USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 878 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 52 SER OG : rot 91:sc= 1.26 USER MOD Set 1.2: A 61 HIS : no HD1:sc= 1.06 K(o=2.3,f=-3.2) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.513 K(o=-0.51,f=-1.1) USER MOD Set 2.2: A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0755 (180deg=0) 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.26) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 2.19 (180deg=2.11) USER MOD Single : A 14 HIS : no HD1:sc= -0.114 K(o=-0.11,f=-0.97) USER MOD Single : A 16 GLN : amide:sc= 0.455 K(o=0.46,f=-1.8) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.496 X(o=-0.5,f=-0.061) USER MOD Single : A 35 SER OG : rot 170:sc= 0.311 USER MOD Single : A 43 SER OG : rot 180:sc= 0.242 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.857 K(o=0.86,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.171 K(o=-0.17,f=-2.3!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot -27:sc= 0.138 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 1.1 K(o=1.1,f=-0.15) USER MOD Single : A 93 GLN : amide:sc= -2.44 K(o=-2.4,f=-0.49) USER MOD Single : A 96 THR OG1 : rot -170:sc= -0.0731 USER MOD Single : A 97 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0225) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.355 X(o=-0.36,f=-0.16) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.523 2.190 13.505 1.00 0.00 N ATOM 2 CA GLY A 1 26.557 2.650 12.505 1.00 0.00 C ATOM 3 C GLY A 1 25.534 3.539 13.181 1.00 0.00 C ATOM 4 O GLY A 1 25.219 3.334 14.356 1.00 0.00 O ATOM 0 H1 GLY A 1 27.770 1.197 13.318 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.381 2.776 13.455 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.105 2.269 14.454 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.067 3.198 11.713 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.065 1.798 12.037 1.00 0.00 H new ATOM 8 N SER A 2 25.047 4.543 12.458 1.00 0.00 N ATOM 9 CA SER A 2 24.072 5.508 12.936 1.00 0.00 C ATOM 10 C SER A 2 22.965 5.601 11.888 1.00 0.00 C ATOM 11 O SER A 2 23.057 6.390 10.946 1.00 0.00 O ATOM 12 CB SER A 2 24.781 6.842 13.208 1.00 0.00 C ATOM 13 OG SER A 2 25.877 6.641 14.090 1.00 0.00 O ATOM 0 H SER A 2 25.332 4.709 11.493 1.00 0.00 H new ATOM 0 HA SER A 2 23.613 5.209 13.878 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.133 7.274 12.271 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.079 7.554 13.643 1.00 0.00 H new ATOM 0 HG SER A 2 26.324 7.497 14.257 1.00 0.00 H new ATOM 19 N SER A 3 21.964 4.734 12.008 1.00 0.00 N ATOM 20 CA SER A 3 20.812 4.638 11.126 1.00 0.00 C ATOM 21 C SER A 3 19.560 4.300 11.950 1.00 0.00 C ATOM 22 O SER A 3 19.523 4.580 13.153 1.00 0.00 O ATOM 23 CB SER A 3 21.121 3.628 10.018 1.00 0.00 C ATOM 24 OG SER A 3 21.372 2.340 10.545 1.00 0.00 O ATOM 0 H SER A 3 21.936 4.047 12.761 1.00 0.00 H new ATOM 0 HA SER A 3 20.602 5.589 10.636 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.282 3.581 9.323 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.988 3.965 9.449 1.00 0.00 H new ATOM 0 HG SER A 3 21.564 1.718 9.812 1.00 0.00 H new ATOM 30 N GLY A 4 18.534 3.717 11.329 1.00 0.00 N ATOM 31 CA GLY A 4 17.281 3.346 11.966 1.00 0.00 C ATOM 32 C GLY A 4 16.119 3.950 11.189 1.00 0.00 C ATOM 33 O GLY A 4 16.273 4.331 10.022 1.00 0.00 O ATOM 0 H GLY A 4 18.558 3.485 10.336 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.185 2.261 12.000 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.266 3.699 12.997 1.00 0.00 H new ATOM 37 N SER A 5 14.961 4.044 11.841 1.00 0.00 N ATOM 38 CA SER A 5 13.720 4.579 11.297 1.00 0.00 C ATOM 39 C SER A 5 13.776 6.099 11.048 1.00 0.00 C ATOM 40 O SER A 5 13.089 6.878 11.720 1.00 0.00 O ATOM 41 CB SER A 5 12.567 4.200 12.238 1.00 0.00 C ATOM 42 OG SER A 5 12.525 2.800 12.435 1.00 0.00 O ATOM 0 H SER A 5 14.861 3.734 12.808 1.00 0.00 H new ATOM 0 HA SER A 5 13.556 4.136 10.315 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.692 4.704 13.196 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.621 4.542 11.819 1.00 0.00 H new ATOM 0 HG SER A 5 11.786 2.577 13.038 1.00 0.00 H new ATOM 48 N SER A 6 14.576 6.543 10.080 1.00 0.00 N ATOM 49 CA SER A 6 14.711 7.943 9.708 1.00 0.00 C ATOM 50 C SER A 6 13.697 8.206 8.595 1.00 0.00 C ATOM 51 O SER A 6 13.842 7.677 7.488 1.00 0.00 O ATOM 52 CB SER A 6 16.152 8.259 9.305 1.00 0.00 C ATOM 53 OG SER A 6 16.378 9.657 9.266 1.00 0.00 O ATOM 0 H SER A 6 15.161 5.921 9.522 1.00 0.00 H new ATOM 0 HA SER A 6 14.499 8.607 10.546 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.840 7.796 10.012 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.362 7.827 8.327 1.00 0.00 H new ATOM 0 HG SER A 6 17.307 9.831 9.007 1.00 0.00 H new ATOM 59 N GLY A 7 12.639 8.938 8.951 1.00 0.00 N ATOM 60 CA GLY A 7 11.509 9.371 8.140 1.00 0.00 C ATOM 61 C GLY A 7 11.137 8.502 6.941 1.00 0.00 C ATOM 62 O GLY A 7 11.284 8.929 5.798 1.00 0.00 O ATOM 0 H GLY A 7 12.548 9.273 9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.636 9.444 8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.720 10.376 7.776 1.00 0.00 H new ATOM 66 N GLU A 8 10.566 7.320 7.191 1.00 0.00 N ATOM 67 CA GLU A 8 10.136 6.379 6.151 1.00 0.00 C ATOM 68 C GLU A 8 9.183 7.070 5.160 1.00 0.00 C ATOM 69 O GLU A 8 9.185 6.788 3.964 1.00 0.00 O ATOM 70 CB GLU A 8 9.438 5.180 6.822 1.00 0.00 C ATOM 71 CG GLU A 8 9.286 3.957 5.910 1.00 0.00 C ATOM 72 CD GLU A 8 10.598 3.186 5.789 1.00 0.00 C ATOM 73 OE1 GLU A 8 10.836 2.268 6.613 1.00 0.00 O ATOM 74 OE2 GLU A 8 11.431 3.520 4.921 1.00 0.00 O ATOM 0 H GLU A 8 10.386 6.984 8.137 1.00 0.00 H new ATOM 0 HA GLU A 8 11.005 6.030 5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.004 4.892 7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.451 5.491 7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.511 3.300 6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.958 4.277 4.921 1.00 0.00 H new ATOM 81 N VAL A 9 8.390 8.020 5.661 1.00 0.00 N ATOM 82 CA VAL A 9 7.425 8.801 4.908 1.00 0.00 C ATOM 83 C VAL A 9 8.057 9.571 3.740 1.00 0.00 C ATOM 84 O VAL A 9 7.358 9.809 2.757 1.00 0.00 O ATOM 85 CB VAL A 9 6.685 9.732 5.896 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.622 10.754 6.562 1.00 0.00 C ATOM 87 CG2 VAL A 9 5.517 10.474 5.233 1.00 0.00 C ATOM 0 H VAL A 9 8.410 8.272 6.649 1.00 0.00 H new ATOM 0 HA VAL A 9 6.712 8.126 4.435 1.00 0.00 H new ATOM 0 HB VAL A 9 6.290 9.072 6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.049 11.381 7.245 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.399 10.228 7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.083 11.378 5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.029 11.115 5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.893 11.084 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.798 9.751 4.848 1.00 0.00 H new ATOM 97 N GLN A 10 9.321 10.013 3.824 1.00 0.00 N ATOM 98 CA GLN A 10 9.935 10.760 2.722 1.00 0.00 C ATOM 99 C GLN A 10 10.661 9.874 1.724 1.00 0.00 C ATOM 100 O GLN A 10 11.010 10.343 0.636 1.00 0.00 O ATOM 101 CB GLN A 10 10.823 11.907 3.205 1.00 0.00 C ATOM 102 CG GLN A 10 12.012 11.517 4.093 1.00 0.00 C ATOM 103 CD GLN A 10 11.899 11.955 5.558 1.00 0.00 C ATOM 104 OE1 GLN A 10 12.915 12.197 6.214 1.00 0.00 O ATOM 105 NE2 GLN A 10 10.701 12.071 6.109 1.00 0.00 N ATOM 0 H GLN A 10 9.928 9.868 4.631 1.00 0.00 H new ATOM 0 HA GLN A 10 9.099 11.208 2.185 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.207 12.434 2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.201 12.613 3.756 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.129 10.434 4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.919 11.948 3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.865 11.869 5.560 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.613 12.362 7.083 1.00 0.00 H new ATOM 114 N LYS A 11 10.931 8.625 2.084 1.00 0.00 N ATOM 115 CA LYS A 11 11.612 7.697 1.184 1.00 0.00 C ATOM 116 C LYS A 11 10.764 7.576 -0.089 1.00 0.00 C ATOM 117 O LYS A 11 9.534 7.483 0.009 1.00 0.00 O ATOM 118 CB LYS A 11 11.798 6.325 1.843 1.00 0.00 C ATOM 119 CG LYS A 11 12.821 6.363 2.995 1.00 0.00 C ATOM 120 CD LYS A 11 14.155 5.716 2.593 1.00 0.00 C ATOM 121 CE LYS A 11 14.392 4.332 3.212 1.00 0.00 C ATOM 122 NZ LYS A 11 13.305 3.350 3.011 1.00 0.00 N ATOM 0 H LYS A 11 10.689 8.230 2.993 1.00 0.00 H new ATOM 0 HA LYS A 11 12.607 8.072 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.839 5.974 2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.126 5.605 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.994 7.397 3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.412 5.844 3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.191 5.627 1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.970 6.378 2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.312 3.920 2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.553 4.455 4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.583 2.436 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.440 3.690 3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.127 3.233 1.993 1.00 0.00 H new ATOM 136 N PRO A 12 11.375 7.613 -1.284 1.00 0.00 N ATOM 137 CA PRO A 12 10.621 7.503 -2.521 1.00 0.00 C ATOM 138 C PRO A 12 9.964 6.124 -2.540 1.00 0.00 C ATOM 139 O PRO A 12 10.485 5.188 -1.936 1.00 0.00 O ATOM 140 CB PRO A 12 11.625 7.750 -3.652 1.00 0.00 C ATOM 141 CG PRO A 12 12.970 7.399 -3.031 1.00 0.00 C ATOM 142 CD PRO A 12 12.800 7.702 -1.541 1.00 0.00 C ATOM 0 HA PRO A 12 9.813 8.226 -2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.411 7.126 -4.520 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.599 8.786 -3.990 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.221 6.351 -3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.774 7.992 -3.467 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.354 6.989 -0.930 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.181 8.694 -1.297 1.00 0.00 H new ATOM 150 N LEU A 13 8.843 5.972 -3.253 1.00 0.00 N ATOM 151 CA LEU A 13 8.124 4.696 -3.317 1.00 0.00 C ATOM 152 C LEU A 13 9.047 3.528 -3.697 1.00 0.00 C ATOM 153 O LEU A 13 8.896 2.446 -3.143 1.00 0.00 O ATOM 154 CB LEU A 13 6.905 4.817 -4.254 1.00 0.00 C ATOM 155 CG LEU A 13 6.251 3.490 -4.729 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.773 3.719 -5.058 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.914 2.963 -6.012 1.00 0.00 C ATOM 0 H LEU A 13 8.413 6.721 -3.796 1.00 0.00 H new ATOM 0 HA LEU A 13 7.754 4.464 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.143 5.408 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.209 5.380 -5.136 1.00 0.00 H new ATOM 0 HG LEU A 13 6.374 2.771 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.325 2.782 -5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.253 4.075 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.688 4.463 -5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.432 2.034 -6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.809 3.703 -6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.972 2.778 -5.825 1.00 0.00 H new ATOM 169 N HIS A 14 10.014 3.731 -4.597 1.00 0.00 N ATOM 170 CA HIS A 14 10.935 2.674 -5.024 1.00 0.00 C ATOM 171 C HIS A 14 11.964 2.266 -3.950 1.00 0.00 C ATOM 172 O HIS A 14 12.791 1.390 -4.191 1.00 0.00 O ATOM 173 CB HIS A 14 11.572 3.041 -6.367 1.00 0.00 C ATOM 174 CG HIS A 14 12.241 4.389 -6.400 1.00 0.00 C ATOM 175 ND1 HIS A 14 13.423 4.721 -5.779 1.00 0.00 N ATOM 176 CD2 HIS A 14 11.825 5.472 -7.125 1.00 0.00 C ATOM 177 CE1 HIS A 14 13.695 5.998 -6.090 1.00 0.00 C ATOM 178 NE2 HIS A 14 12.763 6.487 -6.929 1.00 0.00 N ATOM 0 H HIS A 14 10.180 4.630 -5.049 1.00 0.00 H new ATOM 0 HA HIS A 14 10.344 1.769 -5.168 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.308 2.279 -6.625 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.802 3.014 -7.138 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.936 5.531 -7.736 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.543 6.555 -5.719 1.00 0.00 H new ATOM 0 HE2 HIS A 14 12.746 7.419 -7.342 1.00 0.00 H new ATOM 186 N GLU A 15 11.944 2.889 -2.770 1.00 0.00 N ATOM 187 CA GLU A 15 12.815 2.613 -1.622 1.00 0.00 C ATOM 188 C GLU A 15 11.957 2.181 -0.428 1.00 0.00 C ATOM 189 O GLU A 15 12.448 2.105 0.700 1.00 0.00 O ATOM 190 CB GLU A 15 13.649 3.847 -1.265 1.00 0.00 C ATOM 191 CG GLU A 15 14.670 4.226 -2.336 1.00 0.00 C ATOM 192 CD GLU A 15 16.023 3.534 -2.183 1.00 0.00 C ATOM 193 OE1 GLU A 15 16.132 2.336 -2.519 1.00 0.00 O ATOM 194 OE2 GLU A 15 16.984 4.236 -1.778 1.00 0.00 O ATOM 0 H GLU A 15 11.283 3.642 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 15 13.503 1.809 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.980 4.691 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.171 3.663 -0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.259 3.983 -3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.822 5.305 -2.312 1.00 0.00 H new ATOM 201 N GLN A 16 10.655 1.983 -0.643 1.00 0.00 N ATOM 202 CA GLN A 16 9.737 1.558 0.396 1.00 0.00 C ATOM 203 C GLN A 16 9.865 0.058 0.574 1.00 0.00 C ATOM 204 O GLN A 16 10.023 -0.689 -0.390 1.00 0.00 O ATOM 205 CB GLN A 16 8.291 1.905 0.034 1.00 0.00 C ATOM 206 CG GLN A 16 8.067 3.417 0.070 1.00 0.00 C ATOM 207 CD GLN A 16 8.164 4.001 1.472 1.00 0.00 C ATOM 208 OE1 GLN A 16 7.980 3.315 2.470 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.462 5.281 1.560 1.00 0.00 N ATOM 0 H GLN A 16 10.212 2.116 -1.552 1.00 0.00 H new ATOM 0 HA GLN A 16 9.989 2.078 1.321 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.059 