USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 985 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: B 30 SER OG : rot -154:sc= 0.775 USER MOD Set 1.2: B 72 SER OG : rot -110:sc= 0.692 USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0.00894 USER MOD Single : B -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -2 SER OG : rot 180:sc= -0.0422 USER MOD Single : B -9 SER OG : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 16:sc= 0.504 USER MOD Single : B 17 LYS NZ :NH3+ -166:sc= -0.0528 (180deg=-0.374) USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.204 USER MOD Single : B 20 GLN : amide:sc= -0.55 K(o=-0.55,f=-10!) USER MOD Single : B 22 GLN : amide:sc= -4.32 K(o=-4.3,f=-6.8!) USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.0897 USER MOD Single : B 31 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 33 THR OG1 : rot 180:sc=-0.00356 USER MOD Single : B 34 THR OG1 : rot -51:sc= 0.809 USER MOD Single : B 42 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.7!) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 161:sc= -0.0806 (180deg=-0.475) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot -63:sc= 1.05 USER MOD Single : B 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ -174:sc= 0.042 (180deg=0.036) USER MOD Single : B -10 SER OG : rot 180:sc= 0 USER MOD Single : B -11 HIS : no HD1:sc= -0.0225 X(o=-0.023,f=0) USER MOD Single : B -12 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.31) USER MOD Single : B -13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -14 HIS : no HE2:sc= -0.807 K(o=-0.81,f=-2.3!) USER MOD Single : B -15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -16 HIS : no HD1:sc=-0.000547 X(o=-0.00055,f=0) USER MOD Single : B -17 SER OG : rot 180:sc= 0 USER MOD Single : B -18 SER OG : rot 180:sc= 0 USER MOD Single : B -20 MET CE :methyl 155:sc= -0.257 (180deg=-0.931) USER MOD Single : B -20 MET N :NH3+ 131:sc= 1.36 (180deg=0.599) USER MOD Single : B 103 SER OG : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot -110:sc= -0.846 USER MOD Single : B 109 GLN : amide:sc= -0.0299 K(o=-0.03,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 1 N MET B -20 53.642 -10.074 -7.405 1.00 0.00 N ATOM 2 CA MET B -20 52.225 -10.382 -7.081 1.00 0.00 C ATOM 3 C MET B -20 51.846 -9.818 -5.716 1.00 0.00 C ATOM 4 O MET B -20 52.690 -9.287 -4.996 1.00 0.00 O ATOM 5 CB MET B -20 51.991 -11.896 -7.096 1.00 0.00 C ATOM 6 CG MET B -20 52.186 -12.536 -8.464 1.00 0.00 C ATOM 7 SD MET B -20 53.918 -12.619 -8.960 1.00 0.00 S ATOM 8 CE MET B -20 54.587 -13.682 -7.683 1.00 0.00 C ATOM 0 H1 MET B -20 54.122 -10.940 -7.723 1.00 0.00 H new ATOM 0 H2 MET B -20 53.678 -9.361 -8.161 1.00 0.00 H new ATOM 0 H3 MET B -20 54.120 -9.705 -6.558 1.00 0.00 H new ATOM 0 HA MET B -20 51.597 -9.915 -7.840 1.00 0.00 H new ATOM 0 HB2 MET B -20 52.671 -12.366 -6.385 1.00 0.00 H new ATOM 0 HB3 MET B -20 50.978 -12.101 -6.751 1.00 0.00 H new ATOM 0 HG2 MET B -20 51.768 -13.543 -8.451 1.00 0.00 H new ATOM 0 HG3 MET B -20 51.627 -11.968 -9.208 1.00 0.00 H new ATOM 0 HE1 MET B -20 55.480 -14.183 -8.057 1.00 0.00 H new ATOM 0 HE2 MET B -20 54.846 -13.083 -6.810 1.00 0.00 H new ATOM 0 HE3 MET B -20 53.843 -14.428 -7.404 1.00 0.00 H new ATOM 20 N GLY B -19 50.567 -9.938 -5.368 1.00 0.00 N ATOM 21 CA GLY B -19 50.096 -9.434 -4.090 1.00 0.00 C ATOM 22 C GLY B -19 48.951 -8.453 -4.239 1.00 0.00 C ATOM 23 O GLY B -19 48.521 -7.838 -3.263 1.00 0.00 O ATOM 0 H GLY B -19 49.850 -10.375 -5.947 1.00 0.00 H new ATOM 0 HA2 GLY B -19 49.775 -10.271 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY B -19 50.921 -8.948 -3.568 1.00 0.00 H new ATOM 27 N SER B -18 48.457 -8.304 -5.465 1.00 0.00 N ATOM 28 CA SER B -18 47.355 -7.388 -5.740 1.00 0.00 C ATOM 29 C SER B -18 46.013 -8.106 -5.637 1.00 0.00 C ATOM 30 O SER B -18 45.954 -9.335 -5.643 1.00 0.00 O ATOM 31 CB SER B -18 47.512 -6.774 -7.133 1.00 0.00 C ATOM 32 OG SER B -18 47.519 -7.774 -8.136 1.00 0.00 O ATOM 0 H SER B -18 48.802 -8.806 -6.283 1.00 0.00 H new ATOM 0 HA SER B -18 47.380 -6.593 -4.994 1.00 0.00 H new ATOM 0 HB2 SER B -18 46.697 -6.075 -7.319 1.00 0.00 H new ATOM 0 HB3 SER B -18 48.439 -6.203 -7.179 1.00 0.00 H new ATOM 0 HG SER B -18 47.619 -7.354 -9.016 1.00 0.00 H new ATOM 38 N SER B -17 44.940 -7.328 -5.541 1.00 0.00 N ATOM 39 CA SER B -17 43.596 -7.888 -5.435 1.00 0.00 C ATOM 40 C SER B -17 42.964 -8.048 -6.813 1.00 0.00 C ATOM 41 O SER B -17 42.838 -7.082 -7.566 1.00 0.00 O ATOM 42 CB SER B -17 42.717 -6.994 -4.558 1.00 0.00 C ATOM 43 OG SER B -17 43.258 -6.868 -3.254 1.00 0.00 O ATOM 0 H SER B -17 44.974 -6.309 -5.534 1.00 0.00 H new ATOM 0 HA SER B -17 43.674 -8.873 -4.975 1.00 0.00 H new ATOM 0 HB2 SER B -17 42.626 -6.008 -5.014 1.00 0.00 H new ATOM 0 HB3 SER B -17 41.712 -7.412 -4.499 1.00 0.00 H new ATOM 0 HG SER B -17 42.679 -6.291 -2.714 1.00 0.00 H new ATOM 49 N HIS B -16 42.570 -9.275 -7.139 1.00 0.00 N ATOM 50 CA HIS B -16 41.950 -9.562 -8.427 1.00 0.00 C ATOM 51 C HIS B -16 40.430 -9.498 -8.326 1.00 0.00 C ATOM 52 O HIS B -16 39.831 -10.090 -7.429 1.00 0.00 O ATOM 53 CB HIS B -16 42.381 -10.943 -8.927 1.00 0.00 C ATOM 54 CG HIS B -16 43.860 -11.075 -9.119 1.00 0.00 C ATOM 55 ND1 HIS B -16 44.472 -10.974 -10.350 1.00 0.00 N ATOM 56 CD2 HIS B -16 44.853 -11.303 -8.225 1.00 0.00 C ATOM 57 CE1 HIS B -16 45.776 -11.135 -10.207 1.00 0.00 C ATOM 58 NE2 HIS B -16 46.032 -11.335 -8.927 1.00 0.00 N ATOM 0 H HIS B -16 42.669 -10.086 -6.529 1.00 0.00 H new ATOM 0 HA HIS B -16 42.281 -8.805 -9.138 1.00 0.00 H new ATOM 0 HB2 HIS B -16 42.046 -11.699 -8.216 1.00 0.00 H new ATOM 0 HB3 HIS B -16 41.880 -11.151 -9.873 1.00 0.00 H new ATOM 0 HD2 HIS B -16 44.738 -11.435 -7.159 1.00 0.00 H new ATOM 0 HE1 HIS B -16 46.507 -11.108 -11.001 1.00 0.00 H new ATOM 0 HE2 HIS B -16 46.957 -11.488 -8.525 1.00 0.00 H new ATOM 67 N HIS B -15 39.812 -8.775 -9.256 1.00 0.00 N ATOM 68 CA HIS B -15 38.360 -8.632 -9.273 1.00 0.00 C ATOM 69 C HIS B -15 37.733 -9.572 -10.298 1.00 0.00 C ATOM 70 O HIS B -15 38.015 -9.480 -11.494 1.00 0.00 O ATOM 71 CB HIS B -15 37.975 -7.185 -9.590 1.00 0.00 C ATOM 72 CG HIS B -15 38.495 -6.196 -8.593 1.00 0.00 C ATOM 73 ND1 HIS B -15 37.720 -5.675 -7.577 1.00 0.00 N ATOM 74 CD2 HIS B -15 39.717 -5.631 -8.461 1.00 0.00 C ATOM 75 CE1 HIS B -15 38.445 -4.831 -6.864 1.00 0.00 C ATOM 76 NE2 HIS B -15 39.660 -4.786 -7.379 1.00 0.00 N ATOM 0 H HIS B -15 40.294 -8.280 -10.007 1.00 0.00 H new ATOM 0 HA HIS B -15 37.981 -8.895 -8.285 1.00 0.00 H new ATOM 0 HB2 HIS B -15 38.353 -6.925 -10.579 1.00 0.00 H new ATOM 0 HB3 HIS B -15 36.889 -7.108 -9.634 1.00 0.00 H new ATOM 0 HD2 HIS B -15 40.577 -5.811 -9.089 1.00 0.00 H new ATOM 0 HE1 HIS B -15 38.102 -4.273 -6.006 1.00 0.00 H new ATOM 0 HE2 HIS B -15 40.431 -4.216 -7.030 1.00 0.00 H new ATOM 85 N HIS B -14 36.885 -10.478 -9.823 1.00 0.00 N ATOM 86 CA HIS B -14 36.220 -11.436 -10.696 1.00 0.00 C ATOM 87 C HIS B -14 34.715 -11.456 -10.435 1.00 0.00 C ATOM 88 O HIS B -14 34.263 -11.937 -9.397 1.00 0.00 O ATOM 89 CB HIS B -14 36.801 -12.836 -10.492 1.00 0.00 C ATOM 90 CG HIS B -14 38.265 -12.926 -10.798 1.00 0.00 C ATOM 91 ND1 HIS B -14 38.756 -13.399 -11.996 1.00 0.00 N ATOM 92 CD2 HIS B -14 39.347 -12.597 -10.053 1.00 0.00 C ATOM 93 CE1 HIS B -14 40.075 -13.362 -11.975 1.00 0.00 C ATOM 94 NE2 HIS B -14 40.460 -12.877 -10.808 1.00 0.00 N ATOM 0 H HIS B -14 36.642 -10.568 -8.836 1.00 0.00 H new ATOM 0 HA HIS B -14 36.390 -11.127 -11.727 1.00 0.00 H new ATOM 0 HB2 HIS B -14 36.634 -13.143 -9.460 1.00 0.00 H new ATOM 0 HB3 HIS B -14 36.262 -13.540 -11.125 1.00 0.00 H new ATOM 0 HD1 HIS B -14 38.188 -13.727 -12.777 1.00 0.00 H new ATOM 0 HD2 HIS B -14 39.337 -12.191 -9.052 1.00 0.00 H new ATOM 0 HE1 HIS B -14 40.729 -13.675 -12.776 1.00 0.00 H new ATOM 103 N HIS B -13 33.949 -10.928 -11.386 1.00 0.00 N ATOM 104 CA HIS B -13 32.494 -10.882 -11.268 1.00 0.00 C ATOM 105 C HIS B -13 32.070 -10.120 -10.016 1.00 0.00 C ATOM 106 O HIS B -13 32.898 -9.514 -9.335 1.00 0.00 O ATOM 107 CB HIS B -13 31.918 -12.300 -11.237 1.00 0.00 C ATOM 108 CG HIS B -13 32.220 -13.096 -12.468 1.00 0.00 C ATOM 109 ND1 HIS B -13 31.315 -13.272 -13.492 1.00 0.00 N ATOM 110 CD2 HIS B -13 33.337 -13.768 -12.837 1.00 0.00 C ATOM 111 CE1 HIS B -13 31.860 -14.017 -14.439 1.00 0.00 C ATOM 112 NE2 HIS B -13 33.088 -14.330 -14.063 1.00 0.00 N ATOM 0 H HIS B -13 34.313 -10.525 -12.249 1.00 0.00 H new ATOM 0 HA HIS B -13 32.102 -10.357 -12.139 1.00 0.00 H new ATOM 0 HB2 HIS B -13 32.315 -12.825 -10.368 1.00 0.00 H new ATOM 0 HB3 HIS B -13 30.837 -12.242 -11.108 1.00 0.00 H new ATOM 0 HD2 HIS B -13 34.253 -13.847 -12.271 1.00 0.00 H new ATOM 0 HE1 HIS B -13 31.384 -14.318 -15.361 1.00 0.00 H new ATOM 0 HE2 HIS B -13 33.745 -14.898 -14.598 1.00 0.00 H new ATOM 121 N HIS B -12 30.775 -10.151 -9.721 1.00 0.00 N ATOM 122 CA HIS B -12 30.237 -9.464 -8.552 1.00 0.00 C ATOM 123 C HIS B -12 30.220 -10.388 -7.338 1.00 0.00 C ATOM 124 O HIS B -12 30.698 -11.521 -7.402 1.00 0.00 O ATOM 125 CB HIS B -12 28.825 -8.950 -8.839 1.00 0.00 C ATOM 126 CG HIS B -12 27.864 -10.027 -9.242 1.00 0.00 C ATOM 127 ND1 HIS B -12 27.586 -10.336 -10.557 1.00 0.00 N ATOM 128 CD2 HIS B -12 27.112 -10.869 -8.494 1.00 0.00 C ATOM 129 CE1 HIS B -12 26.706 -11.319 -10.602 1.00 0.00 C ATOM 130 NE2 HIS B -12 26.402 -11.660 -9.361 1.00 0.00 N ATOM 0 H HIS B -12 30.077 -10.646 -10.276 1.00 0.00 H new ATOM 0 HA HIS B -12 30.885 -8.616 -8.331 1.00 0.00 H new ATOM 0 HB2 HIS B -12 28.443 -8.448 -7.950 1.00 0.00 H new ATOM 0 HB3 HIS B -12 28.873 -8.203 -9.631 1.00 0.00 H new ATOM 0 HD2 HIS B -12 27.078 -10.910 -7.415 1.00 0.00 H new ATOM 0 HE1 HIS B -12 26.304 -11.768 -11.498 1.00 0.00 H new ATOM 0 HE2 HIS B -12 25.746 -12.393 -9.092 1.00 0.00 H new ATOM 139 N HIS B -11 29.664 -9.893 -6.235 1.00 0.00 N ATOM 140 CA HIS B -11 29.580 -10.666 -4.998 1.00 0.00 C ATOM 141 C HIS B -11 30.968 -11.068 -4.508 1.00 0.00 C ATOM 142 O HIS B -11 31.548 -12.044 -4.983 1.00 0.00 O ATOM 143 CB HIS B -11 28.714 -11.914 -5.206 1.00 0.00 C ATOM 144 CG HIS B -11 28.514 -12.721 -3.962 1.00 0.00 C ATOM 145 ND1 HIS B -11 27.431 -12.558 -3.124 1.00 0.00 N ATOM 146 CD2 HIS B -11 29.264 -13.709 -3.416 1.00 0.00 C ATOM 147 CE1 HIS B -11 27.524 -13.405 -2.116 1.00 0.00 C ATOM 148 NE2 HIS B -11 28.626 -14.117 -2.270 1.00 0.00 N ATOM 0 H HIS B -11 29.264 -8.957 -6.172 1.00 0.00 H new ATOM 0 HA HIS B -11 29.118 -10.036 -4.238 1.00 0.00 H new ATOM 0 HB2 HIS B -11 27.741 -11.610 -5.592 1.00 0.00 H new ATOM 0 HB3 HIS B -11 29.176 -12.543 -5.967 1.00 0.00 H new ATOM 0 HD2 HIS B -11 30.190 -14.102 -3.809 1.00 0.00 H new ATOM 0 HE1 HIS B -11 26.819 -13.500 -1.303 1.00 0.00 H new ATOM 0 HE2 HIS B -11 28.951 -14.851 -1.640 1.00 0.00 H new ATOM 157 N SER B -10 31.492 -10.307 -3.551 1.00 0.00 N ATOM 158 CA SER B -10 32.811 -10.582 -2.993 1.00 0.00 C ATOM 159 C SER B -10 33.000 -9.865 -1.660 1.00 0.00 C ATOM 160 O SER B -10 32.752 -8.664 -1.550 1.00 0.00 O ATOM 161 CB SER B -10 33.904 -10.149 -3.974 1.00 0.00 C ATOM 162 OG SER B -10 35.195 -10.400 -3.445 1.00 0.00 O ATOM 0 H SER B -10 31.023 -9.496 -3.147 1.00 0.00 H new ATOM 0 HA SER B -10 32.887 -11.656 -2.823 1.00 0.00 H new ATOM 0 HB2 SER B -10 33.784 -10.684 -4.916 1.00 0.00 H new ATOM 0 HB3 SER B -10 33.799 -9.087 -4.195 1.00 0.00 H new ATOM 0 HG SER B -10 35.874 -10.116 -4.092 1.00 0.00 H new ATOM 168 N SER B -9 33.437 -10.610 -0.648 1.00 0.00 N ATOM 169 CA SER B -9 33.658 -10.046 0.679 1.00 0.00 C ATOM 170 C SER B -9 34.808 -10.755 1.386 1.00 0.00 C ATOM 171 O SER B -9 35.357 -11.732 0.875 1.00 0.00 O ATOM 172 CB SER B -9 32.384 -10.155 1.518 1.00 0.00 C ATOM 173 OG SER B -9 31.983 -11.505 1.668 1.00 0.00 O ATOM 0 H SER B -9 33.645 -11.606 -0.722 1.00 0.00 H new ATOM 0 HA SER B -9 33.920 -8.995 0.562 1.00 0.00 H new ATOM 0 HB2 SER B -9 32.553 -9.712 2.499 1.00 0.00 H new ATOM 0 HB3 SER B -9 31.584 -9.586 1.045 1.00 0.00 H new ATOM 0 HG SER B -9 31.167 -11.546 2.210 1.00 0.00 H new ATOM 179 N GLY B -8 35.169 -10.254 2.564 1.00 0.00 N ATOM 180 CA GLY B -8 36.253 -10.849 3.323 1.00 0.00 C ATOM 181 C GLY B -8 37.414 -9.895 3.524 1.00 0.00 C ATOM 182 O GLY B -8 38.566 -10.319 3.625 1.00 0.00 O ATOM 0 H GLY B -8 34.730 -9.446 3.006 1.00 0.00 H new ATOM 0 HA2 GLY B -8 35.878 -11.170 4.295 1.00 0.00 H new ATOM 0 HA3 GLY B -8 36.606 -11.742 2.807 1.00 0.00 H new ATOM 186 N LEU B -7 37.111 -8.603 3.580 1.00 0.00 N ATOM 187 CA LEU B -7 38.138 -7.582 3.769 1.00 0.00 C ATOM 188 C LEU B -7 37.628 -6.450 4.656 1.00 0.00 C ATOM 189 O LEU B -7 36.516 -6.512 5.181 1.00 0.00 O ATOM 190 CB LEU B -7 38.596 -7.032 2.415 1.00 0.00 C ATOM 191 CG LEU B -7 37.492 -6.865 1.364 1.00 0.00 C ATOM 192 CD1 LEU B -7 36.532 -5.754 1.760 1.00 0.00 C ATOM 193 CD2 LEU B -7 38.097 -6.588 -0.003 1.00 0.00 C ATOM 0 H LEU B -7 36.163 -8.236 3.497 1.00 0.00 H new ATOM 0 HA LEU B -7 38.989 -8.045 4.267 1.00 0.00 H new ATOM 0 HB2 LEU B -7 39.069 -6.064 2.577 1.00 0.00 H new ATOM 0 HB3 LEU B -7 39.360 -7.697 2.012 1.00 0.00 H new ATOM 0 HG LEU B -7 36.928 -7.796 1.310 1.00 0.00 H new ATOM 0 HD11 LEU B -7 35.758 -5.654 0.999 1.00 0.00 H new ATOM 0 HD12 LEU B -7 36.071 -5.996 2.718 1.00 0.00 H new ATOM 0 HD13 LEU B -7 37.078 -4.815 1.847 1.00 0.00 H new ATOM 0 HD21 LEU B -7 37.300 -6.472 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU B -7 38.687 -5.673 0.039 1.00 0.00 H new ATOM 0 HD23 LEU B -7 38.738 -7.420 -0.292 1.00 0.00 H new ATOM 205 N VAL B -6 38.453 -5.420 4.822 1.00 0.00 N ATOM 206 CA VAL B -6 38.092 -4.271 5.649 1.00 0.00 C ATOM 207 C VAL B -6 36.788 -3.629 5.171 1.00 0.00 C ATOM 208 O VAL B -6 36.454 -3.700 3.989 1.00 0.00 O ATOM 209 CB VAL B -6 39.207 -3.207 5.646 1.00 0.00 C ATOM 210 CG1 VAL B -6 40.494 -3.780 6.220 1.00 0.00 C ATOM 211 CG2 VAL B -6 39.433 -2.670 4.239 1.00 0.00 C ATOM 0 H VAL B -6 39.377 -5.357 4.395 1.00 0.00 H new ATOM 0 HA VAL B -6 37.956 -4.644 6.664 1.00 0.00 H new ATOM 0 HB VAL B -6 38.892 -2.377 6.279 1.00 0.00 H new ATOM 0 HG11 VAL B -6 41.270 -3.014 6.210 1.00 0.00 H new ATOM 0 HG12 VAL B -6 40.321 -4.108 7.245 1.00 0.00 H new ATOM 0 HG13 VAL B -6 40.815 -4.629 5.617 1.00 0.00 H new ATOM 0 HG21 VAL B -6 40.224 -1.920 4.258 1.00 0.00 H new ATOM 0 HG22 VAL B -6 39.724 -3.488 3.580 1.00 0.00 H new ATOM 0 HG23 VAL B -6 38.513 -2.217 3.870 1.00 0.00 H new ATOM 221 N PRO B -5 36.035 -2.996 6.089 1.00 0.00 N ATOM 222 CA PRO B -5 34.765 -2.341 5.753 1.00 0.00 C ATOM 223 C PRO B -5 34.912 -1.342 4.612 1.00 0.00 C ATOM 224 O PRO B -5 35.863 -0.561 4.575 1.00 0.00 O ATOM 225 CB PRO B -5 34.379 -1.620 7.048 1.00 0.00 C ATOM 226 CG PRO B -5 35.071 -2.379 8.126 1.00 0.00 C ATOM 227 CD PRO B -5 36.359 -2.867 7.523 1.00 0.00 C ATOM 0 HA PRO B -5 34.018 -3.057 5.410 1.00 0.00 H new ATOM 0 HB2 PRO B -5 34.698 -0.578 7.031 1.00 0.00 H new ATOM 0 HB3 PRO B -5 33.299 -1.621 7.194 1.00 0.00 H new ATOM 0 HG2 PRO B -5 35.261 -1.744 8.991 1.00 0.00 H new ATOM 0 HG3 PRO B -5 34.460 -3.213 8.471 1.00 0.00 H new ATOM 0 HD2 PRO B -5 37.174 -2.162 7.690 1.00 0.00 H new ATOM 0 HD3 PRO B -5 36.669 -3.820 7.953 1.00 0.00 H new ATOM 235 N ARG B -4 33.964 -1.373 3.680 1.00 0.00 N ATOM 236 CA ARG B -4 33.983 -0.472 2.533 1.00 0.00 C ATOM 237 C ARG B -4 32.940 0.632 2.689 1.00 0.00 C ATOM 238 O ARG B -4 32.309 0.758 3.739 1.00 0.00 O ATOM 239 CB ARG B -4 33.731 -1.250 1.242 1.00 0.00 C ATOM 240 CG ARG B -4 34.764 -2.334 0.975 1.00 0.00 C ATOM 241 CD ARG B -4 34.464 -3.082 -0.316 1.00 0.00 C ATOM 242 NE ARG B -4 33.156 -3.729 -0.283 1.00 0.00 N ATOM 243 CZ ARG B -4 32.651 -4.423 -1.298 1.00 0.00 C ATOM 244 NH1 ARG B -4 33.341 -4.558 -2.424 1.00 0.00 N ATOM 245 NH2 ARG B -4 31.454 -4.983 -1.191 1.00 0.00 N ATOM 0 H ARG B -4 33.171 -2.014 3.697 1.00 0.00 H new ATOM 0 HA ARG B -4 34.969 -0.010 2.483 1.00 0.00 H new ATOM 0 HB2 ARG B -4 32.742 -1.706 1.289 1.00 0.00 H new ATOM 0 HB3 ARG B -4 33.722 -0.554 0.403 1.00 0.00 H new ATOM 0 HG2 ARG B -4 35.756 -1.886 0.916 1.00 0.00 H new ATOM 0 HG3 ARG B -4 34.780 -3.036 1.809 1.00 0.00 H new ATOM 0 HD2 ARG B -4 34.503 -2.387 -1.155 1.00 0.00 H new ATOM 0 HD3 ARG B -4 35.235 -3.833 -0.487 1.00 0.00 H new ATOM 0 HE ARG B -4 32.598 -3.644 0.567 1.00 0.00 H new ATOM 0 HH11 ARG B -4 34.262 -4.128 -2.512 1.00 0.00 H new ATOM 0 HH12 ARG B -4 32.950 -5.091 -3.201 1.00 0.00 H new ATOM 0 HH21 ARG B -4 30.919 -4.882 -0.329 1.00 0.00 H new ATOM 0 HH22 ARG B -4 31.068 -5.515 -1.971 1.00 0.00 H new ATOM 259 N GLY B -3 32.768 1.427 1.637 1.00 0.00 N ATOM 260 CA GLY B -3 31.801 2.509 1.675 1.00 0.00 C ATOM 261 C GLY B -3 30.373 2.011 1.786 1.00 0.00 C ATOM 262 O GLY B -3 30.127 0.804 1.783 1.00 0.00 O ATOM 0 H GLY B -3 33.281 1.341 0.759 1.00 0.00 H new ATOM 0 HA2 GLY B -3 32.022 3.159 2.521 1.00 0.00 H new ATOM 0 HA3 GLY B -3 31.902 3.114 0.774 1.00 0.00 H new ATOM 266 N SER B -2 29.430 2.943 1.885 1.00 0.00 N ATOM 267 CA SER B -2 28.018 2.594 1.997 1.00 0.00 C ATOM 268 C SER B -2 27.399 2.370 0.621 1.00 0.00 C ATOM 269 O SER B -2 27.919 2.844 -0.389 1.00 0.00 O ATOM 270 CB SER B -2 27.257 3.693 2.740 1.00 0.00 C ATOM 271 OG SER B -2 25.882 3.374 2.857 1.00 0.00 O ATOM 0 H SER B -2 29.618 3.945 1.890 1.00 0.00 H new ATOM 0 HA SER B -2 27.944 1.665 2.562 1.00 0.00 H new ATOM 0 HB2 SER B -2 27.687 3.830 3.732 1.00 0.00 H new ATOM 0 HB3 SER B -2 27.370 4.639 2.210 1.00 0.00 H new ATOM 0 HG SER B -2 25.419 4.092 3.337 1.00 0.00 H new ATOM 277 N HIS B -1 26.283 1.645 0.589 1.00 0.00 N ATOM 278 CA HIS B -1 25.593 1.356 -0.662 1.00 0.00 C ATOM 279 C HIS B -1 24.173 1.912 -0.641 1.00 0.00 C ATOM 280 O HIS B -1 23.720 2.447 0.371 1.00 0.00 O ATOM 281 CB HIS B -1 25.558 -0.153 -0.914 1.00 0.00 C ATOM 282 CG HIS B -1 26.916 -0.782 -0.975 1.00 0.00 C ATOM 283 ND1 HIS B -1 27.473 -1.474 0.081 1.00 0.00 N ATOM 284 CD2 HIS B -1 27.830 -0.822 -1.973 1.00 0.00 C ATOM 285 CE1 HIS B -1 28.669 -1.913 -0.265 1.00 0.00 C ATOM 286 NE2 HIS B -1 28.909 -1.531 -1.506 1.00 0.00 N ATOM 0 H HIS B -1 25.839 1.248 1.417 1.00 