USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 925 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 11 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 MET CE :methyl -142:sc= -0.823 (180deg=-2.65!) USER MOD Set 1.3: A 106 TYR OH : rot -179:sc= -0.239 USER MOD Set 2.1: A 69 ASN : amide:sc= -0.227! K(o=-3.6!,f=-5.7) USER MOD Set 2.2: A 73 TYR OH : rot 85:sc= 0.61 USER MOD Set 2.3: A 90 MET CE :methyl -158:sc= -4.02! (180deg=-5.72!) USER MOD Set 3.1: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 88 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 25 TYR OH : rot 39:sc= 0.485 USER MOD Set 4.2: A 49 HIS : no HD1:sc= -1.97! K(o=-1.5!,f=-6.8) USER MOD Set 5.1: A 36 SER OG : rot 80:sc= -0.994 USER MOD Set 5.2: A 42 SER OG : rot 170:sc= 0 USER MOD Set 6.1: A 32 ASN : amide:sc= -3.48 K(o=-5.9,f=-14!) USER MOD Set 6.2: A 35 THR OG1 : rot 140:sc= -2.41 USER MOD Set 7.1: A 18 CYS SG : rot 160:sc= -1.39 USER MOD Set 7.2: A 22 THR OG1 : rot -58:sc= 0.731 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.032 K(o=0.032,f=-4.9!) USER MOD Single : A 12 GLN : amide:sc= -4.9! C(o=-4.9!,f=-16!) USER MOD Single : A 13 SER OG : rot -112:sc= 0.718 USER MOD Single : A 19 LYS NZ :NH3+ -139:sc= -0.432 (180deg=-2.29!) USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= -0.0511 (180deg=-0.405) USER MOD Single : A 24 ASN : amide:sc= -0.543 K(o=-0.54,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 39 ASN : amide:sc= -0.0146! C(o=-0.015!,f=-8.8!) USER MOD Single : A 44 CYS SG : rot 71:sc= -1.22 USER MOD Single : A 48 HIS : no HD1:sc= -4.52! X(o=-4.5!,f=-4.6) USER MOD Single : A 57 TYR OH : rot 62:sc= -1.13 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -43:sc= 1 USER MOD Single : A 61 ASN : amide:sc= -3.31! C(o=-3.3!,f=-2.7!) USER MOD Single : A 63 GLN : amide:sc= -9.89! C(o=-9.9!,f=-14!) USER MOD Single : A 68 ASN : amide:sc= -0.736 K(o=-0.74,f=-4.7!) USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0515) USER MOD Single : A 71 LYS NZ :NH3+ 145:sc= -2.9! (180deg=-5.85!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 67:sc= 0.865 USER MOD Single : A 104 TYR OH : rot 30:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -1.47 K(o=-1.5,f=-2.2!) USER MOD Single : A 111 HIS : no HD1:sc= -4.01! C(o=-4!,f=-4.2!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.203 -20.333 -16.246 1.00 0.00 N ATOM 2 CA GLY A 1 13.699 -18.995 -16.509 1.00 0.00 C ATOM 3 C GLY A 1 12.659 -18.109 -17.167 1.00 0.00 C ATOM 4 O GLY A 1 12.558 -18.064 -18.392 1.00 0.00 O ATOM 0 H1 GLY A 1 13.951 -20.898 -15.796 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.380 -20.280 -15.612 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.921 -20.781 -17.141 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.020 -18.539 -15.572 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.578 -19.056 -17.151 1.00 0.00 H new ATOM 8 N SER A 2 11.882 -17.405 -16.350 1.00 0.00 N ATOM 9 CA SER A 2 10.840 -16.521 -16.859 1.00 0.00 C ATOM 10 C SER A 2 11.208 -15.059 -16.628 1.00 0.00 C ATOM 11 O SER A 2 11.752 -14.702 -15.583 1.00 0.00 O ATOM 12 CB SER A 2 9.502 -16.835 -16.186 1.00 0.00 C ATOM 13 OG SER A 2 9.022 -18.110 -16.575 1.00 0.00 O ATOM 0 H SER A 2 11.954 -17.430 -15.333 1.00 0.00 H new ATOM 0 HA SER A 2 10.747 -16.689 -17.932 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.620 -16.802 -15.103 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.770 -16.071 -16.450 1.00 0.00 H new ATOM 0 HG SER A 2 8.167 -18.287 -16.130 1.00 0.00 H new ATOM 19 N SER A 3 10.906 -14.217 -17.611 1.00 0.00 N ATOM 20 CA SER A 3 11.208 -12.793 -17.519 1.00 0.00 C ATOM 21 C SER A 3 10.560 -12.180 -16.281 1.00 0.00 C ATOM 22 O SER A 3 9.684 -12.783 -15.662 1.00 0.00 O ATOM 23 CB SER A 3 10.725 -12.065 -18.775 1.00 0.00 C ATOM 24 OG SER A 3 11.531 -12.391 -19.894 1.00 0.00 O ATOM 0 H SER A 3 10.452 -14.496 -18.481 1.00 0.00 H new ATOM 0 HA SER A 3 12.289 -12.680 -17.436 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.688 -12.333 -18.979 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.749 -10.988 -18.607 1.00 0.00 H new ATOM 0 HG SER A 3 11.201 -11.915 -20.685 1.00 0.00 H new ATOM 30 N GLY A 4 10.998 -10.976 -15.926 1.00 0.00 N ATOM 31 CA GLY A 4 10.450 -10.300 -14.764 1.00 0.00 C ATOM 32 C GLY A 4 11.502 -9.525 -13.996 1.00 0.00 C ATOM 33 O GLY A 4 12.255 -8.744 -14.577 1.00 0.00 O ATOM 0 H GLY A 4 11.722 -10.457 -16.422 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.661 -9.619 -15.082 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.990 -11.035 -14.103 1.00 0.00 H new ATOM 37 N SER A 5 11.553 -9.739 -12.685 1.00 0.00 N ATOM 38 CA SER A 5 12.516 -9.049 -11.835 1.00 0.00 C ATOM 39 C SER A 5 12.849 -9.885 -10.603 1.00 0.00 C ATOM 40 O SER A 5 11.972 -10.203 -9.799 1.00 0.00 O ATOM 41 CB SER A 5 11.968 -7.687 -11.408 1.00 0.00 C ATOM 42 OG SER A 5 13.019 -6.795 -11.079 1.00 0.00 O ATOM 0 H SER A 5 10.939 -10.385 -12.189 1.00 0.00 H new ATOM 0 HA SER A 5 13.430 -8.900 -12.410 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.367 -7.265 -12.213 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.309 -7.810 -10.549 1.00 0.00 H new ATOM 0 HG SER A 5 12.643 -5.931 -10.811 1.00 0.00 H new ATOM 48 N SER A 6 14.123 -10.238 -10.461 1.00 0.00 N ATOM 49 CA SER A 6 14.573 -11.040 -9.329 1.00 0.00 C ATOM 50 C SER A 6 15.420 -10.205 -8.374 1.00 0.00 C ATOM 51 O SER A 6 16.112 -9.277 -8.790 1.00 0.00 O ATOM 52 CB SER A 6 15.375 -12.247 -9.819 1.00 0.00 C ATOM 53 OG SER A 6 15.976 -12.934 -8.735 1.00 0.00 O ATOM 0 H SER A 6 14.862 -9.981 -11.116 1.00 0.00 H new ATOM 0 HA SER A 6 13.692 -11.392 -8.792 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.720 -12.926 -10.365 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.145 -11.917 -10.516 1.00 0.00 H new ATOM 0 HG SER A 6 16.481 -13.702 -9.074 1.00 0.00 H new ATOM 59 N GLY A 7 15.360 -10.544 -7.090 1.00 0.00 N ATOM 60 CA GLY A 7 16.126 -9.816 -6.094 1.00 0.00 C ATOM 61 C GLY A 7 15.725 -8.357 -6.007 1.00 0.00 C ATOM 62 O GLY A 7 14.907 -7.868 -6.786 1.00 0.00 O ATOM 0 H GLY A 7 14.795 -11.309 -6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.989 -10.286 -5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.187 -9.884 -6.335 1.00 0.00 H new ATOM 66 N PRO A 8 16.308 -7.636 -5.038 1.00 0.00 N ATOM 67 CA PRO A 8 16.022 -6.214 -4.828 1.00 0.00 C ATOM 68 C PRO A 8 16.576 -5.339 -5.947 1.00 0.00 C ATOM 69 O PRO A 8 17.634 -5.625 -6.505 1.00 0.00 O ATOM 70 CB PRO A 8 16.727 -5.901 -3.506 1.00 0.00 C ATOM 71 CG PRO A 8 17.820 -6.910 -3.412 1.00 0.00 C ATOM 72 CD PRO A 8 17.293 -8.154 -4.073 1.00 0.00 C ATOM 0 HA PRO A 8 14.951 -6.012 -4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 8 17.124 -4.886 -3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.041 -5.981 -2.663 1.00 0.00 H new ATOM 0 HG2 PRO A 8 18.722 -6.556 -3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.085 -7.103 -2.372 1.00 0.00 H new ATOM 0 HD2 PRO A 8 18.087 -8.712 -4.569 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.832 -8.828 -3.351 1.00 0.00 H new ATOM 80 N ASN A 9 15.853 -4.271 -6.270 1.00 0.00 N ATOM 81 CA ASN A 9 16.274 -3.354 -7.324 1.00 0.00 C ATOM 82 C ASN A 9 15.749 -1.946 -7.060 1.00 0.00 C ATOM 83 O ASN A 9 15.070 -1.702 -6.064 1.00 0.00 O ATOM 84 CB ASN A 9 15.780 -3.848 -8.685 1.00 0.00 C ATOM 85 CG ASN A 9 16.652 -3.364 -9.827 1.00 0.00 C ATOM 86 OD1 ASN A 9 17.617 -2.629 -9.617 1.00 0.00 O ATOM 87 ND2 ASN A 9 16.316 -3.776 -11.044 1.00 0.00 N ATOM 0 H ASN A 9 14.974 -4.019 -5.818 1.00 0.00 H new ATOM 0 HA ASN A 9 17.363 -3.321 -7.331 1.00 0.00 H new ATOM 0 HB2 ASN A 9 15.756 -4.938 -8.686 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.757 -3.507 -8.843 1.00 0.00 H new ATOM 0 HD21 ASN A 9 16.866 -3.483 -11.851 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.508 -4.385 -11.171 1.00 0.00 H new ATOM 94 N ALA A 10 16.070 -1.023 -7.961 1.00 0.00 N ATOM 95 CA ALA A 10 15.630 0.360 -7.827 1.00 0.00 C ATOM 96 C ALA A 10 14.142 0.433 -7.503 1.00 0.00 C ATOM 97 O ALA A 10 13.457 -0.588 -7.449 1.00 0.00 O ATOM 98 CB ALA A 10 15.933 1.136 -9.101 1.00 0.00 C ATOM 0 H ALA A 10 16.633 -1.208 -8.791 1.00 0.00 H new ATOM 0 HA ALA A 10 16.178 0.812 -7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.599 2.167 -8.987 1.00 0.00 H new ATOM 0 HB2 ALA A 10 17.006 1.121 -9.290 1.00 0.00 H new ATOM 0 HB3 ALA A 10 15.411 0.676 -9.940 1.00 0.00 H new ATOM 104 N SER A 11 13.647 1.648 -7.287 1.00 0.00 N ATOM 105 CA SER A 11 12.240 1.854 -6.963 1.00 0.00 C ATOM 106 C SER A 11 11.348 0.978 -7.837 1.00 0.00 C ATOM 107 O SER A 11 10.330 0.460 -7.379 1.00 0.00 O ATOM 108 CB SER A 11 11.864 3.326 -7.144 1.00 0.00 C ATOM 109 OG SER A 11 10.488 3.537 -6.875 1.00 0.00 O ATOM 0 H SER A 11 14.199 2.504 -7.331 1.00 0.00 H new ATOM 0 HA SER A 11 12.087 1.573 -5.921 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.467 3.943 -6.478 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.091 3.640 -8.163 1.00 0.00 H new ATOM 0 HG SER A 11 10.273 4.485 -6.996 1.00 0.00 H new ATOM 115 N GLN A 12 11.738 0.818 -9.097 1.00 0.00 N ATOM 116 CA GLN A 12 10.973 0.006 -10.036 1.00 0.00 C ATOM 117 C GLN A 12 10.491 -1.281 -9.375 1.00 0.00 C ATOM 118 O GLN A 12 9.323 -1.652 -9.493 1.00 0.00 O ATOM 119 CB GLN A 12 11.821 -0.325 -11.265 1.00 0.00 C ATOM 120 CG GLN A 12 11.088 -1.160 -12.303 1.00 0.00 C ATOM 121 CD GLN A 12 11.264 -2.650 -12.082 1.00 0.00 C ATOM 122 OE1 GLN A 12 11.288 -3.122 -10.946 1.00 0.00 O ATOM 123 NE2 GLN A 12 11.387 -3.399 -13.172 1.00 0.00 N ATOM 0 H GLN A 12 12.579 1.240 -9.491 1.00 0.00 H new ATOM 0 HA GLN A 12 10.101 0.581 -10.349 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.154 0.604 -11.727 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.715 -0.860 -10.946 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.026 -0.915 -12.277 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.451 -0.898 -13.297 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.361 -2.965 -14.095 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.507 -4.408 -13.086 1.00 0.00 H new ATOM 132 N SER A 13 11.399 -1.959 -8.679 1.00 0.00 N ATOM 133 CA SER A 13 11.067 -3.208 -8.002 1.00 0.00 C ATOM 134 C SER A 13 9.805 -3.050 -7.159 1.00 0.00 C ATOM 135 O SER A 13 8.969 -3.952 -7.097 1.00 0.00 O ATOM 136 CB SER A 13 12.232 -3.659 -7.119 1.00 0.00 C ATOM 137 OG SER A 13 12.368 -2.818 -5.987 1.00 0.00 O ATOM 0 H SER A 13 12.369 -1.665 -8.569 1.00 0.00 H new ATOM 0 HA SER A 13 10.882 -3.967 -8.762 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.070 -4.687 -6.795 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.156 -3.649 -7.697 1.00 0.00 H new ATOM 0 HG SER A 13 13.199 -2.303 -6.060 1.00 0.00 H new ATOM 143 N LEU A 14 9.675 -1.898 -6.511 1.00 0.00 N ATOM 144 CA LEU A 14 8.516 -1.620 -5.670 1.00 0.00 C ATOM 145 C LEU A 14 7.297 -1.274 -6.520 1.00 0.00 C ATOM 146 O LEU A 14 6.287 -1.979 -6.492 1.00 0.00 O ATOM 147 CB LEU A 14 8.823 -0.471 -4.707 1.00 0.00 C ATOM 148 CG LEU A 14 7.673 -0.029 -3.802 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.270 -1.155 -2.862 1.00 0.00 C ATOM 150 CD2 LEU A 14 8.063 1.213 -3.013 1.00 0.00 C ATOM 0 H LEU A 14 10.358 -1.141 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 14 8.292 -2.518 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.662 -0.766 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.150 0.389 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 14 6.816 0.217 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.450 -0.822 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.949 -2.018 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.122 -1.433 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.233 1.514 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.934 0.993 -2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.301 2.022 -3.703 1.00 0.00 H new ATOM 162 N LEU A 15 7.399 -0.187 -7.276 1.00 0.00 N ATOM 163 CA LEU A 15 6.306 0.251 -8.137 1.00 0.00 C ATOM 164 C LEU A 15 5.685 -0.931 -8.874 1.00 0.00 C ATOM 165 O LEU A 15 4.482 -0.953 -9.132 1.00 0.00 O ATOM 166 CB LEU A 15 6.808 1.288 -9.144 1.00 0.00 C ATOM 167 CG LEU A 15 5.736 2.161 -9.799 1.00 0.00 C ATOM 168 CD1 LEU A 15 5.411 3.358 -8.919 1.00 0.00 C ATOM 169 CD2 LEU A 15 6.190 2.617 -11.178 1.00 0.00 C ATOM 0 H LEU A 15 8.227 0.407 -7.310 1.00 0.00 H new ATOM 0 HA LEU A 15 5.541 0.705 -7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.521 1.940 -8.639 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.354 0.767 -9.930 1.00 0.00 H new ATOM 0 HG LEU A 15 4.830 1.566 -9.915 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.647 3.967 -9.401 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.043 3.011 -7.954 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.311 3.955 -8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.415 3.237 -11.630 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.109 3.195 -11.086 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.371 1.746 -11.808 1.00 0.00 H new ATOM 181 N VAL A 16 6.515 -1.914 -9.209 1.00 0.00 N ATOM 182 CA VAL A 16 6.047 -3.102 -9.913 1.00 0.00 C ATOM 183 C VAL A 16 5.413 -4.099 -8.949 1.00 0.00 C ATOM 184 O VAL A 16 4.351 -4.656 -9.226 1.00 0.00 O ATOM 185 CB VAL A 16 7.197 -3.796 -10.668 1.00 0.00 C ATOM 186 CG1 VAL A 16 6.682 -5.011 -11.425 1.00 0.00 C ATOM 187 CG2 VAL A 16 7.878 -2.818 -11.614 1.00 0.00 C ATOM 0 H VAL A 16 7.514 -1.911 -9.004 1.00 0.00 H new ATOM 0 HA VAL A 16 5.298 -2.769 -10.632 1.00 0.00 H new ATOM 0 HB VAL A 16 7.934 -4.137 -9.940 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.508 -5.488 -11.952 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.243 -5.719 -10.722 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.925 -4.698 -12.144 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.688 -3.324 -12.139 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.152 -2.447 -12.338 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.282 -1.982 -11.044 1.00 0.00 H new ATOM 197 N TRP A 17 6.072 -4.319 -7.817 1.00 0.00 N ATOM 198 CA TRP A 17 5.572 -5.248 -6.810 1.00 0.00 C ATOM 199 C TRP A 17 4.066 -5.094 -6.626 1.00 0.00 C ATOM 200 O TRP A 17 3.325 -6.077 -6.651 1.00 0.00 O ATOM 201 CB TRP A 17 6.287 -5.022 -5.477 1.00 0.00 C ATOM 202 CG TRP A 17 5.910 -6.020 -4.424 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.406 -7.284 -4.278 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.957 -5.837 -3.372 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.819 -7.898 -3.199 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.926 -7.031 -2.625 1.00 0.00 C ATOM 207 CE3 TRP A 17 4.128 -4.780 -2.987 1.00 0.00 C ATOM 208 CZ2 TRP A 17 4.098 -7.195 -1.518 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.306 -4.945 -1.888 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.297 -6.145 -1.163 1.00 0.00 C ATOM 0 H TRP A 17 6.953 -3.867 -7.573 1.00 0.00 H new ATOM 0 HA TRP A 17 5.775 -6.262 -7.155 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.364 -5.065 -5.639 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.058 -4.019 -5.116 1.00 0.00 H new ATOM 0 HD1 TRP A 17 7.151 -7.735 -4.917 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.016 -8.846 -2.877 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.130 -3.851 -3.