1.523 -0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.610 1.416 0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.802 3.903 -0.571 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.084 3.643 -0.344 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.610 5.830 0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.545 5.724 2.475 1.00 0.00 H new ATOM 218 N LEU A 17 9.745 -0.378 1.820 1.00 0.00 N ATOM 219 CA LEU A 17 9.824 -1.775 2.225 1.00 0.00 C ATOM 220 C LEU A 17 8.629 -2.596 1.733 1.00 0.00 C ATOM 221 O LEU A 17 8.681 -3.822 1.804 1.00 0.00 O ATOM 222 CB LEU A 17 10.077 -1.909 3.741 1.00 0.00 C ATOM 223 CG LEU A 17 8.926 -1.579 4.714 1.00 0.00 C ATOM 224 CD1 LEU A 17 9.371 -1.901 6.143 1.00 0.00 C ATOM 225 CD2 LEU A 17 8.469 -0.115 4.653 1.00 0.00 C ATOM 0 H LEU A 17 9.584 0.253 2.605 1.00 0.00 H new ATOM 0 HA LEU A 17 10.692 -2.210 1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.390 -2.935 3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.919 -1.265 3.994 1.00 0.00 H new ATOM 0 HG LEU A 17 8.075 -2.189 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.562 -1.670 6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.621 -2.959 6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.247 -1.303 6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.658 0.043 5.364 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.305 0.538 4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.120 0.115 3.647 1.00 0.00 H new ATOM 237 N TRP A 18 7.561 -1.968 1.231 1.00 0.00 N ATOM 238 CA TRP A 18 6.362 -2.616 0.691 1.00 0.00 C ATOM 239 C TRP A 18 6.306 -2.558 -0.840 1.00 0.00 C ATOM 240 O TRP A 18 5.317 -2.999 -1.436 1.00 0.00 O ATOM 241 CB TRP A 18 5.115 -1.970 1.286 1.00 0.00 C ATOM 242 CG TRP A 18 5.151 -0.488 1.493 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.353 0.113 2.683 1.00 0.00 C ATOM 244 CD2 TRP A 18 4.956 0.588 0.527 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.251 1.480 2.531 1.00 0.00 N ATOM 246 CE2 TRP A 18 4.933 1.819 1.240 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.784 0.664 -0.870 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.665 3.040 0.617 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.550 1.893 -1.518 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.467 3.083 -0.772 1.00 0.00 C ATOM 0 H TRP A 18 7.506 -0.950 1.188 1.00 0.00 H new ATOM 0 HA TRP A 18 6.404 -3.669 0.971 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.271 -2.201 0.636 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.915 -2.442 2.248 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.562 -0.397 3.612 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.394 2.154 3.283 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.833 -0.241 -1.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.610 3.947 1.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.434 1.922 -2.591 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.253 4.021 -1.263 1.00 0.00 H new ATOM 261 N TYR A 19 7.312 -1.976 -1.497 1.00 0.00 N ATOM 262 CA TYR A 19 7.329 -1.887 -2.940 1.00 0.00 C ATOM 263 C TYR A 19 7.960 -3.148 -3.525 1.00 0.00 C ATOM 264 O TYR A 19 9.179 -3.231 -3.701 1.00 0.00 O ATOM 265 CB TYR A 19 8.008 -0.594 -3.385 1.00 0.00 C ATOM 266 CG TYR A 19 7.982 -0.467 -4.897 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.739 -0.433 -5.555 1.00 0.00 C ATOM 268 CD2 TYR A 19 9.166 -0.446 -5.655 1.00 0.00 C ATOM 269 CE1 TYR A 19 6.669 -0.359 -6.955 1.00 0.00 C ATOM 270 CE2 TYR A 19 9.111 -0.343 -7.056 1.00 0.00 C ATOM 271 CZ TYR A 19 7.859 -0.300 -7.714 1.00 0.00 C ATOM 272 OH TYR A 19 7.781 -0.231 -9.070 1.00 0.00 O ATOM 0 H TYR A 19 8.124 -1.561 -1.041 1.00 0.00 H new ATOM 0 HA TYR A 19 6.312 -1.838 -3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.504 0.261 -2.935 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.039 -0.579 -3.032 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.828 -0.464 -4.976 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.123 -0.509 -5.158 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.709 -0.347 -7.450 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.025 -0.297 -7.630 1.00 0.00 H new ATOM 0 HH TYR A 19 8.684 -0.195 -9.448 1.00 0.00 H new ATOM 282 N HIS A 20 7.119 -4.140 -3.828 1.00 0.00 N ATOM 283 CA HIS A 20 7.572 -5.406 -4.398 1.00 0.00 C ATOM 284 C HIS A 20 7.893 -5.300 -5.894 1.00 0.00 C ATOM 285 O HIS A 20 8.517 -6.210 -6.436 1.00 0.00 O ATOM 286 CB HIS A 20 6.506 -6.489 -4.189 1.00 0.00 C ATOM 287 CG HIS A 20 6.437 -6.991 -2.773 1.00 0.00 C ATOM 288 ND1 HIS A 20 7.002 -8.149 -2.299 1.00 0.00 N ATOM 289 CD2 HIS A 20 5.910 -6.333 -1.703 1.00 0.00 C ATOM 290 CE1 HIS A 20 6.843 -8.174 -0.968 1.00 0.00 C ATOM 291 NE2 HIS A 20 6.181 -7.080 -0.556 1.00 0.00 N ATOM 0 H HIS A 20 6.110 -4.087 -3.685 1.00 0.00 H new ATOM 0 HA HIS A 20 8.493 -5.672 -3.879 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.532 -6.090 -4.473 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.714 -7.327 -4.854 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.375 -5.395 -1.737 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.197 -8.962 -0.319 1.00 0.00 H new ATOM 0 HE2 HIS A 20 5.927 -6.843 0.403 1.00 0.00 H new ATOM 299 N GLY A 21 7.502 -4.219 -6.574 1.00 0.00 N ATOM 300 CA GLY A 21 7.747 -4.047 -8.001 1.00 0.00 C ATOM 301 C GLY A 21 6.531 -4.514 -8.800 1.00 0.00 C ATOM 302 O GLY A 21 5.419 -4.608 -8.275 1.00 0.00 O ATOM 0 H GLY A 21 7.005 -3.438 -6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.955 -3.000 -8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.628 -4.616 -8.298 1.00 0.00 H new ATOM 306 N ALA A 22 6.709 -4.804 -10.084 1.00 0.00 N ATOM 307 CA ALA A 22 5.645 -5.246 -10.981 1.00 0.00 C ATOM 308 C ALA A 22 5.165 -6.695 -10.777 1.00 0.00 C ATOM 309 O ALA A 22 4.454 -7.204 -11.644 1.00 0.00 O ATOM 310 CB ALA A 22 6.102 -5.014 -12.427 1.00 0.00 C ATOM 0 H ALA A 22 7.618 -4.737 -10.542 1.00 0.00 H new ATOM 0 HA ALA A 22 4.766 -4.647 -10.740 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.319 -5.339 -13.113 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.301 -3.953 -12.580 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.011 -5.585 -12.617 1.00 0.00 H new ATOM 316 N ILE A 23 5.489 -7.347 -9.655 1.00 0.00 N ATOM 317 CA ILE A 23 5.127 -8.736 -9.345 1.00 0.00 C ATOM 318 C ILE A 23 3.722 -9.165 -9.791 1.00 0.00 C ATOM 319 O ILE A 23 2.748 -8.434 -9.566 1.00 0.00 O ATOM 320 CB ILE A 23 5.334 -9.086 -7.857 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.515 -8.223 -6.870 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.823 -9.008 -7.521 1.00 0.00 C ATOM 323 CD1 ILE A 23 4.373 -8.911 -5.508 1.00 0.00 C ATOM 0 H ILE A 23 6.030 -6.907 -8.911 1.00 0.00 H new ATOM 0 HA ILE A 23 5.827 -9.311 -9.951 1.00 0.00 H new ATOM 0 HB ILE A 23 4.958 -10.101 -7.728 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.000 -7.256 -6.741 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.526 -8.031 -7.287 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.972 -9.255 -6.470 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.374 -9.715 -8.142 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.187 -7.998 -7.712 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.792 -8.277 -4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.865 -9.867 -5.634 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.361 -9.080 -5.081 1.00 0.00 H new ATOM 335 N PRO A 24 3.579 -10.352 -10.408 1.00 0.00 N ATOM 336 CA PRO A 24 2.285 -10.837 -10.843 1.00 0.00 C ATOM 337 C PRO A 24 1.428 -11.205 -9.628 1.00 0.00 C ATOM 338 O PRO A 24 1.919 -11.550 -8.550 1.00 0.00 O ATOM 339 CB PRO A 24 2.573 -12.027 -11.761 1.00 0.00 C ATOM 340 CG PRO A 24 3.904 -12.564 -11.249 1.00 0.00 C ATOM 341 CD PRO A 24 4.620 -11.309 -10.750 1.00 0.00 C ATOM 0 HA PRO A 24 1.711 -10.086 -11.386 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.787 -12.780 -11.699 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.640 -11.721 -12.805 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.764 -13.292 -10.450 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.467 -13.062 -12.038 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.241 -11.535 -9.883 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.280 -10.907 -11.518 1.00 0.00 H new ATOM 349 N ARG A 25 0.110 -11.206 -9.821 1.00 0.00 N ATOM 350 CA ARG A 25 -0.873 -11.511 -8.778 1.00 0.00 C ATOM 351 C ARG A 25 -0.699 -12.853 -8.067 1.00 0.00 C ATOM 352 O ARG A 25 -1.267 -13.023 -6.983 1.00 0.00 O ATOM 353 CB ARG A 25 -2.295 -11.408 -9.363 1.00 0.00 C ATOM 354 CG ARG A 25 -2.491 -12.363 -10.557 1.00 0.00 C ATOM 355 CD ARG A 25 -3.959 -12.504 -10.950 1.00 0.00 C ATOM 356 NE ARG A 25 -4.109 -13.505 -12.020 1.00 0.00 N ATOM 357 CZ ARG A 25 -4.235 -14.829 -11.867 1.00 0.00 C ATOM 358 NH1 ARG A 25 -4.298 -15.365 -10.656 1.00 0.00 N ATOM 359 NH2 ARG A 25 -4.303 -15.623 -12.930 1.00 0.00 N ATOM 0 H ARG A 25 -0.314 -10.991 -10.723 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.702 -10.764 -8.002 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.025 -11.640 -8.588 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.484 -10.383 -9.682 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.922 -11.995 -11.411 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.089 -13.344 -10.305 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.548 -12.799 -10.082 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.346 -11.542 -11.286 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.118 -13.153 -12.977 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.250 -14.767 -9.831 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.394 -16.375 -10.550 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.259 -15.224 -13.868 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.399 -16.631 -12.808 1.00 0.00 H new ATOM 373 N ALA A 26 -0.012 -13.822 -8.665 1.00 0.00 N ATOM 374 CA ALA A 26 0.188 -15.114 -8.033 1.00 0.00 C ATOM 375 C ALA A 26 1.189 -15.003 -6.883 1.00 0.00 C ATOM 376 O ALA A 26 1.051 -15.698 -5.884 1.00 0.00 O ATOM 377 CB ALA A 26 0.656 -16.106 -9.088 1.00 0.00 C ATOM 0 H ALA A 26 0.414 -13.733 -9.587 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.750 -15.467 -7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.810 -17.082 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.099 -16.189 -9.870 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.593 -15.759 -9.524 1.00 0.00 H new ATOM 383 N GLU A 27 2.176 -14.119 -7.022 1.00 0.00 N ATOM 384 CA GLU A 27 3.209 -13.903 -6.010 1.00 0.00 C ATOM 385 C GLU A 27 2.589 -13.102 -4.876 1.00 0.00 C ATOM 386 O GLU A 27 2.819 -13.368 -3.703 1.00 0.00 O ATOM 387 CB GLU A 27 4.381 -13.122 -6.623 1.00 0.00 C ATOM 388 CG GLU A 27 5.004 -13.819 -7.839 1.00 0.00 C ATOM 389 CD GLU A 27 5.869 -15.020 -7.479 1.00 0.00 C ATOM 390 OE1 GLU A 27 5.318 -16.087 -7.113 1.00 0.00 O ATOM 391 OE2 GLU A 27 7.112 -14.919 -7.612 1.00 0.00 O ATOM 0 H GLU A 27 2.282 -13.528 -7.847 1.00 0.00 H new ATOM 0 HA GLU A 27 3.586 -14.856 -5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.034 -12.132 -6.919 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.149 -12.977 -5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.207 -14.144 -8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.609 -13.098 -8.389 1.00 0.00 H new ATOM 398 N VAL A 28 1.745 -12.134 -5.237 1.00 0.00 N ATOM 399 CA VAL A 28 1.052 -11.279 -4.293 1.00 0.00 C ATOM 400 C VAL A 28 0.258 -12.134 -3.309 1.00 0.00 C ATOM 401 O VAL A 28 0.320 -11.882 -2.112 1.00 0.00 O ATOM 402 CB VAL A 28 0.147 -10.305 -5.070 1.00 0.00 C ATOM 403 CG1 VAL A 28 -0.766 -9.462 -4.174 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.982 -9.346 -5.922 1.00 0.00 C ATOM 0 H VAL A 28 1.525 -11.925 -6.211 1.00 0.00 H new ATOM 0 HA VAL A 28 1.766 -10.693 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.481 -10.942 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.373 -8.801 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.417 -10.119 -3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.158 -8.866 -3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.320 -8.668 -6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.645 -8.769 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.576 -9.917 -6.636 1.00 0.00 H new ATOM 414 N ALA A 29 -0.453 -13.154 -3.793 1.00 0.00 N ATOM 415 CA ALA A 29 -1.281 -14.019 -2.968 1.00 0.00 C ATOM 416 C ALA A 29 -0.585 -14.656 -1.766 1.00 0.00 C ATOM 417 O ALA A 29 -1.263 -14.909 -0.773 1.00 0.00 O ATOM 418 CB ALA A 29 -1.863 -15.127 -3.839 1.00 0.00 C ATOM 0 H ALA A 29 -0.466 -13.401 -4.783 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.047 -13.366 -2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.486 -15.781 -3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.468 -14.687 -4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.052 -15.707 -4.280 1.00 0.00 H new ATOM 424 N GLU A 30 0.713 -14.950 -1.822 1.00 0.00 N ATOM 425 CA GLU A 30 1.383 -15.564 -0.679 1.00 0.00 C ATOM 426 C GLU A 30 1.906 -14.533 0.320 1.00 0.00 C ATOM 427 O GLU A 30 2.069 -14.867 1.491 1.00 0.00 O ATOM 428 CB GLU A 30 2.489 -16.523 -1.132 1.00 0.00 C ATOM 429 CG GLU A 30 3.443 -15.975 -2.198 1.00 0.00 C ATOM 430 CD GLU A 30 4.583 -16.926 -2.562 1.00 0.00 C ATOM 431 OE1 GLU A 30 4.523 -18.134 -2.231 1.00 0.00 O ATOM 432 OE2 GLU A 30 5.527 -16.444 -3.230 1.00 0.00 O ATOM 0 H GLU A 30 1.311 -14.777 -2.630 1.00 0.00 H new ATOM 0 HA GLU A 30 0.630 -16.148 -0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.075 -16.812 