USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 968 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 97 TYR OH : rot 143:sc= -0.093 USER MOD Set 1.2: A 115 HIS :FLIP no HE2:sc= -0.643 F(o=-1.7,f=-0.74) USER MOD Set 2.1: A 2 LYS NZ :NH3+ -154:sc= 0 (180deg=0) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= -1.25 USER MOD Set 2.3: A 114 LYS NZ :NH3+ -119:sc= -0.0269 (180deg=-0.154) USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00617) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.102 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 56:sc= -1.76! USER MOD Single : A 15 SER OG : rot 180:sc= 0.0709 USER MOD Single : A 16 SER OG : rot 180:sc= -0.416 USER MOD Single : A 18 SER OG : rot -71:sc= 1.14 USER MOD Single : A 27 HIS : no HD1:sc=-0.00146 X(o=-0.0015,f=-0.07) USER MOD Single : A 30 THR OG1 : rot 19:sc= -0.601! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 175:sc= -1.29 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= -0.048 (180deg=-0.386) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.06 K(o=-1.1,f=-9.7!) USER MOD Single : A 68 LYS NZ :NH3+ 131:sc= -0.879 (180deg=-2.65!) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.625 F(o=-1.7,f=-0.63) USER MOD Single : A 71 SER OG : rot 48:sc= 0.0411 USER MOD Single : A 74 SER OG : rot 129:sc= 0.934 USER MOD Single : A 80 THR OG1 : rot -84:sc= 0.984! USER MOD Single : A 82 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.052) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 151:sc=-0.00832 (180deg=-0.365) USER MOD Single : A 93 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0508) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -57:sc= 1.04 USER MOD Single : A 112 THR OG1 : rot -170:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.236 -0.192 17.505 1.00 0.00 N ATOM 2 CA MET A 1 -2.198 0.511 16.708 1.00 0.00 C ATOM 3 C MET A 1 -1.713 -0.355 15.548 1.00 0.00 C ATOM 4 O MET A 1 -2.121 -1.508 15.409 1.00 0.00 O ATOM 5 CB MET A 1 -1.028 0.861 17.629 1.00 0.00 C ATOM 6 CG MET A 1 -1.190 2.196 18.339 1.00 0.00 C ATOM 7 SD MET A 1 0.359 2.808 19.028 1.00 0.00 S ATOM 8 CE MET A 1 0.632 1.630 20.347 1.00 0.00 C ATOM 0 H1 MET A 1 -4.136 0.324 17.435 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.361 -1.157 17.138 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.938 -0.236 18.501 1.00 0.00 H new ATOM 0 HA MET A 1 -2.627 1.419 16.284 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.915 0.074 18.375 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.109 0.880 17.044 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.587 2.930 17.638 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.923 2.091 19.139 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.538 1.897 20.892 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.219 1.643 21.029 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.743 0.631 19.925 1.00 0.00 H new ATOM 20 N LYS A 2 -0.838 0.208 14.721 1.00 0.00 N ATOM 21 CA LYS A 2 -0.296 -0.512 13.575 1.00 0.00 C ATOM 22 C LYS A 2 -1.404 -0.917 12.607 1.00 0.00 C ATOM 23 O LYS A 2 -2.076 -1.929 12.805 1.00 0.00 O ATOM 24 CB LYS A 2 0.468 -1.751 14.041 1.00 0.00 C ATOM 25 CG LYS A 2 1.635 -1.436 14.963 1.00 0.00 C ATOM 26 CD LYS A 2 2.919 -1.214 14.180 1.00 0.00 C ATOM 27 CE LYS A 2 4.145 -1.563 15.009 1.00 0.00 C ATOM 28 NZ LYS A 2 5.283 -2.008 14.160 1.00 0.00 N ATOM 0 H LYS A 2 -0.489 1.161 14.823 1.00 0.00 H new ATOM 0 HA LYS A 2 0.389 0.155 13.052 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.221 -2.420 14.557 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.840 -2.288 13.168 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.407 -0.546 15.550 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.775 -2.255 15.668 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.905 -1.823 13.276 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.977 -0.173 13.863 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.447 -0.694 15.594 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.891 -2.351 15.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.906 -2.630 14.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.919 -2.527 13.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.820 -1.178 13.837 1.00 0.00 H new ATOM 42 N ARG A 3 -1.587 -0.119 11.559 1.00 0.00 N ATOM 43 CA ARG A 3 -2.612 -0.393 10.558 1.00 0.00 C ATOM 44 C ARG A 3 -2.121 -0.007 9.165 1.00 0.00 C ATOM 45 O ARG A 3 -1.655 1.109 8.950 1.00 0.00 O ATOM 46 CB ARG A 3 -3.896 0.369 10.887 1.00 0.00 C ATOM 47 CG ARG A 3 -4.282 0.310 12.357 1.00 0.00 C ATOM 48 CD ARG A 3 -3.752 1.512 13.124 1.00 0.00 C ATOM 49 NE ARG A 3 -4.829 2.284 13.740 1.00 0.00 N ATOM 50 CZ ARG A 3 -4.641 3.166 14.720 1.00 0.00 C ATOM 51 NH1 ARG A 3 -3.423 3.390 15.197 1.00 0.00 N ATOM 52 NH2 ARG A 3 -5.675 3.825 15.224 1.00 0.00 N ATOM 0 H ARG A 3 -1.039 0.722 11.381 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.822 -1.462 10.571 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.774 1.412 10.594 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.712 -0.037 10.289 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.368 0.270 12.447 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.891 -0.606 12.800 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.060 1.174 13.896 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.186 2.153 12.448 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.780 2.139 13.400 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.624 2.885 14.813 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.286 4.067 15.948 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.613 3.656 14.861 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.532 4.501 15.975 1.00 0.00 H new ATOM 66 N VAL A 4 -2.226 -0.940 8.224 1.00 0.00 N ATOM 67 CA VAL A 4 -1.788 -0.695 6.855 1.00 0.00 C ATOM 68 C VAL A 4 -2.936 -0.883 5.867 1.00 0.00 C ATOM 69 O VAL A 4 -3.855 -1.662 6.113 1.00 0.00 O ATOM 70 CB VAL A 4 -0.631 -1.635 6.466 1.00 0.00 C ATOM 71 CG1 VAL A 4 -0.059 -1.253 5.110 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.454 -1.618 7.534 1.00 0.00 C ATOM 0 H VAL A 4 -2.610 -1.871 8.384 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.442 0.338 6.810 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.024 -2.649 6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.757 -1.930 4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.840 -1.324 4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.317 -0.231 5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.263 -2.288 7.242 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.843 -0.605 7.642 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.034 -1.949 8.484 1.00 0.00 H new ATOM 82 N LEU A 5 -2.880 -0.170 4.747 1.00 0.00 N ATOM 83 CA LEU A 5 -3.920 -0.273 3.731 1.00 0.00 C ATOM 84 C LEU A 5 -3.456 -1.158 2.579 1.00 0.00 C ATOM 85 O LEU A 5 -2.319 -1.049 2.120 1.00 0.00 O ATOM 86 CB LEU A 5 -4.305 1.111 3.203 1.00 0.00 C ATOM 87 CG LEU A 5 -5.525 1.133 2.278 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.774 0.701 3.030 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.719 2.519 1.676 1.00 0.00 C ATOM 0 H LEU A 5 -2.129 0.482 4.521 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.798 -0.725 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.499 1.766 4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.453 1.529 2.666 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.350 0.427 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.630 0.723 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.638 -0.311 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.950 1.381 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.591 2.513 1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.870 3.245 2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.835 2.792 1.100 1.00 0.00 H new ATOM 101 N VAL A 6 -4.340 -2.034 2.116 1.00 0.00 N ATOM 102 CA VAL A 6 -4.013 -2.937 1.018 1.00 0.00 C ATOM 103 C VAL A 6 -4.895 -2.679 -0.190 1.00 0.00 C ATOM 104 O VAL A 6 -6.008 -3.195 -0.280 1.00 0.00 O ATOM 105 CB VAL A 6 -4.165 -4.412 1.421 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.519 -5.309 0.381 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.571 -4.659 2.798 1.00 0.00 C ATOM 0 H VAL A 6 -5.286 -2.138 2.482 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.971 -2.740 0.766 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.227 -4.652 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.633 -6.351 0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.000 -5.152 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.459 -5.069 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.690 -5.710 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.511 -4.405 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.085 -4.039 3.533 1.00 0.00 H new ATOM 117 N VAL A 7 -4.394 -1.882 -1.122 1.00 0.00 N ATOM 118 CA VAL A 7 -5.150 -1.571 -2.321 1.00 0.00 C ATOM 119 C VAL A 7 -4.877 -2.585 -3.424 1.00 0.00 C ATOM 120 O VAL A 7 -3.755 -2.703 -3.918 1.00 0.00 O ATOM 121 CB VAL A 7 -4.845 -0.146 -2.832 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.594 0.138 -4.125 1.00 0.00 C ATOM 123 CG2 VAL A 7 -5.193 0.885 -1.768 1.00 0.00 C ATOM 0 H VAL A 7 -3.475 -1.443 -1.070 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.205 -1.621 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.777 -0.078 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.363 1.148 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.290 -0.580 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.666 0.050 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.972 1.884 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.253 0.814 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.603 0.696 -0.871 1.00 0.00 H new ATOM 133 N ASP A 8 -5.920 -3.313 -3.803 1.00 0.00 N ATOM 134 CA ASP A 8 -5.821 -4.321 -4.847 1.00 0.00 C ATOM 135 C ASP A 8 -7.122 -4.370 -5.647 1.00 0.00 C ATOM 136 O ASP A 8 -8.170 -4.748 -5.126 1.00 0.00 O ATOM 137 CB ASP A 8 -5.496 -5.688 -4.225 1.00 0.00 C ATOM 138 CG ASP A 8 -5.865 -6.855 -5.123 1.00 0.00 C ATOM 139 OD1 ASP A 8 -5.606 -6.771 -6.342 1.00 0.00 O ATOM 140 OD2 ASP A 8 -6.413 -7.852 -4.606 1.00 0.00 O ATOM 0 H ASP A 8 -6.851 -3.221 -3.398 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.013 -4.060 -5.531 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.431 -5.734 -4.000 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.026 -5.785 -3.278 1.00 0.00 H new ATOM 145 N ASP A 9 -7.045 -3.964 -6.913 1.00 0.00 N ATOM 146 CA ASP A 9 -8.215 -3.937 -7.788 1.00 0.00 C ATOM 147 C ASP A 9 -8.967 -5.268 -7.766 1.00 0.00 C ATOM 148 O ASP A 9 -9.995 -5.397 -7.102 1.00 0.00 O ATOM 149 CB ASP A 9 -7.791 -3.585 -9.219 1.00 0.00 C ATOM 150 CG ASP A 9 -8.945 -3.646 -10.203 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.490 -4.750 -10.411 1.00 0.00 O ATOM 152 OD2 ASP A 9 -9.302 -2.589 -10.764 1.00 0.00 O ATOM 0 H ASP A 9 -6.182 -3.649 -7.356 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.895 -3.171 -7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.362 -2.583 -9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.008 -4.271 -9.541 1.00 0.00 H new ATOM 157 N GLU A 10 -8.458 -6.247 -8.503 1.00 0.00 N ATOM 158 CA GLU A 10 -9.096 -7.559 -8.571 1.00 0.00 C ATOM 159 C GLU A 10 -8.568 -8.487 -7.483 1.00 0.00 C ATOM 160 O GLU A 10 -7.639 -8.142 -6.754 1.00 0.00 O ATOM 161 CB GLU A 10 -8.872 -8.188 -9.948 1.00 0.00 C ATOM 162 CG GLU A 10 -9.972 -9.151 -10.364 1.00 0.00 C ATOM 163 CD GLU A 10 -9.480 -10.579 -10.491 1.00 0.00 C ATOM 164 OE1 GLU A 10 -8.457 -10.797 -11.172 1.00 0.00 O ATOM 165 OE2 GLU A 10 -10.120 -11.482 -9.909 1.00 0.00 O ATOM 0 H GLU A 10 -7.608 -6.160 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.165 -7.419 -8.411 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.794 -7.395 -10.692 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.919 -8.717 -9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.779 -9.113 -9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.390 -8.829 -11.318 1.00 0.00 H new ATOM 172 N GLU A 11 -9.171 -9.668 -7.379 1.00 0.00 N ATOM 173 CA GLU A 11 -8.769 -10.653 -6.379 1.00 0.00 C ATOM 174 C GLU A 11 -9.126 -10.177 -4.974 1.00 0.00 C ATOM 175 O GLU A 11 -8.549 -9.214 -4.469 1.00 0.00 O ATOM 176 CB GLU A 11 -7.265 -10.930 -6.475 1.00 0.00 C ATOM 177 CG GLU A 11 -6.931 -12.382 -6.775 1.00 0.00 C ATOM 178 CD GLU A 11 -6.083 -13.023 -5.692 1.00 0.00 C ATOM 179 OE1 GLU A 11 -6.215 -12.618 -4.518 1.00 0.00 O ATOM 180 OE2 GLU A 11 -5.289 -13.928 -6.020 1.00 0.00 O ATOM 0 H GLU A 11 -9.942 -9.967 -7.977 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.311 -11.578 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.837 -10.299 -7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.791 -10.643 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.856 -12.947 -6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.403 -12.440 -7.727 1.00 0.00 H new ATOM 187 N SER A 12 -10.078 -10.861 -4.346 1.00 0.00 N ATOM 188 CA SER A 12 -10.510 -10.511 -2.996 1.00 0.00 C ATOM 189 C SER A 12 -9.319 -10.448 -2.045 1.00 0.00 C ATOM 190 O SER A 12 -8.871 -11.472 -1.530 1.00 0.00 O ATOM 191 CB SER A 12 -11.533 -11.526 -2.484 1.00 0.00 C ATOM 192 OG SER A 12 -11.805 -11.329 -1.108 1.00 0.00 O ATOM 0 H SER A 12 -10.565 -11.661 -4.750 1.00 0.00 H new ATOM 0 HA SER A 12 -10.976 -9.526 -3.034 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.456 -11.436 -3.056 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.157 -12.537 -2.642 1.00 0.00 H new ATOM 0 HG SER A 12 -12.463 -11.990 -0.807 1.00 0.00 H new ATOM 198 N ILE A 13 -8.803 -9.240 -1.832 1.00 0.00 N ATOM 199 CA ILE A 13 -7.663 -9.029 -0.965 1.00 0.00 C ATOM 200 C ILE A 13 -6.420 -9.674 -1.556 1.00 0.00 C ATOM 201 O ILE A 13 -6.501 -10.490 -2.475 1.00 0.00 O ATOM 202 CB ILE A 13 -7.922 -9.616 0.424 1.00 0.00 C ATOM 203 CG1 ILE A 13 -9.209 -9.043 1.016 1.00 0.00 C ATOM 204 CG2 ILE A 13 -6.740 -9.388 1.365 1.00 0.00 C ATOM 205 CD1 ILE A 13 -9.103 -7.582 1.391 1.00 0.00 C ATOM 0 H ILE A 13 -9.167 -8.387 -2.257 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.506 -7.954 -0.875 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.041 -10.693 0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.018 -9.167 0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.480 -9.618 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.963 -9.819 2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.850 -9.864 0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.562 -8.318 1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.053 -7.243 1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.317 -7.453 2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.863 -6.995 0.504 1.00 