USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 797 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 34 HIS : no HE2:sc= -6.55! C(o=-8.4!,f=-5!) USER MOD Set 1.2: A 94 LYS NZ :NH3+ 137:sc= -1.87 (180deg=0) USER MOD Set 2.1: A 53 GLN : amide:sc= 0.0316 K(o=0.19,f=-2.4!) USER MOD Set 2.2: A 61 TYR OH : rot -38:sc= 0.155 USER MOD Set 3.1: A 17 ASN : amide:sc= -2.79 K(o=-24,f=-6.8) USER MOD Set 3.2: A 19 ASN : amide:sc= -21.2! C(o=-24!,f=-6.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= -0.102 (180deg=-0.352) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 91:sc= 0.276 USER MOD Single : A 35 ASN : amide:sc= -5.72! C(o=-5.7!,f=-2.6!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.0805 X(o=-0.08,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.249 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 35:sc= -0.637 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.59! C(o=-2.6!,f=-3.9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= -3.42! USER MOD Single : A 78 LYS NZ :NH3+ -158:sc= 0.811 (180deg=0.678) USER MOD Single : A 82 LYS NZ :NH3+ 151:sc= -2.99! (180deg=-6.91!) USER MOD Single : A 85 MET CE :methyl -134:sc= -6.94! (180deg=-9.44!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.2) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.098 -32.964 -7.871 1.00 0.00 N ATOM 2 CA MET A 1 -7.931 -34.121 -7.612 1.00 0.00 C ATOM 3 C MET A 1 -7.960 -34.416 -6.119 1.00 0.00 C ATOM 4 O MET A 1 -8.183 -35.554 -5.711 1.00 0.00 O ATOM 5 CB MET A 1 -7.390 -35.319 -8.388 1.00 0.00 C ATOM 6 CG MET A 1 -7.787 -35.197 -9.855 1.00 0.00 C ATOM 7 SD MET A 1 -7.644 -36.741 -10.788 1.00 0.00 S ATOM 8 CE MET A 1 -7.758 -36.079 -12.468 1.00 0.00 C ATOM 0 H1 MET A 1 -6.861 -32.927 -8.883 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.611 -32.100 -7.604 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.223 -33.034 -7.313 1.00 0.00 H new ATOM 0 HA MET A 1 -8.950 -33.919 -7.941 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.305 -35.365 -8.297 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.784 -36.245 -7.969 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.816 -34.843 -9.914 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.162 -34.440 -10.328 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.688 -36.896 -13.186 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.712 -35.566 -12.593 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.943 -35.376 -12.638 1.00 0.00 H new ATOM 20 N SER A 2 -7.736 -33.383 -5.304 1.00 0.00 N ATOM 21 CA SER A 2 -7.740 -33.534 -3.862 1.00 0.00 C ATOM 22 C SER A 2 -7.910 -32.174 -3.200 1.00 0.00 C ATOM 23 O SER A 2 -6.956 -31.406 -3.096 1.00 0.00 O ATOM 24 CB SER A 2 -6.436 -34.191 -3.418 1.00 0.00 C ATOM 25 OG SER A 2 -6.675 -34.986 -2.277 1.00 0.00 O ATOM 0 H SER A 2 -7.550 -32.434 -5.627 1.00 0.00 H new ATOM 0 HA SER A 2 -8.574 -34.168 -3.561 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.032 -34.804 -4.224 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.690 -33.429 -3.194 1.00 0.00 H new ATOM 0 HG SER A 2 -5.838 -35.410 -1.992 1.00 0.00 H new ATOM 31 N SER A 3 -9.132 -31.877 -2.753 1.00 0.00 N ATOM 32 CA SER A 3 -9.422 -30.615 -2.102 1.00 0.00 C ATOM 33 C SER A 3 -10.415 -30.833 -0.970 1.00 0.00 C ATOM 34 O SER A 3 -11.296 -31.684 -1.067 1.00 0.00 O ATOM 35 CB SER A 3 -9.978 -29.632 -3.127 1.00 0.00 C ATOM 36 OG SER A 3 -9.041 -28.601 -3.347 1.00 0.00 O ATOM 0 H SER A 3 -9.934 -32.502 -2.834 1.00 0.00 H new ATOM 0 HA SER A 3 -8.507 -30.201 -1.679 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.193 -30.148 -4.063 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.919 -29.213 -2.771 1.00 0.00 H new ATOM 0 HG SER A 3 -9.398 -27.970 -4.007 1.00 0.00 H new ATOM 42 N ASP A 4 -10.270 -30.059 0.109 1.00 0.00 N ATOM 43 CA ASP A 4 -11.152 -30.169 1.253 1.00 0.00 C ATOM 44 C ASP A 4 -10.897 -29.016 2.213 1.00 0.00 C ATOM 45 O ASP A 4 -9.810 -28.901 2.774 1.00 0.00 O ATOM 46 CB ASP A 4 -10.921 -31.510 1.945 1.00 0.00 C ATOM 47 CG ASP A 4 -12.241 -32.146 2.353 1.00 0.00 C ATOM 48 OD1 ASP A 4 -12.871 -31.599 3.284 1.00 0.00 O ATOM 49 OD2 ASP A 4 -12.597 -33.167 1.726 1.00 0.00 O ATOM 0 H ASP A 4 -9.544 -29.349 0.205 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.190 -30.119 0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.381 -32.180 1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.295 -31.366 2.825 1.00 0.00 H new ATOM 54 N GLY A 5 -11.905 -28.160 2.401 1.00 0.00 N ATOM 55 CA GLY A 5 -11.780 -27.023 3.291 1.00 0.00 C ATOM 56 C GLY A 5 -12.913 -26.037 3.048 1.00 0.00 C ATOM 57 O GLY A 5 -13.670 -25.713 3.962 1.00 0.00 O ATOM 0 H GLY A 5 -12.814 -28.240 1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.798 -27.360 4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.820 -26.531 3.132 1.00 0.00 H new ATOM 61 N GLY A 6 -13.030 -25.557 1.806 1.00 0.00 N ATOM 62 CA GLY A 6 -14.068 -24.610 1.452 1.00 0.00 C ATOM 63 C GLY A 6 -13.471 -23.226 1.239 1.00 0.00 C ATOM 64 O GLY A 6 -13.490 -22.393 2.142 1.00 0.00 O ATOM 0 H GLY A 6 -12.414 -25.815 1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -14.575 -24.938 0.545 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -14.819 -24.572 2.241 1.00 0.00 H new ATOM 68 N PRO A 7 -12.939 -22.985 0.038 1.00 0.00 N ATOM 69 CA PRO A 7 -12.328 -21.730 -0.346 1.00 0.00 C ATOM 70 C PRO A 7 -13.407 -20.674 -0.533 1.00 0.00 C ATOM 71 O PRO A 7 -14.296 -20.833 -1.366 1.00 0.00 O ATOM 72 CB PRO A 7 -11.618 -22.028 -1.664 1.00 0.00 C ATOM 73 CG PRO A 7 -12.481 -23.133 -2.271 1.00 0.00 C ATOM 74 CD PRO A 7 -12.899 -23.943 -1.045 1.00 0.00 C ATOM 0 HA PRO A 7 -11.635 -21.347 0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.574 -21.149 -2.308 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.591 -22.358 -1.505 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.343 -22.728 -2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.922 -23.738 -2.985 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.872 -24.412 -1.194 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.188 -24.743 -0.839 1.00 0.00 H new ATOM 82 N VAL A 8 -13.328 -19.593 0.246 1.00 0.00 N ATOM 83 CA VAL A 8 -14.296 -18.517 0.164 1.00 0.00 C ATOM 84 C VAL A 8 -13.780 -17.430 -0.766 1.00 0.00 C ATOM 85 O VAL A 8 -12.591 -17.109 -0.748 1.00 0.00 O ATOM 86 CB VAL A 8 -14.554 -17.958 1.560 1.00 0.00 C ATOM 87 CG1 VAL A 8 -13.246 -17.437 2.149 1.00 0.00 C ATOM 88 CG2 VAL A 8 -15.562 -16.816 1.471 1.00 0.00 C ATOM 0 H VAL A 8 -12.597 -19.447 0.942 1.00 0.00 H new ATOM 0 HA VAL A 8 -15.235 -18.897 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.952 -18.746 2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.430 -17.037 3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.525 -18.252 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.848 -16.649 1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.747 -16.416 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.164 -16.028 0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.496 -17.187 1.050 1.00 0.00 H new ATOM 98 N LEU A 9 -14.673 -16.864 -1.578 1.00 0.00 N ATOM 99 CA LEU A 9 -14.310 -15.814 -2.530 1.00 0.00 C ATOM 100 C LEU A 9 -13.682 -14.604 -1.836 1.00 0.00 C ATOM 101 O LEU A 9 -12.923 -13.848 -2.439 1.00 0.00 O ATOM 102 CB LEU A 9 -15.551 -15.380 -3.315 1.00 0.00 C ATOM 103 CG LEU A 9 -16.680 -14.771 -2.455 1.00 0.00 C ATOM 104 CD1 LEU A 9 -17.645 -13.952 -3.308 1.00 0.00 C ATOM 105 CD2 LEU A 9 -17.438 -15.859 -1.703 1.00 0.00 C ATOM 0 H LEU A 9 -15.661 -17.118 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.564 -16.224 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.251 -14.650 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.946 -16.244 -3.850 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.215 -14.104 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -18.428 -13.537 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.103 -13.141 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -18.094 -14.593 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -18.228 -15.405 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.878 -16.555 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -16.751 -16.396 -1.049 1.00 0.00 H new ATOM 117 N GLY A 10 -14.013 -14.427 -0.555 1.00 0.00 N ATOM 118 CA GLY A 10 -13.494 -13.317 0.219 1.00 0.00 C ATOM 119 C GLY A 10 -14.033 -11.999 -0.319 1.00 0.00 C ATOM 120 O GLY A 10 -15.182 -11.922 -0.749 1.00 0.00 O ATOM 0 H GLY A 10 -14.640 -15.044 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.775 -13.432 1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.405 -13.315 0.180 1.00 0.00 H new ATOM 124 N GLY A 11 -13.196 -10.959 -0.296 1.00 0.00 N ATOM 125 CA GLY A 11 -13.594 -9.652 -0.780 1.00 0.00 C ATOM 126 C GLY A 11 -12.613 -8.591 -0.301 1.00 0.00 C ATOM 127 O GLY A 11 -11.480 -8.903 0.057 1.00 0.00 O ATOM 0 H GLY A 11 -12.239 -11.005 0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.633 -9.656 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.598 -9.416 -0.426 1.00 0.00 H new ATOM 131 N VAL A 12 -13.055 -7.331 -0.295 1.00 0.00 N ATOM 132 CA VAL A 12 -12.218 -6.230 0.139 1.00 0.00 C ATOM 133 C VAL A 12 -13.057 -5.217 0.906 1.00 0.00 C ATOM 134 O VAL A 12 -14.074 -4.743 0.405 1.00 0.00 O ATOM 135 CB VAL A 12 -11.564 -5.580 -1.077 1.00 0.00 C ATOM 136 CG1 VAL A 12 -12.643 -5.029 -2.003 1.00 0.00 C ATOM 137 CG2 VAL A 12 -10.657 -4.442 -0.618 1.00 0.00 C ATOM 0 H VAL A 12 -13.992 -7.056 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.436 -6.601 0.801 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.973 -6.323 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.175 -4.565 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.291 -5.842 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.235 -4.286 -1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.189 -3.977 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.248 -3.699 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.885 -4.836 0.043 1.00 0.00 H new ATOM 147 N GLU A 13 -12.628 -4.885 2.125 1.00 0.00 N ATOM 148 CA GLU A 13 -13.340 -3.931 2.951 1.00 0.00 C ATOM 149 C GLU A 13 -12.642 -2.579 2.902 1.00 0.00 C ATOM 150 O GLU A 13 -11.529 -2.433 3.400 1.00 0.00 O ATOM 151 CB GLU A 13 -13.410 -4.452 4.384 1.00 0.00 C ATOM 152 CG GLU A 13 -14.771 -4.110 4.983 1.00 0.00 C ATOM 153 CD GLU A 13 -15.760 -5.247 4.771 1.00 0.00 C ATOM 154 OE1 GLU A 13 -16.297 -5.329 3.645 1.00 0.00 O ATOM 155 OE2 GLU A 13 -15.959 -6.013 5.738 1.00 0.00 O ATOM 0 H GLU A 13 -11.787 -5.269 2.556 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.355 -3.806 2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.255 -5.531 4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.615 -4.008 4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.664 -3.910 6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.155 -3.198 4.525 1.00 0.00 H new ATOM 162 N PRO A 14 -13.304 -1.588 2.298 1.00 0.00 N ATOM 163 CA PRO A 14 -12.801 -0.238 2.159 1.00 0.00 C ATOM 164 C PRO A 14 -12.839 0.463 3.510 1.00 0.00 C ATOM 165 O PRO A 14 -13.879 0.500 4.163 1.00 0.00 O ATOM 166 CB PRO A 14 -13.749 0.432 1.167 1.00 0.00 C ATOM 167 CG PRO A 14 -15.069 -0.296 1.416 1.00 0.00 C ATOM 168 CD PRO A 14 -14.614 -1.725 1.702 1.00 0.00 C ATOM 0 HA PRO A 14 -11.768 -0.203 1.812 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.837 1.503 1.351 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.409 0.312 0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.615 0.131 2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.729 -0.247 0.550 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.304 -2.231 2.377 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.572 -2.316 0.787 1.00 0.00 H new ATOM 176 N VAL A 15 -11.699 1.019 3.929 1.00 0.00 N ATOM 177 CA VAL A 15 -11.607 1.712 5.196 1.00 0.00 C ATOM 178 C VAL A 15 -10.586 2.837 5.095 1.00 0.00 C ATOM 179 O VAL A 15 -10.279 3.304 4.001 1.00 0.00 O ATOM 180 CB VAL A 15 -11.215 0.723 6.290 1.00 0.00 C ATOM 181 CG1 VAL A 15 -9.782 0.252 6.061 1.00 0.00 C ATOM 182 CG2 VAL A 15 -11.317 1.403 7.652 1.00 0.00 C ATOM 0 H VAL A 15 -10.828 0.997 3.399 