USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 881 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 47 TYR OH : rot 60:sc= 1.33 USER MOD Set 1.2: A 92 SER OG : rot 46:sc= 0.0513 USER MOD Set 2.1: A 48 TYR OH : rot -99:sc= -0.0725 USER MOD Set 2.2: A 91 HIS : no HD1:sc= -8.69! C(o=-8.8!,f=-14!) USER MOD Set 3.1: A 40 THR OG1 : rot 180:sc= 0.448 USER MOD Set 3.2: A 43 SER OG : rot 112:sc= 0.308 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.144 (180deg=0) USER MOD Single : A 2 SER OG : rot 50:sc= 1.03 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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 138:sc= 1.02 (180deg=-0.364) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -2.46 K(o=-2.5,f=-6.6!) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= -0.0238 (180deg=-0.533) USER MOD Single : A 36 SER OG : rot -169:sc= 0.307! USER MOD Single : A 39 THR OG1 : rot 40:sc= -0.61 USER MOD Single : A 46 ASN : amide:sc= -0.0252 X(o=-0.025,f=-0.025) USER MOD Single : A 50 GLN : amide:sc= -3.39! C(o=-3.4!,f=-5.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0073 USER MOD Single : A 57 CYS SG : rot 36:sc= -1.58 USER MOD Single : A 60 MET CE :methyl -137:sc= -2.62 (180deg=-4.84!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 165:sc=-0.00936 (180deg=-0.188) USER MOD Single : A 68 SER OG : rot 33:sc= 1.1 USER MOD Single : A 75 THR OG1 : rot 90:sc= 0.407 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= -2.17 (180deg=-2.17) USER MOD Single : A 86 MET CE :methyl -122:sc= -0.888 (180deg=-3.17!) USER MOD Single : A 101 LYS NZ :NH3+ -172:sc= 1.14 (180deg=1.02) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 135:sc= 0.119 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.943 -30.451 5.235 1.00 0.00 N ATOM 2 CA GLY A 1 -6.877 -30.231 6.669 1.00 0.00 C ATOM 3 C GLY A 1 -6.977 -28.740 7.000 1.00 0.00 C ATOM 4 O GLY A 1 -7.074 -27.906 6.100 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.741 -31.082 5.017 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.078 -29.541 4.750 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.057 -30.888 4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.686 -30.771 7.161 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.942 -30.632 7.059 1.00 0.00 H new ATOM 8 N SER A 2 -6.950 -28.450 8.292 1.00 0.00 N ATOM 9 CA SER A 2 -7.037 -27.075 8.753 1.00 0.00 C ATOM 10 C SER A 2 -6.858 -27.019 10.271 1.00 0.00 C ATOM 11 O SER A 2 -7.162 -27.983 10.971 1.00 0.00 O ATOM 12 CB SER A 2 -8.371 -26.442 8.352 1.00 0.00 C ATOM 13 OG SER A 2 -8.271 -25.712 7.132 1.00 0.00 O ATOM 0 H SER A 2 -6.869 -29.144 9.035 1.00 0.00 H new ATOM 0 HA SER A 2 -6.238 -26.505 8.278 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.125 -27.222 8.247 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.709 -25.776 9.146 1.00 0.00 H new ATOM 0 HG SER A 2 -7.833 -26.267 6.453 1.00 0.00 H new ATOM 19 N SER A 3 -6.365 -25.880 10.735 1.00 0.00 N ATOM 20 CA SER A 3 -6.142 -25.686 12.158 1.00 0.00 C ATOM 21 C SER A 3 -5.870 -24.209 12.448 1.00 0.00 C ATOM 22 O SER A 3 -5.383 -23.482 11.583 1.00 0.00 O ATOM 23 CB SER A 3 -4.980 -26.547 12.656 1.00 0.00 C ATOM 24 OG SER A 3 -3.730 -26.117 12.124 1.00 0.00 O ATOM 0 H SER A 3 -6.114 -25.082 10.151 1.00 0.00 H new ATOM 0 HA SER A 3 -7.042 -25.995 12.690 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.942 -26.510 13.745 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.154 -27.586 12.378 1.00 0.00 H new ATOM 0 HG SER A 3 -3.014 -26.691 12.467 1.00 0.00 H new ATOM 30 N GLY A 4 -6.196 -23.808 13.668 1.00 0.00 N ATOM 31 CA GLY A 4 -5.993 -22.431 14.084 1.00 0.00 C ATOM 32 C GLY A 4 -6.169 -22.282 15.596 1.00 0.00 C ATOM 33 O GLY A 4 -5.187 -22.217 16.335 1.00 0.00 O ATOM 0 H GLY A 4 -6.600 -24.414 14.382 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.993 -22.105 13.797 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.701 -21.783 13.567 1.00 0.00 H new ATOM 37 N SER A 5 -7.425 -22.234 16.012 1.00 0.00 N ATOM 38 CA SER A 5 -7.742 -22.094 17.423 1.00 0.00 C ATOM 39 C SER A 5 -7.285 -20.725 17.929 1.00 0.00 C ATOM 40 O SER A 5 -6.112 -20.373 17.807 1.00 0.00 O ATOM 41 CB SER A 5 -7.092 -23.208 18.246 1.00 0.00 C ATOM 42 OG SER A 5 -8.026 -24.223 18.603 1.00 0.00 O ATOM 0 H SER A 5 -8.236 -22.290 15.396 1.00 0.00 H new ATOM 0 HA SER A 5 -8.823 -22.175 17.540 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.276 -23.651 17.675 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.655 -22.783 19.150 1.00 0.00 H new ATOM 0 HG SER A 5 -7.572 -24.916 19.126 1.00 0.00 H new ATOM 48 N SER A 6 -8.234 -19.988 18.487 1.00 0.00 N ATOM 49 CA SER A 6 -7.943 -18.665 19.012 1.00 0.00 C ATOM 50 C SER A 6 -9.180 -18.095 19.710 1.00 0.00 C ATOM 51 O SER A 6 -10.301 -18.529 19.447 1.00 0.00 O ATOM 52 CB SER A 6 -7.479 -17.721 17.901 1.00 0.00 C ATOM 53 OG SER A 6 -6.183 -17.188 18.160 1.00 0.00 O ATOM 0 H SER A 6 -9.206 -20.282 18.587 1.00 0.00 H new ATOM 0 HA SER A 6 -7.134 -18.755 19.737 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.468 -18.256 16.952 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.193 -16.904 17.798 1.00 0.00 H new ATOM 0 HG SER A 6 -5.922 -16.592 17.427 1.00 0.00 H new ATOM 59 N GLY A 7 -8.935 -17.131 20.585 1.00 0.00 N ATOM 60 CA GLY A 7 -10.015 -16.497 21.322 1.00 0.00 C ATOM 61 C GLY A 7 -9.475 -15.436 22.283 1.00 0.00 C ATOM 62 O GLY A 7 -8.638 -15.733 23.134 1.00 0.00 O ATOM 0 H GLY A 7 -8.004 -16.773 20.800 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.715 -16.038 20.624 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.570 -17.251 21.881 1.00 0.00 H new ATOM 66 N MET A 8 -9.974 -14.221 22.113 1.00 0.00 N ATOM 67 CA MET A 8 -9.552 -13.114 22.955 1.00 0.00 C ATOM 68 C MET A 8 -10.488 -11.915 22.794 1.00 0.00 C ATOM 69 O MET A 8 -10.898 -11.588 21.681 1.00 0.00 O ATOM 70 CB MET A 8 -8.127 -12.703 22.581 1.00 0.00 C ATOM 71 CG MET A 8 -8.078 -12.114 21.170 1.00 0.00 C ATOM 72 SD MET A 8 -8.354 -10.352 21.234 1.00 0.00 S ATOM 73 CE MET A 8 -8.166 -9.945 19.506 1.00 0.00 C ATOM 0 H MET A 8 -10.667 -13.978 21.405 1.00 0.00 H new ATOM 0 HA MET A 8 -9.585 -13.440 23.995 1.00 0.00 H new ATOM 0 HB2 MET A 8 -7.756 -11.970 23.298 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.468 -13.569 22.640 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.110 -12.322 20.713 1.00 0.00 H new ATOM 0 HG3 MET A 8 -8.835 -12.586 20.543 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.308 -8.873 19.367 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.166 -10.225 19.173 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.908 -10.488 18.921 1.00 0.00 H new ATOM 83 N GLU A 9 -10.799 -11.292 23.921 1.00 0.00 N ATOM 84 CA GLU A 9 -11.679 -10.135 23.919 1.00 0.00 C ATOM 85 C GLU A 9 -11.199 -9.101 24.938 1.00 0.00 C ATOM 86 O GLU A 9 -10.406 -9.418 25.824 1.00 0.00 O ATOM 87 CB GLU A 9 -13.126 -10.547 24.196 1.00 0.00 C ATOM 88 CG GLU A 9 -13.964 -10.503 22.916 1.00 0.00 C ATOM 89 CD GLU A 9 -15.459 -10.495 23.239 1.00 0.00 C ATOM 90 OE1 GLU A 9 -15.862 -11.326 24.081 1.00 0.00 O ATOM 91 OE2 GLU A 9 -16.166 -9.658 22.637 1.00 0.00 O ATOM 0 H GLU A 9 -10.457 -11.566 24.842 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.648 -9.681 22.928 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.147 -11.553 24.614 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.561 -9.882 24.942 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.708 -9.614 22.340 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.728 -11.365 22.293 1.00 0.00 H new ATOM 98 N LYS A 10 -11.699 -7.884 24.780 1.00 0.00 N ATOM 99 CA LYS A 10 -11.331 -6.801 25.676 1.00 0.00 C ATOM 100 C LYS A 10 -12.372 -5.684 25.574 1.00 0.00 C ATOM 101 O LYS A 10 -13.228 -5.708 24.691 1.00 0.00 O ATOM 102 CB LYS A 10 -9.901 -6.336 25.395 1.00 0.00 C ATOM 103 CG LYS A 10 -9.804 -5.654 24.029 1.00 0.00 C ATOM 104 CD LYS A 10 -8.577 -4.743 23.957 1.00 0.00 C ATOM 105 CE LYS A 10 -7.293 -5.562 23.820 1.00 0.00 C ATOM 106 NZ LYS A 10 -6.149 -4.835 24.414 1.00 0.00 N ATOM 0 H LYS A 10 -12.356 -7.624 24.044 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.333 -7.145 26.710 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.580 -5.645 26.174 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.224 -7.190 25.428 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.747 -6.409 23.245 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.706 -5.070 23.845 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.672 -4.065 23.109 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.525 -4.126 24.854 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.415 -6.526 24.314 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.095 -5.766 22.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.285 -5.405 24.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.024 -3.926 23.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.333 -4.662 25.423 1.00 0.00 H new ATOM 120 N THR A 11 -12.264 -4.733 26.489 1.00 0.00 N ATOM 121 CA THR A 11 -13.185 -3.609 26.513 1.00 0.00 C ATOM 122 C THR A 11 -12.426 -2.302 26.744 1.00 0.00 C ATOM 123 O THR A 11 -11.688 -2.172 27.721 1.00 0.00 O ATOM 124 CB THR A 11 -14.248 -3.891 27.577 1.00 0.00 C ATOM 125 OG1 THR A 11 -15.112 -2.760 27.513 1.00 0.00 O ATOM 126 CG2 THR A 11 -13.680 -3.847 28.997 1.00 0.00 C ATOM 0 H THR A 11 -11.553 -4.717 27.220 1.00 0.00 H new ATOM 0 HA THR A 11 -13.688 -3.490 25.554 1.00 0.00 H new ATOM 0 HB THR A 11 -14.694 -4.869 27.395 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.832 -2.861 28.170 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.475 -4.054 29.713 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.896 -4.597 29.099 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.264 -2.859 29.192 1.00 0.00 H new ATOM 134 N LEU A 12 -12.632 -1.365 25.830 1.00 0.00 N ATOM 135 CA LEU A 12 -11.975 -0.072 25.923 1.00 0.00 C ATOM 136 C LEU A 12 -13.018 1.037 25.763 1.00 0.00 C ATOM 137 O LEU A 12 -14.098 0.805 25.222 1.00 0.00 O ATOM 138 CB LEU A 12 -10.824 0.017 24.919 1.00 0.00 C ATOM 139 CG LEU A 12 -9.662 -0.953 25.144 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.796 -1.071 23.888 1.00 0.00 C ATOM 141 CD2 LEU A 12 -8.841 -0.550 26.371 1.00 0.00 C ATOM 0 H LEU A 12 -13.244 -1.475 25.022 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.521 0.056 26.906 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.225 -0.153 23.920 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.431 1.034 24.936 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.076 -1.941 25.344 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.977 -1.766 24.074 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.403 -1.439 23.061 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.390 -0.092 23.633 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.022 -1.256 26.508 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.437 0.452 26.225 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.479 -0.559 27.255 1.00 0.00 H new ATOM 153 N GLU A 13 -12.657 2.218 26.242 1.00 0.00 N ATOM 154 CA GLU A 13 -13.547 3.363 26.159 1.00 0.00 C ATOM 155 C GLU A 13 -12.799 4.578 25.607 1.00 0.00 C ATOM 156 O GLU A 13 -11.623 4.778 25.909 1.00 0.00 O ATOM 157 CB GLU A 13 -14.169 3.675 27.522 1.00 0.00 C ATOM 158 CG GLU A 13 -15.586 3.106 27.621 1.00 0.00 C ATOM 159 CD GLU A 13 -15.569 1.688 28.196 1.00 0.00 C ATOM 160 OE1 GLU A 13 -14.770 1.464 29.130 1.00 0.00 O ATOM 161 OE2 GLU A 13 -16.355 0.861 27.687 1.00 0.00 O ATOM 0 H GLU A 13 -11.760 2.407 26.689 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.359 3.118 25.474 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.548 3.255 28.314 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.195 4.754 27.676 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.197 3.751 28.252 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.048 3.096 26.634 1.00 0.00 H new ATOM 168 N THR A 14 -13.511 5.359 24.807 1.00 0.00 N ATOM 169 CA THR A 14 -12.929 6.549 24.211 1.00 0.00 C ATOM 170 C THR A 14 -12.404 7.488 25.298 1.00 0.00 C ATOM 171 O THR A 14 -13.104 7.775 26.268 1.00 0.00 O ATOM 172 CB THR A 14 -13.987 7.192 23.311 1.00 0.00 C ATOM 173 OG1 THR A 14 -13.495 8.511 23.085 1.00 0.00 O ATOM 174 CG2 THR A 14 -15.317 7.409 24.034 1.00 0.00 C ATOM 0 H THR A 14 -14.486 5.190 24.558 1.00 0.00 H new ATOM 0 HA THR A 14 -12.064 6.301 23.595 1.00 0.00 H new ATOM 0 HB THR A 14 -14.149 6.564 22.435 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.120 8.999 22.509 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.032 7.867 23.351 1.00 0.00 H new ATOM 0 HG22 THR A 14 -15.706 6.450 24.376 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.163 8.065 24.891 1.00 0.00 H new ATOM 182 N VAL A 15 -11.175 7.942 25.100 1.00 0.00 N ATOM 183 CA VAL A 15 -10.547 8.843 26.051 1.00 0.00 C ATOM 184 C VAL A 15 -10.119 10.123 25.329 1.00 0.00 C ATOM 185 O VAL A 15 -9.249 10.088 24.461 1.00 0.00 O ATOM 186 CB VAL A 15 -9.386 8.136 26.754 1.00 0.00 C ATOM 187 CG1 VAL A 15 -9.861 6.856 27.444 1.00 0.00 C ATOM 188 CG2 VAL A 15 -8.249 7.842 25.773 1.00 0.00 C ATOM 0 H VAL A 15 -10.597 7.702 24.294 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.254 9.130 26.829 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.000 8.806 27.522 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.017 6.373 27.936 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.620 7.103 28.186 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.285 6.179 26.703 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.437 