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.089 -8.119 -0.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.660 -4.136 -1.583 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.645 -6.242 -0.308 1.00 0.00 H new ATOM 221 N CYS A 18 3.621 -3.856 -6.442 1.00 0.00 N ATOM 222 CA CYS A 18 2.202 -3.574 -6.254 1.00 0.00 C ATOM 223 C CYS A 18 1.423 -3.820 -7.541 1.00 0.00 C ATOM 224 O CYS A 18 0.466 -4.595 -7.562 1.00 0.00 O ATOM 225 CB CYS A 18 2.006 -2.129 -5.793 1.00 0.00 C ATOM 226 SG CYS A 18 0.280 -1.675 -5.502 1.00 0.00 S ATOM 0 H CYS A 18 4.222 -3.032 -6.419 1.00 0.00 H new ATOM 0 HA CYS A 18 1.821 -4.248 -5.487 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.572 -1.972 -4.875 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.425 -1.459 -6.544 1.00 0.00 H new ATOM 0 HG CYS A 18 0.230 -0.633 -4.726 1.00 0.00 H new ATOM 232 N LYS A 19 1.838 -3.156 -8.614 1.00 0.00 N ATOM 233 CA LYS A 19 1.179 -3.302 -9.907 1.00 0.00 C ATOM 234 C LYS A 19 1.032 -4.773 -10.280 1.00 0.00 C ATOM 235 O LYS A 19 0.205 -5.130 -11.118 1.00 0.00 O ATOM 236 CB LYS A 19 1.971 -2.567 -10.991 1.00 0.00 C ATOM 237 CG LYS A 19 2.096 -1.073 -10.746 1.00 0.00 C ATOM 238 CD LYS A 19 3.304 -0.490 -11.459 1.00 0.00 C ATOM 239 CE LYS A 19 3.035 -0.296 -12.944 1.00 0.00 C ATOM 240 NZ LYS A 19 3.066 -1.587 -13.686 1.00 0.00 N ATOM 0 H LYS A 19 2.628 -2.511 -8.614 1.00 0.00 H new ATOM 0 HA LYS A 19 0.184 -2.864 -9.831 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.969 -3.001 -11.057 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.489 -2.729 -11.955 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.192 -0.570 -11.090 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.178 -0.885 -9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.567 0.467 -11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.160 -1.151 -11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.062 0.177 -13.078 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.779 0.382 -13.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.556 -1.454 -14.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.570 -2.300 -13.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.093 -1.910 -13.862 1.00 0.00 H new ATOM 254 N GLU A 20 1.839 -5.622 -9.651 1.00 0.00 N ATOM 255 CA GLU A 20 1.797 -7.055 -9.917 1.00 0.00 C ATOM 256 C GLU A 20 0.658 -7.718 -9.149 1.00 0.00 C ATOM 257 O GLU A 20 -0.201 -8.377 -9.735 1.00 0.00 O ATOM 258 CB GLU A 20 3.129 -7.706 -9.539 1.00 0.00 C ATOM 259 CG GLU A 20 3.402 -9.007 -10.276 1.00 0.00 C ATOM 260 CD GLU A 20 3.207 -8.880 -11.774 1.00 0.00 C ATOM 261 OE1 GLU A 20 4.056 -8.241 -12.430 1.00 0.00 O ATOM 262 OE2 GLU A 20 2.206 -9.420 -12.290 1.00 0.00 O ATOM 0 H GLU A 20 2.529 -5.342 -8.954 1.00 0.00 H new ATOM 0 HA GLU A 20 1.622 -7.195 -10.984 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.938 -7.005 -9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.139 -7.897 -8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.423 -9.328 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.741 -9.784 -9.892 1.00 0.00 H new ATOM 269 N VAL A 21 0.657 -7.539 -7.831 1.00 0.00 N ATOM 270 CA VAL A 21 -0.376 -8.119 -6.981 1.00 0.00 C ATOM 271 C VAL A 21 -1.724 -7.449 -7.221 1.00 0.00 C ATOM 272 O VAL A 21 -2.764 -7.951 -6.793 1.00 0.00 O ATOM 273 CB VAL A 21 -0.011 -7.994 -5.490 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.476 -8.241 -5.281 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.413 -6.628 -4.956 1.00 0.00 C ATOM 0 H VAL A 21 1.360 -6.997 -7.329 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.446 -9.175 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.562 -8.753 -4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.715 -8.148 -4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.730 -9.244 -5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.050 -7.508 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.148 -6.557 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.109 -5.851 -5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.489 -6.495 -5.069 1.00 0.00 H new ATOM 285 N THR A 22 -1.700 -6.312 -7.909 1.00 0.00 N ATOM 286 CA THR A 22 -2.920 -5.572 -8.206 1.00 0.00 C ATOM 287 C THR A 22 -3.277 -5.671 -9.685 1.00 0.00 C ATOM 288 O THR A 22 -3.973 -4.811 -10.225 1.00 0.00 O ATOM 289 CB THR A 22 -2.785 -4.087 -7.820 1.00 0.00 C ATOM 290 OG1 THR A 22 -1.726 -3.481 -8.569 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.510 -3.938 -6.331 1.00 0.00 C ATOM 0 H THR A 22 -0.848 -5.883 -8.271 1.00 0.00 H new ATOM 0 HA THR A 22 -3.715 -6.023 -7.612 1.00 0.00 H new ATOM 0 HB THR A 22 -3.725 -3.587 -8.051 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.890 -3.964 -8.403 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.418 -2.881 -6.082 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.332 -4.375 -5.764 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.582 -4.452 -6.079 1.00 0.00 H new ATOM 299 N LYS A 23 -2.797 -6.725 -10.335 1.00 0.00 N ATOM 300 CA LYS A 23 -3.066 -6.938 -11.752 1.00 0.00 C ATOM 301 C LYS A 23 -4.550 -7.197 -11.991 1.00 0.00 C ATOM 302 O LYS A 23 -5.137 -8.096 -11.391 1.00 0.00 O ATOM 303 CB LYS A 23 -2.241 -8.115 -12.278 1.00 0.00 C ATOM 304 CG LYS A 23 -2.515 -9.422 -11.554 1.00 0.00 C ATOM 305 CD LYS A 23 -1.472 -10.474 -11.888 1.00 0.00 C ATOM 306 CE LYS A 23 -1.646 -11.003 -13.303 1.00 0.00 C ATOM 307 NZ LYS A 23 -2.949 -11.703 -13.477 1.00 0.00 N ATOM 0 H LYS A 23 -2.219 -7.446 -9.903 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.781 -6.034 -12.290 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.448 -8.247 -13.340 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.182 -7.874 -12.188 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.525 -9.248 -10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.504 -9.790 -11.827 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.475 -10.047 -11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.545 -11.298 -11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.581 -10.176 -14.010 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.831 -11.688 -13.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.905 -12.314 -14.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.146 -12.283 -12.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.707 -11.001 -13.599 1.00 0.00 H new ATOM 321 N ASN A 24 -5.151 -6.404 -12.872 1.00 0.00 N ATOM 322 CA ASN A 24 -6.566 -6.548 -13.191 1.00 0.00 C ATOM 323 C ASN A 24 -7.429 -6.301 -11.957 1.00 0.00 C ATOM 324 O ASN A 24 -8.301 -7.105 -11.625 1.00 0.00 O ATOM 325 CB ASN A 24 -6.845 -7.944 -13.751 1.00 0.00 C ATOM 326 CG ASN A 24 -6.300 -8.123 -15.155 1.00 0.00 C ATOM 327 OD1 ASN A 24 -7.059 -8.294 -16.109 1.00 0.00 O ATOM 328 ND2 ASN A 24 -4.979 -8.085 -15.286 1.00 0.00 N ATOM 0 H ASN A 24 -4.679 -5.654 -13.378 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.820 -5.804 -13.946 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.401 -8.692 -13.094 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.920 -8.122 -13.756 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.554 -8.200 -16.206 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.389 -7.941 -14.466 1.00 0.00 H new ATOM 335 N TYR A 25 -7.181 -5.185 -11.282 1.00 0.00 N ATOM 336 CA TYR A 25 -7.934 -4.833 -10.084 1.00 0.00 C ATOM 337 C TYR A 25 -8.939 -3.724 -10.378 1.00 0.00 C ATOM 338 O TYR A 25 -9.078 -3.284 -11.520 1.00 0.00 O ATOM 339 CB TYR A 25 -6.982 -4.392 -8.970 1.00 0.00 C ATOM 340 CG TYR A 25 -6.466 -5.535 -8.126 1.00 0.00 C ATOM 341 CD1 TYR A 25 -5.867 -6.643 -8.714 1.00 0.00 C ATOM 342 CD2 TYR A 25 -6.576 -5.508 -6.741 1.00 0.00 C ATOM 343 CE1 TYR A 25 -5.394 -7.690 -7.947 1.00 0.00 C ATOM 344 CE2 TYR A 25 -6.105 -6.550 -5.967 1.00 0.00 C ATOM 345 CZ TYR A 25 -5.515 -7.639 -6.574 1.00 0.00 C ATOM 346 OH TYR A 25 -5.044 -8.680 -5.807 1.00 0.00 O ATOM 0 H TYR A 25 -6.464 -4.508 -11.544 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.482 -5.717 -9.757 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.135 -3.868 -9.414 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.496 -3.679 -8.326 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.770 -6.686 -9.789 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.038 -4.657 -6.262 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.932 -8.544 -8.420 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.198 -6.512 -4.892 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.201 -9.009 -6.184 1.00 0.00 H new ATOM 356 N ARG A 26 -9.637 -3.276 -9.340 1.00 0.00 N ATOM 357 CA ARG A 26 -10.630 -2.218 -9.485 1.00 0.00 C ATOM 358 C ARG A 26 -9.967 -0.844 -9.469 1.00 0.00 C ATOM 359 O ARG A 26 -9.699 -0.285 -8.407 1.00 0.00 O ATOM 360 CB ARG A 26 -11.670 -2.308 -8.367 1.00 0.00 C ATOM 361 CG ARG A 26 -12.920 -1.485 -8.630 1.00 0.00 C ATOM 362 CD ARG A 26 -13.976 -1.718 -7.561 1.00 0.00 C ATOM 363 NE ARG A 26 -15.320 -1.409 -8.042 1.00 0.00 N ATOM 364 CZ ARG A 26 -16.402 -1.444 -7.272 1.00 0.00 C ATOM 365 NH1 ARG A 26 -16.299 -1.772 -5.992 1.00 0.00 N ATOM 366 NH2 ARG A 26 -17.590 -1.149 -7.783 1.00 0.00 N ATOM 0 H ARG A 26 -9.533 -3.629 -8.389 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.128 -2.351 -10.446 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.954 -3.351 -8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.217 -1.976 -7.433 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.660 -0.427 -8.662 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.327 -1.743 -9.608 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.938 -2.757 -7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.752 -1.102 -6.690 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.434 -1.152 -9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.387 -1.998 -5.595 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -17.132 -1.798 -5.404 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.673 -0.895 -8.767 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.421 -1.176 -7.192 1.00 0.00 H new ATOM 380 N GLY A 27 -9.706 -0.304 -10.656 1.00 0.00 N ATOM 381 CA GLY A 27 -9.077 0.999 -10.756 1.00 0.00 C ATOM 382 C GLY A 27 -7.788 1.083 -9.962 1.00 0.00 C ATOM 383 O GLY A 27 -7.657 1.916 -9.065 1.00 0.00 O ATOM 0 H GLY A 27 -9.919 -0.746 -11.550 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.870 1.220 -11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.770 1.762 -10.400 1.00 0.00 H new ATOM 387 N VAL A 28 -6.835 0.218 -10.291 1.00 0.00 N ATOM 388 CA VAL A 28 -5.550 0.197 -9.601 1.00 0.00 C ATOM 389 C VAL A 28 -4.411 0.556 -10.549 1.00 0.00 C ATOM 390 O VAL A 28 -3.819 -0.317 -11.184 1.00 0.00 O ATOM 391 CB VAL A 28 -5.270 -1.183 -8.978 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.889 -1.211 -8.341 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.343 -1.535 -7.959 1.00 0.00 C ATOM 0 H VAL A 28 -6.928 -0.478 -11.031 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.605 0.941 -8.806 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.294 -1.931 -9.770 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.709 -2.194 -7.906 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.134 -1.006 -9.100 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.833 -0.453 -7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.129 -2.513 -7.529 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.353 -0.785 -7.168 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.316 -1.559 -8.449 1.00 0.00 H new ATOM 403 N LYS A 29 -4.109 1.846 -10.641 1.00 0.00 N ATOM 404 CA LYS A 29 -3.040 2.322 -11.510 1.00 0.00 C ATOM 405 C LYS A 29 -1.948 3.014 -10.701 1.00 0.00 C ATOM 406 O LYS A 29 -1.938 4.239 -10.575 1.00 0.00 O ATOM 407 CB LYS A 29 -3.598 3.284 -12.561 1.00 0.00 C ATOM 408 CG LYS A 29 -2.583 3.690 -13.615 1.00 0.00 C ATOM 409 CD LYS A 29 -3.038 4.921 -14.382 1.00 0.00 C ATOM 410 CE LYS A 29 -1.908 5.508 -15.214 1.00 0.00 C ATOM 411 NZ LYS A 29 -2.275 6.830 -15.794 1.00 0.00 N ATOM 0 H LYS A 29 -4.590 2.582 -10.124 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.604 1.459 -12.012 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.452 2.817 -13.052 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.968 4.179 -12.062 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.623 3.891 -13.139 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.428 2.864 -14.309 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.872 4.658 -15.033 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.404 5.672 -13.682 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.019 5.618 -14.593 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.652 4.817 -16.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.479 7.197 -16.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.108 6.721 -16.