14 0.218 -8.588 -7.544 1.00 0.00 C ATOM 160 C HIS A 14 0.801 -9.607 -6.570 1.00 0.00 C ATOM 161 O HIS A 14 1.900 -10.123 -6.777 1.00 0.00 O ATOM 162 CB HIS A 14 -0.425 -9.308 -8.729 1.00 0.00 C ATOM 163 CG HIS A 14 -0.765 -8.399 -9.870 1.00 0.00 C ATOM 164 ND1 HIS A 14 0.187 -7.834 -10.692 1.00 0.00 N ATOM 165 CD2 HIS A 14 -1.962 -7.959 -10.325 1.00 0.00 C ATOM 166 CE1 HIS A 14 -0.409 -7.084 -11.602 1.00 0.00 C ATOM 167 NE2 HIS A 14 -1.713 -7.143 -11.401 1.00 0.00 N ATOM 0 H HIS A 14 1.715 -7.956 -8.870 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.544 -8.009 -7.023 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.253 -10.084 -9.083 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.333 -9.808 -8.391 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.932 -8.204 -9.918 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.086 -6.519 -12.378 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.420 -6.661 -11.955 1.00 0.00 H new ATOM 175 N LEU A 15 0.058 -9.893 -5.506 1.00 0.00 N ATOM 176 CA LEU A 15 0.501 -10.850 -4.498 1.00 0.00 C ATOM 177 C LEU A 15 -0.479 -12.013 -4.383 1.00 0.00 C ATOM 178 O LEU A 15 -1.626 -11.915 -4.819 1.00 0.00 O ATOM 179 CB LEU A 15 0.652 -10.159 -3.141 1.00 0.00 C ATOM 180 CG LEU A 15 1.379 -8.814 -3.150 1.00 0.00 C ATOM 181 CD1 LEU A 15 0.922 -7.953 -1.983 1.00 0.00 C ATOM 182 CD2 LEU A 15 2.886 -9.022 -3.104 1.00 0.00 C ATOM 0 H LEU A 15 -0.854 -9.476 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 15 1.469 -11.244 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.342 -10.009 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.185 -10.833 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 15 1.132 -8.295 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.450 -7.000 -2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.151 -7.776 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.139 -8.466 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.387 -8.054 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.151 -9.561 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.200 -9.600 -3.973 1.00 0.00 H new ATOM 194 N GLU A 16 -0.020 -13.111 -3.792 1.00 0.00 N ATOM 195 CA GLU A 16 -0.858 -14.292 -3.619 1.00 0.00 C ATOM 196 C GLU A 16 -0.935 -14.694 -2.149 1.00 0.00 C ATOM 197 O GLU A 16 0.035 -15.194 -1.578 1.00 0.00 O ATOM 198 CB GLU A 16 -0.314 -15.457 -4.450 1.00 0.00 C ATOM 199 CG GLU A 16 -0.407 -15.230 -5.949 1.00 0.00 C ATOM 200 CD GLU A 16 -0.243 -16.511 -6.744 1.00 0.00 C ATOM 201 OE1 GLU A 16 -1.209 -17.299 -6.807 1.00 0.00 O ATOM 202 OE2 GLU A 16 0.854 -16.725 -7.303 1.00 0.00 O ATOM 0 H GLU A 16 0.927 -13.208 -3.425 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.863 -14.047 -3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.728 -15.629 -4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.863 -16.363 -4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.372 -14.781 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.360 -14.517 -6.253 1.00 0.00 H new ATOM 209 N LYS A 17 -2.095 -14.471 -1.541 1.00 0.00 N ATOM 210 CA LYS A 17 -2.302 -14.810 -0.138 1.00 0.00 C ATOM 211 C LYS A 17 -3.350 -15.908 0.008 1.00 0.00 C ATOM 212 O LYS A 17 -3.958 -16.334 -0.974 1.00 0.00 O ATOM 213 CB LYS A 17 -2.733 -13.570 0.649 1.00 0.00 C ATOM 214 CG LYS A 17 -4.235 -13.343 0.652 1.00 0.00 C ATOM 215 CD LYS A 17 -4.630 -12.237 1.615 1.00 0.00 C ATOM 216 CE LYS A 17 -4.373 -10.861 1.021 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.290 -9.809 2.071 1.00 0.00 N ATOM 0 H LYS A 17 -2.907 -14.057 -1.998 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.358 -15.178 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.386 -13.664 1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.242 -12.693 0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.567 -13.086 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.743 -14.267 0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.686 -12.334 1.868 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.069 -12.344 2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.444 -10.879 0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.171 -10.613 0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.772 -8.949 1.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.748 -10.149 2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.292 -9.593 2.268 1.00 0.00 H new ATOM 231 N ARG A 18 -3.559 -16.360 1.240 1.00 0.00 N ATOM 232 CA ARG A 18 -4.535 -17.409 1.514 1.00 0.00 C ATOM 233 C ARG A 18 -5.755 -16.841 2.232 1.00 0.00 C ATOM 234 O ARG A 18 -5.626 -16.100 3.207 1.00 0.00 O ATOM 235 CB ARG A 18 -3.902 -18.516 2.359 1.00 0.00 C ATOM 236 CG ARG A 18 -3.222 -19.597 1.536 1.00 0.00 C ATOM 237 CD ARG A 18 -4.192 -20.708 1.166 1.00 0.00 C ATOM 238 NE ARG A 18 -3.546 -21.765 0.392 1.00 0.00 N ATOM 239 CZ ARG A 18 -4.006 -23.008 0.318 1.00 0.00 C ATOM 240 NH1 ARG A 18 -5.111 -23.350 0.967 1.00 0.00 N ATOM 241 NH2 ARG A 18 -3.362 -23.914 -0.407 1.00 0.00 N ATOM 0 H ARG A 18 -3.066 -16.017 2.064 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.858 -17.829 0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.171 -18.072 3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.673 -18.974 2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.807 -19.158 0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.387 -20.014 2.099 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.619 -21.133 2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.018 -20.291 0.590 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.694 -21.535 -0.120 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.610 -22.657 1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.462 -24.306 0.908 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.512 -23.656 -0.908 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.717 -24.869 -0.463 1.00 0.00 H new ATOM 255 N ARG A 19 -6.940 -17.193 1.743 1.00 0.00 N ATOM 256 CA ARG A 19 -8.184 -16.717 2.336 1.00 0.00 C ATOM 257 C ARG A 19 -8.050 -16.593 3.851 1.00 0.00 C ATOM 258 O ARG A 19 -7.887 -17.589 4.554 1.00 0.00 O ATOM 259 CB ARG A 19 -9.334 -17.665 1.991 1.00 0.00 C ATOM 260 CG ARG A 19 -10.710 -17.058 2.213 1.00 0.00 C ATOM 261 CD ARG A 19 -11.807 -17.946 1.647 1.00 0.00 C ATOM 262 NE ARG A 19 -13.080 -17.750 2.336 1.00 0.00 N ATOM 263 CZ ARG A 19 -13.829 -16.661 2.201 1.00 0.00 C ATOM 264 NH1 ARG A 19 -13.435 -15.676 1.406 1.00 0.00 N ATOM 265 NH2 ARG A 19 -14.975 -16.557 2.862 1.00 0.00 N ATOM 0 H ARG A 19 -7.065 -17.806 0.938 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.400 -15.731 1.925 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.244 -17.968 0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.243 -18.568 2.594 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.875 -16.908 3.280 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.756 -16.076 1.743 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.933 -17.734 0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.507 -18.991 1.730 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.412 -18.490 2.955 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.555 -15.753 0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.012 -14.841 1.304 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.281 -17.313 3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.550 -15.721 2.758 1.00 0.00 H new ATOM 279 N GLY A 20 -8.121 -15.361 4.348 1.00 0.00 N ATOM 280 CA GLY A 20 -8.006 -15.129 5.775 1.00 0.00 C ATOM 281 C GLY A 20 -6.563 -15.069 6.238 1.00 0.00 C ATOM 282 O GLY A 20 -6.244 -15.488 7.350 1.00 0.00 O ATOM 0 H GLY A 20 -8.256 -14.520 3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.505 -14.194 6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.524 -15.923 6.312 1.00 0.00 H new ATOM 286 N GLU A 21 -5.690 -14.547 5.383 1.00 0.00 N ATOM 287 CA GLU A 21 -4.273 -14.436 5.710 1.00 0.00 C ATOM 288 C GLU A 21 -3.852 -12.974 5.816 1.00 0.00 C ATOM 289 O GLU A 21 -4.017 -12.199 4.874 1.00 0.00 O ATOM 290 CB GLU A 21 -3.426 -15.148 4.654 1.00 0.00 C ATOM 291 CG GLU A 21 -1.930 -15.009 4.879 1.00 0.00 C ATOM 292 CD GLU A 21 -1.115 -15.878 3.941 1.00 0.00 C ATOM 293 OE1 GLU A 21 -1.404 -15.875 2.727 1.00 0.00 O ATOM 294 OE2 GLU A 21 -0.187 -16.562 4.423 1.00 0.00 O ATOM 0 H GLU A 21 -5.939 -14.194 4.459 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.111 -14.913 6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.687 -16.206 4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.676 -14.749 3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.642 -13.966 4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.695 -15.274 5.910 1.00 0.00 H new ATOM 301 N GLY A 22 -3.307 -12.602 6.970 1.00 0.00 N ATOM 302 CA GLY A 22 -2.871 -11.234 7.179 1.00 0.00 C ATOM 303 C GLY A 22 -1.940 -10.749 6.085 1.00 0.00 C ATOM 304 O GLY A 22 -0.842 -11.280 5.913 1.00 0.00 O ATOM 0 H GLY A 22 -3.160 -13.224 7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.743 -10.581 7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.365 -11.160 8.142 1.00 0.00 H new ATOM 308 N LEU A 23 -2.379 -9.739 5.342 1.00 0.00 N ATOM 309 CA LEU A 23 -1.578 -9.183 4.257 1.00 0.00 C ATOM 310 C LEU A 23 -0.115 -9.058 4.669 1.00 0.00 C ATOM 311 O LEU A 23 0.786 -9.187 3.842 1.00 0.00 O ATOM 312 CB LEU A 23 -2.123 -7.814 3.844 1.00 0.00 C ATOM 313 CG LEU A 23 -1.923 -7.426 2.379 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.460 -6.027 2.119 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.452 -7.514 1.999 1.00 0.00 C ATOM 0 H LEU A 23 -3.285 -9.288 5.471 