7.339 26.298 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.616 7.200 24.972 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.883 8.777 25.349 1.00 0.00 H new ATOM 198 N PRO A 16 -10.768 11.251 25.726 1.00 0.00 N ATOM 199 CA PRO A 16 -10.463 12.539 25.127 1.00 0.00 C ATOM 200 C PRO A 16 -9.129 13.082 25.643 1.00 0.00 C ATOM 201 O PRO A 16 -8.716 12.766 26.758 1.00 0.00 O ATOM 202 CB PRO A 16 -11.644 13.427 25.482 1.00 0.00 C ATOM 203 CG PRO A 16 -12.339 12.748 26.651 1.00 0.00 C ATOM 204 CD PRO A 16 -11.804 11.329 26.752 1.00 0.00 C ATOM 0 HA PRO A 16 -10.336 12.481 24.046 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.312 14.429 25.754 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.321 13.535 24.634 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.151 13.293 27.576 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.418 12.739 26.500 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.396 11.129 27.743 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.591 10.595 26.577 1.00 0.00 H new ATOM 212 N LEU A 17 -8.493 13.890 24.808 1.00 0.00 N ATOM 213 CA LEU A 17 -7.215 14.480 25.166 1.00 0.00 C ATOM 214 C LEU A 17 -6.772 15.438 24.058 1.00 0.00 C ATOM 215 O LEU A 17 -6.786 15.081 22.881 1.00 0.00 O ATOM 216 CB LEU A 17 -6.190 13.389 25.481 1.00 0.00 C ATOM 217 CG LEU A 17 -5.686 13.338 26.925 1.00 0.00 C ATOM 218 CD1 LEU A 17 -5.085 11.969 27.248 1.00 0.00 C ATOM 219 CD2 LEU A 17 -4.702 14.476 27.202 1.00 0.00 C ATOM 0 H LEU A 17 -8.839 14.150 23.884 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.310 15.069 26.078 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.631 12.423 25.237 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.332 13.523 24.822 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.538 13.480 27.590 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.735 11.960 28.280 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.844 11.198 27.116 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.247 11.772 26.579 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.359 14.417 28.235 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.848 14.390 26.530 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.197 15.433 27.038 1.00 0.00 H new ATOM 231 N GLU A 18 -6.389 16.637 24.474 1.00 0.00 N ATOM 232 CA GLU A 18 -5.943 17.649 23.531 1.00 0.00 C ATOM 233 C GLU A 18 -4.503 17.370 23.095 1.00 0.00 C ATOM 234 O GLU A 18 -3.565 17.967 23.621 1.00 0.00 O ATOM 235 CB GLU A 18 -6.073 19.051 24.130 1.00 0.00 C ATOM 236 CG GLU A 18 -7.518 19.547 24.055 1.00 0.00 C ATOM 237 CD GLU A 18 -7.569 21.067 23.890 1.00 0.00 C ATOM 238 OE1 GLU A 18 -7.214 21.529 22.784 1.00 0.00 O ATOM 239 OE2 GLU A 18 -7.960 21.733 24.872 1.00 0.00 O ATOM 0 H GLU A 18 -6.378 16.930 25.451 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.583 17.605 22.650 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.742 19.039 25.169 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.420 19.741 23.596 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.027 19.070 23.218 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.053 19.258 24.960 1.00 0.00 H new ATOM 246 N ARG A 19 -4.374 16.463 22.138 1.00 0.00 N ATOM 247 CA ARG A 19 -3.064 16.098 21.625 1.00 0.00 C ATOM 248 C ARG A 19 -3.172 14.868 20.722 1.00 0.00 C ATOM 249 O ARG A 19 -4.158 14.136 20.779 1.00 0.00 O ATOM 250 CB ARG A 19 -2.089 15.801 22.766 1.00 0.00 C ATOM 251 CG ARG A 19 -0.952 16.825 22.796 1.00 0.00 C ATOM 252 CD ARG A 19 -0.010 16.633 21.606 1.00 0.00 C ATOM 253 NE ARG A 19 1.340 17.139 21.943 1.00 0.00 N ATOM 254 CZ ARG A 19 2.387 17.098 21.108 1.00 0.00 C ATOM 255 NH1 ARG A 19 2.248 16.574 19.883 1.00 0.00 N ATOM 256 NH2 ARG A 19 3.575 17.581 21.499 1.00 0.00 N ATOM 0 H ARG A 19 -5.155 15.970 21.704 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.685 16.943 21.050 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.621 15.815 23.717 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.678 14.799 22.646 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.365 17.833 22.778 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.393 16.726 23.727 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.044 15.577 21.341 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.398 17.161 20.735 1.00 0.00 H new ATOM 0 HE ARG A 19 1.482 17.544 22.868 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.345 16.206 19.585 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.046 16.543 19.248 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.682 17.979 22.432 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.372 17.550 20.864 1.00 0.00 H new ATOM 270 N LYS A 20 -2.142 14.678 19.910 1.00 0.00 N ATOM 271 CA LYS A 20 -2.109 13.548 18.996 1.00 0.00 C ATOM 272 C LYS A 20 -3.183 13.735 17.922 1.00 0.00 C ATOM 273 O LYS A 20 -4.059 14.587 18.057 1.00 0.00 O ATOM 274 CB LYS A 20 -2.231 12.232 19.766 1.00 0.00 C ATOM 275 CG LYS A 20 -0.852 11.641 20.065 1.00 0.00 C ATOM 276 CD LYS A 20 -0.772 10.181 19.617 1.00 0.00 C ATOM 277 CE LYS A 20 -0.523 10.082 18.111 1.00 0.00 C ATOM 278 NZ LYS A 20 0.895 9.752 17.841 1.00 0.00 N ATOM 0 H LYS A 20 -1.325 15.287 19.866 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.149 13.501 18.482 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.768 12.401 20.699 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.817 11.520 19.185 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.085 12.224 19.556 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.647 11.709 21.133 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.029 9.675 20.156 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.700 9.668 19.870 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.169 9.318 17.679 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.781 11.026 17.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.047 9.688 16.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.506 10.495 18.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.129 8.840 18.283 1.00 0.00 H new ATOM 292 N LYS A 21 -3.079 12.923 16.880 1.00 0.00 N ATOM 293 CA LYS A 21 -4.031 12.987 15.784 1.00 0.00 C ATOM 294 C LYS A 21 -3.834 14.299 15.020 1.00 0.00 C ATOM 295 O LYS A 21 -4.154 15.372 15.530 1.00 0.00 O ATOM 296 CB LYS A 21 -5.457 12.784 16.300 1.00 0.00 C ATOM 297 CG LYS A 21 -5.924 11.346 16.065 1.00 0.00 C ATOM 298 CD LYS A 21 -5.373 10.408 17.141 1.00 0.00 C ATOM 299 CE LYS A 21 -4.432 9.367 16.530 1.00 0.00 C ATOM 300 NZ LYS A 21 -5.019 8.013 16.633 1.00 0.00 N ATOM 0 H LYS A 21 -2.350 12.218 16.772 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.854 12.176 15.078 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.499 13.015 17.364 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.132 13.476 15.797 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.013 11.309 16.068 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.596 11.009 15.081 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.840 10.987 17.895 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.197 9.906 17.648 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.243 9.609 15.484 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.470 9.393 17.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.859 7.497 15.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.570 7.499 17.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.041 8.090 16.810 1.00 0.00 H new ATOM 314 N ARG A 22 -3.309 14.169 13.811 1.00 0.00 N ATOM 315 CA ARG A 22 -3.067 15.331 12.972 1.00 0.00 C ATOM 316 C ARG A 22 -4.393 15.946 12.520 1.00 0.00 C ATOM 317 O ARG A 22 -5.425 15.277 12.525 1.00 0.00 O ATOM 318 CB ARG A 22 -2.240 14.957 11.740 1.00 0.00 C ATOM 319 CG ARG A 22 -0.742 15.061 12.034 1.00 0.00 C ATOM 320 CD ARG A 22 -0.196 16.430 11.622 1.00 0.00 C ATOM 321 NE ARG A 22 0.536 17.043 12.753 1.00 0.00 N ATOM 322 CZ ARG A 22 1.048 18.281 12.732 1.00 0.00 C ATOM 323 NH1 ARG A 22 0.911 19.045 11.640 1.00 0.00 N ATOM 324 NH2 ARG A 22 1.697 18.755 13.805 1.00 0.00 N ATOM 0 H ARG A 22 -3.044 13.277 13.392 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.510 16.057 13.564 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.484 13.941 11.429 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.498 15.615 10.911 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.564 14.900 13.097 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.207 14.276 11.499 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.467 16.323 10.764 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.015 17.080 11.313 1.00 0.00 H new ATOM 0 HE ARG A 22 0.658 16.489 13.601 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.417 18.684 10.824 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.301 19.987 11.625 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.801 18.173 14.636 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.087 19.697 13.790 1.00 0.00 H new ATOM 338 N GLU A 23 -4.322 17.213 12.141 1.00 0.00 N ATOM 339 CA GLU A 23 -5.504 17.926 11.687 1.00 0.00 C ATOM 340 C GLU A 23 -5.617 17.850 10.163 1.00 0.00 C ATOM 341 O GLU A 23 -6.698 17.604 9.629 1.00 0.00 O ATOM 342 CB GLU A 23 -5.484 19.379 12.164 1.00 0.00 C ATOM 343 CG GLU A 23 -5.838 19.474 13.649 1.00 0.00 C ATOM 344 CD GLU A 23 -6.527 20.804 13.965 1.00 0.00 C ATOM 345 OE1 GLU A 23 -5.931 21.847 13.620 1.00 0.00 O ATOM 346 OE2 GLU A 23 -7.633 20.746 14.544 1.00 0.00 O ATOM 0 H GLU A 23 -3.464 17.765 12.139 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.382 17.448 12.121 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.496 19.808 11.994 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.192 19.967 11.580 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.493 18.647 13.924 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.933 19.378 14.249 1.00 0.00 H new ATOM 353 N LYS A 24 -4.487 18.066 9.506 1.00 0.00 N ATOM 354 CA LYS A 24 -4.446 18.025 8.054 1.00 0.00 C ATOM 355 C LYS A 24 -3.951 16.650 7.601 1.00 0.00 C ATOM 356 O LYS A 24 -4.632 15.959 6.846 1.00 0.00 O ATOM 357 CB LYS A 24 -3.615 19.188 7.509 1.00 0.00 C ATOM 358 CG LYS A 24 -4.399 19.976 6.457 1.00 0.00 C ATOM 359 CD LYS A 24 -4.035 19.515 5.044 1.00 0.00 C ATOM 360 CE LYS A 24 -4.628 20.453 3.992 1.00 0.00 C ATOM 361 NZ LYS A 24 -3.733 20.546 2.816 1.00 0.00 N ATOM 0 H LYS A 24 -3.593 18.270 9.952 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.446 18.156 7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.329 19.850 8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.693 18.807 7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.469 19.846 6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.188 21.040 6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.951 19.481 4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.403 18.502 4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.608 20.089 3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.777 21.443 4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.151 21.187 2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.807 20.914 3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.612 19.602 2.396 1.00 0.00 H new ATOM 375 N GLU A 25 -2.768 16.294 8.081 1.00 0.00 N ATOM 376 CA GLU A 25 -2.174 15.015 7.735 1.00 0.00 C ATOM 377 C GLU A 25 -3.227 13.907 7.794 1.00 0.00 C ATOM 378 O GLU A 25 -3.266 13.035 6.927 1.00 0.00 O ATOM 379 CB GLU A 25 -0.990 14.694 8.649 1.00 0.00 C ATOM 380 CG GLU A 25 0.131 14.000 7.873 1.00 0.00 C ATOM 381 CD GLU A 25 1.037 15.023 7.185 1.00 0.00 C ATOM 382 OE1 GLU A 25 0.712 15.387 6.034 1.00 0.00 O ATOM 383 OE2 GLU A 25 2.035 15.418 7.826 1.00 0.00 O ATOM 0 H GLU A 25 -2.205 16.870 8.707 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.796 15.077 6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.612 15.613 9.096 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.321 14.054 9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.721 13.385 8.552 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.298 13.330 7.128 1.00 0.00 H new ATOM 390 N GLN A 26 -4.056 13.976 8.826 1.00 0.00 N ATOM 391 CA GLN A 26 -5.107 12.990 9.009 1.00 0.00 C ATOM 392 C GLN A 26 -5.826 12.728 7.684 1.00 0.00 C ATOM 393 O GLN A 26 -6.376 11.648 7.476 1.00 0.00 O ATOM 394 CB GLN A 26 -6.094 13.435 10.090 1.00 0.00 C ATOM 395 CG GLN A 26 -6.922 14.632 9.617 1.00 0.00 C ATOM 396 CD GLN A 26 -8.363 14.215 9.313 1.00 0.00 C ATOM 397 OE1 GLN A 26 -8.650 13.550 8.331 1.00 0.00 O ATOM 398 NE2 GLN A 26 -9.250 14.642 10.207 1.00 0.00 N ATOM 0 H GLN A 26 -4.021 14.700 9.544 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.650 12.058 9.342 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.757 12.608 10.345 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.551 13.700 10.997 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.918 15.407 10.383 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.468 15.063 8.725 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.942 15.195 11.007 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.238 14.416 10.093 1.00 0.00 H new ATOM 407 N PHE A 27 -5.799 13.735 6.824 1.00 0.00 N ATOM 408 CA PHE A 27 -6.442 13.627 5.525 1.00 0.00 C ATOM 409 C PHE A 27 -5.852 12.470 4.716 1.00 0.00 C ATOM 410 O PHE A 27 -6.589 11.638 4.188 1.00 0.00 O ATOM 411 CB PHE A 27 -6.176 14.939 4.784 1.00 0.00 C ATOM 412 CG PHE A 27 -6.975 16.129 5.320 1.00 0.00 C ATOM 413 CD1 PHE A 27 -7.752 15.984 6.427 1.00 0.00 C ATOM 414 CD2 PHE A 27 -6.907 17.333 4.690 1.00 0.00 C ATOM 415 CE1 