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.495 7.497 -15.027 1.00 0.00 H new ATOM 425 N ILE A 30 -1.030 2.223 -10.156 1.00 0.00 N ATOM 426 CA ILE A 30 0.067 2.761 -9.362 1.00 0.00 C ATOM 427 C ILE A 30 0.929 3.711 -10.186 1.00 0.00 C ATOM 428 O ILE A 30 2.032 3.361 -10.607 1.00 0.00 O ATOM 429 CB ILE A 30 0.957 1.638 -8.797 1.00 0.00 C ATOM 430 CG1 ILE A 30 0.132 0.698 -7.915 1.00 0.00 C ATOM 431 CG2 ILE A 30 2.119 2.227 -8.011 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.477 -0.461 -8.672 1.00 0.00 C ATOM 0 H ILE A 30 -1.024 1.207 -10.250 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.383 3.309 -8.534 1.00 0.00 H new ATOM 0 HB ILE A 30 1.362 1.062 -9.629 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.767 0.308 -7.120 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.665 1.268 -7.436 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.738 1.421 -7.618 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.718 2.859 -8.666 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.734 2.824 -7.184 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.047 -1.085 -7.984 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.139 -0.080 -9.450 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.316 -1.054 -9.128 1.00 0.00 H new ATOM 444 N THR A 31 0.419 4.918 -10.414 1.00 0.00 N ATOM 445 CA THR A 31 1.142 5.919 -11.187 1.00 0.00 C ATOM 446 C THR A 31 2.105 6.706 -10.305 1.00 0.00 C ATOM 447 O THR A 31 3.117 7.219 -10.780 1.00 0.00 O ATOM 448 CB THR A 31 0.176 6.902 -11.876 1.00 0.00 C ATOM 449 OG1 THR A 31 0.871 8.099 -12.240 1.00 0.00 O ATOM 450 CG2 THR A 31 -0.990 7.245 -10.961 1.00 0.00 C ATOM 0 H THR A 31 -0.492 5.225 -10.074 1.00 0.00 H new ATOM 0 HA THR A 31 1.707 5.382 -11.948 1.00 0.00 H new ATOM 0 HB THR A 31 -0.215 6.423 -12.774 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.250 8.717 -12.679 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.659 7.940 -11.469 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.535 6.335 -10.710 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.613 7.706 -10.048 1.00 0.00 H new ATOM 458 N ASN A 32 1.783 6.796 -9.019 1.00 0.00 N ATOM 459 CA ASN A 32 2.621 7.520 -8.070 1.00 0.00 C ATOM 460 C ASN A 32 2.599 6.847 -6.701 1.00 0.00 C ATOM 461 O ASN A 32 1.894 5.859 -6.494 1.00 0.00 O ATOM 462 CB ASN A 32 2.149 8.970 -7.945 1.00 0.00 C ATOM 463 CG ASN A 32 0.673 9.127 -8.257 1.00 0.00 C ATOM 464 OD1 ASN A 32 -0.153 8.325 -7.821 1.00 0.00 O ATOM 465 ND2 ASN A 32 0.336 10.164 -9.015 1.00 0.00 N ATOM 0 H ASN A 32 0.948 6.377 -8.610 1.00 0.00 H new ATOM 0 HA ASN A 32 3.645 7.508 -8.444 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.344 9.327 -6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.729 9.598 -8.621 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.642 10.321 -9.258 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.055 10.803 -9.354 1.00 0.00 H new ATOM 472 N PHE A 33 3.377 7.388 -5.769 1.00 0.00 N ATOM 473 CA PHE A 33 3.448 6.841 -4.420 1.00 0.00 C ATOM 474 C PHE A 33 2.838 7.806 -3.408 1.00 0.00 C ATOM 475 O PHE A 33 2.943 7.605 -2.198 1.00 0.00 O ATOM 476 CB PHE A 33 4.901 6.541 -4.044 1.00 0.00 C ATOM 477 CG PHE A 33 5.390 5.215 -4.550 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.705 4.048 -4.250 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.534 5.134 -5.327 1.00 0.00 C ATOM 480 CE1 PHE A 33 5.153 2.826 -4.714 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.987 3.915 -5.795 1.00 0.00 C ATOM 482 CZ PHE A 33 6.295 2.759 -5.488 1.00 0.00 C ATOM 0 H PHE A 33 3.967 8.205 -5.924 1.00 0.00 H new ATOM 0 HA PHE A 33 2.876 5.913 -4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.540 7.330 -4.440 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.999 6.565 -2.959 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.811 4.094 -3.646 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.079 6.034 -5.570 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.611 1.924 -4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.880 3.866 -6.400 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.646 1.805 -5.853 1.00 0.00 H new ATOM 492 N THR A 34 2.198 8.857 -3.913 1.00 0.00 N ATOM 493 CA THR A 34 1.572 9.855 -3.055 1.00 0.00 C ATOM 494 C THR A 34 0.053 9.810 -3.177 1.00 0.00 C ATOM 495 O THR A 34 -0.652 9.557 -2.199 1.00 0.00 O ATOM 496 CB THR A 34 2.061 11.275 -3.396 1.00 0.00 C ATOM 497 OG1 THR A 34 1.671 11.621 -4.729 1.00 0.00 O ATOM 498 CG2 THR A 34 3.573 11.373 -3.263 1.00 0.00 C ATOM 0 H THR A 34 2.100 9.038 -4.912 1.00 0.00 H new ATOM 0 HA THR A 34 1.859 9.616 -2.031 1.00 0.00 H new ATOM 0 HB THR A 34 1.604 11.971 -2.692 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.984 12.526 -4.937 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.895 12.385 -3.509 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.864 11.138 -2.239 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.045 10.666 -3.946 1.00 0.00 H new ATOM 506 N THR A 35 -0.447 10.056 -4.384 1.00 0.00 N ATOM 507 CA THR A 35 -1.882 10.044 -4.634 1.00 0.00 C ATOM 508 C THR A 35 -2.408 8.618 -4.751 1.00 0.00 C ATOM 509 O THR A 35 -3.312 8.217 -4.019 1.00 0.00 O ATOM 510 CB THR A 35 -2.235 10.817 -5.919 1.00 0.00 C ATOM 511 OG1 THR A 35 -1.471 10.313 -7.019 1.00 0.00 O ATOM 512 CG2 THR A 35 -1.967 12.304 -5.746 1.00 0.00 C ATOM 0 H THR A 35 0.122 10.266 -5.204 1.00 0.00 H new ATOM 0 HA THR A 35 -2.355 10.534 -3.783 1.00 0.00 H new ATOM 0 HB THR A 35 -3.297 10.677 -6.122 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.036 10.273 -7.819 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.224 12.829 -6.666 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.573 12.690 -4.926 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.912 12.460 -5.521 1.00 0.00 H new ATOM 520 N SER A 36 -1.835 7.856 -5.677 1.00 0.00 N ATOM 521 CA SER A 36 -2.249 6.474 -5.893 1.00 0.00 C ATOM 522 C SER A 36 -2.576 5.792 -4.568 1.00 0.00 C ATOM 523 O SER A 36 -3.434 4.911 -4.506 1.00 0.00 O ATOM 524 CB SER A 36 -1.149 5.698 -6.621 1.00 0.00 C ATOM 525 OG SER A 36 -1.618 4.431 -7.050 1.00 0.00 O ATOM 0 H SER A 36 -1.083 8.172 -6.290 1.00 0.00 H new ATOM 0 HA SER A 36 -3.148 6.482 -6.510 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.803 6.272 -7.481 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.293 5.568 -5.959 1.00 0.00 H new ATOM 0 HG SER A 36 -2.136 4.536 -7.875 1.00 0.00 H new ATOM 531 N TRP A 37 -1.887 6.206 -3.511 1.00 0.00 N ATOM 532 CA TRP A 37 -2.104 5.635 -2.186 1.00 0.00 C ATOM 533 C TRP A 37 -2.835 6.621 -1.282 1.00 0.00 C ATOM 534 O TRP A 37 -3.426 6.232 -0.274 1.00 0.00 O ATOM 535 CB TRP A 37 -0.768 5.239 -1.554 1.00 0.00 C ATOM 536 CG TRP A 37 0.128 4.481 -2.486 1.00 0.00 C ATOM 537 CD1 TRP A 37 0.945 5.006 -3.446 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.297 3.060 -2.546 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.611 3.998 -4.100 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.231 2.795 -3.566 1.00 0.00 C ATOM 541 CE3 TRP A 37 -0.249 1.987 -1.837 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.629 1.501 -3.893 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.146 0.704 -2.163 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.078 0.469 -3.182 1.00 0.00 C ATOM 0 H TRP A 37 -1.174 6.934 -3.545 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.723 4.745 -2.298 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.253 6.139 -1.217 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.959 4.631 -0.670 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.052 6.059 -3.660 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.280 4.125 -4.860 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.967 2.158 -1.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.347 1.318 -4.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.271 -0.133 -1.623 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.367 -0.546 -3.411 1.00 0.00 H new ATOM 555 N ARG A 38 -2.793 7.898 -1.649 1.00 0.00 N ATOM 556 CA ARG A 38 -3.451 8.939 -0.869 1.00 0.00 C ATOM 557 C ARG A 38 -4.801 8.455 -0.347 1.00 0.00 C ATOM 558 O ARG A 38 -5.119 8.624 0.829 1.00 0.00 O ATOM 559 CB ARG A 38 -3.642 10.197 -1.718 1.00 0.00 C ATOM 560 CG ARG A 38 -4.703 11.141 -1.177 1.00 0.00 C ATOM 561 CD ARG A 38 -4.470 12.569 -1.646 1.00 0.00 C ATOM 562 NE ARG A 38 -5.147 12.849 -2.909 1.00 0.00 N ATOM 563 CZ ARG A 38 -6.468 12.902 -3.038 1.00 0.00 C ATOM 564 NH1 ARG A 38 -7.249 12.697 -1.987 1.00 0.00 N ATOM 565 NH2 ARG A 38 -7.010 13.162 -4.221 1.00 0.00 N ATOM 0 H ARG A 38 -2.310 8.236 -2.481 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.815 9.177 -0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.693 10.729 -1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.912 9.903 -2.732 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.688 10.807 -1.501 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.698 11.109 -0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.824 13.263 -0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.400 12.742 -1.762 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.575 13.013 -3.737 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.836 12.498 -1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.263 12.738 -2.089 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.412 13.321 -5.032 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.024 13.203 -4.319 1.00 0.00 H new ATOM 579 N ASN A 39 -5.591 7.854 -1.231 1.00 0.00 N ATOM 580 CA ASN A 39 -6.907 7.347 -0.860 1.00 0.00 C ATOM 581 C ASN A 39 -6.785 6.074 -0.028 1.00 0.00 C ATOM 582 O ASN A 39 -7.324 5.986 1.074 1.00 0.00 O ATOM 583 CB ASN A 39 -7.743 7.073 -2.112 1.00 0.00 C ATOM 584 CG ASN A 39 -6.892 6.646 -3.293 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.720 6.305 -3.137 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.481 6.664 -4.483 1.00 0.00 N ATOM 0 H ASN A 39 -5.343 7.706 -2.209 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.405 8.107 -0.258 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.474 6.295 -1.894 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.302 7.971 -2.376 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.959 6.388 -5.315 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.455 6.954 -4.565 1.00 0.00 H new ATOM 593 N GLY A 40 -6.070 5.089 -0.565 1.00 0.00 N ATOM 594 CA GLY A 40 -5.889 3.834 0.141 1.00 0.00 C ATOM 595 C GLY A 40 -6.371 2.642 -0.662 1.00 0.00 C ATOM 596 O GLY A 40 -6.716 1.602 -0.098 1.00 0.00 O ATOM 0 H GLY A 40 -5.613 5.138 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.833 3.704 0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.428 3.872 1.088 1.00 0.00 H new ATOM 600 N LEU A 41 -6.397 2.791 -1.982 1.00 0.00 N ATOM 601 CA LEU A 41 -6.842 1.719 -2.865 1.00 0.00 C ATOM 602 C LEU A 41 -5.769 0.643 -2.998 1.00 0.00 C ATOM 603 O LEU A 41 -5.968 -0.501 -2.589 1.00 0.00 O ATOM 604 CB LEU A 41 -7.193 2.279 -4.244 1.00 0.00 C ATOM 605 CG LEU A 41 -8.519 3.034 -4.344 1.00 0.00 C ATOM 606 CD1 LEU A 41 -8.728 3.561 -5.756 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.676 2.137 -3.931 1.00 0.00 C ATOM 0 H LEU A 41 -6.115 3.644 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.732 1.267 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.392 2.949 -4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.214 1.453 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.483 3.884 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.677 4.095 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.915 4.239 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.743 2.727 -6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.612 2.691 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.714 1.267 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.533 1.809 -2.901 1.00 0.00 H new ATOM 619 N SER A 42 -4.630 1.018 -3.572 1.00 0.00 N ATOM 620 CA SER A 42 -3.526 0.085 -3.761 1.00 0.00 C ATOM 621 C SER A 42 -3.218 -0.662 -2.466 1.00 0.00 C ATOM 622 O SER A 42 -2.926 -1.858 -2.480 1.00 0.00 O ATOM 623 CB SER A 42 -2.279 0.829 -4.242 1.00 0.00 C ATOM 624 OG SER A 42 -2.533 1.519 -5.454 1.00 0.00 O ATOM 0 H SER A 42 -4.448 1.962 -3.914 1.00 0.00 H new ATOM 0 HA SER A 42 -3.822 -0.641 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.956 1.536 -3.478 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.463 0.121 -4.387 1.00 0.00 H new ATOM 0 HG SER A 42 -1.780 2.113 -5.656 1.00 0.00 H new ATOM 630 N PHE A 43 -3.286 0.053 -1.348 1.00 0.00 N ATOM 631 CA PHE A 43 -3.014 -0.540 -0.044 1.00 0.00 C ATOM 632 C PHE A 43 -3.956 -1.709 0.230 1.00 0.00 C ATOM 633 O PHE A 43 -3.514 -2.826 0.501 1.00 0.00 O ATOM 634 CB PHE A 43 -3.155 0.512 1.058 1.00 0.00 C ATOM 635 CG PHE A 43 -1.910 1.325 1.273 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.701 0.707 1.547 1.00 0.00 C ATOM 637 CD2 PHE A 43 -1.950 2.709 1.201 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.445 1.453 1.746 1.00 0.00 C ATOM 639 CE2 PHE A 43 -0.807 3.460 1.399 1.00 0.00 C ATOM 640 CZ PHE A 43 0.392 2.831 1.671 1.00 0.00 C ATOM 0 H PHE A 43 -3.527 1.044 -1.319 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.991 -0.915 -0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.978 1.181 0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.421 0.016 1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.653 -0.370 1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.885 3.206 0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.381 0.959 1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.851 4.538 1.341 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.287 3.416 1.825 1.00 0.00 H new ATOM 650 N CYS A 44 -5.255 -1.442 0.156 1.00 0.00 N ATOM 651 CA CYS A 44 -6.261 -2.471 0.397 1.00 0.00 C ATOM 652 C CYS A 44 -6.190 -3.561 -0.668 1.00 0.00 C ATOM 653 O CYS A 44 -6.405 -4.738 -0.380 1.00 0.00 O ATOM 654 CB CYS A 44 -7.659 -1.851 0.418 1.00 0.00 C ATOM 655 SG CYS A 44 -8.023 -0.899 1.911 1.00 0.00 S ATOM 0 H CYS A 44 -5.636 -0.523 -0.069 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.058 -2.924 1.368 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.769 -1.201 -0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.398 -2.645 0.318 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.337 0.205 1.900 1.00 0.00 H new ATOM 661 N ALA A 45 -5.889 -3.159 -1.898 1.00 0.00 N ATOM 662 CA ALA A 45 -5.790 -4.102 -3.006 1.00 0.00 C ATOM 663 C ALA A 45 -4.746 -5.176 -2.720 1.00 0.00 C ATOM 664 O ALA A 45 -4.997 -6.366 -2.918 1.00 0.00 O ATOM 665 CB ALA A 45 -5.454 -3.367 -4.295 1.00 0.00 C ATOM 0 H ALA A 45 -5.710 -2.188 -2.153 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.756 -4.593 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.383 -4.083 -5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.237 -2.641 -4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.501 -2.850 -4.181 1.00 0.00 H new ATOM 671 N ILE A 46 -3.577 -4.750 -2.256 1.00 0.00 N ATOM 672 CA ILE A 46 -2.496 -5.677 -1.943 1.00 0.00 C ATOM 673 C ILE A 46 -2.938 -6.708 -0.911 1.00 0.00 C ATOM 674 O ILE A 46 -3.023 -7.901 -1.206 1.00 0.00 O ATOM 675 CB ILE A 46 -1.254 -4.936 -1.413 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.700 -3.994 -2.484 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.191 -5.931 -0.973 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.206 -2.917 -1.931 1.00 0.00 C ATOM 0 H ILE A 46 -3.354 -3.769 -2.088 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.237 -6.184 -2.872 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.546 -4.340 -0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.149 -4.579 -3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.532 -3.524 -3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.680 -5.392 -0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.591 -6.564 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.101 -6.551 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.562 -2.287 -2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.347 -2.308 -1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.058 -3.379 -1.432 1.00 0.00 H new ATOM 690 N LEU A 47 -3.220 -6.242 0.300 1.00 0.00 N ATOM 691 CA LEU A 47 -3.655 -7.123 1.378 1.00 0.00 C ATOM 692 C LEU A 47 -4.812 -8.008 0.924 1.00 0.00 C ATOM 693 O LEU A 47 -5.010 -9.106 1.446 1.00 0.00 O ATOM 694 CB LEU A 47 -4.076 -6.301 2.598 1.00 0.00 C ATOM 695 CG LEU A 47 -4.512 -7.099 3.827 1.00 0.00 C ATOM 696 CD1 LEU A 47 -3.358 -7.935 4.358 1.00 0.00 C ATOM 697 CD2 LEU A 47 -5.041 -6.167 4.907 1.00 0.00 C ATOM 0 H LEU A 47 -3.155 -5.258 0.561 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.816 -7.763 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.243 -5.659 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.897 -5.647 2.305 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.316 -7.774 3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.687 -8.496 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.026 -8.629 3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.532 -7.280 4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.347 -6.752 5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.258 -5.467 5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.898 -5.613 4.522 1.00 0.00 H new ATOM 709 N HIS A 48 -5.572 -7.524 -0.054 1.00 0.00 N ATOM 710 CA HIS A 48 -6.707 -8.273 -0.581 1.00 0.00 C ATOM 711 C HIS A 48 -6.243 -9.342 -1.565 1.00 0.00 C ATOM 712 O HIS A 48 -6.907 -10.363 -1.747 1.00 0.00 O ATOM 713 CB HIS A 48 -7.695 -7.327 -1.266 1.00 0.00 C ATOM 714 CG HIS A 48 -9.066 -7.907 -1.426 1.00 0.00 C ATOM 715 ND1 HIS A 48 -9.496 -8.515 -2.586 1.00 0.00 N ATOM 716 CD2 HIS A 48 -10.107 -7.971 -0.562 1.00 0.00 C ATOM 717 CE1 HIS A 48 -10.742 -8.926 -2.430 1.00 0.00 C ATOM 718 NE2 HIS A 48 -11.136 -8.608 -1.210 1.00 0.00 N ATOM 0 H HIS A 48 -5.422 -6.617 -0.497 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.205 -8.765 0.254 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.764 -6.406 -0.687 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.306 -7.058 -2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.124 -7.591 0.449 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -11.337 -9.435 -3.174 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.055 -8.804 -0.814 1.00 0.00 H new ATOM 727 N HIS A 49 -5.099 -9.101 -2.198 1.00 0.00 N ATOM 728 CA HIS A 49 -4.547 -10.044 -3.164 1.00 0.00 C ATOM 729 C HIS A 49 -4.352 -11.419 -2.531 1.00 0.00 C ATOM 730 O HIS A 49 -4.660 -12.443 -3.140 1.00 0.00 O ATOM 731 CB HIS A 49 -3.215 -9.527 -3.709 1.00 0.00 C ATOM 732 CG HIS A 49 -2.619 -10.405 -4.765 1.00 0.00 C ATOM 733 ND1 HIS A 49 -3.313 -10.814 -5.884 1.00 0.00 N ATOM 734 CD2 HIS A 49 -1.384 -10.951 -4.870 1.00 0.00 C ATOM 735 CE1 HIS A 49 -2.532 -11.575 -6.630 1.00 0.00 C ATOM 736 NE2 HIS A 49 -1.356 -11.674 -6.037 1.00 0.00 N ATOM 0 H HIS A 49 -4.537 -8.261 -2.059 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.255 -10.140 -3.987 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.363 -8.528 -4.120 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.507 -9.432 -2.885 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.572 -10.839 -4.167 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.808 -12.038 -7.566 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.557 -12.202 -6.389 1.00 0.00 H new ATOM 745 N PHE A 50 -3.837 -11.433 -1.306 1.00 0.00 N ATOM 746 CA PHE A 50 -3.599 -12.682 -0.591 1.00 0.00 C ATOM 747 C PHE A 50 -4.852 -13.126 0.159 1.00 0.00 C ATOM 748 O PHE A 50 -5.295 -14.267 0.027 1.00 0.00 O ATOM 749 CB PHE A 50 -2.435 -12.519 0.388 1.00 0.00 C ATOM 750 CG PHE A 50 -1.260 -11.785 -0.193 1.00 0.00 C ATOM 751 CD1 PHE A 50 -0.291 -12.464 -0.913 1.00 0.00 C ATOM 752 CD2 PHE A 50 -1.126 -10.417 -0.019 1.00 0.00 C ATOM 753 CE1 PHE A 50 0.791 -11.791 -1.450 1.00 0.00 C ATOM 754 CE2 PHE A 50 -0.047 -9.740 -0.553 1.00 0.00 C ATOM 755 CZ PHE A 50 0.914 -10.428 -1.269 1.00 0.00 C ATOM 0 H PHE A 50 -3.576 -10.594 -0.788 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.344 -13.449 -1.323 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.786 -11.985 1.271 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.109 -13.505 0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.381 -13.531 -1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.873 -9.874 0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.539 -12.331 -2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.046 -8.673 -0.411 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.759 -9.901 -1.686 1.00 0.00 H new ATOM 765 N ARG A 51 -5.416 -12.217 0.948 1.00 0.00 N ATOM 766 CA ARG A 51 -6.615 -12.515 1.721 1.00 0.00 C ATOM 767 C ARG A 51 -7.757 -11.579 1.334 1.00 0.00 C ATOM 768 O ARG A 51 -7.923 -10.497 1.897 1.00 0.00 O ATOM 769 CB ARG A 51 -6.326 -12.392 3.218 1.00 0.00 C ATOM 770 CG ARG A 51 -6.917 -13.521 4.046 1.00 0.00 C ATOM 771 CD ARG A 51 -8.365 -13.791 3.669 1.00 0.00 C ATOM 772 NE ARG A 51 -8.973 -14.809 4.522 1.00 0.00 N ATOM 773 CZ ARG A 51 -9.950 -15.615 4.122 1.00 0.00 C ATOM 774 NH1 ARG A 51 -10.427 -15.523 2.888 1.00 0.00 N ATOM 775 NH2 ARG A 51 -10.452 -16.516 4.957 1.00 0.00 N ATOM 0 H ARG A 51 -5.061 -11.268 1.068 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.915 -13.539 1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.247 -12.367 3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.721 -11.442 3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.328 -14.426 3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.857 -13.267 5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.937 -12.866 3.744 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.415 -14.113 2.629 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.628 -14.906 5.477 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.044 -14.832 2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.177 -16.143 2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.088 -16.590 5.907 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.202 -17.135 4.649 1.00 0.00 H new ATOM 789 N PRO A 52 -8.564 -12.005 0.350 1.00 0.00 N ATOM 790 CA PRO A 52 -9.704 -11.221 -0.134 1.00 0.00 C ATOM 791 C PRO A 52 -10.831 -11.144 0.890 1.00 0.00 C ATOM 792 O PRO A 52 -11.894 -10.587 0.617 1.00 0.00 O ATOM 793 CB PRO A 52 -10.161 -11.989 -1.376 1.00 0.00 C ATOM 794 CG PRO A 52 -9.706 -13.389 -1.145 1.00 0.00 C ATOM 795 CD PRO A 52 -8.425 -13.284 -0.365 1.00 0.00 C ATOM 0 HA PRO A 52 -9.431 -10.185 -0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.243 -11.939 -1.496 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.720 -11.574 -2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.454 -13.956 -0.592 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.546 -13.908 -2.090 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.305 -14.119 0.325 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.554 -13.285 -1.021 1.00 0.00 H new ATOM 803 N ASP A 53 -10.592 -11.707 2.069 1.00 0.00 N ATOM 804 CA ASP A 53 -11.587 -11.702 3.135 1.00 0.00 C ATOM 805 C ASP A 53 -11.155 -10.787 4.277 1.00 0.00 C ATOM 806 O ASP A 53 -11.984 -10.317 5.058 1.00 0.00 O ATOM 807 CB ASP A 53 -11.812 -13.121 3.659 1.00 0.00 C ATOM 808 CG ASP A 53 -13.056 -13.230 4.519 1.00 0.00 C ATOM 809 OD1 ASP A 53 -13.381 -12.249 5.221 1.00 0.00 O ATOM 810 OD2 ASP A 53 -13.706 -14.295 4.489 1.00 0.00 O ATOM 0 H ASP A 53 -9.717 -12.173 2.311 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.522 -11.323 2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.895 -13.807 2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.944 -13.433 4.240 1.00 0.00 H new ATOM 815 N LEU A 54 -9.854 -10.538 4.369 1.00 0.00 N ATOM 816 CA LEU A 54 -9.311 -9.680 5.416 1.00 0.00 C ATOM 817 C LEU A 54 -9.896 -8.275 5.327 1.00 0.00 C ATOM 818 O LEU A 54 -10.254 -7.675 6.341 1.00 0.00 O ATOM 819 CB LEU A 54 -7.786 -9.617 5.312 1.00 0.00 C ATOM 820 CG LEU A 54 -7.014 -10.658 6.124 1.00 0.00 C ATOM 821 CD1 LEU A 54 -5.600 -10.812 5.587 1.00 0.00 C ATOM 822 CD2 LEU A 54 -6.989 -10.274 7.596 1.00 0.00 C ATOM 0 H LEU A 54 -9.155 -10.918 3.731 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.586 -10.108 6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.509 -9.725 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.461 -8.626 5.627 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.523 -11.617 6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.066 -11.557 6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.639 -11.134 4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.080 -9.856 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.436 -11.026 8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.504 -9.305 7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.010 -10.216 7.974 1.00 0.00 H new ATOM 834 N ILE A 55 -9.993 -7.756 4.107 1.00 0.00 N ATOM 835 CA ILE A 55 -10.539 -6.423 3.885 1.00 0.00 C ATOM 836 C ILE A 55 -11.819 -6.483 3.060 1.00 0.00 C ATOM 837 O ILE A 55 -12.275 -7.562 2.680 1.00 0.00 O ATOM 838 CB ILE A 55 -9.523 -5.511 3.172 1.00 0.00 C ATOM 839 CG1 ILE A 55 -8.095 -5.974 3.465 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.716 -4.064 3.603 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.565 -6.971 2.459 1.00 0.00 C ATOM 0 H ILE A 55 -9.700 -8.239 3.257 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.763 -6.006 4.867 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.692 -5.575 2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.437 -5.105 3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.063 -6.421 4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.991 -3.432 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.725 -3.740 3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.571 -3.983 4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.548 -7.255 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.200 -7.857 2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.564 -6.521 1.466 1.00 0.00 H new ATOM 853 N ASP A 56 -12.394 -5.318 2.784 1.00 0.00 N ATOM 854 CA ASP A 56 -13.621 -5.237 2.000 1.00 0.00 C ATOM 855 C ASP A 56 -13.364 -4.563 0.656 1.00 0.00 C ATOM 856 O ASP A 56 -14.242 -3.898 0.106 1.00 0.00 O ATOM 857 CB ASP A 56 -14.695 -4.470 2.773 1.00 0.00 C ATOM 858 CG ASP A 56 -14.859 -4.974 4.193 1.00 0.00 C ATOM 859 OD1 ASP A 56 -15.287 -6.135 4.365 1.00 0.00 O ATOM 860 OD2 ASP A 56 -14.559 -4.208 5.132 1.00 0.00 O ATOM 0 H ASP A 56 -12.030 -4.416 3.092 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.973 -6.252 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.437 -3.411 2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.647 -4.555 2.248 1.00 0.00 H new ATOM 865 N TYR A 57 -12.155 -4.738 0.134 1.00 0.00 N ATOM 866 CA TYR A 57 -11.781 -4.144 -1.144 1.00 0.00 C ATOM 867 C TYR A 57 -12.754 -4.560 -2.243 1.00 0.00 C ATOM 868 O TYR A 57 -12.846 -3.911 -3.286 1.00 0.00 O ATOM 869 CB TYR A 57 -10.358 -4.555 -1.524 1.00 0.00 C ATOM 870 CG TYR A 57 -9.840 -3.865 -2.766 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.276 -4.245 -4.029 1.00 0.00 C ATOM 872 CD2 TYR A 57 -8.914 -2.833 -2.675 1.00 0.00 C ATOM 873 CE1 TYR A 57 -9.804 -3.617 -5.166 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.438 -2.198 -3.806 1.00 0.00 C ATOM 875 CZ TYR A 57 -8.886 -2.595 -5.049 1.00 0.00 C ATOM 876 OH TYR A 57 -8.415 -1.967 -6.179 1.00 0.00 O ATOM 0 H TYR A 57 -11.417 -5.286 0.576 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.823 -3.060 -1.038 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.690 -4.335 -0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.329 -5.634 -1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -10.996 -5.045 -4.124 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.560 -2.522 -1.703 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.152 -3.925 -6.141 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.720 -1.396 -3.718 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.160 -1.538 -6.649 1.00 0.00 H new ATOM 886 N LYS A 58 -13.478 -5.647 -2.003 1.00 0.00 N ATOM 887 CA LYS A 58 -14.446 -6.151 -2.970 1.00 0.00 C ATOM 888 C LYS A 58 -15.637 -5.205 -3.092 1.00 0.00 C ATOM 889 O LYS A 58 -16.349 -5.216 -4.096 1.00 0.00 O ATOM 890 CB LYS A 58 -14.929 -7.545 -2.560 1.00 0.00 C ATOM 891 CG LYS A 58 -15.722 -7.557 -1.264 1.00 0.00 C ATOM 892 CD LYS A 58 -16.544 -8.827 -1.126 1.00 0.00 C ATOM 893 CE LYS A 58 -17.724 -8.835 -2.086 1.00 0.00 C ATOM 894 NZ LYS A 58 -18.849 -9.666 -1.575 1.00 0.00 N ATOM 0 H LYS A 58 -13.413 -6.197 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.953 -6.214 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.547 -7.956 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.066 -8.203 -2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.040 -7.470 -0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.382 -6.690 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.911 -9.694 -1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.906 -8.918 -0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.070 -7.814 -2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.401 -9.217 -3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.633 -9.646 -2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.526 -10.646 -1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.174 -9.287 -0.663 1.00 0.00 H new ATOM 908 N SER A 59 -15.844 -4.387 -2.066 1.00 0.00 N ATOM 909 CA SER A 59 -16.949 -3.436 -2.058 1.00 0.00 C ATOM 910 C SER A 59 -16.466 -2.044 -1.659 1.00 0.00 C ATOM 911 O SER A 59 -17.250 -1.206 -1.213 1.00 0.00 O ATOM 912 CB SER A 59 -18.045 -3.902 -1.097 1.00 0.00 C ATOM 913 OG SER A 59 -19.163 -3.033 -1.138 1.00 0.00 O ATOM 0 H SER A 59 -15.261 -4.363 -1.229 1.00 0.00 H new ATOM 0 HA SER