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.574 2.147 5.448 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.887 -0.135 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.502 -0.454 6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.710 -0.235 5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.109 1.109 6.088 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.037 0.696 8.433 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.646 2.261 7.681 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.341 1.738 7.816 1.00 0.00 H new ATOM 192 N GLY A 16 -10.058 3.270 6.242 1.00 0.00 N ATOM 193 CA GLY A 16 -9.076 4.335 6.273 1.00 0.00 C ATOM 194 C GLY A 16 -8.822 4.778 7.707 1.00 0.00 C ATOM 195 O GLY A 16 -9.750 4.858 8.510 1.00 0.00 O ATOM 0 H GLY A 16 -10.300 2.893 7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.145 3.994 5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.427 5.180 5.681 1.00 0.00 H new ATOM 199 N ASN A 17 -7.559 5.066 8.028 1.00 0.00 N ATOM 200 CA ASN A 17 -7.189 5.498 9.360 1.00 0.00 C ATOM 201 C ASN A 17 -5.674 5.554 9.487 1.00 0.00 C ATOM 202 O ASN A 17 -5.013 4.519 9.554 1.00 0.00 O ATOM 203 CB ASN A 17 -7.783 4.538 10.388 1.00 0.00 C ATOM 204 CG ASN A 17 -8.722 5.271 11.336 1.00 0.00 C ATOM 205 OD1 ASN A 17 -9.472 6.147 10.915 1.00 0.00 O ATOM 206 ND2 ASN A 17 -8.678 4.907 12.620 1.00 0.00 N ATOM 0 H ASN A 17 -6.778 5.005 7.374 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.583 6.498 9.543 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.324 3.741 9.878 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.982 4.066 10.956 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.286 5.363 13.301 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.037 4.173 12.920 1.00 0.00 H new ATOM 213 N GLU A 18 -5.121 6.769 9.519 1.00 0.00 N ATOM 214 CA GLU A 18 -3.689 6.952 9.639 1.00 0.00 C ATOM 215 C GLU A 18 -3.237 6.603 11.049 1.00 0.00 C ATOM 216 O GLU A 18 -2.129 6.107 11.245 1.00 0.00 O ATOM 217 CB GLU A 18 -3.332 8.397 9.299 1.00 0.00 C ATOM 218 CG GLU A 18 -4.136 9.341 10.186 1.00 0.00 C ATOM 219 CD GLU A 18 -3.724 10.789 9.953 1.00 0.00 C ATOM 220 OE1 GLU A 18 -2.505 11.053 10.047 1.00 0.00 O ATOM 221 OE2 GLU A 18 -4.634 11.601 9.685 1.00 0.00 O ATOM 0 H GLU A 18 -5.653 7.638 9.463 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.176 6.289 8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.265 8.563 9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.545 8.598 8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.200 9.224 9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.985 9.080 11.233 1.00 0.00 H new ATOM 228 N ASN A 19 -4.099 6.863 12.034 1.00 0.00 N ATOM 229 CA ASN A 19 -3.785 6.575 13.419 1.00 0.00 C ATOM 230 C ASN A 19 -3.066 5.237 13.521 1.00 0.00 C ATOM 231 O ASN A 19 -1.968 5.158 14.066 1.00 0.00 O ATOM 232 CB ASN A 19 -5.073 6.558 14.237 1.00 0.00 C ATOM 233 CG ASN A 19 -5.883 5.301 13.953 1.00 0.00 C ATOM 234 OD1 ASN A 19 -6.434 4.695 14.869 1.00 0.00 O ATOM 235 ND2 ASN A 19 -5.956 4.912 12.678 1.00 0.00 N ATOM 0 H ASN A 19 -5.021 7.274 11.889 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.126 7.349 13.814 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.834 6.609 15.299 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.669 7.440 14.002 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.487 4.078 12.429 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.481 5.449 11.953 1.00 0.00 H new ATOM 242 N ASP A 20 -3.690 4.182 12.991 1.00 0.00 N ATOM 243 CA ASP A 20 -3.109 2.855 13.023 1.00 0.00 C ATOM 244 C ASP A 20 -1.684 2.903 12.492 1.00 0.00 C ATOM 245 O ASP A 20 -1.459 2.705 11.297 1.00 0.00 O ATOM 246 CB ASP A 20 -3.965 1.906 12.190 1.00 0.00 C ATOM 247 CG ASP A 20 -5.447 2.211 12.367 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.815 2.593 13.499 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.181 2.057 11.368 1.00 0.00 O ATOM 0 H ASP A 20 -4.601 4.231 12.535 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.080 2.491 14.050 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.695 1.995 11.138 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.764 0.876 12.484 1.00 0.00 H new ATOM 254 N LEU A 21 -0.724 3.166 13.378 1.00 0.00 N ATOM 255 CA LEU A 21 0.686 3.253 13.000 1.00 0.00 C ATOM 256 C LEU A 21 1.074 2.180 11.980 1.00 0.00 C ATOM 257 O LEU A 21 1.792 2.458 11.020 1.00 0.00 O ATOM 258 CB LEU A 21 1.562 3.126 14.249 1.00 0.00 C ATOM 259 CG LEU A 21 1.454 1.772 14.981 1.00 0.00 C ATOM 260 CD1 LEU A 21 2.832 1.228 15.347 1.00 0.00 C ATOM 261 CD2 LEU A 21 0.589 1.896 16.230 1.00 0.00 C ATOM 0 H LEU A 21 -0.899 3.324 14.370 1.00 0.00 H new ATOM 0 HA LEU A 21 0.845 4.224 12.531 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.602 3.287 13.964 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.295 3.921 14.945 1.00 0.00 H new ATOM 0 HG LEU A 21 0.980 1.068 14.297 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.721 0.273 15.861 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.420 1.086 14.440 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.341 1.936 16.001 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.528 0.928 16.728 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.031 2.626 16.908 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.412 2.222 15.948 1.00 0.00 H new ATOM 273 N HIS A 22 0.589 0.955 12.207 1.00 0.00 N ATOM 274 CA HIS A 22 0.862 -0.177 11.320 1.00 0.00 C ATOM 275 C HIS A 22 0.456 0.162 9.874 1.00 0.00 C ATOM 276 O HIS A 22 1.288 0.061 8.972 1.00 0.00 O ATOM 277 CB HIS A 22 0.133 -1.432 11.817 1.00 0.00 C ATOM 278 CG HIS A 22 0.629 -2.693 11.178 1.00 0.00 C ATOM 279 ND1 HIS A 22 1.642 -3.460 11.715 1.00 0.00 N ATOM 280 CD2 HIS A 22 0.254 -3.318 10.037 1.00 0.00 C ATOM 281 CE1 HIS A 22 1.870 -4.500 10.932 1.00 0.00 C ATOM 282 NE2 HIS A 22 1.040 -4.438 9.909 1.00 0.00 N ATOM 0 H HIS A 22 -0.000 0.722 13.006 1.00 0.00 H new ATOM 0 HA HIS A 22 1.933 -0.380 11.331 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.251 -1.509 12.898 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.934 -1.327 11.619 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.519 -2.996 9.355 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.609 -5.269 11.101 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.990 -5.113 9.146 1.00 0.00 H new ATOM 291 N LEU A 23 -0.805 0.542 9.660 1.00 0.00 N ATOM 292 CA LEU A 23 -1.309 0.863 8.326 1.00 0.00 C ATOM 293 C LEU A 23 -0.379 1.821 7.577 1.00 0.00 C ATOM 294 O LEU A 23 0.078 1.529 6.474 1.00 0.00 O ATOM 295 CB LEU A 23 -2.707 1.475 8.438 1.00 0.00 C ATOM 296 CG LEU A 23 -3.792 0.520 8.981 1.00 0.00 C ATOM 297 CD1 LEU A 23 -4.602 -0.100 7.847 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.171 -0.574 9.844 1.00 0.00 C ATOM 0 H LEU A 23 -1.500 0.635 10.401 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.353 -0.064 7.755 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.654 2.349 9.087 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.014 1.828 7.453 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.468 1.110 9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.357 -0.767 8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.090 0.689 7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.938 -0.666 7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.955 -1.234 10.215 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.464 -1.150 9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.650 -0.120 10.687 1.00 0.00 H new ATOM 310 N VAL A 24 -0.109 2.974 8.192 1.00 0.00 N ATOM 311 CA VAL A 24 0.752 3.976 7.596 1.00 0.00 C ATOM 312 C VAL A 24 2.103 3.360 7.263 1.00 0.00 C ATOM 313 O VAL A 24 2.618 3.545 6.162 1.00 0.00 O ATOM 314 CB VAL A 24 0.915 5.146 8.563 1.00 0.00 C ATOM 315 CG1 VAL A 24 2.214 5.884 8.253 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.264 6.101 8.405 1.00 0.00 C ATOM 0 H VAL A 24 -0.480 3.230 9.107 1.00 0.00 H new ATOM 0 HA VAL A 24 0.304 4.345 6.673 1.00 0.00 H new ATOM 0 HB VAL A 24 0.946 4.772 9.586 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.331 6.720 8.943 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.056 5.201 8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.184 6.260 7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.150 6.937 9.095 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.294 6.476 7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.192 5.573 8.625 1.00 0.00 H new ATOM 326 N ASP A 25 2.679 2.625 8.218 1.00 0.00 N ATOM 327 CA ASP A 25 3.965 1.987 8.020 1.00 0.00 C ATOM 328 C ASP A 25 4.031 1.381 6.626 1.00 0.00 C ATOM 329 O ASP A 25 5.040 1.524 5.934 1.00 0.00 O ATOM 330 CB ASP A 25 4.169 0.915 9.087 1.00 0.00 C ATOM 331 CG ASP A 25 5.599 0.394 9.068 1.00 0.00 C ATOM 332 OD1 ASP A 25 5.919 -0.353 8.119 1.00 0.00 O ATOM 333 OD2 ASP A 25 6.346 0.754 10.004 1.00 0.00 O ATOM 0 H ASP A 25 2.266 2.462 9.136 1.00 0.00 H new ATOM 0 HA ASP A 25 4.761 2.727 8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.941 1.327 10.070 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.475 0.091 8.918 1.00 0.00 H new ATOM 338 N LEU A 26 2.958 0.706 6.216 1.00 0.00 N ATOM 339 CA LEU A 26 2.893 0.062 4.904 1.00 0.00 C ATOM 340 C LEU A 26 3.049 1.073 3.763 1.00 0.00 C ATOM 341 O LEU A 26 3.893 0.913 2.885 1.00 0.00 O ATOM 342 CB LEU A 26 1.564 -0.684 4.762 1.00 0.00 C ATOM 343 CG LEU A 26 1.272 -1.706 5.880 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.914 -3.072 5.303 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.461 -1.831 6.826 1.00 0.00 C ATOM 0 H LEU A 26 2.115 0.590 6.779 1.00 0.00 H new ATOM 0 HA LEU A 26 3.723 -0.642 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.755 0.046 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.556 -1.203 3.804 1.00 0.00 H new ATOM 0 HG LEU A 26 0.414 -1.338 6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.714 -3.769 6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.027 -2.981 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.745 -3.443 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.231 -2.557 7.606 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.337 -2.163 6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.667 -0.862 7.282 1.00 0.00 H new ATOM 357 N ALA A 27 2.215 2.115 3.788 1.00 0.00 N ATOM 358 CA ALA A 27 2.247 3.143 2.768 1.00 0.00 C ATOM 359 C ALA A 27 3.587 3.865 2.805 1.00 0.00 C ATOM 360 O ALA A 27 4.262 3.980 1.783 1.00 0.00 O ATOM 361 CB ALA A 27 1.100 4.123 2.997 1.00 0.00 C ATOM 0 H ALA A 27 1.510 2.261 4.510 1.00 0.00 H new ATOM 0 HA ALA A 27 2.128 2.688 1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.124 4.897 2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.150 3.590 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.205 4.583 3.980 1.00 0.00 H new ATOM 367 N ARG A 28 3.972 4.351 3.987 1.00 0.00 N ATOM 368 CA ARG A 28 5.226 5.059 4.152 1.00 0.00 C ATOM 369 C ARG A 28 6.386 4.146 3.778 1.00 0.00 C ATOM 370 O ARG A 28 7.443 4.619 3.366 1.00 0.00 O ATOM 371 CB ARG A 28 5.355 5.534 5.596 1.00 0.00 C ATOM 372 CG ARG A 28 4.750 6.928 5.730 1.00 0.00 C ATOM 373 CD ARG A 28 5.599 7.763 6.685 1.00 0.00 C ATOM 374 NE ARG A 28 6.332 8.802 5.964 1.00 0.00 N ATOM 375 CZ ARG A 28 7.668 8.900 5.992 1.00 0.00 C ATOM 376 NH1 ARG A 28 8.390 8.021 6.700 1.00 0.00 N ATOM 377 NH2 ARG A 28 8.283 9.876 5.310 1.00 0.00 N ATOM 0 H ARG A 28 3.424 4.262 4.843 1.00 0.00 H new ATOM 0 HA ARG A 28 5.247 5.928 3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.847 4.840 6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.404 5.551 5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.702 7.410 4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.728 6.858 6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.959 8.221 7.439 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.301 7.117 7.212 1.00 0.00 H new ATOM 0 HE ARG A 28 5.804 9.481 5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.923 7.277 7.218 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.407 8.096 6.721 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.734 10.544 4.769 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.300 