0.00 H new ATOM 217 N THR A 14 -5.276 -9.308 -1.014 1.00 0.00 N ATOM 218 CA THR A 14 -4.006 -9.846 -1.464 1.00 0.00 C ATOM 219 C THR A 14 -3.662 -11.098 -0.662 1.00 0.00 C ATOM 220 O THR A 14 -3.232 -11.016 0.485 1.00 0.00 O ATOM 221 CB THR A 14 -2.907 -8.787 -1.329 1.00 0.00 C ATOM 222 OG1 THR A 14 -2.387 -8.762 -0.013 1.00 0.00 O ATOM 223 CG2 THR A 14 -3.385 -7.384 -1.661 1.00 0.00 C ATOM 0 H THR A 14 -5.199 -8.633 -0.253 1.00 0.00 H new ATOM 0 HA THR A 14 -4.083 -10.121 -2.516 1.00 0.00 H new ATOM 0 HB THR A 14 -2.140 -9.076 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.073 -9.657 0.232 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.559 -6.682 -1.546 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.745 -7.356 -2.690 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.195 -7.106 -0.986 1.00 0.00 H new ATOM 231 N SER A 15 -3.885 -12.259 -1.268 1.00 0.00 N ATOM 232 CA SER A 15 -3.629 -13.541 -0.613 1.00 0.00 C ATOM 233 C SER A 15 -2.312 -13.543 0.162 1.00 0.00 C ATOM 234 O SER A 15 -1.309 -12.994 -0.295 1.00 0.00 O ATOM 235 CB SER A 15 -3.618 -14.667 -1.648 1.00 0.00 C ATOM 236 OG SER A 15 -4.462 -14.361 -2.744 1.00 0.00 O ATOM 0 H SER A 15 -4.245 -12.341 -2.219 1.00 0.00 H new ATOM 0 HA SER A 15 -4.434 -13.703 0.104 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.600 -14.829 -2.003 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.945 -15.597 -1.182 1.00 0.00 H new ATOM 0 HG SER A 15 -4.436 -15.096 -3.392 1.00 0.00 H new ATOM 242 N SER A 16 -2.331 -14.185 1.333 1.00 0.00 N ATOM 243 CA SER A 16 -1.150 -14.301 2.194 1.00 0.00 C ATOM 244 C SER A 16 -0.974 -13.094 3.117 1.00 0.00 C ATOM 245 O SER A 16 -0.243 -13.174 4.102 1.00 0.00 O ATOM 246 CB SER A 16 0.119 -14.500 1.357 1.00 0.00 C ATOM 247 OG SER A 16 -0.127 -15.353 0.252 1.00 0.00 O ATOM 0 H SER A 16 -3.163 -14.638 1.711 1.00 0.00 H new ATOM 0 HA SER A 16 -1.313 -15.177 2.822 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.479 -13.534 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.906 -14.925 1.980 1.00 0.00 H new ATOM 0 HG SER A 16 0.697 -15.462 -0.267 1.00 0.00 H new ATOM 253 N LEU A 17 -1.633 -11.980 2.808 1.00 0.00 N ATOM 254 CA LEU A 17 -1.507 -10.786 3.640 1.00 0.00 C ATOM 255 C LEU A 17 -2.206 -10.978 4.985 1.00 0.00 C ATOM 256 O LEU A 17 -1.601 -10.790 6.042 1.00 0.00 O ATOM 257 CB LEU A 17 -2.089 -9.555 2.922 1.00 0.00 C ATOM 258 CG LEU A 17 -1.185 -8.304 2.847 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.888 -7.096 3.434 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.152 -8.517 3.544 1.00 0.00 C ATOM 0 H LEU A 17 -2.250 -11.879 2.002 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.445 -10.621 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.351 -9.847 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.016 -9.276 3.423 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.983 -8.124 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.233 -6.227 3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.804 -6.901 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.133 -7.290 4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.752 -7.611 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.019 -8.748 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.681 -9.345 3.072 1.00 0.00 H new ATOM 272 N SER A 18 -3.484 -11.343 4.936 1.00 0.00 N ATOM 273 CA SER A 18 -4.278 -11.553 6.146 1.00 0.00 C ATOM 274 C SER A 18 -3.512 -12.365 7.190 1.00 0.00 C ATOM 275 O SER A 18 -3.159 -11.853 8.252 1.00 0.00 O ATOM 276 CB SER A 18 -5.590 -12.259 5.800 1.00 0.00 C ATOM 277 OG SER A 18 -6.662 -11.749 6.572 1.00 0.00 O ATOM 0 H SER A 18 -3.995 -11.500 4.068 1.00 0.00 H new ATOM 0 HA SER A 18 -4.493 -10.574 6.573 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.808 -12.130 4.740 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.488 -13.330 5.976 1.00 0.00 H new ATOM 0 HG SER A 18 -6.559 -12.035 7.504 1.00 0.00 H new ATOM 283 N ALA A 19 -3.263 -13.634 6.879 1.00 0.00 N ATOM 284 CA ALA A 19 -2.544 -14.523 7.789 1.00 0.00 C ATOM 285 C ALA A 19 -1.265 -13.873 8.312 1.00 0.00 C ATOM 286 O ALA A 19 -0.921 -14.009 9.486 1.00 0.00 O ATOM 287 CB ALA A 19 -2.218 -15.833 7.089 1.00 0.00 C ATOM 0 H ALA A 19 -3.549 -14.071 6.003 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.190 -14.722 8.644 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.682 -16.489 7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.142 -16.316 6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.595 -15.634 6.217 1.00 0.00 H new ATOM 293 N ILE A 20 -0.566 -13.172 7.428 1.00 0.00 N ATOM 294 CA ILE A 20 0.678 -12.502 7.789 1.00 0.00 C ATOM 295 C ILE A 20 0.439 -11.395 8.810 1.00 0.00 C ATOM 296 O ILE A 20 0.893 -11.486 9.948 1.00 0.00 O ATOM 297 CB ILE A 20 1.372 -11.927 6.535 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.987 -13.059 5.715 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.434 -10.902 6.910 1.00 0.00 C ATOM 300 CD1 ILE A 20 2.393 -12.643 4.319 1.00 0.00 C ATOM 0 H ILE A 20 -0.840 -13.052 6.453 1.00 0.00 H new ATOM 0 HA ILE A 20 1.331 -13.247 8.244 1.00 0.00 H new ATOM 0 HB ILE A 20 0.620 -11.418 5.932 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.862 -13.443 6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.271 -13.878 5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.903 -10.517 6.005 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.970 -10.081 7.456 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.190 -11.374 7.538 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.822 -13.497 3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.517 -12.287 3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.133 -11.845 4.378 1.00 0.00 H new ATOM 312 N LEU A 21 -0.271 -10.350 8.400 1.00 0.00 N ATOM 313 CA LEU A 21 -0.565 -9.231 9.291 1.00 0.00 C ATOM 314 C LEU A 21 -1.077 -9.725 10.642 1.00 0.00 C ATOM 315 O LEU A 21 -0.880 -9.075 11.668 1.00 0.00 O ATOM 316 CB LEU A 21 -1.598 -8.316 8.647 1.00 0.00 C ATOM 317 CG LEU A 21 -1.233 -7.854 7.239 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.398 -8.059 6.285 1.00 0.00 C ATOM 319 CD2 LEU A 21 -0.791 -6.399 7.261 1.00 0.00 C ATOM 0 H LEU A 21 -0.653 -10.253 7.459 1.00 0.00 H new ATOM 0 HA LEU A 21 0.358 -8.676 9.459 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.555 -8.836 8.610 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.736 -7.440 9.280 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.400 -8.458 6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.115 -7.723 5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.659 -9.117 6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.257 -7.485 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.533 -6.082 6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.602 -5.778 7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.080 -6.293 7.908 1.00 0.00 H new ATOM 331 N GLU A 22 -1.733 -10.881 10.628 1.00 0.00 N ATOM 332 CA GLU A 22 -2.271 -11.470 11.848 1.00 0.00 C ATOM 333 C GLU A 22 -1.153 -11.996 12.743 1.00 0.00 C ATOM 334 O GLU A 22 -1.315 -12.096 13.959 1.00 0.00 O ATOM 335 CB GLU A 22 -3.242 -12.600 11.507 1.00 0.00 C ATOM 336 CG GLU A 22 -4.483 -12.132 10.764 1.00 0.00 C ATOM 337 CD GLU A 22 -5.072 -13.209 9.874 1.00 0.00 C ATOM 338 OE1 GLU A 22 -4.816 -14.402 10.137 1.00 0.00 O ATOM 339 OE2 GLU A 22 -5.790 -12.858 8.914 1.00 0.00 O ATOM 0 H GLU A 22 -1.905 -11.428 9.785 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.806 -10.691 12.391 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.724 -13.342 10.900 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.546 -13.097 12.428 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.234 -11.811 11.486 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.232 -11.262 10.157 1.00 0.00 H new ATOM 346 N GLU A 23 -0.014 -12.326 12.137 1.00 0.00 N ATOM 347 CA GLU A 23 1.125 -12.831 12.879 1.00 0.00 C ATOM 348 C GLU A 23 1.910 -11.675 13.493 1.00 0.00 C ATOM 349 O GLU A 23 2.358 -11.753 14.636 1.00 0.00 O ATOM 350 CB GLU A 23 2.017 -13.656 11.947 1.00 0.00 C ATOM 351 CG GLU A 23 3.388 -13.970 12.516 1.00 0.00 C ATOM 352 CD GLU A 23 3.363 -15.119 13.503 1.00 0.00 C ATOM 353 OE1 GLU A 23 2.521 -15.092 14.425 1.00 0.00 O ATOM 354 OE2 GLU A 23 4.186 -16.048 13.354 1.00 0.00 O ATOM 0 H GLU A 23 0.139 -12.250 11.131 1.00 0.00 H new ATOM 0 HA GLU A 23 0.774 -13.470 13.689 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.510 -14.592 11.712 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.140 -13.116 11.008 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.069 -14.212 11.700 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.784 -13.082 13.009 1.00 0.00 H new ATOM 361 N GLU A 24 2.069 -10.604 12.723 1.00 0.00 N ATOM 362 CA GLU A 24 2.796 -9.432 13.190 1.00 0.00 C ATOM 363 C GLU A 24 1.954 -8.618 14.166 1.00 0.00 C ATOM 364 O GLU A 24 2.483 -7.992 15.085 1.00 0.00 O ATOM 365 CB GLU A 24 3.219 -8.562 12.009 1.00 0.00 C ATOM 366 CG GLU A 24 4.678 -8.735 11.619 1.00 0.00 C ATOM 367 CD GLU A 24 5.005 -10.154 11.194 1.00 0.00 C ATOM 368 OE1 GLU A 24 4.061 -10.947 10.992 1.00 0.00 O ATOM 369 OE2 GLU A 24 6.206 -10.472 11.063 1.00 0.00 O ATOM 0 H GLU A 24 1.704 -10.524 11.774 1.00 0.00 H new ATOM 0 HA GLU A 24 3.688 -9.776 13.713 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.591 -8.799 11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.039 -7.516 12.256 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.916 -8.052 10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.311 -8.457 12.462 1.00 0.00 H new ATOM 376 N GLY A 25 0.641 -8.631 13.961 1.00 0.00 N ATOM 377 CA GLY A 25 -0.252 -7.892 14.827 1.00 0.00 C ATOM 378 C GLY A 25 -0.658 -6.557 14.236 1.00 0.00 C ATOM 379 O GLY A 25 -0.900 -5.593 14.963 1.00 0.00 O ATOM 0 H GLY A 25 0.181 -9.142 13.208 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.144 -8.488 15.018 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.233 -7.728 15.789 1.00 0.00 H new ATOM 383 N TYR A 26 -0.732 -6.500 12.910 1.00 0.00 N ATOM 384 CA TYR A 26 -1.109 -5.275 12.216 1.00 0.00 C ATOM 385 C TYR A 26 -2.621 -5.184 12.054 1.00 0.00 C ATOM 386 O TYR A 26 -3.364 -6.024 12.564 1.00 0.00 O ATOM 387 CB TYR A 26 -0.437 -5.215 10.843 1.00 0.00 C ATOM 388 CG TYR A 26 1.026 -4.840 10.900 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.414 -3.523 11.106 1.00 0.00 C ATOM 390 CD2 TYR A 26 2.017 -5.801 10.750 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.749 -3.173 11.159 1.00 0.00 C ATOM 392 CE2 TYR A 26 3.354 -5.459 10.802 1.00 0.00 C ATOM 393 CZ TYR A 26 3.715 -4.144 11.007 1.00 0.00 C ATOM 394 OH TYR A 26 5.047 -3.800 11.062 1.00 0.00 O ATOM 0 H TYR A 26 -0.535 -7.289 12.294 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.773 -4.430 12.817 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.536 -6.186 10.357 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.965 -4.492 10.221 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.660 -2.760 11.227 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.738 -6.832 10.590 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.034 -2.144 11.319 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.113 -6.218 10.683 1.00 0.00 H new ATOM 0 HH TYR A 26 5.597 -4.601 10.937 1.00 0.00 H new ATOM 404 N HIS A 27 -3.069 -4.160 11.338 1.00 0.00 N ATOM 405 CA HIS A 27 -4.490 -3.952 11.100 1.00 0.00 C ATOM 406 C HIS A 27 -4.735 -3.512 9.661 1.00 0.00 C ATOM 407 O HIS A 27 -4.706 -2.321 9.353 1.00 0.00 O ATOM 408 CB HIS A 27 -5.044 -2.905 12.069 1.00 0.00 C ATOM 409 CG HIS A 27 -6.431 -3.204 12.548 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.401 -3.765 11.745 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.010 -3.017 13.758 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.516 -3.909 12.439 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.305 -3.463 13.663 1.00 0.00 N ATOM 0 H HIS A 27 -2.465 -3.458 10.911 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.006 -4.897 11.268 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.379 -2.832 12.930 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.040 -1.931 11.579 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.540 -2.595 14.634 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.443 -4.322 12.068 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -8.993 -3.451 14.416 1.00 0.00 H new ATOM 422 N PRO A 28 -4.979 -4.474 8.754 1.00 0.00 N ATOM 423 CA PRO A 28 -5.224 -4.179 7.342 1.00 0.00 C ATOM 424 C PRO A 28 -6.632 -3.649 7.101 1.00 0.00 C ATOM 425 O PRO A 28 -7.580 -4.051 7.774 1.00 0.00 O ATOM 426 CB PRO A 28 -5.031 -5.532 6.664 1.00 0.00 C ATOM 427 CG PRO A 28 -5.380 -6.539 7.706 1.00 0.00 C ATOM 428 CD PRO A 28 -5.030 -5.921 9.036 1.00 0.00 C ATOM 0 HA PRO A 28 -4.562 -3.401 6.961 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.674 -5.630 5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.004 -5.659 6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.440 -6.790 7.662 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.826 -7.465 7.551 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.778 -6.154 9.794 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.074 -6.289 9.408 1.00 0.00 H new ATOM 436 N ASP A 29 -6.765 -2.737 6.140 1.00 0.00 N ATOM 437 CA ASP A 29 -8.070 -2.160 5.833 1.00 0.00 C ATOM 438 C ASP A 29 -8.505 -2.412 4.401 1.00 0.00 C ATOM 439 O ASP A 29 -9.620 -2.070 4.019 1.00 0.00 O ATOM 440 CB ASP A 29 -8.092 -0.665 6.140 1.00 0.00 C ATOM 441 CG ASP A 29 -9.499 -0.139 6.344 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.002 -0.217 7.485 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.097 0.351 5.364 1.00 0.00 O ATOM 0 H ASP A 29 -5.997 -2.386 5.568 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.788 -2.666 6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.501 -0.472 7.035 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.619 -0.122 5.322 1.00 0.00 H new ATOM 448 N THR A 30 -7.619 -3.017 3.635 1.00 0.00 N ATOM 449 CA THR A 30 -7.845 -3.360 2.221 1.00 0.00 C ATOM 450 C THR A 30 -8.906 -2.511 1.519 1.00 0.00 C ATOM 451 O THR A 30 -10.063 -2.454 1.932 1.00 0.00 O ATOM 452 CB THR A 30 -8.207 -4.836 2.086 1.00 0.00 C ATOM 453 OG1 THR A 30 -9.558 -5.058 2.453 1.00 0.00 O ATOM 454 CG2 THR A 30 -7.343 -5.745 2.933 1.00 0.00 C ATOM 0 H THR A 30 -6.698 -3.295 3.974 1.00 0.00 H new ATOM 0 HA THR A 30 -6.902 -3.142 1.720 1.00 0.00 H new ATOM 0 HB THR A 30 -8.039 -5.079 1.037 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.047 -4.209 2.428 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.654 -6.780 2.790 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.300 -5.635 2.637 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.452 -5.476 3.984 1.00 0.00 H new ATOM 462 N ALA A 31 -8.494 -1.884 0.423 1.00 0.00 N ATOM 463 CA ALA A 31 -9.386 -1.060 -0.381 1.00 0.00 C ATOM 464 C ALA A 31 -9.254 -1.422 -1.857 1.00 0.00 C ATOM 465 O ALA A 31 -8.169 -1.763 -2.320 1.00 0.00 O ATOM 466 CB ALA A 31 -9.071 0.413 -0.173 1.00 0.00 C ATOM 0 H ALA A 31 -7.539 -1.932 0.069 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.412 -1.248 -0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.745 1.018 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.202 0.668 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.041 0.610 -0.469 1.00 0.00 H new ATOM 472 N LYS A 32 -10.351 -1.346 -2.599 1.00 0.00 N ATOM 473 CA LYS A 32 -10.316 -1.664 -4.024 1.00 0.00 C ATOM 474 C LYS A 32 -9.321 -0.756 -4.736 1.00 0.00 C ATOM 475 O LYS A 32 -8.580 -0.014 -4.092 1.00 0.00 O ATOM 476 CB LYS A 32 -11.708 -1.517 -4.642 1.00 0.00 C ATOM 477 CG LYS A 32 -12.215 -2.781 -5.308 1.00 0.00 C ATOM 478 CD LYS A 32 -13.289 -2.476 -6.339 1.00 0.00 C ATOM 479 CE LYS A 32 -12.725 -2.482 -7.751 1.00 0.00 C ATOM 480 NZ LYS A 32 -13.717 -1.996 -8.748 1.00 0.00 N ATOM 0 H LYS A 32 -11.267 -1.070 -2.245 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.997 -2.699 -4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.412 -1.219 -3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.686 -0.713 -5.377 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.385 -3.298 -5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.616 -3.456 -4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.088 -3.213 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.732 -1.503 -6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.835 -1.854 -7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.413 -3.493 -8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.293 -2.016 -9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.556 -2.610 -8.