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.024 -17.430 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.873 -15.747 -3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.867 -15.036 -1.843 1.00 0.00 H new ATOM 439 N LEU A 31 2.143 -13.294 -0.114 1.00 0.00 N ATOM 440 CA LEU A 31 2.654 -12.210 0.705 1.00 0.00 C ATOM 441 C LEU A 31 1.704 -11.893 1.850 1.00 0.00 C ATOM 442 O LEU A 31 2.133 -11.825 3.002 1.00 0.00 O ATOM 443 CB LEU A 31 2.881 -10.959 -0.169 1.00 0.00 C ATOM 444 CG LEU A 31 3.986 -11.107 -1.231 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.047 -9.825 -2.063 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.367 -11.386 -0.628 1.00 0.00 C ATOM 0 H LEU A 31 1.976 -13.015 -1.081 1.00 0.00 H new ATOM 0 HA LEU A 31 3.604 -12.522 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.946 -10.708 -0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.130 -10.120 0.480 1.00 0.00 H new ATOM 0 HG LEU A 31 3.730 -11.968 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.827 -9.919 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.086 -9.662 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.272 -8.980 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.101 -11.480 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.650 -10.564 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.334 -12.313 -0.056 1.00 0.00 H new ATOM 458 N LEU A 32 0.428 -11.659 1.541 1.00 0.00 N ATOM 459 CA LEU A 32 -0.573 -11.312 2.548 1.00 0.00 C ATOM 460 C LEU A 32 -1.106 -12.588 3.188 1.00 0.00 C ATOM 461 O LEU A 32 -1.820 -13.344 2.524 1.00 0.00 O ATOM 462 CB LEU A 32 -1.706 -10.436 1.978 1.00 0.00 C ATOM 463 CG LEU A 32 -1.366 -9.619 0.725 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.700 -10.428 -0.529 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.210 -8.357 0.620 1.00 0.00 C ATOM 0 H LEU A 32 0.061 -11.705 0.590 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.093 -10.704 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.554 -11.081 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.032 -9.748 2.758 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.307 -9.372 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.456 -9.842 -1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.119 -11.350 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.763 -10.669 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.936 -7.810 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.265 -8.628 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.035 -7.729 1.493 1.00 0.00 H new ATOM 477 N VAL A 33 -0.777 -12.820 4.459 1.00 0.00 N ATOM 478 CA VAL A 33 -1.195 -14.007 5.193 1.00 0.00 C ATOM 479 C VAL A 33 -2.324 -13.739 6.186 1.00 0.00 C ATOM 480 O VAL A 33 -3.162 -14.629 6.371 1.00 0.00 O ATOM 481 CB VAL A 33 0.020 -14.652 5.896 1.00 0.00 C ATOM 482 CG1 VAL A 33 0.940 -15.326 4.874 1.00 0.00 C ATOM 483 CG2 VAL A 33 0.872 -13.690 6.739 1.00 0.00 C ATOM 0 H VAL A 33 -0.206 -12.180 5.011 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.602 -14.704 4.461 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.421 -15.374 6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.790 -15.774 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.388 -16.101 4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.298 -14.583 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.699 -14.237 7.191 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.266 -12.899 6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.256 -13.251 7.524 1.00 0.00 H new ATOM 493 N HIS A 34 -2.404 -12.548 6.783 1.00 0.00 N ATOM 494 CA HIS A 34 -3.427 -12.191 7.765 1.00 0.00 C ATOM 495 C HIS A 34 -4.085 -10.854 7.425 1.00 0.00 C ATOM 496 O HIS A 34 -3.520 -10.048 6.686 1.00 0.00 O ATOM 497 CB HIS A 34 -2.765 -12.126 9.147 1.00 0.00 C ATOM 498 CG HIS A 34 -2.077 -13.405 9.564 1.00 0.00 C ATOM 499 ND1 HIS A 34 -2.653 -14.653 9.618 1.00 0.00 N ATOM 500 CD2 HIS A 34 -0.769 -13.539 9.944 1.00 0.00 C ATOM 501 CE1 HIS A 34 -1.719 -15.517 10.041 1.00 0.00 C ATOM 502 NE2 HIS A 34 -0.558 -14.882 10.288 1.00 0.00 N ATOM 0 H HIS A 34 -1.747 -11.791 6.593 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.213 -12.946 7.757 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.035 -11.316 9.150 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.523 -11.875 9.889 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.031 -12.751 9.974 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -1.877 -16.578 10.166 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.301 -15.294 10.652 1.00 0.00 H new ATOM 510 N SER A 35 -5.282 -10.594 7.967 1.00 0.00 N ATOM 511 CA SER A 35 -5.997 -9.349 7.705 1.00 0.00 C ATOM 512 C SER A 35 -5.125 -8.144 8.081 1.00 0.00 C ATOM 513 O SER A 35 -4.449 -8.155 9.115 1.00 0.00 O ATOM 514 CB SER A 35 -7.336 -9.318 8.453 1.00 0.00 C ATOM 515 OG SER A 35 -8.232 -10.287 7.936 1.00 0.00 O ATOM 0 H SER A 35 -5.773 -11.235 8.591 1.00 0.00 H new ATOM 0 HA SER A 35 -6.214 -9.294 6.638 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.168 -9.503 9.514 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.780 -8.326 8.369 1.00 0.00 H new ATOM 0 HG SER A 35 -9.011 -10.360 8.526 1.00 0.00 H new ATOM 521 N GLY A 36 -5.143 -7.104 7.247 1.00 0.00 N ATOM 522 CA GLY A 36 -4.399 -5.873 7.419 1.00 0.00 C ATOM 523 C GLY A 36 -3.002 -5.922 6.826 1.00 0.00 C ATOM 524 O GLY A 36 -2.312 -4.900 6.868 1.00 0.00 O ATOM 0 H GLY A 36 -5.705 -7.105 6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.953 -5.056 6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.326 -5.648 8.483 1.00 0.00 H new ATOM 528 N ASP A 37 -2.567 -7.083 6.330 1.00 0.00 N ATOM 529 CA ASP A 37 -1.264 -7.227 5.697 1.00 0.00 C ATOM 530 C ASP A 37 -1.413 -6.494 4.369 1.00 0.00 C ATOM 531 O ASP A 37 -2.383 -6.775 3.660 1.00 0.00 O ATOM 532 CB ASP A 37 -0.927 -8.698 5.392 1.00 0.00 C ATOM 533 CG ASP A 37 -0.466 -9.532 6.583 1.00 0.00 C ATOM 534 OD1 ASP A 37 -0.351 -9.007 7.715 1.00 0.00 O ATOM 535 OD2 ASP A 37 -0.202 -10.735 6.382 1.00 0.00 O ATOM 0 H ASP A 37 -3.111 -7.945 6.358 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.475 -6.844 6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.809 -9.171 4.960 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.147 -8.723 4.631 1.00 0.00 H new ATOM 540 N PHE A 38 -0.507 -5.576 4.016 1.00 0.00 N ATOM 541 CA PHE A 38 -0.569 -4.836 2.754 1.00 0.00 C ATOM 542 C PHE A 38 0.777 -4.757 2.019 1.00 0.00 C ATOM 543 O PHE A 38 1.835 -4.955 2.623 1.00 0.00 O ATOM 544 CB PHE A 38 -1.129 -3.429 3.015 1.00 0.00 C ATOM 545 CG PHE A 38 -0.177 -2.435 3.648 1.00 0.00 C ATOM 546 CD1 PHE A 38 -0.068 -2.316 5.042 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.604 -1.609 2.825 1.00 0.00 C ATOM 548 CE1 PHE A 38 0.834 -1.386 5.588 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.489 -0.668 3.371 1.00 0.00 C ATOM 550 CZ PHE A 38 1.598 -0.547 4.762 1.00 0.00 C ATOM 0 H PHE A 38 0.291 -5.326 4.600 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.234 -5.390 2.091 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.474 -3.017 2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.004 -3.523 3.659 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.672 -2.934 5.690 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.522 -1.700 1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.941 -1.316 6.660 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.083 -0.041 2.723 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.264 0.185 5.195 1.00 0.00 H new ATOM 560 N LEU A 39 0.733 -4.466 0.710 1.00 0.00 N ATOM 561 CA LEU A 39 1.871 -4.301 -0.203 1.00 0.00 C ATOM 562 C LEU A 39 1.405 -3.566 -1.469 1.00 0.00 C ATOM 563 O LEU A 39 0.195 -3.449 -1.702 1.00 0.00 O ATOM 564 CB LEU A 39 2.568 -5.640 -0.542 1.00 0.00 C ATOM 565 CG LEU A 39 1.930 -6.627 -1.548 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.479 -6.911 -1.198 1.00 0.00 C ATOM 567 CD2 LEU A 39 2.047 -6.242 -3.028 1.00 0.00 C ATOM 0 H LEU A 39 -0.157 -4.331 0.231 1.00 0.00 H new ATOM 0 HA LEU A 39 2.626 -3.700 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.563 -5.399 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.702 -6.179 0.396 1.00 0.00 H new ATOM 0 HG LEU A 39 2.530 -7.530 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.059 -7.608 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.424 -7.348 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.089 -5.981 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.566 -7.004 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.559 -5.281 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.099 -6.167 -3.302 1.00 0.00 H new ATOM 579 N VAL A 40 2.329 -3.080 -2.305 1.00 0.00 N ATOM 580 CA VAL A 40 2.021 -2.383 -3.555 1.00 0.00 C ATOM 581 C VAL A 40 2.724 -3.104 -4.695 1.00 0.00 C ATOM 582 O VAL A 40 3.844 -3.598 -4.533 1.00 0.00 O ATOM 583 CB VAL A 40 2.411 -0.881 -3.500 1.00 0.00 C ATOM 584 CG1 VAL A 40 2.845 -0.255 -4.842 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.236 -0.011 -3.042 1.00 0.00 C ATOM 0 H VAL A 40 3.330 -3.162 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 40 0.943 -2.403 -3.718 1.00 0.00 H new ATOM 0 HB VAL A 40 3.253 -0.888 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.095 0.795 -4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.718 -0.784 -5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.029 -0.333 -5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.546 1.034 -3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.405 -0.126 -3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.920 -0.321 -2.046 1.00 0.00 H new ATOM 595 N ARG A 41 2.050 -3.172 -5.847 1.00 0.00 N ATOM 596 CA ARG A 41 2.592 -3.777 -7.052 1.00 0.00 C ATOM 597 C ARG A 41 2.256 -2.836 -8.198 1.00 0.00 C ATOM 598 O ARG A 41 1.320 -2.039 -8.072 1.00 0.00 O ATOM 599 CB ARG A 41 2.029 -5.191 -7.300 1.00 0.00 C ATOM 600 CG ARG A 41 0.632 -5.130 -7.944 1.00 0.00 C ATOM 601 CD ARG A 41 -0.102 -6.468 -7.947 1.00 0.00 C ATOM 602 NE ARG A 41 -1.517 -6.316 -8.352 1.00 0.00 N ATOM 603 CZ ARG A 41 -1.960 -5.954 -9.572 1.00 0.00 C ATOM 604 NH1 ARG A 41 -1.144 -5.745 -10.598 1.00 0.00 N ATOM 605 NH2 ARG A 41 -3.255 -5.794 -9.793 1.00 0.00 N ATOM 0 H ARG A 41 1.106 -2.804 -5.963 1.00 0.00 H new ATOM 0 HA ARG A 41 3.670 -3.910 -6.956 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.707 -5.746 -7.948 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.974 -5.734 -6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.028 -4.396 -7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.730 -4.777 -8.971 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.399 -7.156 -8.628 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.054 -6.912 -6.952 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.224 -6.503 -7.641 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.137 -5.857 -10.480 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.524 -5.472 -11.504 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.924 -5.945 -9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.584 -5.520 -10.719 1.00 0.00 H new ATOM 619 N GLU A 42 2.947 -2.970 -9.318 1.00 0.00 N ATOM 620 CA GLU A 42 2.719 -2.173 -10.514 1.00 0.00 C ATOM 621 C GLU A 42 2.099 -3.123 -11.542 1.00 0.00 C ATOM 622 O GLU A 42 2.530 -4.275 -11.654 1.00 0.00 O ATOM 623 CB GLU A 42 4.052 -1.593 -10.995 1.00 0.00 C ATOM 624 CG GLU A 42 3.883 -0.625 -12.170 1.00 0.00 C ATOM 625 CD GLU A 42 5.253 -0.262 -12.733 1.00 0.00 C ATOM 626 OE1 GLU A 42 5.925 0.644 -12.200 1.00 0.00 O ATOM 627 OE2 GLU A 42 5.720 -0.941 -13.676 1.00 0.00 O ATOM 0 H GLU A 42 3.699 -3.651 -9.424 1.00 0.00 H new ATOM 0 HA GLU A 42 2.053 -1.328 -10.339 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.538 -1.074 -10.169 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.712 -2.408 -11.292 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.269 -1.082 -12.946 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.363 0.275 -11.841 1.00 0.00 H new ATOM 634 N SER A 43 1.086 -2.681 -12.287 1.00 0.00 N ATOM 635 CA SER A 43 0.442 -3.520 -13.292 1.00 0.00 C ATOM 636 C SER A 43 0.905 -3.108 -14.698 1.00 0.00 C ATOM 637 O SER A 43 0.416 -2.117 -15.234 1.00 0.00 O ATOM 638 CB SER A 43 -1.074 -3.476 -13.078 1.00 0.00 C ATOM 639 OG SER A 43 -1.657 -4.708 -13.473 1.00 0.00 O ATOM 0 H SER A 43 0.694 -1.742 -12.211 1.00 0.00 H new ATOM 0 HA SER A 43 0.738 -4.564 -13.188 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.296 -3.279 -12.029 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.507 -2.658 -13.654 1.00 0.00 H new ATOM 0 HG SER A 43 -2.626 -4.672 -13.331 1.00 0.00 H new ATOM 645 N GLN A 44 1.827 -3.887 -15.277 1.00 0.00 N ATOM 646 CA GLN A 44 2.479 -3.771 -16.591 1.00 0.00 C ATOM 647 C GLN A 44 1.990 -2.625 -17.500 1.00 0.00 C ATOM 648 O GLN A 44 2.504 -1.510 -17.438 1.00 0.00 O ATOM 649 CB GLN A 44 2.395 -5.108 -17.359 1.00 0.00 C ATOM 650 CG GLN A 44 3.018 -6.334 -16.688 1.00 0.00 C ATOM 651 CD GLN A 44 2.811 -7.558 -17.581 1.00 0.00 C ATOM 652 OE1 GLN A 44 1.681 -8.015 -17.753 1.00 0.00 O ATOM 653 NE2 GLN A 44 3.847 -8.091 -18.202 1.00 0.00 N ATOM 0 H GLN A 44 2.175 -4.708 -14.781 1.00 0.00 H new ATOM 0 HA GLN A 44 3.510 -3.516 -16.346 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.344 -5.324 -17.550 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.874 -4.972 -18.329 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.082 -6.169 -16.519 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.562 -6.500 -15.712 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.781 -7.708 -18.056 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.713 -8.885 -18.828 1.00 0.00 H new ATOM 662 N GLY A 45 0.987 -2.876 -18.350 1.00 0.00 N ATOM 663 CA GLY A 45 0.448 -1.898 -19.287 1.00 0.00 C ATOM 664 C GLY A 45 -0.481 -0.864 -18.690 1.00 0.00 C ATOM 665 O GLY A 45 -0.897 0.053 -19.398 1.00 0.00 O ATOM 0 H GLY A 45 0.523 -3.783 -18.402 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.281 -1.380 -19.763 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.087 -2.431 -20.073 1.00 0.00 H new ATOM 669 N LYS A 46 -0.910 -1.034 -17.446 1.00 0.00 N ATOM 670 CA LYS A 46 -1.778 -0.071 -16.790 1.00 0.00 C ATOM 671 C LYS A 46 -0.932 0.986 -16.093 1.00 0.00 C ATOM 672 O LYS A 46 -1.499 2.032 -15.791 1.00 0.00 O ATOM 673 CB LYS A 46 -2.712 -0.780 -15.804 1.00 0.00 C ATOM 674 CG LYS A 46 -3.959 -1.308 -16.524 1.00 0.00 C ATOM 675 CD LYS A 46 -4.891 -1.987 -15.516 1.00 0.00 C ATOM 676 CE LYS A 46 -6.293 -2.215 -16.080 1.00 0.00 C ATOM 677 NZ LYS A 46 -6.296 -3.168 -17.203 1.00 0.00 N ATOM 0 H LYS A 46 -0.667 -1.839 -16.868 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.401 0.424 -17.535 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.185 -1.606 -15.326 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.007 -0.090 -15.014 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.479 -0.488 -17.019 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.670 -2.016 -17.300 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.463 -2.944 -15.217 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.959 -1.373 -14.618 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.944 -2.587 -15.289 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.707 -1.263 -16.