A 59 -17.358 -3.385 -3.067 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.357 -4.913 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.650 -3.943 -0.082 1.00 0.00 H new ATOM 0 HG SER A 59 -18.854 -2.103 -1.144 1.00 0.00 H new ATOM 919 N LEU A 60 -15.170 -1.806 -1.824 1.00 0.00 N ATOM 920 CA LEU A 60 -14.579 -0.517 -1.482 1.00 0.00 C ATOM 921 C LEU A 60 -14.754 0.482 -2.622 1.00 0.00 C ATOM 922 O LEU A 60 -15.409 0.189 -3.622 1.00 0.00 O ATOM 923 CB LEU A 60 -13.093 -0.683 -1.159 1.00 0.00 C ATOM 924 CG LEU A 60 -12.759 -1.072 0.281 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.273 -0.895 0.551 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.583 -0.248 1.261 1.00 0.00 C ATOM 0 H LEU A 60 -14.508 -2.489 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.095 -0.132 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.680 -1.441 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.585 0.254 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.010 -2.124 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.054 -1.177 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.702 -1.529 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.996 0.147 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.332 -0.538 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.364 0.810 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.644 -0.425 1.084 1.00 0.00 H new ATOM 938 N ASN A 61 -14.162 1.661 -2.465 1.00 0.00 N ATOM 939 CA ASN A 61 -14.252 2.703 -3.482 1.00 0.00 C ATOM 940 C ASN A 61 -13.322 3.867 -3.152 1.00 0.00 C ATOM 941 O ASN A 61 -12.899 4.052 -2.010 1.00 0.00 O ATOM 942 CB ASN A 61 -15.692 3.205 -3.603 1.00 0.00 C ATOM 943 CG ASN A 61 -16.525 2.351 -4.540 1.00 0.00 C ATOM 944 OD1 ASN A 61 -17.636 1.942 -4.202 1.00 0.00 O ATOM 945 ND2 ASN A 61 -15.990 2.078 -5.724 1.00 0.00 N ATOM 0 H ASN A 61 -13.615 1.919 -1.644 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.943 2.273 -4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.155 3.214 -2.616 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.686 4.234 -3.962 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.503 1.508 -6.396 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.066 2.438 -5.961 1.00 0.00 H new ATOM 952 N PRO A 62 -12.995 4.672 -4.174 1.00 0.00 N ATOM 953 CA PRO A 62 -12.114 5.832 -4.017 1.00 0.00 C ATOM 954 C PRO A 62 -12.767 6.953 -3.216 1.00 0.00 C ATOM 955 O PRO A 62 -12.186 8.024 -3.043 1.00 0.00 O ATOM 956 CB PRO A 62 -11.861 6.283 -5.458 1.00 0.00 C ATOM 957 CG PRO A 62 -13.045 5.796 -6.220 1.00 0.00 C ATOM 958 CD PRO A 62 -13.462 4.511 -5.561 1.00 0.00 C ATOM 0 HA PRO A 62 -11.206 5.582 -3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.767 7.367 -5.523 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.936 5.859 -5.849 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.853 6.527 -6.195 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.794 5.633 -7.268 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.542 4.367 -5.607 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.004 3.646 -6.041 1.00 0.00 H new ATOM 966 N GLN A 63 -13.977 6.697 -2.728 1.00 0.00 N ATOM 967 CA GLN A 63 -14.709 7.686 -1.945 1.00 0.00 C ATOM 968 C GLN A 63 -14.227 7.699 -0.498 1.00 0.00 C ATOM 969 O GLN A 63 -14.597 8.576 0.282 1.00 0.00 O ATOM 970 CB GLN A 63 -16.210 7.396 -1.992 1.00 0.00 C ATOM 971 CG GLN A 63 -16.565 5.966 -1.619 1.00 0.00 C ATOM 972 CD GLN A 63 -16.008 5.560 -0.269 1.00 0.00 C ATOM 973 OE1 GLN A 63 -16.110 6.304 0.707 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.416 4.373 -0.205 1.00 0.00 N ATOM 0 H GLN A 63 -14.471 5.814 -2.861 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.522 8.668 -2.380 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.725 8.078 -1.315 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.580 7.604 -2.996 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.649 5.856 -1.608 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.183 5.290 -2.384 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.354 3.789 -1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.024 4.046 0.678 1.00 0.00 H new ATOM 983 N ASP A 64 -13.399 6.721 -0.147 1.00 0.00 N ATOM 984 CA ASP A 64 -12.865 6.620 1.207 1.00 0.00 C ATOM 985 C ASP A 64 -11.353 6.821 1.211 1.00 0.00 C ATOM 986 O ASP A 64 -10.608 6.004 0.668 1.00 0.00 O ATOM 987 CB ASP A 64 -13.214 5.261 1.815 1.00 0.00 C ATOM 988 CG ASP A 64 -14.562 5.266 2.508 1.00 0.00 C ATOM 989 OD1 ASP A 64 -14.954 6.328 3.037 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.226 4.209 2.521 1.00 0.00 O ATOM 0 H ASP A 64 -13.083 5.987 -0.781 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.319 7.406 1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.215 4.505 1.030 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.442 4.977 2.530 1.00 0.00 H new ATOM 995 N ILE A 65 -10.907 7.911 1.825 1.00 0.00 N ATOM 996 CA ILE A 65 -9.484 8.218 1.899 1.00 0.00 C ATOM 997 C ILE A 65 -8.910 7.835 3.258 1.00 0.00 C ATOM 998 O ILE A 65 -7.818 7.272 3.347 1.00 0.00 O ATOM 999 CB ILE A 65 -9.217 9.714 1.644 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.702 10.110 0.248 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.735 10.021 1.803 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.453 11.564 -0.087 1.00 0.00 C ATOM 0 H ILE A 65 -11.511 8.597 2.279 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.993 7.632 1.122 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.770 10.298 2.379 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.204 9.484 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.770 9.905 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.561 11.081 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.418 9.771 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.162 9.431 1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.822 11.774 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -9.974 12.197 0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.383 11.770 -0.043 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.652 8.142 4.316 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.219 7.827 5.673 1.00 0.00 C ATOM 1016 C LYS A 66 -9.511 6.369 6.012 1.00 0.00 C ATOM 1017 O LYS A 66 -8.684 5.687 6.617 1.00 0.00 O ATOM 1018 CB LYS A 66 -9.917 8.745 6.679 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.635 8.387 8.127 1.00 0.00 C ATOM 1020 CD LYS A 66 -10.596 9.087 9.073 1.00 0.00 C ATOM 1021 CE LYS A 66 -10.594 10.593 8.855 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.015 11.331 10.078 1.00 0.00 N ATOM 0 H LYS A 66 -10.557 8.609 4.260 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.142 7.987 5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.602 9.773 6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.993 8.707 6.507 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.716 7.308 8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.611 8.663 8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.603 8.698 8.924 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.319 8.867 10.104 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.595 10.916 8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.264 10.842 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.001 12.354 9.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.978 11.042 10.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.361 11.114 10.857 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.690 5.898 5.618 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.089 4.521 5.881 1.00 0.00 C ATOM 1038 C GLU A 67 -10.218 3.543 5.096 1.00 0.00 C ATOM 1039 O GLU A 67 -9.484 2.746 5.677 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.561 4.314 5.518 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.058 2.901 5.775 1.00 0.00 C ATOM 1042 CD GLU A 67 -14.540 2.854 6.095 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -15.016 3.745 6.829 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -15.222 1.926 5.612 1.00 0.00 O ATOM 0 H GLU A 67 -11.385 6.450 5.116 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.954 4.328 6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.170 5.014 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.704 4.555 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.860 2.285 4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.497 2.467 6.603 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.308 3.612 3.772 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.530 2.733 2.906 1.00 0.00 C ATOM 1053 C ASN A 68 -8.157 2.453 3.509 1.00 0.00 C ATOM 1054 O ASN A 68 -7.758 1.299 3.660 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.372 3.358 1.519 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.532 3.027 0.600 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.460 2.316 0.986 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.484 3.542 -0.623 1.00 0.00 N ATOM 0 H ASN A 68 -10.912 4.267 3.275 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.066 1.789 2.812 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.288 4.440 1.619 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.444 3.007 1.069 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.236 3.353 -1.286 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.695 4.126 -0.900 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.439 3.517 3.853 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.110 3.386 4.440 1.00 0.00 C ATOM 1067 C ASN A 69 -6.178 2.669 5.785 1.00 0.00 C ATOM 1068 O ASN A 69 -5.519 1.650 5.993 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.468 4.763 4.615 1.00 0.00 C ATOM 1070 CG ASN A 69 -4.694 5.201 3.386 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.543 4.810 3.192 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.324 6.017 2.549 1.00 0.00 N ATOM 0 H ASN A 69 -7.755 4.480 3.736 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.498 2.792 3.762 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.243 5.497 4.833 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.798 4.742 5.474 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.854 6.345 1.705 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.278 6.316 2.750 1.00 0.00 H new ATOM 1079 N LYS A 70 -6.979 3.210 6.697 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.136 2.623 8.023 1.00 0.00 C ATOM 1081 C LYS A 70 -7.342 1.115 7.929 1.00 0.00 C ATOM 1082 O LYS A 70 -6.767 0.349 8.703 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.318 3.266 8.751 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.826 2.448 9.926 1.00 0.00 C ATOM 1085 CD LYS A 70 -9.924 1.487 9.502 1.00 0.00 C ATOM 1086 CE LYS A 70 -11.300 2.124 9.621 1.00 0.00 C ATOM 1087 NZ LYS A 70 -11.750 2.211 11.038 1.00 0.00 N ATOM 0 H LYS A 70 -7.530 4.054 6.542 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.223 2.813 8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.022 4.253 9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.133 3.414 8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.000 1.888 10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.205 3.116 10.699 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.756 1.172 8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.883 0.590 10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.277 3.123 9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.021 1.542 9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.751 2.491 11.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.636 1.284 11.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.178 2.919 11.541 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.166 0.693 6.975 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.447 -0.724 6.778 1.00 0.00 C ATOM 1103 C LYS A 71 -7.155 -1.516 6.605 1.00 0.00 C ATOM 1104 O LYS A 71 -7.002 -2.602 7.164 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.346 -0.921 5.555 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.776 -0.458 5.770 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.729 -1.114 4.785 1.00 0.00 C ATOM 1108 CE LYS A 71 -13.152 -1.141 5.321 1.00 0.00 C ATOM 1109 NZ LYS A 71 -14.155 -1.264 4.226 1.00 0.00 N ATOM 0 H LYS A 71 -8.651 1.313 6.326 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.963 -1.093 7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.921 -0.379 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.352 -1.977 5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.086 -0.692 6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.829 0.625 5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.706 -0.573 3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.397 -2.132 4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.264 -1.977 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.344 -0.230 5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.956 -1.842 4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.496 -0.318 3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.714 -1.718 3.401 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.228 -0.965 5.828 1.00 0.00 N ATOM 1124 CA ALA A 72 -4.948 -1.619 5.586 1.00 0.00 C ATOM 1125 C ALA A 72 -4.123 -1.703 6.866 1.00 0.00 C ATOM 1126 O ALA A 72 -3.762 -2.793 7.312 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.174 -0.878 4.505 1.00 0.00 C ATOM 0 H ALA A 72 -6.340 -0.068 5.356 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.146 -2.635 5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.220 -1.377 4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.752 -0.874 3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.995 0.148 4.825 1.00 0.00 H new ATOM 1133 N TYR A 73 -3.827 -0.548 7.451 1.00 0.00 N ATOM 1134 CA TYR A 73 -3.042 -0.492 8.678 1.00 0.00 C ATOM 1135 C TYR A 73 -3.549 -1.509 9.696 1.00 0.00 C ATOM 1136 O TYR A 73 -2.810 -1.937 10.583 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.092 0.915 9.277 1.00 0.00 C ATOM 1138 CG TYR A 73 -2.805 2.010 8.275 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -1.872 1.825 7.262 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.466 3.230 8.341 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.606 2.823 6.345 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.208 4.233 7.427 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.277 4.025 6.431 1.00 0.00 C ATOM 1144 OH TYR A 73 -2.015 5.022 5.520 1.00 0.00 