PHE A 27 -8.493 17.088 6.924 1.00 0.00 C ATOM 416 CE2 PHE A 27 -7.648 18.437 5.188 1.00 0.00 C ATOM 417 CZ PHE A 27 -8.425 18.292 6.295 1.00 0.00 C ATOM 0 H PHE A 27 -5.342 14.630 7.001 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.508 13.440 5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.113 15.171 4.846 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.411 14.802 3.728 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.805 15.029 6.928 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.290 17.449 3.811 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.111 16.972 7.802 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.595 19.393 4.688 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.988 19.132 6.674 1.00 0.00 H new ATOM 427 N ARG A 28 -4.529 12.454 4.644 1.00 0.00 N ATOM 428 CA ARG A 28 -3.832 11.413 3.908 1.00 0.00 C ATOM 429 C ARG A 28 -2.994 10.560 4.862 1.00 0.00 C ATOM 430 O ARG A 28 -1.841 10.245 4.569 1.00 0.00 O ATOM 431 CB ARG A 28 -2.921 12.012 2.836 1.00 0.00 C ATOM 432 CG ARG A 28 -3.689 12.996 1.950 1.00 0.00 C ATOM 433 CD ARG A 28 -3.174 14.424 2.142 1.00 0.00 C ATOM 434 NE ARG A 28 -2.884 15.038 0.827 1.00 0.00 N ATOM 435 CZ ARG A 28 -2.626 16.341 0.647 1.00 0.00 C ATOM 436 NH1 ARG A 28 -2.621 17.174 1.697 1.00 0.00 N ATOM 437 NH2 ARG A 28 -2.374 16.810 -0.582 1.00 0.00 N ATOM 0 H ARG A 28 -3.921 13.145 5.083 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.583 10.790 3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.083 12.522 3.310 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.503 11.214 2.222 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.586 12.706 0.904 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.752 12.954 2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.916 15.019 2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.273 14.415 2.755 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.880 14.432 0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.813 16.816 2.633 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.425 18.166 1.560 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.378 16.176 -1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.178 17.801 -0.719 1.00 0.00 H new ATOM 451 N LYS A 29 -3.605 10.209 5.984 1.00 0.00 N ATOM 452 CA LYS A 29 -2.929 9.399 6.982 1.00 0.00 C ATOM 453 C LYS A 29 -3.780 8.166 7.293 1.00 0.00 C ATOM 454 O LYS A 29 -4.932 8.290 7.707 1.00 0.00 O ATOM 455 CB LYS A 29 -2.590 10.239 8.215 1.00 0.00 C ATOM 456 CG LYS A 29 -1.687 9.464 9.176 1.00 0.00 C ATOM 457 CD LYS A 29 -2.142 9.646 10.625 1.00 0.00 C ATOM 458 CE LYS A 29 -1.089 10.399 11.441 1.00 0.00 C ATOM 459 NZ LYS A 29 -1.734 11.390 12.330 1.00 0.00 N ATOM 0 H LYS A 29 -4.561 10.471 6.224 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.974 9.040 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.094 11.159 7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.508 10.528 8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.699 8.405 8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.658 9.806 9.069 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.084 10.193 10.648 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.328 8.671 11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.507 9.694 12.034 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.392 10.902 10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.055 12.144 12.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.559 11.802 11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.041 10.922 13.206 1.00 0.00 H new ATOM 473 N LEU A 30 -3.180 7.003 7.082 1.00 0.00 N ATOM 474 CA LEU A 30 -3.869 5.749 7.335 1.00 0.00 C ATOM 475 C LEU A 30 -3.110 4.962 8.405 1.00 0.00 C ATOM 476 O LEU A 30 -1.889 5.070 8.511 1.00 0.00 O ATOM 477 CB LEU A 30 -4.070 4.976 6.030 1.00 0.00 C ATOM 478 CG LEU A 30 -5.421 5.167 5.338 1.00 0.00 C ATOM 479 CD1 LEU A 30 -5.735 6.652 5.150 1.00 0.00 C ATOM 480 CD2 LEU A 30 -5.474 4.398 4.017 1.00 0.00 C ATOM 0 H LEU A 30 -2.225 6.903 6.739 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.869 5.936 7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.283 5.267 5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.937 3.914 6.236 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.197 4.753 5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.701 6.760 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.768 7.143 6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.960 7.113 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.445 4.551 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.688 4.759 3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.327 3.335 4.209 1.00 0.00 H new ATOM 492 N PHE A 31 -3.864 4.189 9.172 1.00 0.00 N ATOM 493 CA PHE A 31 -3.278 3.384 10.230 1.00 0.00 C ATOM 494 C PHE A 31 -3.332 1.895 9.881 1.00 0.00 C ATOM 495 O PHE A 31 -4.390 1.274 9.960 1.00 0.00 O ATOM 496 CB PHE A 31 -4.108 3.631 11.492 1.00 0.00 C ATOM 497 CG PHE A 31 -3.501 3.034 12.763 1.00 0.00 C ATOM 498 CD1 PHE A 31 -3.571 1.695 12.987 1.00 0.00 C ATOM 499 CD2 PHE A 31 -2.889 3.844 13.669 1.00 0.00 C ATOM 500 CE1 PHE A 31 -3.008 1.141 14.167 1.00 0.00 C ATOM 501 CE2 PHE A 31 -2.326 3.290 14.849 1.00 0.00 C ATOM 502 CZ PHE A 31 -2.396 1.950 15.073 1.00 0.00 C ATOM 0 H PHE A 31 -4.876 4.103 9.082 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.233 3.658 10.370 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.230 4.705 11.630 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.104 3.213 11.347 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.055 1.052 12.267 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.831 4.908 13.491 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.066 0.077 14.345 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.842 3.933 15.569 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.966 1.529 15.970 1.00 0.00 H new ATOM 512 N ILE A 32 -2.177 1.367 9.503 1.00 0.00 N ATOM 513 CA ILE A 32 -2.080 -0.037 9.142 1.00 0.00 C ATOM 514 C ILE A 32 -1.943 -0.878 10.413 1.00 0.00 C ATOM 515 O ILE A 32 -1.126 -0.571 11.280 1.00 0.00 O ATOM 516 CB ILE A 32 -0.948 -0.254 8.136 1.00 0.00 C ATOM 517 CG1 ILE A 32 -0.871 0.903 7.139 1.00 0.00 C ATOM 518 CG2 ILE A 32 -1.089 -1.607 7.435 1.00 0.00 C ATOM 519 CD1 ILE A 32 -2.221 1.126 6.453 1.00 0.00 C ATOM 0 H ILE A 32 -1.301 1.886 9.439 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.990 -0.365 8.639 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.005 -0.271 8.682 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.567 1.813 7.656 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.108 0.692 6.389 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.272 -1.736 6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.056 -2.406 8.176 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.040 -1.644 6.904 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.139 1.954 5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.511 0.222 5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.976 1.361 7.203 1.00 0.00 H new ATOM 531 N GLY A 33 -2.754 -1.923 10.483 1.00 0.00 N ATOM 532 CA GLY A 33 -2.734 -2.810 11.634 1.00 0.00 C ATOM 533 C GLY A 33 -2.647 -4.274 11.196 1.00 0.00 C ATOM 534 O GLY A 33 -3.257 -4.665 10.202 1.00 0.00 O ATOM 0 H GLY A 33 -3.429 -2.176 9.761 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.884 -2.566 12.271 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.633 -2.658 12.231 1.00 0.00 H new ATOM 538 N GLY A 34 -1.884 -5.042 11.959 1.00 0.00 N ATOM 539 CA GLY A 34 -1.709 -6.454 11.662 1.00 0.00 C ATOM 540 C GLY A 34 -0.547 -6.670 10.690 1.00 0.00 C ATOM 541 O GLY A 34 -0.734 -7.223 9.608 1.00 0.00 O ATOM 0 H GLY A 34 -1.380 -4.714 12.783 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.523 -7.003 12.585 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.627 -6.855 11.232 1.00 0.00 H new ATOM 545 N LEU A 35 0.626 -6.222 11.112 1.00 0.00 N ATOM 546 CA LEU A 35 1.818 -6.360 10.293 1.00 0.00 C ATOM 547 C LEU A 35 2.583 -7.614 10.719 1.00 0.00 C ATOM 548 O LEU A 35 3.706 -7.843 10.272 1.00 0.00 O ATOM 549 CB LEU A 35 2.656 -5.081 10.347 1.00 0.00 C ATOM 550 CG LEU A 35 1.945 -3.794 9.923 1.00 0.00 C ATOM 551 CD1 LEU A 35 2.950 -2.739 9.458 1.00 0.00 C ATOM 552 CD2 LEU A 35 0.882 -4.080 8.859 1.00 0.00 C ATOM 0 H LEU A 35 0.776 -5.763 12.010 1.00 0.00 H new ATOM 0 HA LEU A 35 1.547 -6.492 9.246 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.021 -4.952 11.366 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.530 -5.216 9.710 1.00 0.00 H new ATOM 0 HG LEU A 35 1.430 -3.387 10.793 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.418 -1.835 9.163 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.636 -2.506 10.272 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.513 -3.123 8.607 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.392 -3.149 8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.355 -4.523 7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.142 -4.772 9.261 1.00 0.00 H new ATOM 564 N SER A 36 1.944 -8.395 11.578 1.00 0.00 N ATOM 565 CA SER A 36 2.550 -9.620 12.070 1.00 0.00 C ATOM 566 C SER A 36 3.612 -9.294 13.122 1.00 0.00 C ATOM 567 O SER A 36 3.424 -9.570 14.306 1.00 0.00 O ATOM 568 CB SER A 36 3.167 -10.427 10.926 1.00 0.00 C ATOM 569 OG SER A 36 4.563 -10.641 11.115 1.00 0.00 O ATOM 0 H SER A 36 1.012 -8.203 11.946 1.00 0.00 H new ATOM 0 HA SER A 36 1.769 -10.227 12.528 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.660 -11.389 10.847 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.005 -9.903 9.984 1.00 0.00 H new ATOM 0 HG SER A 36 4.952 -11.008 10.294 1.00 0.00 H new ATOM 575 N PHE A 37 4.705 -8.710 12.652 1.00 0.00 N ATOM 576 CA PHE A 37 5.797 -8.343 13.537 1.00 0.00 C ATOM 577 C PHE A 37 7.099 -8.160 12.755 1.00 0.00 C ATOM 578 O PHE A 37 7.990 -7.430 13.187 1.00 0.00 O ATOM 579 CB PHE A 37 5.971 -9.491 14.533 1.00 0.00 C ATOM 580 CG PHE A 37 5.400 -9.201 15.923 1.00 0.00 C ATOM 581 CD1 PHE A 37 5.520 -7.959 16.462 1.00 0.00 C ATOM 582 CD2 PHE A 37 4.771 -10.187 16.618 1.00 0.00 C ATOM 583 CE1 PHE A 37 4.990 -7.690 17.752 1.00 0.00 C ATOM 584 CE2 PHE A 37 4.240 -9.918 17.908 1.00 0.00 C ATOM 585 CZ PHE A 37 4.361 -8.676 18.447 1.00 0.00 C ATOM 0 H PHE A 37 4.857 -8.482 11.670 1.00 0.00 H new ATOM 0 HA PHE A 37 5.570 -7.402 14.037 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.489 -10.382 14.132 1.00 0.00 H new ATOM 0 HB3 PHE A 37 7.033 -9.718 14.628 1.00 0.00 H new ATOM 0 HD1 PHE A 37 6.018 -7.176 15.909 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.675 -11.174 16.189 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.086 -6.703 18.181 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.740 -10.700 18.460 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.957 -8.472 19.428 1.00 0.00 H new ATOM 595 N GLU A 38 7.168 -8.835 11.618 1.00 0.00 N ATOM 596 CA GLU A 38 8.347 -8.757 10.771 1.00 0.00 C ATOM 597 C GLU A 38 8.250 -7.548 9.838 1.00 0.00 C ATOM 598 O GLU A 38 9.190 -6.761 9.736 1.00 0.00 O ATOM 599 CB GLU A 38 8.538 -10.050 9.976 1.00 0.00 C ATOM 600 CG GLU A 38 9.782 -10.805 10.449 1.00 0.00 C ATOM 601 CD GLU A 38 10.895 -10.739 9.401 1.00 0.00 C ATOM 602 OE1 GLU A 38 10.675 -11.295 8.304 1.00 0.00 O ATOM 603 OE2 GLU A 38 11.941 -10.135 9.722 1.00 0.00 O ATOM 0 H GLU A 38 6.427 -9.439 11.263 1.00 0.00 H new ATOM 0 HA GLU A 38 9.222 -8.630 11.409 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.659 -10.684 10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.630 -9.819 8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.136 -10.378 11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.526 -11.846 10.648 1.00 0.00 H new ATOM 610 N THR A 39 7.106 -7.440 9.179 1.00 0.00 N ATOM 611 CA THR A 39 6.874 -6.341 8.257 1.00 0.00 C ATOM 612 C THR A 39 7.509 -5.055 8.790 1.00 0.00 C ATOM 613 O THR A 39 6.941 -4.389 9.654 1.00 0.00 O ATOM 614 CB THR A 39 5.365 -6.224 8.030 1.00 0.00 C ATOM 615 OG1 THR A 39 5.119 -7.054 6.898 1.00 0.00 O ATOM 616 CG2 THR A 39 4.950 -4.827 7.565 1.00 0.00 C ATOM 0 H THR A 39 6.329 -8.096 9.265 1.00 0.00 H new ATOM 0 HA THR A 39 7.349 -6.526 7.294 1.00 0.00 H new ATOM 0 HB THR A 39 4.839 -6.471 8.952 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.662 -7.867 6.964 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.870 -4.798 7.419 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.234 -4.093 8.319 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.450 -4.593 6.625 1.00 0.00 H new ATOM 624 N THR A 40 8.680 -4.744 8.252 1.00 0.00 N ATOM 625 CA THR A 40 9.399 -3.550 8.662 1.00 0.00 C ATOM 626 C THR A 40 8.897 -2.332 7.884 1.00 0.00 C ATOM 627 O THR A 40 8.279 -2.475 6.830 1.00 0.00 O ATOM 628 CB THR A 40 10.895 -3.813 8.482 1.00 0.00 C ATOM 629 OG1 THR A 40 10.956 -4.742 7.403 1.00 0.00 O ATOM 630 CG2 THR A 40 11.503 -4.573 9.662 1.00 0.00 C ATOM 0 H THR A 40 9.148 -5.299 7.536 1.00 0.00 H new ATOM 0 HA THR A 40 9.220 -3.321 9.713 1.00 0.00 H new ATOM 0 HB THR A 40 11.417 -2.865 8.354 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.892 -4.967 7.217 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.566 -4.733 9.483 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.372 -3.992 10.575 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.004 -5.536 9.770 1.00 0.00 H new ATOM 638 N GLU A 41 9.183 -1.160 8.433 1.00 0.00 N ATOM 639 CA GLU A 41 8.769 0.082 7.803 1.00 0.00 C ATOM 640 C GLU A 41 8.889 -0.029 6.282 1.00 0.00 C ATOM 641 O GLU A 41 7.883 -0.004 5.573 1.00 0.00 O ATOM 642 CB GLU A 41 9.585 1.263 8.333 1.00 0.00 C ATOM 643 CG GLU A 41 8.681 2.459 8.641 1.00 0.00 C ATOM 644 CD GLU A 41 9.467 3.770 8.582 1.00 0.00 C ATOM 645 OE1 GLU A 41 9.639 4.278 7.453 1.00 0.00 O ATOM 646 OE2 GLU A 41 9.878 4.234 9.668 1.00 0.00 O ATOM 0 H GLU A 41 9.696 -1.045 9.307 1.00 0.00 H new ATOM 0 HA GLU A 41 7.724 0.263 8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.120 0.965 9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.336 1.550 7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.859 2.491 7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.239 2.340 9.630 1.00 0.00 H new ATOM 653 N GLU A 42 10.126 -0.148 5.824 1.00 0.00 N ATOM 654 CA GLU A 42 10.390 -0.262 4.400 1.00 0.00 C ATOM 655 C GLU A 42 9.471 -1.313 3.773 1.00 0.00 C ATOM 656 O GLU A 42 8.701 -1.006 2.864 1.00 0.00 O ATOM 657 CB GLU A 42 11.861 -0.595 4.140 1.00 0.00 C ATOM 658 CG GLU A 42 12.453 0.335 3.079 1.00 0.00 C ATOM 659 CD GLU A 42 13.980 0.236 3.054 1.00 0.00 C ATOM 660 OE1 GLU A 42 14.472 -0.869 2.738 1.00 0.00 O ATOM 661 OE2 GLU A 42 14.620 1.267 3.352 1.00 0.00 O ATOM 0 H GLU A 42 10.957 -0.168 6.414 1.00 0.00 H new ATOM 0 HA GLU A 42 10.181 0.701 3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.428 -0.503 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.951 -1.631 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.052 0.076 2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.155 1.363 3.284 1.00 0.00 H new ATOM 668 N SER A 43 9.582 -2.530 4.283 1.00 0.00 N ATOM 669 CA SER A 43 8.771 -3.628 3.784 1.00 0.00 C ATOM 670 C SER A 43 7.343 -3.145 3.521 1.00 0.00 C ATOM 671 O SER A 43 6.838 -3.269 2.406 1.00 0.00 O ATOM 672 CB SER A 43 8.763 -4.799 4.769 1.00 0.00 C ATOM 673 OG SER A 43 9.951 -5.580 4.679 1.00 0.00 O ATOM 0 H SER A 43 10.221 -2.781 5.037 1.00 0.00 H new ATOM 0 HA SER A 43 9.207 -3.979 2.849 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.656 -4.418 5.785 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.897 -5.432 4.573 1.00 0.00 H new ATOM 0 HG SER A 43 10.480 -5.467 5.496 1.00 0.00 H new ATOM 679 N LEU A 44 6.733 -2.605 4.566 1.00 0.00 N ATOM 680 CA LEU A 44 5.373 -2.104 4.462 1.00 0.00 C ATOM 681 C LEU A 44 5.260 -1.202 3.231 1.00 0.00 C ATOM 682 O LEU A 44 4.384 -1.401 2.390 1.00 0.00 O ATOM 683 CB LEU A 44 4.953 -1.421 5.765 1.00 0.00 C ATOM 684 CG LEU A 44 3.562 -0.784 5.769 1.00 0.00 C ATOM 685 CD1 LEU A 44 2.494 -1.802 6.176 1.00 0.00 C ATOM 686 CD2 LEU A 44 3.533 0.463 6.656 1.00 0.00 C ATOM 0 H LEU A 44 7.156 -2.503 5.489 1.00 0.00 H new ATOM 0 HA LEU A 44 4.673 -2.927 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.997 -2.157 6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.685 -0.649 6.000 1.00 0.00 H new ATOM 0 HG LEU A 44 3.330 -0.463 4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.515 -1.324 6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.496 -2.633 5.471 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.710 -2.176 7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.533 0.897 6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.795 0.189 7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.251 1.193 6.281 1.00 0.00 H new ATOM 698 N ARG A 45 6.158 -0.231 3.163 1.00 0.00 N ATOM 699 CA ARG A 45 6.170 0.702 2.049 1.00 0.00 C ATOM 700 C ARG A 45 6.266 -0.056 0.723 1.00 0.00 C ATOM 701 O ARG A 45 5.485 0.190 -0.195 1.00 0.00 O ATOM 702 CB ARG A 45 7.345 1.675 2.158 1.00 0.00 C ATOM 703 CG ARG A 45 7.062 2.762 3.197 1.00 0.00 C ATOM 704 CD ARG A 45 8.305 3.047 4.044 1.00 0.00 C ATOM 705 NE ARG A 45 9.245 3.906 3.289 1.00 0.00 N ATOM 706 CZ ARG A 45 10.379 4.406 3.798 1.00 0.00 C ATOM 707 NH1 ARG A 45 10.721 4.137 5.065 1.00 0.00 N ATOM 708 NH2 ARG A 45 11.171 5.176 3.039 1.00 0.00 N ATOM 0 H ARG A 45 6.883 -0.070 3.862 1.00 0.00 H new ATOM 0 HA ARG A 45 5.240 1.269 2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.248 1.131 2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.533 2.134 1.188 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.742 3.675 2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.242 2.449 3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.017 3.538 4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.793 2.111 4.316 1.00 0.00 H new ATOM 0 HE ARG A 45 9.015 4.131 2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.118 3.551 5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.584 4.518 5.452 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.910 5.381 2.074 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.034 5.557 3.426 1.00 0.00 H new ATOM 722 N ASN A 46 7.230 -0.964 0.665 1.00 0.00 N ATOM 723 CA ASN A 46 7.438 -1.759 -0.533 1.00 0.00 C ATOM 724 C ASN A 46 6.096 -2.323 -1.005 1.00 0.00 C ATOM 725 O ASN A 46 5.920 -2.608 -2.188 1.00 0.00 O ATOM 726 CB ASN A 46 8.374 -2.937 -0.256 1.00 0.00 C ATOM 727 CG ASN A 46 8.624 -3.749 -1.528 1.00 0.00 C ATOM 728 OD1 ASN A 46 9.154 -3.262 -2.513 1.00 0.00 O ATOM 729 ND2 ASN A 46 8.214 -5.012 -1.453 1.00 0.00 N ATOM 0 H ASN A 46 7.875 -1.166 1.429 1.00 0.00 H new ATOM 0 HA ASN A 46 7.882 -1.115 -1.292 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.322 -2.569 0.137 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.939 -3.579 0.510 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.336 -5.636 -2.251 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.778 -5.357 -0.598 1.00 0.00 H new ATOM 736 N TYR A 47 5.183 -2.467 -0.054 1.00 0.00 N ATOM 737 CA TYR A 47 3.863 -2.991 -0.358 1.00 0.00 C ATOM 738 C TYR A 47 2.884 -1.860 -0.680 1.00 0.00 C ATOM 739 O TYR A 47 2.130 -1.944 -1.648 1.00 0.00 O ATOM 740 CB TYR A 47 3.393 -3.710 0.908 1.00 0.00 C ATOM 741 CG TYR A 47 2.267 -4.718 0.670 1.00 0.00 C ATOM 742 CD1 TYR A 47 2.522 -5.888 -0.017 1.00 0.00 C ATOM 743 CD2 TYR A 47 0.996 -4.457 1.141 1.00 0.00 C ATOM 744 CE1 TYR A 47 1.462 -6.837 -0.241 1.00 0.00 C ATOM 745 CE2 TYR A 47 -0.064 -5.406 0.917 1.00 0.00 C ATOM 746 CZ TYR A 47 0.221 -6.549 0.237 1.00 0.00 C ATOM 747 OH TYR A 47 -0.780 -7.445 0.025 1.00 0.00 O ATOM 0 H TYR A 47 5.332 -2.230 0.927 1.00 0.00 H new ATOM 0 HA TYR A 47 3.903 -3.651 -1.224 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.241 -4.228 1.356 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.055 -2.967 1.631 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.516 -6.092 -0.386 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.796 -3.541 1.677 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.648 -7.756 -0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.063 -5.214 1.281 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.542 -8.304 0.434 1.00 0.00 H new ATOM 757 N TYR A 48 2.929 -0.828 0.149 1.00 0.00 N ATOM 758 CA TYR A 48 2.056 0.319 -0.035 1.00 0.00 C ATOM 759 C TYR A 48 2.709 1.366 -0.940 1.00 0.00 C ATOM 760 O TYR A 48 2.358 2.543 -0.886 1.00 0.00 O ATOM 761 CB TYR A 48 1.851 0.921 1.356 1.00 0.00 C ATOM 762 CG TYR A 48 0.706 0.285 2.147 1.00 0.00 C ATOM 763 CD1 TYR A 48 0.940 -0.833 2.922 1.00 0.00 C ATOM 764 CD2 TYR A 48 -0.561 0.829 2.086 1.00 0.00 C ATOM 765 CE1 TYR A 48 -0.138 -1.431 3.667 1.00 0.00 C ATOM 766 CE2 TYR A 48 -1.638 0.230 2.830 1.00 0.00 C ATOM 767 CZ TYR A 48 -1.374 -0.870 3.584 1.00 0.00 C ATOM 768 OH TYR A 48 -2.391 -1.436 4.287 1.00 0.00 O ATOM 0 H TYR A 48 3.557 -0.762 0.950 1.00 0.00 H new ATOM 0 HA TYR A 48 1.119 0.016 -0.502 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.774 0.816 1.926 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.659 1.989 1.254 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.931 -1.259 2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.744 1.704 1.480 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.032 -2.305 4.278 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.634 0.645 2.790 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.920 -2.009 3.693 1.00 0.00 H new ATOM 778 N GLU A 49 3.648 0.898 -1.749 1.00 0.00 N ATOM 779 CA GLU A 49 4.354 1.779 -2.664 1.00 0.00 C ATOM 780 C GLU A 49 3.757 1.673 -4.069 1.00 0.00 C ATOM 781 O GLU A 49 3.907 2.585 -4.881 1.00 0.00 O ATOM 782 CB GLU A 49 5.851 1.469 -2.679 1.00 0.00 C ATOM 783 CG GLU A 49 6.623 2.447 -1.792 1.00 0.00 C ATOM 784 CD GLU A 49 7.911 2.909 -2.477 1.00 0.00 C ATOM 785 OE1 GLU A 49 8.788 2.042 -2.681 1.00 0.00 O ATOM 786 OE2 GLU A 49 7.991 4.119 -2.779 1.00 0.00 O ATOM 0 H GLU A 49 3.936 -0.080 -1.790 1.00 0.00 H new ATOM 0 HA GLU A 49 4.233 2.805 -2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.018 0.449 -2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.227 1.525 -3.701 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.997 3.310 -1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.863 1.970 -0.842 1.00 0.00 H new ATOM 793 N GLN A 50 3.094 0.552 -4.313 1.00 0.00 N ATOM 794 CA GLN A 50 2.475 0.315 -5.606 1.00 0.00 C ATOM 795 C GLN A 50 1.188 1.132 -5.736 1.00 0.00 C ATOM 796 O GLN A 50 0.815 1.539 -6.835 1.00 0.00 O ATOM 797 CB GLN A 50 2.202 -1.175 -5.818 1.00 0.00 C ATOM 798 CG GLN A 50 1.149 -1.686 -4.832 1.00 0.00 C ATOM 799 CD GLN A 50 1.683 -2.869 -4.023 1.00 0.00 C ATOM 800 OE1 GLN A 50 2.859 -3.194 -4.051 1.00 0.00 O ATOM 801 NE2 GLN A 50 0.756 -3.494 -3.302 1.00 0.00 N ATOM 0 H GLN A 50 2.972 -0.202 -3.637 1.00 0.00 H new ATOM 0 HA GLN A 50 3.168 0.638 -6.383 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.861 -1.344 -6.839 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.126 -1.739 -5.693 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.857 -0.881 -4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.253 -1.987 -5.375 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.211 -3.170 -3.324 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.012 -4.297 -2.727 1.00 0.00 H new ATOM 810 N TRP A 51 0.544 1.347 -4.598 1.00 0.00 N ATOM 811 CA TRP A 51 -0.694 2.108 -4.571 1.00 0.00 C ATOM 812 C TRP A 51 -0.336 3.594 -4.635 1.00 0.00 C ATOM 813 O TRP A 51 -1.022 4.373 -5.294 1.00 0.00 O ATOM 814 CB TRP A 51 -1.532 1.747 -3.343 1.00 0.00 C ATOM 815 CG TRP A 51 -2.098 0.325 -3.372 1.00 0.00 C ATOM 816 CD1 TRP A 51 -2.793 -0.266 -4.353 1.00 0.00 C ATOM 817 CD2 TRP A 51 -1.987 -0.665 -2.328 1.00 0.00 C ATOM 818 NE1 TRP A 51 -3.137 -1.560 -4.019 1.00 0.00 N ATOM 819 CE2 TRP A 51 -2.631 -1.811 -2.749 1.00 0.00 C ATOM 820 CE3 TRP A 51 -1.362 -0.596 -1.071 1.00 0.00 C ATOM 821 CZ2 TRP A 51 -2.713 -2.973 -1.973 1.00 0.00 C ATOM 822 CZ3 TRP A 51 -1.453 -1.765 -0.307 1.00 0.00 C ATOM 823 CH2 TRP A 51 -2.099 -2.927 -0.716 1.00 0.00 C ATOM 0 H TRP A 51 0.856 1.008 -3.688 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.317 1.863 -5.431 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.919 1.865 -2.450 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -2.357 2.454 -3.258 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.051 0.210 -5.287 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -3.666 -2.213 -4.598 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.852 0.290 -0.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.223 -3.858 -2.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -0.989 -1.765 0.668 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -2.127 -3.790 -0.067 1.00 0.00 H new ATOM 834 N GLY A 52 0.737 3.942 -3.941 1.00 0.00 N ATOM 835 CA GLY A 52 1.194 5.321 -3.910 1.00 0.00 C ATOM 836 C GLY A 52 2.453 5.463 -3.052 1.00 0.00 C ATOM 837 O GLY A 52 2.697 4.649 -2.163 1.00 0.00 O ATOM 0 H GLY A 52 1.304 3.293 -3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.401 5.662 -4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.405 5.960 -3.513 1.00 0.00 H new ATOM 841 N LYS A 53 3.218 6.503 -3.349 1.00 0.00 N ATOM 842 CA LYS A 53 4.446 6.762 -2.616 1.00 0.00 C ATOM 843 C LYS A 53 4.104 7.381 -1.259 1.00 0.00 C ATOM 844 O LYS A 53 3.522 8.463 -1.195 1.00 0.00 O ATOM 845 CB LYS A 53 5.402 7.612 -3.455 1.00 0.00 C ATOM 846 CG LYS A 53 6.326 6.728 -4.297 1.00 0.00 C ATOM 847 CD LYS A 53 6.356 7.197 -5.753 1.00 0.00 C ATOM 848 CE LYS A 53 5.153 6.656 -6.528 1.00 0.00 C ATOM 849 NZ LYS A 53 5.593 6.024 -7.792 1.00 0.00 N ATOM 0 H LYS A 53 3.012 7.176 -4.087 1.00 0.00 H new ATOM 0 HA LYS A 53 4.975 5.830 -2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.830 8.272 -4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.998 8.248 -2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.334 6.751 -3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.986 5.693 -4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.356 8.286 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.279 6.863 -6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.617 5.929 -5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.457 7.467 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.764 5.662 -8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.084 6.728 -8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.240 5.238 -7.580 1.00 0.00 H new ATOM 863 N LEU A 54 4.478 6.667 -0.208 1.00 0.00 N ATOM 864 CA LEU A 54 4.218 7.133 1.144 1.00 0.00 C ATOM 865 C LEU A 54 5.226 8.226 1.505 1.00 0.00 C ATOM 866 O LEU A 54 6.392 7.937 1.771 1.00 0.00 O ATOM 867 CB LEU A 54 4.209 5.957 2.123 1.00 0.00 C ATOM 868 CG LEU A 54 3.525 4.680 1.631 1.00 0.00 C ATOM 869 CD1 LEU A 54 3.771 3.520 2.598 1.00 0.00 C ATOM 870 CD2 LEU A 54 2.033 4.917 1.387 1.00 0.00 C ATOM 0 H LEU A 54 4.959 5.769 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 54 3.226 7.580 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.240 5.717 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.717 