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.268 -3.290 -17.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.696 -2.803 -17.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.926 -4.085 -16.881 1.00 0.00 H new ATOM 691 N GLN A 47 0.377 0.750 -15.881 1.00 0.00 N ATOM 692 CA GLN A 47 1.346 1.638 -15.222 1.00 0.00 C ATOM 693 C GLN A 47 0.774 2.268 -13.938 1.00 0.00 C ATOM 694 O GLN A 47 1.179 3.347 -13.503 1.00 0.00 O ATOM 695 CB GLN A 47 1.945 2.638 -16.235 1.00 0.00 C ATOM 696 CG GLN A 47 0.924 3.445 -17.051 1.00 0.00 C ATOM 697 CD GLN A 47 1.578 4.598 -17.799 1.00 0.00 C ATOM 698 OE1 GLN A 47 2.169 4.431 -18.865 1.00 0.00 O ATOM 699 NE2 GLN A 47 1.455 5.796 -17.266 1.00 0.00 N ATOM 0 H GLN A 47 0.810 -0.122 -16.186 1.00 0.00 H new ATOM 0 HA GLN A 47 2.189 1.045 -14.867 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.585 3.336 -15.695 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.584 2.089 -16.927 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.426 2.786 -17.763 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.154 3.835 -16.385 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.961 5.912 -16.381 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.854 6.608 -17.738 1.00 0.00 H new ATOM 708 N GLU A 48 -0.160 1.557 -13.302 1.00 0.00 N ATOM 709 CA GLU A 48 -0.855 1.970 -12.105 1.00 0.00 C ATOM 710 C GLU A 48 -0.492 1.043 -10.957 1.00 0.00 C ATOM 711 O GLU A 48 -0.303 -0.167 -11.155 1.00 0.00 O ATOM 712 CB GLU A 48 -2.360 1.965 -12.419 1.00 0.00 C ATOM 713 CG GLU A 48 -3.264 2.426 -11.268 1.00 0.00 C ATOM 714 CD GLU A 48 -2.902 3.836 -10.800 1.00 0.00 C ATOM 715 OE1 GLU A 48 -1.889 3.990 -10.085 1.00 0.00 O ATOM 716 OE2 GLU A 48 -3.525 4.833 -11.235 1.00 0.00 O ATOM 0 H GLU A 48 -0.457 0.639 -13.631 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.566 2.974 -11.795 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.538 2.608 -13.281 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.652 0.956 -12.709 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.305 2.405 -11.591 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.175 1.731 -10.433 1.00 0.00 H new ATOM 723 N TYR A 49 -0.350 1.639 -9.776 1.00 0.00 N ATOM 724 CA TYR A 49 -0.018 0.953 -8.547 1.00 0.00 C ATOM 725 C TYR A 49 -1.303 0.415 -7.930 1.00 0.00 C ATOM 726 O TYR A 49 -2.375 1.016 -8.019 1.00 0.00 O ATOM 727 CB TYR A 49 0.722 1.894 -7.593 1.00 0.00 C ATOM 728 CG TYR A 49 2.090 2.345 -8.072 1.00 0.00 C ATOM 729 CD1 TYR A 49 3.027 1.411 -8.564 1.00 0.00 C ATOM 730 CD2 TYR A 49 2.436 3.707 -8.004 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.283 1.843 -9.021 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.701 4.143 -8.439 1.00 0.00 C ATOM 733 CZ TYR A 49 4.625 3.209 -8.956 1.00 0.00 C ATOM 734 OH TYR A 49 5.843 3.604 -9.402 1.00 0.00 O ATOM 0 H TYR A 49 -0.468 2.645 -9.652 1.00 0.00 H new ATOM 0 HA TYR A 49 0.652 0.117 -8.750 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.104 2.776 -7.424 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.837 1.395 -6.631 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.777 0.361 -8.589 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.726 4.422 -7.615 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.987 1.129 -9.422 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.964 5.189 -8.378 1.00 0.00 H new ATOM 0 HH TYR A 49 5.932 4.574 -9.293 1.00 0.00 H new ATOM 744 N VAL A 50 -1.180 -0.707 -7.232 1.00 0.00 N ATOM 745 CA VAL A 50 -2.304 -1.377 -6.609 1.00 0.00 C ATOM 746 C VAL A 50 -1.935 -1.751 -5.188 1.00 0.00 C ATOM 747 O VAL A 50 -0.962 -2.481 -4.988 1.00 0.00 O ATOM 748 CB VAL A 50 -2.642 -2.617 -7.453 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.832 -3.388 -6.873 1.00 0.00 C ATOM 750 CG2 VAL A 50 -2.887 -2.265 -8.923 1.00 0.00 C ATOM 0 H VAL A 50 -0.287 -1.178 -7.084 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.180 -0.729 -6.564 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.768 -3.267 -7.413 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.041 -4.257 -7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.595 -3.716 -5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.708 -2.740 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.122 -3.172 -9.480 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.722 -1.568 -8.996 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.992 -1.804 -9.341 1.00 0.00 H new ATOM 760 N LEU A 51 -2.672 -1.211 -4.222 1.00 0.00 N ATOM 761 CA LEU A 51 -2.502 -1.469 -2.806 1.00 0.00 C ATOM 762 C LEU A 51 -3.289 -2.743 -2.540 1.00 0.00 C ATOM 763 O LEU A 51 -4.521 -2.716 -2.508 1.00 0.00 O ATOM 764 CB LEU A 51 -3.082 -0.302 -1.997 1.00 0.00 C ATOM 765 CG LEU A 51 -2.967 -0.464 -0.475 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.524 -0.636 0.012 1.00 0.00 C ATOM 767 CD2 LEU A 51 -3.577 0.767 0.197 1.00 0.00 C ATOM 0 H LEU A 51 -3.431 -0.558 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.455 -1.574 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.573 0.616 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.133 -0.182 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.501 -1.376 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.517 -0.745 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.089 -1.525 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.938 0.240 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.502 0.665 1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.039 1.660 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.626 0.855 -0.087 1.00 0.00 H new ATOM 779 N SER A 52 -2.621 -3.889 -2.503 1.00 0.00 N ATOM 780 CA SER A 52 -3.312 -5.130 -2.235 1.00 0.00 C ATOM 781 C SER A 52 -3.224 -5.322 -0.724 1.00 0.00 C ATOM 782 O SER A 52 -2.117 -5.285 -0.190 1.00 0.00 O ATOM 783 CB SER A 52 -2.685 -6.277 -3.031 1.00 0.00 C ATOM 784 OG SER A 52 -3.384 -7.489 -2.829 1.00 0.00 O ATOM 0 H SER A 52 -1.616 -3.979 -2.654 1.00 0.00 H new ATOM 0 HA SER A 52 -4.356 -5.112 -2.549 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.685 -6.028 -4.092 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.644 -6.402 -2.733 1.00 0.00 H new ATOM 0 HG SER A 52 -4.089 -7.577 -3.504 1.00 0.00 H new ATOM 790 N VAL A 53 -4.348 -5.449 -0.019 1.00 0.00 N ATOM 791 CA VAL A 53 -4.335 -5.704 1.428 1.00 0.00 C ATOM 792 C VAL A 53 -5.290 -6.868 1.699 1.00 0.00 C ATOM 793 O VAL A 53 -6.311 -6.990 1.020 1.00 0.00 O ATOM 794 CB VAL A 53 -4.574 -4.468 2.327 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.299 -3.124 1.655 1.00 0.00 C ATOM 796 CG2 VAL A 53 -5.944 -4.396 2.934 1.00 0.00 C ATOM 0 H VAL A 53 -5.282 -5.380 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.321 -5.977 1.720 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.836 -4.632 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.494 -2.317 2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.258 -3.083 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.949 -3.011 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.023 -3.499 3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.692 -4.361 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.114 -5.276 3.554 1.00 0.00 H new ATOM 806 N LEU A 54 -4.966 -7.754 2.637 1.00 0.00 N ATOM 807 CA LEU A 54 -5.846 -8.875 2.948 1.00 0.00 C ATOM 808 C LEU A 54 -6.854 -8.439 3.991 1.00 0.00 C ATOM 809 O LEU A 54 -6.514 -7.679 4.899 1.00 0.00 O ATOM 810 CB LEU A 54 -5.056 -10.047 3.546 1.00 0.00 C ATOM 811 CG LEU A 54 -5.818 -11.388 3.500 1.00 0.00 C ATOM 812 CD1 LEU A 54 -5.557 -12.103 2.177 1.00 0.00 C ATOM 813 CD2 LEU A 54 -5.393 -12.312 4.638 1.00 0.00 C ATOM 0 H LEU A 54 -4.109 -7.718 3.190 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.330 -9.188 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.115 -10.154 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.805 -9.816 4.581 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.878 -11.158 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.101 -13.047 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.893 -11.475 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.490 -12.298 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.950 -13.247 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.326 -12.519 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.600 -11.831 5.594 1.00 0.00 H new ATOM 825 N TRP A 55 -8.086 -8.923 3.890 1.00 0.00 N ATOM 826 CA TRP A 55 -9.096 -8.628 4.876 1.00 0.00 C ATOM 827 C TRP A 55 -10.120 -9.736 4.835 1.00 0.00 C ATOM 828 O TRP A 55 -10.654 -10.057 3.771 1.00 0.00 O ATOM 829 CB TRP A 55 -9.747 -7.269 4.732 1.00 0.00 C ATOM 830 CG TRP A 55 -10.329 -6.861 6.050 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.592 -7.113 6.459 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.655 -6.236 7.186 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.739 -6.708 7.768 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.591 -6.123 8.256 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.348 -5.762 7.428 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.253 -5.547 9.486 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -8.010 -5.151 8.650 1.00 0.00 C ATOM 838 CH2 TRP A 55 -8.964 -5.023 9.671 1.00 0.00 C ATOM 0 H TRP A 55 -8.402 -9.523 3.128 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.604 -8.579 5.847 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.013 -6.534 4.402 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.527 -7.305 3.972 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.366 -7.562 5.854 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.595 -6.827 8.310 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.594 -5.870 6.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.978 -5.506 10.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.008 -4.778 8.803 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.708 -4.524 10.594 1.00 0.00 H new ATOM 849 N ASP A 56 -10.418 -10.277 6.010 1.00 0.00 N ATOM 850 CA ASP A 56 -11.352 -11.376 6.203 1.00 0.00 C ATOM 851 C ASP A 56 -10.928 -12.565 5.334 1.00 0.00 C ATOM 852 O ASP A 56 -11.751 -13.268 4.747 1.00 0.00 O ATOM 853 CB ASP A 56 -12.809 -10.924 6.029 1.00 0.00 C ATOM 854 CG ASP A 56 -13.788 -11.929 6.622 1.00 0.00 C ATOM 855 OD1 ASP A 56 -13.628 -12.290 7.808 1.00 0.00 O ATOM 856 OD2 ASP A 56 -14.778 -12.293 5.944 1.00 0.00 O ATOM 0 H ASP A 56 -10.002 -9.951 6.882 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.313 -11.724 7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.948 -9.955 6.508 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.024 -10.790 4.969 1.00 0.00 H new ATOM 861 N GLY A 57 -9.608 -12.759 5.225 1.00 0.00 N ATOM 862 CA GLY A 57 -8.982 -13.826 4.466 1.00 0.00 C ATOM 863 C GLY A 57 -9.089 -13.664 2.951 1.00 0.00 C ATOM 864 O GLY A 57 -8.942 -14.664 2.254 1.00 0.00 O ATOM 0 H GLY A 57 -8.930 -12.150 5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.929 -13.882 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.437 -14.775 4.752 1.00 0.00 H new ATOM 868 N LEU A 58 -9.337 -12.466 2.408 1.00 0.00 N ATOM 869 CA LEU A 58 -9.471 -12.222 0.968 1.00 0.00 C ATOM 870 C LEU A 58 -8.606 -11.015 0.576 1.00 0.00 C ATOM 871 O LEU A 58 -8.774 -9.964 1.194 1.00 0.00 O ATOM 872 CB LEU A 58 -10.970 -11.982 0.691 1.00 0.00 C ATOM 873 CG LEU A 58 -11.459 -11.903 -0.769 1.00 0.00 C ATOM 874 CD1 LEU A 58 -10.871 -10.735 -1.565 1.00 0.00 C ATOM 875 CD2 LEU A 58 -11.258 -13.225 -1.520 1.00 0.00 C ATOM 0 H LEU A 58 -9.452 -11.622 2.970 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.126 -13.067 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.527 -12.781 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.250 -11.050 1.182 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.529 -11.710 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.266 -10.752 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.143 -9.795 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.785 -10.826 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.617 -13.120 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.198 -13.479 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.816 -14.016 -1.019 1.00 0.00 H new ATOM 887 N PRO A 59 -7.689 -11.112 -0.410 1.00 0.00 N ATOM 888 CA PRO A 59 -6.858 -9.989 -0.822 1.00 0.00 C ATOM 889 C PRO A 59 -7.670 -8.957 -1.612 1.00 0.00 C ATOM 890 O PRO A 59 -8.016 -9.152 -2.784 1.00 0.00 O ATOM 891 CB PRO A 59 -5.702 -10.584 -1.620 1.00 0.00 C ATOM 892 CG PRO A 59 -6.281 -11.863 -2.208 1.00 0.00 C ATOM 893 CD PRO A 59 -7.364 -12.289 -1.210 1.00 0.00 C ATOM 0 HA PRO A 59 -6.470 -9.437 0.034 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.364 -9.903 -2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.842 -10.791 -0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.701 -11.690 -3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.516 -12.632 -2.316 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.247 -12.657 -1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.007 -13.101 -0.576 1.00 0.00 H new ATOM 901 N ARG A 60 -8.057 -7.877 -0.938 1.00 0.00 N ATOM 902 CA ARG A 60 -8.803 -6.765 -1.491 1.00 0.00 C ATOM 903 C ARG A 60 -7.780 -5.898 -2.219 1.00 0.00 C ATOM 904 O ARG A 60 -6.837 -5.382 -1.615 1.00 0.00 O ATOM 905 CB ARG A 60 -9.491 -6.008 -0.355 1.00 0.00 C ATOM 906 CG ARG A 60 -10.567 -6.817 0.385 1.00 0.00 C ATOM 907 CD ARG A 60 -11.791 -7.097 -0.497 1.00 0.00 C ATOM 908 NE ARG A 60 -12.777 -7.962 0.169 1.00 0.00 N ATOM 909 CZ ARG A 60 -13.873 -8.471 -0.403 1.00 0.00 C ATOM 910 NH1 ARG A 60 -14.154 -8.236 -1.681 1.00 0.00 N ATOM 911 NH2 ARG A 60 -14.690 -9.221 0.319 1.00 0.00 N ATOM 0 H ARG A 60 -7.846 -7.754 0.052 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.586 -7.080 -2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.735 -5.689 0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.947 -5.105 -0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.141 -7.762 0.722 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.880 -6.272 1.276 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.264 -6.153 -0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.467 -7.568 -1.425 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.611 -8.193 1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.529 -7.659 -2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.995 -8.633 -2.100 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.480 -9.405 1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.529 -9.615 -0.106 1.00 0.00 H new ATOM 925 N HIS A 61 -7.924 -5.785 -3.532 1.00 0.00 N ATOM 926 CA HIS A 61 -7.033 -5.010 -4.375 1.00 0.00 C ATOM 927 C HIS A 61 -7.585 -3.602 -4.576 1.00 0.00 C ATOM 928 O HIS A 61 -8.495 -3.400 -5.392 1.00 0.00 O ATOM 929 CB HIS A 61 -6.846 -5.719 -5.714 1.00 0.00 C ATOM 930 CG HIS A 61 -6.346 -7.138 -5.634 1.00 0.00 C ATOM 931 ND1 HIS A 61 -5.184 -7.601 -5.048 1.00 0.00 N ATOM 932 CD2 HIS A 61 -6.900 -8.178 -6.320 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.016 -8.879 -5.424 1.00 0.00 C ATOM 934 NE2 HIS A 61 -6.024 -9.263 -6.230 1.00 0.00 N ATOM 0 H HIS A 61 -8.678 -6.239 -4.048 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.062 -4.924 -3.888 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.800 -5.718 -6.242 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.147 -5.140 -6.317 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.847 -8.165 -6.840 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.191 -9.508 -5.123 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.128 -10.169 -6.686 1.00 0.00 H new ATOM 942 N PHE A 62 -7.064 -2.638 -3.823 1.00 0.00 N ATOM 943 CA PHE A 62 -7.471 -1.251 -3.912 1.00 0.00 C ATOM 944 C PHE A 62 -6.563 -0.582 -4.942 1.00 0.00 C ATOM 945 O PHE A 62 -5.376 -0.356 -4.697 1.00 0.00 O ATOM 946 CB PHE A 62 -7.378 -0.573 -2.543 1.00 0.00 C ATOM 947 CG PHE A 62 -8.268 -1.176 -1.480 1.00 0.00 C ATOM 948 CD1 PHE A 62 -7.824 -2.284 -0.736 1.00 0.00 C ATOM 949 CD2 PHE A 62 -9.542 -0.629 -1.232 1.00 0.00 C ATOM 950 CE1 PHE A 62 -8.661 -2.847 0.239 1.00 0.00 C ATOM 951 CE2 PHE A 62 -10.384 -1.206 -0.266 1.00 0.00 C ATOM 952 CZ PHE A 62 -9.947 -2.327 0.462 1.00 0.00 C ATOM 0 H PHE A 62 -6.338 -2.807 -3.127 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.512 -1.166 -4.225 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.344 -0.616 -2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.632 0.481 -2.656 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.843 -2.699 -0.914 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.873 0.237 -1.786 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.314 -3.687 0.823 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -11.364 -0.790 -0.083 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.598 -2.787 1.191 1.00 0.00 H new ATOM 962 N ILE A 63 -7.077 -0.365 -6.150 1.00 0.00 N ATOM 963 CA ILE A 63 -6.328 0.287 -7.218 1.00 0.00 C ATOM 964 C ILE A 63 -6.154 1.729 -6.749 1.00 0.00 C ATOM 965 O ILE A 63 -7.149 2.387 -6.437 1.00 0.00 O ATOM 966 CB ILE A 63 -7.093 0.181 -8.552 1.00 0.00 C ATOM 967 CG1 ILE A 63 -7.188 -1.307 -8.970 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.411 1.008 -9.660 1.00 0.00 C ATOM 969 CD1 ILE A 63 -8.223 -1.536 -10.066 1.00 0.00 C ATOM 0 H ILE A 63 -8.024 -0.636 -6.415 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.360 -0.177 -7.406 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.095 0.587 -8.411 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.213 -1.647 -9.318 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.444 -1.911 -8.100 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.976 0.911 -10.587 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.378 2.056 -9.363 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.396 0.642 -9.814 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.252 -2.595 -10.324 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.205 -1.222 -9.711 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.954 -0.955 -10.948 1.00 0.00 H new ATOM 981 N ILE A 64 -4.910 2.189 -6.629 1.00 0.00 N ATOM 982 CA ILE A 64 -4.644 3.552 -6.194 1.00 0.00 C ATOM 983 C ILE A 64 -5.215 4.461 -7.286 1.00 0.00 C ATOM 984 O ILE A 64 -5.061 4.179 -8.476 1.00 0.00 O ATOM 985 CB ILE A 64 -3.140 3.746 -5.897 1.00 0.00 C ATOM 986 CG1 ILE A 64 -2.708 2.719 -4.817 1.00 0.00 C ATOM 987 CG2 ILE A 64 -2.870 5.190 -5.434 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.233 2.766 -4.415 1.00 0.00 C ATOM 0 H ILE A 64 -4.075 1.637 -6.827 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.125 3.803 -5.249 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.556 3.577 -6.802 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.315 2.879 -3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.935 1.717 -5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.807 5.313 -5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.171 5.886 -6.217 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.441 5.394 -4.528 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.038 2.008 -3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.611 2.572 -5.289 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.997 3.751 -4.013 1.00 0.00 H new ATOM 1000 N GLN A 65 -5.936 5.502 -6.873 1.00 0.00 N ATOM 1001 CA GLN A 65 -6.566 6.457 -7.764 1.00 0.00 C ATOM 1002 C GLN A 65 -5.846 7.798 -7.684 1.00 0.00 C ATOM 1003 O GLN A 65 -5.430 8.193 -6.595 1.00 0.00 O ATOM 1004 CB GLN A 65 -8.013 6.689 -7.294 1.00 0.00 C ATOM 1005 CG GLN A 65 -8.898 5.448 -7.170 1.00 0.00 C ATOM 1006 CD GLN A 65 -9.066 4.782 -8.523 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -9.686 5.341 -9.427 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -8.505 3.603 -8.702 1.00 0.00 N ATOM 0 H GLN A 65 -6.098 5.704 -5.886 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.531 6.068 -8.782 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.981 7.184 -6.323 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.490 7.380 -7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.454 4.746 -6.464 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.873 5.727 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.996 3.159 -7.938 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.580 3.134 -9.605 1.00 0.00 H new ATOM 1017 N SER A 66 -5.789 8.516 -8.803 1.00 0.00 N ATOM 1018 CA SER A 66 -5.196 9.839 -8.977 1.00 0.00 C ATOM 1019 C SER A 66 -6.148 10.649 -9.853 1.00 0.00 C ATOM 1020 O SER A 66 -6.810 10.064 -10.717 1.00 0.00 O ATOM 1021 CB SER A 66 -3.823 9.752 -9.648 1.00 0.00 C ATOM 1022 OG SER A 66 -3.714 8.687 -10.582 1.00 0.00 O ATOM 0 H SER A 66 -6.185 8.163 -9.674 1.00 0.00 H new ATOM 0 HA SER A 66 -5.051 10.310 -8.005 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.616 10.693 -10.157 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.059 9.630 -8.880 1.00 0.00 H new ATOM 0 HG SER A 66 -2.816 8.687 -10.975 1.00 0.00 H new ATOM 1028 N LEU A 67 -6.255 11.965 -9.641 1.00 0.00 N ATOM 1029 CA LEU A 67 -7.132 12.813 -10.451 1.00 0.00 C ATOM 1030 C LEU A 67 -6.726 14.267 -10.335 1.00 0.00 C ATOM 1031 O LEU A 67 -6.369 14.903 -11.330 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.611 12.630 -10.056 1.00 0.00 C ATOM 1033 CG LEU A 67 -9.622 13.293 -11.015 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -10.970 12.577 -10.894 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -9.856 14.782 -10.724 1.00 0.00 C ATOM 0 H LEU A 67 -5.744 12.465 -8.914 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.024 12.505 -11.491 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.829 11.563 -10.001 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.759 13.037 -9.056 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.197 13.211 -12.016 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -11.690 13.040 -11.569 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.849 11.526 -11.158 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.332 12.654 -9.869 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.577 15.183 -11.436 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.242 14.899 -9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.915 15.323 -10.818 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.784 14.798 -9.117 1.00 0.00 N ATOM 1048 CA ASP A 68 -6.455 16.186 -8.822 1.00 0.00 C ATOM 1049 C ASP A 68 -5.022 16.283 -8.308 1.00 0.00 C ATOM 1050 O ASP A 68 -4.766 16.756 -7.205 1.00 0.00 O ATOM 1051 CB ASP A 68 -7.493 16.754 -7.851 1.00 0.00 C ATOM 1052 CG ASP A 68 -7.296 18.251 -7.617 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -7.008 18.976 -8.594 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -7.446 18.706 -6.459 1.00 0.00 O ATOM 0 H ASP A 68 -7.066 14.265 -8.294 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.497 16.795 -9.725 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.494 16.577 -8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.427 16.226 -6.900 1.00 0.00 H new ATOM 1059 N ASN A 69 -4.081 15.778 -9.111 1.00 0.00 N ATOM 1060 CA ASN A 69 -2.629 15.734 -8.896 1.00 0.00 C ATOM 1061 C ASN A 69 -2.164 14.984 -7.644 1.00 0.00 C ATOM 1062 O ASN A 69 -0.960 14.874 -7.416 1.00 0.00 O ATOM 1063 CB ASN A 69 -2.025 17.162 -8.946 1.00 0.00 C ATOM 1064 CG ASN A 69 -1.110 17.405 -10.139 1.00 0.00 C ATOM 1065 OD1 ASN A 69 -0.880 16.540 -10.981 1.00 0.00 O ATOM 1066 ND2 ASN A 69 -0.570 18.602 -10.283 1.00 0.00 N ATOM 0 H ASN A 69 -4.335 15.354 -10.003 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.246 15.137 -9.723 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.837 17.889 -8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.464 17.341 -8.029 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.029 18.798 -11.085 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.752 19.330 -9.592 1.00 0.00 H new ATOM 1073 N LEU A 70 -3.081 14.449 -6.840 1.00 0.00 N ATOM 1074 CA LEU A 70 -2.837 13.717 -5.609 1.00 0.00 C ATOM 1075 C LEU A 70 -3.495 12.355 -5.741 1.00 0.00 C ATOM 1076 O LEU A 70 -4.430 12.204 -6.535 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.498 14.460 -4.425 1.00 0.00 C ATOM 1078 CG LEU A 70 -2.634 15.544 -3.762 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -2.178 16.648 -4.724 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.373 16.152 -2.579 1.00 0.00 C ATOM 0 H LEU A 70 -4.077 14.523 -7.049 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.765 13.626 -5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.421 14.920 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.776 13.727 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.727 15.044 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.573 17.375 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.585 16.209 -5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.051 17.145 -5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.751 16.919 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.305 16.600 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.592 15.374 -1.848 1.00 0.00 H new ATOM 1092 N TYR A 71 -3.014 11.384 -4.964 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.573 10.040 -4.959 1.00 0.00 C ATOM 1094 C TYR A 71 -4.438 9.958 -3.708 1.00 0.00 C ATOM 1095 O TYR A 71 -4.004 10.466 -2.674 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.504 8.944 -4.894 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.368 9.033 -5.879 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.575 8.603 -7.192 1.00 0.00 C ATOM 1099 CD2 TYR A 71 -0.102 9.496 -5.479 