O ATOM 0 H TYR A 73 -4.119 0.362 7.095 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.009 -0.737 8.430 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.078 1.081 9.712 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.370 0.980 10.091 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.346 0.885 7.190 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.194 3.397 9.121 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.877 2.663 5.565 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.732 5.175 7.492 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.553 4.878 4.714 1.00 0.00 H new ATOM 1154 N ASP A 74 -4.814 -1.891 9.561 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.421 -2.859 10.467 1.00 0.00 C ATOM 1156 C ASP A 74 -4.967 -4.276 10.132 1.00 0.00 C ATOM 1157 O ASP A 74 -4.717 -5.085 11.024 1.00 0.00 O ATOM 1158 CB ASP A 74 -6.946 -2.768 10.397 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.511 -1.744 11.361 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -7.453 -1.986 12.585 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -8.010 -0.700 10.892 1.00 0.00 O ATOM 0 H ASP A 74 -5.439 -1.545 8.833 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.097 -2.624 11.481 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.245 -2.510 9.381 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.376 -3.745 10.617 1.00 0.00 H new ATOM 1166 N GLY A 75 -4.864 -4.569 8.839 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.442 -5.889 8.409 1.00 0.00 C ATOM 1168 C GLY A 75 -2.935 -6.050 8.426 1.00 0.00 C ATOM 1169 O GLY A 75 -2.416 -7.059 8.904 1.00 0.00 O ATOM 0 H GLY A 75 -5.065 -3.916 8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.892 -6.640 9.058 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.813 -6.075 7.401 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.229 -5.053 7.902 1.00 0.00 N ATOM 1174 CA PHE A 76 -0.772 -5.089 7.856 1.00 0.00 C ATOM 1175 C PHE A 76 -0.183 -5.058 9.263 1.00 0.00 C ATOM 1176 O PHE A 76 0.739 -5.809 9.579 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.237 -3.911 7.040 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.621 -3.963 5.589 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.325 -5.077 4.820 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.277 -2.898 4.994 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.677 -5.128 3.484 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.632 -2.944 3.659 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.331 -4.060 2.903 1.00 0.00 C ATOM 0 H PHE A 76 -2.643 -4.210 7.503 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.471 -6.020 7.376 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.608 -2.982 7.473 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.850 -3.888 7.119 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.187 -5.915 5.269 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.514 -2.022 5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.441 -6.002 2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.145 -2.108 3.207 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.607 -4.097 1.859 1.00 0.00 H new ATOM 1193 N ALA A 77 -0.722 -4.182 10.105 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.252 -4.052 11.478 1.00 0.00 C ATOM 1195 C ALA A 77 -0.657 -5.262 12.314 1.00 0.00 C ATOM 1196 O ALA A 77 -0.100 -5.503 13.384 1.00 0.00 O ATOM 1197 CB ALA A 77 -0.790 -2.773 12.102 1.00 0.00 C ATOM 0 H ALA A 77 -1.485 -3.551 9.859 1.00 0.00 H new ATOM 0 HA ALA A 77 0.837 -4.004 11.460 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.431 -2.689 13.128 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.446 -1.914 11.526 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.880 -2.798 12.100 1.00 0.00 H new ATOM 1203 N SER A 78 -1.630 -6.019 11.817 1.00 0.00 N ATOM 1204 CA SER A 78 -2.113 -7.201 12.521 1.00 0.00 C ATOM 1205 C SER A 78 -1.049 -8.294 12.540 1.00 0.00 C ATOM 1206 O SER A 78 -0.778 -8.895 13.580 1.00 0.00 O ATOM 1207 CB SER A 78 -3.389 -7.728 11.861 1.00 0.00 C ATOM 1208 OG SER A 78 -3.777 -8.970 12.421 1.00 0.00 O ATOM 0 H SER A 78 -2.099 -5.835 10.930 1.00 0.00 H new ATOM 0 HA SER A 78 -2.335 -6.916 13.549 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.193 -7.002 11.985 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.227 -7.843 10.789 1.00 0.00 H new ATOM 0 HG SER A 78 -4.596 -9.285 11.983 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.449 -8.547 11.381 1.00 0.00 N ATOM 1215 CA ILE A 79 0.587 -9.567 11.264 1.00 0.00 C ATOM 1216 C ILE A 79 1.856 -9.148 11.999 1.00 0.00 C ATOM 1217 O ILE A 79 2.556 -9.980 12.574 1.00 0.00 O ATOM 1218 CB ILE A 79 0.931 -9.853 9.791 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.056 -8.543 9.009 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.127 -10.751 9.165 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.712 -8.707 7.656 1.00 0.00 C ATOM 0 H ILE A 79 -0.662 -8.060 10.510 1.00 0.00 H new ATOM 0 HA ILE A 79 0.190 -10.475 11.718 1.00 0.00 H new ATOM 0 HB ILE A 79 1.890 -10.370 9.751 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.063 -8.115 8.873 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.632 -7.831 9.599 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.130 -10.944 8.123 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.172 -11.694 9.709 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.098 -10.258 9.214 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.767 -7.739 7.159 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.718 -9.106 7.785 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.124 -9.394 7.048 1.00 0.00 H new ATOM 1233 N GLY A 80 2.146 -7.851 11.976 1.00 0.00 N ATOM 1234 CA GLY A 80 3.330 -7.343 12.645 1.00 0.00 C ATOM 1235 C GLY A 80 4.027 -6.260 11.847 1.00 0.00 C ATOM 1236 O GLY A 80 5.256 -6.187 11.828 1.00 0.00 O ATOM 0 H GLY A 80 1.582 -7.143 11.506 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.050 -6.947 13.621 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.025 -8.164 12.821 1.00 0.00 H new ATOM 1240 N ILE A 81 3.242 -5.417 11.184 1.00 0.00 N ATOM 1241 CA ILE A 81 3.791 -4.333 10.380 1.00 0.00 C ATOM 1242 C ILE A 81 3.585 -2.984 11.062 1.00 0.00 C ATOM 1243 O ILE A 81 2.544 -2.348 10.901 1.00 0.00 O ATOM 1244 CB ILE A 81 3.153 -4.290 8.980 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.383 -5.615 8.250 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.718 -3.130 8.174 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.776 -5.656 6.865 1.00 0.00 C ATOM 0 H ILE A 81 2.223 -5.464 11.188 1.00 0.00 H new ATOM 0 HA ILE A 81 4.859 -4.527 10.277 1.00 0.00 H new ATOM 0 HB ILE A 81 2.079 -4.139 9.092 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.455 -5.797 8.173 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.964 -6.426 8.846 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.256 -3.114 7.187 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.507 -2.193 8.689 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.796 -3.251 8.068 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.978 -6.624 6.408 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.699 -5.506 6.935 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.213 -4.867 6.253 1.00 0.00 H new ATOM 1259 N SER A 82 4.586 -2.552 11.822 1.00 0.00 N ATOM 1260 CA SER A 82 4.515 -1.280 12.530 1.00 0.00 C ATOM 1261 C SER A 82 3.830 -0.219 11.673 1.00 0.00 C ATOM 1262 O SER A 82 4.065 -0.133 10.468 1.00 0.00 O ATOM 1263 CB SER A 82 5.917 -0.809 12.921 1.00 0.00 C ATOM 1264 OG SER A 82 6.485 -1.658 13.904 1.00 0.00 O ATOM 0 H SER A 82 5.456 -3.065 11.963 1.00 0.00 H new ATOM 0 HA SER A 82 3.925 -1.429 13.434 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.557 -0.790 12.039 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.868 0.211 13.301 1.00 0.00 H new ATOM 0 HG SER A 82 7.381 -1.337 14.135 1.00 0.00 H new ATOM 1270 N ARG A 83 2.983 0.586 12.305 1.00 0.00 N ATOM 1271 CA ARG A 83 2.262 1.641 11.601 1.00 0.00 C ATOM 1272 C ARG A 83 3.109 2.906 11.505 1.00 0.00 C ATOM 1273 O ARG A 83 3.597 3.418 12.514 1.00 0.00 O ATOM 1274 CB ARG A 83 0.943 1.949 12.312 1.00 0.00 C ATOM 1275 CG ARG A 83 -0.043 0.793 12.294 1.00 0.00 C ATOM 1276 CD ARG A 83 -0.949 0.814 13.516 1.00 0.00 C ATOM 1277 NE ARG A 83 -2.232 0.167 13.257 1.00 0.00 N ATOM 1278 CZ ARG A 83 -3.201 0.069 14.160 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -3.033 0.572 15.375 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -4.341 -0.535 13.849 1.00 0.00 N ATOM 0 H ARG A 83 2.779 0.529 13.303 1.00 0.00 H new ATOM 0 HA ARG A 83 2.048 1.290 10.591 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.153 2.221 13.347 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.481 2.817 11.842 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.649 0.844 11.389 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.502 -0.151 12.260 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.451 0.312 14.345 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.119 1.846 13.824 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.393 -0.232 12.332 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.158 1.036 15.618 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.779 0.495 16.066 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.474 -0.925 12.916 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.085 -0.610 14.543 1.00 0.00 H new ATOM 1294 N LEU A 84 3.280 3.406 10.286 1.00 0.00 N ATOM 1295 CA LEU A 84 4.068 4.613 10.058 1.00 0.00 C ATOM 1296 C LEU A 84 3.184 5.757 9.574 1.00 0.00 C ATOM 1297 O LEU A 84 3.216 6.858 10.127 1.00 0.00 O ATOM 1298 CB LEU A 84 5.172 4.338 9.035 1.00 0.00 C ATOM 1299 CG LEU A 84 6.092 3.156 9.341 1.00 0.00 C ATOM 1300 CD1 LEU A 84 7.214 3.074 8.318 1.00 0.00 C ATOM 1301 CD2 LEU A 84 6.659 3.273 10.748 1.00 0.00 C ATOM 0 H LEU A 84 2.884 2.995 9.441 1.00 0.00 H new ATOM 0 HA LEU A 84 4.522 4.906 11.005 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.706 4.168 8.064 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.785 5.235 8.942 1.00 0.00 H new ATOM 0 HG LEU A 84 5.506 2.239 9.281 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.859 2.227 8.552 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.790 2.943 7.322 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.799 3.993 8.345 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.312 2.423 10.949 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.230 4.198 10.835 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.842 3.282 11.470 1.00 0.00 H new ATOM 1313 N LEU A 85 2.393 5.491 8.541 1.00 0.00 N ATOM 1314 CA LEU A 85 1.497 6.499 7.983 1.00 0.00 C ATOM 1315 C LEU A 85 0.137 6.458 8.672 1.00 0.00 C ATOM 1316 O LEU A 85 -0.273 5.423 9.196 1.00 0.00 O ATOM 1317 CB LEU A 85 1.326 6.282 6.479 1.00 0.00 C ATOM 1318 CG LEU A 85 0.672 7.427 5.705 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.580 8.647 5.689 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.338 6.990 4.287 1.00 0.00 C ATOM 0 H LEU A 85 2.353 4.586 8.072 1.00 0.00 H new ATOM 0 HA LEU A 85 1.942 7.480 8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.308 6.092 6.046 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.731 5.381 6.328 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.256 7.697 6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.098 9.452 5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.768 8.974 6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.525 8.391 5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.127 7.818 3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.252 6.693 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.351 6.146 4.319 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.559 7.591 8.665 1.00 0.00 N ATOM 1333 CA GLU A 86 -1.874 7.683 9.288 1.00 0.00 C ATOM 1334 C GLU A 86 -2.964 7.858 8.234 1.00 0.00 C ATOM 1335 O GLU A 86 -2.763 8.484 7.194 1.00 0.00 O ATOM 1336 CB GLU A 86 -1.914 8.851 10.276 1.00 0.00 C ATOM 1337 CG GLU A 86 -0.949 8.696 11.440 1.00 0.00 C ATOM 1338 CD GLU A 86 -1.554 7.933 12.602 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -2.777 8.059 12.821 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -0.805 7.211 13.293 1.00 0.00 O ATOM 0 H GLU A 86 -0.234 8.457 8.235 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.058 6.754 9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.683 9.774 9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.927 8.952 10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.053 8.178 11.098 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.636 9.683 11.782 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.148 7.289 8.509 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.293 7.367 7.598 1.00 0.00 C ATOM 1349 C PRO A 87 -5.876 8.774 7.519 1.00 0.00 C ATOM 1350 O PRO A 87 -6.072 9.315 6.431 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.306 6.402 8.218 1.00 0.00 C ATOM 1352 CG PRO A 87 -5.951 6.359 9.665 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.459 6.527 9.730 1.00 0.00 C ATOM 0 HA PRO A 87 -5.017 7.116 6.574 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.328 6.752 8.071 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.240 5.413 7.764 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.457 7.152 10.215 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.257 5.414 10.114 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.154 7.065 10.628 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.947 5.565 9.745 1.00 0.00 H new ATOM 1361 N SER A 88 -6.152 9.361 8.679 1.00 0.00 N ATOM 1362 CA SER A 88 -6.716 10.704 8.741 1.00 0.00 C ATOM 1363 C SER A 88 -5.773 11.720 8.104 1.00 0.00 C ATOM 1364 O SER A 88 -6.195 12.569 7.319 1.00 0.00 O ATOM 1365 CB SER A 88 -6.999 11.095 10.193 1.00 0.00 C ATOM 1366 OG SER A 88 -7.756 10.095 10.852 1.00 0.00 O ATOM 0 H SER A 88 -5.994 8.928 9.589 1.00 0.00 H new ATOM 0 HA SER A 88 -7.652 10.704 8.183 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.058 11.250 10.721 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.539 12.041 10.219 1.00 0.00 H new ATOM 0 HG SER A 88 -7.922 10.368 11.779 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.493 11.626 8.448 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.488 12.535 7.909 1.00 0.00 C ATOM 1374 C ASP A 89 -3.696 12.750 6.414 1.00 0.00 C ATOM 1375 O ASP A 89 -3.767 13.886 5.944 1.00 