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.640 -9.863 3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.190 -7.789 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.652 -7.054 4.468 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.480 -8.128 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.309 -5.768 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.525 -5.997 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.932 -5.312 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.329 -7.234 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.127 -6.836 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.099 -8.535 2.146 1.00 0.00 H new ATOM 327 N GLY A 24 0.113 -8.807 5.954 1.00 0.00 N ATOM 328 CA GLY A 24 1.469 -8.670 6.454 1.00 0.00 C ATOM 329 C GLY A 24 2.101 -7.349 6.063 1.00 0.00 C ATOM 330 O GLY A 24 3.170 -7.321 5.453 1.00 0.00 O ATOM 0 H GLY A 24 -0.617 -8.696 6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.463 -8.759 7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.079 -9.488 6.071 1.00 0.00 H new ATOM 334 N VAL A 25 1.438 -6.251 6.412 1.00 0.00 N ATOM 335 CA VAL A 25 1.941 -4.921 6.093 1.00 0.00 C ATOM 336 C VAL A 25 1.544 -3.911 7.164 1.00 0.00 C ATOM 337 O VAL A 25 0.403 -3.897 7.626 1.00 0.00 O ATOM 338 CB VAL A 25 1.419 -4.436 4.728 1.00 0.00 C ATOM 339 CG1 VAL A 25 2.224 -5.057 3.596 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.061 -4.757 4.579 1.00 0.00 C ATOM 0 H VAL A 25 0.551 -6.257 6.916 1.00 0.00 H new ATOM 0 HA VAL A 25 3.028 -4.995 6.053 1.00 0.00 H new ATOM 0 HB VAL A 25 1.540 -3.354 4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.840 -4.702 2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.271 -4.772 3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.138 -6.143 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.413 -4.407 3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.209 -5.834 4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.623 -4.260 5.370 1.00 0.00 H new ATOM 350 N ALA A 26 2.493 -3.067 7.555 1.00 0.00 N ATOM 351 CA ALA A 26 2.242 -2.052 8.571 1.00 0.00 C ATOM 352 C ALA A 26 2.489 -0.652 8.020 1.00 0.00 C ATOM 353 O ALA A 26 3.633 -0.257 7.790 1.00 0.00 O ATOM 354 CB ALA A 26 3.112 -2.302 9.794 1.00 0.00 C ATOM 0 H ALA A 26 3.443 -3.066 7.184 1.00 0.00 H new ATOM 0 HA ALA A 26 1.195 -2.119 8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.914 -1.536 10.544 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.884 -3.284 10.208 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.163 -2.265 9.507 1.00 0.00 H new ATOM 360 N LEU A 27 1.411 0.095 7.810 1.00 0.00 N ATOM 361 CA LEU A 27 1.511 1.452 7.286 1.00 0.00 C ATOM 362 C LEU A 27 1.393 2.480 8.407 1.00 0.00 C ATOM 363 O LEU A 27 1.052 2.141 9.541 1.00 0.00 O ATOM 364 CB LEU A 27 0.424 1.697 6.238 1.00 0.00 C ATOM 365 CG LEU A 27 0.308 0.645 5.134 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.122 0.567 4.620 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.268 0.959 3.996 1.00 0.00 C ATOM 0 H LEU A 27 0.457 -0.216 7.995 1.00 0.00 H new ATOM 0 HA LEU A 27 2.490 1.562 6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.536 1.766 6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.608 2.665 5.772 1.00 0.00 H new ATOM 0 HG LEU A 27 0.576 -0.325 5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.186 -0.187 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.789 0.296 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.417 1.536 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.172 0.200 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.030 1.938 3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.290 0.964 4.374 1.00 0.00 H new ATOM 379 N VAL A 28 1.674 3.738 8.082 1.00 0.00 N ATOM 380 CA VAL A 28 1.596 4.816 9.061 1.00 0.00 C ATOM 381 C VAL A 28 1.264 6.144 8.391 1.00 0.00 C ATOM 382 O VAL A 28 1.083 6.208 7.175 1.00 0.00 O ATOM 383 CB VAL A 28 2.917 4.962 9.841 1.00 0.00 C ATOM 384 CG1 VAL A 28 2.980 3.956 10.979 1.00 0.00 C ATOM 385 CG2 VAL A 28 4.107 4.800 8.907 1.00 0.00 C ATOM 0 H VAL A 28 1.958 4.036 7.149 1.00 0.00 H new ATOM 0 HA VAL A 28 0.799 4.555 9.757 1.00 0.00 H new ATOM 0 HB VAL A 28 2.956 5.963 10.272 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.920 4.075 11.518 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.147 4.126 11.661 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.918 2.945 10.575 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.032 4.906 9.474 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.076 3.813 8.445 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.067 5.565 8.131 1.00 0.00 H new ATOM 395 N GLU A 29 1.187 7.202 9.192 1.00 0.00 N ATOM 396 CA GLU A 29 0.876 8.529 8.675 1.00 0.00 C ATOM 397 C GLU A 29 2.144 9.364 8.521 1.00 0.00 C ATOM 398 O GLU A 29 3.024 9.341 9.382 1.00 0.00 O ATOM 399 CB GLU A 29 -0.109 9.244 9.602 1.00 0.00 C ATOM 400 CG GLU A 29 -1.047 8.302 10.337 1.00 0.00 C ATOM 401 CD GLU A 29 -2.391 8.935 10.640 1.00 0.00 C ATOM 402 OE1 GLU A 29 -3.152 9.197 9.686 1.00 0.00 O ATOM 403 OE2 GLU A 29 -2.681 9.168 11.832 1.00 0.00 O ATOM 0 H GLU A 29 1.336 7.166 10.200 1.00 0.00 H new ATOM 0 HA GLU A 29 0.418 8.410 7.693 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.451 9.828 10.332 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.700 9.948 9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.199 7.405 9.736 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.580 7.985 11.270 1.00 0.00 H new ATOM 410 N SER A 30 2.231 10.100 7.417 1.00 0.00 N ATOM 411 CA SER A 30 3.393 10.939 7.147 1.00 0.00 C ATOM 412 C SER A 30 2.966 12.304 6.617 1.00 0.00 C ATOM 413 O SER A 30 1.873 12.457 6.072 1.00 0.00 O ATOM 414 CB SER A 30 4.319 10.255 6.140 1.00 0.00 C ATOM 415 OG SER A 30 5.629 10.791 6.206 1.00 0.00 O ATOM 0 H SER A 30 1.511 10.132 6.695 1.00 0.00 H new ATOM 0 HA SER A 30 3.931 11.085 8.084 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.351 9.184 6.339 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.922 10.380 5.133 1.00 0.00 H new ATOM 0 HG SER A 30 6.202 10.336 5.554 1.00 0.00 H new ATOM 421 N GLY A 31 3.837 13.295 6.780 1.00 0.00 N ATOM 422 CA GLY A 31 3.533 14.635 6.313 1.00 0.00 C ATOM 423 C GLY A 31 4.564 15.154 5.330 1.00 0.00 C ATOM 424 O GLY A 31 4.213 15.715 4.292 1.00 0.00 O ATOM 0 H GLY A 31 4.748 13.194 7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.551 14.638 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.477 15.310 7.167 1.00 0.00 H new ATOM 428 N TRP A 32 5.837 14.968 5.657 1.00 0.00 N ATOM 429 CA TRP A 32 6.922 15.424 4.796 1.00 0.00 C ATOM 430 C TRP A 32 6.707 14.961 3.359 1.00 0.00 C ATOM 431 O TRP A 32 5.820 14.155 3.083 1.00 0.00 O ATOM 432 CB TRP A 32 8.265 14.907 5.315 1.00 0.00 C ATOM 433 CG TRP A 32 8.876 15.787 6.362 1.00 0.00 C ATOM 434 CD1 TRP A 32 8.264 16.276 7.481 1.00 0.00 C ATOM 435 CD2 TRP A 32 10.218 16.285 6.387 1.00 0.00 C ATOM 436 NE1 TRP A 32 9.144 17.048 8.200 1.00 0.00 N ATOM 437 CE2 TRP A 32 10.350 17.069 7.550 1.00 0.00 C ATOM 438 CE3 TRP A 32 11.321 16.145 5.541 1.00 0.00 C ATOM 439 CZ2 TRP A 32 11.541 17.708 7.885 1.00 0.00 C ATOM 440 CZ3 TRP A 32 12.502 16.780 5.875 1.00 0.00 C ATOM 441 CH2 TRP A 32 12.605 17.553 7.039 1.00 0.00 C ATOM 0 H TRP A 32 6.144 14.505 6.512 1.00 0.00 H new ATOM 0 HA TRP A 32 6.930 16.514 4.810 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.127 13.907 5.727 1.00 0.00 H new ATOM 0 HB3 TRP A 32 8.958 14.814 4.479 1.00 0.00 H new ATOM 0 HD1 TRP A 32 7.238 16.084 7.760 1.00 0.00 H new ATOM 0 HE1 TRP A 32 8.934 17.528 9.075 1.00 0.00 H new ATOM 0 HE3 TRP A 32 11.252 15.551 4.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 11.622 18.305 8.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 13.360 16.679 5.228 1.00 0.00 H new ATOM 0 HH2 TRP A 32 13.542 18.036 7.273 1.00 0.00 H new ATOM 452 N GLY A 33 7.524 15.478 2.446 1.00 0.00 N ATOM 453 CA GLY A 33 7.406 15.106 1.048 1.00 0.00 C ATOM 454 C GLY A 33 6.448 16.001 0.289 1.00 0.00 C ATOM 455 O GLY A 33 6.833 17.066 -0.193 1.00 0.00 O ATOM 0 H GLY A 33 8.266 16.148 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.389 15.151 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.066 14.073 0.978 1.00 0.00 H new ATOM 459 N SER A 34 5.195 15.569 0.181 1.00 0.00 N ATOM 460 CA SER A 34 4.180 16.336 -0.530 1.00 0.00 C ATOM 461 C SER A 34 3.210 16.992 0.449 1.00 0.00 C ATOM 462 O SER A 34 2.953 16.466 1.532 1.00 0.00 O ATOM 463 CB SER A 34 3.413 15.434 -1.498 1.00 0.00 C ATOM 464 OG SER A 34 4.296 14.768 -2.384 1.00 0.00 O ATOM 0 H SER A 34 4.859 14.691 0.577 1.00 0.00 H new ATOM 0 HA SER A 34 4.683 17.120 -1.097 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.835 14.700 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.701 16.030 -2.069 1.00 0.00 H new ATOM 0 HG SER A 34 3.781 14.197 -2.991 1.00 0.00 H new ATOM 470 N LEU A 35 2.675 18.144 0.059 1.00 0.00 N ATOM 471 CA LEU A 35 1.733 18.873 0.901 1.00 0.00 C ATOM 472 C LEU A 35 0.807 17.913 1.640 1.00 0.00 C ATOM 473 O LEU A 35 0.768 17.895 2.871 1.00 0.00 O ATOM 474 CB LEU A 35 0.909 19.845 0.054 1.00 0.00 C ATOM 475 CG LEU A 35 1.523 21.228 -0.169 1.00 0.00 C ATOM 476 CD1 LEU A 35 2.666 21.149 -1.169 1.00 0.00 C ATOM 477 CD2 LEU A 35 0.463 22.211 -0.644 1.00 0.00 C ATOM 0 H LEU A 35 2.877 18.593 -0.834 1.00 0.00 H new ATOM 0 HA LEU A 35 2.304 19.437 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.732 19.387 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.064 19.974 0.528 1.00 0.00 H new ATOM 0 HG LEU A 35 1.922 21.585 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.091 