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.549 8.710 -8.145 1.00 0.00 C ATOM 1101 CE2 TYR A 71 0.940 9.578 -6.413 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.716 9.207 -7.758 1.00 0.00 C ATOM 1103 OH TYR A 71 1.720 9.321 -8.673 1.00 0.00 O ATOM 0 H TYR A 71 -2.229 11.510 -4.325 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.125 9.874 -5.884 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -2.081 8.943 -3.889 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.997 7.982 -5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.530 8.186 -7.476 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.067 9.788 -4.453 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.726 8.414 -9.168 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.915 9.925 -6.104 1.00 0.00 H new ATOM 0 HH TYR A 71 2.521 9.681 -8.237 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.636 9.377 -3.773 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.542 9.245 -2.623 1.00 0.00 C ATOM 1115 C ARG A 72 -7.466 8.059 -2.820 1.00 0.00 C ATOM 1116 O ARG A 72 -7.699 7.664 -3.962 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.401 10.504 -2.399 1.00 0.00 C ATOM 1118 CG ARG A 72 -8.244 10.993 -3.594 1.00 0.00 C ATOM 1119 CD ARG A 72 -7.540 12.071 -4.427 1.00 0.00 C ATOM 1120 NE ARG A 72 -7.333 13.305 -3.645 1.00 0.00 N ATOM 1121 CZ ARG A 72 -7.828 14.521 -3.904 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -8.602 14.742 -4.962 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -7.541 15.525 -3.085 1.00 0.00 N ATOM 0 H ARG A 72 -6.012 8.979 -4.633 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.912 9.102 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.075 10.311 -1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.741 11.316 -2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.481 10.144 -4.235 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.191 11.388 -3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.579 11.694 -4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.135 12.295 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.747 13.222 -2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.830 13.976 -5.596 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.968 15.677 -5.140 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.950 15.365 -2.270 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.912 16.457 -3.271 1.00 0.00 H new ATOM 1137 N LEU A 73 -7.988 7.511 -1.728 1.00 0.00 N ATOM 1138 CA LEU A 73 -8.898 6.381 -1.739 1.00 0.00 C ATOM 1139 C LEU A 73 -9.952 6.638 -0.668 1.00 0.00 C ATOM 1140 O LEU A 73 -9.729 6.377 0.512 1.00 0.00 O ATOM 1141 CB LEU A 73 -8.198 5.036 -1.485 1.00 0.00 C ATOM 1142 CG LEU A 73 -7.270 4.502 -2.598 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -5.868 5.136 -2.630 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -7.098 2.999 -2.380 1.00 0.00 C ATOM 0 H LEU A 73 -7.782 7.852 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.341 6.299 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.611 5.128 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.966 4.286 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.745 4.756 -3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.289 4.699 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.958 6.211 -2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.362 4.948 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.446 2.592 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.655 2.822 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.071 2.510 -2.432 1.00 0.00 H new ATOM 1156 N GLU A 74 -11.076 7.221 -1.074 1.00 0.00 N ATOM 1157 CA GLU A 74 -12.238 7.538 -0.242 1.00 0.00 C ATOM 1158 C GLU A 74 -11.956 8.458 0.960 1.00 0.00 C ATOM 1159 O GLU A 74 -12.780 8.549 1.876 1.00 0.00 O ATOM 1160 CB GLU A 74 -12.963 6.221 0.127 1.00 0.00 C ATOM 1161 CG GLU A 74 -13.837 5.689 -1.016 1.00 0.00 C ATOM 1162 CD GLU A 74 -13.097 5.332 -2.310 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -12.937 6.239 -3.159 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -12.781 4.136 -2.517 1.00 0.00 O ATOM 0 H GLU A 74 -11.210 7.501 -2.045 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.909 8.158 -0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.224 5.466 0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.584 6.387 1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.363 4.802 -0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.595 6.437 -1.248 1.00 0.00 H new ATOM 1171 N GLY A 75 -10.839 9.183 0.947 1.00 0.00 N ATOM 1172 CA GLY A 75 -10.422 10.101 1.994 1.00 0.00 C ATOM 1173 C GLY A 75 -9.490 11.154 1.406 1.00 0.00 C ATOM 1174 O GLY A 75 -9.646 11.535 0.241 1.00 0.00 O ATOM 0 H GLY A 75 -10.176 9.142 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.293 10.580 2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.915 9.555 2.790 1.00 0.00 H new ATOM 1178 N GLU A 76 -8.602 11.693 2.242 1.00 0.00 N ATOM 1179 CA GLU A 76 -7.609 12.693 1.860 1.00 0.00 C ATOM 1180 C GLU A 76 -6.605 12.042 0.894 1.00 0.00 C ATOM 1181 O GLU A 76 -6.594 10.823 0.709 1.00 0.00 O ATOM 1182 CB GLU A 76 -6.910 13.208 3.133 1.00 0.00 C ATOM 1183 CG GLU A 76 -6.071 14.481 2.937 1.00 0.00 C ATOM 1184 CD GLU A 76 -5.659 15.115 4.267 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -6.529 15.694 4.964 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -4.457 15.140 4.609 1.00 0.00 O ATOM 0 H GLU A 76 -8.554 11.438 3.229 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.076 13.540 1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.667 13.402 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.264 12.420 3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.178 14.240 2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.642 15.204 2.354 1.00 0.00 H new ATOM 1193 N GLY A 77 -5.757 12.843 0.255 1.00 0.00 N ATOM 1194 CA GLY A 77 -4.760 12.361 -0.667 1.00 0.00 C ATOM 1195 C GLY A 77 -3.465 13.103 -0.474 1.00 0.00 C ATOM 1196 O GLY A 77 -3.405 14.092 0.254 1.00 0.00 O ATOM 0 H GLY A 77 -5.751 13.856 0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.601 11.293 -0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.111 12.489 -1.691 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.424 12.633 -1.147 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.098 13.229 -1.075 1.00 0.00 C ATOM 1202 C PHE A 78 -0.394 13.132 -2.427 1.00 0.00 C ATOM 1203 O PHE A 78 -0.741 12.243 -3.216 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.270 12.507 -0.009 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.643 12.824 1.425 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -1.730 12.179 2.040 1.00 0.00 C ATOM 1207 CD2 PHE A 78 0.115 13.758 2.156 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.048 12.444 3.383 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.187 14.007 3.502 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.266 13.350 4.119 1.00 0.00 C ATOM 0 H PHE A 78 -2.477 11.821 -1.763 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.199 14.281 -0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.367 11.432 -0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.781 12.757 -0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.325 11.475 1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.930 14.283 1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.890 11.953 3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.411 14.706 4.067 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.493 13.541 5.157 1.00 0.00 H new ATOM 1220 N PRO A 79 0.631 13.973 -2.669 1.00 0.00 N ATOM 1221 CA PRO A 79 1.403 14.013 -3.915 1.00 0.00 C ATOM 1222 C PRO A 79 2.258 12.767 -4.150 1.00 0.00 C ATOM 1223 O PRO A 79 2.888 12.633 -5.199 1.00 0.00 O ATOM 1224 CB PRO A 79 2.322 15.233 -3.770 1.00 0.00 C ATOM 1225 CG PRO A 79 2.500 15.381 -2.265 1.00 0.00 C ATOM 1226 CD PRO A 79 1.098 15.037 -1.782 1.00 0.00 C ATOM 0 HA PRO A 79 0.723 14.063 -4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.277 15.076 -4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.874 16.125 -4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.253 14.700 -1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.800 16.390 -1.981 1.00 0.00 H new ATOM 0 HD2 PRO A 79 1.111 14.705 -0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.441 15.906 -1.831 1.00 0.00 H new ATOM 1234 N SER A 80 2.329 11.869 -3.170 1.00 0.00 N ATOM 1235 CA SER A 80 3.123 10.652 -3.270 1.00 0.00 C ATOM 1236 C SER A 80 2.376 9.541 -2.553 1.00 0.00 C ATOM 1237 O SER A 80 1.612 9.832 -1.631 1.00 0.00 O ATOM 1238 CB SER A 80 4.465 10.901 -2.582 1.00 0.00 C ATOM 1239 OG SER A 80 5.161 12.025 -3.084 1.00 0.00 O ATOM 0 H SER A 80 1.835 11.967 -2.283 1.00 0.00 H new ATOM 0 HA SER A 80 3.290 10.372 -4.310 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.296 11.037 -1.514 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.091 10.016 -2.696 1.00 0.00 H new ATOM 0 HG SER A 80 6.008 12.128 -2.601 1.00 0.00 H new ATOM 1245 N ILE A 81 2.562 8.285 -2.948 1.00 0.00 N ATOM 1246 CA ILE A 81 1.892 7.180 -2.296 1.00 0.00 C ATOM 1247 C ILE A 81 2.402 7.033 -0.848 1.00 0.00 C ATOM 1248 O ILE A 81 1.556 7.012 0.043 1.00 0.00 O ATOM 1249 CB ILE A 81 1.991 5.879 -3.129 1.00 0.00 C ATOM 1250 CG1 ILE A 81 1.195 5.986 -4.454 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.419 4.676 -2.352 1.00 0.00 C ATOM 1252 CD1 ILE A 81 1.957 6.585 -5.631 1.00 0.00 C ATOM 0 H ILE A 81 3.173 8.014 -3.718 1.00 0.00 H new ATOM 0 HA ILE A 81 0.825 7.394 -2.234 1.00 0.00 H new ATOM 0 HB ILE A 81 3.051 5.734 -3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.854 4.989 -4.734 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.305 6.589 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.502 3.776 -2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.980 4.540 -1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.371 4.860 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.309 6.614 -6.507 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.275 7.597 -5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.832 5.973 -5.847 1.00 0.00 H new ATOM 1264 N PRO A 82 3.721 7.005 -0.536 1.00 0.00 N ATOM 1265 CA PRO A 82 4.171 6.829 0.849 1.00 0.00 C ATOM 1266 C PRO A 82 3.675 7.909 1.813 1.00 0.00 C ATOM 1267 O PRO A 82 3.402 7.609 2.976 1.00 0.00 O ATOM 1268 CB PRO A 82 5.696 6.729 0.805 1.00 0.00 C ATOM 1269 CG PRO A 82 6.092 7.308 -0.547 1.00 0.00 C ATOM 1270 CD PRO A 82 4.876 7.032 -1.428 1.00 0.00 C ATOM 0 HA PRO A 82 3.732 5.919 1.259 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.152 7.288 1.622 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.026 5.695 0.903 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.304 8.375 -0.479 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.989 6.829 -0.941 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.763 7.806 -2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.984 6.083 -1.953 1.00 0.00 H new ATOM 1278 N LEU A 83 3.517 9.137 1.311 1.00 0.00 N ATOM 1279 CA LEU A 83 3.033 10.302 2.051 1.00 0.00 C ATOM 1280 C LEU A 83 1.654 9.995 2.663 1.00 0.00 C ATOM 1281 O LEU A 83 1.376 10.378 3.798 1.00 0.00 O ATOM 1282 CB LEU A 83 2.933 11.491 1.065 1.00 0.00 C ATOM 1283 CG LEU A 83 4.150 12.415 0.872 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.223 13.414 2.027 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.487 11.671 0.811 1.00 0.00 C ATOM 0 H LEU A 83 3.732 9.354 0.338 1.00 0.00 H new ATOM 0 HA LEU A 83 3.718 10.550 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.672 11.085 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.097 12.113 1.386 1.00 0.00 H new ATOM 0 HG LEU A 83 4.001 12.909 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.085 14.067 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.313 14.013 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.324 12.875 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.296 12.388 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.641 11.123 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.476 10.972 -0.025 1.00 0.00 H new ATOM 1297 N LEU A 84 0.803 9.309 1.893 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.557 8.901 2.235 1.00 0.00 C ATOM 1299 C LEU A 84 -0.575 7.646 3.096 1.00 0.00 C ATOM 1300 O LEU A 84 -1.278 7.631 4.102 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.322 8.736 0.913 1.00 0.00 C ATOM 1302 CG LEU A 84 -2.722 8.108 0.878 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -2.650 6.581 0.960 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -3.695 8.723 1.881 1.00 0.00 C ATOM 0 H LEU A 84 1.066 9.006 0.955 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.046 9.658 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.407 9.728 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.690 8.143 0.252 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.149 8.354 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.658 6.167 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.078 6.198 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.163 6.289 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.663 8.229 1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.306 8.594 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.811 9.786 1.670 1.00 0.00 H new ATOM 1316 N ILE A 85 0.186 6.602 2.744 1.00 0.00 N ATOM 1317 CA ILE A 85 0.230 5.360 3.527 1.00 0.00 C ATOM 1318 C ILE A 85 0.559 5.692 4.983 1.00 0.00 C ATOM 1319 O ILE A 85 -0.020 5.100 5.893 1.00 0.00 O ATOM 1320 CB ILE A 85 1.251 4.375 2.921 