9.950 5.331 1.00 0.00 H new ATOM 391 N PHE A 29 6.185 2.835 3.923 1.00 0.00 N ATOM 392 CA PHE A 29 7.213 1.866 3.600 1.00 0.00 C ATOM 393 C PHE A 29 7.439 1.834 2.095 1.00 0.00 C ATOM 394 O PHE A 29 8.578 1.878 1.634 1.00 0.00 O ATOM 395 CB PHE A 29 6.794 0.492 4.115 1.00 0.00 C ATOM 396 CG PHE A 29 7.434 -0.652 3.365 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.783 -0.581 2.996 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.677 -1.784 3.036 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.375 -1.641 2.299 1.00 0.00 C ATOM 400 CE2 PHE A 29 7.270 -2.844 2.340 1.00 0.00 C ATOM 401 CZ PHE A 29 8.618 -2.772 1.971 1.00 0.00 C ATOM 0 H PHE A 29 5.314 2.427 4.264 1.00 0.00 H new ATOM 0 HA PHE A 29 8.150 2.149 4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.053 0.414 5.171 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.710 0.401 4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.367 0.292 3.249 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.636 -1.839 3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.415 -1.586 2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.687 -3.718 2.088 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.075 -3.589 1.433 1.00 0.00 H new ATOM 411 N ALA A 30 6.348 1.757 1.329 1.00 0.00 N ATOM 412 CA ALA A 30 6.431 1.719 -0.118 1.00 0.00 C ATOM 413 C ALA A 30 7.308 2.859 -0.614 1.00 0.00 C ATOM 414 O ALA A 30 8.393 2.626 -1.142 1.00 0.00 O ATOM 415 CB ALA A 30 5.028 1.819 -0.709 1.00 0.00 C ATOM 0 H ALA A 30 5.397 1.720 1.696 1.00 0.00 H new ATOM 0 HA ALA A 30 6.879 0.778 -0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.089 1.791 -1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.425 0.982 -0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.567 2.756 -0.396 1.00 0.00 H new ATOM 421 N VAL A 31 6.835 4.095 -0.443 1.00 0.00 N ATOM 422 CA VAL A 31 7.577 5.264 -0.874 1.00 0.00 C ATOM 423 C VAL A 31 9.050 5.095 -0.533 1.00 0.00 C ATOM 424 O VAL A 31 9.918 5.426 -1.335 1.00 0.00 O ATOM 425 CB VAL A 31 7.004 6.506 -0.197 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.664 7.753 -0.779 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.499 6.568 -0.438 1.00 0.00 C ATOM 0 H VAL A 31 5.937 4.305 -0.007 1.00 0.00 H new ATOM 0 HA VAL A 31 7.486 5.380 -1.954 1.00 0.00 H new ATOM 0 HB VAL A 31 7.199 6.458 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.255 8.640 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.739 7.709 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.470 7.801 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.089 7.455 0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.304 6.616 -1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.027 5.678 -0.023 1.00 0.00 H new ATOM 437 N THR A 32 9.331 4.574 0.665 1.00 0.00 N ATOM 438 CA THR A 32 10.696 4.364 1.102 1.00 0.00 C ATOM 439 C THR A 32 11.377 3.340 0.204 1.00 0.00 C ATOM 440 O THR A 32 12.303 3.673 -0.532 1.00 0.00 O ATOM 441 CB THR A 32 10.697 3.893 2.553 1.00 0.00 C ATOM 442 OG1 THR A 32 10.459 4.993 3.404 1.00 0.00 O ATOM 443 CG2 THR A 32 12.053 3.277 2.887 1.00 0.00 C ATOM 0 H THR A 32 8.623 4.293 1.344 1.00 0.00 H new ATOM 0 HA THR A 32 11.250 5.300 1.035 1.00 0.00 H new ATOM 0 HB THR A 32 9.914 3.148 2.694 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.496 5.079 3.566 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.054 2.940 3.924 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.239 2.428 2.229 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.836 4.022 2.747 1.00 0.00 H new ATOM 451 N GLU A 33 10.911 2.090 0.265 1.00 0.00 N ATOM 452 CA GLU A 33 11.475 1.027 -0.542 1.00 0.00 C ATOM 453 C GLU A 33 11.732 1.530 -1.956 1.00 0.00 C ATOM 454 O GLU A 33 12.827 1.340 -2.488 1.00 0.00 O ATOM 455 CB GLU A 33 10.517 -0.161 -0.557 1.00 0.00 C ATOM 456 CG GLU A 33 11.089 -1.265 -1.442 1.00 0.00 C ATOM 457 CD GLU A 33 12.163 -2.050 -0.703 1.00 0.00 C ATOM 458 OE1 GLU A 33 11.866 -2.492 0.428 1.00 0.00 O ATOM 459 OE2 GLU A 33 13.259 -2.197 -1.284 1.00 0.00 O ATOM 0 H GLU A 33 10.143 1.798 0.869 1.00 0.00 H new ATOM 0 HA GLU A 33 12.425 0.707 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.367 -0.534 0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.541 0.150 -0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.290 -1.938 -1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.510 -0.829 -2.348 1.00 0.00 H new ATOM 466 N HIS A 34 10.723 2.168 -2.557 1.00 0.00 N ATOM 467 CA HIS A 34 10.832 2.717 -3.910 1.00 0.00 C ATOM 468 C HIS A 34 12.010 3.704 -3.997 1.00 0.00 C ATOM 469 O HIS A 34 12.847 3.570 -4.887 1.00 0.00 O ATOM 470 CB HIS A 34 9.516 3.391 -4.317 1.00 0.00 C ATOM 471 CG HIS A 34 9.463 3.750 -5.772 1.00 0.00 C ATOM 472 ND1 HIS A 34 8.307 3.679 -6.522 1.00 0.00 N ATOM 473 CD2 HIS A 34 10.433 4.172 -6.618 1.00 0.00 C ATOM 474 CE1 HIS A 34 8.567 4.042 -7.766 1.00 0.00 C ATOM 475 NE2 HIS A 34 9.848 4.348 -7.849 1.00 0.00 N ATOM 0 H HIS A 34 9.813 2.317 -2.121 1.00 0.00 H new ATOM 0 HA HIS A 34 11.025 1.901 -4.606 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.686 2.724 -4.083 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.378 4.293 -3.721 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.394 3.391 -6.171 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.471 4.339 -6.371 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.853 4.081 -8.576 1.00 0.00 H new ATOM 484 N ASN A 35 12.062 4.685 -3.094 1.00 0.00 N ATOM 485 CA ASN A 35 13.122 5.672 -3.100 1.00 0.00 C ATOM 486 C ASN A 35 14.465 4.993 -2.874 1.00 0.00 C ATOM 487 O ASN A 35 15.514 5.578 -3.137 1.00 0.00 O ATOM 488 CB ASN A 35 12.854 6.713 -2.017 1.00 0.00 C ATOM 489 CG ASN A 35 11.671 7.595 -2.392 1.00 0.00 C ATOM 490 OD1 ASN A 35 11.485 8.664 -1.817 1.00 0.00 O ATOM 491 ND2 ASN A 35 10.872 7.143 -3.361 1.00 0.00 N ATOM 0 H ASN A 35 11.375 4.810 -2.350 1.00 0.00 H new ATOM 0 HA ASN A 35 13.150 6.172 -4.068 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.654 6.214 -1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.741 7.330 -1.872 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.064 7.693 -3.654 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.069 6.248 -3.808 1.00 0.00 H new ATOM 498 N LYS A 36 14.430 3.752 -2.382 1.00 0.00 N ATOM 499 CA LYS A 36 15.641 2.998 -2.123 1.00 0.00 C ATOM 500 C LYS A 36 16.185 2.427 -3.425 1.00 0.00 C ATOM 501 O LYS A 36 17.369 2.568 -3.723 1.00 0.00 O ATOM 502 CB LYS A 36 15.341 1.883 -1.127 1.00 0.00 C ATOM 503 CG LYS A 36 16.591 1.588 -0.303 1.00 0.00 C ATOM 504 CD LYS A 36 16.581 2.441 0.962 1.00 0.00 C ATOM 505 CE LYS A 36 17.420 1.763 2.040 1.00 0.00 C ATOM 506 NZ LYS A 36 17.063 2.259 3.378 1.00 0.00 N ATOM 0 H LYS A 36 13.569 3.254 -2.157 1.00 0.00 H new ATOM 0 HA LYS A 36 16.398 3.656 -1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.521 2.177 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.020 0.985 -1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 36 16.625 0.531 -0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.485 1.800 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.978 3.433 0.747 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.558 2.576 1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.271 0.684 1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.478 1.946 1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.648 1.782 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.229 3.285 3.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.059 2.062 3.565 1.00 0.00 H new ATOM 520 N LYS A 37 15.313 1.780 -4.202 1.00 0.00 N ATOM 521 CA LYS A 37 15.708 1.192 -5.467 1.00 0.00 C ATOM 522 C LYS A 37 15.540 2.209 -6.587 1.00 0.00 C ATOM 523 O LYS A 37 15.751 1.891 -7.755 1.00 0.00 O ATOM 524 CB LYS A 37 14.865 -0.051 -5.734 1.00 0.00 C ATOM 525 CG LYS A 37 15.643 -1.294 -5.311 1.00 0.00 C ATOM 526 CD LYS A 37 14.778 -2.533 -5.523 1.00 0.00 C ATOM 527 CE LYS A 37 15.278 -3.301 -6.743 1.00 0.00 C ATOM 528 NZ LYS A 37 16.062 -4.479 -6.340 1.00 0.00 N ATOM 0 H LYS A 37 14.328 1.654 -3.969 1.00 0.00 H new ATOM 0 HA LYS A 37 16.758 0.902 -5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.926 0.008 -5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.611 -0.111 -6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.562 -1.376 -5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.933 -1.215 -4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.814 -3.170 -4.639 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.737 -2.243 -5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.430 -3.615 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.891 -2.647 -7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.390 -4.984 -7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.883 -4.174 -5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.468 -5.113 -5.768 1.00 0.00 H new ATOM 542 N ALA A 38 15.159 3.436 -6.226 1.00 0.00 N ATOM 543 CA ALA A 38 14.963 4.492 -7.199 1.00 0.00 C ATOM 544 C ALA A 38 15.681 5.754 -6.741 1.00 0.00 C ATOM 545 O ALA A 38 15.327 6.857 -7.154 1.00 0.00 O ATOM 546 CB ALA A 38 13.470 4.752 -7.372 1.00 0.00 C ATOM 0 H ALA A 38 14.982 3.715 -5.261 1.00 0.00 H new ATOM 0 HA ALA A 38 15.379 4.189 -8.160 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.321 5.546 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.980 3.842 -7.719 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.040 5.054 -6.417 1.00 0.00 H new ATOM 552 N ASN A 39 16.692 5.591 -5.885 1.00 0.00 N ATOM 553 CA ASN A 39 17.452 6.715 -5.378 1.00 0.00 C ATOM 554 C ASN A 39 16.511 7.850 -5.000 1.00 0.00 C ATOM 555 O ASN A 39 16.895 9.016 -5.027 1.00 0.00 O ATOM 556 CB ASN A 39 18.450 7.172 -6.438 1.00 0.00 C ATOM 557 CG ASN A 39 19.720 6.334 -6.385 1.00 0.00 C ATOM 558 OD1 ASN A 39 20.032 5.618 -7.334 1.00 0.00 O ATOM 559 ND2 ASN A 39 20.454 6.429 -5.274 1.00 0.00 N ATOM 0 H ASN A 39 16.997 4.684 -5.532 1.00 0.00 H new ATOM 0 HA ASN A 39 18.000 6.413 -4.485 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.998 7.093 -7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.696 8.223 -6.283 1.00 0.00 H new ATOM 0 HD21 ASN A 39 21.317 5.893 -5.186 1.00 0.00 H new ATOM 0 HD22 ASN A 39 20.152 7.038 -4.514 1.00 0.00 H new ATOM 566 N SER A 40 15.272 7.502 -4.644 1.00 0.00 N ATOM 567 CA SER A 40 14.282 8.490 -4.261 1.00 0.00 C ATOM 568 C SER A 40 13.795 9.238 -5.494 1.00 0.00 C ATOM 569 O SER A 40 14.509 9.324 -6.493 1.00 0.00 O ATOM 570 CB SER A 40 14.894 9.455 -3.249 1.00 0.00 C ATOM 571 OG SER A 40 15.697 8.735 -2.340 1.00 0.00 O ATOM 0 H SER A 40 14.938 6.539 -4.616 1.00 0.00 H new ATOM 0 HA SER A 40 13.427 7.995 -3.801 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.493 10.207 -3.763 1.00 0.00 H new ATOM 0 HB3 SER A 40 14.106 9.986 -2.714 1.00 0.00 H new ATOM 0 HG SER A 40 16.092 9.354 -1.691 1.00 0.00 H new ATOM 577 N LEU A 41 12.578 9.778 -5.421 1.00 0.00 N ATOM 578 CA LEU A 41 11.983 10.516 -6.535 1.00 0.00 C ATOM 579 C LEU A 41 10.846 11.430 -6.074 1.00 0.00 C ATOM 580 O LEU A 41 10.718 12.565 -6.536 1.00 0.00 O ATOM 581 CB LEU A 41 11.465 9.528 -7.585 1.00 0.00 C ATOM 582 CG LEU A 41 9.955 9.222 -7.497 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.450 8.554 -8.773 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.646 8.347 -6.288 1.00 0.00 C ATOM 0 H LEU A 41 11.982 9.717 -4.596 1.00 0.00 H new ATOM 0 HA LEU A 41 12.757 11.149 -6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.684 9.925 -8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.017 8.593 -7.487 1.00 0.00 H new ATOM 0 HG LEU A 41 9.435 10.173 -7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.383 8.351 -8.680 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.621 9.216 -9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.985 7.617 -8.930 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.575 8.146 -6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.189 7.406 -6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.952 8.863 -5.378 1.00 0.00 H new ATOM 596 N LEU A 42 10.020 10.921 -5.160 1.00 0.00 N ATOM 597 CA LEU A 42 8.878 11.669 -4.635 1.00 0.00 C ATOM 598 C LEU A 42 8.989 11.900 -3.126 1.00 0.00 C ATOM 599 O LEU A 42 9.960 11.494 -2.491 1.00 0.00 O ATOM 600 CB LEU A 42 7.582 10.918 -4.955 1.00 0.00 C ATOM 601 CG LEU A 42 6.745 11.527 -6.099 1.00 0.00 C ATOM 602 CD1 LEU A 42 7.609 11.817 -7.324 1.00 0.00 C ATOM 603 CD2 LEU A 42 5.590 10.609 -6.477 1.00 0.00 C ATOM 0 H LEU A 42 10.122 9.986 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 42 8.870 12.647 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.830 9.889 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.968 10.881 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 42 6.336 12.471 -5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.990 12.245 -8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.395 12.523 -7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.059 10.890 -7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.015 11.061 -7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.983 9.646 -6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.944 10.462 -5.611 1.00 0.00 H new ATOM 615 N GLU A 43 7.979 12.566 -2.560 1.00 0.00 N ATOM 616 CA GLU A 43 7.959 12.856 -1.141 1.00 0.00 C ATOM 617 C GLU A 43 6.553 12.660 -0.591 1.00 0.00 C ATOM 618 O GLU A 43 5.645 13.424 -0.909 1.00 0.00 O ATOM 619 CB GLU A 43 8.435 14.287 -0.909 1.00 0.00 C ATOM 620 CG GLU A 43 8.588 14.537 0.588 1.00 0.00 C ATOM 621 CD GLU A 43 9.911 13.983 1.099 1.00 0.00 C ATOM 622 OE1 GLU A 43 9.927 12.783 1.446 1.00 0.00 O ATOM 623 OE2 GLU A 43 10.881 14.771 1.132 1.00 0.00 O ATOM 0 H GLU A 43 7.167 12.911 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 43 8.629 12.173 -0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.386 14.451 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.721 14.992 -1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.535 15.607 0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.762 14.070 1.125 1.00 0.00 H new ATOM 630 N PHE A 44 6.377 11.630 0.240 1.00 0.00 N ATOM 631 CA PHE A 44 5.085 11.339 0.831 1.00 0.00 C ATOM 632 C PHE A 44 4.634 12.512 1.690 1.00 0.00 C ATOM 633 O PHE A 44 5.410 13.039 2.484 1.00 0.00 O ATOM 634 CB PHE A 44 5.184 10.064 1.664 1.00 0.00 C ATOM 635 CG PHE A 44 3.995 9.840 2.566 1.00 0.00 C ATOM 636 CD1 PHE A 44 3.853 10.591 3.739 1.00 0.00 C ATOM 637 CD2 PHE A 44 3.031 8.882 2.228 1.00 0.00 C ATOM 638 CE1 PHE A 44 2.749 10.385 4.574 1.00 0.00 C ATOM 639 CE2 PHE A 44 1.927 8.675 3.063 1.00 0.00 C ATOM 640 CZ PHE A 44 1.785 9.427 4.236 1.00 0.00 C ATOM 0 H PHE A 44 7.120 10.987 0.514 1.00 0.00 H new ATOM 0 HA PHE A 44 4.346 11.187 0.044 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.289 9.210 0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.088 10.106 2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.596 11.330 4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.140 8.303 1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.640 10.965 5.479 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.184 7.935 2.803 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.932 9.268 4.880 1.00 0.00 H new ATOM 650 N GLU A 45 3.373 12.920 1.528 1.00 0.00 N ATOM 651 CA GLU A 45 2.828 14.026 2.289 1.00 0.00 C ATOM 652 C GLU A 45 1.995 13.498 3.450 1.00 0.00 C ATOM 653 O GLU A 45 2.167 13.927 4.589 1.00 0.00 O ATOM 654 CB GLU A 45 1.980 14.904 1.372 1.00 0.00 C ATOM 655 CG GLU A 45 1.056 15.778 2.216 1.00 0.00 C ATOM 656 CD GLU A 45 1.016 17.201 1.680 1.00 0.00 C ATOM 657 OE1 GLU A 45 0.455 17.378 0.577 1.00 0.00 O ATOM 658 OE2 GLU A 45 1.548 18.088 2.383 1.00 0.00 O ATOM 0 H GLU A 45 2.716 12.495 0.874 1.00 0.00 H new ATOM 0 HA GLU A 45 3.642 14.626 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.623 15.529 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.393 14.282 0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.051 15.357 2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.399 15.784 3.250 1.00 0.00 H new ATOM 665 N LYS A 46 1.091 12.561 3.157 1.00 0.00 N ATOM 666 CA LYS A 46 0.239 11.978 4.174 1.00 0.00 C ATOM 667 C LYS A 46 -0.583 10.845 3.576 1.00 0.00 C ATOM 668 O LYS A 46 -0.436 10.526 2.395 1.00 0.00 O ATOM 669 CB LYS A 46 -0.670 13.057 4.754 1.00 0.00 C ATOM 670 CG LYS A 46 -1.705 13.466 3.709 1.00 0.00 C ATOM 671 CD LYS A 46 -2.718 14.417 4.339 1.00 0.00 C ATOM 672 CE LYS A 46 -4.097 14.163 3.739 1.00 0.00 C ATOM 673 NZ LYS A 46 -4.712 15.418 3.278 1.00 0.00 N ATOM 0 H LYS A 46 0.936 12.194 2.218 1.00 0.00 H new ATOM 0 HA LYS A 46 0.854 11.568 4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.169 12.685 5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.079 13.922 5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.213 13.949 2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.212 12.583 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.747 14.271 5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.419 15.451 4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.011 13.468 2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.739 13.691 4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.649 15.217 2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.814 16.070 4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.108 15.854 2.552 1.00 0.00 H new ATOM 687 N LEU A 47 -1.447 10.240 4.391 1.00 0.00 N ATOM 688 CA LEU A 47 -2.290 9.130 3.950 1.00 0.00 C ATOM 689 C LEU A 47 -3.774 9.504 3.945 1.00 0.00 C ATOM 690 O LEU A 47 -4.219 10.346 4.723 1.00 0.00 O ATOM 691 CB LEU A 47 -2.061 7.918 4.857 1.00 0.00 C ATOM 692 CG LEU A 47 -3.200 6.877 4.849 1.00 0.00 C ATOM 693 CD1 LEU A 47 -3.097 5.951 3.642 1.00 0.00 C ATOM 694 CD2 LEU A 47 -3.202 6.063 6.138 1.00 0.00 C ATOM 0 H LEU A 47 -1.581 10.503 5.367 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.010 8.886 2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.136 7.426 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.916 8.269 5.879 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.141 7.423 4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.914 5.230 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.159 6.539 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.145 5.422 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.014 5.336 6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.251 5.541 6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.343 6.729 6.989 1.00 0.00 H new ATOM 706 N VAL A 48 -4.535 8.869 3.051 1.00 0.00 N ATOM 707 CA VAL A 48 -5.956 9.129 2.933 1.00 0.00 C ATOM 708 C VAL A 48 -6.743 7.975 3.537 1.00 0.00 C ATOM 709 O VAL A 48 -7.462 8.157 4.516 1.00 0.00 O ATOM 710 CB VAL A 48 -6.316 9.320 1.462 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.662 10.031 1.356 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.241 10.161 0.780 1.00 0.00 C ATOM 0 H VAL A 48 -4.181 8.169 2.399 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.211 10.039 3.477 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.380 8.347 0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.920 10.168 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.430 9.430 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.599 11.004 1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.498 10.298 -0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.177 11.134 1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.279 9.653 0.855 1.00 0.00 H new ATOM 722 N SER A 49 -6.605 6.785 2.948 1.00 0.00 N ATOM 723 CA SER A 49 -7.301 5.610 3.432 1.00 0.00 C ATOM 724 C SER A 49 -6.551 4.354 3.009 1.00 0.00 C ATOM 725 O SER A 49 -5.473 4.438 2.425 1.00 0.00 O ATOM 726 CB SER A 49 -8.725 5.601 2.882 1.00 0.00 C ATOM 727 OG SER A 49 -9.578 6.280 3.775 1.00 0.00 O ATOM 0 H SER A 49 -6.014 6.618 2.134 1.00 0.00 H new ATOM 0 HA SER A 49 -7.346 5.632 4.521 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.751 6.079 1.903 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.067 4.575 2.745 1.00 0.00 H new ATOM 0 HG SER A 49 -9.094 7.026 4.187 1.00 0.00 H new ATOM 733 N VAL A 50 -7.127 3.186 3.305 1.00 0.00 N ATOM 734 CA VAL A 50 -6.513 1.921 2.956 1.00 0.00 C ATOM 735 C VAL A 50 -7.566 0.821 2.958 1.00 0.00 C ATOM 736 O VAL A 50 -8.493 0.848 3.765 1.00 0.00 O ATOM 737 CB VAL A 50 -5.399 1.605 3.948 1.00 0.00 C ATOM 738 CG1 VAL A 50 -5.950 1.665 5.370 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.854 0.206 3.672 1.00 0.00 C ATOM 0 H VAL A 50 -8.021 3.100 3.788 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.082 1.984 1.957 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.598 2.336 3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.153 1.439 6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.339 2.664 5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.752 0.935 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.058 -0.021 4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.655 -0.525 3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.459 0.163 2.657 1.00 0.00 H new ATOM 749 N LYS A 51 -7.421 -0.148 2.052 1.00 0.00 N ATOM 750 CA LYS A 51 -8.357 -1.250 1.955 1.00 0.00 C ATOM 751 C LYS A 51 -7.690 -2.538 2.415 1.00 0.00 C ATOM 752 O LYS A 51 -6.468 -2.602 2.529 1.00 0.00 O ATOM 753 CB LYS A 51 -8.844 -1.377 0.515 1.00 0.00 C ATOM 754 CG LYS A 51 -10.070 -0.491 0.312 1.00 0.00 C ATOM 755 CD LYS A 51 -9.963 0.228 -1.029 1.00 0.00 C ATOM 756 CE LYS A 51 -11.061 1.283 -1.130 1.00 0.00 C ATOM 757 NZ LYS A 51 -10.899 2.098 -2.344 1.00 0.00 N ATOM 0 H LYS A 51 -6.658 -0.184 1.376 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.215 -1.060 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.052 -1.084 -0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.092 -2.415 0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.977 -1.095 0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.145 0.236 1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.984 0.697 -1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.055 -0.488 -1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.037 0.797 -1.141 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.035 1.926 -0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.658 2.808 -2.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.977 2.578 -2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.948 1.485 -3.183 1.00 0.00 H new ATOM 771 N GLN A 52 -8.498 -3.568 2.679 1.00 0.00 N ATOM 772 CA GLN A 52 -7.985 -4.847 3.125 1.00 0.00 C ATOM 773 C GLN A 52 -8.521 -5.959 2.233 1.00 0.00 C ATOM 774 O GLN A 52 -9.730 -6.081 2.049 1.00 0.00 O ATOM 775 CB GLN A 52 -8.389 -5.077 4.578 1.00 0.00 C ATOM 776 CG GLN A 52 -9.889 -4.838 4.734 1.00 0.00 C ATOM 777 CD GLN A 52 -10.340 -5.127 6.158 1.00 0.00 C ATOM 778 OE1 GLN A 52 -11.275 -4.502 6.654 1.00 0.00 O ATOM 779 NE2 GLN A 52 -9.671 -6.076 6.817 1.00 0.00 N ATOM 0 H GLN A 52 -9.513 -3.531 2.588 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.897 -4.849 3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.139 -6.094 4.879 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.833 -4.405 5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.126 -3.806 4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.437 -5.474 4.039 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.902 -6.567 6.362 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.929 -6.310 7.776 1.00 0.00 H new ATOM 788 N GLN A 53 -7.617 -6.770 1.680 1.00 0.00 N ATOM 789 CA GLN A 53 -8.003 -7.865 0.811 1.00 0.00 C ATOM 790 C GLN A 53 -7.534 -9.185 1.406 1.00 0.00 C ATOM 791 O GLN A 53 -6.467 -9.253 2.012 1.00 0.00 O ATOM 792 CB GLN A 53 -7.398 -7.649 -0.573 1.00 0.00 C ATOM 793 CG GLN A 53 -7.912 -8.725 -1.526 1.00 0.00 C ATOM 794 CD GLN A 53 -6.866 -9.065 -2.577 1.00 0.00 C ATOM 795 OE1 GLN A 53 -5.671 -9.061 -2.289 1.00 0.00 O ATOM 796 NE2 GLN A 53 -7.318 -9.360 -3.798 1.00 0.00 N ATOM 0 H GLN A 53 -6.611 -6.682 1.824 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.089 -7.898 0.718 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.663 -6.660 -0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.310 -7.688 -0.516 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.172 -9.621 -0.963 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.824 -8.379 -2.013 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.320 -9.350 -3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.661 -9.596 -4.542 1.00 0.00 H new ATOM 805 N VAL A 54 -8.337 -10.237 1.231 1.00 0.00 N ATOM 806 CA VAL A 54 -8.003 -11.549 1.749 1.00 0.00 C ATOM 807 C VAL A 54 -7.781 -12.516 0.596 1.00 0.00 C ATOM 808 O VAL A 54 -8.657 -12.687 -0.251 1.00 0.00 O ATOM 809 CB VAL A 54 -9.128 -12.038 2.657 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.460 -11.925 1.923 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.877 -13.494 3.038 1.00 0.00 C ATOM 0 H VAL A 54 -9.225 -10.197 0.731 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.083 -11.492 2.331 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.159 -11.427 3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.264 -12.274 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.639 -10.885 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.431 -12.535 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.680 -13.844 3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.846 -14.106 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.925 -13.574 3.564 1.00 0.00 H new ATOM 821 N VAL A 55 -6.608 -13.151 0.564 1.00 0.00 N ATOM 822 CA VAL A 55 -6.278 -14.097 -0.484 1.00 0.00 C ATOM 823 C VAL A 55 -5.202 -15.054 0.008 1.00 0.00 C ATOM 824 O VAL A 55 -5.429 -15.818 0.943 1.00 0.00 O ATOM 825 CB VAL A 55 -5.804 -13.340 -1.721 1.00 0.00 C ATOM 826 CG1 VAL A 55 -6.981 -12.598 -2.347 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.725 -12.337 -1.322 1.00 0.00 C ATOM 0 H VAL A 55 -5.873 -13.021 1.259 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.162 -14.678 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.395 -14.046 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.642 -12.057 -3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.752 -13.314 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.392 -11.892 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.386 -11.796 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.134 -11.631 -0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.883 -12.866 -0.876 1.00 0.00 H new ATOM 837 N ALA A 56 -4.027 -15.011 -0.625 1.00 0.00 N ATOM 838 CA ALA A 56 -2.924 -15.874 -0.250 1.00 0.00 C ATOM 839 C ALA A 56 -2.226 -15.312 0.980 1.00 0.00 C ATOM 840 O ALA A 56 -1.078 -15.651 1.254 1.00 0.00 O ATOM 841 CB ALA A 56 -1.951 -15.989 -1.419 1.00 0.00 C ATOM 0 H ALA A 56 -3.823 -14.382 -1.402 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.299 -16.868 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.121 -16.638 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.467 -16.412 -2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.569 -15.000 -1.673 1.00 0.00 H new ATOM 847 N GLY A 57 -2.924 -14.449 1.723 1.00 0.00 N ATOM 848 CA GLY A 57 -2.365 -13.847 2.917 1.00 0.00 C ATOM 849 C GLY A 57 -3.209 -12.657 3.352 1.00 0.00 C ATOM 850 O GLY A 57 -4.434 -12.738 3.384 1.00 0.00 O ATOM 0 H GLY A 57 -3.878 -14.157 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.323 -14.584 3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.341 -13.525 2.725 1.00 0.00 H new ATOM 854 N THR A 58 -2.547 -11.547 3.687 1.00 0.00 N ATOM 855 CA THR A 58 -3.237 -10.349 4.117 1.00 0.00 C ATOM 856 C THR A 58 -2.726 -9.147 3.336 1.00 0.00 C ATOM 857 O THR A 58 -1.642 -8.634 3.619 1.00 0.00 O ATOM 858 CB THR A 58 -3.025 -10.151 5.615 1.00 0.00 C ATOM 859 OG1 THR A 58 -3.637 -11.207 6.320 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.644 -8.823 6.045 1.00 0.00 C ATOM 0 H THR A 58 -1.531 -11.462 3.665 1.00 0.00 H new ATOM 0 HA THR A 58 -4.305 -10.452 3.924 1.00 0.00 H new ATOM 0 HB THR A 58 -1.957 -10.141 5.833 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.500 -11.081 7.282 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.493 -8.681 7.115 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.170 -8.007 5.500 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.712 -8.832 5.827 1.00 0.00 H new ATOM 868 N LEU A 59 -3.508 -8.699 2.353 1.00 0.00 N ATOM 869 CA LEU A 59 -3.135 -7.559 1.516 1.00 0.00 C ATOM 870 C LEU A 59 -3.888 -6.286 1.911 1.00 0.00 C ATOM 871 O LEU A 59 -5.053 -6.333 2.299 1.00 0.00 O ATOM 872 CB LEU A 59 -3.408 -7.891 0.046 1.00 0.00 C ATOM 873 CG LEU A 59 -2.597 -7.057 -0.968 1.00 0.00 C ATOM 874 CD1 LEU A 59 -1.365 -6.436 -0.315 1.00 0.00 C ATOM 875 CD2 LEU A 59 -2.186 -7.905 -2.165 1.00 0.00 C ATOM 0 H LEU A 59 -4.410 -9.112 2.116 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.072 -7.370 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.193 -8.947 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.470 -7.747 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.241 -6.250 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.815 -5.855 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.676 -5.783 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.723 -7.226 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.616 -7.294 -2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.571 -8.739 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.077 -8.290 -2.661 1.00 0.00 H new ATOM 887 N TYR A 60 -3.201 -5.146 1.812 1.00 0.00 N ATOM 888 CA TYR A 60 -3.789 -3.869 2.162 1.00 0.00 C ATOM 889 C TYR A 60 -3.486 -2.846 1.076 1.00 0.00 C ATOM 890 O TYR A 60 -2.327 -2.641 0.719 1.00 0.00 O ATOM 891 CB TYR A 60 -3.239 -3.408 3.508 1.00 0.00 C ATOM 892 CG TYR A 60 -3.740 -4.224 4.675 1.00 0.00 C ATOM 893 CD1 TYR A 60 -5.056 -4.068 5.125 1.00 0.00 C ATOM 894 CD2 TYR A 60 -2.888 -5.136 5.309 1.00 0.00 C ATOM 895 CE1 TYR A 60 -5.522 -4.824 6.207 1.00 0.00 C ATOM 896 CE2 TYR A 60 -3.353 -5.893 6.392 1.00 0.00 C ATOM 897 CZ TYR A 60 -4.670 -5.737 6.840 1.00 0.00 C ATOM 898 OH TYR A 60 -5.123 -6.474 7.894 1.00 0.00 O ATOM 0 H TYR A 60 -2.235 -5.090 1.490 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.871 -3.973 2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.150 -3.456 3.482 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.509 -2.363 3.663 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.713 -3.363 4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.872 -5.256 4.963 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.538 -4.703 6.553 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.696 -6.597 6.881 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.406 -7.059 8.216 1.00 0.00 H new ATOM 908 N TYR A 61 -4.531 -2.206 0.549 1.00 0.00 N ATOM 909 CA TYR A 61 -4.371 -1.211 -0.493 1.00 0.00 C ATOM 910 C TYR A 61 -4.432 0.185 0.112 1.00 0.00 C ATOM 911 O TYR A 61 -5.515 0.732 0.312 1.00 0.00 O ATOM 912 CB TYR A 61 -5.463 -1.394 -1.542 1.00 0.00 C ATOM 913 CG TYR A 61 -5.497 -2.780 -2.141 1.00 0.00 C ATOM 914 CD1 TYR A 61 -5.682 -3.895 -1.316 1.00 0.00 C ATOM 915 CD2 TYR A 61 -5.342 -2.949 -3.522 1.00 0.00 C ATOM 916 CE1 TYR A 61 -5.714 -5.180 -1.873 1.00 0.00 C ATOM 917 CE2 TYR A 61 -5.374 -4.233 -4.078 1.00 0.00 C ATOM 918 CZ TYR A 61 -5.559 -5.348 -3.253 1.00 0.00 C ATOM 919 OH TYR A 61 -5.591 -6.600 -3.795 1.00 0.00 O ATOM 0 H TYR A 61 -5.498 -2.365 0.833 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.400 -1.335 -0.973 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.431 -1.179 -1.089 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.315 -0.666 -2.339 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.800 -3.765 -0.250 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.198 -2.088 -4.158 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.858 -6.041 -1.237 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.256 -4.363 -5.144 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.138 -7.228 -3.195 1.00 0.00 H new ATOM 929 N PHE A 62 -3.264 0.762 0.404 1.00 0.00 N ATOM 930 CA PHE A 62 -3.192 2.088 0.984 1.00 0.00 C ATOM 931 C PHE A 62 -3.308 3.137 -0.113 1.00 0.00 C ATOM 932 O PHE A 62 -2.709 2.998 -1.177 1.00 0.00 O ATOM 933 CB PHE A 62 -1.876 2.239 1.741 1.00 0.00 C ATOM 934 CG PHE A 62 -1.685 1.211 2.830 1.00 0.00 C ATOM 935 CD1 PHE A 62 -1.078 -0.016 2.535 1.00 0.00 C ATOM 936 CD2 PHE A 62 -2.117 1.483 4.133 1.00 0.00 C ATOM 937 CE1 PHE A 62 -0.903 -0.971 3.542 1.00 0.00 C ATOM 938 CE2 PHE A 62 -1.941 0.528 5.142 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.334 -0.699 4.847 1.00 0.00 C ATOM 0 H PHE A 62 -2.357 0.323 0.244 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.016 2.230 1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.049 2.166 1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.832 3.235 2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.745 -0.225 1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.586 2.429 4.360 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.436 -1.918 3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.273 0.738 6.148 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.198 -1.435 5.625 1.00 0.00 H new ATOM 949 N THR A 63 -4.082 4.193 0.149 1.00 0.00 N ATOM 950 CA THR A 63 -4.270 5.257 -0.816 1.00 0.00 C ATOM 951 C THR A 63 -3.778 6.575 -0.237 1.00 0.00 C ATOM 952 O THR A 63 -4.573 7.390 0.226 1.00 0.00 O ATOM 953 CB THR A 63 -5.747 5.349 -1.189 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.202 4.086 -1.622 1.00 0.00 O ATOM 955 CG2 THR A 63 -5.926 6.366 -2.313 1.00 0.00 C ATOM 0 H THR A 63 -4.586 4.326 1.026 1.00 0.00 H new ATOM 0 HA THR A 63 -3.693 5.042 -1.715 1.00 0.00 H new ATOM 0 HB THR A 63 -6.322 5.664 -0.318 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.151 4.144 -1.860 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.981 6.432 -2.580 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.574 7.342 -1.980 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.351 6.051 -3.184 1.00 0.00 H new ATOM 963 N ILE A 64 -2.458 6.782 -0.263 1.00 0.00 N ATOM 964 CA ILE A 64 -1.863 7.997 0.256 1.00 0.00 C ATOM 965 C ILE A 64 -1.528 8.937 -0.893 1.00 0.00 C ATOM 966 O ILE A 64 -1.634 8.560 -2.058 1.00 0.00 O ATOM 967 CB ILE A 64 -0.609 7.648 1.054 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.575 7.504 0.103 1.00 0.00 C ATOM 969 CG2 ILE A 64 -0.829 6.333 1.796 1.00 0.00 C ATOM 970 CD1 ILE A 64 0.338 6.320 -0.830 1.00 0.00 C ATOM 0 H ILE A 64 -1.786 6.115 -0.642 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.569 8.500 0.917 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.403 8.441 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.702 8.418 -0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.494 7.356 0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.066 6.083 2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.675 6.436 2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.035 5.540 1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.184 6.217 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.232 5.409 -0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.572 6.487 -1.406 1.00 0.00 H new ATOM 982 N GLU A 65 -1.122 10.166 -0.563 1.00 0.00 N ATOM 983 CA GLU A 65 -0.775 11.149 -1.570 1.00 0.00 C ATOM 984 C GLU A 65 0.653 11.631 -1.354 1.00 0.00 C ATOM 985 O GLU A 65 1.033 11.981 -0.238 1.00 0.00 O ATOM 986 CB GLU A 65 -1.755 12.317 -1.499 1.00 0.00 C ATOM 987 CG GLU A 65 -1.061 13.593 -1.961 1.00 0.00 C ATOM 988 CD GLU A 65 -2.030 14.501 -2.705 1.00 0.00 C ATOM 989 OE1 GLU A 65 -3.048 14.874 -2.083 1.00 0.00 O ATOM 990 OE2 GLU A 65 -1.736 14.803 -3.881 1.00 0.00 O ATOM 0 H GLU A 65 -1.028 10.496 0.398 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.838 10.697 -2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.623 12.115 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.120 12.438 -0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.651 14.121 -1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.222 13.341 -2.610 1.00 0.00 H new ATOM 997 N VAL A 66 1.446 11.648 -2.428 1.00 0.00 N ATOM 998 CA VAL A 66 2.825 12.085 -2.355 1.00 0.00 C ATOM 999 C VAL A 66 3.058 13.221 -3.340 1.00 0.00 C ATOM 1000 O VAL A 66 2.535 13.199 -4.452 1.00 0.00 O ATOM 1001 CB VAL A 66 3.749 10.908 -2.657 1.00 0.00 C ATOM 1002 CG1 VAL A 66 3.124 9.622 -2.123 1.00 0.00 C ATOM 1003 CG2 VAL A 66 3.944 10.792 -4.166 1.00 0.00 C ATOM 0 H VAL A 66 1.146 11.361 -3.360 1.00 0.00 H new ATOM 0 HA VAL A 66 