22.142 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.436 20.477 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.292 20.771 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.917 23.190 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.034 21.859 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.323 22.290 0.107 1.00 0.00 H new ATOM 489 N LEU A 36 0.063 17.115 0.881 1.00 0.00 N ATOM 490 CA LEU A 36 -0.862 16.150 1.464 1.00 0.00 C ATOM 491 C LEU A 36 -0.119 14.914 1.960 1.00 0.00 C ATOM 492 O LEU A 36 0.972 14.585 1.491 1.00 0.00 O ATOM 493 CB LEU A 36 -1.921 15.745 0.437 1.00 0.00 C ATOM 494 CG LEU A 36 -3.152 16.648 0.349 1.00 0.00 C ATOM 495 CD1 LEU A 36 -2.918 17.773 -0.647 1.00 0.00 C ATOM 496 CD2 LEU A 36 -4.381 15.838 -0.036 1.00 0.00 C ATOM 0 H LEU A 36 0.083 17.118 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.352 16.622 2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.450 15.710 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.254 14.733 0.668 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.326 17.090 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.804 18.405 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.064 18.370 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.718 17.351 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.247 16.497 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.218 15.367 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.560 15.069 0.715 1.00 0.00 H new ATOM 508 N PRO A 37 -0.721 14.210 2.929 1.00 0.00 N ATOM 509 CA PRO A 37 -0.135 12.997 3.507 1.00 0.00 C ATOM 510 C PRO A 37 -0.133 11.830 2.526 1.00 0.00 C ATOM 511 O PRO A 37 -0.910 11.805 1.572 1.00 0.00 O ATOM 512 CB PRO A 37 -1.050 12.693 4.697 1.00 0.00 C ATOM 513 CG PRO A 37 -2.355 13.317 4.340 1.00 0.00 C ATOM 514 CD PRO A 37 -2.022 14.543 3.535 1.00 0.00 C ATOM 0 HA PRO A 37 0.910 13.140 3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.154 11.619 4.852 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.650 13.112 5.621 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.972 12.628 3.764 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.920 13.579 5.235 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.779 14.744 2.777 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.957 15.431 4.164 1.00 0.00 H new ATOM 522 N THR A 38 0.747 10.862 2.767 1.00 0.00 N ATOM 523 CA THR A 38 0.851 9.692 1.905 1.00 0.00 C ATOM 524 C THR A 38 0.935 8.410 2.725 1.00 0.00 C ATOM 525 O THR A 38 1.278 8.439 3.907 1.00 0.00 O ATOM 526 CB THR A 38 2.083 9.781 0.984 1.00 0.00 C ATOM 527 OG1 THR A 38 3.275 9.884 1.770 1.00 0.00 O ATOM 528 CG2 THR A 38 1.977 10.979 0.053 1.00 0.00 C ATOM 0 H THR A 38 1.398 10.866 3.552 1.00 0.00 H new ATOM 0 HA THR A 38 -0.051 9.669 1.293 1.00 0.00 H new ATOM 0 HB THR A 38 2.124 8.875 0.380 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.054 9.938 1.178 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.858 11.021 -0.587 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.084 10.882 -0.564 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.913 11.894 0.643 1.00 0.00 H new ATOM 536 N ALA A 39 0.622 7.285 2.090 1.00 0.00 N ATOM 537 CA ALA A 39 0.665 5.992 2.761 1.00 0.00 C ATOM 538 C ALA A 39 2.071 5.401 2.725 1.00 0.00 C ATOM 539 O ALA A 39 2.516 4.895 1.695 1.00 0.00 O ATOM 540 CB ALA A 39 -0.329 5.033 2.123 1.00 0.00 C ATOM 0 H ALA A 39 0.336 7.243 1.112 1.00 0.00 H new ATOM 0 HA ALA A 39 0.389 6.143 3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.286 4.071 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.335 5.444 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.079 4.896 1.071 1.00 0.00 H new ATOM 546 N VAL A 40 2.766 5.469 3.856 1.00 0.00 N ATOM 547 CA VAL A 40 4.121 4.941 3.953 1.00 0.00 C ATOM 548 C VAL A 40 4.160 3.682 4.813 1.00 0.00 C ATOM 549 O VAL A 40 3.563 3.635 5.889 1.00 0.00 O ATOM 550 CB VAL A 40 5.088 5.983 4.545 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.527 5.502 4.431 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.910 7.327 3.855 1.00 0.00 C ATOM 0 H VAL A 40 2.413 5.885 4.718 1.00 0.00 H new ATOM 0 HA VAL A 40 4.438 4.696 2.940 1.00 0.00 H new ATOM 0 HB VAL A 40 4.855 6.110 5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.196 6.251 4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.641 4.565 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.776 5.345 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.601 8.052 4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.115 7.219 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.886 7.675 3.994 1.00 0.00 H new ATOM 562 N ILE A 41 4.865 2.665 4.330 1.00 0.00 N ATOM 563 CA ILE A 41 4.983 1.406 5.055 1.00 0.00 C ATOM 564 C ILE A 41 5.893 1.554 6.270 1.00 0.00 C ATOM 565 O ILE A 41 7.107 1.704 6.134 1.00 0.00 O ATOM 566 CB ILE A 41 5.530 0.285 4.151 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.657 0.134 2.904 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.599 -1.027 4.918 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.238 -0.804 1.870 1.00 0.00 C ATOM 0 H ILE A 41 5.363 2.688 3.440 1.00 0.00 H new ATOM 0 HA ILE A 41 3.980 1.137 5.386 1.00 0.00 H new ATOM 0 HB ILE A 41 6.538 0.552 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.673 -0.230 3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.511 1.115 2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.987 -1.810 4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.258 -0.911 5.778 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.601 -1.302 5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.566 -0.863 1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.209 -0.430 1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.358 -1.796 2.305 1.00 0.00 H new ATOM 581 N ALA A 42 5.298 1.508 7.457 1.00 0.00 N ATOM 582 CA ALA A 42 6.056 1.633 8.696 1.00 0.00 C ATOM 583 C ALA A 42 6.914 0.397 8.942 1.00 0.00 C ATOM 584 O ALA A 42 8.118 0.502 9.171 1.00 0.00 O ATOM 585 CB ALA A 42 5.114 1.866 9.869 1.00 0.00 C ATOM 0 H ALA A 42 4.294 1.385 7.587 1.00 0.00 H new ATOM 0 HA ALA A 42 6.721 2.491 8.601 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.693 1.958 10.788 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.547 2.783 9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.426 1.025 9.956 1.00 0.00 H new ATOM 591 N ASN A 43 6.286 -0.773 8.894 1.00 0.00 N ATOM 592 CA ASN A 43 6.993 -2.029 9.113 1.00 0.00 C ATOM 593 C ASN A 43 6.364 -3.156 8.299 1.00 0.00 C ATOM 594 O ASN A 43 5.230 -3.042 7.833 1.00 0.00 O ATOM 595 CB ASN A 43 6.983 -2.392 10.600 1.00 0.00 C ATOM 596 CG ASN A 43 7.881 -1.487 11.421 1.00 0.00 C ATOM 597 OD1 ASN A 43 7.413 -0.548 12.065 1.00 0.00 O ATOM 598 ND2 ASN A 43 9.179 -1.767 11.403 1.00 0.00 N ATOM 0 H ASN A 43 5.289 -0.877 8.705 1.00 0.00 H new ATOM 0 HA ASN A 43 8.024 -1.899 8.785 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.963 -2.329 10.980 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.305 -3.426 10.721 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.832 -1.194 11.937 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.523 -2.555 10.855 1.00 0.00 H new ATOM 605 N LEU A 44 7.108 -4.244 8.132 1.00 0.00 N ATOM 606 CA LEU A 44 6.624 -5.394 7.375 1.00 0.00 C ATOM 607 C LEU A 44 6.969 -6.698 8.086 1.00 0.00 C ATOM 608 O LEU A 44 7.908 -6.755 8.881 1.00 0.00 O ATOM 609 CB LEU A 44 7.225 -5.392 5.969 1.00 0.00 C ATOM 610 CG LEU A 44 6.843 -4.210 5.077 1.00 0.00 C ATOM 611 CD1 LEU A 44 7.482 -4.348 3.704 1.00 0.00 C ATOM 612 CD2 LEU A 44 5.330 -4.101 4.955 1.00 0.00 C ATOM 0 H LEU A 44 8.049 -4.354 8.510 1.00 0.00 H new ATOM 0 HA LEU A 44 5.539 -5.319 7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.311 -5.417 6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.926 -6.312 5.467 1.00 0.00 H new ATOM 0 HG LEU A 44 7.217 -3.296 5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.199 -3.498 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.567 -4.375 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.139 -5.270 3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.076 -3.255 4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.933 -5.017 4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.895 -3.953 5.943 1.00 0.00 H new ATOM 624 N LEU A 45 6.205 -7.745 7.794 1.00 0.00 N ATOM 625 CA LEU A 45 6.430 -9.051 8.403 1.00 0.00 C ATOM 626 C LEU A 45 7.148 -9.987 7.436 1.00 0.00 C ATOM 627 O LEU A 45 6.521 -10.614 6.582 1.00 0.00 O ATOM 628 CB LEU A 45 5.100 -9.670 8.837 1.00 0.00 C ATOM 629 CG LEU A 45 5.187 -10.783 9.882 1.00 0.00 C ATOM 630 CD1 LEU A 45 3.872 -10.914 10.634 1.00 0.00 C ATOM 631 CD2 LEU A 45 5.560 -12.104 9.223 1.00 0.00 C ATOM 0 H LEU A 45 5.424 -7.715 7.139 1.00 0.00 H new ATOM 0 HA LEU A 45 7.062 -8.911 9.280 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.465 -8.877 9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.601 -10.067 7.953 1.00 0.00 H new ATOM 0 HG LEU A 45 5.967 -10.523 10.598 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.953 -11.711 11.373 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.645 -9.974 11.137 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.073 -11.151 9.931 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.618 -12.885 9.981 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.803 -12.369 8.485 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.527 -12.004 8.730 1.00 0.00 H new ATOM 643 N HIS A 46 8.467 -10.077 7.576 1.00 0.00 N ATOM 644 CA HIS A 46 9.270 -10.939 6.716 1.00 0.00 C ATOM 645 C HIS A 46 8.641 -12.323 6.595 