0.00 H new ATOM 0 HA HIS B -1 26.142 1.840 -1.470 1.00 0.00 H new ATOM 0 HB2 HIS B -1 24.980 -0.632 -0.123 1.00 0.00 H new ATOM 0 HB3 HIS B -1 25.036 -0.344 -1.851 1.00 0.00 H new ATOM 0 HD2 HIS B -1 27.729 -0.379 -2.953 1.00 0.00 H new ATOM 0 HE1 HIS B -1 29.337 -2.487 0.360 1.00 0.00 H new ATOM 0 HE2 HIS B -1 29.759 -1.731 -2.033 1.00 0.00 H new ATOM 295 N MET B 0 23.475 1.781 -1.765 1.00 0.00 N ATOM 296 CA MET B 0 22.105 2.268 -1.878 1.00 0.00 C ATOM 297 C MET B 0 21.116 1.214 -1.389 1.00 0.00 C ATOM 298 O MET B 0 21.517 0.149 -0.917 1.00 0.00 O ATOM 299 CB MET B 0 21.793 2.644 -3.327 1.00 0.00 C ATOM 300 CG MET B 0 22.751 3.672 -3.907 1.00 0.00 C ATOM 301 SD MET B 0 22.766 5.214 -2.972 1.00 0.00 S ATOM 302 CE MET B 0 24.001 6.145 -3.874 1.00 0.00 C ATOM 0 H MET B 0 23.836 1.341 -2.611 1.00 0.00 H new ATOM 0 HA MET B 0 22.006 3.155 -1.252 1.00 0.00 H new ATOM 0 HB2 MET B 0 21.822 1.744 -3.942 1.00 0.00 H new ATOM 0 HB3 MET B 0 20.777 3.035 -3.382 1.00 0.00 H new ATOM 0 HG2 MET B 0 23.758 3.254 -3.927 1.00 0.00 H new ATOM 0 HG3 MET B 0 22.472 3.881 -4.940 1.00 0.00 H new ATOM 0 HE1 MET B 0 24.124 7.126 -3.415 1.00 0.00 H new ATOM 0 HE2 MET B 0 24.951 5.610 -3.848 1.00 0.00 H new ATOM 0 HE3 MET B 0 23.681 6.266 -4.909 1.00 0.00 H new ATOM 312 N GLN B 1 19.823 1.520 -1.504 1.00 0.00 N ATOM 313 CA GLN B 1 18.768 0.601 -1.074 1.00 0.00 C ATOM 314 C GLN B 1 18.814 0.394 0.438 1.00 0.00 C ATOM 315 O GLN B 1 19.854 0.046 0.994 1.00 0.00 O ATOM 316 CB GLN B 1 18.907 -0.744 -1.791 1.00 0.00 C ATOM 317 CG GLN B 1 18.898 -0.632 -3.303 1.00 0.00 C ATOM 318 CD GLN B 1 19.037 -1.977 -3.987 1.00 0.00 C ATOM 319 OE1 GLN B 1 18.046 -2.646 -4.277 1.00 0.00 O ATOM 320 NE2 GLN B 1 20.276 -2.380 -4.253 1.00 0.00 N ATOM 0 H GLN B 1 19.481 2.399 -1.892 1.00 0.00 H new ATOM 0 HA GLN B 1 17.806 1.043 -1.335 1.00 0.00 H new ATOM 0 HB2 GLN B 1 19.836 -1.219 -1.476 1.00 0.00 H new ATOM 0 HB3 GLN B 1 18.093 -1.398 -1.479 1.00 0.00 H new ATOM 0 HG2 GLN B 1 17.969 -0.160 -3.623 1.00 0.00 H new ATOM 0 HG3 GLN B 1 19.713 0.019 -3.620 1.00 0.00 H new ATOM 0 HE21 GLN B 1 21.070 -1.793 -3.995 1.00 0.00 H new ATOM 0 HE22 GLN B 1 20.433 -3.276 -4.715 1.00 0.00 H new ATOM 329 N LYS B 2 17.679 0.604 1.105 1.00 0.00 N ATOM 330 CA LYS B 2 17.615 0.439 2.551 1.00 0.00 C ATOM 331 C LYS B 2 16.923 -0.858 2.935 1.00 0.00 C ATOM 332 O LYS B 2 15.938 -1.252 2.314 1.00 0.00 O ATOM 333 CB LYS B 2 16.909 1.623 3.196 1.00 0.00 C ATOM 334 CG LYS B 2 17.614 2.942 2.945 1.00 0.00 C ATOM 335 CD LYS B 2 17.109 4.025 3.876 1.00 0.00 C ATOM 336 CE LYS B 2 17.596 3.815 5.300 1.00 0.00 C ATOM 337 NZ LYS B 2 17.118 4.888 6.214 1.00 0.00 N ATOM 0 H LYS B 2 16.801 0.886 0.669 1.00 0.00 H new ATOM 0 HA LYS B 2 18.639 0.395 2.921 1.00 0.00 H new ATOM 0 HB2 LYS B 2 15.890 1.684 2.814 1.00 0.00 H new ATOM 0 HB3 LYS B 2 16.837 1.455 4.270 1.00 0.00 H new ATOM 0 HG2 LYS B 2 18.688 2.814 3.082 1.00 0.00 H new ATOM 0 HG3 LYS B 2 17.459 3.248 1.910 1.00 0.00 H new ATOM 0 HD2 LYS B 2 17.443 4.998 3.517 1.00 0.00 H new ATOM 0 HD3 LYS B 2 16.019 4.037 3.862 1.00 0.00 H new ATOM 0 HE2 LYS B 2 17.249 2.848 5.663 1.00 0.00 H new ATOM 0 HE3 LYS B 2 18.686 3.788 5.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 17.472 4.708 7.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 17.470 5.809 5.882 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 16.078 4.898 6.224 1.00 0.00 H new ATOM 351 N PRO B 3 17.436 -1.540 3.975 1.00 0.00 N ATOM 352 CA PRO B 3 16.864 -2.794 4.452 1.00 0.00 C ATOM 353 C PRO B 3 15.414 -2.611 4.825 1.00 0.00 C ATOM 354 O PRO B 3 14.622 -3.547 4.790 1.00 0.00 O ATOM 355 CB PRO B 3 17.715 -3.115 5.683 1.00 0.00 C ATOM 356 CG PRO B 3 19.001 -2.430 5.418 1.00 0.00 C ATOM 357 CD PRO B 3 18.595 -1.142 4.789 1.00 0.00 C ATOM 0 HA PRO B 3 16.878 -3.588 3.706 1.00 0.00 H new ATOM 0 HB2 PRO B 3 17.248 -2.748 6.597 1.00 0.00 H new ATOM 0 HB3 PRO B 3 17.853 -4.189 5.804 1.00 0.00 H new ATOM 0 HG2 PRO B 3 19.564 -2.266 6.337 1.00 0.00 H new ATOM 0 HG3 PRO B 3 19.637 -3.016 4.755 1.00 0.00 H new ATOM 0 HD2 PRO B 3 18.330 -0.392 5.534 1.00 0.00 H new ATOM 0 HD3 PRO B 3 19.393 -0.718 4.180 1.00 0.00 H new ATOM 365 N VAL B 4 15.091 -1.375 5.171 1.00 0.00 N ATOM 366 CA VAL B 4 13.735 -0.990 5.552 1.00 0.00 C ATOM 367 C VAL B 4 13.522 0.512 5.366 1.00 0.00 C ATOM 368 O VAL B 4 13.621 1.280 6.324 1.00 0.00 O ATOM 369 CB VAL B 4 13.408 -1.338 7.023 1.00 0.00 C ATOM 370 CG1 VAL B 4 11.975 -0.943 7.349 1.00 0.00 C ATOM 371 CG2 VAL B 4 13.633 -2.815 7.310 1.00 0.00 C ATOM 0 H VAL B 4 15.761 -0.606 5.197 1.00 0.00 H new ATOM 0 HA VAL B 4 13.072 -1.557 4.899 1.00 0.00 H new ATOM 0 HB VAL B 4 14.086 -0.772 7.661 1.00 0.00 H new ATOM 0 HG11 VAL B 4 11.756 -1.193 8.387 1.00 0.00 H new ATOM 0 HG12 VAL B 4 11.850 0.129 7.200 1.00 0.00 H new ATOM 0 HG13 VAL B 4 11.291 -1.482 6.694 1.00 0.00 H new ATOM 0 HG21 VAL B 4 13.393 -3.024 8.353 1.00 0.00 H new ATOM 0 HG22 VAL B 4 12.991 -3.413 6.663 1.00 0.00 H new ATOM 0 HG23 VAL B 4 14.676 -3.068 7.120 1.00 0.00 H new ATOM 381 N VAL B 5 13.249 0.935 4.135 1.00 0.00 N ATOM 382 CA VAL B 5 13.004 2.346 3.865 1.00 0.00 C ATOM 383 C VAL B 5 11.816 2.828 4.695 1.00 0.00 C ATOM 384 O VAL B 5 10.667 2.507 4.396 1.00 0.00 O ATOM 385 CB VAL B 5 12.737 2.608 2.364 1.00 0.00 C ATOM 386 CG1 VAL B 5 12.002 3.925 2.164 1.00 0.00 C ATOM 387 CG2 VAL B 5 14.039 2.599 1.578 1.00 0.00 C ATOM 0 H VAL B 5 13.192 0.328 3.318 1.00 0.00 H new ATOM 0 HA VAL B 5 13.901 2.900 4.142 1.00 0.00 H new ATOM 0 HB VAL B 5 12.102 1.805 1.989 1.00 0.00 H new ATOM 0 HG11 VAL B 5 11.826 4.086 1.100 1.00 0.00 H new ATOM 0 HG12 VAL B 5 11.047 3.892 2.689 1.00 0.00 H new ATOM 0 HG13 VAL B 5 12.605 4.742 2.560 1.00 0.00 H new ATOM 0 HG21 VAL B 5 13.829 2.785 0.525 1.00 0.00 H new ATOM 0 HG22 VAL B 5 14.700 3.377 1.960 1.00 0.00 H new ATOM 0 HG23 VAL B 5 14.522 1.628 1.686 1.00 0.00 H new ATOM 397 N THR B 6 12.104 3.593 5.740 1.00 0.00 N ATOM 398 CA THR B 6 11.068 4.098 6.632 1.00 0.00 C ATOM 399 C THR B 6 10.193 5.148 5.951 1.00 0.00 C ATOM 400 O THR B 6 10.572 5.723 4.931 1.00 0.00 O ATOM 401 CB THR B 6 11.681 4.703 7.906 1.00 0.00 C ATOM 402 OG1 THR B 6 12.858 3.977 8.277 1.00 0.00 O ATOM 403 CG2 THR B 6 10.682 4.664 9.051 1.00 0.00 C ATOM 0 H THR B 6 13.050 3.878 5.991 1.00 0.00 H new ATOM 0 HA THR B 6 10.445 3.245 6.899 1.00 0.00 H new ATOM 0 HB THR B 6 11.943 5.741 7.700 1.00 0.00 H new ATOM 0 HG1 THR B 6 13.243 4.370 9.088 1.00 0.00 H new ATOM 0 HG21 THR B 6 11.134 5.096 9.943 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.795 5.237 8.780 1.00 0.00 H new ATOM 0 HG23 THR B 6 10.399 3.631 9.252 1.00 0.00 H new ATOM 411 N LEU B 7 9.022 5.389 6.533 1.00 0.00 N ATOM 412 CA LEU B 7 8.079 6.367 5.999 1.00 0.00 C ATOM 413 C LEU B 7 7.058 6.753 7.068 1.00 0.00 C ATOM 414 O LEU B 7 6.243 5.932 7.486 1.00 0.00 O ATOM 415 CB LEU B 7 7.366 5.796 4.765 1.00 0.00 C ATOM 416 CG LEU B 7 6.609 6.811 3.893 1.00 0.00 C ATOM 417 CD1 LEU B 7 5.375 7.338 4.613 1.00 0.00 C ATOM 418 CD2 LEU B 7 7.518 7.960 3.483 1.00 0.00 C ATOM 0 H LEU B 7 8.702 4.918 7.379 1.00 0.00 H new ATOM 0 HA LEU B 7 8.630 7.260 5.703 1.00 0.00 H new ATOM 0 HB2 LEU B 7 8.106 5.293 4.143 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.660 5.035 5.098 1.00 0.00 H new ATOM 0 HG LEU B 7 6.282 6.294 2.991 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.859 8.054 3.974 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.706 6.509 4.843 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.676 7.829 5.538 1.00 0.00 H new ATOM 0 HD21 LEU B 7 6.959 8.664 2.867 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.885 8.469 4.374 1.00 0.00 H new ATOM 0 HD23 LEU B 7 8.362 7.571 2.914 1.00 0.00 H new ATOM 430 N ASP B 8 7.111 8.009 7.504 1.00 0.00 N ATOM 431 CA ASP B 8 6.191 8.503 8.524 1.00 0.00 C ATOM 432 C ASP B 8 5.186 9.481 7.923 1.00 0.00 C ATOM 433 O ASP B 8 4.170 9.801 8.540 1.00 0.00 O ATOM 434 CB ASP B 8 6.965 9.180 9.656 1.00 0.00 C ATOM 435 CG ASP B 8 7.823 10.329 9.162 1.00 0.00 C ATOM 436 OD1 ASP B 8 7.325 11.474 9.144 1.00 0.00 O ATOM 437 OD2 ASP B 8 8.992 10.085 8.798 1.00 0.00 O ATOM 0 H ASP B 8 7.780 8.702 7.168 1.00 0.00 H new ATOM 0 HA ASP B 8 5.645 7.650 8.927 1.00 0.00 H new ATOM 0 HB2 ASP B 8 6.262 9.550 10.403 1.00 0.00 H new ATOM 0 HB3 ASP B 8 7.598 8.444 10.151 1.00 0.00 H new ATOM 442 N ASP B 9 5.480 9.955 6.717 1.00 0.00 N ATOM 443 CA ASP B 9 4.605 10.898 6.029 1.00 0.00 C ATOM 444 C ASP B 9 3.421 10.176 5.391 1.00 0.00 C ATOM 445 O ASP B 9 3.075 9.064 5.790 1.00 0.00 O ATOM 446 CB ASP B 9 5.390 11.662 4.964 1.00 0.00 C ATOM 447 CG ASP B 9 6.531 12.468 5.553 1.00 0.00 C ATOM 448 OD1 ASP B 9 7.658 11.933 5.630 1.00 0.00 O ATOM 449 OD2 ASP B 9 6.298 13.632 5.938 1.00 0.00 O ATOM 0 H ASP B 9 6.319 9.701 6.195 1.00 0.00 H new ATOM 0 HA ASP B 9 4.219 11.605 6.763 1.00 0.00 H new ATOM 0 HB2 ASP B 9 5.786 10.957 4.233 1.00 0.00 H new ATOM 0 HB3 ASP B 9 4.715 12.330 4.429 1.00 0.00 H new ATOM 454 N ALA B 10 2.800 10.816 