6.278 3.041 1.00 0.00 H new ATOM 0 HG LEU A 54 3.967 4.401 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.274 2.624 2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.842 3.334 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.372 3.774 3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.570 3.994 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.558 5.232 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.907 5.694 0.633 1.00 0.00 H new ATOM 882 N THR A 55 4.740 9.459 1.502 1.00 0.00 N ATOM 883 CA THR A 55 5.584 10.596 1.826 1.00 0.00 C ATOM 884 C THR A 55 6.070 10.505 3.274 1.00 0.00 C ATOM 885 O THR A 55 7.145 11.003 3.604 1.00 0.00 O ATOM 886 CB THR A 55 4.791 11.872 1.531 1.00 0.00 C ATOM 887 OG1 THR A 55 3.626 11.752 2.342 1.00 0.00 O ATOM 888 CG2 THR A 55 4.248 11.905 0.101 1.00 0.00 C ATOM 0 H THR A 55 3.773 9.695 1.280 1.00 0.00 H new ATOM 0 HA THR A 55 6.486 10.606 1.214 1.00 0.00 H new ATOM 0 HB THR A 55 5.426 12.742 1.699 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.056 12.539 2.214 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.694 12.830 -0.056 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.077 11.854 -0.604 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.585 11.054 -0.056 1.00 0.00 H new ATOM 896 N ASP A 56 5.255 9.864 4.099 1.00 0.00 N ATOM 897 CA ASP A 56 5.588 9.700 5.504 1.00 0.00 C ATOM 898 C ASP A 56 5.039 8.362 6.001 1.00 0.00 C ATOM 899 O ASP A 56 3.827 8.155 6.028 1.00 0.00 O ATOM 900 CB ASP A 56 4.965 10.811 6.351 1.00 0.00 C ATOM 901 CG ASP A 56 5.885 11.402 7.421 1.00 0.00 C ATOM 902 OD1 ASP A 56 6.667 10.613 7.995 1.00 0.00 O ATOM 903 OD2 ASP A 56 5.785 12.628 7.642 1.00 0.00 O ATOM 0 H ASP A 56 4.364 9.452 3.821 1.00 0.00 H new ATOM 0 HA ASP A 56 6.673 9.739 5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.641 11.614 5.689 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.072 10.419 6.838 1.00 0.00 H new ATOM 908 N CYS A 57 5.958 7.487 6.384 1.00 0.00 N ATOM 909 CA CYS A 57 5.581 6.174 6.879 1.00 0.00 C ATOM 910 C CYS A 57 6.266 5.955 8.229 1.00 0.00 C ATOM 911 O CYS A 57 7.482 6.105 8.344 1.00 0.00 O ATOM 912 CB CYS A 57 5.928 5.071 5.877 1.00 0.00 C ATOM 913 SG CYS A 57 5.478 3.436 6.567 1.00 0.00 S ATOM 0 H CYS A 57 6.963 7.662 6.361 1.00 0.00 H new ATOM 0 HA CYS A 57 4.500 6.128 7.010 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.396 5.239 4.940 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.993 5.098 5.648 1.00 0.00 H new ATOM 0 HG CYS A 57 4.385 3.544 7.262 1.00 0.00 H new ATOM 919 N VAL A 58 5.457 5.604 9.218 1.00 0.00 N ATOM 920 CA VAL A 58 5.970 5.363 10.555 1.00 0.00 C ATOM 921 C VAL A 58 5.505 3.986 11.035 1.00 0.00 C ATOM 922 O VAL A 58 4.324 3.657 10.935 1.00 0.00 O ATOM 923 CB VAL A 58 5.546 6.497 11.491 1.00 0.00 C ATOM 924 CG1 VAL A 58 5.587 6.046 12.952 1.00 0.00 C ATOM 925 CG2 VAL A 58 6.413 7.739 11.275 1.00 0.00 C ATOM 0 H VAL A 58 4.449 5.481 9.119 1.00 0.00 H new ATOM 0 HA VAL A 58 7.060 5.354 10.550 1.00 0.00 H new ATOM 0 HB VAL A 58 4.516 6.762 11.252 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.281 6.871 13.596 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.908 5.205 13.092 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.601 5.741 13.210 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.091 8.530 11.952 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.456 7.494 11.474 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.310 8.080 10.245 1.00 0.00 H new ATOM 935 N VAL A 59 6.457 3.219 11.545 1.00 0.00 N ATOM 936 CA VAL A 59 6.160 1.886 12.041 1.00 0.00 C ATOM 937 C VAL A 59 6.388 1.846 13.553 1.00 0.00 C ATOM 938 O VAL A 59 7.519 1.983 14.017 1.00 0.00 O ATOM 939 CB VAL A 59 6.991 0.849 11.283 1.00 0.00 C ATOM 940 CG1 VAL A 59 8.479 0.999 11.602 1.00 0.00 C ATOM 941 CG2 VAL A 59 6.505 -0.570 11.586 1.00 0.00 C ATOM 0 H VAL A 59 7.436 3.495 11.626 1.00 0.00 H new ATOM 0 HA VAL A 59 5.114 1.637 11.864 1.00 0.00 H new ATOM 0 HB VAL A 59 6.858 1.028 10.216 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.047 0.250 11.050 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.815 1.995 11.312 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.638 0.859 12.671 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.112 -1.288 11.035 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.594 -0.765 12.655 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.462 -0.670 11.284 1.00 0.00 H new ATOM 951 N MET A 60 5.297 1.658 14.279 1.00 0.00 N ATOM 952 CA MET A 60 5.364 1.598 15.730 1.00 0.00 C ATOM 953 C MET A 60 6.086 0.331 16.193 1.00 0.00 C ATOM 954 O MET A 60 5.979 -0.717 15.558 1.00 0.00 O ATOM 955 CB MET A 60 3.947 1.618 16.308 1.00 0.00 C ATOM 956 CG MET A 60 3.342 3.021 16.225 1.00 0.00 C ATOM 957 SD MET A 60 4.335 4.171 17.161 1.00 0.00 S ATOM 958 CE MET A 60 5.313 4.878 15.846 1.00 0.00 C ATOM 0 H MET A 60 4.361 1.545 13.890 1.00 0.00 H new ATOM 0 HA MET A 60 5.923 2.463 16.085 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.318 0.914 15.763 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.969 1.288 17.347 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.285 3.340 15.184 1.00 0.00 H new ATOM 0 HG3 MET A 60 2.323 3.010 16.611 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.350 4.965 16.170 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.260 4.235 14.967 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.927 5.866 15.596 1.00 0.00 H new ATOM 968 N ARG A 61 6.806 0.469 17.297 1.00 0.00 N ATOM 969 CA ARG A 61 7.546 -0.651 17.853 1.00 0.00 C ATOM 970 C ARG A 61 7.177 -0.854 19.323 1.00 0.00 C ATOM 971 O ARG A 61 6.632 0.047 19.960 1.00 0.00 O ATOM 972 CB ARG A 61 9.055 -0.424 17.740 1.00 0.00 C ATOM 973 CG ARG A 61 9.449 -0.058 16.308 1.00 0.00 C ATOM 974 CD ARG A 61 10.932 -0.343 16.057 1.00 0.00 C ATOM 975 NE ARG A 61 11.146 -0.698 14.636 1.00 0.00 N ATOM 976 CZ ARG A 61 11.050 0.173 13.622 1.00 0.00 C ATOM 977 NH1 ARG A 61 10.744 1.455 13.866 1.00 0.00 N ATOM 978 NH2 ARG A 61 11.261 -0.237 12.364 1.00 0.00 N ATOM 0 H ARG A 61 6.893 1.340 17.821 1.00 0.00 H new ATOM 0 HA ARG A 61 7.280 -1.540 17.282 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.358 0.373 18.419 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.586 -1.325 18.048 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.842 -0.626 15.603 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.242 0.997 16.129 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.528 0.532 16.315 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.268 -1.158 16.698 1.00 0.00 H new ATOM 0 HE ARG A 61 11.381 -1.666 14.415 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.584 1.768 14.824 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.671 2.118 13.094 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.495 -1.212 12.178 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.188 0.426 11.592 1.00 0.00 H new ATOM 992 N ASP A 62 7.487 -2.042 19.820 1.00 0.00 N ATOM 993 CA ASP A 62 7.194 -2.375 21.204 1.00 0.00 C ATOM 994 C ASP A 62 8.162 -1.624 22.120 1.00 0.00 C ATOM 995 O ASP A 62 9.376 -1.683 21.928 1.00 0.00 O ATOM 996 CB ASP A 62 7.368 -3.873 21.459 1.00 0.00 C ATOM 997 CG ASP A 62 6.605 -4.416 22.668 1.00 0.00 C ATOM 998 OD1 ASP A 62 6.706 -3.776 23.737 1.00 0.00 O ATOM 999 OD2 ASP A 62 5.937 -5.459 22.497 1.00 0.00 O ATOM 0 H ASP A 62 7.938 -2.787 19.289 1.00 0.00 H new ATOM 0 HA ASP A 62 6.161 -2.092 21.407 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.046 -4.417 20.571 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.429 -4.082 21.594 1.00 0.00 H new ATOM 1004 N PRO A 63 7.574 -0.918 23.122 1.00 0.00 N ATOM 1005 CA PRO A 63 8.371 -0.156 24.069 1.00 0.00 C ATOM 1006 C PRO A 63 9.057 -1.081 25.077 1.00 0.00 C ATOM 1007 O PRO A 63 9.932 -0.649 25.825 1.00 0.00 O ATOM 1008 CB PRO A 63 7.394 0.810 24.719 1.00 0.00 C ATOM 1009 CG PRO A 63 6.009 0.243 24.454 1.00 0.00 C ATOM 1010 CD PRO A 63 6.140 -0.825 23.380 1.00 0.00 C ATOM 0 HA PRO A 63 9.187 0.386 23.591 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.583 0.895 25.789 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.494 1.810 24.297 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.590 -0.182 25.366 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.330 1.031 24.128 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.736 -1.779 23.719 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.593 -0.549 22.479 1.00 0.00 H new ATOM 1018 N ALA A 64 8.634 -2.336 25.063 1.00 0.00 N ATOM 1019 CA ALA A 64 9.197 -3.326 25.966 1.00 0.00 C ATOM 1020 C ALA A 64 10.086 -4.286 25.174 1.00 0.00 C ATOM 1021 O ALA A 64 11.117 -4.736 25.671 1.00 0.00 O ATOM 1022 CB ALA A 64 8.065 -4.049 26.700 1.00 0.00 C ATOM 0 H ALA A 64 7.908 -2.691 24.441 1.00 0.00 H new ATOM 0 HA ALA A 64 9.821 -2.847 26.720 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.487 -4.792 27.377 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.482 -3.327 27.271 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.419 -4.544 25.975 1.00 0.00 H new ATOM 1028 N SER A 65 9.654 -4.572 23.954 1.00 0.00 N ATOM 1029 CA SER A 65 10.398 -5.471 23.089 1.00 0.00 C ATOM 1030 C SER A 65 11.480 -4.695 22.335 1.00 0.00 C ATOM 1031 O SER A 65 12.599 -5.180 22.176 1.00 0.00 O ATOM 1032 CB SER A 65 9.468 -6.180 22.101 1.00 0.00 C ATOM 1033 OG SER A 65 9.680 -7.589 22.086 1.00 0.00 O ATOM 0 H SER A 65 8.798 -4.197 23.545 1.00 0.00 H new ATOM 0 HA SER A 65 10.871 -6.231 23.711 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.431 -5.972 22.366 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.628 -5.779 21.100 1.00 0.00 H new ATOM 0 HG SER A 65 9.067 -8.005 21.445 1.00 0.00 H new ATOM 1039 N LYS A 66 11.108 -3.503 21.891 1.00 0.00 N ATOM 1040 CA LYS A 66 12.033 -2.656 21.158 1.00 0.00 C ATOM 1041 C LYS A 66 12.342 -3.297 19.803 1.00 0.00 C ATOM 1042 O LYS A 66 13.483 -3.272 19.346 1.00 0.00 O ATOM 1043 CB LYS A 66 13.278 -2.368 21.999 1.00 0.00 C ATOM 1044 CG LYS A 66 12.908 -1.645 23.296 1.00 0.00 C ATOM 1045 CD LYS A 66 13.952 -0.583 23.648 1.00 0.00 C ATOM 1046 CE LYS A 66 13.703 -0.013 25.046 1.00 0.00 C ATOM 1047 NZ LYS A 66 14.045 -1.013 26.082 1.00 0.00 N ATOM 0 H LYS A 66 10.179 -3.104 22.025 1.00 0.00 H new ATOM 0 HA LYS A 66 11.581 -1.685 20.956 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.788 -3.303 22.232 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.976 -1.759 21.425 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.929 -1.177 23.189 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.829 -2.367 24.109 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.950 -1.019 23.601 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.921 0.221 22.913 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.301 0.887 25.190 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.658 0.279 25.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.117 -0.544 27.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.304 -1.741 26.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.955 -1.458 25.848 1.00 0.00 H new ATOM 1061 N ARG A 67 11.303 -3.856 19.199 1.00 0.00 N ATOM 1062 CA ARG A 67 11.449 -4.503 17.906 1.00 0.00 C ATOM 1063 C ARG A 67 10.425 -3.945 16.915 1.00 0.00 C ATOM 1064 O ARG A 67 10.778 -3.190 16.011 1.00 0.00 O ATOM 1065 CB ARG A 67 11.263 -6.017 18.023 1.00 0.00 C ATOM 1066 CG ARG A 67 12.363 -6.640 18.885 1.00 0.00 C ATOM 1067 CD ARG A 67 13.592 -6.983 18.042 1.00 0.00 C ATOM 1068 NE ARG A 67 14.774 -7.157 18.916 1.00 0.00 N ATOM 1069 CZ ARG A 67 15.969 -7.584 18.488 1.00 0.00 C ATOM 1070 NH1 ARG A 67 16.149 -7.885 17.194 1.00 0.00 N ATOM 1071 NH2 ARG A 67 16.984 -7.712 19.353 1.00 0.00 N ATOM 0 H ARG A 67 10.357 -3.874 19.581 1.00 0.00 H new ATOM 0 HA ARG A 67 12.457 -4.300 17.545 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.288 -6.235 18.459 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.276 -6.466 17.030 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.644 -5.948 19.679 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.985 -7.542 19.367 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.411 -7.896 17.475 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.779 -6.190 17.318 1.00 0.00 H new ATOM 0 HE ARG A 67 14.672 -6.938 19.907 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.376 -7.789 16.536 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.059 -8.210 16.868 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.847 -7.484 20.338 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.894 -8.037 19.027 1.00 0.00 H new ATOM 1085 N SER A 68 9.176 -4.340 17.119 1.00 0.00 N ATOM 1086 CA SER A 68 8.099 -3.889 16.255 1.00 0.00 C ATOM 1087 C SER A 68 6.747 -4.171 16.914 1.00 0.00 C ATOM 1088 O SER A 68 6.583 -5.183 17.594 1.00 0.00 O ATOM 1089 CB SER A 68 8.172 -4.564 14.884 1.00 0.00 C ATOM 1090 OG SER A 68 9.066 -3.888 14.004 1.00 0.00 O ATOM 0 H SER A 68 8.887 -4.967 17.870 1.00 0.00 H new ATOM 0 HA SER A 68 8.207 -2.815 16.107 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.495 -5.598 15.005 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.177 -4.591 14.440 1.00 0.00 H new ATOM 0 HG SER A 68 9.807 -3.508 14.520 1.00 0.00 H new ATOM 1096 N ARG A 69 5.813 -3.259 16.689 1.00 0.00 N ATOM 1097 CA ARG A 69 4.480 -3.397 17.252 1.00 0.00 C ATOM 1098 C ARG A 69 3.580 -4.185 16.298 1.00 0.00 C ATOM 1099 O ARG A 69 2.639 -4.848 16.731 1.00 0.00 O ATOM 1100 CB ARG A 69 3.852 -2.029 17.523 1.00 0.00 C ATOM 1101 CG ARG A 69 4.236 -1.514 18.911 1.00 0.00 C ATOM 1102 