1.00 0.00 C ATOM 646 O HIS A 46 8.795 -13.166 7.478 1.00 0.00 O ATOM 647 CB HIS A 46 10.692 -11.058 7.264 1.00 0.00 C ATOM 648 CG HIS A 46 11.566 -9.890 6.925 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.339 -9.072 5.838 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.671 -9.403 7.536 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.267 -8.133 5.795 1.00 0.00 C ATOM 652 NE2 HIS A 46 13.088 -8.312 6.815 1.00 0.00 N ATOM 0 H HIS A 46 9.002 -9.564 8.277 1.00 0.00 H new ATOM 0 HA HIS A 46 9.307 -10.489 5.724 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.647 -11.165 8.348 1.00 0.00 H new ATOM 0 HB3 HIS A 46 11.148 -11.968 6.873 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.138 -9.799 8.426 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.342 -7.352 5.053 1.00 0.00 H new ATOM 0 HE2 HIS A 46 13.900 -7.733 7.031 1.00 0.00 H new ATOM 660 N GLY A 47 7.930 -12.551 5.494 1.00 0.00 N ATOM 661 CA GLY A 47 7.288 -13.834 5.278 1.00 0.00 C ATOM 662 C GLY A 47 5.870 -13.693 4.760 1.00 0.00 C ATOM 663 O GLY A 47 5.331 -14.613 4.148 1.00 0.00 O ATOM 0 H GLY A 47 7.788 -11.870 4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.875 -14.415 4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.276 -14.393 6.214 1.00 0.00 H new ATOM 667 N GLY A 48 5.263 -12.536 5.009 1.00 0.00 N ATOM 668 CA GLY A 48 3.904 -12.299 4.558 1.00 0.00 C ATOM 669 C GLY A 48 3.766 -12.407 3.052 1.00 0.00 C ATOM 670 O GLY A 48 4.749 -12.552 2.326 1.00 0.00 O ATOM 0 H GLY A 48 5.688 -11.759 5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.236 -13.017 5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.586 -11.307 4.879 1.00 0.00 H new ATOM 674 N PRO A 49 2.519 -12.337 2.562 1.00 0.00 N ATOM 675 CA PRO A 49 2.226 -12.426 1.129 1.00 0.00 C ATOM 676 C PRO A 49 2.701 -11.197 0.362 1.00 0.00 C ATOM 677 O PRO A 49 3.044 -11.283 -0.817 1.00 0.00 O ATOM 678 CB PRO A 49 0.699 -12.526 1.085 1.00 0.00 C ATOM 679 CG PRO A 49 0.240 -11.874 2.343 1.00 0.00 C ATOM 680 CD PRO A 49 1.300 -12.164 3.370 1.00 0.00 C ATOM 0 HA PRO A 49 2.736 -13.268 0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.294 -12.022 0.207 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.372 -13.564 1.035 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.115 -10.800 2.203 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.726 -12.269 2.657 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.403 -11.346 4.083 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.068 -13.061 3.945 1.00 0.00 H new ATOM 688 N ALA A 50 2.720 -10.053 1.039 1.00 0.00 N ATOM 689 CA ALA A 50 3.156 -8.807 0.421 1.00 0.00 C ATOM 690 C ALA A 50 4.669 -8.644 0.524 1.00 0.00 C ATOM 691 O ALA A 50 5.314 -8.161 -0.406 1.00 0.00 O ATOM 692 CB ALA A 50 2.450 -7.623 1.066 1.00 0.00 C ATOM 0 H ALA A 50 2.439 -9.964 2.015 1.00 0.00 H new ATOM 0 HA ALA A 50 2.892 -8.842 -0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.785 -6.699 0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.373 -7.727 0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.686 -7.594 2.130 1.00 0.00 H new ATOM 698 N GLU A 51 5.228 -9.049 1.660 1.00 0.00 N ATOM 699 CA GLU A 51 6.665 -8.945 1.883 1.00 0.00 C ATOM 700 C GLU A 51 7.425 -9.926 0.995 1.00 0.00 C ATOM 701 O GLU A 51 8.400 -9.558 0.338 1.00 0.00 O ATOM 702 CB GLU A 51 6.996 -9.209 3.353 1.00 0.00 C ATOM 703 CG GLU A 51 8.474 -9.076 3.677 1.00 0.00 C ATOM 704 CD GLU A 51 9.251 -10.346 3.389 1.00 0.00 C ATOM 705 OE1 GLU A 51 8.612 -11.375 3.083 1.00 0.00 O ATOM 706 OE2 GLU A 51 10.497 -10.312 3.469 1.00 0.00 O ATOM 0 H GLU A 51 4.708 -9.452 2.440 1.00 0.00 H new ATOM 0 HA GLU A 51 6.975 -7.932 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.432 -8.513 3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.664 -10.213 3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.897 -8.256 3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.589 -8.815 4.729 1.00 0.00 H new ATOM 713 N ARG A 52 6.973 -11.175 0.981 1.00 0.00 N ATOM 714 CA ARG A 52 7.611 -12.210 0.176 1.00 0.00 C ATOM 715 C ARG A 52 7.946 -11.685 -1.217 1.00 0.00 C ATOM 716 O ARG A 52 8.898 -12.141 -1.851 1.00 0.00 O ATOM 717 CB ARG A 52 6.700 -13.434 0.066 1.00 0.00 C ATOM 718 CG ARG A 52 5.509 -13.226 -0.855 1.00 0.00 C ATOM 719 CD ARG A 52 5.015 -14.544 -1.433 1.00 0.00 C ATOM 720 NE ARG A 52 4.735 -15.528 -0.391 1.00 0.00 N ATOM 721 CZ ARG A 52 4.560 -16.823 -0.631 1.00 0.00 C ATOM 722 NH1 ARG A 52 4.636 -17.286 -1.871 1.00 0.00 N ATOM 723 NH2 ARG A 52 4.309 -17.656 0.370 1.00 0.00 N ATOM 0 H ARG A 52 6.167 -11.495 1.518 1.00 0.00 H new ATOM 0 HA ARG A 52 8.539 -12.499 0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.285 -14.280 -0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.338 -13.698 1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.702 -12.744 -0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.788 -12.553 -1.666 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.112 -14.368 -2.017 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.764 -14.943 -2.117 1.00 0.00 H new ATOM 0 HE ARG A 52 4.670 -15.203 0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.829 -16.648 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.501 -18.281 -2.053 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.250 -17.303 1.325 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.175 -18.650 0.185 1.00 0.00 H new ATOM 737 N SER A 53 7.157 -10.725 -1.688 1.00 0.00 N ATOM 738 CA SER A 53 7.367 -10.141 -3.008 1.00 0.00 C ATOM 739 C SER A 53 8.821 -9.715 -3.188 1.00 0.00 C ATOM 740 O SER A 53 9.413 -9.920 -4.247 1.00 0.00 O ATOM 741 CB SER A 53 6.443 -8.939 -3.210 1.00 0.00 C ATOM 742 OG SER A 53 6.910 -7.810 -2.491 1.00 0.00 O ATOM 0 H SER A 53 6.366 -10.335 -1.175 1.00 0.00 H new ATOM 0 HA SER A 53 7.133 -10.899 -3.755 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.381 -8.698 -4.271 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.435 -9.192 -2.881 1.00 0.00 H new ATOM 0 HG SER A 53 6.588 -7.855 -1.566 1.00 0.00 H new ATOM 748 N GLY A 54 9.391 -9.120 -2.144 1.00 0.00 N ATOM 749 CA GLY A 54 10.771 -8.674 -2.207 1.00 0.00 C ATOM 750 C GLY A 54 10.900 -7.262 -2.742 1.00 0.00 C ATOM 751 O GLY A 54 11.782 -6.512 -2.327 1.00 0.00 O ATOM 0 H GLY A 54 8.922 -8.939 -1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.211 -8.724 -1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.340 -9.353 -2.842 1.00 0.00 H new ATOM 755 N ALA A 55 10.018 -6.899 -3.668 1.00 0.00 N ATOM 756 CA ALA A 55 10.037 -5.567 -4.261 1.00 0.00 C ATOM 757 C ALA A 55 9.458 -4.532 -3.303 1.00 0.00 C ATOM 758 O ALA A 55 9.923 -3.392 -3.249 1.00 0.00 O ATOM 759 CB ALA A 55 9.268 -5.563 -5.574 1.00 0.00 C ATOM 0 H ALA A 55 9.282 -7.509 -4.024 1.00 0.00 H new ATOM 0 HA ALA A 55 11.075 -5.299 -4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.290 -4.562 -6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.728 -6.268 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.234 -5.856 -5.391 1.00 0.00 H new ATOM 765 N LEU A 56 8.441 -4.934 -2.549 1.00 0.00 N ATOM 766 CA LEU A 56 7.797 -4.040 -1.593 1.00 0.00 C ATOM 767 C LEU A 56 8.504 -4.087 -0.242 1.00 0.00 C ATOM 768 O LEU A 56 8.442 -5.090 0.468 1.00 0.00 O ATOM 769 CB LEU A 56 6.324 -4.417 -1.423 1.00 0.00 C ATOM 770 CG LEU A 56 5.548 -4.685 -2.713 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.411 -5.662 -2.458 1.00 0.00 C ATOM 772 CD2 LEU A 56 5.015 -3.384 -3.294 1.00 0.00 C ATOM 0 H LEU A 56 8.044 -5.873 -2.581 1.00 0.00 H new ATOM 0 HA LEU A 56 7.863 -3.024 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.267 -5.307 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.824 -3.614 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 56 6.228 -5.132 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.870 -5.841 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.816 -6.603 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.731 -5.243 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.465 -3.594 -4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.350 -2.909 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.848 -2.716 -3.514 1.00 0.00 H new ATOM 784 N SER A 57 9.175 -2.994 0.107 1.00 0.00 N ATOM 785 CA SER A 57 9.896 -2.910 1.372 1.00 0.00 C ATOM 786 C SER A 57 9.551 -1.620 2.110 1.00 0.00 C ATOM 787 O SER A 57 9.112 -0.643 1.502 1.00 0.00 O ATOM 788 CB SER A 57 11.405 -2.985 1.130 1.00 0.00 C ATOM 789 OG SER A 57 11.809 -2.056 0.139 1.00 0.00 O ATOM 0 H SER A 57 9.234 -2.154 -0.469 1.00 0.00 H new ATOM 0 HA SER A 57 9.592 -3.754 1.991 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.936 -2.783 2.060 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.677 -3.994 0.820 1.00 0.00 H new ATOM 0 HG SER A 57 12.777 -2.122 0.004 1.00 0.00 H new ATOM 795 N ILE A 58 9.754 -1.625 3.423 1.00 0.00 N ATOM 796 CA ILE A 58 9.466 -0.455 4.244 1.00 0.00 C ATOM 797 C ILE A 58 9.862 0.831 3.526 1.00 0.00 C ATOM 798 O ILE A 58 10.946 0.926 2.954 1.00 0.00 O ATOM 799 CB ILE A 58 10.200 -0.522 5.596 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.725 -1.735 6.399 1.00 0.00 C ATOM 801 CG2 ILE A 58 9.978 0.761 6.383 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.714 -2.188 7.450 1.00 0.00 C ATOM 0 H ILE A 58 10.116 -2.425 3.941 1.00 0.00 H new ATOM 0 HA ILE A 58 8.391 -0.452 4.423 1.00 0.00 H new ATOM 0 HB ILE A 58 11.268 -0.630 5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.779 -1.493 6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.531 -2.561 5.714 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.503 0.699 7.336 