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.996 -1.022 -8.514 1.00 0.00 H new ATOM 494 N THR A 33 -9.280 -0.831 -6.062 1.00 0.00 N ATOM 495 CA THR A 33 -8.342 -0.027 -6.838 1.00 0.00 C ATOM 496 C THR A 33 -8.365 1.436 -6.408 1.00 0.00 C ATOM 497 O THR A 33 -9.248 1.866 -5.668 1.00 0.00 O ATOM 498 CB THR A 33 -8.665 -0.132 -8.329 1.00 0.00 C ATOM 499 OG1 THR A 33 -9.357 -1.336 -8.611 1.00 0.00 O ATOM 500 CG2 THR A 33 -7.436 -0.092 -9.212 1.00 0.00 C ATOM 0 H THR A 33 -9.882 -1.437 -6.620 1.00 0.00 H new ATOM 0 HA THR A 33 -7.342 -0.418 -6.653 1.00 0.00 H new ATOM 0 HB THR A 33 -9.282 0.739 -8.551 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.630 -1.344 -9.552 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.736 -0.171 -10.257 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.907 0.848 -9.056 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.779 -0.924 -8.959 1.00 0.00 H new ATOM 508 N LEU A 34 -7.360 2.178 -6.871 1.00 0.00 N ATOM 509 CA LEU A 34 -7.200 3.598 -6.548 1.00 0.00 C ATOM 510 C LEU A 34 -8.538 4.303 -6.336 1.00 0.00 C ATOM 511 O LEU A 34 -8.670 5.137 -5.442 1.00 0.00 O ATOM 512 CB LEU A 34 -6.407 4.307 -7.653 1.00 0.00 C ATOM 513 CG LEU A 34 -5.222 3.515 -8.218 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.586 4.257 -9.384 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.197 3.238 -7.126 1.00 0.00 C ATOM 0 H LEU A 34 -6.631 1.812 -7.483 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.651 3.651 -5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.087 4.545 -8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.036 5.254 -7.261 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.592 2.559 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.747 3.678 -9.770 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.325 4.396 -10.173 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.230 5.230 -9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.363 2.675 -7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.831 4.182 -6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.662 2.658 -6.329 1.00 0.00 H new ATOM 527 N ARG A 35 -9.530 3.962 -7.149 1.00 0.00 N ATOM 528 CA ARG A 35 -10.848 4.570 -7.020 1.00 0.00 C ATOM 529 C ARG A 35 -11.396 4.344 -5.613 1.00 0.00 C ATOM 530 O ARG A 35 -11.615 5.293 -4.855 1.00 0.00 O ATOM 531 CB ARG A 35 -11.808 3.991 -8.062 1.00 0.00 C ATOM 532 CG ARG A 35 -12.311 5.019 -9.063 1.00 0.00 C ATOM 533 CD ARG A 35 -12.829 4.359 -10.330 1.00 0.00 C ATOM 534 NE ARG A 35 -14.289 4.340 -10.383 1.00 0.00 N ATOM 535 CZ ARG A 35 -15.042 5.435 -10.460 1.00 0.00 C ATOM 536 NH1 ARG A 35 -14.478 6.636 -10.494 1.00 0.00 N ATOM 537 NH2 ARG A 35 -16.363 5.329 -10.503 1.00 0.00 N ATOM 0 H ARG A 35 -9.449 3.274 -7.898 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.755 5.642 -7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.305 3.188 -8.600 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.662 3.546 -7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.106 5.611 -8.609 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.505 5.708 -9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.442 4.891 -11.199 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.451 3.338 -10.387 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.759 3.435 -10.360 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.462 6.724 -10.461 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.060 7.471 -10.553 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.802 4.409 -10.477 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.940 6.168 -10.562 1.00 0.00 H new ATOM 551 N GLU A 36 -11.603 3.078 -5.269 1.00 0.00 N ATOM 552 CA GLU A 36 -12.114 2.720 -3.954 1.00 0.00 C ATOM 553 C GLU A 36 -11.117 3.098 -2.862 1.00 0.00 C ATOM 554 O GLU A 36 -11.505 3.360 -1.724 1.00 0.00 O ATOM 555 CB GLU A 36 -12.420 1.223 -3.888 1.00 0.00 C ATOM 556 CG GLU A 36 -13.558 0.877 -2.941 1.00 0.00 C ATOM 557 CD GLU A 36 -14.821 0.466 -3.670 1.00 0.00 C ATOM 558 OE1 GLU A 36 -15.156 1.111 -4.686 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.475 -0.500 -3.226 1.00 0.00 O ATOM 0 H GLU A 36 -11.424 2.284 -5.883 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.036 3.276 -3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.669 0.867 -4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.522 0.690 -3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.244 0.067 -2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.773 1.738 -2.308 1.00 0.00 H new ATOM 566 N ALA A 37 -9.831 3.134 -3.211 1.00 0.00 N ATOM 567 CA ALA A 37 -8.800 3.491 -2.245 1.00 0.00 C ATOM 568 C ALA A 37 -8.872 4.974 -1.917 1.00 0.00 C ATOM 569 O ALA A 37 -9.030 5.352 -0.756 1.00 0.00 O ATOM 570 CB ALA A 37 -7.423 3.123 -2.774 1.00 0.00 C ATOM 0 H ALA A 37 -9.484 2.922 -4.146 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.974 2.928 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.666 3.397 -2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.379 2.050 -2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.236 3.658 -3.705 1.00 0.00 H new ATOM 576 N GLU A 38 -8.760 5.814 -2.945 1.00 0.00 N ATOM 577 CA GLU A 38 -8.822 7.258 -2.755 1.00 0.00 C ATOM 578 C GLU A 38 -9.987 7.625 -1.852 1.00 0.00 C ATOM 579 O GLU A 38 -9.857 8.472 -0.972 1.00 0.00 O ATOM 580 CB GLU A 38 -8.952 7.977 -4.098 1.00 0.00 C ATOM 581 CG GLU A 38 -7.694 7.911 -4.946 1.00 0.00 C ATOM 582 CD GLU A 38 -7.959 8.212 -6.409 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.017 8.803 -6.711 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.109 7.857 -7.252 1.00 0.00 O ATOM 0 H GLU A 38 -8.627 5.519 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.894 7.577 -2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.780 7.540 -4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.205 9.022 -3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.963 8.621 -4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.252 6.918 -4.857 1.00 0.00 H new ATOM 591 N LYS A 39 -11.123 6.966 -2.056 1.00 0.00 N ATOM 592 CA LYS A 39 -12.291 7.216 -1.228 1.00 0.00 C ATOM 593 C LYS A 39 -11.966 6.884 0.223 1.00 0.00 C ATOM 594 O LYS A 39 -12.153 7.705 1.120 1.00 0.00 O ATOM 595 CB LYS A 39 -13.479 6.382 -1.709 1.00 0.00 C ATOM 596 CG LYS A 39 -14.748 6.605 -0.901 1.00 0.00 C ATOM 597 CD LYS A 39 -14.884 5.581 0.215 1.00 0.00 C ATOM 598 CE LYS A 39 -16.204 5.735 0.953 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.071 6.608 2.152 1.00 0.00 N ATOM 0 H LYS A 39 -11.257 6.262 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.561 8.269 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.678 6.618 -2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.212 5.326 -1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.739 7.609 -0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.615 6.545 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.813 4.576 -0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.058 5.694 0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.950 6.155 0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.567 4.753 1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.993 6.688 2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.378 6.194 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.750 7.553 1.860 1.00 0.00 H new ATOM 613 N LYS A 40 -11.471 5.668 0.441 1.00 0.00 N ATOM 614 CA LYS A 40 -11.109 5.213 1.778 1.00 0.00 C ATOM 615 C LYS A 40 -10.037 6.111 2.394 1.00 0.00 C ATOM 616 O LYS A 40 -10.032 6.343 3.603 1.00 0.00 O ATOM 617 CB LYS A 40 -10.616 3.768 1.729 1.00 0.00 C ATOM 618 CG LYS A 40 -11.705 2.765 1.384 1.00 0.00 C ATOM 619 CD LYS A 40 -11.582 1.498 2.216 1.00 0.00 C ATOM 620 CE LYS A 40 -12.821 0.626 2.089 1.00 0.00 C ATOM 621 NZ LYS A 40 -14.023 1.282 2.674 1.00 0.00 N ATOM 0 H LYS A 40 -11.312 4.979 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.999 5.266 2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.816 3.691 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.186 3.507 2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.683 3.217 1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.646 2.513 0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.705 0.935 1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.427 1.762 3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.003 0.405 1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.647 -0.327 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.746 0.563 2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.759 1.769 3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.405 1.973 1.997 1.00 0.00 H new ATOM 635 N ILE A 41 -9.128 6.610 1.559 1.00 0.00 N ATOM 636 CA ILE A 41 -8.055 7.478 2.035 1.00 0.00 C ATOM 637 C ILE A 41 -8.438 8.955 1.951 1.00 0.00 C ATOM 638 O ILE A 41 -7.689 9.824 2.397 1.00 0.00 O ATOM 639 CB ILE A 41 -6.763 7.249 1.235 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.419 5.760 1.205 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.616 8.053 1.830 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.301 5.416 0.249 1.00 0.00 C ATOM 0 H ILE A 41 -9.113 6.429 0.555 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.887 7.219 3.080 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.921 7.590 0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.139 5.440 2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.309 5.196 0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.710 7.878 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.864 9.114 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.452 7.744 2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.112 4.343 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.586 5.704 -0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.397 5.952 0.538 1.00 0.00 H new ATOM 654 N LYS A 42 -9.605 9.236 1.375 1.00 0.00 N ATOM 655 CA LYS A 42 -10.077 10.609 1.233 1.00 0.00 C ATOM 656 C LYS A 42 -10.149 11.313 2.585 1.00 0.00 C ATOM 657 O LYS A 42 -10.170 12.542 2.654 1.00 0.00 O ATOM 658 CB LYS A 42 -11.447 10.629 0.563 1.00 0.00 C ATOM 659 CG LYS A 42 -11.623 11.768 -0.429 1.00 0.00 C ATOM 660 CD LYS A 42 -12.398 12.925 0.181 1.00 0.00 C ATOM 661 CE LYS A 42 -12.090 14.234 -0.526 1.00 0.00 C ATOM 662 NZ LYS A 42 -10.805 14.827 -0.064 1.00 0.00 N ATOM 0 H LYS A 42 -10.240 8.531 1.000 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.363 11.145 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.604 9.682 0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.217 10.705 1.331 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.645 12.118 -0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.147 11.404 -1.313 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.467 12.720 0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.149 13.014 1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.045 14.063 -1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.900 14.941 -0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.632 15.719 -0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.856 15.014 0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.028 14.163 -0.256 1.00 0.00 H new ATOM 676 N GLU A 43 -10.185 10.530 3.659 1.00 0.00 N ATOM 677 CA GLU A 43 -10.254 11.084 5.005 1.00 0.00 C ATOM 678 C GLU A 43 -9.357 10.305 5.963 1.00 0.00 C ATOM 679 O GLU A 43 -8.607 10.893 6.743 1.00 0.00 O ATOM 680 CB GLU A 43 -11.696 11.069 5.513 1.00 0.00 C ATOM 681 CG GLU A 43 -12.671 11.791 4.597 1.00 0.00 C ATOM 682 CD GLU A 43 -14.117 11.446 4.895 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.541 11.621 6.058 1.00 0.00 O ATOM 684 OE2 GLU A 43 -14.824 11.000 3.968 1.00 0.00 O ATOM 0 H GLU A 43 -10.168 9.511 3.622 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.901 12.115 4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.020 10.035 5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.729 11.529 6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.530 12.867 4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.447 11.536 3.561 1.00 0.00 H new ATOM 691 N LEU A 44 -9.439 8.981 5.898 1.00 0.00 N ATOM 692 CA LEU A 44 -8.635 8.121 6.759 1.00 0.00 C ATOM 693 C LEU A 44 -7.146 8.385 6.554 1.00 0.00 C ATOM 694 O LEU A 44 -6.626 8.242 5.446 1.00 0.00 O ATOM 695 CB LEU A 44 -8.951 6.649 6.481 1.00 0.00 C ATOM 696 CG LEU A 44 -9.235 5.802 7.723 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.027 5.790 8.647 1.00 0.00 C ATOM 698 CD2 LEU A 44 -10.463 6.323 8.453 1.00 0.00 C ATOM 0 H LEU A 44 -10.054 8.479 5.258 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.884 8.348 7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.816 6.597 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.111 6.208 5.943 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.434 4.778 7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.247 5.183 9.525 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.170 5.370 8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.797 6.809 8.959 