CD ARG A 69 3.077 -1.679 19.897 1.00 0.00 C ATOM 1103 NE ARG A 69 2.807 -3.116 20.125 1.00 0.00 N ATOM 1104 CZ ARG A 69 2.152 -3.597 21.191 1.00 0.00 C ATOM 1105 NH1 ARG A 69 1.697 -2.759 22.132 1.00 0.00 N ATOM 1106 NH2 ARG A 69 1.953 -4.916 21.315 1.00 0.00 N ATOM 0 H ARG A 69 5.953 -2.421 16.124 1.00 0.00 H new ATOM 0 HA ARG A 69 4.573 -3.934 18.196 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.179 -1.318 16.764 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.767 -2.101 17.445 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.108 -2.056 19.276 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.518 -0.463 18.848 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.320 -1.192 20.841 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.184 -1.190 19.507 1.00 0.00 H new ATOM 0 HE ARG A 69 3.140 -3.782 19.428 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.849 -1.755 22.037 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.199 -3.125 22.943 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.300 -5.554 20.598 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.455 -5.283 22.126 1.00 0.00 H new ATOM 1120 N GLY A 70 3.900 -4.086 15.016 1.00 0.00 N ATOM 1121 CA GLY A 70 3.132 -4.780 13.997 1.00 0.00 C ATOM 1122 C GLY A 70 2.078 -3.858 13.381 1.00 0.00 C ATOM 1123 O GLY A 70 1.125 -4.326 12.759 1.00 0.00 O ATOM 0 H GLY A 70 4.681 -3.535 14.660 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.801 -5.145 13.218 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.646 -5.652 14.434 1.00 0.00 H new ATOM 1127 N PHE A 71 2.283 -2.564 13.576 1.00 0.00 N ATOM 1128 CA PHE A 71 1.362 -1.572 13.048 1.00 0.00 C ATOM 1129 C PHE A 71 2.027 -0.196 12.966 1.00 0.00 C ATOM 1130 O PHE A 71 2.921 0.114 13.752 1.00 0.00 O ATOM 1131 CB PHE A 71 0.181 -1.497 14.018 1.00 0.00 C ATOM 1132 CG PHE A 71 0.342 -0.443 15.115 1.00 0.00 C ATOM 1133 CD1 PHE A 71 0.288 0.879 14.801 1.00 0.00 C ATOM 1134 CD2 PHE A 71 0.539 -0.829 16.404 1.00 0.00 C ATOM 1135 CE1 PHE A 71 0.437 1.857 15.820 1.00 0.00 C ATOM 1136 CE2 PHE A 71 0.689 0.150 17.423 1.00 0.00 C ATOM 1137 CZ PHE A 71 0.634 1.472 17.109 1.00 0.00 C ATOM 0 H PHE A 71 3.074 -2.179 14.093 1.00 0.00 H new ATOM 0 HA PHE A 71 1.046 -1.854 12.044 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.726 -1.283 13.453 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.044 -2.473 14.484 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.132 1.185 13.777 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.581 -1.879 16.653 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.394 2.907 15.571 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.847 -0.156 18.447 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.747 2.216 17.884 1.00 0.00 H new ATOM 1147 N GLY A 72 1.564 0.593 12.008 1.00 0.00 N ATOM 1148 CA GLY A 72 2.102 1.929 11.812 1.00 0.00 C ATOM 1149 C GLY A 72 1.149 2.787 10.977 1.00 0.00 C ATOM 1150 O GLY A 72 -0.039 2.484 10.878 1.00 0.00 O ATOM 0 H GLY A 72 0.822 0.333 11.358 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.270 2.403 12.779 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.070 1.866 11.315 1.00 0.00 H new ATOM 1154 N PHE A 73 1.707 3.840 10.398 1.00 0.00 N ATOM 1155 CA PHE A 73 0.922 4.744 9.575 1.00 0.00 C ATOM 1156 C PHE A 73 1.574 4.945 8.206 1.00 0.00 C ATOM 1157 O PHE A 73 2.799 4.995 8.099 1.00 0.00 O ATOM 1158 CB PHE A 73 0.873 6.087 10.306 1.00 0.00 C ATOM 1159 CG PHE A 73 0.725 5.964 11.824 1.00 0.00 C ATOM 1160 CD1 PHE A 73 1.793 5.605 12.585 1.00 0.00 C ATOM 1161 CD2 PHE A 73 -0.476 6.214 12.412 1.00 0.00 C ATOM 1162 CE1 PHE A 73 1.655 5.491 13.993 1.00 0.00 C ATOM 1163 CE2 PHE A 73 -0.614 6.100 13.820 1.00 0.00 C ATOM 1164 CZ PHE A 73 0.455 5.741 14.581 1.00 0.00 C ATOM 0 H PHE A 73 2.693 4.087 10.483 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.074 4.331 9.416 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.784 6.643 10.084 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.039 6.671 9.916 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.746 5.407 12.118 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.324 6.499 11.808 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.503 5.206 14.597 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.567 6.298 14.287 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.350 5.655 15.652 1.00 0.00 H new ATOM 1174 N VAL A 74 0.728 5.056 7.192 1.00 0.00 N ATOM 1175 CA VAL A 74 1.207 5.250 5.835 1.00 0.00 C ATOM 1176 C VAL A 74 0.566 6.510 5.248 1.00 0.00 C ATOM 1177 O VAL A 74 -0.634 6.533 4.982 1.00 0.00 O ATOM 1178 CB VAL A 74 0.937 3.997 4.999 1.00 0.00 C ATOM 1179 CG1 VAL A 74 1.786 2.821 5.486 1.00 0.00 C ATOM 1180 CG2 VAL A 74 -0.551 3.642 5.010 1.00 0.00 C ATOM 0 H VAL A 74 -0.287 5.015 7.284 1.00 0.00 H new ATOM 0 HA VAL A 74 2.287 5.401 5.829 1.00 0.00 H new ATOM 0 HB VAL A 74 1.222 4.212 3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.575 1.943 4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.843 3.076 5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.546 2.605 6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.716 2.748 4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.873 3.455 6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.126 4.470 4.595 1.00 0.00 H new ATOM 1190 N THR A 75 1.396 7.526 5.062 1.00 0.00 N ATOM 1191 CA THR A 75 0.925 8.786 4.512 1.00 0.00 C ATOM 1192 C THR A 75 1.178 8.836 3.004 1.00 0.00 C ATOM 1193 O THR A 75 2.307 9.053 2.567 1.00 0.00 O ATOM 1194 CB THR A 75 1.605 9.921 5.280 1.00 0.00 C ATOM 1195 OG1 THR A 75 1.441 9.560 6.649 1.00 0.00 O ATOM 1196 CG2 THR A 75 0.853 11.247 5.151 1.00 0.00 C ATOM 0 H THR A 75 2.392 7.502 5.282 1.00 0.00 H new ATOM 0 HA THR A 75 -0.153 8.893 4.633 1.00 0.00 H new ATOM 0 HB THR A 75 2.625 10.046 4.917 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.206 9.020 6.939 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.377 12.019 5.714 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.802 11.536 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.157 11.133 5.545 1.00 0.00 H new ATOM 1204 N PHE A 76 0.108 8.632 2.250 1.00 0.00 N ATOM 1205 CA PHE A 76 0.199 8.652 0.800 1.00 0.00 C ATOM 1206 C PHE A 76 0.485 10.065 0.287 1.00 0.00 C ATOM 1207 O PHE A 76 0.385 11.034 1.039 1.00 0.00 O ATOM 1208 CB PHE A 76 -1.156 8.190 0.260 1.00 0.00 C ATOM 1209 CG PHE A 76 -1.319 6.670 0.205 1.00 0.00 C ATOM 1210 CD1 PHE A 76 -0.764 5.963 -0.816 1.00 0.00 C ATOM 1211 CD2 PHE A 76 -2.018 6.026 1.177 1.00 0.00 C ATOM 1212 CE1 PHE A 76 -0.915 4.552 -0.867 1.00 0.00 C ATOM 1213 CE2 PHE A 76 -2.169 4.615 1.126 1.00 0.00 C ATOM 1214 CZ PHE A 76 -1.615 3.908 0.105 1.00 0.00 C ATOM 0 H PHE A 76 -0.827 8.452 2.616 1.00 0.00 H new ATOM 0 HA PHE A 76 1.011 8.004 0.470 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.946 8.607 0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.294 8.596 -0.742 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.208 6.475 -1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.458 6.587 1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.474 3.990 -1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.724 4.103 1.898 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.731 2.835 0.066 1.00 0.00 H new ATOM 1224 N SER A 77 0.834 10.138 -0.989 1.00 0.00 N ATOM 1225 CA SER A 77 1.134 11.417 -1.610 1.00 0.00 C ATOM 1226 C SER A 77 -0.164 12.142 -1.970 1.00 0.00 C ATOM 1227 O SER A 77 -0.337 13.314 -1.641 1.00 0.00 O ATOM 1228 CB SER A 77 2.002 11.233 -2.857 1.00 0.00 C ATOM 1229 OG SER A 77 2.822 12.371 -3.109 1.00 0.00 O ATOM 0 H SER A 77 0.916 9.333 -1.610 1.00 0.00 H new ATOM 0 HA SER A 77 1.694 12.021 -0.896 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.632 10.352 -2.733 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.362 11.049 -3.720 1.00 0.00 H new ATOM 0 HG SER A 77 3.362 12.214 -3.912 1.00 0.00 H new ATOM 1235 N SER A 78 -1.045 11.414 -2.641 1.00 0.00 N ATOM 1236 CA SER A 78 -2.322 11.973 -3.049 1.00 0.00 C ATOM 1237 C SER A 78 -3.464 11.242 -2.339 1.00 0.00 C ATOM 1238 O SER A 78 -3.235 10.256 -1.641 1.00 0.00 O ATOM 1239 CB SER A 78 -2.501 11.889 -4.567 1.00 0.00 C ATOM 1240 OG SER A 78 -3.142 13.047 -5.094 1.00 0.00 O ATOM 0 H SER A 78 -0.899 10.442 -2.912 1.00 0.00 H new ATOM 0 HA SER A 78 -2.341 13.025 -2.766 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.527 11.767 -5.041 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.089 11.005 -4.814 1.00 0.00 H new ATOM 0 HG SER A 78 -3.236 12.955 -6.065 1.00 0.00 H new ATOM 1246 N MET A 79 -4.669 11.755 -2.542 1.00 0.00 N ATOM 1247 CA MET A 79 -5.846 11.164 -1.930 1.00 0.00 C ATOM 1248 C MET A 79 -6.367 9.991 -2.764 1.00 0.00 C ATOM 1249 O MET A 79 -7.136 9.167 -2.270 1.00 0.00 O ATOM 1250 CB MET A 79 -6.941 12.224 -1.800 1.00 0.00 C ATOM 1251 CG MET A 79 -7.793 11.983 -0.553 1.00 0.00 C ATOM 1252 SD MET A 79 -7.351 13.149 0.724 1.00 0.00 S ATOM 1253 CE MET A 79 -8.168 12.400 2.124 1.00 0.00 C ATOM 0 H MET A 79 -4.855 12.573 -3.122 1.00 0.00 H new ATOM 0 HA MET A 79 -5.571 10.791 -0.944 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.489 13.215 -1.750 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.575 12.208 -2.687 1.00 0.00 H new ATOM 0 HG2 MET A 79 -8.850 12.085 -0.800 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.646 10.965 -0.194 1.00 0.00 H new ATOM 0 HE1 MET A 79 -7.993 13.005 3.014 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.239 12.340 1.931 1.00 0.00 H new ATOM 0 HE3 MET A 79 -7.771 11.397 2.283 1.00 0.00 H new ATOM 1263 N ALA A 80 -5.928 9.953 -4.013 1.00 0.00 N ATOM 1264 CA ALA A 80 -6.340 8.895 -4.920 1.00 0.00 C ATOM 1265 C ALA A 80 -5.706 7.575 -4.478 1.00 0.00 C ATOM 1266 O ALA A 80 -6.411 6.620 -4.155 1.00 0.00 O ATOM 1267 CB ALA A 80 -5.961 9.274 -6.353 1.00 0.00 C ATOM 0 H ALA A 80 -5.291 10.638 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.422 8.766 -4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.270 8.480 -7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.461 10.203 -6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.882 9.409 -6.420 1.00 0.00 H new ATOM 1273 N GLU A 81 -4.381 7.563 -4.478 1.00 0.00 N ATOM 1274 CA GLU A 81 -3.643 6.376 -4.081 1.00 0.00 C ATOM 1275 C GLU A 81 -4.234 5.788 -2.798 1.00 0.00 C ATOM 1276 O GLU A 81 -4.709 4.653 -2.792 1.00 0.00 O ATOM 1277 CB GLU A 81 -2.156 6.687 -3.907 1.00 0.00 C ATOM 1278 CG GLU A 81 -1.565 7.277 -5.189 1.00 0.00 C ATOM 1279 CD GLU A 81 -0.875 8.614 -4.910 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -1.307 9.286 -3.948 1.00 0.00 O ATOM 1281 OE2 GLU A 81 0.068 8.935 -5.665 1.00 0.00 O ATOM 0 H GLU A 81 -3.799 8.357 -4.747 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.734 5.634 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.022 7.389 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.619 5.777 -3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.849 6.577 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.355 7.418 -5.926 1.00 0.00 H new ATOM 1288 N VAL A 82 -4.187 6.586 -1.742 1.00 0.00 N ATOM 1289 CA VAL A 82 -4.711 6.159 -0.456 1.00 0.00 C ATOM 1290 C VAL A 82 -6.095 5.537 -0.656 1.00 0.00 C ATOM 1291 O VAL A 82 -6.365 4.444 -0.161 1.00 0.00 O ATOM 1292 CB VAL A 82 -4.721 7.336 0.522 1.00 0.00 C ATOM 1293 CG1 VAL A 82 -5.493 8.523 -0.056 1.00 0.00 C ATOM 1294 CG2 VAL A 82 -5.293 6.917 1.878 1.00 0.00 C ATOM 0 H VAL A 82 -3.794 7.527 -1.751 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.070 5.394 -0.017 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.689 7.652 0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.485 9.346 0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.023 8.845 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.523 8.225 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.289 7.772 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.315 6.562 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.683 6.118 2.299 1.00 0.00 H new ATOM 1304 N ASP A 83 -6.934 6.260 -1.383 1.00 0.00 N ATOM 1305 CA ASP A 83 -8.283 5.792 -1.654 1.00 0.00 C ATOM 1306 C ASP A 83 -8.220 4.383 -2.246 1.00 0.00 C ATOM 1307 O ASP A 83 -9.106 3.564 -2.004 1.00 0.00 O ATOM 1308 CB ASP A 83 -8.987 6.699 -2.665 1.00 0.00 C ATOM 1309 CG ASP A 83 -10.208 7.446 -2.124 1.00 0.00 C ATOM 1310 OD1 ASP A 83 -11.292 6.824 -2.106 1.00 0.00 O ATOM 1311 OD2 ASP A 83 -10.029 8.622 -1.741 1.00 0.00 O ATOM 0 H ASP A 83 -6.706 7.166 -1.793 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.838 5.799 -0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.269 7.429 -3.037 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.298 6.095 -3.517 1.00 0.00 H new ATOM 1316 N ALA A 84 -7.164 4.143 -3.009 1.00 0.00 N ATOM 1317 CA ALA A 84 -6.974 2.846 -3.637 1.00 0.00 C ATOM 1318 C ALA A 84 -6.739 1.790 -2.556 1.00 0.00 C ATOM 1319 O ALA A 84 -7.535 0.865 -2.403 1.00 0.00 O ATOM 1320 CB ALA A 84 -5.817 2.927 -4.635 1.00 0.00 C ATOM 0 H ALA A 84 -6.431 4.824 -3.207 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.865 2.555 -4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.674 1.955 -5.106 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -6.047 3.670 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.905 3.214 -4.112 1.00 0.00 H new ATOM 1326 N ALA A 85 -5.642 1.963 -1.833 1.00 0.00 N ATOM 1327 CA ALA A 85 -5.292 1.037 -0.770 1.00 0.00 C ATOM 1328 C ALA A 85 -6.546 0.695 0.037 1.00 0.00 C ATOM 1329 O ALA A 85 -6.806 -0.472 0.323 1.00 0.00 O ATOM 1330 CB ALA A 85 -4.189 1.647 0.097 