4.402 1.00 0.00 N ATOM 455 CA ALA B 10 1.655 10.228 3.715 1.00 0.00 C ATOM 456 C ALA B 10 1.739 10.445 2.206 1.00 0.00 C ATOM 457 O ALA B 10 1.967 9.502 1.447 1.00 0.00 O ATOM 458 CB ALA B 10 0.358 10.804 4.261 1.00 0.00 C ATOM 0 H ALA B 10 3.070 11.738 4.060 1.00 0.00 H new ATOM 0 HA ALA B 10 1.670 9.154 3.899 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -0.487 10.356 3.739 1.00 0.00 H new ATOM 0 HB2 ALA B 10 0.283 10.586 5.326 1.00 0.00 H new ATOM 0 HB3 ALA B 10 0.347 11.883 4.110 1.00 0.00 H new ATOM 464 N ASP B 11 1.556 11.689 1.778 1.00 0.00 N ATOM 465 CA ASP B 11 1.606 12.025 0.358 1.00 0.00 C ATOM 466 C ASP B 11 3.018 12.412 -0.067 1.00 0.00 C ATOM 467 O ASP B 11 3.299 12.568 -1.256 1.00 0.00 O ATOM 468 CB ASP B 11 0.636 13.170 0.052 1.00 0.00 C ATOM 469 CG ASP B 11 0.586 13.510 -1.425 1.00 0.00 C ATOM 470 OD1 ASP B 11 1.333 14.417 -1.851 1.00 0.00 O ATOM 471 OD2 ASP B 11 -0.199 12.871 -2.155 1.00 0.00 O ATOM 0 H ASP B 11 1.372 12.482 2.393 1.00 0.00 H new ATOM 0 HA ASP B 11 1.310 11.142 -0.208 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -0.363 12.897 0.393 1.00 0.00 H new ATOM 0 HB3 ASP B 11 0.934 14.054 0.615 1.00 0.00 H new ATOM 476 N ASP B 12 3.907 12.562 0.909 1.00 0.00 N ATOM 477 CA ASP B 12 5.290 12.933 0.636 1.00 0.00 C ATOM 478 C ASP B 12 6.025 11.812 -0.094 1.00 0.00 C ATOM 479 O ASP B 12 7.145 12.005 -0.572 1.00 0.00 O ATOM 480 CB ASP B 12 6.015 13.263 1.938 1.00 0.00 C ATOM 481 CG ASP B 12 5.400 14.447 2.660 1.00 0.00 C ATOM 482 OD1 ASP B 12 4.391 14.250 3.371 1.00 0.00 O ATOM 483 OD2 ASP B 12 5.926 15.569 2.515 1.00 0.00 O ATOM 0 H ASP B 12 3.694 12.432 1.898 1.00 0.00 H new ATOM 0 HA ASP B 12 5.281 13.814 -0.005 1.00 0.00 H new ATOM 0 HB2 ASP B 12 5.995 12.392 2.593 1.00 0.00 H new ATOM 0 HB3 ASP B 12 7.062 13.476 1.723 1.00 0.00 H new ATOM 488 N CYS B 13 5.394 10.646 -0.178 1.00 0.00 N ATOM 489 CA CYS B 13 5.996 9.501 -0.850 1.00 0.00 C ATOM 490 C CYS B 13 6.225 9.787 -2.332 1.00 0.00 C ATOM 491 O CYS B 13 7.224 10.400 -2.708 1.00 0.00 O ATOM 492 CB CYS B 13 5.118 8.254 -0.694 1.00 0.00 C ATOM 493 SG CYS B 13 5.756 7.022 0.484 1.00 0.00 S ATOM 0 H CYS B 13 4.467 10.469 0.210 1.00 0.00 H new ATOM 0 HA CYS B 13 6.961 9.317 -0.379 1.00 0.00 H new ATOM 0 HB2 CYS B 13 4.123 8.564 -0.373 1.00 0.00 H new ATOM 0 HB3 CYS B 13 5.005 7.781 -1.669 1.00 0.00 H new ATOM 498 N SER B 14 5.285 9.340 -3.167 1.00 0.00 N ATOM 499 CA SER B 14 5.377 9.516 -4.612 1.00 0.00 C ATOM 500 C SER B 14 6.796 9.260 -5.129 1.00 0.00 C ATOM 501 O SER B 14 7.319 10.053 -5.913 1.00 0.00 O ATOM 502 CB SER B 14 4.930 10.927 -5.003 1.00 0.00 C ATOM 503 OG SER B 14 5.746 11.909 -4.388 1.00 0.00 O ATOM 0 H SER B 14 4.445 8.849 -2.860 1.00 0.00 H new ATOM 0 HA SER B 14 4.716 8.782 -5.073 1.00 0.00 H new ATOM 0 HB2 SER B 14 4.975 11.039 -6.086 1.00 0.00 H new ATOM 0 HB3 SER B 14 3.891 11.077 -4.710 1.00 0.00 H new ATOM 0 HG SER B 14 6.565 11.490 -4.052 1.00 0.00 H new ATOM 509 N PRO B 15 7.450 8.152 -4.708 1.00 0.00 N ATOM 510 CA PRO B 15 8.800 7.837 -5.152 1.00 0.00 C ATOM 511 C PRO B 15 8.830 7.005 -6.428 1.00 0.00 C ATOM 512 O PRO B 15 9.718 7.169 -7.263 1.00 0.00 O ATOM 513 CB PRO B 15 9.355 7.042 -3.977 1.00 0.00 C ATOM 514 CG PRO B 15 8.174 6.313 -3.423 1.00 0.00 C ATOM 515 CD PRO B 15 6.949 7.135 -3.760 1.00 0.00 C ATOM 0 HA PRO B 15 9.371 8.731 -5.403 1.00 0.00 H new ATOM 0 HB2 PRO B 15 10.133 6.350 -4.299 1.00 0.00 H new ATOM 0 HB3 PRO B 15 9.802 7.698 -3.230 1.00 0.00 H new ATOM 0 HG2 PRO B 15 8.100 5.315 -3.855 1.00 0.00 H new ATOM 0 HG3 PRO B 15 8.269 6.187 -2.344 1.00 0.00 H new ATOM 0 HD2 PRO B 15 6.168 6.521 -4.209 1.00 0.00 H new ATOM 0 HD3 PRO B 15 6.520 7.596 -2.870 1.00 0.00 H new ATOM 523 N LEU B 16 7.855 6.115 -6.570 1.00 0.00 N ATOM 524 CA LEU B 16 7.765 5.246 -7.741 1.00 0.00 C ATOM 525 C LEU B 16 9.015 4.401 -7.885 1.00 0.00 C ATOM 526 O LEU B 16 9.104 3.290 -7.365 1.00 0.00 O ATOM 527 CB LEU B 16 7.560 6.056 -9.029 1.00 0.00 C ATOM 528 CG LEU B 16 6.332 6.949 -9.049 1.00 0.00 C ATOM 529 CD1 LEU B 16 6.603 8.222 -8.270 1.00 0.00 C ATOM 530 CD2 LEU B 16 5.921 7.268 -10.479 1.00 0.00 C ATOM 0 H LEU B 16 7.111 5.975 -5.886 1.00 0.00 H new ATOM 0 HA LEU B 16 6.902 4.598 -7.589 1.00 0.00 H new ATOM 0 HB2 LEU B 16 8.442 6.676 -9.192 1.00 0.00 H new ATOM 0 HB3 LEU B 16 7.498 5.363 -9.868 1.00 0.00 H new ATOM 0 HG LEU B 16 5.507 6.419 -8.574 1.00 0.00 H new ATOM 0 HD11 LEU B 16 5.717 8.856 -8.290 1.00 0.00 H new ATOM 0 HD12 LEU B 16 6.847 7.972 -7.238 1.00 0.00 H new ATOM 0 HD13 LEU B 16 7.440 8.754 -8.722 1.00 0.00 H new ATOM 0 HD21 LEU B 16 5.039 7.909 -10.470 1.00 0.00 H new ATOM 0 HD22 LEU B 16 6.738 7.782 -10.986 1.00 0.00 H new ATOM 0 HD23 LEU B 16 5.691 6.342 -11.007 1.00 0.00 H new ATOM 542 N LYS B 17 9.968 4.961 -8.600 1.00 0.00 N ATOM 543 CA LYS B 17 11.248 4.309 -8.863 1.00 0.00 C ATOM 544 C LYS B 17 11.746 3.539 -7.641 1.00 0.00 C ATOM 545 O LYS B 17 12.181 4.132 -6.654 1.00 0.00 O ATOM 546 CB LYS B 17 12.288 5.347 -9.284 1.00 0.00 C ATOM 547 CG LYS B 17 11.979 6.004 -10.620 1.00 0.00 C ATOM 548 CD LYS B 17 12.697 7.333 -10.763 1.00 0.00 C ATOM 549 CE LYS B 17 12.450 7.958 -12.127 1.00 0.00 C ATOM 550 NZ LYS B 17 12.931 7.086 -13.234 1.00 0.00 N ATOM 0 H LYS B 17 9.883 5.886 -9.020 1.00 0.00 H new ATOM 0 HA LYS B 17 11.099 3.595 -9.673 1.00 0.00 H new ATOM 0 HB2 LYS B 17 12.354 6.117 -8.515 1.00 0.00 H new ATOM 0 HB3 LYS B 17 13.266 4.869 -9.340 1.00 0.00 H new ATOM 0 HG2 LYS B 17 12.276 5.339 -11.431 1.00 0.00 H new ATOM 0 HG3 LYS B 17 10.904 6.158 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS B 17 12.360 8.015 -9.983 1.00 0.00 H new ATOM 0 HD3 LYS B 17 13.767 7.187 -10.617 1.00 0.00 H new ATOM 0 HE2 LYS B 17 11.384 8.147 -12.252 1.00 0.00 H new ATOM 0 HE3 LYS B 17 12.954 8.923 -12.180 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 12.965 7.634 -14.117 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 13.883 6.732 -13.009 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 12.281 6.282 -13.350 1.00 0.00 H new ATOM 564 N LEU B 18 11.674 2.215 -7.722 1.00 0.00 N ATOM 565 CA LEU B 18 12.112 1.351 -6.633 1.00 0.00 C ATOM 566 C LEU B 18 12.785 0.097 -7.186 1.00 0.00 C ATOM 567 O LEU B 18 12.776 -0.134 -8.397 1.00 0.00 O ATOM 568 CB LEU B 18 10.917 0.967 -5.754 1.00 0.00 C ATOM 569 CG LEU B 18 11.261 0.332 -4.410 1.00 0.00 C ATOM 570 CD1 LEU B 18 12.246 1.196 -3.636 1.00 0.00 C ATOM 571 CD2 LEU B 18 9.999 0.097 -3.595 1.00 0.00 C ATOM 0 H LEU B 18 11.314 1.715 -8.535 1.00 0.00 H new ATOM 0 HA LEU B 18 12.837 1.894 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU B 18 10.322 1.862 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU B 18 10.287 0.274 -6.312 1.00 0.00 H new ATOM 0 HG LEU B 18 11.735 -0.631 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU B 18 12.475 0.721 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU B 18 13.163 1.309 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU B 18 11.807 2.177 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU B 18 10.262 -0.356 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU B 18 9.497 1.048 -3.419 1.00 0.00 H new ATOM 0 HD23 LEU B 18 9.332 -0.570 -4.141 1.00 0.00 H new ATOM 583 N THR B 19 13.366 -0.708 -6.303 1.00 0.00 N ATOM 584 CA THR B 19 14.039 -1.931 -6.716 1.00 0.00 C ATOM 585 C THR B 19 14.058 -2.953 -5.586 1.00 0.00 C ATOM 586 O THR B 19 14.152 -2.596 -4.411 1.00 0.00 O ATOM 587 CB THR B 19 15.485 -1.653 -7.168 1.00 0.00 C ATOM 588 OG1 THR B 19 15.503 -0.590 -8.130 1.00 0.00 O ATOM 589 CG2 THR B 19 16.110 -2.899 -7.778 1.00 0.00 C ATOM 0 H THR B 19 13.384 -0.535 -5.298 1.00 0.00 H new ATOM 0 HA THR B 19 13.476 -2.334 -7.558 1.00 0.00 H new ATOM 0 HB THR B 19 16.065 -1.363 -6.292 1.00 0.00 H new ATOM 0 HG1 THR B 19 16.426 -0.419 -8.411 1.00 0.00 H new ATOM 0 HG21 THR B 19 17.131 -2.679 -8.090 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.121 -3.700 -7.038 1.00 0.00 H new ATOM 0 HG23 THR B 19 15.526 -3.213 -8.643 1.00 0.00 H new ATOM 597 N GLN B 20 13.964 -4.226 -5.952 1.00 0.00 N ATOM 598 CA GLN B 20 13.971 -5.314 -4.980 1.00 0.00 C ATOM 599 C GLN B 20 15.185 -5.217 -4.061 1.00 0.00 C ATOM 600 O GLN B 20 16.271 -4.833 -4.492 1.00 0.00 O ATOM 601 CB GLN B 20 13.964 -6.669 -5.691 1.00 0.00 C ATOM 602 CG GLN B 20 12.852 -6.816 -6.716 1.00 0.00 C ATOM 603 CD GLN B 20 13.301 -6.477 -8.125 1.00 0.00 C ATOM 604 OE1 GLN B 20 14.213 -5.674 -8.324 1.00 0.00 O ATOM 605 NE2 GLN B 20 12.659 -7.089 -9.114 1.00 0.00 N ATOM 0 H GLN B 20 13.881 -4.532 -6.922 1.00 0.00 H new ATOM 0 HA GLN B 20 13.069 -5.227 -4.374 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.924 -6.814 -6.186 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.867 -7.459 -4.947 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.478 -7.840 -6.695 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.021 -6.168 -6.439 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.909 -7.748 -8.905 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.916 -6.900 -10.083 1.00 0.00 H new ATOM 614 N GLY B 21 14.987 -5.567 -2.795 1.00 0.00 N ATOM 615 CA GLY B 21 16.072 -5.514 -1.834 1.00 0.00 C ATOM 616 C GLY B 21 15.803 -4.530 -0.711 1.00 0.00 C ATOM 617 O GLY B 21 16.524 -4.505 0.286 1.00 0.00 O ATOM 0 H GLY B 21 14.095 -5.886 -2.417 1.00 0.00 H new ATOM 0 HA2 GLY B 21 16.230 -6.507 -1.413 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.993 -5.235 -2.345 1.00 0.00 H new ATOM 621 N GLN B 22 14.763 -3.719 -0.878 1.00 0.00 N ATOM 622 CA GLN B 22 14.399 -2.730 0.123 1.00 0.00 C ATOM 623 C GLN B 22 13.076 -3.093 0.779 1.00 0.00 C ATOM 624 O GLN B 22 12.235 -3.765 0.179 1.00 0.00 O ATOM 625 CB GLN B 22 14.290 -1.346 -0.519 1.00 0.00 C ATOM 626 CG GLN B 22 15.562 -0.893 -1.214 1.00 0.00 C ATOM 627 CD GLN B 22 15.392 0.434 -1.929 1.00 0.00 C ATOM 628 OE1 GLN B 22 16.065 0.710 -2.921 1.00 0.00 O ATOM 629 NE2 GLN B 22 14.481 1.259 -1.430 1.00 0.00 N ATOM 0 H GLN B 22 14.158 -3.730 -1.699 1.00 0.00 H new ATOM 0 HA GLN B 22 15.177 -2.714 0.886 1.00 0.00 H new ATOM 0 HB2 GLN B 22 13.475 -1.354 -1.242 1.00 0.00 H new ATOM 0 HB3 GLN B 22 14.028 -0.619 0.249 1.00 0.00 H new ATOM 0 HG2 GLN B 22 16.363 -0.806 -0.479 1.00 0.00 H new ATOM 0 HG3 GLN B 22 15.870 -1.653 -1.933 1.00 0.00 H new ATOM 0 HE21 GLN B 22 13.946 0.989 -0.605 1.00 0.00 H new ATOM 0 HE22 GLN B 22 14.316 2.164 -1.871 1.00 0.00 H new ATOM 638 N GLU B 23 12.898 -2.650 2.016 1.00 0.00 N ATOM 639 CA GLU B 23 11.663 -2.925 2.750 1.00 0.00 C ATOM 640 C GLU B 23 11.065 -1.640 3.309 1.00 0.00 C ATOM 641 O GLU B 23 11.472 -0.541 2.933 1.00 0.00 O ATOM 642 CB GLU B 23 11.913 -3.916 3.887 1.00 0.00 C ATOM 643 CG GLU B 23 12.509 -5.234 3.425 1.00 0.00 C ATOM 644 CD GLU B 23 12.842 -6.163 4.576 1.00 0.00 C ATOM 645 OE1 GLU B 23 11.967 -6.963 4.967 1.00 0.00 O ATOM 646 OE2 GLU B 23 13.981 -6.094 5.085 1.00 0.00 O ATOM 0 H GLU B 23 13.586 -2.102 2.533 1.00 0.00 H new ATOM 0 HA GLU B 23 10.954 -3.366 2.049 1.00 0.00 H new ATOM 0 HB2 GLU B 23 12.583 -3.459 4.615 1.00 0.00 H new ATOM 0 HB3 GLU B 23 10.972 -4.113 4.400 1.00 0.00 H new ATOM 0 HG2 GLU B 23 11.807 -5.730 2.755 1.00 0.00 H new ATOM 0 HG3 GLU B 23 13.414 -5.037 2.850 1.00 0.00 H new ATOM 653 N LEU B 24 10.088 -1.785 4.200 1.00 0.00 N ATOM 654 CA LEU B 24 9.444 -0.628 4.812 1.00 0.00 C ATOM 655 C LEU B 24 8.611 -1.031 6.025 1.00 0.00 C ATOM 656 O LEU B 24 8.084 -2.140 6.092 1.00 0.00 O ATOM 657 CB LEU B 24 8.563 0.092 3.789 1.00 0.00 C ATOM 658 CG LEU B 24 7.938 1.399 4.283 1.00 0.00 C ATOM 659 CD1 LEU B 24 7.853 2.411 3.151 1.00 0.00 C ATOM 660 CD2 LEU B 24 6.564 1.144 4.882 1.00 0.00 C ATOM 0 H LEU B 24 9.727 -2.686 4.512 1.00 0.00 H new ATOM 0 HA LEU B 24 10.229 0.049 5.150 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.160 0.304 2.902 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.764 -0.582 3.481 1.00 0.00 H new ATOM 0 HG LEU B 24 8.577 1.812 5.063 1.00 0.00 H new ATOM 0 HD11 LEU B 24 7.406 3.334 3.521 1.00 0.00 H new ATOM 0 HD12 LEU B 24 8.854 2.619 2.773 1.00 0.00 H new ATOM 0 HD13 LEU B 24 7.238 2.007 2.347 1.00 0.00 H new ATOM 0 HD21 LEU B 24 6.137 2.086 5.227 1.00 0.00 H new ATOM 0 HD22 LEU B 24 5.913 0.706 4.126 1.00 0.00 H new ATOM 0 HD23 LEU B 24 6.656 0.457 5.723 1.00 0.00 H new ATOM 672 N VAL B 25 8.501 -0.113 6.981 1.00 0.00 N ATOM 673 CA VAL B 25 7.729 -0.351 8.194 1.00 0.00 C ATOM 674 C VAL B 25 6.919 0.886 8.573 1.00 0.00 C ATOM 675 O VAL B 25 7.472 1.888 9.026 1.00 0.00 O ATOM 676 CB VAL B 25 8.640 -0.742 9.378 1.00 0.00 C ATOM 677 CG1 VAL B 25 7.850 -0.780 10.677 1.00 0.00 C ATOM 678 CG2 VAL B 25 9.305 -2.083 9.116 1.00 0.00 C ATOM 0 H VAL B 25 8.940 0.807 6.937 1.00 0.00 H new ATOM 0 HA VAL B 25 7.052 -1.179 7.984 1.00 0.00 H new ATOM 0 HB VAL B 25 9.418 0.015 9.476 1.00 0.00 H new ATOM 0 HG11 VAL B 25 8.512 -1.058 11.497 1.00 0.00 H new ATOM 0 HG12 VAL B 25 7.423 0.204 10.872 1.00 0.00 H new ATOM 0 HG13 VAL B 25 7.048 -1.513 10.594 1.00 0.00 H new ATOM 0 HG21 VAL B 25 9.943 -2.344 9.960 1.00 0.00 H new ATOM 0 HG22 VAL B 25 8.541 -2.850 8.989 1.00 0.00 H new ATOM 0 HG23 VAL B 25 9.909 -2.019 8.211 1.00 0.00 H new ATOM 688 N LEU B 26 5.606 0.810 8.379 1.00 0.00 N ATOM 689 CA LEU B 26 4.722 1.926 8.697 1.00 0.00 C ATOM 690 C LEU B 26 4.462 2.010 10.197 1.00 0.00 C ATOM 691 O LEU B 26 4.624 1.028 10.923 1.00 0.00 O ATOM 692 CB LEU B 26 3.395 1.788 7.948 1.00 0.00 C ATOM 693 CG LEU B 26 3.493 1.928 6.429 1.00 0.00 C ATOM 694 CD1 LEU B 26 2.171 1.559 5.772 1.00 0.00 C ATOM 695 CD2 LEU B 26 3.904 3.341 6.045 1.00 0.00 C ATOM 0 H LEU B 26 5.131 -0.011 8.004 1.00 0.00 H new ATOM 0 HA LEU B 26 5.217 2.844 8.380 1.00 0.00 H new ATOM 0 HB2 LEU B 26 2.963 0.815 8.181 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.703 2.542 8.323 1.00 0.00 H new ATOM 0 HG LEU B 26 4.259 1.240 6.071 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.260 1.665 4.691 1.00 0.00 H new ATOM 0 HD12 LEU B 26 1.919 0.527 6.016 1.00 0.00 H new ATOM 0 HD13 LEU B 26 1.386 2.221 6.138 1.00 0.00 H new ATOM 0 HD21 LEU B 26 3.968 3.419 4.960 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.163 4.049 6.417 1.00 0.00 H new ATOM 0 HD23 LEU B 26 4.876 3.569 6.483 1.00 0.00 H new ATOM 707 N THR B 27 4.060 3.191 10.653 1.00 0.00 N ATOM 708 CA THR B 27 3.775 3.411 12.066 1.00 0.00 C ATOM 709 C THR B 27 2.771 4.544 12.248 1.00 0.00 C ATOM 710 O THR B 27 3.118 5.720 12.139 1.00 0.00 O ATOM 711 CB THR B 27 5.056 3.740 12.853 1.00 0.00 C ATOM 712 OG1 THR B 27 6.024 2.701 12.671 1.00 0.00 O ATOM 713 CG2 THR B 27 4.756 3.900 14.337 1.00 0.00 C ATOM 0 H THR B 27 3.924 4.012 10.063 1.00 0.00 H new ATOM 0 HA THR B 27 3.351 2.485 12.455 1.00 0.00 H new ATOM 0 HB THR B 27 5.454 4.681 12.474 1.00 0.00 H new ATOM 0 HG1 THR B 27 6.836 2.919 13.174 1.00 0.00 H new ATOM 0 HG21 THR B 27 5.677 4.132 14.871 1.00 0.00 H new ATOM 0 HG22 THR B 27 4.041 4.710 14.478 1.00 0.00 H new ATOM 0 HG23 THR B 27 4.335 2.972 14.725 1.00 0.00 H new ATOM 721 N LEU B 28 1.520 4.182 12.525 1.00 0.00 N ATOM 722 CA LEU B 28 0.466 5.171 12.722 1.00 0.00 C ATOM 723 C LEU B 28 -0.340 4.865 13.985 1.00 0.00 C ATOM 724 O LEU B 28 -0.661 3.707 14.257 1.00 0.00 O ATOM 725 CB LEU B 28 -0.464 5.201 11.506 1.00 0.00 C ATOM 726 CG LEU B 28 0.216 5.536 10.176 1.00 0.00 C ATOM 727 CD1 LEU B 28 -0.770 5.399 9.026 1.00 0.00 C ATOM 728 CD2 LEU B 28 0.802 6.940 10.213 1.00 0.00 C ATOM 0 H LEU B 28 1.213 3.214 12.618 1.00 0.00 H new ATOM 0 HA LEU B 28 0.935 6.148 12.840 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.948 4.229 11.414 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.251 5.933 11.688 1.00 0.00 H new ATOM 0 HG LEU B 28 1.031 4.829 10.018 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -0.271 5.641 8.088 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -1.142 4.375 8.986 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -1.605 6.083 9.179 1.00 0.00 H new ATOM 0 HD21 LEU B 28 1.281 7.160 9.259 1.00 0.00 H new ATOM 0 HD22 LEU B 28 0.006 7.662 10.394 1.00 0.00 H new ATOM 0 HD23 LEU B 28 1.540 7.005 11.013 1.00 0.00 H new ATOM 740 N PRO B 29 -0.677 5.900 14.776 1.00 0.00 N ATOM 741 CA PRO B 29 -1.450 5.732 16.013 1.00 0.00 C ATOM 742 C PRO B 29 -2.860 5.217 15.748 1.00 0.00 C ATOM 743 O PRO B 29 -3.444 5.488 14.698 1.00 0.00 O ATOM 744 CB PRO B 29 -1.504 7.145 16.610 1.00 0.00 C ATOM 745 CG PRO B 29 -0.435 7.911 15.910 1.00 0.00 C ATOM 746 CD PRO B 29 -0.336 7.312 14.539 1.00 0.00 C ATOM 0 HA PRO B 29 -0.992 4.997 16.675 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -2.481 7.601 16.453 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -1.332 7.124 17.686 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -0.684 8.971 15.857 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.514 7.833 16.441 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -1.027 7.784 13.840 1.00 0.00 H new ATOM 0 HD3 PRO B 29 0.664 7.422 14.121 1.00 0.00 H new ATOM 754 N SER B 30 -3.403 4.473 16.708 1.00 0.00 N ATOM 755 CA SER B 30 -4.748 3.921 16.581 1.00 0.00 C ATOM 756 C SER B 30 -5.265 3.445 17.934 1.00 0.00 C ATOM 757 O SER B 30 -4.562 2.754 18.672 1.00 0.00 O ATOM 758 CB SER B 30 -4.756 2.762 15.581 1.00 0.00 C ATOM 759 OG SER B 30 -3.923 1.704 16.018 1.00 0.00 O ATOM 0 H SER B 30 -2.932 4.239 17.582 1.00 0.00 H new ATOM 0 HA SER B 30 -5.406 4.709 16.215 1.00 0.00 H new ATOM 0 HB2 SER B 30 -5.775 2.397 15.452 1.00 0.00 H new ATOM 0 HB3 SER B 30 -4.418 3.116 14.607 1.00 0.00 H new ATOM 0 HG SER B 30 -3.606 1.195 15.243 1.00 0.00 H new ATOM 765 N ASN B 31 -6.500 3.821 18.256 1.00 0.00 N ATOM 766 CA ASN B 31 -7.112 3.437 19.523 1.00 0.00 C ATOM 767 C ASN B 31 -8.204 2.387 19.309 1.00 0.00 C ATOM 768 O ASN B 31 -9.302 2.714 18.854 1.00 0.00 O ATOM 769 CB ASN B 31 -7.703 4.664 20.220 1.00 0.00 C ATOM 770 CG ASN B 31 -6.654 5.721 20.516 1.00 0.00 C ATOM 771 OD1 ASN B 31 -5.487 5.405 20.746 1.00 0.00 O ATOM 772 ND2 ASN B 31 -7.069 6.983 20.513 1.00 0.00 N ATOM 0 H ASN B 31 -7.096 4.391 17.656 1.00 0.00 H new ATOM 