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.360 1.608 5.813 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.912 0.897 6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.312 -3.051 7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.654 -2.462 6.971 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.890 -1.378 8.157 1.00 0.00 H new ATOM 814 N GLY A 59 8.974 1.820 3.563 1.00 0.00 N ATOM 815 CA GLY A 59 9.249 3.089 2.915 1.00 0.00 C ATOM 816 C GLY A 59 8.370 3.323 1.702 1.00 0.00 C ATOM 817 O GLY A 59 7.660 4.326 1.626 1.00 0.00 O ATOM 0 H GLY A 59 8.069 1.765 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.100 3.898 3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.296 3.120 2.613 1.00 0.00 H new ATOM 821 N ASP A 60 8.419 2.397 0.751 1.00 0.00 N ATOM 822 CA ASP A 60 7.621 2.507 -0.465 1.00 0.00 C ATOM 823 C ASP A 60 6.271 3.155 -0.172 1.00 0.00 C ATOM 824 O ASP A 60 5.603 2.808 0.802 1.00 0.00 O ATOM 825 CB ASP A 60 7.413 1.128 -1.091 1.00 0.00 C ATOM 826 CG ASP A 60 8.650 0.626 -1.810 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.735 0.617 -1.190 1.00 0.00 O ATOM 828 OD2 ASP A 60 8.534 0.242 -2.993 1.00 0.00 O ATOM 0 H ASP A 60 9.003 1.562 0.798 1.00 0.00 H new ATOM 0 HA ASP A 60 8.162 3.139 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.135 0.417 -0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.581 1.173 -1.794 1.00 0.00 H new ATOM 833 N ARG A 61 5.876 4.098 -1.021 1.00 0.00 N ATOM 834 CA ARG A 61 4.608 4.796 -0.852 1.00 0.00 C ATOM 835 C ARG A 61 3.488 4.077 -1.599 1.00 0.00 C ATOM 836 O ARG A 61 3.652 3.680 -2.753 1.00 0.00 O ATOM 837 CB ARG A 61 4.724 6.238 -1.350 1.00 0.00 C ATOM 838 CG ARG A 61 4.466 6.390 -2.840 1.00 0.00 C ATOM 839 CD ARG A 61 2.995 6.647 -3.127 1.00 0.00 C ATOM 840 NE ARG A 61 2.680 8.073 -3.136 1.00 0.00 N ATOM 841 CZ ARG A 61 1.454 8.556 -2.972 1.00 0.00 C ATOM 842 NH1 ARG A 61 0.432 7.732 -2.786 1.00 0.00 N ATOM 843 NH2 ARG A 61 1.247 9.867 -2.992 1.00 0.00 N ATOM 0 H ARG A 61 6.416 4.396 -1.833 1.00 0.00 H new ATOM 0 HA ARG A 61 4.366 4.805 0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.017 6.861 -0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.722 6.613 -1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.064 7.213 -3.232 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.787 5.487 -3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.732 6.212 -4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.386 6.146 -2.375 1.00 0.00 H new ATOM 0 HE ARG A 61 3.444 8.734 -3.276 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.586 6.724 -2.769 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.509 8.106 -2.660 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.030 10.505 -3.134 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.305 10.237 -2.866 1.00 0.00 H new ATOM 857 N LEU A 62 2.350 3.912 -0.933 1.00 0.00 N ATOM 858 CA LEU A 62 1.203 3.241 -1.533 1.00 0.00 C ATOM 859 C LEU A 62 0.235 4.252 -2.137 1.00 0.00 C ATOM 860 O LEU A 62 -0.021 5.308 -1.557 1.00 0.00 O ATOM 861 CB LEU A 62 0.481 2.389 -0.487 1.00 0.00 C ATOM 862 CG LEU A 62 -0.688 1.547 -0.998 1.00 0.00 C ATOM 863 CD1 LEU A 62 -0.922 0.351 -0.089 1.00 0.00 C ATOM 864 CD2 LEU A 62 -1.949 2.394 -1.103 1.00 0.00 C ATOM 0 H LEU A 62 2.198 4.234 0.023 1.00 0.00 H new ATOM 0 HA LEU A 62 1.568 2.594 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.209 1.722 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.112 3.049 0.298 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.438 1.178 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.758 -0.237 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.025 -0.268 -0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.151 0.699 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.771 1.779 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.203 2.792 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.777 3.218 -1.795 1.00 0.00 H new ATOM 876 N THR A 63 -0.304 3.922 -3.307 1.00 0.00 N ATOM 877 CA THR A 63 -1.245 4.801 -3.990 1.00 0.00 C ATOM 878 C THR A 63 -2.646 4.199 -4.008 1.00 0.00 C ATOM 879 O THR A 63 -3.640 4.915 -3.899 1.00 0.00 O ATOM 880 CB THR A 63 -0.801 5.083 -5.438 1.00 0.00 C ATOM 881 OG1 THR A 63 -0.930 3.896 -6.229 1.00 0.00 O ATOM 882 CG2 THR A 63 0.639 5.571 -5.477 1.00 0.00 C ATOM 0 H THR A 63 -0.105 3.052 -3.801 1.00 0.00 H new ATOM 0 HA THR A 63 -1.262 5.738 -3.434 1.00 0.00 H new ATOM 0 HB THR A 63 -1.443 5.863 -5.847 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.313 3.212 -5.895 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.930 5.763 -6.510 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.728 6.490 -4.898 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.293 4.810 -5.052 1.00 0.00 H new ATOM 890 N ALA A 64 -2.716 2.879 -4.146 1.00 0.00 N ATOM 891 CA ALA A 64 -3.995 2.181 -4.175 1.00 0.00 C ATOM 892 C ALA A 64 -3.820 0.702 -3.848 1.00 0.00 C ATOM 893 O ALA A 64 -2.697 0.210 -3.736 1.00 0.00 O ATOM 894 CB ALA A 64 -4.657 2.349 -5.534 1.00 0.00 C ATOM 0 H ALA A 64 -1.902 2.272 -4.239 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.639 2.621 -3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.611 1.823 -5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.825 3.408 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.009 1.937 -6.308 1.00 0.00 H new ATOM 900 N ILE A 65 -4.937 -0.002 -3.697 1.00 0.00 N ATOM 901 CA ILE A 65 -4.907 -1.425 -3.384 1.00 0.00 C ATOM 902 C ILE A 65 -6.006 -2.175 -4.128 1.00 0.00 C ATOM 903 O ILE A 65 -7.189 -2.030 -3.820 1.00 0.00 O ATOM 904 CB ILE A 65 -5.065 -1.672 -1.872 1.00 0.00 C ATOM 905 CG1 ILE A 65 -3.838 -1.154 -1.118 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.276 -3.154 -1.597 1.00 0.00 C ATOM 907 CD1 ILE A 65 -3.919 -1.358 0.379 1.00 0.00 C ATOM 0 H ILE A 65 -5.874 0.390 -3.786 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.935 -1.798 -3.705 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.941 -1.128 -1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.949 -1.657 -1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.716 -0.091 -1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.386 -3.313 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.176 -3.494 -2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.417 -3.718 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.016 -0.968 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.789 -0.832 0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.010 -2.422 0.597 1.00 0.00 H new ATOM 919 N ASN A 66 -5.608 -2.980 -5.108 1.00 0.00 N ATOM 920 CA ASN A 66 -6.559 -3.755 -5.895 1.00 0.00 C ATOM 921 C ASN A 66 -7.522 -2.837 -6.643 1.00 0.00 C ATOM 922 O ASN A 66 -8.662 -3.208 -6.917 1.00 0.00 O ATOM 923 CB ASN A 66 -7.344 -4.708 -4.992 1.00 0.00 C ATOM 924 CG ASN A 66 -6.456 -5.752 -4.342 1.00 0.00 C ATOM 925 OD1 ASN A 66 -5.905 -6.622 -5.017 1.00 0.00 O ATOM 926 ND2 ASN A 66 -6.312 -5.669 -3.025 1.00 0.00 N ATOM 0 H ASN A 66 -4.633 -3.112 -5.376 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.998 -4.337 -6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.852 -4.134 -4.217 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.116 -5.206 -5.578 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.726 -6.343 -2.533 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.788 -4.931 -2.505 1.00 0.00 H new ATOM 933 N GLY A 67 -7.053 -1.637 -6.969 1.00 0.00 N ATOM 934 CA GLY A 67 -7.884 -0.684 -7.682 1.00 0.00 C ATOM 935 C GLY A 67 -8.716 0.172 -6.749 1.00 0.00 C ATOM 936 O GLY A 67 -9.876 0.471 -7.036 1.00 0.00 O ATOM 0 H GLY A 67 -6.112 -1.307 -6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.251 -0.040 -8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.544 -1.221 -8.363 1.00 0.00 H new ATOM 940 N THR A 68 -8.125 0.567 -5.625 1.00 0.00 N ATOM 941 CA THR A 68 -8.820 1.391 -4.645 1.00 0.00 C ATOM 942 C THR A 68 -7.989 2.610 -4.263 1.00 0.00 C ATOM 943 O THR A 68 -7.146 2.544 -3.369 1.00 0.00 O ATOM 944 CB THR A 68 -9.150 0.590 -3.371 1.00 0.00 C ATOM 945 OG1 THR A 68 -10.061 -0.471 -3.681 1.00 0.00 O ATOM 946 CG2 THR A 68 -9.758 1.492 -2.307 1.00 0.00 C ATOM 0 H THR A 68 -7.166 0.329 -5.371 1.00 0.00 H new ATOM 0 HA THR A 68 -9.749 1.719 -5.111 1.00 0.00 H new ATOM 0 HB THR A 68 -8.222 0.170 -2.982 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.264 -0.976 -2.866 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.983 0.904 -1.417 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.051 2.281 -2.052 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.677 1.937 -2.689 1.00 0.00 H new ATOM 954 N SER A 69 -8.232 3.724 -4.947 1.00 0.00 N ATOM 955 CA SER A 69 -7.503 4.959 -4.682 1.00 0.00 C ATOM 956 C SER A 69 -7.420 5.229 -3.183 1.00 0.00 C ATOM 957 O SER A 69 -8.439 5.424 -2.518 1.00 0.00 O ATOM 958 CB SER A 69 -8.178 6.136 -5.388 1.00 0.00 C ATOM 959 OG SER A 69 -9.590 6.030 -5.320 1.00 0.00 O ATOM 0 H SER A 69 -8.928 3.796 -5.689 1.00 0.00 H new ATOM 0 HA SER A 69 -6.491 4.845 -5.069 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.858 7.071 -4.929 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.862 6.168 -6.431 1.00 0.00 H new ATOM 0 HG SER A 69 -9.998 6.795 -5.777 1.00 0.00 H new ATOM 965 N LEU A 70 -6.201 5.239 -2.656 1.00 0.00 N ATOM 966 CA LEU A 70 -5.983 5.486 -1.235 1.00 0.00 C ATOM 967 C LEU A 70 -5.281 6.822 -1.016 1.00 0.00 C ATOM 968 O LEU A 70 -5.390 7.424 0.053 1.00 0.00 O ATOM 969 CB LEU A 70 -5.154 4.355 -0.622 1.00 0.00 C ATOM 970 CG LEU A 70 -5.922 3.085 -0.253 1.00 0.00 C ATOM 971 CD1 LEU A 70 -5.050 2.157 0.579 