1.00 0.00 C ATOM 0 H ALA A 85 -4.984 2.731 -1.963 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.903 0.107 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.927 0.952 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.310 1.843 -0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.543 2.581 0.532 1.00 0.00 H new ATOM 1336 N MET A 86 -7.290 1.736 0.382 1.00 0.00 N ATOM 1337 CA MET A 86 -8.511 1.561 1.150 1.00 0.00 C ATOM 1338 C MET A 86 -9.424 0.520 0.499 1.00 0.00 C ATOM 1339 O MET A 86 -9.965 -0.349 1.181 1.00 0.00 O ATOM 1340 CB MET A 86 -9.248 2.898 1.248 1.00 0.00 C ATOM 1341 CG MET A 86 -8.441 3.912 2.061 1.00 0.00 C ATOM 1342 SD MET A 86 -9.343 4.373 3.531 1.00 0.00 S ATOM 1343 CE MET A 86 -8.985 2.966 4.569 1.00 0.00 C ATOM 0 H MET A 86 -7.071 2.703 0.144 1.00 0.00 H new ATOM 0 HA MET A 86 -8.244 1.209 2.147 1.00 0.00 H new ATOM 0 HB2 MET A 86 -9.430 3.291 0.248 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.222 2.747 1.713 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.476 3.485 2.335 1.00 0.00 H new ATOM 0 HG3 MET A 86 -8.238 4.796 1.457 1.00 0.00 H new ATOM 0 HE1 MET A 86 -9.918 2.492 4.873 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.378 2.250 4.015 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.440 3.296 5.454 1.00 0.00 H new ATOM 1353 N ALA A 87 -9.568 0.644 -0.812 1.00 0.00 N ATOM 1354 CA ALA A 87 -10.407 -0.275 -1.562 1.00 0.00 C ATOM 1355 C ALA A 87 -9.520 -1.260 -2.326 1.00 0.00 C ATOM 1356 O ALA A 87 -9.691 -1.450 -3.530 1.00 0.00 O ATOM 1357 CB ALA A 87 -11.331 0.517 -2.489 1.00 0.00 C ATOM 0 H ALA A 87 -9.118 1.367 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.039 -0.854 -0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.960 -0.173 -3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.960 1.180 -1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.732 1.108 -3.181 1.00 0.00 H new ATOM 1363 N ALA A 88 -8.592 -1.861 -1.596 1.00 0.00 N ATOM 1364 CA ALA A 88 -7.677 -2.821 -2.190 1.00 0.00 C ATOM 1365 C ALA A 88 -7.493 -4.002 -1.235 1.00 0.00 C ATOM 1366 O ALA A 88 -6.435 -4.629 -1.214 1.00 0.00 O ATOM 1367 CB ALA A 88 -6.354 -2.129 -2.523 1.00 0.00 C ATOM 0 H ALA A 88 -8.454 -1.702 -0.598 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.084 -3.211 -3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.668 -2.850 -2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.535 -1.317 -3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.914 -1.726 -1.611 1.00 0.00 H new ATOM 1373 N ARG A 89 -8.539 -4.269 -0.467 1.00 0.00 N ATOM 1374 CA ARG A 89 -8.506 -5.363 0.489 1.00 0.00 C ATOM 1375 C ARG A 89 -8.984 -6.659 -0.171 1.00 0.00 C ATOM 1376 O ARG A 89 -9.645 -6.624 -1.208 1.00 0.00 O ATOM 1377 CB ARG A 89 -9.388 -5.062 1.702 1.00 0.00 C ATOM 1378 CG ARG A 89 -8.551 -4.540 2.872 1.00 0.00 C ATOM 1379 CD ARG A 89 -9.309 -4.679 4.194 1.00 0.00 C ATOM 1380 NE ARG A 89 -10.025 -3.421 4.500 1.00 0.00 N ATOM 1381 CZ ARG A 89 -10.829 -3.253 5.560 1.00 0.00 C ATOM 1382 NH1 ARG A 89 -11.023 -4.263 6.420 1.00 0.00 N ATOM 1383 NH2 ARG A 89 -11.438 -2.077 5.759 1.00 0.00 N ATOM 0 H ARG A 89 -9.415 -3.747 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.475 -5.480 0.824 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.143 -4.324 1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.918 -5.965 2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.613 -5.092 2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.296 -3.494 2.703 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.018 -5.505 4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -8.613 -4.916 4.999 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.899 -2.633 3.865 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -10.559 -5.159 6.268 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.634 -4.136 7.226 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.290 -1.309 5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.050 -1.949 6.565 1.00 0.00 H new ATOM 1397 N PRO A 90 -8.623 -7.800 0.474 1.00 0.00 N ATOM 1398 CA PRO A 90 -7.840 -7.752 1.697 1.00 0.00 C ATOM 1399 C PRO A 90 -6.377 -7.416 1.399 1.00 0.00 C ATOM 1400 O PRO A 90 -6.024 -7.124 0.258 1.00 0.00 O ATOM 1401 CB PRO A 90 -8.017 -9.122 2.332 1.00 0.00 C ATOM 1402 CG PRO A 90 -8.507 -10.036 1.220 1.00 0.00 C ATOM 1403 CD PRO A 90 -8.948 -9.161 0.058 1.00 0.00 C ATOM 0 HA PRO A 90 -8.170 -6.967 2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.077 -9.484 2.749 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -8.735 -9.083 3.151 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.714 -10.715 0.907 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.335 -10.652 1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.426 -9.430 -0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.015 -9.271 -0.138 1.00 0.00 H new ATOM 1411 N HIS A 91 -5.566 -7.468 2.446 1.00 0.00 N ATOM 1412 CA HIS A 91 -4.150 -7.172 2.311 1.00 0.00 C ATOM 1413 C HIS A 91 -3.329 -8.297 2.945 1.00 0.00 C ATOM 1414 O HIS A 91 -3.515 -8.622 4.116 1.00 0.00 O ATOM 1415 CB HIS A 91 -3.824 -5.797 2.896 1.00 0.00 C ATOM 1416 CG HIS A 91 -4.090 -4.649 1.952 1.00 0.00 C ATOM 1417 ND1 HIS A 91 -4.045 -3.324 2.351 1.00 0.00 N ATOM 1418 CD2 HIS A 91 -4.404 -4.641 0.625 1.00 0.00 C ATOM 1419 CE1 HIS A 91 -4.322 -2.562 1.303 1.00 0.00 C ATOM 1420 NE2 HIS A 91 -4.544 -3.380 0.235 1.00 0.00 N ATOM 0 H HIS A 91 -5.863 -7.711 3.391 1.00 0.00 H new ATOM 0 HA HIS A 91 -3.883 -7.125 1.255 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -4.410 -5.651 3.803 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -2.774 -5.778 3.188 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -4.519 -5.513 -0.002 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -4.364 -1.483 1.296 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.779 -3.073 -0.709 1.00 0.00 H new ATOM 1428 N SER A 92 -2.437 -8.859 2.142 1.00 0.00 N ATOM 1429 CA SER A 92 -1.586 -9.940 2.610 1.00 0.00 C ATOM 1430 C SER A 92 -0.124 -9.490 2.618 1.00 0.00 C ATOM 1431 O SER A 92 0.447 -9.203 1.567 1.00 0.00 O ATOM 1432 CB SER A 92 -1.752 -11.188 1.740 1.00 0.00 C ATOM 1433 OG SER A 92 -1.735 -10.875 0.350 1.00 0.00 O ATOM 0 H SER A 92 -2.285 -8.586 1.171 1.00 0.00 H new ATOM 0 HA SER A 92 -1.886 -10.195 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.952 -11.894 1.963 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.691 -11.681 1.989 1.00 0.00 H new ATOM 0 HG SER A 92 -0.993 -10.263 0.162 1.00 0.00 H new ATOM 1439 N ILE A 93 0.440 -9.441 3.816 1.00 0.00 N ATOM 1440 CA ILE A 93 1.825 -9.030 3.975 1.00 0.00 C ATOM 1441 C ILE A 93 2.516 -9.959 4.975 1.00 0.00 C ATOM 1442 O ILE A 93 1.914 -10.369 5.965 1.00 0.00 O ATOM 1443 CB ILE A 93 1.904 -7.550 4.354 1.00 0.00 C ATOM 1444 CG1 ILE A 93 0.960 -6.711 3.490 1.00 0.00 C ATOM 1445 CG2 ILE A 93 3.346 -7.043 4.286 1.00 0.00 C ATOM 1446 CD1 ILE A 93 1.133 -5.218 3.779 1.00 0.00 C ATOM 0 H ILE A 93 -0.037 -9.679 4.686 1.00 0.00 H new ATOM 0 HA ILE A 93 2.361 -9.122 3.031 1.00 0.00 H new ATOM 0 HB ILE A 93 1.574 -7.444 5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.156 -6.906 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.072 -7.005 3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.374 -5.988 4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.965 -7.614 4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.727 -7.165 3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.451 -4.645 3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.912 -5.023 4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.160 -4.922 3.563 1.00 0.00 H new ATOM 1458 N ASP A 94 3.772 -10.263 4.680 1.00 0.00 N ATOM 1459 CA ASP A 94 4.552 -11.136 5.541 1.00 0.00 C ATOM 1460 C ASP A 94 3.941 -12.539 5.526 1.00 0.00 C ATOM 1461 O ASP A 94 4.243 -13.360 6.390 1.00 0.00 O ATOM 1462 CB ASP A 94 4.546 -10.633 6.986 1.00 0.00 C ATOM 1463 CG ASP A 94 5.873 -10.790 7.731 1.00 0.00 C ATOM 1464 OD1 ASP A 94 6.919 -10.653 7.061 1.00 0.00 O ATOM 1465 OD2 ASP A 94 5.811 -11.044 8.953 1.00 0.00 O ATOM 0 H ASP A 94 4.268 -9.920 3.857 1.00 0.00 H new ATOM 0 HA ASP A 94 5.576 -11.150 5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.269 -9.579 6.987 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.772 -11.167 7.537 1.00 0.00 H new ATOM 1470 N GLY A 95 3.094 -12.770 4.534 1.00 0.00 N ATOM 1471 CA GLY A 95 2.438 -14.059 4.395 1.00 0.00 C ATOM 1472 C GLY A 95 1.202 -14.145 5.293 1.00 0.00 C ATOM 1473 O GLY A 95 0.572 -15.197 5.389 1.00 0.00 O ATOM 0 H GLY A 95 2.847 -12.086 3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 95 2.148 -14.213 3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.136 -14.856 4.653 1.00 0.00 H new ATOM 1477 N ARG A 96 0.893 -13.025 5.929 1.00 0.00 N ATOM 1478 CA ARG A 96 -0.256 -12.961 6.817 1.00 0.00 C ATOM 1479 C ARG A 96 -1.316 -12.016 6.245 1.00 0.00 C ATOM 1480 O ARG A 96 -1.056 -11.296 5.283 1.00 0.00 O ATOM 1481 CB ARG A 96 0.151 -12.477 8.210 1.00 0.00 C ATOM 1482 CG ARG A 96 0.585 -11.010 8.176 1.00 0.00 C ATOM 1483 CD ARG A 96 0.145 -10.278 9.446 1.00 0.00 C ATOM 1484 NE ARG A 96 -1.327 -10.340 9.581 1.00 0.00 N ATOM 1485 CZ ARG A 96 -1.975 -11.229 10.346 1.00 0.00 C ATOM 1486 NH1 ARG A 96 -1.284 -12.137 11.049 1.00 0.00 N ATOM 1487 NH2 ARG A 96 -3.313 -11.210 10.409 1.00 0.00 N ATOM 0 H ARG A 96 1.418 -12.154 5.847 1.00 0.00 H new ATOM 0 HA ARG A 96 -0.668 -13.967 6.901 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.685 -12.597 8.899 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.967 -13.093 8.589 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.669 -10.950 8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.155 -10.520 7.302 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.618 -10.729 10.318 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.472 -9.239 9.408 1.00 0.00 H new ATOM 0 HE ARG A 96 -1.884 -9.663 9.059 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.265 -12.151 11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.777 -12.814 11.631 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.839 -10.519 9.874 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.806 -11.887 10.991 1.00 0.00 H new ATOM 1501 N VAL A 97 -2.487 -12.050 6.863 1.00 0.00 N ATOM 1502 CA VAL A 97 -3.587 -11.206 6.429 1.00 0.00 C ATOM 1503 C VAL A 97 -3.653 -9.963 7.318 1.00 0.00 C ATOM 1504 O VAL A 97 -4.201 -10.010 8.418 1.00 0.00 O ATOM 1505 CB VAL A 97 -4.891 -12.007 6.423 1.00 0.00 C ATOM 1506 CG1 VAL A 97 -6.066 -11.140 5.968 1.00 0.00 C ATOM 1507 CG2 VAL A 97 -4.762 -13.258 5.552 1.00 0.00 C ATOM 0 H VAL A 97 -2.698 -12.649 7.661 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.426 -10.865 5.406 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.090 -12.330 7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.980 -11.734 5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.179 -10.295 6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.878 -10.772 4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.702 -13.809 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.527 -12.966 4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.965 -13.892 5.941 1.00 0.00 H new ATOM 1517 N VAL A 98 -3.086 -8.879 6.808 1.00 0.00 N ATOM 1518 CA VAL A 98 -3.074 -7.625 7.542 1.00 0.00 C ATOM 1519 C VAL A 98 -4.466 -6.994 7.489 1.00 0.00 C ATOM 1520 O VAL A 98 -5.405 -7.596 6.970 1.00 0.00 O ATOM 1521 CB VAL A 98 -1.980 -6.708 6.992 1.00 0.00 C ATOM 1522 CG1 VAL A 98 -0.679 -7.481 6.763 1.00 0.00 C ATOM 1523 CG2 VAL A 98 -2.439 -6.016 5.707 1.00 0.00 C ATOM 0 H VAL A 98 -2.632 -8.843 5.895 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.837 -7.799 8.592 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.785 -5.937 7.737 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.082 -6.805 6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.337 -7.905 7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.854 -8.284 6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.643 -5.370 5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.676 -6.767 4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.326 -5.417 5.913 1.00 0.00 H new ATOM 1533 N GLU A 99 -4.556 -5.789 8.032 1.00 0.00 N ATOM 1534 CA GLU A 99 -5.818 -5.070 8.053 1.00 0.00 C ATOM 1535 C GLU A 99 -5.571 -3.569 8.224 1.00 0.00 C ATOM 1536 O GLU A 99 -5.168 -3.121 9.296 1.00 0.00 O ATOM 1537 CB GLU A 99 -6.735 -5.603 9.155 1.00 0.00 C ATOM 1538 CG GLU A 99 -5.921 -6.174 10.318 1.00 0.00 C ATOM 1539 CD GLU A 99 -6.838 -6.691 11.428 1.00 0.00 C ATOM 1540 OE1 GLU A 99 -7.233 -7.873 11.334 1.00 0.00 O ATOM 1541 OE2 GLU A 99 -7.123 -5.892 12.347 1.00 0.00 O ATOM 0 H GLU A 99 -3.775 -5.292 8.461 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.320 -5.230 7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.379 -4.801 9.516 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.387 -6.376 8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.286 -6.984 9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -5.260 -5.404 10.716 1.00 0.00 H new ATOM 1548 N PRO A 100 -5.830 -2.815 7.122 1.00 0.00 N ATOM 1549 CA PRO A 100 -5.640 -1.375 7.140 1.00 0.00 C ATOM 1550 C PRO A 100 -6.761 -0.684 7.919 1.00 0.00 C ATOM 1551 O PRO A 100 -7.862 -1.220 8.038 1.00 0.00 O ATOM 1552 CB PRO A 100 -5.595 -0.966 5.676 1.00 0.00 C ATOM 1553 CG PRO A 100 -6.222 -2.114 4.903 1.00 0.00 C ATOM 1554 CD PRO A 100 -6.309 -3.312 5.835 1.00 0.00 C ATOM 0 HA PRO A 100 -4.725 -1.078 7.652 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -6.144 -0.039 5.512 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.570 -0.790 5.351 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -7.213 -1.836 4.545 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -5.622 -2.356 4.026 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.331 -3.683 5.909 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.695 -4.138 5.476 1.00 0.00 H new ATOM 1562 N LYS A 101 -6.442 0.497 8.430 1.00 0.00 N ATOM 1563 CA LYS A 101 -7.409 1.267 9.194 1.00 0.00 C ATOM 1564 C LYS A 101 -7.243 2.753 8.868 1.00 0.00 C ATOM 1565 O LYS A 101 -6.200 3.169 8.366 1.00 0.00 O ATOM 1566 CB LYS A 101 -7.289 0.948 10.686 1.00 0.00 C ATOM 1567 CG LYS A 101 -7.138 -0.558 10.914 1.00 0.00 C ATOM 1568 CD LYS A 101 -7.364 -0.915 12.384 1.00 0.00 C ATOM 1569 CE LYS A 101 -7.962 -2.317 12.522 1.00 0.00 C ATOM 1570 NZ LYS A 101 -6.946 -3.346 12.209 1.00 0.00 N ATOM 0 H LYS A 101 -5.528 0.939 8.330 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.425 0.990 8.913 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.430 1.471 11.105 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.172 1.312 11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.852 -1.097 10.291 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.142 -0.878 10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.418 -0.864 12.924 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.031 -0.184 12.841 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.335 -2.462 13.536 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.814 -2.423 11.