0 HA ASN B 31 -6.336 3.005 20.154 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -8.483 5.095 19.592 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -8.178 4.356 21.152 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -6.410 7.737 20.707 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -8.047 7.198 20.317 1.00 0.00 H new ATOM 779 N PRO B 32 -7.919 1.111 19.629 1.00 0.00 N ATOM 780 CA PRO B 32 -8.890 0.022 19.468 1.00 0.00 C ATOM 781 C PRO B 32 -10.175 0.271 20.253 1.00 0.00 C ATOM 782 O PRO B 32 -11.223 -0.296 19.940 1.00 0.00 O ATOM 783 CB PRO B 32 -8.158 -1.205 20.024 1.00 0.00 C ATOM 784 CG PRO B 32 -6.712 -0.857 19.948 1.00 0.00 C ATOM 785 CD PRO B 32 -6.634 0.625 20.166 1.00 0.00 C ATOM 0 HA PRO B 32 -9.203 -0.088 18.430 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -8.460 -1.414 21.050 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -8.381 -2.097 19.438 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -6.141 -1.394 20.705 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -6.294 -1.132 18.979 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -6.519 0.872 21.222 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -5.786 1.065 19.642 1.00 0.00 H new ATOM 793 N THR B 33 -10.084 1.118 21.272 1.00 0.00 N ATOM 794 CA THR B 33 -11.238 1.443 22.104 1.00 0.00 C ATOM 795 C THR B 33 -12.329 2.133 21.291 1.00 0.00 C ATOM 796 O THR B 33 -13.514 1.839 21.452 1.00 0.00 O ATOM 797 CB THR B 33 -10.842 2.351 23.283 1.00 0.00 C ATOM 798 OG1 THR B 33 -10.288 3.578 22.792 1.00 0.00 O ATOM 799 CG2 THR B 33 -9.830 1.658 24.184 1.00 0.00 C ATOM 0 H THR B 33 -9.223 1.593 21.543 1.00 0.00 H new ATOM 0 HA THR B 33 -11.621 0.500 22.493 1.00 0.00 H new ATOM 0 HB THR B 33 -11.738 2.564 23.865 1.00 0.00 H new ATOM 0 HG1 THR B 33 -10.040 4.151 23.548 1.00 0.00 H new ATOM 0 HG21 THR B 33 -9.565 2.319 25.010 1.00 0.00 H new ATOM 0 HG22 THR B 33 -10.264 0.739 24.579 1.00 0.00 H new ATOM 0 HG23 THR B 33 -8.935 1.419 23.610 1.00 0.00 H new ATOM 807 N THR B 34 -11.923 3.052 20.420 1.00 0.00 N ATOM 808 CA THR B 34 -12.869 3.783 19.585 1.00 0.00 C ATOM 809 C THR B 34 -13.457 2.886 18.501 1.00 0.00 C ATOM 810 O THR B 34 -14.662 2.631 18.481 1.00 0.00 O ATOM 811 CB THR B 34 -12.207 5.007 18.923 1.00 0.00 C ATOM 812 OG1 THR B 34 -11.092 4.593 18.125 1.00 0.00 O ATOM 813 CG2 THR B 34 -11.740 6.005 19.974 1.00 0.00 C ATOM 0 H THR B 34 -10.946 3.308 20.274 1.00 0.00 H new ATOM 0 HA THR B 34 -13.670 4.124 20.241 1.00 0.00 H new ATOM 0 HB THR B 34 -12.948 5.491 18.287 1.00 0.00 H new ATOM 0 HG1 THR B 34 -10.500 4.024 18.660 1.00 0.00 H new ATOM 0 HG21 THR B 34 -11.276 6.860 19.483 1.00 0.00 H new ATOM 0 HG22 THR B 34 -12.595 6.343 20.560 1.00 0.00 H new ATOM 0 HG23 THR B 34 -11.015 5.527 20.632 1.00 0.00 H new ATOM 821 N GLY B 35 -12.602 2.412 17.602 1.00 0.00 N ATOM 822 CA GLY B 35 -13.058 1.551 16.526 1.00 0.00 C ATOM 823 C GLY B 35 -12.455 1.934 15.190 1.00 0.00 C ATOM 824 O GLY B 35 -12.537 1.177 14.222 1.00 0.00 O ATOM 0 H GLY B 35 -11.601 2.608 17.599 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -12.800 0.517 16.756 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -14.145 1.601 16.459 1.00 0.00 H new ATOM 828 N PHE B 36 -11.846 3.115 15.139 1.00 0.00 N ATOM 829 CA PHE B 36 -11.225 3.604 13.919 1.00 0.00 C ATOM 830 C PHE B 36 -9.899 2.900 13.660 1.00 0.00 C ATOM 831 O PHE B 36 -8.847 3.332 14.130 1.00 0.00 O ATOM 832 CB PHE B 36 -10.997 5.108 14.013 1.00 0.00 C ATOM 833 CG PHE B 36 -12.261 5.917 13.974 1.00 0.00 C ATOM 834 CD1 PHE B 36 -13.035 6.076 15.112 1.00 0.00 C ATOM 835 CD2 PHE B 36 -12.673 6.521 12.796 1.00 0.00 C ATOM 836 CE1 PHE B 36 -14.198 6.823 15.076 1.00 0.00 C ATOM 837 CE2 PHE B 36 -13.835 7.269 12.754 1.00 0.00 C ATOM 838 CZ PHE B 36 -14.598 7.419 13.895 1.00 0.00 C ATOM 0 H PHE B 36 -11.771 3.751 15.933 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.898 3.390 13.089 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -10.464 5.328 14.938 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.352 5.420 13.192 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -12.727 5.612 16.037 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -12.080 6.406 11.901 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -14.793 6.941 15.970 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -14.145 7.735 11.830 1.00 0.00 H new ATOM 0 HZ PHE B 36 -15.507 8.002 13.865 1.00 0.00 H new ATOM 848 N ARG B 37 -9.965 1.806 12.917 1.00 0.00 N ATOM 849 CA ARG B 37 -8.776 1.032 12.576 1.00 0.00 C ATOM 850 C ARG B 37 -8.182 1.528 11.258 1.00 0.00 C ATOM 851 O ARG B 37 -8.257 2.714 10.946 1.00 0.00 O ATOM 852 CB ARG B 37 -9.127 -0.452 12.465 1.00 0.00 C ATOM 853 CG ARG B 37 -8.034 -1.380 12.977 1.00 0.00 C ATOM 854 CD ARG B 37 -7.891 -1.297 14.488 1.00 0.00 C ATOM 855 NE ARG B 37 -6.829 -2.168 14.984 1.00 0.00 N ATOM 856 CZ ARG B 37 -6.780 -2.636 16.227 1.00 0.00 C ATOM 857 NH1 ARG B 37 -7.727 -2.319 17.098 1.00 0.00 N ATOM 858 NH2 ARG B 37 -5.779 -3.424 16.602 1.00 0.00 N ATOM 0 H ARG B 37 -10.833 1.431 12.536 1.00 0.00 H new ATOM 0 HA ARG B 37 -8.037 1.162 13.366 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -10.044 -0.642 13.023 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -9.334 -0.690 11.422 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -8.263 -2.406 12.689 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -7.086 -1.120 12.507 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -7.680 -0.267 14.776 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -8.835 -1.573 14.958 1.00 0.00 H new ATOM 0 HE ARG B 37 -6.083 -2.432 14.340 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -8.498 -1.713 16.816 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -7.685 -2.681 18.051 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -5.047 -3.671 15.936 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -5.742 -3.783 17.556 1.00 0.00 H new ATOM 872 N TRP B 38 -7.597 0.613 10.489 1.00 0.00 N ATOM 873 CA TRP B 38 -7.002 0.966 9.206 1.00 0.00 C ATOM 874 C TRP B 38 -7.347 -0.070 8.142 1.00 0.00 C ATOM 875 O TRP B 38 -7.319 -1.274 8.400 1.00 0.00 O ATOM 876 CB TRP B 38 -5.482 1.097 9.337 1.00 0.00 C ATOM 877 CG TRP B 38 -5.055 2.242 10.204 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.803 2.205 11.545 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.836 3.597 9.791 1.00 0.00 C ATOM 880 NE1 TRP B 38 -4.438 3.453 11.991 1.00 0.00 N ATOM 881 CE2 TRP B 38 -4.451 4.324 10.934 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.926 4.266 8.566 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -4.156 5.686 10.887 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.634 5.616 8.521 1.00 0.00 C ATOM 885 CH2 TRP B 38 -4.253 6.313 9.673 1.00 0.00 C ATOM 0 H TRP B 38 -7.523 -0.375 10.732 1.00 0.00 H new ATOM 0 HA TRP B 38 -7.414 1.927 8.898 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -5.079 0.171 9.747 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -5.049 1.221 8.345 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -4.879 1.324 12.165 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -4.197 3.692 12.953 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -5.219 3.737 7.671 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.862 6.226 11.775 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.701 6.142 7.580 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -4.031 7.368 9.603 1.00 0.00 H new ATOM 896 N GLU B 39 -7.673 0.407 6.943 1.00 0.00 N ATOM 897 CA GLU B 39 -8.026 -0.476 5.836 1.00 0.00 C ATOM 898 C GLU B 39 -7.041 -0.324 4.681 1.00 0.00 C ATOM 899 O GLU B 39 -6.639 0.788 4.337 1.00 0.00 O ATOM 900 CB GLU B 39 -9.447 -0.174 5.353 1.00 0.00 C ATOM 901 CG GLU B 39 -9.877 -1.007 4.155 1.00 0.00 C ATOM 902 CD GLU B 39 -9.937 -2.490 4.466 1.00 0.00 C ATOM 903 OE1 GLU B 39 -8.881 -3.153 4.406 1.00 0.00 O ATOM 904 OE2 GLU B 39 -11.041 -2.991 4.767 1.00 0.00 O ATOM 0 H GLU B 39 -7.700 1.401 6.714 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.980 -1.504 6.194 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -10.144 -0.347 6.173 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.516 0.882 5.093 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.857 -0.671 3.817 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -9.181 -0.840 3.333 1.00 0.00 H new ATOM 911 N LEU B 40 -6.655 -1.449 4.088 1.00 0.00 N ATOM 912 CA LEU B 40 -5.720 -1.442 2.969 1.00 0.00 C ATOM 913 C LEU B 40 -6.461 -1.333 1.641 1.00 0.00 C ATOM 914 O LEU B 40 -7.121 -2.278 1.208 1.00 0.00 O ATOM 915 CB LEU B 40 -4.868 -2.712 2.981 1.00 0.00 C ATOM 916 CG LEU B 40 -3.948 -2.870 4.192 1.00 0.00 C ATOM 917 CD1 LEU B 40 -3.275 -4.234 4.175 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.905 -1.762 4.220 1.00 0.00 C ATOM 0 H LEU B 40 -6.975 -2.377 4.364 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.071 -0.573 3.078 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.532 -3.575 