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.650 5.709 9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.293 7.355 8.760 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.327 6.279 7.789 1.00 0.00 H new ATOM 710 N PHE A 45 -6.464 8.768 7.628 1.00 0.00 N ATOM 711 CA PHE A 45 -5.035 9.049 7.567 1.00 0.00 C ATOM 712 C PHE A 45 -4.222 7.777 7.782 1.00 0.00 C ATOM 713 O PHE A 45 -3.652 7.565 8.852 1.00 0.00 O ATOM 714 CB PHE A 45 -4.654 10.097 8.614 1.00 0.00 C ATOM 715 CG PHE A 45 -3.282 10.676 8.413 1.00 0.00 C ATOM 716 CD1 PHE A 45 -2.175 10.091 9.007 1.00 0.00 C ATOM 717 CD2 PHE A 45 -3.100 11.805 7.631 1.00 0.00 C ATOM 718 CE1 PHE A 45 -0.912 10.621 8.824 1.00 0.00 C ATOM 719 CE2 PHE A 45 -1.839 12.341 7.445 1.00 0.00 C ATOM 720 CZ PHE A 45 -0.744 11.748 8.042 1.00 0.00 C ATOM 0 H PHE A 45 -6.879 8.891 8.552 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.808 9.440 6.575 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.387 10.904 8.592 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.707 9.645 9.605 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.301 9.211 9.620 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.953 12.272 7.161 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.057 10.155 9.292 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.711 13.222 6.834 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.242 12.164 7.898 1.00 0.00 H new ATOM 730 N PHE A 46 -4.177 6.931 6.758 1.00 0.00 N ATOM 731 CA PHE A 46 -3.437 5.677 6.834 1.00 0.00 C ATOM 732 C PHE A 46 -1.936 5.935 6.954 1.00 0.00 C ATOM 733 O PHE A 46 -1.375 6.728 6.199 1.00 0.00 O ATOM 734 CB PHE A 46 -3.716 4.821 5.598 1.00 0.00 C ATOM 735 CG PHE A 46 -4.976 4.009 5.698 1.00 0.00 C ATOM 736 CD1 PHE A 46 -4.999 2.829 6.422 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.136 4.426 5.066 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.156 2.079 6.514 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.296 3.682 5.154 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.306 2.506 5.880 1.00 0.00 C ATOM 0 H PHE A 46 -4.644 7.091 5.866 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.770 5.143 7.724 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.781 5.470 4.725 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.873 4.149 5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.103 2.491 6.920 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.133 5.344 4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.161 1.160 7.081 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.194 4.018 4.657 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.212 1.922 5.951 1.00 0.00 H new ATOM 750 N PRO A 47 -1.260 5.260 7.902 1.00 0.00 N ATOM 751 CA PRO A 47 0.182 5.421 8.103 1.00 0.00 C ATOM 752 C PRO A 47 0.989 4.711 7.022 1.00 0.00 C ATOM 753 O PRO A 47 2.089 5.136 6.670 1.00 0.00 O ATOM 754 CB PRO A 47 0.420 4.762 9.461 1.00 0.00 C ATOM 755 CG PRO A 47 -0.643 3.726 9.563 1.00 0.00 C ATOM 756 CD PRO A 47 -1.842 4.286 8.845 1.00 0.00 C ATOM 0 HA PRO A 47 0.492 6.465 8.059 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.414 4.318 9.518 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.347 5.487 10.272 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.319 2.789 9.109 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.878 3.510 10.605 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.397 3.506 8.324 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.536 4.763 9.537 1.00 0.00 H new ATOM 764 N VAL A 48 0.429 3.625 6.503 1.00 0.00 N ATOM 765 CA VAL A 48 1.088 2.847 5.465 1.00 0.00 C ATOM 766 C VAL A 48 0.098 2.368 4.412 1.00 0.00 C ATOM 767 O VAL A 48 -0.969 1.844 4.735 1.00 0.00 O ATOM 768 CB VAL A 48 1.810 1.625 6.060 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.893 1.124 5.115 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.392 1.969 7.420 1.00 0.00 C ATOM 0 H VAL A 48 -0.482 3.264 6.786 1.00 0.00 H new ATOM 0 HA VAL A 48 1.817 3.507 4.995 1.00 0.00 H new ATOM 0 HB VAL A 48 1.084 0.823 6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.390 0.260 5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.443 0.837 4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.623 1.915 4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.900 1.096 7.830 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.105 2.787 7.314 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.590 2.271 8.093 1.00 0.00 H new ATOM 780 N ILE A 49 0.466 2.550 3.151 1.00 0.00 N ATOM 781 CA ILE A 49 -0.374 2.136 2.035 1.00 0.00 C ATOM 782 C ILE A 49 0.311 1.037 1.232 1.00 0.00 C ATOM 783 O ILE A 49 1.533 1.030 1.092 1.00 0.00 O ATOM 784 CB ILE A 49 -0.695 3.316 1.098 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.110 4.546 1.907 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.789 2.929 0.115 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.330 4.318 2.770 1.00 0.00 C ATOM 0 H ILE A 49 1.346 2.984 2.874 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.307 1.761 2.456 1.00 0.00 H new ATOM 0 HB ILE A 49 0.204 3.565 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.278 4.851 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.308 5.371 1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.005 3.773 -0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.457 2.081 -0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.691 2.656 0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.566 5.232 3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.175 4.043 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.129 3.515 3.479 1.00 0.00 H new ATOM 799 N VAL A 50 -0.480 0.109 0.708 1.00 0.00 N ATOM 800 CA VAL A 50 0.064 -0.992 -0.077 1.00 0.00 C ATOM 801 C VAL A 50 -0.672 -1.150 -1.397 1.00 0.00 C ATOM 802 O VAL A 50 -1.797 -1.644 -1.442 1.00 0.00 O ATOM 803 CB VAL A 50 0.005 -2.319 0.699 1.00 0.00 C ATOM 804 CG1 VAL A 50 0.663 -3.439 -0.093 1.00 0.00 C ATOM 805 CG2 VAL A 50 0.666 -2.158 2.055 1.00 0.00 C ATOM 0 H VAL A 50 -1.495 0.096 0.811 1.00 0.00 H new ATOM 0 HA VAL A 50 1.106 -0.746 -0.280 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.041 -2.587 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.609 -4.367 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.145 -3.565 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.707 -3.188 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.619 -3.103 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.708 -1.868 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.146 -1.387 2.624 1.00 0.00 H new ATOM 815 N LEU A 51 -0.020 -0.738 -2.473 1.00 0.00 N ATOM 816 CA LEU A 51 -0.599 -0.841 -3.805 1.00 0.00 C ATOM 817 C LEU A 51 -0.032 -2.053 -4.536 1.00 0.00 C ATOM 818 O LEU A 51 1.117 -2.437 -4.319 1.00 0.00 O ATOM 819 CB LEU A 51 -0.328 0.435 -4.605 1.00 0.00 C ATOM 820 CG LEU A 51 -0.974 0.479 -5.990 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.490 0.518 -5.871 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.466 1.679 -6.777 1.00 0.00 C ATOM 0 H LEU A 51 0.914 -0.328 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.677 -0.966 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.682 1.289 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.750 0.552 -4.719 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.697 -0.427 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.932 0.549 -6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.837 -0.373 -5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.788 1.406 -5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.936 1.695 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.713 2.596 -6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.615 1.607 -6.893 1.00 0.00 H new ATOM 834 N ASP A 52 -0.847 -2.658 -5.391 1.00 0.00 N ATOM 835 CA ASP A 52 -0.426 -3.837 -6.142 1.00 0.00 C ATOM 836 C ASP A 52 -0.468 -3.588 -7.646 1.00 0.00 C ATOM 837 O ASP A 52 0.326 -4.153 -8.398 1.00 0.00 O ATOM 838 CB ASP A 52 -1.312 -5.032 -5.788 1.00 0.00 C ATOM 839 CG ASP A 52 -0.569 -6.349 -5.874 1.00 0.00 C ATOM 840 OD1 ASP A 52 0.436 -6.416 -6.613 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.990 -7.315 -5.204 1.00 0.00 O ATOM 0 H ASP A 52 -1.802 -2.354 -5.582 1.00 0.00 H new ATOM 0 HA ASP A 52 0.605 -4.055 -5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.703 -4.904 -4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.169 -5.057 -6.461 1.00 0.00 H new ATOM 846 N VAL A 53 -1.401 -2.749 -8.084 1.00 0.00 N ATOM 847 CA VAL A 53 -1.537 -2.443 -9.502 1.00 0.00 C ATOM 848 C VAL A 53 -1.846 -3.708 -10.301 1.00 0.00 C ATOM 849 O VAL A 53 -1.056 -4.132 -11.144 1.00 0.00 O ATOM 850 CB VAL A 53 -0.253 -1.784 -10.058 1.00 0.00 C ATOM 851 CG1 VAL A 53 -0.348 -1.571 -11.562 1.00 0.00 C ATOM 852 CG2 VAL A 53 0.021 -0.466 -9.350 1.00 0.00 C ATOM 0 H VAL A 53 -2.070 -2.271 -7.481 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.364 -1.741 -9.606 1.00 0.00 H new ATOM 0 HB VAL A 53 0.579 -2.462 -9.867 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.570 -1.106 -11.922 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.487 -2.532 -12.057 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.195 -0.922 -11.785 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.928 -0.017 -9.755 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.819 0.211 -9.504 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.150 -0.646 -8.283 1.00 0.00 H new ATOM 862 N TRP A 54 -3.002 -4.312 -10.032 1.00 0.00 N ATOM 863 CA TRP A 54 -3.401 -5.526 -10.734 1.00 0.00 C ATOM 864 C TRP A 54 -3.471 -5.272 -12.238 1.00 0.00 C ATOM 865 O TRP A 54 -2.532 -5.577 -12.974 1.00 0.00 O ATOM 866 CB TRP A 54 -4.751 -6.028 -10.214 1.00 0.00 C ATOM 867 CG TRP A 54 -5.264 -7.227 -10.951 1.00 0.00 C ATOM 868 CD1 TRP A 54 -6.483 -7.367 -11.546 1.00 0.00 C ATOM 869 CD2 TRP A 54 -4.565 -8.457 -11.173 1.00 0.00 C ATOM 870 NE1 TRP A 54 -6.589 -8.610 -12.121 1.00 0.00 N ATOM 871 CE2 TRP A 54 -5.423 -9.297 -11.906 1.00 0.00 C ATOM 872 CE3 TRP A 54 -3.297 -8.926 -10.822 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -5.053 -10.582 -12.295 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -2.930 -10.202 -11.208 1.00 0.00 C ATOM 875 CH2 TRP A 54 -3.804 -11.017 -11.938 1.00 0.00 C ATOM 0 H TRP A 54 -3.673 -3.982 -9.338 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.652 -6.295 -10.546 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.656 -6.274 -9.156 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.483 -5.224 -10.289 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.253 -6.610 -11.563 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -7.402 -8.964 -12.625 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.616 -8.304 -10.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.726 -11.212 -12.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.953 -10.577 -10.942 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.487 -12.009 -12.225 1.00 0.00 H new ATOM 886 N MET A 55 -4.583 -4.699 -12.688 1.00 0.00 N ATOM 887 CA MET A 55 -4.765 -4.389 -14.101 1.00 0.00 C ATOM 888 C MET A 55 -5.702 -3.194 -14.286 1.00 0.00 C ATOM 889 O MET A 55 -6.639 -3.254 -15.084 1.00 0.00 O ATOM 890 CB MET A 55 -5.315 -5.608 -14.842 1.00 0.00 C ATOM 891 CG MET A 55 -4.726 -5.793 -16.231 1.00 0.00 C ATOM 892 SD MET A 55 -5.446 -7.193 -17.111 1.00 0.00 S ATOM 893 CE MET A 55 -5.597 -6.515 -18.762 1.00 0.00 C ATOM 0 H MET A 55 -5.371 -4.440 -12.094 1.00 0.00 H new ATOM 0 HA MET A 55 -3.793 -4.127 -14.518 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.117 -6.502 -14.251 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.398 -5.514 -14.925 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.883 -4.884 -16.812 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.649 -5.936 -16.148 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.029 -7.265 -19.425 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.243 -5.637 -18.737 1.00 0.00 H new ATOM 0 HE3 MET A 55 -4.611 -6.230 -19.130 1.00 0.00 H new ATOM 903 N PRO A 56 -5.469 -2.085 -13.554 1.00 0.00 N ATOM 904 CA PRO A 56 -6.300 -0.883 -13.649 1.00 0.00 C ATOM 905 C PRO A 56 -5.991 -0.071 -14.904 1.00 0.00 C ATOM 906 O PRO A 56 -5.584 -0.623 -15.926 1.00 0.00 O ATOM 907 CB PRO A 56 -5.934 -0.083 -12.382 1.00 0.00 C ATOM 908 CG PRO A 56 -5.029 -0.967 -11.590 1.00 0.00 C ATOM 909 CD PRO A 56 -4.392 -1.898 -12.577 1.00 0.00 C ATOM 0 HA PRO A 56 -7.361 -1.125 -13.716 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.439 0.853 -12.640 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.826 0.175 -11.811 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.275 -0.382 -11.063 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.587 -1.521 -10.835 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.500 -1.465 -13.030 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.091 -2.839 -12.116 1.00 0.00 H new ATOM 917 N ASP A 57 -6.185 1.243 -14.823 1.00 0.00 N ATOM 918 CA ASP A 57 -5.924 2.125 -15.954 1.00 0.00 C ATOM 919 C ASP A 57 -5.163 3.375 -15.516 1.00 0.00 C ATOM 920 O ASP A 57 -5.186 4.398 -16.200 1.00 0.00 O ATOM 921 CB ASP A 57 -7.239 2.526 -16.627 1.00 0.00 C ATOM 922 CG ASP A 57 -8.237 3.106 -15.644 1.00 0.00 C ATOM 923 OD1 ASP A 57 -7.956 4.181 -15.075 1.00 0.00 O ATOM 924 OD2 ASP A 57 -9.302 2.483 -15.443 1.00 0.00 O ATOM 0 H ASP A 57 -6.522 1.719 -13.986 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.305 1.581 -16.668 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.036 3.258 -17.409 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.676 1.654 -17.113 1.00 0.00 H new ATOM 929 N GLY A 58 -4.487 3.288 -14.371 1.00 0.00 N ATOM 930 CA GLY A 58 -3.732 4.423 -13.868 1.00 0.00 C ATOM 931 C GLY A 58 -2.303 4.067 -13.492 1.00 0.00 C ATOM 932 O GLY A 58 -1.523 4.940 -13.111 1.00 0.00 O ATOM 0 H GLY A 58 -4.449 2.454 -13.785 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.718 5.207 -14.625 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.240 4.832 -12.995 1.00 0.00 H new ATOM 936 N ASP A 59 -1.956 2.785 -13.593 1.00 0.00 N ATOM 937 CA ASP A 59 -0.612 2.322 -13.253 1.00 0.00 C ATOM 938 C ASP A 59 -0.208 2.782 -11.856 1.00 0.00 C ATOM 939 O ASP A 59 0.977 2.906 -11.547 1.00 0.00 O ATOM 940 CB ASP A 59 0.401 2.822 -14.284 1.00 0.00 C ATOM 941 CG ASP A 59 0.330 2.049 -15.587 1.00 0.00 C ATOM 942 OD1 ASP A 59 0.744 0.870 -15.600 1.00 0.00 O ATOM 943 OD2 ASP A 59 -0.138 2.621 -16.593 1.00 0.00 O ATOM 0 H ASP A 59 -2.587 2.048 -13.908 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.621 1.232 -13.264 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.222 3.879 -14.482 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.406 2.740 -13.871 1.00 0.00 H new ATOM 948 N GLY A 60 -1.207 3.026 -11.016 1.00 0.00 N ATOM 949 CA GLY A 60 -0.960 3.463 -9.652 1.00 0.00 C ATOM 950 C GLY A 60 0.012 