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.893 4.016 1.466 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.431 3.087 3.747 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.403 3.220 1.265 1.00 0.00 C ATOM 0 H ILE A 85 0.783 6.593 1.917 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.744 4.872 3.497 1.00 0.00 H new ATOM 0 HB ILE A 85 2.204 4.903 2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.820 4.940 0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.717 3.442 1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.163 2.442 3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.780 3.342 4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.477 2.564 3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.550 3.026 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.335 2.273 1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.246 3.794 1.649 1.00 0.00 H new ATOM 1335 N ASP A 86 1.465 6.650 5.190 1.00 0.00 N ATOM 1336 CA ASP A 86 1.875 7.102 6.508 1.00 0.00 C ATOM 1337 C ASP A 86 0.649 7.515 7.322 1.00 0.00 C ATOM 1338 O ASP A 86 0.500 7.071 8.456 1.00 0.00 O ATOM 1339 CB ASP A 86 2.845 8.271 6.342 1.00 0.00 C ATOM 1340 CG ASP A 86 3.429 8.712 7.670 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.184 7.907 8.263 1.00 0.00 O ATOM 1342 OD2 ASP A 86 3.188 9.878 8.053 1.00 0.00 O ATOM 0 H ASP A 86 1.938 7.137 4.429 1.00 0.00 H new ATOM 0 HA ASP A 86 2.375 6.297 7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.652 7.981 5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.327 9.110 5.876 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.241 8.324 6.736 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.461 8.791 7.378 1.00 0.00 C ATOM 1349 C HIS A 87 -2.354 7.628 7.795 1.00 0.00 C ATOM 1350 O HIS A 87 -2.791 7.609 8.946 1.00 0.00 O ATOM 1351 CB HIS A 87 -2.209 9.771 6.453 1.00 0.00 C ATOM 1352 CG HIS A 87 -3.489 10.289 7.056 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -3.607 11.083 8.176 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.752 9.973 6.634 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -4.917 11.229 8.436 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -5.651 10.581 7.515 1.00 0.00 N ATOM 0 H HIS A 87 -0.125 8.675 5.785 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.185 9.322 8.289 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.557 10.613 6.221 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.434 9.272 5.510 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.007 9.366 5.778 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.323 11.787 9.267 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.669 10.541 7.468 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.610 6.667 6.900 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.475 5.515 7.179 1.00 0.00 C ATOM 1366 C LEU A 88 -2.954 4.669 8.317 1.00 0.00 C ATOM 1367 O LEU A 88 -3.728 4.256 9.178 1.00 0.00 O ATOM 1368 CB LEU A 88 -3.649 4.593 5.961 1.00 0.00 C ATOM 1369 CG LEU A 88 -4.766 5.079 5.036 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.318 6.350 4.327 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.134 4.000 4.014 1.00 0.00 C ATOM 0 H LEU A 88 -2.221 6.667 5.957 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.436 5.953 7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.712 4.544 5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.872 3.581 6.300 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.653 5.291 5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.113 6.698 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.097 7.120 5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.423 6.143 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.930 4.368 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.259 3.757 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.475 3.106 4.536 1.00 0.00 H new ATOM 1383 N LEU A 89 -1.662 4.379 8.303 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.027 3.567 9.325 1.00 0.00 C ATOM 1385 C LEU A 89 -1.075 4.299 10.663 1.00 0.00 C ATOM 1386 O LEU A 89 -1.456 3.706 11.673 1.00 0.00 O ATOM 1387 CB LEU A 89 0.403 3.230 8.864 1.00 0.00 C ATOM 1388 CG LEU A 89 0.515 1.873 8.141 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.289 0.690 9.083 1.00 0.00 C ATOM 1390 CD2 LEU A 89 -0.395 1.826 6.924 1.00 0.00 C ATOM 0 H LEU A 89 -1.023 4.703 7.577 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.555 2.625 9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.756 4.017 8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.064 3.226 9.731 1.00 0.00 H new ATOM 0 HG LEU A 89 1.541 1.778 7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.379 -0.242 8.525 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.035 0.710 9.878 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.708 0.757 9.519 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.296 0.858 6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.429 1.970 7.237 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.113 2.616 6.228 1.00 0.00 H new ATOM 1402 N SER A 90 -0.777 5.595 10.643 1.00 0.00 N ATOM 1403 CA SER A 90 -0.749 6.486 11.787 1.00 0.00 C ATOM 1404 C SER A 90 -2.131 6.854 12.349 1.00 0.00 C ATOM 1405 O SER A 90 -2.169 7.444 13.431 1.00 0.00 O ATOM 1406 CB SER A 90 0.002 7.735 11.325 1.00 0.00 C ATOM 1407 OG SER A 90 0.350 8.591 12.390 1.00 0.00 O ATOM 0 H SER A 90 -0.535 6.074 9.775 1.00 0.00 H new ATOM 0 HA SER A 90 -0.259 5.979 12.618 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.907 7.434 10.797 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.616 8.282 10.613 1.00 0.00 H new ATOM 0 HG SER A 90 -0.284 8.470 13.127 1.00 0.00 H new ATOM 1413 N THR A 91 -3.246 6.517 11.689 1.00 0.00 N ATOM 1414 CA THR A 91 -4.600 6.840 12.164 1.00 0.00 C ATOM 1415 C THR A 91 -5.507 5.605 12.227 1.00 0.00 C ATOM 1416 O THR A 91 -6.519 5.638 12.921 1.00 0.00 O ATOM 1417 CB THR A 91 -5.202 7.960 11.286 1.00 0.00 C ATOM 1418 OG1 THR A 91 -6.167 8.739 11.966 1.00 0.00 O ATOM 1419 CG2 THR A 91 -5.763 7.482 9.991 1.00 0.00 C ATOM 0 H THR A 91 -3.235 6.009 10.804 1.00 0.00 H new ATOM 0 HA THR A 91 -4.527 7.202 13.190 1.00 0.00 H new ATOM 0 HB THR A 91 -4.345 8.593 11.056 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.512 9.431 11.364 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.166 8.328 9.434 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.976 7.005 9.407 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.559 6.762 10.183 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.146 4.511 11.544 1.00 0.00 N ATOM 1428 CA GLN A 92 -5.886 3.251 11.472 1.00 0.00 C ATOM 1429 C GLN A 92 -7.278 3.418 10.843 1.00 0.00 C ATOM 1430 O GLN A 92 -8.167 2.592 11.052 1.00 0.00 O ATOM 1431 CB GLN A 92 -5.864 2.516 12.825 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.450 2.072 13.239 1.00 0.00 C ATOM 1433 CD GLN A 92 -3.947 0.960 12.325 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.377 -0.183 12.444 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -3.050 1.248 11.397 1.00 0.00 N ATOM 0 H GLN A 92 -4.284 4.483 10.999 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.369 2.590 10.777 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.275 3.169 13.595 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.513 1.642 12.769 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.769 2.922 13.195 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.460 1.724 14.272 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.699 2.201 11.306 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.710 0.517 10.772 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.455 4.469 10.032 1.00 0.00 N ATOM 1445 CA GLN A 93 -8.718 4.731 9.358 1.00 0.00 C ATOM 1446 C GLN A 93 -9.033 3.585 8.391 1.00 0.00 C ATOM 1447 O GLN A 93 -8.102 3.047 7.773 1.00 0.00 O ATOM 1448 CB GLN A 93 -8.712 6.074 8.603 1.00 0.00 C ATOM 1449 CG GLN A 93 -7.596 6.276 7.562 1.00 0.00 C ATOM 1450 CD GLN A 93 -7.837 7.475 6.645 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -8.770 8.263 6.799 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -6.972 7.639 5.665 1.00 0.00 N ATOM 0 H GLN A 93 -6.727 5.154 9.830 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.492 4.796 10.123 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.672 6.185 8.099 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.642 6.877 9.337 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.645 6.408 8.079 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.507 5.375 6.955 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.203 6.979 5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.071 8.426 5.024 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.309 3.206 8.224 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.669 2.149 7.311 1.00 0.00 C ATOM 1463 C PRO A 94 -10.634 2.682 5.879 1.00 0.00 C ATOM 1464 O PRO A 94 -11.117 3.778 5.598 1.00 0.00 O ATOM 1465 CB PRO A 94 -12.067 1.702 7.726 1.00 0.00 C ATOM 1466 CG PRO A 94 -12.682 2.972 8.314 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.489 3.738 8.884 1.00 0.00 C ATOM 0 HA PRO A 94 -9.980 1.305 7.345 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.641 1.334 6.875 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.031 0.896 8.459 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.201 3.553 7.551 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.412 2.739 9.089 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.589 4.807 8.699 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.423 3.607 9.964 1.00 0.00 H new ATOM 1475 N LEU A 95 -10.109 1.873 4.965 1.00 0.00 N ATOM 1476 CA LEU A 95 -9.985 2.188 3.543 1.00 0.00 C ATOM 1477 C LEU A 95 -11.336 2.493 2.898 1.00 0.00 C ATOM 1478 O LEU A 95 -11.403 3.312 1.991 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.347 0.997 2.801 1.00 0.00 C ATOM 1480 CG LEU A 95 -7.815 1.069 2.707 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -7.281 -0.317 2.336 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -7.369 2.060 1.627 1.00 0.00 C ATOM 0 H LEU A 95 -9.746 0.949 5.200 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.359 3.077 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.627 0.074 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.761 0.945 1.794 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.427 1.401 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.194 -0.281 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.572 -1.036 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.697 -0.622 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.280 2.088 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.761 1.745 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.748 3.054 1.866 1.00 0.00 H new ATOM 1494 N THR A 96 -12.397 1.781 3.286 1.00 0.00 N ATOM 1495 CA THR A 96 -13.738 1.964 2.739 1.00 0.00 C ATOM 1496 C THR A 96 -14.772 1.516 3.778 1.00 0.00 C ATOM 1497 O THR A 96 -14.479 0.631 4.590 1.00 0.00 O ATOM 1498 CB THR A 96 -13.894 1.124 1.450 1.00 0.00 C ATOM 1499 OG1 THR A 96 -13.257 -0.127 1.610 1.00 0.00 O ATOM 1500 CG2 THR A 96 -13.291 1.747 0.188 1.00 0.00 C ATOM 0 H THR A 96 -12.345 1.053 3.998 1.00 0.00 H new ATOM 0 HA THR A 96 -13.895 3.016 2.499 1.00 0.00 H new ATOM 0 HB THR A 96 -14.972 1.050 1.310 1.00 0.00 H new ATOM 0 HG1 THR A 96 -13.221 -0.589 0.746 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.453 1.081 -0.660 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.769 2.707 -0.008 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.221 1.897 0.332 1.00 0.00 H new ATOM 1508 N LYS A 97 -15.994 2.064 3.713 1.00 0.00 N ATOM 1509 CA LYS A 97 -17.089 1.729 4.629 1.00 0.00 C ATOM 1510 C LYS A 97 -17.453 0.256 4.501 1.00 0.00 C ATOM 1511 O LYS A 97 -17.264 -0.477 5.469 1.00 0.00 O ATOM 1512 CB LYS A 97 -18.289 2.663 4.410 1.00 0.00 C ATOM 1513 CG LYS A 97 -19.230 2.760 5.619 1.00 0.00 C ATOM 1514 CD LYS A 97 -19.875 1.464 6.141 1.00 0.00 C ATOM 1515 CE LYS A 97 -19.212 0.881 7.399 1.00 0.00 C ATOM 1516 NZ LYS A 97 -19.450 1.714 8.598 1.00 0.00 N ATOM 0 H LYS A 97 -16.251 2.761 3.014 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.759 1.887 5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -17.921 3.660 4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -18.856 2.314 3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.672 3.209 6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -20.032 3.452 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -20.926 1.658 6.357 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -19.845 0.715 5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.595 -0.124 7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.139 0.788 7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -19.133 1.201 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.919 2.604 8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -20.466 1.923 8.679 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.967 -0.184 3.341 1.00 0.00 N ATOM 1531 CA LYS A 98 -18.367 -1.578 3.110 1.00 0.00 C ATOM 1532 C LYS A 98 -17.274 -2.536 3.562 1.00 0.00 C ATOM 1533 O LYS A 98 -17.448 -3.214 4.572 1.00 0.00 O ATOM 1534 CB LYS A 98 -18.756 -1.819 1.635 1.00 0.00 C ATOM 1535 CG LYS A 98 -20.215 -1.450 1.318 1.00 0.00 C ATOM 1536 CD LYS A 98 -21.250 -2.540 1.626 1.00 0.00 C ATOM 1537 CE LYS A 98 -21.167 -3.693 0.617 1.00 0.00 C ATOM 1538 NZ LYS A 98 -22.341 -4.596 0.672 1.00 0.00 N ATOM 0 H LYS A 98 -18.117 0.422 2.534 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.254 -1.775 3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -18.095 -1.237 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.594 -2.869 1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -20.476 -0.554 1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -20.286 -1.193 0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -21.088 -2.924 2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -22.251 -2.109 1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -21.078 -3.283 -0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -20.262 -4.270 0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -22.229 -5.354 -0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -22.414 -5.013 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -23.205 -4.056 0.463 1.00 0.00 H new ATOM 1552 N SER A 99 -16.149 -2.539 2.849 1.00 0.00 N ATOM 1553 CA SER A 99 -15.010 -3.402 3.115 1.00 0.00 C ATOM 1554 C SER A 99 -14.595 -3.399 4.602 1.00 0.00 C ATOM 1555 O SER A 99 -14.424 -4.481 5.162 1.00 0.00 O ATOM 1556 CB SER A 99 -13.906 -3.056 2.098 1.00 0.00 C ATOM 1557 OG SER A 99 -13.291 -4.205 1.539 1.00 0.00 O ATOM 0 H SER A 99 -16.005 -1.922 2.049 1.00 0.00 H new ATOM 0 HA SER A 99 -15.268 -4.450 2.962 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.333 -2.453 1.297 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.147 -2.445 2.587 1.00 0.00 H new ATOM 0 HG SER A 99 -12.601 -3.929 0.900 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.465 -2.233 5.261 1.00 0.00 N ATOM 1564 CA GLY A 100 -14.090 -2.142 6.682 1.00 0.00 C ATOM 1565 C GLY A 100 -12.633 -2.524 6.981 1.00 0.00 C ATOM 1566 O GLY A 100 -12.268 -2.760 8.135 1.00 0.00 O ATOM 0 H GLY A 100 -14.618 -1.326 4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.263 -1.122 7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.748 -2.790 7.261 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.814 -2.587 5.932 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.403 -2.936 5.936 1.00 0.00 C ATOM 1572 C VAL A 101 -9.542 -1.826 6.530 1.00 0.00 C ATOM 1573 O VAL A 101 -9.793 -0.653 6.259 1.00 0.00 O ATOM 1574 CB VAL A 101 -9.993 -3.180 4.474 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.549 -3.644 4.317 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -10.918 -4.197 3.796 1.00 0.00 C ATOM 0 H VAL A 101 -12.148 -2.379 4.991 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.250 -3.821 6.553 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.085 -2.209 3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.329 -3.797 3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.877 -2.887 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.407 -4.581 4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.600 -4.346 2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.870 -5.145 4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.942 -3.823 3.810 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.488 -2.195 7.259 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.524 -1.304 7.902 1.00 0.00 C ATOM 1588 C VAL A 102 -6.123 -1.837 7.558 1.00 0.00 C ATOM 1589 O VAL A 102 -5.975 -3.032 7.304 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.776 -1.301 9.433 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.882 -0.282 10.150 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.245 -0.982 9.780 1.00 0.00 C ATOM 0 H VAL A 102 -8.273 -3.178 7.425 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.620 -0.276 7.554 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.536 -2.308 9.774 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.086 -0.308 11.220 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.835 -0.529 9.974 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.088 0.717 9.766 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.373 -0.991 10.862 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.505 0.003 9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.896 -1.732 9.331 1.00 0.00 H new ATOM 1602 N LEU A 103 -5.096 -0.986 7.493 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.727 -1.410 7.195 1.00 0.00 C ATOM 1604 C LEU A 103 -3.070 -1.668 8.539 1.00 0.00 C ATOM 1605 O LEU A 103 -2.778 -0.721 9.274 1.00 0.00 O ATOM 1606 CB LEU A 103 -2.920 -0.339 6.444 1.00 0.00 C ATOM 1607 CG LEU A 103 -3.161 -0.286 4.924 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.606 0.086 4.582 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -2.231 0.739 4.262 1.00 0.00 C ATOM 0 H LEU A 103 -5.191 0.018 7.646 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.751 -2.288 6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.158 0.637 6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.859 -0.514 6.622 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.954 -1.287 4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.729 0.111 3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.283 -0.655 5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.837 1.067 4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.418 0.760 3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.420 1.727 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.193 0.460 4.444 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.903 -2.937 8.898 1.00 0.00 N ATOM 1622 CA HIS A 104 -2.263 -3.292 10.152 1.00 0.00 C ATOM 1623 C HIS A 104 -0.744 -3.224 9.967 1.00 0.00 C ATOM 1624 O HIS A 104 -0.071 -2.633 10.815 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.760 -4.648 10.678 1.00 0.00 C ATOM 1626 CG HIS A 104 -4.141 -4.574 11.295 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -4.491 -3.720 12.316 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -5.252 -5.324 10.997 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.783 -3.922 12.606 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -6.281 -4.912 11.851 1.00 0.00 N ATOM 0 H HIS A 104 -3.203 -3.734 8.336 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.538 -2.576 10.927 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.772 -5.367 9.859 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -2.056 -5.023 11.421 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -5.319 -6.092 10.241 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.344 -3.367 13.343 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -7.227 -5.291 11.891 1.00 0.00 H new ATOM 1638 N ARG A 105 -0.177 -3.785 8.888 1.00 0.00 N ATOM 1639 CA ARG A 105 1.275 -3.746 8.663 1.00 0.00 C ATOM 1640 C ARG A 105 1.638 -4.124 7.230 1.00 0.00 C ATOM 1641 O ARG A 105 0.941 -4.893 6.571 1.00 0.00 O ATOM 1642 CB ARG A 105 2.007 -4.722 9.617 1.00 0.00 C ATOM 1643 CG ARG A 105 3.507 -4.389 9.746 1.00 0.00 C ATOM 1644 CD ARG A 105 4.359 -5.576 10.186 1.00 0.00 C ATOM 1645 NE ARG A 105 4.073 -6.006 11.557 1.00 0.00 N ATOM 1646 CZ ARG A 105 4.700 -7.009 12.173 1.00 0.00 C ATOM 1647 NH1 ARG A 105 5.690 -7.667 11.572 1.00 0.00 N ATOM 1648 NH2 ARG A 105 4.331 -7.360 13.398 1.00 0.00 N ATOM 0 H ARG A 105 -0.701 -4.270 8.159 1.00 0.00 H new ATOM 0 HA ARG A 105 1.589 -2.720 8.856 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.541 -4.684 10.602 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.892 -5.742 9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.874 -4.025 8.786 1.00 0.00 H new ATOM 0 HG3 ARG A 105 3.630 -3.578 10.463 1.00 0.00 H new ATOM 0 HD2 ARG A 105 4.189 -6.411 9.506 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.413 -5.310 10.107 1.00 0.00 H new ATOM 0 HE ARG A 105 3.349 -5.507 12.073 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.977 -7.406 10.629 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.161 -8.432 12.055 1.00 0.00 H new ATOM 0 HH21 ARG A 105 3.571 -6.864 13.864 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.807 -8.126 13.874 1.00 0.00 H new ATOM 1662 N ALA A 106 2.748 -3.568 6.766 1.00 0.00 N ATOM 1663 CA ALA A 106 3.335 -3.774 5.464 1.00 0.00 C ATOM 1664 C ALA A 106 4.081 -5.124 5.450 1.00 0.00 C ATOM 1665 O ALA A 106 4.678 -5.499 6.465 1.00 0.00 O ATOM 1666 CB ALA A 106 4.321 -2.618 5.285 1.00 0.00 C ATOM 0 H ALA A 106 3.293 -2.919 7.333 1.00 0.00 H new ATOM 0 HA ALA A 106 2.593 -3.798 4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.810 -2.704 4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.785 -1.671 5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.072 -2.655 6.074 1.00 0.00 H new ATOM 1672 N VAL A 107 4.069 -5.867 4.339 1.00 0.00 N ATOM 1673 CA VAL A 107 4.764 -7.150 4.200 1.00 0.00 C ATOM 1674 C VAL A 107 6.108 -6.819 3.536 1.00 0.00 C ATOM 1675 O VAL A 107 6.094 -6.276 2.428 1.00 0.00 O ATOM 1676 CB VAL A 107 3.899 -8.124 3.383 1.00 0.00 C ATOM 1677 CG1 VAL A 107 4.691 -9.270 2.762 1.00 0.00 C ATOM 1678 CG2 VAL A 107 2.805 -8.738 4.269 1.00 0.00 C ATOM 0 H VAL A 107 3.567 -5.588 3.496 1.00 0.00 H new ATOM 0 HA VAL A 107 4.941 -7.651 5.152 1.00 0.00 H new ATOM 0 HB VAL A 107 3.474 -7.528 2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.016 -9.916 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.449 -8.867 2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.175 -9.847 3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.201 -9.425 3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.267 -9.280 5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.170 -7.945 4.665 1.00 0.00 H new ATOM 1688 N PRO A 108 7.267 -7.021 4.187 1.00 0.00 N ATOM 1689 CA PRO A 108 8.560 -6.703 3.599 1.00 0.00 C ATOM 1690 C PRO A 108 9.045 -7.756 2.600 1.00 0.00 C ATOM 1691 O PRO A 108 8.936 -8.958 2.857 1.00 0.00 O ATOM 1692 CB PRO A 108 9.508 -6.583 4.789 1.00 0.00 C ATOM 1693 CG PRO A 108 8.931 -7.556 5.817 1.00 0.00 C ATOM 1694 CD PRO A 108 7.435 -7.626 5.496 1.00 0.00 C ATOM 0 HA PRO A 108 8.505 -5.787 3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.529 -6.850 4.515 1.00 0.00 H new ATOM 0 HB3 PRO A 108 9.537 -5.564 5.175 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.398 -8.537 5.738 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.101 -7.203 6.834 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.086 -8.659 5.494 1.00 0.00 H new ATOM 0 HD3 PRO A 108 6.851 -7.094 6.247 1.00 0.00 H new ATOM 1702 N SER A 109 9.639 -7.293 1.494 1.00 0.00 N ATOM 1703 CA SER A 109 10.183 -8.145 0.437 1.00 0.00 C ATOM 1704 C SER A 109 11.343 -8.974 0.999 1.00 0.00 C ATOM 1705 O SER A 109 11.265 -10.200 1.046 1.00 0.00 O ATOM 1706 CB SER A 109 10.630 -7.285 -0.758 1.00 0.00 C ATOM 1707 OG SER A 109 10.008 -7.695 -1.955 1.00 0.00 O ATOM 0 H SER A 109 9.756 -6.297 1.308 1.00 0.00 H new ATOM 0 HA SER A 109 9.413 -8.829 0.081 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.392 -6.239 -0.563 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.712 -7.350 -0.869 1.00 0.00 H new ATOM 0 HG SER A 109 10.313 -7.127 -2.693 1.00 0.00 H new ATOM 1713 N GLY A 110 12.397 -8.317 1.481 1.00 0.00 N ATOM 1714 CA GLY A 110 13.568 -8.964 2.048 1.00 0.00 C ATOM 1715 C GLY A 110 14.459 -7.923 2.726 1.00 0.00 C ATOM 1716 O GLY A 110 14.279 -6.721 2.485 1.00 0.00 O ATOM 0 H GLY A 110 12.457 -7.299 1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.262 -9.720 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 110 14.125 -9.478 1.265 1.00 0.00 H new ATOM 1720 N PRO A 111 15.414 -8.363 3.564 1.00 0.00 N ATOM 1721 CA PRO A 111 16.322 -7.486 4.285 1.00 0.00 C ATOM 1722 C PRO A 111 17.402 -6.924 3.360 1.00 0.00 C ATOM 1723 O PRO A 111 18.169 -7.688 2.766 1.00 0.00 O ATOM 1724 CB PRO A 111 16.932 -8.362 5.385 1.00 0.00 C ATOM 1725 CG PRO A 111 16.948 -9.754 4.753 1.00 0.00 C ATOM 1726 CD PRO A 111 15.681 -9.756 3.898 1.00 0.00 C ATOM 0 HA PRO A 111 15.806 -6.618 4.697 1.00 0.00 H new ATOM 0 HB2 PRO A 111 17.935 -8.030 5.654 1.00 0.00 H new ATOM 0 HB3 PRO A 111 16.334 -8.340 6.296 1.00 0.00 H new ATOM 0 HG2 PRO A 111 17.842 -9.914 4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 111 16.927 -10.540 5.507 1.00 0.00 H new ATOM 0 HD2 PRO A 111 15.821 -10.353 2.997 1.00 0.00 H new ATOM 0 HD3 PRO A 111 14.844 -10.193 4.443 1.00 0.00 H new ATOM 1734 N SER A 112 17.479 -5.602 3.226 1.00 0.00 N ATOM 1735 CA SER A 112 18.486 -4.951 2.400 1.00 0.00 C ATOM 1736 C SER A 112 19.875 -5.185 3.023 1.00 0.00 C ATOM 1737 O SER A 112 19.998 -5.731 4.127 1.00 0.00 O ATOM 1738 CB SER A 112 18.151 -3.461 2.261 1.00 0.00 C ATOM 1739 OG SER A 112 18.505 -3.000 0.972 1.00 0.00 O ATOM 0 H SER A 112 16.843 -4.953 3.689 1.00 0.00 H new ATOM 0 HA SER A 112 18.495 -5.376 1.396 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.086 -3.302 2.432 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.685 -2.888 3.019 1.00 0.00 H new ATOM 0 HG SER A 112 18.285 -2.048 0.893 1.00 0.00 H new ATOM 1745 N SER A 113 20.937 -4.795 2.324 1.00 0.00 N ATOM 1746 CA SER A 113 22.316 -4.966 2.776 1.00 0.00 C ATOM 1747 C SER A 113 23.157 -3.758 2.377 1.00 0.00 C ATOM 1748 O SER A 113 22.697 -2.907 1.610 1.00 0.00 O ATOM 1749 CB SER A 113 22.861 -6.271 2.181 1.00 0.00 C ATOM 1750 OG SER A 113 22.705 -6.304 0.769 1.00 0.00 O ATOM 0 H SER A 113 20.863 -4.344 1.412 1.00 0.00 H new ATOM 0 HA SER A 113 22.358 -5.032 3.863 1.00 0.00 H new ATOM 0 HB2 SER A 113 23.916 -6.375 2.434 1.00 0.00 H new ATOM 0 HB3 SER A 113 22.341 -7.120 2.626 1.00 0.00 H new ATOM 0 HG SER A 113 23.063 -7.147 0.420 1.00 0.00 H new ATOM 1756 N GLY A 114 24.379 -3.662 2.887 1.00 0.00 N ATOM 1757 CA GLY A 114 25.322 -2.590 2.621 1.00 0.00 C ATOM 1758 C GLY A 114 26.695 -3.031 3.074 1.00 0.00 C ATOM 1759 O GLY A 114 26.819 -4.170 3.579 1.00 0.00 O ATOM 0 H GLY A 114 24.754 -4.363 3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 114 25.333 -2.351 1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 114 25.023 -1.684 3.148 1.00 0.00 H new TER 1763 GLY A 114