2.934 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.258 -2.729 2.078 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.553 -2.795 5.095 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.624 -4.329 5.044 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -4.035 -5.015 4.203 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.683 -4.336 3.265 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.260 -1.892 5.089 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.304 -1.805 3.312 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.403 -0.794 4.279 1.00 0.00 H new ATOM 930 N ARG B 41 -6.350 -0.173 1.000 1.00 0.00 N ATOM 931 CA ARG B 41 -7.007 0.053 -0.282 1.00 0.00 C ATOM 932 C ARG B 41 -6.169 -0.517 -1.419 1.00 0.00 C ATOM 933 O ARG B 41 -6.664 -0.720 -2.527 1.00 0.00 O ATOM 934 CB ARG B 41 -7.246 1.547 -0.504 1.00 0.00 C ATOM 935 CG ARG B 41 -8.272 2.153 0.441 1.00 0.00 C ATOM 936 CD ARG B 41 -9.692 1.744 0.071 1.00 0.00 C ATOM 937 NE ARG B 41 -9.936 0.324 0.309 1.00 0.00 N ATOM 938 CZ ARG B 41 -10.970 -0.343 -0.200 1.00 0.00 C ATOM 939 NH1 ARG B 41 -11.849 0.282 -0.973 1.00 0.00 N ATOM 940 NH2 ARG B 41 -11.123 -1.633 0.063 1.00 0.00 N ATOM 0 H ARG B 41 -5.813 0.622 1.346 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.970 -0.458 -0.268 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.301 2.078 -0.388 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.575 1.704 -1.531 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -8.057 1.837 1.462 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -8.189 3.240 0.419 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -10.401 2.335 0.650 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -9.872 1.971 -0.980 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.277 -0.185 0.898 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.733 1.274 -1.178 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.641 -0.230 -1.362 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -10.448 -2.116 0.656 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -11.916 -2.143 -0.328 1.00 0.00 H new ATOM 954 N ASN B 42 -4.896 -0.776 -1.132 1.00 0.00 N ATOM 955 CA ASN B 42 -3.981 -1.324 -2.126 1.00 0.00 C ATOM 956 C ASN B 42 -2.629 -1.646 -1.494 1.00 0.00 C ATOM 957 O ASN B 42 -1.717 -0.823 -1.521 1.00 0.00 O ATOM 958 CB ASN B 42 -3.797 -0.337 -3.283 1.00 0.00 C ATOM 959 CG ASN B 42 -3.226 -0.998 -4.521 1.00 0.00 C ATOM 960 OD1 ASN B 42 -3.391 -2.200 -4.731 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.553 -0.213 -5.356 1.00 0.00 N ATOM 0 H ASN B 42 -4.475 -0.614 -0.217 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.412 -2.247 -2.514 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.758 0.116 -3.527 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.135 0.470 -2.967 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -2.150 -0.602 -6.209 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -2.439 0.778 -5.144 1.00 0.00 H new ATOM 968 N PRO B 43 -2.484 -2.850 -0.909 1.00 0.00 N ATOM 969 CA PRO B 43 -1.234 -3.270 -0.263 1.00 0.00 C ATOM 970 C PRO B 43 -0.125 -3.565 -1.267 1.00 0.00 C ATOM 971 O PRO B 43 0.982 -3.947 -0.885 1.00 0.00 O ATOM 972 CB PRO B 43 -1.634 -4.549 0.475 1.00 0.00 C ATOM 973 CG PRO B 43 -2.774 -5.092 -0.314 1.00 0.00 C ATOM 974 CD PRO B 43 -3.524 -3.896 -0.830 1.00 0.00 C ATOM 0 HA PRO B 43 -0.830 -2.490 0.383 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.807 -5.258 0.518 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.927 -4.339 1.504 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -2.419 -5.715 -1.135 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -3.416 -5.718 0.306 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.972 -4.092 -1.804 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.333 -3.609 -0.159 1.00 0.00 H new ATOM 982 N ALA B 44 -0.426 -3.388 -2.551 1.00 0.00 N ATOM 983 CA ALA B 44 0.545 -3.642 -3.609 1.00 0.00 C ATOM 984 C ALA B 44 1.067 -5.072 -3.537 1.00 0.00 C ATOM 985 O ALA B 44 2.147 -5.377 -4.045 1.00 0.00 O ATOM 986 CB ALA B 44 1.701 -2.658 -3.517 1.00 0.00 C ATOM 0 H ALA B 44 -1.336 -3.069 -2.883 1.00 0.00 H new ATOM 0 HA ALA B 44 0.043 -3.507 -4.567 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.416 -2.862 -4.314 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.322 -1.641 -3.620 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.194 -2.765 -2.551 1.00 0.00 H new ATOM 992 N ALA B 45 0.290 -5.947 -2.904 1.00 0.00 N ATOM 993 CA ALA B 45 0.671 -7.349 -2.761 1.00 0.00 C ATOM 994 C ALA B 45 0.854 -8.016 -4.119 1.00 0.00 C ATOM 995 O ALA B 45 1.320 -9.152 -4.206 1.00 0.00 O ATOM 996 CB ALA B 45 -0.373 -8.095 -1.941 1.00 0.00 C ATOM 0 H ALA B 45 -0.608 -5.710 -2.482 1.00 0.00 H new ATOM 0 HA ALA B 45 1.627 -7.387 -2.240 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.079 -9.140 -1.841 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.450 -7.643 -0.952 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.339 -8.037 -2.442 1.00 0.00 H new ATOM 1002 N SER B 46 0.487 -7.301 -5.179 1.00 0.00 N ATOM 1003 CA SER B 46 0.610 -7.823 -6.534 1.00 0.00 C ATOM 1004 C SER B 46 2.073 -8.052 -6.904 1.00 0.00 C ATOM 1005 O SER B 46 2.396 -8.990 -7.634 1.00 0.00 O ATOM 1006 CB SER B 46 -0.035 -6.861 -7.534 1.00 0.00 C ATOM 1007 OG SER B 46 0.072 -7.354 -8.858 1.00 0.00 O ATOM 0 H SER B 46 0.102 -6.358 -5.124 1.00 0.00 H new ATOM 0 HA SER B 46 0.092 -8.781 -6.573 1.00 0.00 H new ATOM 0 HB2 SER B 46 -1.085 -6.718 -7.280 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.445 -5.885 -7.466 1.00 0.00 H new ATOM 0 HG SER B 46 -0.349 -6.722 -9.477 1.00 0.00 H new ATOM 1013 N VAL B 47 2.956 -7.192 -6.399 1.00 0.00 N ATOM 1014 CA VAL B 47 4.381 -7.312 -6.690 1.00 0.00 C ATOM 1015 C VAL B 47 5.214 -7.380 -5.414 1.00 0.00 C ATOM 1016 O VAL B 47 6.209 -8.102 -5.350 1.00 0.00 O ATOM 1017 CB VAL B 47 4.877 -6.136 -7.555 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.155 -6.118 -8.893 1.00 0.00 C ATOM 1019 CG2 VAL B 47 4.689 -4.816 -6.825 1.00 0.00 C ATOM 0 H VAL B 47 2.711 -6.411 -5.791 1.00 0.00 H new ATOM 0 HA VAL B 47 4.507 -8.243 -7.242 1.00 0.00 H new ATOM 0 HB VAL B 47 5.942 -6.272 -7.742 1.00 0.00 H new ATOM 0 HG11 VAL B 47 4.517 -5.282 -9.491 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.346 -7.052 -9.422 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.083 -6.008 -8.727 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.045 -3.999 -7.453 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.632 -4.670 -6.604 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.255 -4.831 -5.894 1.00 0.00 H new ATOM 1029 N LEU B 48 4.805 -6.628 -4.396 1.00 0.00 N ATOM 1030 CA LEU B 48 5.522 -6.607 -3.126 1.00 0.00 C ATOM 1031 C LEU B 48 5.036 -7.725 -2.211 1.00 0.00 C ATOM 1032 O LEU B 48 3.832 -7.929 -2.049 1.00 0.00 O ATOM 1033 CB LEU B 48 5.348 -5.252 -2.435 1.00 0.00 C ATOM 1034 CG LEU B 48 5.448 -4.035 -3.357 1.00 0.00 C ATOM 1035 CD1 LEU B 48 5.136 -2.760 -2.588 1.00 0.00 C ATOM 1036 CD2 LEU B 48 6.827 -3.955 -3.992 1.00 0.00 C ATOM 0 H LEU B 48 3.982 -6.026 -4.426 1.00 0.00 H new ATOM 0 HA LEU B 48 6.581 -6.764 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.376 -5.236 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU B 48 6.103 -5.160 -1.655 1.00 0.00 H new ATOM 0 HG LEU B 48 4.713 -4.145 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.211 -1.903 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU B 48 4.125 -2.817 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU B 48 5.848 -2.645 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU B 48 6.877 -3.083 -4.644 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.583 -3.869 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.011 -4.856 -4.577 1.00 0.00 H new ATOM 1048 N LYS B 49 5.978 -8.445 -1.611 1.00 0.00 N ATOM 1049 CA LYS B 49 5.647 -9.545 -0.711 1.00 0.00 C ATOM 1050 C LYS B 49 5.464 -9.042 0.718 1.00 0.00 C ATOM 1051 O LYS B 49 6.243 -8.219 1.201 1.00 0.00 O ATOM 1052 CB LYS B 49 6.741 -10.612 -0.755 1.00 0.00 C ATOM 1053 CG LYS B 49 6.473 -11.802 0.152 1.00 0.00 C ATOM 1054 CD LYS B 49 7.636 -12.780 0.139 1.00 0.00 C ATOM 1055 CE LYS B 49 8.858 -12.207 0.838 1.00 0.00 C ATOM 1056 NZ LYS B 49 8.577 -11.863 2.260 1.00 0.00 N ATOM 0 H LYS B 49 6.978 -8.287 -1.732 1.00 0.00 H new ATOM 0 HA LYS B 49 4.707 -9.986 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.850 -10.966 -1.780 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.691 -10.158 -0.472 1.00 0.00 H new ATOM 0 HG2 LYS B 49 6.299 -11.454 1.170 1.00 0.00 H new ATOM 0 HG3 LYS B 49 5.564 -12.310 -0.170 1.00 0.00 H new ATOM 0 HD2 LYS B 49 7.338 -13.707 0.628 1.00 0.00 H new ATOM 0 HD3 LYS B 49 7.890 -13.031 -0.891 1.00 0.00 H new ATOM 0 HE2 LYS B 49 9.673 -12.929 0.794 1.00 0.00 H new ATOM 0 HE3 LYS B 49 9.194 -11.315 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 9.473 -11.786 2.782 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 