3.042 12.450 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 66 4.714 11.069 -2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.783 8.781 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.983 9.706 -1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.159 9.459 -2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.604 9.952 -4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.979 10.630 -4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.389 11.711 -4.547 1.00 0.00 H new ATOM 1013 N LYS A 67 3.847 14.218 -2.929 1.00 0.00 N ATOM 1014 CA LYS A 67 4.144 15.354 -3.777 1.00 0.00 C ATOM 1015 C LYS A 67 5.235 14.987 -4.772 1.00 0.00 C ATOM 1016 O LYS A 67 6.378 14.752 -4.388 1.00 0.00 O ATOM 1017 CB LYS A 67 4.578 16.534 -2.911 1.00 0.00 C ATOM 1018 CG LYS A 67 5.888 16.193 -2.207 1.00 0.00 C ATOM 1019 CD LYS A 67 5.810 16.629 -0.746 1.00 0.00 C ATOM 1020 CE LYS A 67 6.181 18.104 -0.635 1.00 0.00 C ATOM 1021 NZ LYS A 67 6.449 18.477 0.762 1.00 0.00 N ATOM 0 H LYS A 67 4.288 14.252 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 67 3.252 15.637 -4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.705 17.424 -3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.806 16.763 -2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.078 15.121 -2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.720 16.693 -2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.804 16.466 -0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.486 16.026 -0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.061 18.308 -1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.371 18.717 -1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.699 19.485 0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.600 18.303 1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.238 17.907 1.128 1.00 0.00 H new ATOM 1035 N GLU A 68 4.878 14.938 -6.058 1.00 0.00 N ATOM 1036 CA GLU A 68 5.826 14.600 -7.100 1.00 0.00 C ATOM 1037 C GLU A 68 6.394 15.871 -7.718 1.00 0.00 C ATOM 1038 O GLU A 68 5.648 16.710 -8.217 1.00 0.00 O ATOM 1039 CB GLU A 68 5.135 13.746 -8.159 1.00 0.00 C ATOM 1040 CG GLU A 68 5.891 13.863 -9.479 1.00 0.00 C ATOM 1041 CD GLU A 68 5.270 14.931 -10.368 1.00 0.00 C ATOM 1042 OE1 GLU A 68 4.075 14.773 -10.694 1.00 0.00 O ATOM 1043 OE2 GLU A 68 6.005 15.886 -10.704 1.00 0.00 O ATOM 0 H GLU A 68 3.934 15.130 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 68 6.651 14.029 -6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.102 12.705 -7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.103 14.072 -8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.935 14.108 -9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.880 12.903 -9.995 1.00 0.00 H new ATOM 1050 N GLY A 69 7.722 16.009 -7.683 1.00 0.00 N ATOM 1051 CA GLY A 69 8.379 17.175 -8.240 1.00 0.00 C ATOM 1052 C GLY A 69 7.751 18.448 -7.689 1.00 0.00 C ATOM 1053 O GLY A 69 7.830 18.718 -6.493 1.00 0.00 O ATOM 0 H GLY A 69 8.356 15.323 -7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.442 17.152 -7.999 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.298 17.162 -9.327 1.00 0.00 H new ATOM 1057 N ASP A 70 7.124 19.232 -8.570 1.00 0.00 N ATOM 1058 CA ASP A 70 6.486 20.471 -8.172 1.00 0.00 C ATOM 1059 C ASP A 70 4.975 20.293 -8.167 1.00 0.00 C ATOM 1060 O ASP A 70 4.241 21.196 -8.565 1.00 0.00 O ATOM 1061 CB ASP A 70 6.897 21.585 -9.131 1.00 0.00 C ATOM 1062 CG ASP A 70 8.350 21.981 -8.911 1.00 0.00 C ATOM 1063 OD1 ASP A 70 8.678 22.323 -7.754 1.00 0.00 O ATOM 1064 OD2 ASP A 70 9.107 21.935 -9.906 1.00 0.00 O ATOM 0 H ASP A 70 7.049 19.022 -9.565 1.00 0.00 H new ATOM 0 HA ASP A 70 6.803 20.742 -7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.758 21.254 -10.160 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.253 22.452 -8.985 1.00 0.00 H new ATOM 1069 N ALA A 71 4.509 19.127 -7.714 1.00 0.00 N ATOM 1070 CA ALA A 71 3.090 18.839 -7.661 1.00 0.00 C ATOM 1071 C ALA A 71 2.825 17.741 -6.641 1.00 0.00 C ATOM 1072 O ALA A 71 3.711 17.379 -5.871 1.00 0.00 O ATOM 1073 CB ALA A 71 2.606 18.419 -9.047 1.00 0.00 C ATOM 0 H ALA A 71 5.104 18.369 -7.379 1.00 0.00 H new ATOM 0 HA ALA A 71 2.544 19.731 -7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.539 18.202 -9.009 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.787 19.227 -9.756 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.146 17.528 -9.367 1.00 0.00 H new ATOM 1079 N LYS A 72 1.600 17.211 -6.637 1.00 0.00 N ATOM 1080 CA LYS A 72 1.226 16.159 -5.713 1.00 0.00 C ATOM 1081 C LYS A 72 0.051 15.370 -6.274 1.00 0.00 C ATOM 1082 O LYS A 72 -0.847 15.941 -6.890 1.00 0.00 O ATOM 1083 CB LYS A 72 0.870 16.772 -4.362 1.00 0.00 C ATOM 1084 CG LYS A 72 -0.116 17.920 -4.570 1.00 0.00 C ATOM 1085 CD LYS A 72 -0.917 18.140 -3.289 1.00 0.00 C ATOM 1086 CE LYS A 72 -1.624 19.490 -3.358 1.00 0.00 C ATOM 1087 NZ LYS A 72 -2.767 19.535 -2.433 1.00 0.00 N ATOM 0 H LYS A 72 0.854 17.500 -7.269 1.00 0.00 H new ATOM 0 HA LYS A 72 2.064 15.475 -5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.432 16.015 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.770 17.136 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.420 18.830 -4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.788 17.691 -5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.647 17.341 -3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.255 18.108 -2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.921 20.286 -3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.968 19.673 -4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.231 20.464 -2.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.447 18.790 -2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.432 19.384 -1.460 1.00 0.00 H new ATOM 1101 N LYS A 73 0.058 14.053 -6.058 1.00 0.00 N ATOM 1102 CA LYS A 73 -1.005 13.195 -6.541 1.00 0.00 C ATOM 1103 C LYS A 73 -1.255 12.071 -5.546 1.00 0.00 C ATOM 1104 O LYS A 73 -0.874 12.175 -4.380 1.00 0.00 O ATOM 1105 CB LYS A 73 -0.620 12.632 -7.907 1.00 0.00 C ATOM 1106 CG LYS A 73 -0.209 13.774 -8.830 1.00 0.00 C ATOM 1107 CD LYS A 73 0.447 13.204 -10.085 1.00 0.00 C ATOM 1108 CE LYS A 73 -0.452 13.463 -11.290 1.00 0.00 C ATOM 1109 NZ LYS A 73 -0.124 12.552 -12.398 1.00 0.00 N ATOM 0 H LYS A 73 0.794 13.564 -5.549 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.924 13.771 -6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.200 11.922 -7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.460 12.087 -8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.081 14.369 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.483 14.440 -8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.423 13.665 -10.240 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.615 12.134 -9.966 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.496 13.333 -11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.338 14.496 -11.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.749 12.748 -13.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.866 12.695 -12.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.256 11.568 -12.089 1.00 0.00 H new ATOM 1123 N LEU A 74 -1.896 10.997 -6.007 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.213 9.850 -5.158 1.00 0.00 C ATOM 1125 C LEU A 74 -1.509 8.575 -5.630 1.00 0.00 C ATOM 1126 O LEU A 74 -1.234 8.404 -6.815 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.728 9.631 -5.133 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.198 8.443 -4.267 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -5.126 8.907 -3.148 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -4.889 7.387 -5.120 1.00 0.00 C ATOM 0 H LEU A 74 -2.208 10.898 -6.973 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.853 10.070 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.206 10.540 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.075 9.477 -6.155 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.312 7.998 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.440 8.047 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.599 9.615 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.003 9.390 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.211 6.561 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.757 7.827 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.194 7.017 -5.874 1.00 0.00 H new ATOM 1142 N TYR A 75 -1.217 7.682 -4.682 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.546 6.435 -4.988 1.00 0.00 C ATOM 1144 C TYR A 75 -1.148 5.308 -4.160 1.00 0.00 C ATOM 1145 O TYR A 75 -1.248 5.416 -2.941 1.00 0.00 O ATOM 1146 CB TYR A 75 0.945 6.579 -4.704 1.00 0.00 C ATOM 1147 CG TYR A 75 1.650 7.528 -5.644 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.323 8.889 -5.639 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.630 7.046 -6.520 1.00 0.00 C ATOM 1150 CE1 TYR A 75 1.975 9.769 -6.511 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.282 7.926 -7.392 1.00 0.00 C ATOM 1152 CZ TYR A 75 2.955 9.288 -7.388 1.00 0.00 C ATOM 1153 OH TYR A 75 3.591 10.144 -8.237 1.00 0.00 O ATOM 0 H TYR A 75 -1.439 7.808 -3.695 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.680 6.194 -6.043 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.079 6.928 -3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.416 5.598 -4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.568 9.260 -4.962 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.883 5.996 -6.523 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.722 10.819 -6.507 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.038 7.554 -8.068 1.00 0.00 H new ATOM 0 HH TYR A 75 4.242 9.647 -8.775 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.548 4.223 -4.829 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.134 3.085 -4.152 1.00 0.00 C ATOM 1165 C GLU A 76 -1.041 2.116 -3.721 1.00 0.00 C ATOM 1166 O GLU A 76 -0.635 1.251 -4.493 1.00 0.00 O ATOM 1167 CB GLU A 76 -3.129 2.397 -5.082 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.778 3.438 -5.990 1.00 0.00 C ATOM 1169 CD GLU A 76 -4.896 2.818 -6.815 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -4.558 2.073 -7.760 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -6.069 3.101 -6.486 1.00 0.00 O ATOM 0 H GLU A 76 -1.472 4.118 -5.841 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.662 3.423 -3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.621 1.642 -5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.892 1.881 -4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.175 4.255 -5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.027 3.867 -6.653 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.566 2.265 -2.483 1.00 0.00 N ATOM 1179 CA ALA A 77 0.476 1.406 -1.956 1.00 0.00 C ATOM 1180 C ALA A 77 -0.129 0.090 -1.489 1.00 0.00 C ATOM 1181 O ALA A 77 -0.951 0.071 -0.575 1.00 0.00 O ATOM 1182 CB ALA A 77 1.184 2.115 -0.805 1.00 0.00 C ATOM 0 H ALA A 77 -0.893 2.978 -1.831 1.00 0.00 H new ATOM 0 HA ALA A 77 1.206 1.191 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.968 1.470 -0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.626 3.043 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.464 2.339 -0.018 1.00 0.00 H new ATOM 1188 N LYS A 78 0.281 -1.014 -2.119 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.221 -2.325 -1.764 1.00 0.00 C ATOM 1190 C LYS A 78 0.888 -3.150 -1.126 1.00 0.00 C ATOM 1191 O LYS A 78 1.907 -3.420 -1.757 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.758 -3.018 -3.013 1.00 0.00 C ATOM 1193 CG LYS A 78 -2.263 -2.783 -3.117 1.00 0.00 C ATOM 1194 CD LYS A 78 -2.531 -1.302 -3.370 1.00 0.00 C ATOM 1195 CE LYS A 78 -2.889 -1.094 -4.840 1.00 0.00 C ATOM 1196 NZ LYS A 78 -1.697 -0.758 -5.632 1.00 0.00 N ATOM 0 H LYS A 78 0.962 -1.016 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.031 -2.223 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.256 -2.632 -3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.548 -4.087 -2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.680 -3.382 -3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.756 -3.101 -2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.345 -0.955 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.651 -0.713 -3.112 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.350 -1.998 -5.237 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.626 -0.295 -4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.986 -0.269 -6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.075 -0.137 -5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.186 -1.630 -5.877 1.00 0.00 H new ATOM 1210 N VAL A 79 0.686 -3.550 0.131 1.00 0.00 N ATOM 1211 CA VAL A 79 1.666 -4.341 0.850 1.00 0.00 C ATOM 1212 C VAL A 79 1.048 -5.665 1.273 1.00 0.00 C ATOM 1213 O VAL A 79 -0.001 -5.688 1.914 1.00 0.00 O ATOM 1214 CB VAL A 79 2.157 -3.559 2.065 1.00 0.00 C ATOM 1215 CG1 VAL A 79 3.442 -4.190 2.592 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.428 -2.113 1.663 1.00 0.00 C ATOM 0 H VAL A 79 -0.154 -3.334 0.668 1.00 0.00 H new ATOM 0 HA VAL A 79 2.517 -4.551 0.202 1.00 0.00 H new ATOM 0 HB VAL A 79 1.395 -3.583 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.792 -3.631 3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.248 -5.223 2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.205 -4.167 1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.779 -1.554 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.189 -2.089 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.510 -1.662 1.287 1.00 0.00 H new ATOM 1226 N TRP A 80 1.702 -6.773 0.915 1.00 0.00 N ATOM 1227 CA TRP A 80 1.214 -8.092 1.261 1.00 0.00 C ATOM 1228 C TRP A 80 2.009 -8.648 2.433 1.00 0.00 C ATOM 1229 O TRP A 80 3.159 -9.052 2.274 1.00 0.00 O ATOM 1230 CB TRP A 80 1.325 -9.010 0.048 1.00 0.00 C ATOM 1231 CG TRP A 80 0.294 -10.090 -0.022 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.828 -10.146 0.727 1.00 0.00 C ATOM 1233 CD2 TRP A 80 0.265 -11.276 -0.872 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -1.546 -11.277 0.401 1.00 0.00 N ATOM 1235 CE2 TRP A 80 -0.916 -12.012 -0.583 1.00 0.00 C ATOM 1236 CE3 TRP A 80 1.116 -11.806 -1.859 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 -1.236 -13.207 -1.234 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 0.804 -13.003 -2.520 1.00 0.00 C ATOM 1239 CH2 TRP A 80 -0.367 -13.705 -2.210 1.00 0.00 C ATOM 0 H TRP A 80 2.573 -6.773 0.384 1.00 0.00 H new ATOM 0 HA TRP A 80 0.167 -8.028 1.557 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.257 -8.404 -0.855 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.313 -9.471 0.049 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -1.119 -9.416 1.468 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -2.432 -11.538 0.833 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.026 -11.282 -2.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -2.143 -13.739 -0.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.474 -13.387 -3.275 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -0.598 -14.627 -2.722 1.00 0.00 H new ATOM 1250 N GLU A 81 1.393 -8.666 3.618 1.00 0.00 N ATOM 1251 CA GLU A 81 2.046 -9.173 4.808 1.00 0.00 C ATOM 1252 C GLU A 81 1.247 -10.333 5.385 1.00 0.00 C ATOM 1253 O GLU A 81 0.036 -10.417 5.189 1.00 0.00 O ATOM 1254 CB GLU A 81 2.179 -8.047 5.831 1.00 0.00 C ATOM 1255 CG GLU A 81 0.838 -7.335 5.981 1.00 0.00 C ATOM 1256 CD GLU A 81 0.008 -7.967 7.089 1.00 0.00 C ATOM 1257 OE1 GLU A 81 0.518 -8.005 8.229 1.00 0.00 O ATOM 1258 OE2 GLU A 81 -1.122 -8.400 6.774 1.00 0.00 O ATOM 0 H GLU A 81 0.441 -8.333 3.770 1.00 0.00 H new ATOM 0 HA GLU A 81 3.041 -9.537 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.498 -8.450 6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.945 -7.340 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.004 -6.281 6.202 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.290 -7.381 5.040 1.00 0.00 H new ATOM 1265 N LYS A 82 1.930 -11.231 6.100 1.00 0.00 N ATOM 1266 CA LYS A 82 1.284 -12.380 6.701 1.00 0.00 C ATOM 1267 C LYS A 82 1.575 -12.416 8.194 1.00 0.00 C ATOM 1268 O LYS A 82 2.730 -12.341 8.606 1.00 0.00 O ATOM 1269 CB LYS A 82 1.778 -13.654 6.023 1.00 0.00 C ATOM 1270 CG LYS A 82 2.151 -13.348 4.575 1.00 0.00 C ATOM 1271 CD LYS A 82 0.896 -12.964 3.796 1.00 0.00 C ATOM 1272 CE LYS A 82 0.968 -13.557 2.392 1.00 0.00 C ATOM 1273 NZ LYS A 82 1.402 -14.962 2.433 1.00 0.00 N ATOM 0 H LYS A 82 2.934 -11.176 6.272 1.00 0.00 H new ATOM 0 HA LYS A 82 0.205 -12.306 6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.642 -14.051 6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.003 -14.420 6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.877 -12.536 4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.623 -14.218 4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.008 -13.330 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.807 -11.879 3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.009 -13.489 1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.661 -12.976 1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.997 -15.474 1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.440 -15.006 2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.076 -15.400 3.318 1.00 0.00 H new ATOM 1287 N PRO A 83 0.521 -12.530 9.006 1.00 0.00 N ATOM 1288 CA PRO A 83 0.605 -12.582 10.450 1.00 0.00 C ATOM 1289 C PRO A 83 1.173 -13.928 10.880 1.00 0.00 C ATOM 1290 O PRO A 83 2.056 -13.988 11.732 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.834 -12.417 10.932 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.646 -13.031 9.793 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.851 -12.621 8.555 1.00 0.00 C ATOM 0 HA PRO A 83 1.257 -11.813 10.865 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.006 -12.934 11.876 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.089 -11.369 11.092 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.720 -14.114 9.886 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.664 -12.643 9.767 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.956 -13.356 7.757 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -1.201 -11.668 8.159 1.00 0.00 H new ATOM 1301 N TRP A 84 0.661 -15.010 10.288 1.00 0.00 N ATOM 1302 CA TRP A 84 1.120 -16.345 10.615 1.00 0.00 C ATOM 1303 C TRP A 84 2.640 -16.398 10.558 1.00 0.00 C ATOM 1304 O TRP A 84 3.256 -17.291 11.135 1.00 0.00 O ATOM 1305 CB TRP A 84 0.508 -17.346 9.639 1.00 0.00 C ATOM 1306 CG TRP A 84 1.036 -17.267 8.243 1.00 0.00 C ATOM 1307 CD1 TRP A 84 2.206 -17.793 7.821 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.438 -16.635 7.071 1.00 0.00 C ATOM 1309 NE1 TRP A 84 2.373 -17.532 6.477 1.00 0.00 N ATOM 1310 CE2 TRP A 84 1.309 -16.818 5.964 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.752 -15.924 6.830 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 1.018 -16.325 4.688 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -1.054 -15.425 5.555 1.00 0.00 C ATOM 1314 CH2 TRP A 84 -0.173 -15.622 4.484 1.00 0.00 C ATOM 0 H TRP A 84 -0.072 -14.978 9.580 1.00 0.00 H new ATOM 0 HA TRP A 84 0.805 -16.603 11.626 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.678 -18.353 10.020 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.571 -17.193 9.613 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.904 -18.335 8.441 1.00 0.00 H new ATOM 0 HE1 TRP A 84 3.181 -17.829 5.931 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.445 -15.760 7.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.705 -16.485 3.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.975 -14.883 5.397 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.413 -15.233 3.506 1.00 0.00 H new ATOM 1325 N MET A 85 3.246 -15.435 9.858 1.00 0.00 N ATOM 1326 CA MET A 85 4.687 -15.378 9.729 1.00 0.00 C ATOM 1327 C MET A 85 5.159 -13.935 9.821 1.00 0.00 C ATOM 1328 O MET A 85 6.291 -13.623 9.458 1.00 0.00 O ATOM 1329 CB MET A 85 5.103 -15.998 8.397 1.00 0.00 C ATOM 1330 CG MET A 85 4.402 -15.266 7.256 1.00 0.00 C ATOM 1331 SD MET A 85 5.116 -15.595 5.625 1.00 0.00 S ATOM 1332 CE MET A 85 4.959 -17.398 5.599 1.00 0.00 C ATOM 0 H MET A 85 2.751 -14.686 9.374 1.00 0.00 H new ATOM 0 HA MET A 85 5.149 -15.942 10.539 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.184 -15.933 8.275 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.843 -17.056 8.379 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.350 -15.552 7.246 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.439 -14.194 7.448 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.893 -17.840 5.250 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.740 -17.759 6.604 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.149 -17.683 4.927 1.00 0.00 H new ATOM 1342 N ASP A 86 4.286 -13.051 10.309 1.00 0.00 N ATOM 1343 CA ASP A 86 4.615 -11.647 10.446 1.00 0.00 C ATOM 1344 C ASP A 86 5.528 -11.218 9.307 1.00 0.00 C ATOM 1345 O ASP A 86 6.515 -10.519 9.530 1.00 0.00 O ATOM 1346 CB ASP A 86 5.286 -11.412 11.797 1.00 0.00 C ATOM 1347 CG ASP A 86 4.264 -11.002 12.848 1.00 0.00 C ATOM 1348 OD1 ASP A 86 3.564 -11.911 13.343 1.00 0.00 O ATOM 1349 OD2 ASP A 86 4.203 -9.787 13.137 1.00 0.00 O ATOM 0 H ASP A 86 3.344 -13.293 10.615 1.00 0.00 H new ATOM 0 HA ASP A 86 3.705 -11.049 10.399 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.797 -12.320 12.116 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.045 -10.636 11.700 1.00 0.00 H new ATOM 1354 N PHE A 87 5.199 -11.639 8.084 1.00 0.00 N ATOM 1355 CA PHE A 87 5.991 -11.296 6.920 1.00 0.00 C ATOM 1356 C PHE A 87 5.323 -10.164 6.155 1.00 0.00 C ATOM 1357 O PHE A 87 4.175 -9.817 6.428 1.00 0.00 O ATOM 1358 CB PHE A 87 6.150 -12.529 6.034 1.00 0.00 C ATOM 1359 CG PHE A 87 6.292 -12.202 4.567 1.00 0.00 C ATOM 1360 CD1 PHE A 87 7.386 -11.450 4.120 1.00 0.00 C ATOM 1361 CD2 PHE A 87 5.329 -12.647 3.654 1.00 0.00 C ATOM 1362 CE1 PHE A 87 7.516 -11.145 2.760 1.00 0.00 C ATOM 1363 CE2 PHE A 87 5.460 -12.342 2.294 1.00 0.00 C ATOM 1364 CZ PHE A 87 6.554 -11.592 1.847 1.00 0.00 C ATOM 0 H PHE A 87 4.385 -12.220 7.882 1.00 0.00 H new ATOM 0 HA PHE A 87 6.979 -10.960 7.234 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.026 -13.090 6.360 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.286 -13.179 6.171 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.129 -11.106 4.824 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.485 -13.226 3.999 1.00 0.00 H new ATOM 0 HE1 PHE A 87 8.359 -10.565 2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.717 -12.685 1.590 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.656 -11.358 0.798 1.00 0.00 H new ATOM 1374 N LYS A 88 6.044 -9.585 5.192 1.00 0.00 N ATOM 1375 CA LYS A 88 5.517 -8.496 4.394 1.00 0.00 C ATOM 1376 C LYS A 88 6.446 -8.218 3.220 1.00 0.00 C ATOM 1377 O LYS A 88 7.641 -8.495 3.290 1.00 0.00 O ATOM 1378 CB LYS A 88 5.364 -7.254 5.267 1.00 0.00 C ATOM 1379 CG LYS A 88 6.742 -6.762 5.697 1.00 0.00 C ATOM 1380 CD LYS A 88 6.697 -5.254 5.924 1.00 0.00 C ATOM 1381 CE LYS A 88 7.066 -4.945 7.372 1.00 0.00 C ATOM 1382 NZ LYS A 88 5.983 -5.334 8.287 1.00 0.00 N ATOM 0 H LYS A 88 6.997 -9.859 4.952 1.00 0.00 H new ATOM 0 HA LYS A 88 4.539 -8.771 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.842 -6.471 4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.759 -7.485 6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.052 -7.269 6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.481 -7.003 4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.389 -4.753 5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.701 -4.872 5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.980 -5.475 7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.272 -3.880 7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.259 -5.113 9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.118 -4.809 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.804 -6.355 8.200 1.00 0.00 H new ATOM 1396 N GLU A 89 5.891 -7.668 2.137 1.00 0.00 N ATOM 1397 CA GLU A 89 6.671 -7.355 0.957 1.00 0.00 C ATOM 1398 C GLU A 89 5.900 -6.393 0.064 1.00 0.00 C ATOM 1399 O GLU A 89 4.843 -6.744 -0.461 1.00 0.00 O ATOM 1400 CB GLU A 89 6.999 -8.645 0.209 1.00 0.00 C ATOM 1401 CG GLU A 89 8.201 -8.414 -0.701 1.00 0.00 C ATOM 1402 CD GLU A 89 8.632 -9.711 -1.370 