4.630 -9.552 1.00 0.00 C ATOM 951 O GLY A 60 0.569 4.880 -8.485 1.00 0.00 O ATOM 0 H GLY A 60 -2.193 2.928 -11.257 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.907 3.750 -9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.568 2.625 -9.076 1.00 0.00 H new ATOM 955 N VAL A 61 0.216 5.346 -10.654 1.00 0.00 N ATOM 956 CA VAL A 61 1.121 6.480 -10.666 1.00 0.00 C ATOM 957 C VAL A 61 0.402 7.757 -10.244 1.00 0.00 C ATOM 958 O VAL A 61 0.913 8.534 -9.438 1.00 0.00 O ATOM 959 CB VAL A 61 1.720 6.677 -12.066 1.00 0.00 C ATOM 960 CG1 VAL A 61 2.793 7.744 -12.035 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.274 5.366 -12.599 1.00 0.00 C ATOM 0 H VAL A 61 -0.236 5.157 -11.549 1.00 0.00 H new ATOM 0 HA VAL A 61 1.921 6.271 -9.955 1.00 0.00 H new ATOM 0 HB VAL A 61 0.929 7.008 -12.739 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.208 7.872 -13.035 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.360 8.686 -11.699 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.585 7.444 -11.349 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.694 5.526 -13.592 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.053 5.001 -11.930 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.473 4.630 -12.658 1.00 0.00 H new ATOM 971 N ASN A 62 -0.790 7.967 -10.790 1.00 0.00 N ATOM 972 CA ASN A 62 -1.583 9.129 -10.472 1.00 0.00 C ATOM 973 C ASN A 62 -2.026 9.103 -9.011 1.00 0.00 C ATOM 974 O ASN A 62 -2.454 10.120 -8.463 1.00 0.00 O ATOM 975 CB ASN A 62 -2.793 9.155 -11.394 1.00 0.00 C ATOM 976 CG ASN A 62 -3.578 7.858 -11.358 1.00 0.00 C ATOM 977 OD1 ASN A 62 -3.281 6.961 -10.569 1.00 0.00 O ATOM 978 ND2 ASN A 62 -4.587 7.753 -12.216 1.00 0.00 N ATOM 0 H ASN A 62 -1.225 7.335 -11.462 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.985 10.029 -10.618 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.446 9.979 -11.108 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.464 9.349 -12.415 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.151 6.903 -12.238 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.798 8.522 -12.852 1.00 0.00 H new ATOM 985 N PHE A 63 -1.924 7.932 -8.387 1.00 0.00 N ATOM 986 CA PHE A 63 -2.314 7.763 -6.993 1.00 0.00 C ATOM 987 C PHE A 63 -1.172 8.136 -6.053 1.00 0.00 C ATOM 988 O PHE A 63 -1.403 8.573 -4.926 1.00 0.00 O ATOM 989 CB PHE A 63 -2.742 6.314 -6.746 1.00 0.00 C ATOM 990 CG PHE A 63 -3.500 6.103 -5.465 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.350 7.080 -4.970 1.00 0.00 C ATOM 992 CD2 PHE A 63 -3.364 4.919 -4.757 1.00 0.00 C ATOM 993 CE1 PHE A 63 -5.047 6.879 -3.795 1.00 0.00 C ATOM 994 CE2 PHE A 63 -4.060 4.713 -3.582 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.903 5.695 -3.100 1.00 0.00 C ATOM 0 H PHE A 63 -1.572 7.083 -8.829 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.152 8.430 -6.789 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.361 5.983 -7.580 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.854 5.682 -6.738 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.468 8.008 -5.509 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.706 4.148 -5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.705 7.649 -3.420 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.945 3.785 -3.041 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.448 5.537 -2.181 1.00 0.00 H new ATOM 1005 N ILE A 64 0.062 7.961 -6.525 1.00 0.00 N ATOM 1006 CA ILE A 64 1.243 8.278 -5.724 1.00 0.00 C ATOM 1007 C ILE A 64 1.110 9.641 -5.056 1.00 0.00 C ATOM 1008 O ILE A 64 1.438 9.804 -3.880 1.00 0.00 O ATOM 1009 CB ILE A 64 2.532 8.273 -6.574 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.593 7.037 -7.477 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.756 8.332 -5.674 1.00 0.00 C ATOM 1012 CD1 ILE A 64 2.455 5.729 -6.735 1.00 0.00 C ATOM 0 H ILE A 64 0.269 7.602 -7.457 1.00 0.00 H new ATOM 0 HA ILE A 64 1.313 7.501 -4.963 1.00 0.00 H new ATOM 0 HB ILE A 64 2.520 9.156 -7.213 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.802 7.105 -8.223 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.540 7.039 -8.016 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.658 8.328 -6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.726 9.244 -5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.763 7.466 -5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.508 4.902 -7.443 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.261 5.637 -6.008 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.496 5.703 -6.218 1.00 0.00 H new ATOM 1024 N ASP A 65 0.627 10.619 -5.813 1.00 0.00 N ATOM 1025 CA ASP A 65 0.452 11.970 -5.295 1.00 0.00 C ATOM 1026 C ASP A 65 -0.674 12.016 -4.269 1.00 0.00 C ATOM 1027 O ASP A 65 -0.531 12.622 -3.208 1.00 0.00 O ATOM 1028 CB ASP A 65 0.162 12.946 -6.437 1.00 0.00 C ATOM 1029 CG ASP A 65 0.914 14.255 -6.284 1.00 0.00 C ATOM 1030 OD1 ASP A 65 0.451 15.117 -5.507 1.00 0.00 O ATOM 1031 OD2 ASP A 65 1.964 14.416 -6.941 1.00 0.00 O ATOM 0 H ASP A 65 0.350 10.502 -6.788 1.00 0.00 H new ATOM 0 HA ASP A 65 1.379 12.267 -4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.434 12.483 -7.385 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.908 13.147 -6.476 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.792 11.371 -4.587 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.941 11.335 -3.689 1.00 0.00 C ATOM 1038 C PHE A 66 -2.519 10.938 -2.278 1.00 0.00 C ATOM 1039 O PHE A 66 -2.993 11.506 -1.294 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.985 10.354 -4.222 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.289 10.387 -3.477 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.401 9.810 -2.223 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.405 10.990 -4.037 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.601 9.833 -1.540 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.608 11.015 -3.359 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.706 10.435 -2.109 1.00 0.00 C ATOM 0 H PHE A 66 -1.927 10.865 -5.462 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.375 12.334 -3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.173 10.574 -5.273 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.577 9.344 -4.176 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.540 9.337 -1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.333 11.445 -5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.675 9.381 -0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.471 11.487 -3.805 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.646 10.452 -1.577 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.618 9.965 -2.188 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.126 9.502 -0.897 1.00 0.00 C ATOM 1058 C ILE A 67 -0.400 10.630 -0.169 1.00 0.00 C ATOM 1059 O ILE A 67 -0.680 10.910 0.997 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.184 8.283 -1.057 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.001 7.019 -1.331 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.681 8.091 0.183 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.612 6.977 -2.713 1.00 0.00 C ATOM 0 H ILE A 67 -1.215 9.483 -2.992 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.987 9.191 -0.306 1.00 0.00 H new ATOM 0 HB ILE A 67 0.476 8.473 -1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.360 6.147 -1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.796 6.943 -0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.332 7.228 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.288 8.982 0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.042 7.926 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.176 6.052 -2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.280 7.829 -2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.821 7.020 -3.462 1.00 0.00 H new ATOM 1075 N LYS A 68 0.525 11.284 -0.864 1.00 0.00 N ATOM 1076 CA LYS A 68 1.275 12.388 -0.276 1.00 0.00 C ATOM 1077 C LYS A 68 0.418 13.651 -0.203 1.00 0.00 C ATOM 1078 O LYS A 68 0.782 14.620 0.463 1.00 0.00 O ATOM 1079 CB LYS A 68 2.543 12.663 -1.088 1.00 0.00 C ATOM 1080 CG LYS A 68 3.491 11.477 -1.158 1.00 0.00 C ATOM 1081 CD LYS A 68 4.719 11.691 -0.287 1.00 0.00 C ATOM 1082 CE LYS A 68 5.635 12.755 -0.868 1.00 0.00 C ATOM 1083 NZ LYS A 68 5.359 14.102 -0.297 1.00 0.00 N ATOM 0 H LYS A 68 0.772 11.070 -1.830 1.00 0.00 H new ATOM 0 HA LYS A 68 1.557 12.103 0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.260 12.952 -2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.068 13.512 -0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.970 10.574 -0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.800 11.318 -2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.408 11.985 0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.265 10.753 -0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.673 12.485 -0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.511 12.788 -1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.252 14.538 0.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.912 14.701 -1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.721 14.009 0.519 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.726 13.630 -0.884 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.635 14.767 -0.889 1.00 0.00 C ATOM 1099 C GLU A 69 -2.382 14.855 0.435 1.00 0.00 C ATOM 1100 O GLU A 69 -2.447 15.914 1.058 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.630 14.647 -2.042 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.390 15.932 -2.326 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.849 15.685 -2.659 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -5.136 14.698 -3.369 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.703 16.477 -2.210 1.00 0.00 O ATOM 0 H GLU A 69 -1.043 12.835 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.048 15.676 -1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.095 14.344 -2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.344 13.855 -1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.325 16.588 -1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.915 16.455 -3.156 1.00 0.00 H new ATOM 1112 N ASN A 70 -2.946 13.729 0.855 1.00 0.00 N ATOM 1113 CA ASN A 70 -3.692 13.662 2.104 1.00 0.00 C ATOM 1114 C ASN A 70 -2.986 12.760 3.115 1.00 0.00 C ATOM 1115 O ASN A 70 -3.587 12.323 4.096 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.112 13.147 1.843 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.706 13.714 0.567 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -5.237 13.222 -0.575 1.00 0.00 O flip ATOM 1119 ND2 ASN A 70 -6.578 14.582 0.607 1.00 0.00 N flip ATOM 0 H ASN A 70 -2.900 12.846 0.346 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.747 14.667 2.522 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.096 12.059 1.781 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.751 13.409 2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.909 14.931 1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.970 14.952 -0.259 1.00 0.00 H new ATOM 1126 N SER A 71 -1.707 12.485 2.868 1.00 0.00 N ATOM 1127 CA SER A 71 -0.920 11.638 3.754 1.00 0.00 C ATOM 1128 C SER A 71 0.575 11.837 3.506 1.00 0.00 C ATOM 1129 O SER A 71 1.261 10.933 3.027 1.00 0.00 O ATOM 1130 CB SER A 71 -1.296 10.168 3.555 1.00 0.00 C ATOM 1131 OG SER A 71 -2.061 9.684 4.645 1.00 0.00 O ATOM 0 H SER A 71 -1.195 12.838 2.060 1.00 0.00 H new ATOM 0 HA SER A 71 -1.140 11.922 4.783 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.863 10.057 2.631 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.391 9.570 3.448 1.00 0.00 H new ATOM 0 HG SER A 71 -2.779 10.319 4.848 1.00 0.00 H new ATOM 1137 N PRO A 72 1.102 13.030 3.828 1.00 0.00 N ATOM 1138 CA PRO A 72 2.518 13.348 3.638 1.00 0.00 C ATOM 1139 C PRO A 72 3.406 12.666 4.670 1.00 0.00 C ATOM 1140 O PRO A 72 4.622 12.580 4.504 1.00 0.00 O ATOM 1141 CB PRO A 72 2.585 14.875 3.798 1.00 0.00 C ATOM 1142 CG PRO A 72 1.168 15.342 3.920 1.00 0.00 C ATOM 1143 CD PRO A 72 0.371 14.165 4.399 1.00 0.00 C ATOM 0 HA PRO A 72 2.880 12.999 2.671 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.163 15.149 4.680 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.075 15.336 2.940 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.092 16.173 4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.793 15.700 2.961 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.333 14.117 5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.660 14.202 4.046 1.00 0.00 H new ATOM 1151 N ASP A 73 2.784 12.185 5.735 1.00 0.00 N ATOM 1152 CA ASP A 73 3.503 11.506 6.806 1.00 0.00 C ATOM 1153 C ASP A 73 3.132 10.028 6.856 1.00 0.00 C ATOM 1154 O ASP A 73 3.099 9.421 7.926 1.00 0.00 O ATOM 1155 CB ASP A 73 3.198 12.166 8.150 1.00 0.00 C ATOM 1156 CG ASP A 73 4.070 11.629 9.269 1.00 0.00 C ATOM 1157 OD1 ASP A 73 5.302 11.827 9.208 1.00 0.00 O ATOM 1158 OD2 ASP A 73 3.521 11.014 10.206 1.00 0.00 O ATOM 0 H ASP A 73 1.777 12.252 5.883 1.00 0.00 H new ATOM 0 HA ASP A 73 4.571 11.588 6.603 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.344 13.243 8.064 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.150 12.005 8.401 1.00 0.00 H new ATOM 1163 N SER A 74 2.852 9.457 5.690 1.00 0.00 N ATOM 1164 CA SER A 74 2.480 8.050 5.595 1.00 0.00 C ATOM 1165 C SER A 74 3.568 7.246 4.886 1.00 0.00 C ATOM 1166 O SER A 74 4.718 7.679 4.806 1.00 0.00 O ATOM 1167 CB SER A 74 1.148 7.910 4.856 1.00 0.00 C ATOM 1168 OG SER A 74 0.708 6.562 4.846 1.00 0.00 O ATOM 0 H SER A 74 2.876 9.947 4.796 1.00 0.00 H new ATOM 0 HA SER A 74 2.369 7.653 6.604 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.396 8.538 5.334 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.257 8.267 3.832 1.00 0.00 H new ATOM 0 HG SER A 74 -0.220 6.519 5.157 1.00 0.00 H new ATOM 1174 N VAL A 75 3.201 6.076 4.369 1.00 0.00 N ATOM 1175 CA VAL A 75 4.157 5.232 3.667 1.00 0.00 C ATOM 1176 C VAL A 75 3.566 4.614 2.408 1.00 0.00 C ATOM 1177 O VAL A 75 2.416 4.186 2.387 1.00 0.00 O ATOM 1178 CB VAL A 75 4.704 4.106 4.562 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.780 3.324 3.819 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.247 4.676 5.865 1.00 0.00 C ATOM 0 H VAL A 75 2.256 5.695 4.423 1.00 0.00 H new ATOM 0 HA VAL A 75 4.976 5.894 3.386 1.00 0.00 H new ATOM 0 HB VAL A 75 3.890 3.424 4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.161 2.529 4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.354 2.888 2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.596 3.994 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.630 3.865 6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.052 5.378 5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.448 5.194 6.396 1.00 0.00 H new ATOM 1190 N VAL A 76 4.372 4.589 1.358 1.00 0.00 N ATOM 1191 CA VAL A 76 3.948 4.036 0.078 1.00 0.00 