0.00 O ATOM 1376 CB ASP A 89 -2.083 11.987 8.168 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.000 13.003 7.861 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -1.255 14.213 8.036 1.00 0.00 O ATOM 1379 OD2 ASP A 89 0.102 12.587 7.448 1.00 0.00 O ATOM 0 H ASP A 89 -4.127 10.930 9.097 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.594 13.495 8.414 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.003 11.678 9.210 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.925 11.097 7.559 1.00 0.00 H new ATOM 1384 N MET A 90 -3.790 11.653 5.670 1.00 0.00 N ATOM 1385 CA MET A 90 -3.990 11.723 4.227 1.00 0.00 C ATOM 1386 C MET A 90 -5.139 12.665 3.882 1.00 0.00 C ATOM 1387 O MET A 90 -5.071 13.412 2.907 1.00 0.00 O ATOM 1388 CB MET A 90 -4.270 10.329 3.662 1.00 0.00 C ATOM 1389 CG MET A 90 -3.126 9.349 3.865 1.00 0.00 C ATOM 1390 SD MET A 90 -1.906 9.420 2.539 1.00 0.00 S ATOM 1391 CE MET A 90 -1.804 7.692 2.080 1.00 0.00 C ATOM 0 H MET A 90 -3.731 10.705 6.042 1.00 0.00 H new ATOM 0 HA MET A 90 -3.077 12.113 3.777 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.168 9.929 4.133 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.480 10.414 2.596 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.636 9.560 4.816 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.527 8.337 3.931 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.855 7.504 1.577 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.869 7.073 2.975 1.00 0.00 H new ATOM 0 HE3 MET A 90 -2.626 7.445 1.408 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.195 12.623 4.689 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.359 13.473 4.469 1.00 0.00 C ATOM 1403 C VAL A 91 -7.039 14.932 4.772 1.00 0.00 C ATOM 1404 O VAL A 91 -7.367 15.827 3.992 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.551 13.029 5.337 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.760 13.914 5.077 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.883 11.567 5.078 1.00 0.00 C ATOM 0 H VAL A 91 -6.268 12.010 5.501 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.629 13.374 3.418 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.274 13.134 6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.592 13.585 5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.513 14.948 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.043 13.844 4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.728 11.270 5.700 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.141 11.433 4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.019 10.949 5.321 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.395 15.166 5.911 1.00 0.00 N ATOM 1418 CA LEU A 92 -6.029 16.518 6.319 1.00 0.00 C ATOM 1419 C LEU A 92 -5.246 17.226 5.217 1.00 0.00 C ATOM 1420 O LEU A 92 -5.652 18.284 4.734 1.00 0.00 O ATOM 1421 CB LEU A 92 -5.200 16.477 7.604 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.789 15.665 8.757 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.861 15.696 9.961 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -7.168 16.191 9.130 1.00 0.00 C ATOM 0 H LEU A 92 -6.116 14.437 6.568 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.947 17.077 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.217 16.071 7.365 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -5.048 17.500 7.947 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.893 14.630 8.431 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.297 15.112 10.772 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.895 15.271 9.687 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.724 16.727 10.289 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.572 15.601 9.953 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -7.089 17.234 9.436 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.832 16.115 8.269 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.123 16.635 4.823 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.284 17.207 3.777 1.00 0.00 C ATOM 1438 C LEU A 93 -3.740 16.742 2.397 1.00 0.00 C ATOM 1439 O LEU A 93 -4.359 15.687 2.261 1.00 0.00 O ATOM 1440 CB LEU A 93 -1.821 16.820 4.000 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.519 15.321 4.023 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -1.196 14.820 2.624 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.371 15.023 4.977 1.00 0.00 C ATOM 0 H LEU A 93 -3.773 15.760 5.213 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.378 18.292 3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.221 17.279 3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.492 17.251 4.946 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.406 14.796 4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.984 13.751 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.048 14.999 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.325 15.350 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.170 13.952 4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.521 15.559 4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.641 15.345 5.983 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.428 17.535 1.378 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.802 17.203 0.009 1.00 0.00 C ATOM 1457 C ALA A 94 -2.942 16.067 -0.534 1.00 0.00 C ATOM 1458 O ALA A 94 -3.428 14.956 -0.750 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.684 18.429 -0.883 1.00 0.00 C ATOM 0 H ALA A 94 -2.917 18.412 1.475 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.840 16.869 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.966 18.166 -1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.346 19.213 -0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.655 18.789 -0.873 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.663 16.352 -0.754 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.736 15.353 -1.272 1.00 0.00 C ATOM 1467 C ILE A 95 0.203 14.856 -0.179 1.00 0.00 C ATOM 1468 O ILE A 95 0.913 15.629 0.464 1.00 0.00 O ATOM 1469 CB ILE A 95 0.102 15.913 -2.437 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.813 16.458 -3.536 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.023 14.837 -2.992 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -2.023 15.589 -3.801 1.00 0.00 C ATOM 0 H ILE A 95 -1.245 17.266 -0.582 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.339 14.521 -1.636 1.00 0.00 H new ATOM 0 HB ILE A 95 0.717 16.732 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.147 17.457 -3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.240 16.560 -4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.608 15.248 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.694 14.492 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.427 13.999 -3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.626 16.036 -4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.697 14.596 -4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.619 15.508 -2.892 1.00 0.00 H new ATOM 1484 N PRO A 96 0.210 13.532 0.038 1.00 0.00 N ATOM 1485 CA PRO A 96 1.060 12.900 1.052 1.00 0.00 C ATOM 1486 C PRO A 96 2.538 12.946 0.680 1.00 0.00 C ATOM 1487 O PRO A 96 2.889 13.057 -0.494 1.00 0.00 O ATOM 1488 CB PRO A 96 0.561 11.453 1.082 1.00 0.00 C ATOM 1489 CG PRO A 96 -0.030 11.229 -0.268 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.610 12.550 -0.691 1.00 0.00 C ATOM 0 HA PRO A 96 0.993 13.408 2.014 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.377 10.757 1.278 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.180 11.306 1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.728 10.892 -0.975 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.800 10.458 -0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.542 12.692 -1.770 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.664 12.630 -0.425 1.00 0.00 H new ATOM 1498 N ASP A 97 3.399 12.860 1.688 1.00 0.00 N ATOM 1499 CA ASP A 97 4.840 12.890 1.467 1.00 0.00 C ATOM 1500 C ASP A 97 5.319 11.591 0.825 1.00 0.00 C ATOM 1501 O ASP A 97 5.347 10.542 1.469 1.00 0.00 O ATOM 1502 CB ASP A 97 5.576 13.122 2.787 1.00 0.00 C ATOM 1503 CG ASP A 97 5.628 14.588 3.170 1.00 0.00 C ATOM 1504 OD1 ASP A 97 4.558 15.166 3.452 1.00 0.00 O ATOM 1505 OD2 ASP A 97 6.740 15.158 3.188 1.00 0.00 O ATOM 0 H ASP A 97 3.124 12.769 2.666 1.00 0.00 H new ATOM 0 HA ASP A 97 5.061 13.713 0.788 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.082 12.560 3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.591 12.734 2.707 1.00 0.00 H new ATOM 1510 N LYS A 98 5.693 11.668 -0.447 1.00 0.00 N ATOM 1511 CA LYS A 98 6.171 10.500 -1.177 1.00 0.00 C ATOM 1512 C LYS A 98 7.171 9.708 -0.341 1.00 0.00 C ATOM 1513 O LYS A 98 7.027 8.497 -0.165 1.00 0.00 O ATOM 1514 CB LYS A 98 6.818 10.927 -2.497 1.00 0.00 C ATOM 1515 CG LYS A 98 7.294 9.761 -3.346 1.00 0.00 C ATOM 1516 CD LYS A 98 8.277 10.213 -4.413 1.00 0.00 C ATOM 1517 CE LYS A 98 9.261 9.108 -4.768 1.00 0.00 C ATOM 1518 NZ LYS A 98 10.034 9.429 -6.000 1.00 0.00 N ATOM 0 H LYS A 98 5.674 12.528 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 98 5.315 9.860 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.101 11.514 -3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.665 11.579 -2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.766 9.014 -2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.438 9.281 -3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.732 10.517 -5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.823 11.088 -4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.949 8.954 -3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.720 8.173 -4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.693 8.652 -6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.379 9.551 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.570 10.308 -5.854 1.00 0.00 H new ATOM 1532 N LEU A 99 8.183 10.398 0.173 1.00 0.00 N ATOM 1533 CA LEU A 99 9.207 9.758 0.992 1.00 0.00 C ATOM 1534 C LEU A 99 8.574 8.863 2.053 1.00 0.00 C ATOM 1535 O LEU A 99 8.856 7.666 2.120 1.00 0.00 O ATOM 1536 CB LEU A 99 10.088 10.816 1.660 1.00 0.00 C ATOM 1537 CG LEU A 99 10.687 11.873 0.732 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.471 12.902 1.532 1.00 0.00 C ATOM 1539 CD2 LEU A 99 11.576 11.221 -0.316 1.00 0.00 C ATOM 0 H LEU A 99 8.317 11.400 0.037 1.00 0.00 H new ATOM 0 HA LEU A 99 9.824 9.138 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.497 11.323 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.904 10.309 2.175 1.00 0.00 H new ATOM 0 HG LEU A 99 9.871 12.384 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.890 13.647 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.807 13.392 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.278 12.406 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.994 11.989 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.386 10.684 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.986 10.523 -0.910 1.00 0.00 H new ATOM 1551 N THR A 100 7.716 9.451 2.881 1.00 0.00 N ATOM 1552 CA THR A 100 7.043 8.707 3.938 1.00 0.00 C ATOM 1553 C THR A 100 6.374 7.453 3.388 1.00 0.00 C ATOM 1554 O THR A 100 6.824 6.335 3.641 1.00 0.00 O ATOM 1555 CB THR A 100 5.982 9.572 4.646 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.564 10.810 5.071 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.401 8.841 5.846 1.00 0.00 C ATOM 0 H THR A 100 7.471 10.440 2.840 1.00 0.00 H new ATOM 0 HA THR A 100 7.809 8.421 4.659 1.00 0.00 H new ATOM 0 HB THR A 100 5.177 9.773 3.939 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.883 11.355 5.518 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.655 9.471 6.330 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.934 7.913 5.516 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.198 8.614 6.554 1.00 0.00 H new ATOM 1565 N VAL A 101 5.297 7.645 2.633 1.00 0.00 N ATOM 1566 CA VAL A 101 4.567 6.528 2.044 1.00 0.00 C ATOM 1567 C VAL A 101 5.520 5.433 1.578 1.00 0.00 C ATOM 1568 O VAL A 101 5.421 4.285 2.009 1.00 0.00 O ATOM 1569 CB VAL A 101 3.706 6.986 0.852 1.00 0.00 C ATOM 1570 CG1 VAL A 101 3.027 5.795 0.195 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.679 8.015 1.301 1.00 0.00 C ATOM 0 H VAL A 101 4.911 8.563 2.415 1.00 0.00 H new ATOM 0 HA VAL A 101 3.915 6.131 2.822 1.00 0.00 H new ATOM 0 HB VAL A 101 4.358 7.455 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.423 6.138 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.784 5.097 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.387 5.295 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.079 8.328 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.030 7.575 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.191 8.881 1.721 1.00 0.00 H new ATOM 1581 N MET A 102 6.444 5.797 0.695 1.00 0.00 N ATOM 1582 CA MET A 102 7.417 4.846 0.171 1.00 0.00 C ATOM 1583 C MET A 102 8.077 4.064 1.303 1.00 0.00 C ATOM 1584 O MET A 102 8.251 2.848 1.213 1.00 0.00 O ATOM 1585 CB MET A 102 8.482 5.573 -0.651 1.00 0.00 C ATOM 1586 CG MET A 102 8.032 5.917 -2.062 1.00 0.00 C ATOM 1587 SD MET A 102 9.398 6.423 -3.124 1.00 0.00 S ATOM 1588 CE MET A 102 9.812 4.866 -3.908 1.00 0.00 C ATOM 0 H MET A 102 6.539 6.744 0.327 1.00 0.00 H new ATOM 0 HA MET A 102 6.889 4.143 -0.473 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.764 6.491 -0.135 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.375 4.950 -0.705 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.536 5.052 -2.502 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.295 6.719 -2.019 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.894 4.791 -4.019 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.452 4.042 -3.292 1.00 0.00 H new ATOM 0 HE3 MET A 102 9.342 4.817 -4.890 1.00 0.00 H new ATOM 1598 N THR A 103 8.444 4.770 2.368 1.00 0.00 N ATOM 1599 CA THR A 103 9.086 4.143 3.516 1.00 0.00 C ATOM 1600 C THR A 103 8.213 3.038 4.099 1.00 0.00 C ATOM 1601 O THR A 103 8.711 1.984 4.496 1.00 0.00 O ATOM 1602 CB THR A 103 9.394 5.173 4.619 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.275 6.183 4.114 1.00 0.00 O ATOM 1604 CG2 THR A 103 10.027 4.499 5.827 1.00 0.00 C ATOM 0 H THR A 103 8.307 5.777 2.459 1.00 0.00 H new ATOM 0 HA THR A 103 10.022 3.713 3.159 1.00 0.00 H new ATOM 0 HB THR A 103 8.455 5.632 4.929 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.813 6.706 3.426 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.236 