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.200 3.433 0.496 1.00 0.00 C ATOM 0 H LEU A 70 -5.348 5.079 -3.192 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.956 5.523 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.365 4.087 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.666 4.734 0.276 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.194 2.567 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.613 1.259 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.164 1.881 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.747 2.666 1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.733 2.517 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.951 3.973 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.832 4.058 -0.134 1.00 0.00 H new ATOM 984 N VAL A 71 -4.562 7.282 -2.035 1.00 0.00 N ATOM 985 CA VAL A 71 -3.845 8.549 -1.955 1.00 0.00 C ATOM 986 C VAL A 71 -4.798 9.702 -1.660 1.00 0.00 C ATOM 987 O VAL A 71 -5.664 10.028 -2.471 1.00 0.00 O ATOM 988 CB VAL A 71 -3.085 8.847 -3.261 1.00 0.00 C ATOM 989 CG1 VAL A 71 -3.993 8.651 -4.465 1.00 0.00 C ATOM 990 CG2 VAL A 71 -2.516 10.258 -3.236 1.00 0.00 C ATOM 0 H VAL A 71 -4.461 6.796 -2.926 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.128 8.456 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.255 8.146 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.438 8.866 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.347 7.620 -4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.846 9.326 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.982 10.452 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.329 10.976 -3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.829 10.358 -2.396 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.632 10.317 -0.493 1.00 0.00 N ATOM 1001 CA GLY A 72 -5.484 11.428 -0.112 1.00 0.00 C ATOM 1002 C GLY A 72 -6.339 11.113 1.100 1.00 0.00 C ATOM 1003 O GLY A 72 -6.733 12.014 1.842 1.00 0.00 O ATOM 0 H GLY A 72 -3.923 10.065 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.866 12.300 0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.130 11.691 -0.950 1.00 0.00 H new ATOM 1007 N LEU A 73 -6.629 9.832 1.301 1.00 0.00 N ATOM 1008 CA LEU A 73 -7.445 9.401 2.431 1.00 0.00 C ATOM 1009 C LEU A 73 -6.598 9.260 3.691 1.00 0.00 C ATOM 1010 O LEU A 73 -5.394 9.010 3.635 1.00 0.00 O ATOM 1011 CB LEU A 73 -8.130 8.071 2.111 1.00 0.00 C ATOM 1012 CG LEU A 73 -9.237 8.122 1.058 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -9.491 6.737 0.483 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -10.514 8.697 1.654 1.00 0.00 C ATOM 0 H LEU A 73 -6.311 9.074 0.697 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.206 10.161 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.370 7.365 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.552 7.671 3.033 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.912 8.775 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.282 6.793 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.579 6.363 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.795 6.061 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.291 8.726 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.843 8.070 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.324 9.707 2.016 1.00 0.00 H new ATOM 1026 N PRO A 74 -7.241 9.421 4.857 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.567 9.314 6.155 1.00 0.00 C ATOM 1028 C PRO A 74 -6.146 7.883 6.473 1.00 0.00 C ATOM 1029 O PRO A 74 -6.761 6.925 6.002 1.00 0.00 O ATOM 1030 CB PRO A 74 -7.629 9.792 7.147 1.00 0.00 C ATOM 1031 CG PRO A 74 -8.929 9.526 6.469 1.00 0.00 C ATOM 1032 CD PRO A 74 -8.676 9.721 4.999 1.00 0.00 C ATOM 0 HA PRO A 74 -5.645 9.895 6.185 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.558 9.254 8.092 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.510 10.852 7.374 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.276 8.513 6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.702 10.207 6.826 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.288 9.052 4.394 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.907 10.738 4.683 1.00 0.00 H new ATOM 1040 N LEU A 75 -5.096 7.744 7.274 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.593 6.429 7.655 1.00 0.00 C ATOM 1042 C LEU A 75 -5.742 5.477 7.971 1.00 0.00 C ATOM 1043 O LEU A 75 -5.796 4.361 7.456 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.666 6.547 8.866 1.00 0.00 C ATOM 1045 CG LEU A 75 -3.171 5.230 9.464 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -2.123 4.595 8.563 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.610 5.455 10.861 1.00 0.00 C ATOM 0 H LEU A 75 -4.576 8.526 7.672 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.031 6.024 6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.798 7.141 8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.188 7.103 9.645 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.017 4.547 9.540 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.782 3.659 9.005 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.557 4.397 7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.277 5.274 8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.263 4.507 11.271 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.776 6.155 10.810 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.389 5.864 11.504 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.660 5.928 8.820 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.811 5.118 9.202 1.00 0.00 C ATOM 1061 C ALA A 76 -8.397 4.395 7.994 1.00 0.00 C ATOM 1062 O ALA A 76 -8.645 3.190 8.041 1.00 0.00 O ATOM 1063 CB ALA A 76 -8.870 5.986 9.865 1.00 0.00 C ATOM 0 H ALA A 76 -6.629 6.849 9.256 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.475 4.366 9.916 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.723 5.369 10.145 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.452 6.453 10.757 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.195 6.759 9.169 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.618 5.138 6.915 1.00 0.00 N ATOM 1070 CA ALA A 77 -9.175 4.566 5.695 1.00 0.00 C ATOM 1071 C ALA A 77 -8.302 3.430 5.173 1.00 0.00 C ATOM 1072 O ALA A 77 -8.784 2.320 4.943 1.00 0.00 O ATOM 1073 CB ALA A 77 -9.333 5.643 4.632 1.00 0.00 C ATOM 0 H ALA A 77 -8.420 6.137 6.861 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.157 4.156 5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.750 5.202 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.003 6.421 4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.359 6.079 4.408 1.00 0.00 H new ATOM 1079 N CYS A 78 -7.018 3.713 4.989 1.00 0.00 N ATOM 1080 CA CYS A 78 -6.078 2.715 4.492 1.00 0.00 C ATOM 1081 C CYS A 78 -6.068 1.483 5.392 1.00 0.00 C ATOM 1082 O CYS A 78 -6.056 0.351 4.909 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.671 3.308 4.404 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.539 4.735 3.303 1.00 0.00 S ATOM 0 H CYS A 78 -6.603 4.626 5.177 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.400 2.413 3.495 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.349 3.602 5.403 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.983 2.534 4.063 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.313 5.167 3.297 1.00 0.00 H new ATOM 1090 N GLN A 79 -6.072 1.712 6.701 1.00 0.00 N ATOM 1091 CA GLN A 79 -6.061 0.621 7.667 1.00 0.00 C ATOM 1092 C GLN A 79 -7.292 -0.264 7.503 1.00 0.00 C ATOM 1093 O GLN A 79 -7.193 -1.491 7.519 1.00 0.00 O ATOM 1094 CB GLN A 79 -6.003 1.174 9.092 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.602 1.562 9.538 1.00 0.00 C ATOM 1096 CD GLN A 79 -3.648 0.384 9.557 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -4.066 -0.770 9.453 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -2.358 0.668 9.689 1.00 0.00 N ATOM 0 H GLN A 79 -6.083 2.643 7.117 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.173 0.016 7.483 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.652 2.047 9.161 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.400 0.427 9.779 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.212 2.330 8.870 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.651 2.001 10.534 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.055 1.639 9.772 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.669 -0.084 9.707 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.451 0.366 7.344 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.701 -0.364 7.175 1.00 0.00 C ATOM 1109 C ALA A 80 -9.713 -1.135 5.859 1.00 0.00 C ATOM 1110 O ALA A 80 -10.210 -2.258 5.792 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.884 0.591 7.240 1.00 0.00 C ATOM 0 H ALA A 80 -8.550 1.381 7.329 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.785 -1.084 7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.811 0.032 7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.894 1.093 8.207 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.796 1.334 6.447 1.00 0.00 H new ATOM 1117 N ALA A 81 -9.163 -0.523 4.816 1.00 0.00 N ATOM 1118 CA ALA A 81 -9.109 -1.152 3.502 1.00 0.00 C ATOM 1119 C ALA A 81 -8.152 -2.340 3.501 1.00 0.00 C ATOM 1120 O ALA A 81 -8.544 -3.465 3.192 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.695 -0.137 2.447 1.00 0.00 C ATOM 0 H ALA A 81 -8.748 0.408 4.855 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.106 -1.522 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.659 -0.621 1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.419 0.677 