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.399 -4.282 12.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.513 -3.137 11.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.212 -3.344 12.945 1.00 0.00 H new ATOM 1584 N ARG A 102 -8.287 3.511 9.167 1.00 0.00 N ATOM 1585 CA ARG A 102 -8.270 4.942 8.912 1.00 0.00 C ATOM 1586 C ARG A 102 -7.900 5.704 10.186 1.00 0.00 C ATOM 1587 O ARG A 102 -8.634 5.667 11.171 1.00 0.00 O ATOM 1588 CB ARG A 102 -9.632 5.428 8.413 1.00 0.00 C ATOM 1589 CG ARG A 102 -9.758 5.248 6.898 1.00 0.00 C ATOM 1590 CD ARG A 102 -10.815 6.190 6.320 1.00 0.00 C ATOM 1591 NE ARG A 102 -10.162 7.366 5.703 1.00 0.00 N ATOM 1592 CZ ARG A 102 -10.796 8.257 4.928 1.00 0.00 C ATOM 1593 NH1 ARG A 102 -12.103 8.111 4.670 1.00 0.00 N ATOM 1594 NH2 ARG A 102 -10.122 9.293 4.410 1.00 0.00 N ATOM 0 H ARG A 102 -9.150 3.162 9.583 1.00 0.00 H new ATOM 0 HA ARG A 102 -7.524 5.133 8.141 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -10.426 4.875 8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.763 6.479 8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.796 5.441 6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.023 4.215 6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.414 5.665 5.576 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.496 6.513 7.108 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.167 7.507 5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.615 7.322 5.063 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.585 8.789 4.080 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -9.127 9.403 4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -10.604 9.971 3.820 1.00 0.00 H new ATOM 1608 N ALA A 103 -6.760 6.377 10.124 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.283 7.146 11.260 1.00 0.00 C ATOM 1610 C ALA A 103 -7.445 7.944 11.855 1.00 0.00 C ATOM 1611 O ALA A 103 -7.444 8.257 13.044 1.00 0.00 O ATOM 1612 CB ALA A 103 -5.125 8.044 10.819 1.00 0.00 C ATOM 0 H ALA A 103 -6.153 6.405 9.305 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.904 6.484 12.039 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.767 8.621 11.672 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.314 7.428 10.432 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.468 8.724 10.039 1.00 0.00 H new ATOM 1618 N VAL A 104 -8.410 8.250 11.000 1.00 0.00 N ATOM 1619 CA VAL A 104 -9.576 9.005 11.425 1.00 0.00 C ATOM 1620 C VAL A 104 -10.800 8.087 11.427 1.00 0.00 C ATOM 1621 O VAL A 104 -10.943 7.236 10.550 1.00 0.00 O ATOM 1622 CB VAL A 104 -9.754 10.237 10.537 1.00 0.00 C ATOM 1623 CG1 VAL A 104 -10.692 11.254 11.191 1.00 0.00 C ATOM 1624 CG2 VAL A 104 -8.403 10.873 10.203 1.00 0.00 C ATOM 0 H VAL A 104 -8.408 7.988 10.014 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.443 9.372 12.443 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.211 9.912 9.602 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.801 12.120 10.539 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.668 10.797 11.353 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.276 11.570 12.147 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.559 11.747 9.570 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.906 11.176 11.124 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.781 10.150 9.676 1.00 0.00 H new ATOM 1634 N ALA A 105 -11.651 8.290 12.422 1.00 0.00 N ATOM 1635 CA ALA A 105 -12.858 7.491 12.549 1.00 0.00 C ATOM 1636 C ALA A 105 -12.497 6.116 13.115 1.00 0.00 C ATOM 1637 O ALA A 105 -12.818 5.809 14.262 1.00 0.00 O ATOM 1638 CB ALA A 105 -13.554 7.398 11.190 1.00 0.00 C ATOM 0 H ALA A 105 -11.529 8.996 13.148 1.00 0.00 H new ATOM 0 HA ALA A 105 -13.557 7.959 13.242 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -14.459 6.799 11.285 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -13.816 8.399 10.846 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -12.883 6.930 10.469 1.00 0.00 H new ATOM 1644 N ARG A 106 -11.835 5.325 12.284 1.00 0.00 N ATOM 1645 CA ARG A 106 -11.427 3.990 12.687 1.00 0.00 C ATOM 1646 C ARG A 106 -10.316 4.068 13.736 1.00 0.00 C ATOM 1647 O ARG A 106 -9.176 4.401 13.415 1.00 0.00 O ATOM 1648 CB ARG A 106 -10.930 3.180 11.487 1.00 0.00 C ATOM 1649 CG ARG A 106 -11.743 1.896 11.318 1.00 0.00 C ATOM 1650 CD ARG A 106 -12.866 2.088 10.297 1.00 0.00 C ATOM 1651 NE ARG A 106 -13.961 1.128 10.562 1.00 0.00 N ATOM 1652 CZ ARG A 106 -14.865 0.749 9.648 1.00 0.00 C ATOM 1653 NH1 ARG A 106 -14.810 1.247 8.405 1.00 0.00 N ATOM 1654 NH2 ARG A 106 -15.824 -0.127 9.977 1.00 0.00 N ATOM 0 H ARG A 106 -11.571 5.583 11.333 1.00 0.00 H new ATOM 0 HA ARG A 106 -12.298 3.491 13.112 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -11.003 3.783 10.582 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -9.877 2.933 11.622 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -11.088 1.087 10.996 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -12.166 1.600 12.278 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -13.245 3.108 10.349 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -12.480 1.943 9.288 1.00 0.00 H new ATOM 0 HE ARG A 106 -14.032 0.730 11.499 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -14.080 1.914 8.155 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -15.498 0.959 7.709 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -15.866 -0.506 10.923 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -16.512 -0.415 9.281 1.00 0.00 H new ATOM 1668 N GLU A 107 -10.688 3.756 14.969 1.00 0.00 N ATOM 1669 CA GLU A 107 -9.737 3.787 16.068 1.00 0.00 C ATOM 1670 C GLU A 107 -9.928 2.566 16.970 1.00 0.00 C ATOM 1671 O GLU A 107 -10.986 1.937 16.953 1.00 0.00 O ATOM 1672 CB GLU A 107 -9.866 5.085 16.867 1.00 0.00 C ATOM 1673 CG GLU A 107 -9.396 6.285 16.044 1.00 0.00 C ATOM 1674 CD GLU A 107 -8.605 7.269 16.909 1.00 0.00 C ATOM 1675 OE1 GLU A 107 -7.414 6.981 17.152 1.00 0.00 O ATOM 1676 OE2 GLU A 107 -9.211 8.287 17.309 1.00 0.00 O ATOM 0 H GLU A 107 -11.634 3.481 15.231 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.730 3.753 15.653 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.904 5.230 17.167 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.277 5.013 17.781 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.775 5.942 15.217 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.257 6.790 15.607 1.00 0.00 H new ATOM 1683 N GLU A 108 -8.889 2.267 17.735 1.00 0.00 N ATOM 1684 CA GLU A 108 -8.929 1.133 18.642 1.00 0.00 C ATOM 1685 C GLU A 108 -7.804 1.237 19.673 1.00 0.00 C ATOM 1686 O GLU A 108 -6.757 0.608 19.520 1.00 0.00 O ATOM 1687 CB GLU A 108 -8.848 -0.187 17.873 1.00 0.00 C ATOM 1688 CG GLU A 108 -9.735 -1.254 18.519 1.00 0.00 C ATOM 1689 CD GLU A 108 -10.704 -1.853 17.497 1.00 0.00 C ATOM 1690 OE1 GLU A 108 -10.300 -1.945 16.318 1.00 0.00 O ATOM 1691 OE2 GLU A 108 -11.827 -2.205 17.919 1.00 0.00 O ATOM 0 H GLU A 108 -8.014 2.791 17.745 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.882 1.150 19.171 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.157 -0.029 16.840 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.815 -0.534 17.848 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.112 -2.043 18.941 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.296 -0.815 19.344 1.00 0.00 H new ATOM 1698 N SER A 109 -8.057 2.035 20.699 1.00 0.00 N ATOM 1699 CA SER A 109 -7.077 2.230 21.755 1.00 0.00 C ATOM 1700 C SER A 109 -7.602 3.242 22.775 1.00 0.00 C ATOM 1701 O SER A 109 -8.503 4.023 22.474 1.00 0.00 O ATOM 1702 CB SER A 109 -5.737 2.698 21.184 1.00 0.00 C ATOM 1703 OG SER A 109 -4.634 2.060 21.820 1.00 0.00 O ATOM 0 H SER A 109 -8.926 2.554 20.822 1.00 0.00 H new ATOM 0 HA SER A 109 -6.915 1.273 22.252 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.707 2.492 20.114 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.649 3.778 21.303 1.00 0.00 H new ATOM 0 HG SER A 109 -3.797 2.384 21.426 1.00 0.00 H new ATOM 1709 N GLY A 110 -7.016 3.196 23.963 1.00 0.00 N ATOM 1710 CA GLY A 110 -7.413 4.099 25.029 1.00 0.00 C ATOM 1711 C GLY A 110 -7.292 3.421 26.395 1.00 0.00 C ATOM 1712 O GLY A 110 -7.145 2.203 26.477 1.00 0.00 O ATOM 0 H GLY A 110 -6.269 2.547 24.210 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -6.788 4.992 25.006 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.441 4.425 24.870 1.00 0.00 H new ATOM 1716 N SER A 111 -7.359 4.240 27.435 1.00 0.00 N ATOM 1717 CA SER A 111 -7.259 3.734 28.793 1.00 0.00 C ATOM 1718 C SER A 111 -7.755 4.791 29.783 1.00 0.00 C ATOM 1719 O SER A 111 -6.958 5.537 30.350 1.00 0.00 O ATOM 1720 CB SER A 111 -5.822 3.328 29.126 1.00 0.00 C ATOM 1721 OG SER A 111 -5.760 2.052 29.755 1.00 0.00 O ATOM 0 H SER A 111 -7.481 5.250 27.364 1.00 0.00 H new ATOM 0 HA SER A 111 -7.886 2.846 28.874 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.229 3.310 28.212 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.376 4.077 29.781 1.00 0.00 H new ATOM 0 HG SER A 111 -4.826 1.828 29.950 1.00 0.00 H new ATOM 1727 N GLY A 112 -9.068 4.821 29.959 1.00 0.00 N ATOM 1728 CA GLY A 112 -9.679 5.774 30.870 1.00 0.00 C ATOM 1729 C GLY A 112 -11.201 5.779 30.718 1.00 0.00 C ATOM 1730 O GLY A 112 -11.726 5.390 29.676 1.00 0.00 O ATOM 0 H GLY A 112 -9.725 4.201 29.486 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.413 5.523 31.897 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.287 6.772 30.674 1.00 0.00 H new ATOM 1734 N PRO A 113 -11.885 6.236 31.801 1.00 0.00 N ATOM 1735 CA PRO A 113 -13.337 6.298 31.798 1.00 0.00 C ATOM 1736 C PRO A 113 -13.835 7.467 30.946 1.00 0.00 C ATOM 1737 O PRO A 113 -13.044 8.304 30.512 1.00 0.00 O ATOM 1738 CB PRO A 113 -13.729 6.419 33.261 1.00 0.00 C ATOM 1739 CG PRO A 113 -12.480 6.889 33.989 1.00 0.00 C ATOM 1740 CD PRO A 113 -11.297 6.705 33.052 1.00 0.00 C ATOM 0 HA PRO A 113 -13.794 5.416 31.349 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -14.546 7.129 33.389 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -14.073 5.462 33.654 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -12.578 7.935 34.279 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -12.334 6.317 34.905 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -10.756 7.640 32.909 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -10.585 5.982 33.450 1.00 0.00 H new ATOM 1748 N SER A 114 -15.142 7.488 30.733 1.00 0.00 N ATOM 1749 CA SER A 114 -15.755 8.541 29.941 1.00 0.00 C ATOM 1750 C SER A 114 -17.234 8.678 30.307 1.00 0.00 C ATOM 1751 O SER A 114 -17.675 9.744 30.734 1.00 0.00 O ATOM 1752 CB SER A 114 -15.602 8.264 28.444 1.00 0.00 C ATOM 1753 OG SER A 114 -15.266 9.442 27.715 1.00 0.00 O ATOM 0 H SER A 114 -15.794 6.792 31.095 1.00 0.00 H new ATOM 0 HA SER A 114 -15.244 9.478 30.164 1.00 0.00 H new ATOM 0 HB2 SER A 114 -14.829 7.511 28.292 1.00 0.00 H new ATOM 0 HB3 SER A 114 -16.532 7.850 28.055 1.00 0.00 H new ATOM 0 HG SER A 114 -14.543 9.242 27.085 1.00 0.00 H new ATOM 1759 N SER A 115 -17.959 7.584 30.127 1.00 0.00 N ATOM 1760 CA SER A 115 -19.379 7.569 30.434 1.00 0.00 C ATOM 1761 C SER A 115 -19.591 7.272 31.919 1.00 0.00 C ATOM 1762 O SER A 115 -18.647 6.925 32.628 1.00 0.00 O ATOM 1763 CB SER A 115 -20.116 6.538 29.576 1.00 0.00 C ATOM 1764 OG SER A 115 -19.698 5.207 29.865 1.00 0.00 O ATOM 0 H SER A 115 -17.590 6.702 29.772 1.00 0.00 H new ATOM 0 HA SER A 115 -19.789 8.553 30.205 1.00 0.00 H new ATOM 0 HB2 SER A 115 -21.189 6.626 29.745 1.00 0.00 H new ATOM 0 HB3 SER A 115 -19.941 6.752 28.522 1.00 0.00 H new ATOM 0 HG SER A 115 -20.192 4.579 29.298 1.00 0.00 H new ATOM 1770 N GLY A 116 -20.836 7.420 32.348 1.00 0.00 N ATOM 1771 CA GLY A 116 -21.184 7.172 33.737 1.00 0.00 C ATOM 1772 C GLY A 116 -22.661 6.797 33.874 1.00 0.00 C ATOM 1773 O GLY A 116 -23.057 6.169 34.854 1.00 0.00 O ATOM 0 H GLY A 116 -21.616 7.709 31.758 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -20.563 6.369 34.133 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -20.974 8.061 34.332 1.00 0.00 H new TER 1777 GLY A 116