C ATOM 1192 C VAL A 76 4.745 2.787 -0.277 1.00 0.00 C ATOM 1193 O VAL A 76 5.872 2.877 -0.765 1.00 0.00 O ATOM 1194 CB VAL A 76 4.095 5.062 -1.059 1.00 0.00 C ATOM 1195 CG1 VAL A 76 3.343 4.598 -2.297 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.610 6.433 -0.615 1.00 0.00 C ATOM 0 H VAL A 76 5.327 4.946 1.366 1.00 0.00 H new ATOM 0 HA VAL A 76 2.896 3.774 0.186 1.00 0.00 H new ATOM 0 HB VAL A 76 5.152 5.144 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.458 5.336 -3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.746 3.641 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.286 4.484 -2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.723 7.142 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.560 6.373 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.199 6.768 0.239 1.00 0.00 H new ATOM 1206 N ILE A 77 4.151 1.624 -0.035 1.00 0.00 N ATOM 1207 CA ILE A 77 4.804 0.358 -0.337 1.00 0.00 C ATOM 1208 C ILE A 77 4.230 -0.259 -1.608 1.00 0.00 C ATOM 1209 O ILE A 77 3.977 -1.462 -1.669 1.00 0.00 O ATOM 1210 CB ILE A 77 4.662 -0.644 0.824 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.075 0.008 2.145 1.00 0.00 C ATOM 1212 CG2 ILE A 77 5.499 -1.888 0.556 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.497 0.529 2.145 1.00 0.00 C ATOM 0 H ILE A 77 3.219 1.533 0.369 1.00 0.00 H new ATOM 0 HA ILE A 77 5.862 0.572 -0.484 1.00 0.00 H new ATOM 0 HB ILE A 77 3.616 -0.942 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.395 0.832 2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.963 -0.718 2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.388 -2.587 1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.161 -2.362 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.547 -1.607 0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.720 0.978 3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.186 -0.295 1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.609 1.280 1.363 1.00 0.00 H new ATOM 1225 N VAL A 78 4.028 0.578 -2.622 1.00 0.00 N ATOM 1226 CA VAL A 78 3.488 0.127 -3.900 1.00 0.00 C ATOM 1227 C VAL A 78 4.324 -1.016 -4.471 1.00 0.00 C ATOM 1228 O VAL A 78 5.254 -0.792 -5.244 1.00 0.00 O ATOM 1229 CB VAL A 78 3.441 1.286 -4.920 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.961 0.798 -6.280 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.550 2.407 -4.407 1.00 0.00 C ATOM 0 H VAL A 78 4.231 1.577 -2.582 1.00 0.00 H new ATOM 0 HA VAL A 78 2.474 -0.228 -3.719 1.00 0.00 H new ATOM 0 HB VAL A 78 4.452 1.674 -5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.937 1.634 -6.979 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.641 0.032 -6.653 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.960 0.378 -6.183 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.527 3.216 -5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.540 2.028 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.944 2.781 -3.462 1.00 0.00 H new ATOM 1241 N ILE A 79 3.986 -2.240 -4.081 1.00 0.00 N ATOM 1242 CA ILE A 79 4.705 -3.416 -4.550 1.00 0.00 C ATOM 1243 C ILE A 79 4.503 -3.619 -6.051 1.00 0.00 C ATOM 1244 O ILE A 79 5.128 -2.939 -6.863 1.00 0.00 O ATOM 1245 CB ILE A 79 4.283 -4.679 -3.766 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.322 -4.406 -2.259 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.187 -5.850 -4.127 1.00 0.00 C ATOM 1248 CD1 ILE A 79 3.996 -5.618 -1.413 1.00 0.00 C ATOM 0 H ILE A 79 3.218 -2.443 -3.441 1.00 0.00 H new ATOM 0 HA ILE A 79 5.767 -3.248 -4.370 1.00 0.00 H new ATOM 0 HB ILE A 79 3.260 -4.939 -4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.314 -4.042 -1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.616 -3.609 -2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.879 -6.733 -3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.111 -6.052 -5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.219 -5.604 -3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.043 -5.349 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.993 -5.970 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.717 -6.409 -1.618 1.00 0.00 H new ATOM 1260 N THR A 80 3.627 -4.547 -6.417 1.00 0.00 N ATOM 1261 CA THR A 80 3.338 -4.829 -7.821 1.00 0.00 C ATOM 1262 C THR A 80 4.507 -5.553 -8.487 1.00 0.00 C ATOM 1263 O THR A 80 4.363 -6.686 -8.945 1.00 0.00 O ATOM 1264 CB THR A 80 3.005 -3.534 -8.582 1.00 0.00 C ATOM 1265 OG1 THR A 80 4.169 -2.964 -9.153 1.00 0.00 O ATOM 1266 CG2 THR A 80 2.359 -2.473 -7.714 1.00 0.00 C ATOM 0 H THR A 80 3.101 -5.121 -5.758 1.00 0.00 H new ATOM 0 HA THR A 80 2.467 -5.483 -7.857 1.00 0.00 H new ATOM 0 HB THR A 80 2.295 -3.836 -9.352 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.629 -2.419 -8.481 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.152 -1.588 -8.315 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.426 -2.858 -7.302 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.034 -2.209 -6.900 1.00 0.00 H new ATOM 1274 N GLY A 81 5.663 -4.897 -8.536 1.00 0.00 N ATOM 1275 CA GLY A 81 6.833 -5.499 -9.147 1.00 0.00 C ATOM 1276 C GLY A 81 6.596 -5.896 -10.592 1.00 0.00 C ATOM 1277 O GLY A 81 6.851 -5.114 -11.508 1.00 0.00 O ATOM 0 H GLY A 81 5.809 -3.959 -8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.666 -4.797 -9.099 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.125 -6.380 -8.575 1.00 0.00 H new ATOM 1281 N HIS A 82 6.107 -7.115 -10.796 1.00 0.00 N ATOM 1282 CA HIS A 82 5.835 -7.618 -12.138 1.00 0.00 C ATOM 1283 C HIS A 82 7.109 -7.655 -12.975 1.00 0.00 C ATOM 1284 O HIS A 82 7.065 -7.526 -14.198 1.00 0.00 O ATOM 1285 CB HIS A 82 4.779 -6.747 -12.825 1.00 0.00 C ATOM 1286 CG HIS A 82 3.487 -7.460 -13.077 1.00 0.00 C ATOM 1287 ND1 HIS A 82 2.255 -6.854 -12.950 1.00 0.00 N ATOM 1288 CD2 HIS A 82 3.238 -8.738 -13.451 1.00 0.00 C ATOM 1289 CE1 HIS A 82 1.305 -7.727 -13.233 1.00 0.00 C ATOM 1290 NE2 HIS A 82 1.875 -8.877 -13.541 1.00 0.00 N ATOM 0 H HIS A 82 5.891 -7.774 -10.048 1.00 0.00 H new ATOM 0 HA HIS A 82 5.455 -8.636 -12.049 1.00 0.00 H new ATOM 0 HB2 HIS A 82 4.586 -5.870 -12.208 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.177 -6.388 -13.774 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.974 -9.505 -13.643 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.243 -7.533 -13.215 1.00 0.00 H new ATOM 0 HE2 HIS A 82 1.383 -9.731 -13.803 1.00 0.00 H new ATOM 1299 N GLY A 83 8.246 -7.833 -12.309 1.00 0.00 N ATOM 1300 CA GLY A 83 9.515 -7.884 -13.009 1.00 0.00 C ATOM 1301 C GLY A 83 9.995 -6.513 -13.443 1.00 0.00 C ATOM 1302 O GLY A 83 11.053 -6.054 -13.014 1.00 0.00 O ATOM 0 H GLY A 83 8.310 -7.943 -11.297 1.00 0.00 H new ATOM 0 HA2 GLY A 83 10.265 -8.340 -12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.417 -8.525 -13.885 1.00 0.00 H new ATOM 1306 N SER A 84 9.215 -5.857 -14.297 1.00 0.00 N ATOM 1307 CA SER A 84 9.566 -4.529 -14.791 1.00 0.00 C ATOM 1308 C SER A 84 9.768 -3.554 -13.635 1.00 0.00 C ATOM 1309 O SER A 84 8.978 -3.521 -12.693 1.00 0.00 O ATOM 1310 CB SER A 84 8.479 -4.007 -15.731 1.00 0.00 C ATOM 1311 OG SER A 84 9.037 -3.236 -16.779 1.00 0.00 O ATOM 0 H SER A 84 8.336 -6.223 -14.662 1.00 0.00 H new ATOM 0 HA SER A 84 10.503 -4.610 -15.342 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.922 -4.846 -16.149 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.768 -3.401 -15.169 1.00 0.00 H new ATOM 0 HG SER A 84 8.321 -2.916 -17.367 1.00 0.00 H new ATOM 1317 N VAL A 85 10.832 -2.762 -13.716 1.00 0.00 N ATOM 1318 CA VAL A 85 11.139 -1.785 -12.678 1.00 0.00 C ATOM 1319 C VAL A 85 10.858 -0.359 -13.147 1.00 0.00 C ATOM 1320 O VAL A 85 10.926 0.584 -12.359 1.00 0.00 O ATOM 1321 CB VAL A 85 12.611 -1.885 -12.233 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.882 -3.227 -11.574 1.00 0.00 C ATOM 1323 CG2 VAL A 85 13.542 -1.665 -13.416 1.00 0.00 C ATOM 0 H VAL A 85 11.496 -2.778 -14.490 1.00 0.00 H new ATOM 0 HA VAL A 85 10.490 -2.015 -11.833 1.00 0.00 H new ATOM 0 HB VAL A 85 12.802 -1.103 -11.498 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.927 -3.277 -11.267 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.241 -3.339 -10.699 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.673 -4.029 -12.282 1.00 0.00 H new ATOM 0 HG21 VAL A 85 14.577 -1.739 -13.083 1.00 0.00 H new ATOM 0 HG22 VAL A 85 13.350 -2.423 -14.176 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.367 -0.675 -13.838 1.00 0.00 H new ATOM 1333 N ASP A 86 10.545 -0.203 -14.432 1.00 0.00 N ATOM 1334 CA ASP A 86 10.261 1.113 -14.992 1.00 0.00 C ATOM 1335 C ASP A 86 9.017 1.726 -14.356 1.00 0.00 C ATOM 1336 O ASP A 86 8.884 2.947 -14.287 1.00 0.00 O ATOM 1337 CB ASP A 86 10.079 1.018 -16.507 1.00 0.00 C ATOM 1338 CG ASP A 86 9.864 2.374 -17.151 1.00 0.00 C ATOM 1339 OD1 ASP A 86 8.731 2.894 -17.075 1.00 0.00 O ATOM 1340 OD2 ASP A 86 10.828 2.916 -17.730 1.00 0.00 O ATOM 0 H ASP A 86 10.482 -0.970 -15.102 1.00 0.00 H new ATOM 0 HA ASP A 86 11.111 1.760 -14.774 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.957 0.546 -16.947 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.227 0.375 -16.728 1.00 0.00 H new ATOM 1345 N THR A 87 8.110 0.876 -13.882 1.00 0.00 N ATOM 1346 CA THR A 87 6.889 1.352 -13.244 1.00 0.00 C ATOM 1347 C THR A 87 7.187 1.815 -11.824 1.00 0.00 C ATOM 1348 O THR A 87 6.592 2.773 -11.332 1.00 0.00 O ATOM 1349 CB THR A 87 5.808 0.261 -13.251 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.516 0.840 -13.300 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.848 -0.660 -12.047 1.00 0.00 C ATOM 0 H THR A 87 8.197 -0.139 -13.928 1.00 0.00 H new ATOM 0 HA THR A 87 6.507 2.201 -13.812 1.00 0.00 H new ATOM 0 HB THR A 87 6.019 -0.334 -14.139 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.840 0.131 -13.306 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.053 -1.401 -12.129 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.813 -1.166 -12.008 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.707 -0.076 -11.137 1.00 0.00 H new ATOM 1359 N ALA A 88 8.130 1.136 -11.180 1.00 0.00 N ATOM 1360 CA ALA A 88 8.530 1.486 -9.827 1.00 0.00 C ATOM 1361 C ALA A 88 9.054 2.911 -9.792 1.00 0.00 C ATOM 1362 O ALA A 88 8.540 3.763 -9.066 1.00 0.00 O ATOM 1363 CB ALA A 88 9.597 0.527 -9.329 1.00 0.00 C ATOM 0 H ALA A 88 8.630 0.340 -11.576 1.00 0.00 H new ATOM 0 HA ALA A 88 7.660 1.412 -9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.887 0.801 -8.315 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.203 -0.489 -9.332 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.468 0.580 -9.983 1.00 0.00 H new ATOM 1369 N VAL A 89 10.080 3.159 -10.595 1.00 0.00 N ATOM 1370 CA VAL A 89 10.684 4.479 -10.679 1.00 0.00 C ATOM 1371 C VAL A 89 9.645 5.532 -11.060 1.00 0.00 C ATOM 1372 O VAL A 89 9.820 6.718 -10.784 1.00 0.00 O ATOM 1373 CB VAL A 89 11.838 4.506 -11.705 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.892 3.468 -11.350 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.315 4.279 -13.118 1.00 0.00 C ATOM 0 H VAL A 89 10.512 2.460 -11.199 1.00 0.00 H new ATOM 0 HA VAL A 89 11.085 4.711 -9.692 1.00 0.00 H new ATOM 0 HB VAL A 89 12.300 5.493 -11.671 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.697 3.501 -12.084 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.294 3.682 -10.360 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.441 2.476 -11.352 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.147 4.303 -13.822 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.821 3.309 -13.172 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.602 5.063 -13.372 1.00 0.00 H new ATOM 1385 N LYS A 90 8.559 5.089 -11.693 1.00 0.00 N ATOM 1386 CA LYS A 90 7.492 5.994 -12.105 1.00 0.00 C ATOM 1387 C LYS A 90 6.565 6.328 -10.934 1.00 0.00 C ATOM 1388 O LYS A 90 5.572 7.035 -11.103 1.00 0.00 O ATOM 1389 CB LYS A 90 6.688 5.371 -13.248 1.00 0.00 C ATOM 1390 CG LYS A 90 5.523 6.226 -13.715 1.00 0.00 C ATOM 1391 CD LYS A 90 4.960 5.731 -15.038 1.00 0.00 C ATOM 1392 CE LYS A 90 5.728 6.302 -16.219 1.00 0.00 C ATOM 1393 NZ LYS A 90 6.698 5.320 -16.778 1.00 0.00 N ATOM 0 H LYS A 90 8.397 4.110 -11.930 1.00 0.00 H new ATOM 0 HA LYS A 90 7.950 6.921 -12.449 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.354 5.189 -14.091 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.309 4.401 -12.926 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.738 6.217 -12.959 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.850 7.260 -13.822 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.002 4.642 -15.068 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.910 6.012 -15.116 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.026 6.602 -16.997 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.260 7.200 -15.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.832 5.503 -17.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.609 5.414 -16.