5.246 6.593 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.342 3.751 6.227 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.957 4.016 5.528 1.00 0.00 H new ATOM 1612 N TYR A 104 6.908 3.284 4.145 1.00 0.00 N ATOM 1613 CA TYR A 104 5.965 2.309 4.681 1.00 0.00 C ATOM 1614 C TYR A 104 5.778 1.143 3.715 1.00 0.00 C ATOM 1615 O TYR A 104 5.759 -0.019 4.121 1.00 0.00 O ATOM 1616 CB TYR A 104 4.617 2.974 4.963 1.00 0.00 C ATOM 1617 CG TYR A 104 3.593 2.037 5.563 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.883 1.297 6.702 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.335 1.892 4.990 1.00 0.00 C ATOM 1620 CE1 TYR A 104 2.951 0.439 7.253 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.396 1.038 5.535 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.709 0.313 6.667 1.00 0.00 C ATOM 1623 OH TYR A 104 0.778 -0.540 7.213 1.00 0.00 O ATOM 0 H TYR A 104 6.479 4.150 3.818 1.00 0.00 H new ATOM 0 HA TYR A 104 6.374 1.921 5.614 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.770 3.813 5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.222 3.383 4.033 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.854 1.394 7.165 1.00 0.00 H new ATOM 0 HD2 TYR A 104 2.087 2.457 4.103 1.00 0.00 H new ATOM 0 HE1 TYR A 104 3.194 -0.130 8.138 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.423 0.938 5.078 1.00 0.00 H new ATOM 0 HH TYR A 104 0.918 -0.600 8.181 1.00 0.00 H new ATOM 1633 N LEU A 105 5.642 1.463 2.433 1.00 0.00 N ATOM 1634 CA LEU A 105 5.457 0.444 1.405 1.00 0.00 C ATOM 1635 C LEU A 105 6.575 -0.593 1.459 1.00 0.00 C ATOM 1636 O LEU A 105 6.319 -1.796 1.501 1.00 0.00 O ATOM 1637 CB LEU A 105 5.411 1.090 0.020 1.00 0.00 C ATOM 1638 CG LEU A 105 4.044 1.596 -0.440 1.00 0.00 C ATOM 1639 CD1 LEU A 105 4.190 2.506 -1.649 1.00 0.00 C ATOM 1640 CD2 LEU A 105 3.123 0.427 -0.759 1.00 0.00 C ATOM 0 H LEU A 105 5.656 2.420 2.080 1.00 0.00 H new ATOM 0 HA LEU A 105 4.509 -0.060 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.109 1.927 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.772 0.365 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 105 3.600 2.173 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.206 2.856 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.813 3.361 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.655 1.954 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.154 0.806 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.563 -0.176 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.992 -0.186 0.132 1.00 0.00 H new ATOM 1652 N TYR A 106 7.815 -0.117 1.460 1.00 0.00 N ATOM 1653 CA TYR A 106 8.973 -1.002 1.508 1.00 0.00 C ATOM 1654 C TYR A 106 8.803 -2.063 2.592 1.00 0.00 C ATOM 1655 O TYR A 106 9.315 -3.175 2.471 1.00 0.00 O ATOM 1656 CB TYR A 106 10.247 -0.196 1.764 1.00 0.00 C ATOM 1657 CG TYR A 106 10.668 0.661 0.591 1.00 0.00 C ATOM 1658 CD1 TYR A 106 10.826 0.111 -0.675 1.00 0.00 C ATOM 1659 CD2 TYR A 106 10.906 2.021 0.749 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.211 0.889 -1.749 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.290 2.807 -0.320 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.441 2.237 -1.567 1.00 0.00 C ATOM 1663 OH TYR A 106 11.823 3.016 -2.634 1.00 0.00 O ATOM 0 H TYR A 106 8.044 0.876 1.428 1.00 0.00 H new ATOM 0 HA TYR A 106 9.056 -1.503 0.544 1.00 0.00 H new ATOM 0 HB2 TYR A 106 10.094 0.443 2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 106 11.057 -0.882 2.011 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.645 -0.943 -0.822 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.789 2.471 1.724 1.00 0.00 H new ATOM 0 HE1 TYR A 106 11.331 0.445 -2.726 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.471 3.862 -0.180 1.00 0.00 H new ATOM 0 HH TYR A 106 11.959 3.939 -2.333 1.00 0.00 H new ATOM 1673 N GLN A 107 8.080 -1.709 3.649 1.00 0.00 N ATOM 1674 CA GLN A 107 7.841 -2.629 4.754 1.00 0.00 C ATOM 1675 C GLN A 107 6.926 -3.771 4.324 1.00 0.00 C ATOM 1676 O GLN A 107 7.303 -4.941 4.392 1.00 0.00 O ATOM 1677 CB GLN A 107 7.227 -1.886 5.941 1.00 0.00 C ATOM 1678 CG GLN A 107 7.874 -0.539 6.217 1.00 0.00 C ATOM 1679 CD GLN A 107 7.761 -0.124 7.671 1.00 0.00 C ATOM 1680 OE1 GLN A 107 8.765 0.135 8.335 1.00 0.00 O ATOM 1681 NE2 GLN A 107 6.533 -0.057 8.173 1.00 0.00 N ATOM 0 H GLN A 107 7.649 -0.791 3.763 1.00 0.00 H new ATOM 0 HA GLN A 107 8.800 -3.051 5.056 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.163 -1.737 5.755 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.311 -2.509 6.831 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.926 -0.581 5.936 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.407 0.220 5.589 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.729 -0.280 7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.394 0.218 9.145 1.00 0.00 H new ATOM 1690 N ILE A 108 5.722 -3.422 3.881 1.00 0.00 N ATOM 1691 CA ILE A 108 4.754 -4.418 3.440 1.00 0.00 C ATOM 1692 C ILE A 108 5.365 -5.360 2.408 1.00 0.00 C ATOM 1693 O ILE A 108 5.224 -6.579 2.504 1.00 0.00 O ATOM 1694 CB ILE A 108 3.501 -3.756 2.835 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.749 -2.965 3.907 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.596 -4.807 2.211 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.229 -1.538 4.054 1.00 0.00 C ATOM 0 H ILE A 108 5.395 -2.458 3.818 1.00 0.00 H new ATOM 0 HA ILE A 108 4.464 -4.988 4.323 1.00 0.00 H new ATOM 0 HB ILE A 108 3.814 -3.065 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.686 -2.959 3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.854 -3.475 4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.715 -4.324 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.136 -5.331 1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.287 -5.521 2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.651 -1.038 4.831 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.284 -1.535 4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.098 -1.011 3.109 1.00 0.00 H new ATOM 1709 N ARG A 109 6.046 -4.786 1.421 1.00 0.00 N ATOM 1710 CA ARG A 109 6.680 -5.574 0.371 1.00 0.00 C ATOM 1711 C ARG A 109 7.757 -6.487 0.951 1.00 0.00 C ATOM 1712 O ARG A 109 7.962 -7.602 0.474 1.00 0.00 O ATOM 1713 CB ARG A 109 7.292 -4.654 -0.687 1.00 0.00 C ATOM 1714 CG ARG A 109 8.311 -5.345 -1.578 1.00 0.00 C ATOM 1715 CD ARG A 109 9.104 -4.341 -2.400 1.00 0.00 C ATOM 1716 NE ARG A 109 10.004 -4.996 -3.346 1.00 0.00 N ATOM 1717 CZ ARG A 109 11.144 -5.579 -2.993 1.00 0.00 C ATOM 1718 NH1 ARG A 109 11.521 -5.588 -1.722 1.00 0.00 N ATOM 1719 NH2 ARG A 109 11.909 -6.154 -3.911 1.00 0.00 N ATOM 0 H ARG A 109 6.173 -3.778 1.327 1.00 0.00 H new ATOM 0 HA ARG A 109 5.915 -6.194 -0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.494 -4.248 -1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.770 -3.810 -0.190 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.993 -5.934 -0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.801 -6.041 -2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.416 -3.694 -2.943 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.682 -3.702 -1.732 1.00 0.00 H new ATOM 0 HE ARG A 109 9.743 -5.006 -4.332 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.935 -5.147 -1.013 1.00 0.00 H new ATOM 0 HH12 ARG A 109 12.397 -6.036 -1.453 1.00 0.00 H new ATOM 0 HH21 ARG A 109 11.622 -6.149 -4.890 1.00 0.00 H new ATOM 0 HH22 ARG A 109 12.784 -6.601 -3.638 1.00 0.00 H new ATOM 1733 N ALA A 110 8.441 -6.004 1.983 1.00 0.00 N ATOM 1734 CA ALA A 110 9.495 -6.776 2.629 1.00 0.00 C ATOM 1735 C ALA A 110 8.914 -7.944 3.420 1.00 0.00 C ATOM 1736 O ALA A 110 9.339 -9.088 3.259 1.00 0.00 O ATOM 1737 CB ALA A 110 10.324 -5.881 3.539 1.00 0.00 C ATOM 0 H ALA A 110 8.284 -5.082 2.389 1.00 0.00 H new ATOM 0 HA ALA A 110 10.141 -7.183 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.107 -6.471 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.777 -5.084 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.682 -5.446 4.305 1.00 0.00 H new ATOM 1743 N HIS A 111 7.941 -7.647 4.276 1.00 0.00 N ATOM 1744 CA HIS A 111 7.302 -8.673 5.092 1.00 0.00 C ATOM 1745 C HIS A 111 6.950 -9.896 4.251 1.00 0.00 C ATOM 1746 O HIS A 111 7.229 -11.031 4.639 1.00 0.00 O ATOM 1747 CB HIS A 111 6.041 -8.116 5.754 1.00 0.00 C ATOM 1748 CG HIS A 111 5.352 -9.097 6.652 1.00 0.00 C ATOM 1749 ND1 HIS A 111 5.518 -9.110 8.021 1.00 0.00 N ATOM 1750 CD2 HIS A 111 4.490 -10.101 6.369 1.00 0.00 C ATOM 1751 CE1 HIS A 111 4.789 -10.081 8.541 1.00 0.00 C ATOM 1752 NE2 HIS A 111 4.155 -10.698 7.560 1.00 0.00 N ATOM 0 H HIS A 111 7.578 -6.705 4.422 1.00 0.00 H new ATOM 0 HA HIS A 111 8.007 -8.977 5.866 1.00 0.00 H new ATOM 0 HB2 HIS A 111 6.305 -7.230 6.332 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.345 -7.795 4.979 1.00 0.00 H new ATOM 0 HD2 HIS A 111 4.132 -10.381 5.389 1.00 0.00 H new ATOM 0 HE1 HIS A 111 4.723 -10.328 9.590 1.00 0.00 H new ATOM 0 HE2 HIS A 111 3.520 -11.489 7.669 1.00 0.00 H new ATOM 1761 N PHE A 112 6.337 -9.658 3.096 1.00 0.00 N ATOM 1762 CA PHE A 112 5.945 -10.740 2.201 1.00 0.00 C ATOM 1763 C PHE A 112 7.156 -11.292 1.454 1.00 0.00 C ATOM 1764 O PHE A 112 7.458 -12.483 1.534 1.00 0.00 O ATOM 1765 CB PHE A 112 4.896 -10.249 1.202 1.00 0.00 C ATOM 1766 CG PHE A 112 3.578 -9.907 1.836 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.817 -10.885 2.456 1.00 0.00 C ATOM 1768 CD2 PHE A 112 3.100 -8.606 1.812 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.605 -10.573 3.041 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.889 -8.288 2.396 1.00 0.00 C ATOM 1771 CZ PHE A 112 1.139 -9.273 3.010 1.00 0.00 C ATOM 0 H PHE A 112 6.101 -8.725 2.758 1.00 0.00 H new ATOM 0 HA PHE A 112 5.516 -11.540 2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.281 -9.369 0.686 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.738 -11.018 0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.176 -11.903 2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.681 -7.832 1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.022 -11.345 3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.529 -7.270 2.373 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.191 -9.027 3.465 1.00 0.00 H new ATOM 1781 N SER A 113 7.844 -10.418 0.726 1.00 0.00 N ATOM 1782 CA SER A 113 9.019 -10.818 -0.039 1.00 0.00 C ATOM 1783 C SER A 113 10.277 -10.147 0.506 1.00 0.00 C ATOM 1784 O SER A 113 10.386 -8.921 0.512 1.00 0.00 O ATOM 1785 CB SER A 113 8.837 -10.463 -1.516 1.00 0.00 C ATOM 1786 OG SER A 113 10.067 -10.541 -2.215 1.00 0.00 O ATOM 0 H SER A 113 7.608 -9.429 0.650 1.00 0.00 H new ATOM 0 HA SER A 113 9.134 -11.898 0.056 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.114 -11.141 -1.970 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.429 -9.456 -1.604 1.00 0.00 H new ATOM 0 HG SER A 113 9.923 -10.311 -3.157 1.00 0.00 H new ATOM 1792 N SER A 114 11.223 -10.960 0.963 1.00 0.00 N ATOM 1793 CA SER A 114 12.472 -10.447 1.513 1.00 0.00 C ATOM 1794 C SER A 114 13.581 -10.478 0.466 1.00 0.00 C ATOM 1795 O SER A 114 13.393 -10.985 -0.639 1.00 0.00 O ATOM 1796 CB SER A 114 12.888 -11.264 2.738 1.00 0.00 C ATOM 1797 OG SER A 114 11.888 -11.225 3.741 1.00 0.00 O ATOM 0 H SER A 114 11.149 -11.977 0.963 1.00 0.00 H new ATOM 0 HA SER A 114 12.310 -9.412 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 114 13.073 -12.297 2.444 1.00 0.00 H new ATOM 0 HB3 SER A 114 13.824 -10.874 3.138 1.00 0.00 H new ATOM 0 HG SER A 114 12.177 -11.756 4.512 1.00 0.00 H new ATOM 1803 N GLY A 115 14.740 -9.932 0.823 1.00 0.00 N ATOM 1804 CA GLY A 115 15.863 -9.906 -0.095 1.00 0.00 C ATOM 1805 C GLY A 115 16.440 -11.286 -0.342 1.00 0.00 C ATOM 1806 O GLY A 115 15.767 -12.303 -0.176 1.00 0.00 O ATOM 0 H GLY A 115 14.921 -9.507 1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.544 -9.474 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.641 -9.256 0.305 1.00 0.00 H new ATOM 1810 N PRO A 116 17.717 -11.332 -0.751 1.00 0.00 N ATOM 1811 CA PRO A 116 18.413 -12.592 -1.031 1.00 0.00 C ATOM 1812 C PRO A 116 18.686 -13.397 0.234 1.00 0.00 C ATOM 1813 O PRO A 116 19.030 -12.838 1.276 1.00 0.00 O ATOM 1814 CB PRO A 116 19.728 -12.136 -1.669 1.00 0.00 C ATOM 1815 CG PRO A 116 19.948 -10.760 -1.142 1.00 0.00 C ATOM 1816 CD PRO A 116 18.580 -10.159 -0.970 1.00 0.00 C ATOM 0 HA PRO A 116 17.822 -13.252 -1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 116 20.550 -12.799 -1.399 1.00 0.00 H new ATOM 0 HB3 PRO A 116 19.661 -12.137 -2.757 1.00 0.00 H new ATOM 0 HG2 PRO A 116 20.485 -10.786 -0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 116 20.550 -10.169 -1.833 1.00 0.00 H new ATOM 0 HD2 PRO A 116 18.546 -9.472 -0.124 1.00 0.00 H new ATOM 0 HD3 PRO A 116 18.275 -9.595 -1.851 1.00 0.00 H new ATOM 1824 N SER A 117 18.531 -14.714 0.137 1.00 0.00 N ATOM 1825 CA SER A 117 18.758 -15.597 1.276 1.00 0.00 C ATOM 1826 C SER A 117 20.246 -15.694 1.600 1.00 0.00 C ATOM 1827 O SER A 117 21.094 -15.320 0.790 1.00 0.00 O ATOM 1828 CB SER A 117 18.195 -16.990 0.988 1.00 0.00 C ATOM 1829 OG SER A 117 16.799 -16.936 0.748 1.00 0.00 O ATOM 0 H SER A 117 18.249 -15.193 -0.718 1.00 0.00 H new ATOM 0 HA SER A 117 18.243 -15.176 2.139 1.00 0.00 H new ATOM 0 HB2 SER A 117 18.700 -17.418 0.122 1.00 0.00 H new ATOM 0 HB3 SER A 117 18.397 -17.649 1.832 1.00 0.00 H new ATOM 0 HG SER A 117 16.463 -17.838 0.565 1.00 0.00 H new ATOM 1835 N SER A 118 20.554 -16.200 2.790 1.00 0.00 N ATOM 1836 CA SER A 118 21.938 -16.343 3.224 1.00 0.00 C ATOM 1837 C SER A 118 22.139 -17.658 3.971 1.00 0.00 C ATOM 1838 O SER A 118 21.257 -18.114 4.697 1.00 0.00 O ATOM 1839 CB SER A 118 22.339 -15.169 4.118 1.00 0.00 C ATOM 1840 OG SER A 118 23.739 -15.148 4.337 1.00 0.00 O ATOM 0 H SER A 118 19.864 -16.518 3.470 1.00 0.00 H new ATOM 0 HA SER A 118 22.572 -16.347 2.338 1.00 0.00 H new ATOM 0 HB2 SER A 118 22.026 -14.233 3.656 1.00 0.00 H new ATOM 0 HB3 SER A 118 21.820 -15.242 5.074 1.00 0.00 H new ATOM 0 HG SER A 118 23.969 -14.387 4.910 1.00 0.00 H new ATOM 1846 N GLY A 119 23.309 -18.263 3.787 1.00 0.00 N ATOM 1847 CA GLY A 119 23.606 -19.520 4.450 1.00 0.00 C ATOM 1848 C GLY A 119 24.014 -19.330 5.897 1.00 0.00 C ATOM 1849 O GLY A 119 24.145 -20.299 6.645 1.00 0.00 O ATOM 0 H GLY A 119 24.056 -17.906 3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 119 22.730 -20.167 4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 119 24.407 -20.030 3.914 1.00 0.00 H new TER 1853 GLY A 119