2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.710 0.261 2.691 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.896 -2.081 3.848 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.883 -3.129 3.888 1.00 0.00 C ATOM 1129 C VAL A 82 -6.338 -4.302 4.749 1.00 0.00 C ATOM 1130 O VAL A 82 -5.861 -5.425 4.588 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.544 -2.596 4.432 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.653 -2.300 5.921 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.424 -3.588 4.158 1.00 0.00 C ATOM 0 H VAL A 82 -6.555 -1.155 4.106 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.740 -3.469 2.862 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.307 -1.665 3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.698 -1.924 6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.426 -1.550 6.087 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.913 -3.214 6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.486 -3.195 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.651 -4.537 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.332 -3.745 3.083 1.00 0.00 H new ATOM 1143 N ARG A 83 -7.265 -4.033 5.663 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.785 -5.066 6.551 1.00 0.00 C ATOM 1145 C ARG A 83 -8.822 -5.926 5.834 1.00 0.00 C ATOM 1146 O ARG A 83 -8.967 -7.112 6.128 1.00 0.00 O ATOM 1147 CB ARG A 83 -8.405 -4.432 7.797 1.00 0.00 C ATOM 1148 CG ARG A 83 -7.416 -4.226 8.932 1.00 0.00 C ATOM 1149 CD ARG A 83 -8.122 -4.137 10.277 1.00 0.00 C ATOM 1150 NE ARG A 83 -8.486 -2.764 10.614 1.00 0.00 N ATOM 1151 CZ ARG A 83 -7.607 -1.842 10.992 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -6.320 -2.146 11.080 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -8.016 -0.613 11.282 1.00 0.00 N ATOM 0 H ARG A 83 -7.671 -3.109 5.808 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.954 -5.704 6.852 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.840 -3.470 7.526 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.221 -5.064 8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.702 -5.050 8.948 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.846 -3.314 8.758 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.019 -4.755 10.257 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.474 -4.541 11.054 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.469 -2.498 10.556 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.002 -3.089 10.857 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.647 -1.437 11.370 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.006 -0.376 11.215 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.341 0.094 11.572 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.540 -5.319 4.895 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.564 -6.031 4.138 1.00 0.00 C ATOM 1169 C GLU A 84 -9.932 -7.037 3.181 1.00 0.00 C ATOM 1170 O GLU A 84 -10.474 -8.119 2.952 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.431 -5.042 3.357 1.00 0.00 C ATOM 1172 CG GLU A 84 -12.355 -4.215 4.237 1.00 0.00 C ATOM 1173 CD GLU A 84 -13.379 -5.062 4.966 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -14.222 -5.687 4.288 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -13.338 -5.101 6.213 1.00 0.00 O ATOM 0 H GLU A 84 -9.432 -4.337 4.640 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.191 -6.574 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.783 -4.371 2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.030 -5.592 2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.760 -3.664 4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.871 -3.477 3.623 1.00 0.00 H new ATOM 1182 N THR A 85 -8.782 -6.673 2.623 1.00 0.00 N ATOM 1183 CA THR A 85 -8.077 -7.541 1.689 1.00 0.00 C ATOM 1184 C THR A 85 -7.800 -8.906 2.309 1.00 0.00 C ATOM 1185 O THR A 85 -7.806 -9.926 1.619 1.00 0.00 O ATOM 1186 CB THR A 85 -6.744 -6.915 1.237 1.00 0.00 C ATOM 1187 OG1 THR A 85 -5.959 -6.556 2.379 1.00 0.00 O ATOM 1188 CG2 THR A 85 -6.988 -5.685 0.376 1.00 0.00 C ATOM 0 H THR A 85 -8.319 -5.782 2.802 1.00 0.00 H new ATOM 0 HA THR A 85 -8.725 -7.664 0.821 1.00 0.00 H new ATOM 0 HB THR A 85 -6.204 -7.653 0.643 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.489 -5.985 2.974 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.032 -5.260 0.069 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.560 -5.967 -0.508 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.547 -4.945 0.949 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.559 -8.919 3.615 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.282 -10.159 4.330 1.00 0.00 C ATOM 1198 C LYS A 86 -8.197 -11.281 3.849 1.00 0.00 C ATOM 1199 O LYS A 86 -7.765 -12.422 3.689 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.457 -9.954 5.836 1.00 0.00 C ATOM 1201 CG LYS A 86 -7.024 -11.149 6.668 1.00 0.00 C ATOM 1202 CD LYS A 86 -7.403 -10.979 8.129 1.00 0.00 C ATOM 1203 CE LYS A 86 -6.894 -12.135 8.976 1.00 0.00 C ATOM 1204 NZ LYS A 86 -7.281 -11.988 10.406 1.00 0.00 N ATOM 0 H LYS A 86 -7.550 -8.084 4.201 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.250 -10.443 4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.883 -9.080 6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.504 -9.737 6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.487 -12.054 6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.945 -11.280 6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.992 -10.042 8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.487 -10.911 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.291 -13.073 8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.808 -12.192 8.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.915 -12.796 10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.881 -11.106 10.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.318 -11.959 10.484 1.00 0.00 H new ATOM 1218 N SER A 87 -9.463 -10.947 3.620 1.00 0.00 N ATOM 1219 CA SER A 87 -10.440 -11.927 3.159 1.00 0.00 C ATOM 1220 C SER A 87 -10.057 -12.473 1.787 1.00 0.00 C ATOM 1221 O SER A 87 -10.046 -13.684 1.570 1.00 0.00 O ATOM 1222 CB SER A 87 -11.834 -11.300 3.100 1.00 0.00 C ATOM 1223 OG SER A 87 -12.248 -10.855 4.380 1.00 0.00 O ATOM 0 H SER A 87 -9.836 -10.006 3.746 1.00 0.00 H new ATOM 0 HA SER A 87 -10.451 -12.754 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.830 -10.461 2.404 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.548 -12.029 2.716 1.00 0.00 H new ATOM 0 HG SER A 87 -13.141 -10.457 4.315 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.743 -11.569 0.864 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.360 -11.959 -0.488 1.00 0.00 C ATOM 1231 C GLN A 88 -8.074 -12.779 -0.474 1.00 0.00 C ATOM 1232 O GLN A 88 -7.407 -12.891 0.556 1.00 0.00 O ATOM 1233 CB GLN A 88 -9.179 -10.721 -1.367 1.00 0.00 C ATOM 1234 CG GLN A 88 -10.177 -9.613 -1.069 1.00 0.00 C ATOM 1235 CD GLN A 88 -11.500 -10.142 -0.553 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -12.009 -11.153 -1.037 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -12.066 -9.460 0.436 1.00 0.00 N ATOM 0 H GLN A 88 -9.746 -10.562 1.028 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.159 -12.575 -0.901 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.169 -10.335 -1.233 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.273 -11.011 -2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.750 -8.933 -0.332 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.351 -9.033 -1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.609 -8.627 0.808 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.957 -9.769 0.824 1.00 0.00 H new ATOM 1246 N THR A 89 -7.730 -13.352 -1.623 1.00 0.00 N ATOM 1247 CA THR A 89 -6.525 -14.163 -1.743 1.00 0.00 C ATOM 1248 C THR A 89 -5.499 -13.492 -2.649 1.00 0.00 C ATOM 1249 O THR A 89 -4.420 -14.033 -2.887 1.00 0.00 O ATOM 1250 CB THR A 89 -6.844 -15.565 -2.296 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.565 -15.453 -3.528 1.00 0.00 O ATOM 1252 CG2 THR A 89 -7.661 -16.368 -1.296 1.00 0.00 C ATOM 0 H THR A 89 -8.270 -13.269 -2.485 1.00 0.00 H new ATOM 0 HA THR A 89 -6.110 -14.263 -0.740 1.00 0.00 H new ATOM 0 HB THR A 89 -5.902 -16.085 -2.472 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.763 -16.348 -3.874 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.874 -17.354 -1.709 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.097 -16.476 -0.369 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.598 -15.850 -1.092 1.00 0.00 H new ATOM 1260 N SER A 90 -5.843 -12.311 -3.152 1.00 0.00 N ATOM 1261 CA SER A 90 -4.952 -11.568 -4.036 1.00 0.00 C ATOM 1262 C SER A 90 -4.893 -10.097 -3.635 1.00 0.00 C ATOM 1263 O SER A 90 -5.902 -9.504 -3.253 1.00 0.00 O ATOM 1264 CB SER A 90 -5.418 -11.695 -5.488 1.00 0.00 C ATOM 1265 OG SER A 90 -5.095 -12.969 -6.018 1.00 0.00 O ATOM 0 H SER A 90 -6.732 -11.848 -2.963 1.00 0.00 H new ATOM 0 HA SER A 90 -3.952 -11.992 -3.945 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.495 -11.537 -5.543 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.951 -10.917 -6.092 1.00 0.00 H new ATOM 0 HG SER A 90 -5.405 -13.025 -6.946 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.702 -9.513 -3.726 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.510 -8.111 -3.375 1.00 0.00 C ATOM 1273 C VAL A 91 -2.515 -7.441 -4.315 1.00 0.00 C ATOM 1274 O VAL A 91 -1.342 -7.814 -4.367 1.00 0.00 O ATOM 1275 CB VAL A 91 -3.011 -7.959 -1.925 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -2.601 -6.521 -1.649 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -4.081 -8.415 -0.944 1.00 0.00 C ATOM 0 H VAL A 91 -2.856 -9.989 -4.040 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.481 -7.625 -3.471 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.134 -8.593 -1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.252 -6.433 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.800 -6.234 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.457 -5.863 -1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.712 -8.301 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.977 -7.809 -1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.321 -9.462 -1.128 1.00 0.00 H new ATOM 1287 N THR A 92 -2.990 -6.447 -5.060 1.00 0.00 N ATOM 1288 CA THR A 92 -2.143 -5.724 -6.000 1.00 0.00 C ATOM 1289 C THR A 92 -1.751 -4.357 -5.449 1.00 0.00 C ATOM 1290 O THR A 92 -2.570 -3.439 -5.399 1.00 0.00 O ATOM 1291 CB THR A 92 -2.845 -5.535 -7.358 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.200 -6.808 -7.908 1.00 0.00 O ATOM 1293 CG2 THR A 92 -1.946 -4.788 -8.332 1.00 0.00 C ATOM 0 H THR A 92 -3.957 -6.125 -5.030 1.00 0.00 H new ATOM 0 HA THR A 92 -1.246 -6.326 -6.143 1.00 0.00 H new ATOM 0 HB THR A 92 -3.748 -4.946 -7.197 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.783 -6.678 -8.685 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.463 -4.666 -9.284 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.702 -3.807 -7.923 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.028 -5.355 -8.487 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.495 -4.229 -5.036 1.00 0.00 N ATOM 1302 CA LEU A 93 0.006 -2.973 -4.488 1.00 0.00 C ATOM 1303 C LEU A 93 0.542 -2.072 -5.596 1.00 0.00 C ATOM 1304 O LEU A 93 1.179 -2.542 -6.539 1.00 0.00 O ATOM 1305 CB LEU A 93 1.104 -3.245 -3.460 1.00 0.00 C ATOM 1306 CG LEU A 93 0.711 -4.129 -2.275 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.883 -4.293 -1.320 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.493 -3.545 -1.551 1.00 0.00 C ATOM 0 H LEU A 93 0.195 -4.979 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.823 -2.462 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.946 -3.711 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.456 -2.289 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 93 0.439 -5.114 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.585 -4.925 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.718 -4.757 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.187 -3.315 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.759 -4.187 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.248 -2.548 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.336 -3.481 -2.239 1.00 0.00 H new ATOM 1320 N SER A 94 0.282 -0.774 -5.474 1.00 0.00 N ATOM 1321 CA SER A 94 0.737 0.194 -6.465 1.00 0.00 C ATOM 1322 C SER A 94 1.576 1.287 -5.811 1.00 0.00 C ATOM 1323 O SER A 94 1.159 1.899 -4.827 1.00 0.00 O ATOM 1324 CB SER A 94 -0.459 0.816 -7.188 1.00 0.00 C ATOM 1325 OG SER A 94 -1.071 -0.119 -8.059 1.00 0.00 O ATOM 0 H SER A 94 -0.242 -0.369 -4.698 1.00 0.00 H new ATOM 0 HA SER A 94 1.358 -0.331 -7.191 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.187 1.167 -6.457 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.132 1.687 -7.756 1.00 0.00 H new ATOM 0 HG SER A 94 -1.834 0.302 -8.508 1.00 0.00 H new ATOM 1331 N ILE A 95 2.759 1.528 -6.366 1.00 0.00 N ATOM 1332 CA ILE A 95 3.656 2.548 -5.839 1.00 0.00 C ATOM 1333 C ILE A 95 4.174 3.453 -6.951 1.00 0.00 C ATOM 1334 O ILE A 95 4.012 3.156 -8.135 1.00 0.00 O ATOM 1335 CB ILE A 95 4.855 1.919 -5.104 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.720 1.123 -6.084 1.00 0.00 C ATOM 1337 CG2 ILE A 95 4.372 1.027 -3.970 1.00 0.00 C ATOM 1338 CD1 ILE A 95 7.181 1.070 -5.694 1.00 0.00 C ATOM 0 H ILE A 95 3.118 1.030 -7.181 1.00 0.00 H new ATOM 0 HA ILE A 95 3.077 3.141 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 95 5.462 2.718 -4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.334 0.106 -6.154 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.633 1.566 -7.076 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.230 0.590 -3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.793 1.620 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.746 0.231 -4.374 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.734 0.490 -6.433 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.583 2.082 -5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.280 0.599 -4.716 1.00 0.00 H new ATOM 1350 N VAL A 96 4.801 4.560 -6.563 1.00 0.00 N ATOM 1351 CA VAL A 96 5.346 5.508 -7.528 1.00 0.00 C ATOM 1352 C VAL A 96 6.754 5.108 -7.955 1.00 0.00 C ATOM 1353 O VAL A 96 7.714 5.276 -7.202 1.00 0.00 O ATOM 1354 CB VAL A 96 5.382 6.936 -6.952 1.00 0.00 C ATOM 1355 CG1 VAL A 96 5.933 7.912 -7.980 1.00 0.00 C ATOM 1356 CG2 VAL A 96 3.994 7.360 -6.493 1.00 0.00 C ATOM 0 H VAL A 96 4.944 4.822 -5.588 1.00 0.00 H new ATOM 0 HA VAL A 96 4.687 5.491 -8.396 1.00 0.00 H new ATOM 0 HB VAL A 96 6.045 6.944 -6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.951 8.916 -7.556 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.945 7.617 -8.256 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.298 7.904 -8.866 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.038 8.371 -6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.308 7.337 -7.340 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.641 6.676 -5.721 1.00 0.00 H new ATOM 1366 N HIS A 97 6.871 4.579 -9.168 1.00 0.00 N ATOM 1367 CA HIS A 97 8.162 4.156 -9.697 1.00 0.00 C ATOM 1368 C HIS A 97 8.524 4.951 -10.949 1.00 0.00 C ATOM 1369 O HIS A 97 7.722 5.063 -11.877 1.00 0.00 O ATOM 1370 CB HIS A 97 8.142 2.661 -10.016 1.00 0.00 C ATOM 1371 CG HIS A 97 9.499 2.027 -10.003 1.00 0.00 C ATOM 1372 ND1 HIS A 97 9.725 0.742 -9.558 1.00 0.00 N ATOM 1373 CD2 HIS A 97 10.705 2.509 -10.384 1.00 0.00 C ATOM 1374 CE1 HIS A 97 11.011 0.461 -9.664 1.00 0.00 C ATOM 1375 NE2 HIS A 97 11.628 1.516 -10.164 1.00 0.00 N ATOM 0 H HIS A 97 6.087 4.433 -9.804 1.00 0.00 H new ATOM 0 HA HIS A 97 8.918 4.347 -8.936 1.00 0.00 H new ATOM 0 HB2 HIS A 97 7.505 2.152 -9.292 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.691 2.513 -10.997 1.00 0.00 H new ATOM 0 HD2 HIS A 97 10.904 3.491 -10.786 1.00 0.00 H new ATOM 0 HE1 HIS A 97 11.479 -0.473 -9.389 1.00 0.00 H new ATOM 0 HE2 HIS A 97 12.628 1.583 -10.356 1.00 0.00 H new ATOM 1383 N CYS A 98 9.733 5.501 -10.966 1.00 0.00 N ATOM 1384 CA CYS A 98 10.199 6.287 -12.103 1.00 0.00 C ATOM 1385 C CYS A 98 10.390 5.404 -13.332 1.00 0.00 C ATOM 1386 O CYS A 98 10.766 4.236 -13.236 1.00 0.00 O ATOM 1387 CB CYS A 98 11.512 6.992 -11.758 1.00 0.00 C ATOM 1388 SG CYS A 98 12.911 5.872 -11.519 1.00 0.00 S ATOM 0 H CYS A 98 10.408 5.417 -10.206 1.00 0.00 H new ATOM 0 HA CYS A 98 9.441 7.037 -12.330 1.00 0.00 H new ATOM 0 HB2 CYS A 98 11.755 7.695 -12.555 1.00 0.00 H new ATOM 0 HB3 CYS A 98 11.370 7.577 -10.850 1.00 0.00 H new ATOM 0 HG CYS A 98 12.661 4.735 -12.098 1.00 0.00 H new ATOM 1394 N PRO A 99 10.123 5.973 -14.517 1.00 0.00 N ATOM 1395 CA PRO A 99 10.257 5.256 -15.788 1.00 0.00 C ATOM 1396 C PRO A 99 11.713 4.971 -16.142 1.00 0.00 C ATOM 1397 O PRO A 99 12.603 5.792 -15.921 1.00 0.00 O ATOM 1398 CB PRO A 99 9.638 6.217 -16.805 1.00 0.00 C ATOM 1399 CG PRO A 99 9.789 7.566 -16.192 1.00 0.00 C ATOM 1400 CD PRO A 99 9.670 7.362 -14.707 1.00 0.00 C ATOM 0 HA PRO A 99 9.775 4.279 -15.757 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.149 6.159 -17.766 1.00 0.00 H new ATOM 0 HB3 PRO A 99 8.590 5.980 -16.987 1.00 0.00 H new ATOM 0 HG2 PRO A 99 10.752 8.006 -16.449 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.020 8.248 -16.555 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.291 8.067 -14.153 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.645 7.501 -14.363 1.00 0.00 H new ATOM 1408 N PRO A 100 11.963 3.780 -16.706 1.00 0.00 N ATOM 1409 CA PRO A 100 13.310 3.360 -17.104 1.00 0.00 C ATOM 1410 C PRO A 100 13.833 4.146 -18.301 1.00 0.00 C ATOM 1411 O PRO A 100 13.325 4.012 -19.414 1.00 0.00 O ATOM 1412 CB PRO A 100 13.128 1.885 -17.471 1.00 0.00 C ATOM 1413 CG PRO A 100 11.695 1.765 -17.856 1.00 0.00 C ATOM 1414 CD PRO A 100 10.951 2.751 -16.999 1.00 0.00 C ATOM 0 HA PRO A 100 14.040 3.530 -16.312 1.00 0.00 H new ATOM 0 HB2 PRO A 100 13.784 1.598 -18.293 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.368 1.235 -16.629 1.00 0.00 H new ATOM 0 HG2 PRO A 100 11.556 1.985 -18.914 1.00 0.00 H new ATOM 0 HG3 PRO A 100 11.330 0.751 -17.691 1.00 0.00 H new ATOM 0 HD2 PRO A 100 10.092 3.170 -17.522 1.00 0.00 H new ATOM 0 HD3 PRO A 100 10.574 2.287 -16.088 1.00 0.00 H new ATOM 1422 N VAL A 101 14.852 4.967 -18.065 1.00 0.00 N ATOM 1423 CA VAL A 101 15.444 5.774 -19.125 1.00 0.00 C ATOM 1424 C VAL A 101 16.034 4.894 -20.222 1.00 0.00 C ATOM 1425 O VAL A 101 17.214 4.545 -20.185 1.00 0.00 O ATOM 1426 CB VAL A 101 16.546 6.700 -18.577 1.00 0.00 C ATOM 1427 CG1 VAL A 101 17.296 7.371 -19.717 1.00 0.00 C ATOM 1428 CG2 VAL A 101 15.952 7.736 -17.635 1.00 0.00 C ATOM 0 H VAL A 101 15.284 5.090 -17.149 1.00 0.00 H new ATOM 0 HA VAL A 101 14.643 6.383 -19.543 1.00 0.00 H new ATOM 0 HB VAL A 101 17.257 6.096 -18.013 1.00 0.00 H new ATOM 0 HG11 VAL A 101 18.070 8.021 -19.310 1.00 0.00 H new ATOM 0 HG12 VAL A 101 17.756 6.610 -20.348 1.00 0.00 H new ATOM 0 HG13 VAL A 101 16.600 7.963 -20.311 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.745 8.382 -17.257 1.00 0.00 H new ATOM 0 HG22 VAL A 101 15.219 8.338 -18.172 1.00 0.00 H new ATOM 0 HG23 VAL A 101 15.466 7.232 -16.800 1.00 0.00 H new TER 1438 VAL A 101