1.00 0.00 C ATOM 1403 OE1 GLU A 89 7.759 -10.340 -2.005 1.00 0.00 O ATOM 1404 OE2 GLU A 89 9.829 -10.048 -1.235 1.00 0.00 O ATOM 0 H GLU A 89 4.901 -7.433 2.062 1.00 0.00 H new ATOM 0 HA GLU A 89 7.603 -6.873 1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.215 -9.444 0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.140 -8.965 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.950 -7.674 -1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.029 -8.007 -0.121 1.00 0.00 H new ATOM 1411 N LEU A 90 6.431 -5.183 -0.107 1.00 0.00 N ATOM 1412 CA LEU A 90 5.791 -4.157 -0.930 1.00 0.00 C ATOM 1413 C LEU A 90 5.494 -4.661 -2.344 1.00 0.00 C ATOM 1414 O LEU A 90 6.372 -5.182 -3.030 1.00 0.00 O ATOM 1415 CB LEU A 90 6.686 -2.917 -0.995 1.00 0.00 C ATOM 1416 CG LEU A 90 5.998 -1.648 -1.538 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.222 -1.944 -2.820 1.00 0.00 C ATOM 1418 CD2 LEU A 90 5.072 -1.041 -0.492 1.00 0.00 C ATOM 0 H LEU A 90 7.310 -4.887 0.317 1.00 0.00 H new ATOM 0 HA LEU A 90 4.838 -3.903 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.065 -2.708 0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.549 -3.142 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 90 6.781 -0.926 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.748 -1.030 -3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.906 -2.320 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.457 -2.694 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.599 -0.147 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.305 -1.766 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.649 -0.774 0.394 1.00 0.00 H new ATOM 1430 N GLN A 91 4.238 -4.503 -2.771 1.00 0.00 N ATOM 1431 CA GLN A 91 3.818 -4.940 -4.086 1.00 0.00 C ATOM 1432 C GLN A 91 3.946 -3.793 -5.077 1.00 0.00 C ATOM 1433 O GLN A 91 4.450 -3.977 -6.183 1.00 0.00 O ATOM 1434 CB GLN A 91 2.376 -5.436 -4.018 1.00 0.00 C ATOM 1435 CG GLN A 91 2.313 -6.704 -3.170 1.00 0.00 C ATOM 1436 CD GLN A 91 2.269 -7.944 -4.050 1.00 0.00 C ATOM 1437 OE1 GLN A 91 2.684 -7.903 -5.205 1.00 0.00 O ATOM 1438 NE2 GLN A 91 1.763 -9.050 -3.499 1.00 0.00 N ATOM 0 H GLN A 91 3.499 -4.073 -2.215 1.00 0.00 H new ATOM 0 HA GLN A 91 4.456 -5.757 -4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.735 -4.666 -3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.002 -5.638 -5.022 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.181 -6.750 -2.513 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.431 -6.675 -2.531 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.431 -9.033 -2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.709 -9.911 -4.042 1.00 0.00 H new ATOM 1447 N GLU A 92 3.489 -2.603 -4.679 1.00 0.00 N ATOM 1448 CA GLU A 92 3.558 -1.435 -5.532 1.00 0.00 C ATOM 1449 C GLU A 92 2.658 -0.336 -4.983 1.00 0.00 C ATOM 1450 O GLU A 92 1.553 -0.606 -4.520 1.00 0.00 O ATOM 1451 CB GLU A 92 3.140 -1.816 -6.949 1.00 0.00 C ATOM 1452 CG GLU A 92 4.356 -1.765 -7.870 1.00 0.00 C ATOM 1453 CD GLU A 92 4.057 -2.430 -9.205 1.00 0.00 C ATOM 1454 OE1 GLU A 92 4.033 -3.680 -9.223 1.00 0.00 O ATOM 1455 OE2 GLU A 92 3.855 -1.677 -10.182 1.00 0.00 O ATOM 0 H GLU A 92 3.067 -2.432 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 92 4.581 -1.060 -5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.708 -2.817 -6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.370 -1.134 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.649 -0.728 -8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.200 -2.263 -7.392 1.00 0.00 H new ATOM 1462 N PHE A 93 3.137 0.909 -5.035 1.00 0.00 N ATOM 1463 CA PHE A 93 2.376 2.041 -4.544 1.00 0.00 C ATOM 1464 C PHE A 93 2.334 3.132 -5.603 1.00 0.00 C ATOM 1465 O PHE A 93 3.218 3.983 -5.658 1.00 0.00 O ATOM 1466 CB PHE A 93 3.011 2.559 -3.257 1.00 0.00 C ATOM 1467 CG PHE A 93 4.060 3.621 -3.489 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.318 3.265 -3.989 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.775 4.961 -3.198 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.291 4.249 -4.201 1.00 0.00 C ATOM 1471 CE2 PHE A 93 4.748 5.945 -3.410 1.00 0.00 C ATOM 1472 CZ PHE A 93 6.005 5.589 -3.911 1.00 0.00 C ATOM 0 H PHE A 93 4.052 1.151 -5.415 1.00 0.00 H new ATOM 0 HA PHE A 93 1.353 1.732 -4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.230 2.965 -2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.463 1.724 -2.722 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.538 2.231 -4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.805 5.235 -2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.261 3.975 -4.588 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.528 6.979 -3.187 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.755 6.348 -4.074 1.00 0.00 H new ATOM 1482 N LYS A 94 1.299 3.106 -6.448 1.00 0.00 N ATOM 1483 CA LYS A 94 1.147 4.093 -7.499 1.00 0.00 C ATOM 1484 C LYS A 94 -0.316 4.193 -7.908 1.00 0.00 C ATOM 1485 O LYS A 94 -1.108 3.301 -7.614 1.00 0.00 O ATOM 1486 CB LYS A 94 2.016 3.702 -8.692 1.00 0.00 C ATOM 1487 CG LYS A 94 3.476 4.014 -8.380 1.00 0.00 C ATOM 1488 CD LYS A 94 4.305 3.898 -9.656 1.00 0.00 C ATOM 1489 CE LYS A 94 5.038 2.558 -9.665 1.00 0.00 C ATOM 1490 NZ LYS A 94 6.238 2.608 -8.816 1.00 0.00 N ATOM 0 H LYS A 94 0.557 2.407 -6.417 1.00 0.00 H new ATOM 0 HA LYS A 94 1.468 5.069 -7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.898 2.640 -8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.698 4.247 -9.581 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.564 5.019 -7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.853 3.324 -7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.659 3.978 -10.531 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.022 4.717 -9.713 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.371 1.772 -9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.321 2.301 -10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.303 1.735 -8.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.083 2.698 -9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.177 3.426 -8.177 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.673 5.285 -8.588 1.00 0.00 N ATOM 1505 CA PRO A 95 -2.014 5.550 -9.059 1.00 0.00 C ATOM 1506 C PRO A 95 -2.337 4.630 -10.229 1.00 0.00 C ATOM 1507 O PRO A 95 -3.405 4.735 -10.827 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.992 7.011 -9.502 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.544 7.207 -9.949 1.00 0.00 C ATOM 1510 CD PRO A 95 0.233 6.353 -8.949 1.00 0.00 C ATOM 0 HA PRO A 95 -2.773 5.374 -8.297 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.695 7.198 -10.314 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.259 7.685 -8.688 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.388 6.873 -10.975 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.245 8.254 -9.906 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.149 5.961 -9.392 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.525 6.935 -8.075 1.00 0.00 H new ATOM 1518 N VAL A 96 -1.407 3.729 -10.553 1.00 0.00 N ATOM 1519 CA VAL A 96 -1.594 2.798 -11.648 1.00 0.00 C ATOM 1520 C VAL A 96 -2.123 3.538 -12.869 1.00 0.00 C ATOM 1521 O VAL A 96 -3.320 3.505 -13.146 1.00 0.00 O ATOM 1522 CB VAL A 96 -2.562 1.698 -11.220 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -2.787 0.737 -12.383 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -1.975 0.937 -10.036 1.00 0.00 C ATOM 0 H VAL A 96 -0.516 3.631 -10.065 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.639 2.341 -11.910 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.513 2.144 -10.929 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.478 -0.048 -12.077 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.207 1.281 -13.229 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.837 0.290 -12.675 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.666 0.151 -9.730 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.024 0.491 -10.326 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.816 1.624 -9.205 1.00 0.00 H new ATOM 1534 N ASP A 97 -1.227 4.208 -13.597 1.00 0.00 N ATOM 1535 CA ASP A 97 -1.608 4.952 -14.781 1.00 0.00 C ATOM 1536 C ASP A 97 -1.189 4.185 -16.028 1.00 0.00 C ATOM 1537 O ASP A 97 -0.001 3.966 -16.253 1.00 0.00 O ATOM 1538 CB ASP A 97 -0.953 6.329 -14.747 1.00 0.00 C ATOM 1539 CG ASP A 97 -1.866 7.349 -14.082 1.00 0.00 C ATOM 1540 OD1 ASP A 97 -3.086 7.278 -14.349 1.00 0.00 O ATOM 1541 OD2 ASP A 97 -1.329 8.181 -13.320 1.00 0.00 O ATOM 0 H ASP A 97 -0.231 4.245 -13.379 1.00 0.00 H new ATOM 0 HA ASP A 97 -2.690 5.080 -14.804 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.008 6.273 -14.206 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.720 6.651 -15.762 1.00 0.00 H new ATOM 1546 N ALA A 98 -2.169 3.776 -16.837 1.00 0.00 N ATOM 1547 CA ALA A 98 -1.897 3.037 -18.053 1.00 0.00 C ATOM 1548 C ALA A 98 -1.381 1.648 -17.708 1.00 0.00 C ATOM 1549 O ALA A 98 -0.217 1.488 -17.346 1.00 0.00 O ATOM 1550 CB ALA A 98 -0.877 3.800 -18.895 1.00 0.00 C ATOM 0 H ALA A 98 -3.159 3.949 -16.663 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.815 2.928 -18.630 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.672 3.244 -19.810 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.276 4.782 -19.149 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.046 3.919 -18.328 1.00 0.00 H new ATOM 1556 N SER A 99 -2.250 0.641 -17.820 1.00 0.00 N ATOM 1557 CA SER A 99 -1.878 -0.726 -17.520 1.00 0.00 C ATOM 1558 C SER A 99 -1.018 -1.286 -18.644 1.00 0.00 C ATOM 1559 O SER A 99 -0.092 -2.056 -18.397 1.00 0.00 O ATOM 1560 CB SER A 99 -3.138 -1.566 -17.332 1.00 0.00 C ATOM 1561 OG SER A 99 -3.892 -1.556 -18.524 1.00 0.00 O ATOM 0 H SER A 99 -3.218 0.757 -18.118 1.00 0.00 H new ATOM 0 HA SER A 99 -1.298 -0.755 -16.598 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.870 -2.589 -17.067 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.733 -1.169 -16.509 1.00 0.00 H new ATOM 0 HG SER A 99 -4.700 -2.097 -18.404 1.00 0.00 H new ATOM 1567 N ALA A 100 -1.328 -0.897 -19.883 1.00 0.00 N ATOM 1568 CA ALA A 100 -0.585 -1.360 -21.038 1.00 0.00 C ATOM 1569 C ALA A 100 0.770 -0.668 -21.090 1.00 0.00 C ATOM 1570 O ALA A 100 0.842 0.556 -21.165 1.00 0.00 O ATOM 1571 CB ALA A 100 -1.387 -1.077 -22.305 1.00 0.00 C ATOM 0 H ALA A 100 -2.093 -0.260 -20.104 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.419 -2.435 -20.962 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.829 -1.425 -23.174 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.343 -1.599 -22.255 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.563 -0.005 -22.392 1.00 0.00 H new ATOM 1577 N ASN A 101 1.847 -1.458 -21.052 1.00 0.00 N ATOM 1578 CA ASN A 101 3.190 -0.916 -21.097 1.00 0.00 C ATOM 1579 C ASN A 101 4.023 -1.679 -22.118 1.00 0.00 C ATOM 1580 O ASN A 101 4.868 -1.097 -22.794 1.00 0.00 O ATOM 1581 CB ASN A 101 3.819 -1.008 -19.710 1.00 0.00 C ATOM 1582 CG ASN A 101 5.070 -0.145 -19.622 1.00 0.00 C ATOM 1583 OD1 ASN A 101 4.995 1.074 -19.760 1.00 0.00 O ATOM 1584 ND2 ASN A 101 6.220 -0.780 -19.391 1.00 0.00 N ATOM 0 H ASN A 101 1.805 -2.475 -20.990 1.00 0.00 H new ATOM 0 HA ASN A 101 3.154 0.131 -21.399 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.098 -0.688 -18.958 1.00 0.00 H new ATOM 0 HB3 ASN A 101 4.072 -2.045 -19.489 1.00 0.00 H new ATOM 0 HD21 ASN A 101 7.090 -0.251 -19.322 1.00 0.00 H new ATOM 0 HD22 ASN A 101 6.230 -1.794 -19.284 1.00 0.00 H new ATOM 1591 N ALA A 102 3.780 -2.987 -22.229 1.00 0.00 N ATOM 1592 CA ALA A 102 4.506 -3.823 -23.164 1.00 0.00 C ATOM 1593 C ALA A 102 5.979 -3.860 -22.785 1.00 0.00 C ATOM 1594 O ALA A 102 6.426 -4.788 -22.115 1.00 0.00 O ATOM 1595 CB ALA A 102 4.324 -3.278 -24.578 1.00 0.00 C ATOM 1596 OXT ALA A 102 6.739 -2.963 -23.148 1.00 0.00 O ATOM 0 H ALA A 102 3.081 -3.484 -21.677 1.00 0.00 H new ATOM 0 HA ALA A 102 4.117 -4.841 -23.128 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.869 -3.906 -25.283 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.265 -3.280 -24.835 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.708 -2.259 -24.627 1.00 0.00 H new TER 1602 ALA A 102