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.331 4.356 -16.646 1.00 0.00 H new ATOM 1407 N ALA A 91 6.887 5.815 -9.747 1.00 0.00 N ATOM 1408 CA ALA A 91 6.071 6.064 -8.566 1.00 0.00 C ATOM 1409 C ALA A 91 6.929 6.331 -7.330 1.00 0.00 C ATOM 1410 O ALA A 91 6.605 7.196 -6.517 1.00 0.00 O ATOM 1411 CB ALA A 91 5.144 4.885 -8.315 1.00 0.00 C ATOM 0 H ALA A 91 7.704 5.227 -9.581 1.00 0.00 H new ATOM 0 HA ALA A 91 5.477 6.958 -8.755 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.538 5.080 -7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.492 4.745 -9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.736 3.984 -8.157 1.00 0.00 H new ATOM 1417 N ILE A 92 8.014 5.576 -7.184 1.00 0.00 N ATOM 1418 CA ILE A 92 8.898 5.732 -6.033 1.00 0.00 C ATOM 1419 C ILE A 92 9.689 7.038 -6.099 1.00 0.00 C ATOM 1420 O ILE A 92 10.115 7.564 -5.072 1.00 0.00 O ATOM 1421 CB ILE A 92 9.865 4.531 -5.885 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.124 4.718 -6.740 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.157 3.235 -6.266 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.034 3.508 -6.750 1.00 0.00 C ATOM 0 H ILE A 92 8.301 4.854 -7.844 1.00 0.00 H new ATOM 0 HA ILE A 92 8.257 5.765 -5.152 1.00 0.00 H new ATOM 0 HB ILE A 92 10.174 4.476 -4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.827 4.948 -7.763 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.681 5.578 -6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.847 2.398 -6.158 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.298 3.084 -5.612 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.819 3.295 -7.301 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.904 3.712 -7.375 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.360 3.290 -5.733 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.494 2.650 -7.150 1.00 0.00 H new ATOM 1436 N LYS A 93 9.877 7.560 -7.307 1.00 0.00 N ATOM 1437 CA LYS A 93 10.612 8.808 -7.486 1.00 0.00 C ATOM 1438 C LYS A 93 9.789 9.991 -6.988 1.00 0.00 C ATOM 1439 O LYS A 93 10.330 10.950 -6.437 1.00 0.00 O ATOM 1440 CB LYS A 93 10.980 9.009 -8.957 1.00 0.00 C ATOM 1441 CG LYS A 93 12.393 8.563 -9.297 1.00 0.00 C ATOM 1442 CD LYS A 93 13.426 9.563 -8.800 1.00 0.00 C ATOM 1443 CE LYS A 93 14.578 8.869 -8.088 1.00 0.00 C ATOM 1444 NZ LYS A 93 15.281 7.902 -8.976 1.00 0.00 N ATOM 0 H LYS A 93 9.533 7.142 -8.171 1.00 0.00 H new ATOM 0 HA LYS A 93 11.529 8.748 -6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.274 8.457 -9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.870 10.064 -9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.585 7.587 -8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.489 8.445 -10.376 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.811 10.138 -9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.951 10.271 -8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.287 9.616 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.199 8.346 -7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.155 7.578 -8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.663 7.086 -9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.517 8.366 -9.876 1.00 0.00 H new ATOM 1458 N LYS A 94 8.476 9.914 -7.183 1.00 0.00 N ATOM 1459 CA LYS A 94 7.576 10.976 -6.751 1.00 0.00 C ATOM 1460 C LYS A 94 7.673 11.185 -5.245 1.00 0.00 C ATOM 1461 O LYS A 94 8.005 12.276 -4.780 1.00 0.00 O ATOM 1462 CB LYS A 94 6.134 10.642 -7.139 1.00 0.00 C ATOM 1463 CG LYS A 94 5.946 10.392 -8.628 1.00 0.00 C ATOM 1464 CD LYS A 94 4.869 11.292 -9.216 1.00 0.00 C ATOM 1465 CE LYS A 94 5.475 12.478 -9.948 1.00 0.00 C ATOM 1466 NZ LYS A 94 5.781 13.605 -9.023 1.00 0.00 N ATOM 0 H LYS A 94 8.013 9.127 -7.637 1.00 0.00 H new ATOM 0 HA LYS A 94 7.873 11.898 -7.250 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.814 9.758 -6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.485 11.462 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.888 10.564 -9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.678 9.348 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.248 10.717 -9.903 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.216 11.649 -8.419 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.389 12.165 -10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.785 12.819 -10.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.193 14.394 -9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.905 13.922 -8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.459 13.287 -8.301 1.00 0.00 H new ATOM 1480 N GLY A 95 7.384 10.133 -4.486 1.00 0.00 N ATOM 1481 CA GLY A 95 7.450 10.225 -3.039 1.00 0.00 C ATOM 1482 C GLY A 95 7.032 8.943 -2.344 1.00 0.00 C ATOM 1483 O GLY A 95 6.486 8.981 -1.242 1.00 0.00 O ATOM 0 H GLY A 95 7.106 9.220 -4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.468 10.477 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.809 11.040 -2.703 1.00 0.00 H new ATOM 1487 N ALA A 96 7.291 7.803 -2.980 1.00 0.00 N ATOM 1488 CA ALA A 96 6.936 6.514 -2.398 1.00 0.00 C ATOM 1489 C ALA A 96 8.080 5.967 -1.552 1.00 0.00 C ATOM 1490 O ALA A 96 9.120 6.609 -1.409 1.00 0.00 O ATOM 1491 CB ALA A 96 6.552 5.519 -3.486 1.00 0.00 C ATOM 0 H ALA A 96 7.743 7.747 -3.893 1.00 0.00 H new ATOM 0 HA ALA A 96 6.073 6.663 -1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.291 4.564 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.697 5.901 -4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.394 5.379 -4.164 1.00 0.00 H new ATOM 1497 N TYR A 97 7.882 4.780 -0.989 1.00 0.00 N ATOM 1498 CA TYR A 97 8.898 4.153 -0.153 1.00 0.00 C ATOM 1499 C TYR A 97 9.658 3.075 -0.915 1.00 0.00 C ATOM 1500 O TYR A 97 10.161 2.121 -0.324 1.00 0.00 O ATOM 1501 CB TYR A 97 8.253 3.548 1.087 1.00 0.00 C ATOM 1502 CG TYR A 97 9.233 3.250 2.198 1.00 0.00 C ATOM 1503 CD1 TYR A 97 9.938 4.272 2.820 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.451 1.947 2.624 1.00 0.00 C ATOM 1505 CE1 TYR A 97 10.835 4.003 3.837 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.345 1.670 3.641 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.034 2.701 4.244 1.00 0.00 C ATOM 1508 OH TYR A 97 11.926 2.428 5.256 1.00 0.00 O ATOM 0 H TYR A 97 7.028 4.233 -1.097 1.00 0.00 H new ATOM 0 HA TYR A 97 9.609 4.924 0.144 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.492 4.233 1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.743 2.626 0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.783 5.293 2.504 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.914 1.137 2.153 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.377 4.809 4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.503 0.651 3.962 1.00 0.00 H new ATOM 0 HH TYR A 97 11.581 1.695 5.808 1.00 0.00 H new ATOM 1518 N GLU A 98 9.736 3.241 -2.228 1.00 0.00 N ATOM 1519 CA GLU A 98 10.434 2.291 -3.093 1.00 0.00 C ATOM 1520 C GLU A 98 9.585 1.046 -3.334 1.00 0.00 C ATOM 1521 O GLU A 98 8.759 0.673 -2.501 1.00 0.00 O ATOM 1522 CB GLU A 98 11.804 1.917 -2.498 1.00 0.00 C ATOM 1523 CG GLU A 98 11.850 0.559 -1.804 1.00 0.00 C ATOM 1524 CD GLU A 98 12.886 0.505 -0.699 1.00 0.00 C ATOM 1525 OE1 GLU A 98 14.069 0.243 -1.007 1.00 0.00 O ATOM 1526 OE2 GLU A 98 12.517 0.725 0.473 1.00 0.00 O ATOM 0 H GLU A 98 9.322 4.030 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 98 10.603 2.772 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.546 1.927 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.096 2.685 -1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.868 0.334 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.069 -0.214 -2.540 1.00 0.00 H new ATOM 1533 N PHE A 99 9.795 0.410 -4.480 1.00 0.00 N ATOM 1534 CA PHE A 99 9.053 -0.792 -4.837 1.00 0.00 C ATOM 1535 C PHE A 99 9.538 -1.993 -4.033 1.00 0.00 C ATOM 1536 O PHE A 99 10.738 -2.168 -3.820 1.00 0.00 O ATOM 1537 CB PHE A 99 9.196 -1.072 -6.335 1.00 0.00 C ATOM 1538 CG PHE A 99 7.948 -0.789 -7.125 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.165 0.318 -6.839 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.561 -1.632 -8.154 1.00 0.00 C ATOM 1541 CE1 PHE A 99 6.019 0.579 -7.565 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.416 -1.376 -8.884 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.644 -0.269 -8.589 1.00 0.00 C ATOM 0 H PHE A 99 10.475 0.708 -5.179 1.00 0.00 H new ATOM 0 HA PHE A 99 8.002 -0.626 -4.602 1.00 0.00 H new ATOM 0 HB2 PHE A 99 10.012 -0.468 -6.732 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.475 -2.116 -6.475 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.454 0.984 -6.040 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.161 -2.499 -8.388 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.417 1.445 -7.332 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.125 -2.040 -9.684 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.749 -0.067 -9.158 1.00 0.00 H new ATOM 1553 N LEU A 100 8.596 -2.819 -3.592 1.00 0.00 N ATOM 1554 CA LEU A 100 8.920 -4.005 -2.815 1.00 0.00 C ATOM 1555 C LEU A 100 9.296 -5.163 -3.736 1.00 0.00 C ATOM 1556 O LEU A 100 8.432 -5.918 -4.186 1.00 0.00 O ATOM 1557 CB LEU A 100 7.730 -4.394 -1.934 1.00 0.00 C ATOM 1558 CG LEU A 100 8.071 -5.235 -0.704 1.00 0.00 C ATOM 1559 CD1 LEU A 100 8.991 -6.384 -1.080 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.708 -4.369 0.373 1.00 0.00 C ATOM 0 H LEU A 100 7.599 -2.687 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 100 9.775 -3.781 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.232 -3.483 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.014 -4.946 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 100 7.147 -5.654 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.222 -6.971 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.498 -7.019 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.914 -5.988 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.944 -4.984 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.623 -3.921 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.013 -3.581 0.664 1.00 0.00 H new ATOM 1572 N GLU A 101 10.588 -5.295 -4.014 1.00 0.00 N ATOM 1573 CA GLU A 101 11.081 -6.357 -4.884 1.00 0.00 C ATOM 1574 C GLU A 101 10.791 -7.731 -4.290 1.00 0.00 C ATOM 1575 O GLU A 101 10.665 -7.880 -3.076 1.00 0.00 O ATOM 1576 CB GLU A 101 12.585 -6.196 -5.115 1.00 0.00 C ATOM 1577 CG GLU A 101 12.980 -4.821 -5.627 1.00 0.00 C ATOM 1578 CD GLU A 101 12.442 -4.540 -7.017 1.00 0.00 C ATOM 1579 OE1 GLU A 101 13.018 -5.065 -7.993 1.00 0.00 O ATOM 1580 OE2 GLU A 101 11.446 -3.795 -7.130 1.00 0.00 O ATOM 0 H GLU A 101 11.314 -4.679 -3.649 1.00 0.00 H new ATOM 0 HA GLU A 101 10.561 -6.279 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.110 -6.391 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.917 -6.949 -5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.611 -4.061 -4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.067 -4.740 -5.639 1.00 0.00 H new ATOM 1587 N LYS A 102 10.690 -8.733 -5.158 1.00 0.00 N ATOM 1588 CA LYS A 102 10.419 -10.099 -4.725 1.00 0.00 C ATOM 1589 C LYS A 102 9.079 -10.186 -3.992 1.00 0.00 C ATOM 1590 O LYS A 102 9.035 -10.347 -2.773 1.00 0.00 O ATOM 1591 CB LYS A 102 11.550 -10.602 -3.823 1.00 0.00 C ATOM 1592 CG LYS A 102 12.113 -11.949 -4.249 1.00 0.00 C ATOM 1593 CD LYS A 102 13.559 -11.834 -4.705 1.00 0.00 C ATOM 1594 CE LYS A 102 14.007 -13.078 -5.455 1.00 0.00 C ATOM 1595 NZ LYS A 102 14.120 -14.257 -4.553 1.00 0.00 N ATOM 0 H LYS A 102 10.792 -8.624 -6.167 1.00 0.00 H new ATOM 0 HA LYS A 102 10.363 -10.732 -5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 102 12.354 -9.866 -3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.181 -10.678 -2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.048 -12.650 -3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.507 -12.357 -5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.671 -10.961 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.203 -11.678 -3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.297 -13.297 -6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.970 -12.889 -5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.428 -15.085 -5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.816 -14.058 -3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.195 -14.453 -4.120 1.00 0.00 H new ATOM 1609 N PRO A 103 7.962 -10.079 -4.734 1.00 0.00 N ATOM 1610 CA PRO A 103 6.621 -10.146 -4.153 1.00 0.00 C ATOM 1611 C PRO A 103 6.183 -11.579 -3.865 1.00 0.00 C ATOM 1612 O PRO A 103 5.150 -12.035 -4.356 1.00 0.00 O ATOM 1613 CB PRO A 103 5.748 -9.527 -5.243 1.00 0.00 C ATOM 1614 CG PRO A 103 6.447 -9.864 -6.515 1.00 0.00 C ATOM 1615 CD PRO A 103 7.921 -9.883 -6.197 1.00 0.00 C ATOM 0 HA PRO A 103 6.560 -9.637 -3.191 1.00 0.00 H new ATOM 0 HB2 PRO A 103 4.738 -9.937 -5.224 1.00 0.00 H new ATOM 0 HB3 PRO A 103 5.656 -8.449 -5.114 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.119 -10.832 -6.894 1.00 0.00 H new ATOM 0 HG3 PRO A 103 6.225 -9.127 -7.287 1.00 0.00 H new ATOM 0 HD2 PRO A 103 8.434 -10.688 -6.723 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.406 -8.952 -6.490 1.00 0.00 H new ATOM 1623 N PHE A 104 6.976 -12.287 -3.065 1.00 0.00 N ATOM 1624 CA PHE A 104 6.669 -13.669 -2.712 1.00 0.00 C ATOM 1625 C PHE A 104 6.069 -13.753 -1.313 1.00 0.00 C ATOM 1626 O PHE A 104 6.774 -13.606 -0.315 1.00 0.00 O ATOM 1627 CB PHE A 104 7.930 -14.530 -2.793 1.00 0.00 C ATOM 1628 CG PHE A 104 8.300 -14.924 -4.194 1.00 0.00 C ATOM 1629 CD1 PHE A 104 8.460 -13.963 -5.179 1.00 0.00 C ATOM 1630 CD2 PHE A 104 8.488 -16.257 -4.527 1.00 0.00 C ATOM 1631 CE1 PHE A 104 8.800 -14.323 -6.469 1.00 0.00 C ATOM 1632 CE2 PHE A 104 8.827 -16.623 -5.815 1.00 0.00 C ATOM 1633 CZ PHE A 104 8.984 -15.654 -6.788 1.00 0.00 C ATOM 0 H PHE A 104 7.835 -11.926 -2.650 1.00 0.00 H new ATOM 0 HA PHE A 104 5.935 -14.045 -3.424 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.761 -13.985 -2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.783 -15.431 -2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.317 -12.920 -4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 104 8.368 -17.018 -3.770 1.00 0.00 H new ATOM 0 HE1 PHE A 104 8.922 -13.564 -7.227 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.969 -17.665 -6.061 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.250 -15.937 -7.796 1.00 0.00 H new ATOM 1643 N SER A 105 4.762 -13.987 -1.246 1.00 0.00 N ATOM 1644 CA SER A 105 4.065 -14.088 0.032 1.00 0.00 C ATOM 1645 C SER A 105 4.268 -12.826 0.867 1.00 0.00 C ATOM 1646 O SER A 105 4.163 -12.861 2.093 1.00 0.00 O ATOM 1647 CB SER A 105 4.557 -15.311 0.808 1.00 0.00 C ATOM 1648 OG SER A 105 3.913 -15.409 2.067 1.00 0.00 O ATOM 0 H SER A 105 4.164 -14.110 -2.063 1.00 0.00 H new ATOM 0 HA SER A 105 3.000 -14.198 -0.172 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.368 -16.214 0.228 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.635 -15.245 0.952 1.00 0.00 H new ATOM 0 HG SER A 105 4.064 -14.586 2.577 1.00 0.00 H new ATOM 1654 N VAL A 106 4.559 -11.715 0.189 1.00 0.00 N ATOM 1655 CA VAL A 106 4.781 -10.427 0.851 1.00 0.00 C ATOM 1656 C VAL A 106 5.578 -10.578 2.148 1.00 0.00 C ATOM 1657 O VAL A 106 5.356 -9.843 3.113 1.00 0.00 O ATOM 1658 CB VAL A 106 3.445 -9.696 1.140 1.00 0.00 C ATOM 1659 CG1 VAL A 106 2.508 -9.796 -0.053 1.00 0.00 C ATOM 1660 CG2 VAL A 106 2.765 -10.238 2.391 1.00 0.00 C ATOM 0 H VAL A 106 4.647 -11.681 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 106 5.367 -9.824 0.157 1.00 0.00 H new ATOM 0 HB VAL A 106 3.681 -8.647 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.577 -9.276 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.978 -9.339 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.297 -10.845 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.832 -9.700 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.554 -11.299 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.422 -10.103 3.250 1.00 0.00 H new ATOM 1670 N GLU A 107 6.523 -11.515 2.163 1.00 0.00 N ATOM 1671 CA GLU A 107 7.353 -11.730 3.337 1.00 0.00 C ATOM 1672 C GLU A 107 8.320 -10.568 3.503 1.00 0.00 C ATOM 1673 O GLU A 107 8.404 -9.962 4.571 1.00 0.00 O ATOM 1674 CB GLU A 107 8.117 -13.043 3.212 1.00 0.00 C ATOM 1675 CG GLU A 107 8.288 -13.774 4.532 1.00 0.00 C ATOM 1676 CD GLU A 107 9.136 -15.023 4.400 1.00 0.00 C ATOM 1677 OE1 GLU A 107 10.294 -14.911 3.946 1.00 0.00 O ATOM 1678 OE2 GLU A 107 8.642 -16.116 4.752 1.00 0.00 O ATOM 0 H GLU A 107 6.730 -12.133 1.378 1.00 0.00 H new ATOM 0 HA GLU A 107 6.714 -11.787 4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.593 -13.693 2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.101 -12.843 2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.747 -13.103 5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.307 -14.045 4.923 1.00 0.00 H new ATOM 1685 N ARG A 108 9.028 -10.243 2.425 1.00 0.00 N ATOM 1686 CA ARG A 108 9.965 -9.130 2.441 1.00 0.00 C ATOM 1687 C ARG A 108 9.210 -7.836 2.722 1.00 0.00 C ATOM 1688 O ARG A 108 9.747 -6.904 3.321 1.00 0.00 O ATOM 1689 CB ARG A 108 10.706 -9.033 1.106 1.00 0.00 C ATOM 1690 CG ARG A 108 11.891 -8.082 1.134 1.00 0.00 C ATOM 1691 CD ARG A 108 13.168 -8.796 1.549 1.00 0.00 C ATOM 1692 NE ARG A 108 14.336 -7.923 1.466 1.00 0.00 N ATOM 1693 CZ ARG A 108 15.490 -8.168 2.082 1.00 0.00 C ATOM 1694 NH1 ARG A 108 15.637 -9.259 2.822 1.00 0.00 N ATOM 1695 NH2 ARG A 108 16.502 -7.321 1.955 1.00 0.00 N ATOM 0 H ARG A 108 8.969 -10.734 1.533 1.00 0.00 H new ATOM 0 HA ARG A 108 10.701 -9.296 3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.054 -10.026 0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.007 -8.707 0.335 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.025 -7.637 0.148 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.688 -7.266 1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.062 -9.164 2.570 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.320 -9.666 0.911 1.00 0.00 H new ATOM 0 HE ARG A 108 14.263 -7.076 0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.863 -9.916 2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 108 16.524 -9.441 3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.396 -6.482 1.385 1.00 0.00 H new ATOM 0 HH22 ARG A 108 17.386 -7.509 2.427 1.00 0.00 H new ATOM 1709 N PHE A 109 7.947 -7.804 2.301 1.00 0.00 N ATOM 1710 CA PHE A 109 7.090 -6.647 2.519 1.00 0.00 C ATOM 1711 C PHE A 109 6.910 -6.415 4.015 1.00 0.00 C ATOM 1712 O PHE A 109 6.930 -5.279 4.489 1.00 0.00 O ATOM 1713 CB PHE A 109 5.730 -6.870 1.841 1.00 0.00 C ATOM 1714 CG PHE A 109 4.634 -5.974 2.349 1.00 0.00 C ATOM 1715 CD1 PHE A 109 4.641 -4.619 2.065 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.596 -6.491 3.111 1.00 0.00 C ATOM 1717 CE1 PHE A 109 3.635 -3.794 2.531 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.589 -5.670 3.580 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.608 -4.320 3.289 1.00 0.00 C ATOM 0 H PHE A 109 7.495 -8.572 1.805 1.00 0.00 H new ATOM 0 HA PHE A 109 7.555 -5.764 2.081 1.00 0.00 H new ATOM 0 HB2 PHE A 109 5.842 -6.716 0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.431 -7.908 1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 109 5.442 -4.202 1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.575 -7.546 3.340 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.652 -2.739 2.302 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.787 -6.083 4.174 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.821 -3.677 3.654 1.00 0.00 H new ATOM 1729 N LEU A 110 6.743 -7.510 4.751 1.00 0.00 N ATOM 1730 CA LEU A 110 6.568 -7.449 6.196 1.00 0.00 C ATOM 1731 C LEU A 110 7.710 -6.685 6.860 1.00 0.00 C ATOM 1732 O LEU A 110 7.482 -5.796 7.680 1.00 0.00 O ATOM 1733 CB LEU A 110 6.483 -8.858 6.764 1.00 0.00 C ATOM 1734 CG LEU A 110 5.121 -9.238 7.339 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.193 -10.602 7.996 1.00 0.00 C ATOM 1736 CD2 LEU A 110 4.646 -8.189 8.333 1.00 0.00 C ATOM 0 H LEU A 110 6.725 -8.455 4.366 1.00 0.00 H new ATOM 0 HA LEU A 110 5.641 -6.916 6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.740 -9.567 5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.234 -8.965 7.547 1.00 0.00 H new ATOM 0 HG LEU A 110 4.400 -9.282 6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.216 -10.862 8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.489 -11.347 7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.927 -10.579 8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.674 -8.479 8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.364 -8.110 9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.560 -7.225 7.831 1.00 0.00 H new ATOM 1748 N LEU A 111 8.940 -7.041 6.499 1.00 0.00 N ATOM 1749 CA LEU A 111 10.123 -6.395 7.059 1.00 0.00 C ATOM 1750 C LEU A 111 10.119 -4.898 6.767 1.00 0.00 C ATOM 1751 O LEU A 111 10.300 -4.080 7.669 1.00 0.00 O ATOM 1752 CB LEU A 111 11.392 -7.033 6.497 1.00 0.00 C ATOM 1753 CG LEU A 111 11.665 -8.461 6.972 1.00 0.00 C ATOM 1754 CD1 LEU A 111 10.835 -9.457 6.177 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.147 -8.785 6.856 1.00 0.00 C ATOM 0 H LEU A 111 9.143 -7.775 5.820 1.00 0.00 H new ATOM 0 HA LEU A 111 10.103 -6.534 8.140 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.328 -7.035 5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.244 -6.408 6.765 1.00 0.00 H new ATOM 0 HG LEU A 111 11.377 -8.537 8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.043 -10.467 6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.776 -9.237 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.090 -9.382 5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.324 -9.805 7.198 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.460 -8.692 5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.720 -8.091 7.471 1.00 0.00 H new ATOM 1767 N THR A 112 9.912 -4.545 5.503 1.00 0.00 N ATOM 1768 CA THR A 112 9.883 -3.145 5.096 1.00 0.00 C ATOM 1769 C THR A 112 8.754 -2.402 5.801 1.00 0.00 C ATOM 1770 O THR A 112 8.898 -1.240 6.179 1.00 0.00 O ATOM 1771 CB THR A 112 9.711 -3.042 3.578 1.00 0.00 C ATOM 1772 OG1 THR A 112 10.802 -3.648 2.908 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.603 -1.616 3.081 1.00 0.00 C ATOM 0 H THR A 112 9.762 -5.209 4.743 1.00 0.00 H new ATOM 0 HA THR A 112 10.829 -2.685 5.380 1.00 0.00 H new ATOM 0 HB THR A 112 8.776 -3.557 3.359 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.757 -3.437 1.952 1.00 0.00 H new ATOM 0 HG21 THR A 112 9.483 -1.616 1.998 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.740 -1.135 3.541 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.508 -1.069 3.346 1.00 0.00 H new ATOM 1781 N ILE A 113 7.628 -3.086 5.971 1.00 0.00 N ATOM 1782 CA ILE A 113 6.463 -2.504 6.628 1.00 0.00 C ATOM 1783 C ILE A 113 6.811 -1.985 8.020 1.00 0.00 C ATOM 1784 O ILE A 113 6.547 -0.828 8.343 1.00 0.00 O ATOM 1785 CB ILE A 113 5.312 -3.533 6.725 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.419 -3.442 5.487 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.491 -3.325 7.992 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.769 -2.088 5.307 1.00 0.00 C ATOM 0 H ILE A 113 7.497 -4.049 5.661 1.00 0.00 H new ATOM 0 HA ILE A 113 6.134 -1.662 6.018 1.00 0.00 H new ATOM 0 HB ILE A 113 5.750 -4.530 6.772 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.014 -3.671 4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.641 -4.203 5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.690 -4.063 8.032 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.134 -3.440 8.865 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.061 -2.323 7.987 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.151 -2.098 4.409 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.147 -1.865 6.174 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.540 -1.324 5.208 1.00 0.00 H new ATOM 1800 N LYS A 114 7.407 -2.845 8.841 1.00 0.00 N ATOM 1801 CA LYS A 114 7.787 -2.460 10.192 1.00 0.00 C ATOM 1802 C LYS A 114 8.558 -1.151 10.158 1.00 0.00 C ATOM 1803 O LYS A 114 8.145 -0.155 10.752 1.00 0.00 O ATOM 1804 CB LYS A 114 8.633 -3.554 10.841 1.00 0.00 C ATOM 1805 CG LYS A 114 8.722 -3.435 12.355 1.00 0.00 C ATOM 1806 CD LYS A 114 9.784 -2.429 12.776 1.00 0.00 C ATOM 1807 CE LYS A 114 9.217 -1.383 13.722 1.00 0.00 C ATOM 1808 NZ LYS A 114 8.689 -1.995 14.973 1.00 0.00 N ATOM 0 H LYS A 114 7.635 -3.808 8.594 1.00 0.00 H new ATOM 0 HA LYS A 114 6.883 -2.325 10.786 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.213 -4.527 10.585 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.639 -3.521 10.422 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.754 -3.132 12.754 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.953 -4.410 12.784 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.609 -2.951 13.261 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.193 -1.939 11.892 1.00 0.00 H new ATOM 0 HE2 LYS A 114 9.993 -0.660 13.971 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.419 -0.835 13.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.672 -1.793 15.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.836 -3.024 14.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.190 -1.596 15.793 1.00 0.00 H new ATOM 1822 N HIS A 115 9.679 -1.163 9.451 1.00 0.00 N ATOM 1823 CA HIS A 115 10.515 0.023 9.324 1.00 0.00 C ATOM 1824 C HIS A 115 9.731 1.182 8.715 1.00 0.00 C ATOM 1825 O HIS A 115 10.050 2.348 8.950 1.00 0.00 O ATOM 1826 CB HIS A 115 11.741 -0.285 8.465 1.00 0.00 C ATOM 1827 CG HIS A 115 12.744 0.826 8.430 1.00 0.00 C ATOM 1828 ND1 HIS A 115 13.434 1.365 7.397 1.00 0.00 N flip ATOM 1829 CD2 HIS A 115 13.142 1.517 9.555 1.00 0.00 C flip ATOM 1830 CE1 HIS A 115 14.227 2.360 7.911 1.00 0.00 C flip ATOM 1831 NE2 HIS A 115 14.031 2.433 9.215 1.00 0.00 N flip ATOM 0 H HIS A 115 10.031 -1.982 8.956 1.00 0.00 H new ATOM 0 HA HIS A 115 10.841 0.316 10.322 1.00 0.00 H new ATOM 0 HB2 HIS A 115 12.223 -1.186 8.844 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.416 -0.502 7.447 1.00 0.00 H new ATOM 0 HD1 HIS A 115 13.375 1.084 6.418 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.783 1.337 10.558 1.00 0.00 H new ATOM 0 HE1 HIS A 115 14.902 2.982 7.342 1.00 0.00 H new ATOM 1840 N ALA A 116 8.703 0.859 7.934 1.00 0.00 N ATOM 1841 CA ALA A 116 7.882 1.882 7.301 1.00 0.00 C ATOM 1842 C ALA A 116 7.108 2.683 8.343 1.00 0.00 C ATOM 1843 O ALA A 116 6.943 3.896 8.214 1.00 0.00 O ATOM 1844 CB ALA A 116 6.927 1.246 6.299 1.00 0.00 C ATOM 0 H ALA A 116 8.421 -0.099 7.726 1.00 0.00 H new ATOM 0 HA ALA A 116 8.541 2.569 6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.319 2.022 5.833 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.499 0.724 5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.279 0.537 6.814 1.00 0.00 H new ATOM 1850 N PHE A 117 6.633 1.994 9.375 1.00 0.00 N ATOM 1851 CA PHE A 117 5.873 2.633 10.441 1.00 0.00 C ATOM 1852 C PHE A 117 6.751 3.556 11.283 1.00 0.00 C ATOM 1853 O PHE A 117 6.249 4.443 11.973 1.00 0.00 O ATOM 1854 CB PHE A 117 5.225 1.572 11.329 1.00 0.00 C ATOM 1855 CG PHE A 117 3.895 1.101 10.816 1.00 0.00 C ATOM 1856 CD1 PHE A 117 2.736 1.783 11.143 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.804 -0.019 10.005 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.509 1.359 10.673 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.579 -0.449 9.532 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.430 0.242 9.866 1.00 0.00 C ATOM 0 H PHE A 117 6.762 0.989 9.495 1.00 0.00 H new ATOM 0 HA PHE A 117 5.097 3.243 9.978 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.897 0.718 11.413 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.097 1.977 12.333 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.792 2.658 11.774 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.700 -0.561 9.740 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.612 1.900 10.936 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.520 -1.324 8.902 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.472 -0.091 9.496 1.00 0.00 H new ATOM 1870 N GLU A 118 8.065 3.347 11.226 1.00 0.00 N ATOM 1871 CA GLU A 118 9.002 4.167 11.989 1.00 0.00 C ATOM 1872 C GLU A 118 8.846 5.648 11.649 1.00 0.00 C ATOM 1873 O GLU A 118 9.231 6.516 12.431 1.00 0.00 O ATOM 1874 CB GLU A 118 10.439 3.724 11.725 1.00 0.00 C ATOM 1875 CG GLU A 118 10.787 2.382 12.348 1.00 0.00 C ATOM 1876 CD GLU A 118 11.764 2.508 13.500 1.00 0.00 C ATOM 1877 OE1 GLU A 118 12.975 2.661 13.237 1.00 0.00 O ATOM 1878 OE2 GLU A 118 11.319 2.454 14.667 1.00 0.00 O ATOM 0 H GLU A 118 8.503 2.619 10.661 1.00 0.00 H new ATOM 0 HA GLU A 118 8.775 4.031 13.046 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.601 3.668 10.649 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.121 4.482 12.111 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.874 1.903 12.702 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.214 1.731 11.585 1.00 0.00 H new ATOM 1885 N GLU A 119 8.280 5.931 10.478 1.00 0.00 N ATOM 1886 CA GLU A 119 8.077 7.308 10.042 1.00 0.00 C ATOM 1887 C GLU A 119 6.675 7.797 10.395 1.00 0.00 C ATOM 1888 O GLU A 119 6.117 8.655 9.711 1.00 0.00 O ATOM 1889 CB GLU A 119 8.303 7.425 8.533 1.00 0.00 C ATOM 1890 CG GLU A 119 9.544 6.695 8.044 1.00 0.00 C ATOM 1891 CD GLU A 119 9.599 6.590 6.534 1.00 0.00 C ATOM 1892 OE1 GLU A 119 9.123 7.524 5.854 1.00 0.00 O ATOM 1893 OE2 GLU A 119 10.118 5.572 6.028 1.00 0.00 O ATOM 0 H GLU A 119 7.955 5.226 9.816 1.00 0.00 H new ATOM 0 HA GLU A 119 8.800 7.935 10.564 1.00 0.00 H new ATOM 0 HB2 GLU A 119 7.431 7.030 8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 119 8.383 8.479 8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.432 7.216 8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.566 5.694 8.475 1.00 0.00 H new ATOM 1900 N TYR A 120 6.110 7.248 11.465 1.00 0.00 N ATOM 1901 CA TYR A 120 4.774 7.632 11.907 1.00 0.00 C ATOM 1902 C TYR A 120 4.825 8.302 13.276 1.00 0.00 C ATOM 1903 O TYR A 120 3.864 8.242 14.044 1.00 0.00 O ATOM 1904 CB TYR A 120 3.860 6.406 11.961 1.00 0.00 C ATOM 1905 CG TYR A 120 2.406 6.743 12.203 1.00 0.00 C ATOM 1906 CD1 TYR A 120 1.709 7.564 11.325 1.00 0.00 C ATOM 1907 CD2 TYR A 120 1.731 6.241 13.307 1.00 0.00 C ATOM 1908 CE1 TYR A 120 0.380 7.875 11.542 1.00 0.00 C ATOM 1909 CE2 TYR A 120 0.402 6.546 13.532 1.00 0.00 C ATOM 1910 CZ TYR A 120 -0.268 7.363 12.646 1.00 0.00 C ATOM 1911 OH TYR A 120 -1.591 7.671 12.866 1.00 0.00 O ATOM 0 H TYR A 120 6.556 6.536 12.042 1.00 0.00 H new ATOM 0 HA TYR A 120 4.372 8.346 11.188 1.00 0.00 H new ATOM 0 HB2 TYR A 120 3.946 5.858 11.023 1.00 0.00 H new ATOM 0 HB3 TYR A 120 4.206 5.740 12.752 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.214 7.966 10.459 1.00 0.00 H new ATOM 0 HD2 TYR A 120 2.254 5.601 14.002 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -0.148 8.515 10.851 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -0.108 6.147 14.396 1.00 0.00 H new ATOM 0 HH TYR A 120 -1.898 7.230 13.686 1.00 0.00 H new ATOM 1921 N SER A 121 5.952 8.941 13.577 1.00 0.00 N ATOM 1922 CA SER A 121 6.127 9.622 14.855 1.00 0.00 C ATOM 1923 C SER A 121 5.719 11.088 14.750 1.00 0.00 C ATOM 1924 O SER A 121 4.657 11.411 14.217 1.00 0.00 O ATOM 1925 CB SER A 121 7.582 9.517 15.316 1.00 0.00 C ATOM 1926 OG SER A 121 7.659 9.323 16.717 1.00 0.00 O ATOM 0 H SER A 121 6.757 9.001 12.953 1.00 0.00 H new ATOM 0 HA SER A 121 5.484 9.137 15.589 1.00 0.00 H new ATOM 0 HB2 SER A 121 8.070 8.688 14.803 1.00 0.00 H new ATOM 0 HB3 SER A 121 8.120 10.424 15.041 1.00 0.00 H new ATOM 0 HG SER A 121 8.599 9.257 16.987 1.00 0.00 H new TER 1932 SER A 121