8.072 -10.955 2.304 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 7.990 -12.607 2.688 1.00 0.00 H new ATOM 1070 N ARG B 50 4.430 -9.543 1.388 1.00 0.00 N ATOM 1071 CA ARG B 50 4.144 -9.145 2.762 1.00 0.00 C ATOM 1072 C ARG B 50 5.030 -9.903 3.746 1.00 0.00 C ATOM 1073 O ARG B 50 5.303 -11.090 3.565 1.00 0.00 O ATOM 1074 CB ARG B 50 2.670 -9.394 3.088 1.00 0.00 C ATOM 1075 CG ARG B 50 2.278 -8.969 4.495 1.00 0.00 C ATOM 1076 CD ARG B 50 0.817 -9.270 4.783 1.00 0.00 C ATOM 1077 NE ARG B 50 -0.077 -8.580 3.857 1.00 0.00 N ATOM 1078 CZ ARG B 50 -1.403 -8.682 3.895 1.00 0.00 C ATOM 1079 NH1 ARG B 50 -1.986 -9.445 4.812 1.00 0.00 N ATOM 1080 NH2 ARG B 50 -2.146 -8.021 3.019 1.00 0.00 N ATOM 0 H ARG B 50 3.777 -10.225 1.002 1.00 0.00 H new ATOM 0 HA ARG B 50 4.357 -8.080 2.858 1.00 0.00 H new ATOM 0 HB2 ARG B 50 2.052 -8.856 2.369 1.00 0.00 H new ATOM 0 HB3 ARG B 50 2.453 -10.455 2.964 1.00 0.00 H new ATOM 0 HG2 ARG B 50 2.906 -9.486 5.220 1.00 0.00 H new ATOM 0 HG3 ARG B 50 2.461 -7.902 4.618 1.00 0.00 H new ATOM 0 HD2 ARG B 50 0.648 -10.345 4.716 1.00 0.00 H new ATOM 0 HD3 ARG B 50 0.580 -8.973 5.805 1.00 0.00 H new ATOM 0 HE ARG B 50 0.339 -7.986 3.140 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -1.417 -9.954 5.489 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -3.003 -9.522 4.840 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.701 -7.433 2.314 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -3.162 -8.100 3.050 1.00 0.00 H new ATOM 1094 N LEU B 51 5.477 -9.207 4.787 1.00 0.00 N ATOM 1095 CA LEU B 51 6.331 -9.813 5.804 1.00 0.00 C ATOM 1096 C LEU B 51 5.497 -10.382 6.945 1.00 0.00 C ATOM 1097 O LEU B 51 4.989 -9.641 7.786 1.00 0.00 O ATOM 1098 CB LEU B 51 7.324 -8.780 6.345 1.00 0.00 C ATOM 1099 CG LEU B 51 8.284 -8.197 5.306 1.00 0.00 C ATOM 1100 CD1 LEU B 51 9.038 -7.010 5.886 1.00 0.00 C ATOM 1101 CD2 LEU B 51 9.252 -9.260 4.815 1.00 0.00 C ATOM 0 H LEU B 51 5.262 -8.223 4.949 1.00 0.00 H new ATOM 0 HA LEU B 51 6.884 -10.631 5.341 1.00 0.00 H new ATOM 0 HB2 LEU B 51 6.763 -7.962 6.798 1.00 0.00 H new ATOM 0 HB3 LEU B 51 7.910 -9.243 7.139 1.00 0.00 H new ATOM 0 HG LEU B 51 7.700 -7.850 4.454 1.00 0.00 H new ATOM 0 HD11 LEU B 51 9.716 -6.607 5.134 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.328 -6.239 6.185 1.00 0.00 H new ATOM 0 HD13 LEU B 51 9.611 -7.332 6.756 1.00 0.00 H new ATOM 0 HD21 LEU B 51 9.926 -8.825 4.077 1.00 0.00 H new ATOM 0 HD22 LEU B 51 9.832 -9.641 5.656 1.00 0.00 H new ATOM 0 HD23 LEU B 51 8.694 -10.078 4.359 1.00 0.00 H new ATOM 1113 N GLY B 52 5.357 -11.705 6.968 1.00 0.00 N ATOM 1114 CA GLY B 52 4.582 -12.352 8.009 1.00 0.00 C ATOM 1115 C GLY B 52 3.087 -12.154 7.830 1.00 0.00 C ATOM 1116 O GLY B 52 2.664 -11.275 7.077 1.00 0.00 O ATOM 0 H GLY B 52 5.767 -12.340 6.283 1.00 0.00 H new ATOM 0 HA2 GLY B 52 4.806 -13.419 8.014 1.00 0.00 H new ATOM 0 HA3 GLY B 52 4.884 -11.958 8.980 1.00 0.00 H new ATOM 1120 N PRO B 53 2.256 -12.965 8.511 1.00 0.00 N ATOM 1121 CA PRO B 53 0.795 -12.863 8.415 1.00 0.00 C ATOM 1122 C PRO B 53 0.287 -11.471 8.775 1.00 0.00 C ATOM 1123 O PRO B 53 -0.274 -10.767 7.933 1.00 0.00 O ATOM 1124 CB PRO B 53 0.297 -13.894 9.433 1.00 0.00 C ATOM 1125 CG PRO B 53 1.421 -14.859 9.575 1.00 0.00 C ATOM 1126 CD PRO B 53 2.672 -14.043 9.425 1.00 0.00 C ATOM 0 HA PRO B 53 0.441 -13.042 7.400 1.00 0.00 H new ATOM 0 HB2 PRO B 53 0.056 -13.424 10.387 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -0.609 -14.390 9.084 1.00 0.00 H new ATOM 0 HG2 PRO B 53 1.391 -15.356 10.544 1.00 0.00 H new ATOM 0 HG3 PRO B 53 1.367 -15.638 8.815 1.00 0.00 H new ATOM 0 HD2 PRO B 53 3.015 -13.651 10.382 1.00 0.00 H new ATOM 0 HD3 PRO B 53 3.490 -14.631 9.010 1.00 0.00 H new ATOM 1134 N GLU B 54 0.487 -11.079 10.029 1.00 0.00 N ATOM 1135 CA GLU B 54 0.052 -9.771 10.501 1.00 0.00 C ATOM 1136 C GLU B 54 0.723 -9.419 11.826 1.00 0.00 C ATOM 1137 O GLU B 54 1.527 -10.192 12.347 1.00 0.00 O ATOM 1138 CB GLU B 54 -1.470 -9.742 10.664 1.00 0.00 C ATOM 1139 CG GLU B 54 -1.998 -10.774 11.648 1.00 0.00 C ATOM 1140 CD GLU B 54 -3.509 -10.748 11.763 1.00 0.00 C ATOM 1141 OE1 GLU B 54 -4.030 -9.938 12.558 1.00 0.00 O ATOM 1142 OE2 GLU B 54 -4.172 -11.537 11.059 1.00 0.00 O ATOM 0 H GLU B 54 0.948 -11.650 10.737 1.00 0.00 H new ATOM 0 HA GLU B 54 0.345 -9.030 9.757 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -1.772 -8.749 10.995 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -1.934 -9.909 9.692 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -1.678 -11.767 11.334 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -1.559 -10.593 12.629 1.00 0.00 H new ATOM 1149 N VAL B 55 0.390 -8.249 12.362 1.00 0.00 N ATOM 1150 CA VAL B 55 0.965 -7.798 13.625 1.00 0.00 C ATOM 1151 C VAL B 55 -0.126 -7.380 14.605 1.00 0.00 C ATOM 1152 O VAL B 55 -1.020 -6.607 14.265 1.00 0.00 O ATOM 1153 CB VAL B 55 1.928 -6.612 13.410 1.00 0.00 C ATOM 1154 CG1 VAL B 55 2.599 -6.225 14.721 1.00 0.00 C ATOM 1155 CG2 VAL B 55 2.964 -6.951 12.351 1.00 0.00 C ATOM 0 H VAL B 55 -0.273 -7.597 11.943 1.00 0.00 H new ATOM 0 HA VAL B 55 1.521 -8.639 14.040 1.00 0.00 H new ATOM 0 HB VAL B 55 1.351 -5.757 13.058 1.00 0.00 H new ATOM 0 HG11 VAL B 55 3.275 -5.387 14.550 1.00 0.00 H new ATOM 0 HG12 VAL B 55 1.839 -5.936 15.447 1.00 0.00 H new ATOM 0 HG13 VAL B 55 3.164 -7.074 15.105 1.00 0.00 H new ATOM 0 HG21 VAL B 55 3.634 -6.103 12.213 1.00 0.00 H new ATOM 0 HG22 VAL B 55 3.539 -7.820 12.670 1.00 0.00 H new ATOM 0 HG23 VAL B 55 2.462 -7.174 11.409 1.00 0.00 H new ATOM 1165 N TYR B 56 -0.040 -7.901 15.828 1.00 0.00 N ATOM 1166 CA TYR B 56 -1.012 -7.590 16.874 1.00 0.00 C ATOM 1167 C TYR B 56 -2.421 -8.012 16.460 1.00 0.00 C ATOM 1168 O TYR B 56 -3.066 -7.350 15.649 1.00 0.00 O ATOM 1169 CB TYR B 56 -0.988 -6.093 17.199 1.00 0.00 C ATOM 1170 CG TYR B 56 -1.899 -5.703 18.340 1.00 0.00 C ATOM 1171 CD1 TYR B 56 -1.486 -5.838 19.660 1.00 0.00 C ATOM 1172 CD2 TYR B 56 -3.172 -5.200 18.099 1.00 0.00 C ATOM 1173 CE1 TYR B 56 -2.316 -5.481 20.708 1.00 0.00 C ATOM 1174 CE2 TYR B 56 -4.006 -4.842 19.139 1.00 0.00 C ATOM 1175 CZ TYR B 56 -3.574 -4.985 20.441 1.00 0.00 C ATOM 1176 OH TYR B 56 -4.402 -4.630 21.481 1.00 0.00 O ATOM 0 H TYR B 56 0.697 -8.543 16.119 1.00 0.00 H new ATOM 0 HA TYR B 56 -0.734 -8.152 17.766 1.00 0.00 H new ATOM 0 HB2 TYR B 56 0.033 -5.800 17.445 1.00 0.00 H new ATOM 0 HB3 TYR B 56 -1.275 -5.533 16.309 1.00 0.00 H new ATOM 0 HD1 TYR B 56 -0.501 -6.228 19.871 1.00 0.00 H new ATOM 0 HD2 TYR B 56 -3.514 -5.087 17.081 1.00 0.00 H new ATOM 0 HE1 TYR B 56 -1.980 -5.590 21.729 1.00 0.00 H new ATOM 0 HE2 TYR B 56 -4.992 -4.452 18.934 1.00 0.00 H new ATOM 0 HH TYR B 56 -5.252 -4.298 21.124 1.00 0.00 H new ATOM 1186 N SER B 57 -2.888 -9.121 17.026 1.00 0.00 N ATOM 1187 CA SER B 57 -4.219 -9.634 16.720 1.00 0.00 C ATOM 1188 C SER B 57 -5.094 -9.646 17.969 1.00 0.00 C ATOM 1189 O SER B 57 -6.073 -8.904 18.060 1.00 0.00 O ATOM 1190 CB SER B 57 -4.122 -11.047 16.139 1.00 0.00 C ATOM 1191 OG SER B 57 -3.337 -11.060 14.958 1.00 0.00 O ATOM 0 H SER B 57 -2.365 -9.681 17.699 1.00 0.00 H new ATOM 0 HA SER B 57 -4.676 -8.975 15.982 1.00 0.00 H new ATOM 0 HB2 SER B 57 -3.684 -11.718 16.878 1.00 0.00 H new ATOM 0 HB3 SER B 57 -5.121 -11.423 15.919 1.00 0.00 H new ATOM 0 HG SER B 57 -3.770 -10.511 14.271 1.00 0.00 H new ATOM 1197 N ASN B 58 -4.733 -10.492 18.928 1.00 0.00 N ATOM 1198 CA ASN B 58 -5.482 -10.601 20.175 1.00 0.00 C ATOM 1199 C ASN B 58 -4.732 -9.920 21.317 1.00 0.00 C ATOM 1200 O ASN B 58 -3.822 -9.123 21.083 1.00 0.00 O ATOM 1201 CB ASN B 58 -5.728 -12.073 20.517 1.00 0.00 C ATOM 1202 CG ASN B 58 -6.528 -12.789 19.447 1.00 0.00 C ATOM 1203 OD1 ASN B 58 -5.967 -13.349 18.505 1.00 0.00 O ATOM 1204 ND2 ASN B 58 -7.850 -12.772 19.584 1.00 0.00 N ATOM 0 H ASN B 58 -3.926 -11.113 18.866 1.00 0.00 H new ATOM 0 HA ASN B 58 -6.441 -10.100 20.043 1.00 0.00 H new ATOM 0 HB2 ASN B 58 -4.771 -12.577 20.650 1.00 0.00 H new ATOM 0 HB3 ASN B 58 -6.257 -12.139 21.468 1.00 0.00 H new ATOM 0 HD21 ASN B 58 -8.440 -13.235 18.893 1.00 0.00 H new ATOM 0 HD22 ASN B 58 -8.274 -12.296 20.380 1.00 0.00 H new ATOM 1211 N SER B 59 -5.121 -10.232 22.550 1.00 0.00 N ATOM 1212 CA SER B 59 -4.485 -9.649 23.726 1.00 0.00 C ATOM 1213 C SER B 59 -2.973 -9.851 23.681 1.00 0.00 C ATOM 1214 O SER B 59 -2.207 -8.906 23.871 1.00 0.00 O ATOM 1215 CB SER B 59 -5.057 -10.268 25.002 1.00 0.00 C ATOM 1216 OG SER B 59 -6.454 -10.046 25.096 1.00 0.00 O ATOM 0 H SER B 59 -5.875 -10.886 22.760 1.00 0.00 H new ATOM 0 HA SER B 59 -4.691 -8.579 23.728 1.00 0.00 H new ATOM 0 HB2 SER B 59 -4.854 -11.339 25.013 1.00 0.00 H new ATOM 0 HB3 SER B 59 -4.559 -9.841 25.872 1.00 0.00 H new ATOM 0 HG SER B 59 -6.795 -10.453 25.920 1.00 0.00 H new ATOM 1222 N GLU B 60 -2.555 -11.090 23.429 1.00 0.00 N ATOM 1223 CA GLU B 60 -1.137 -11.427 23.354 1.00 0.00 C ATOM 1224 C GLU B 60 -0.418 -11.093 24.658 1.00 0.00 C ATOM 1225 O GLU B 60 -0.077 -9.937 24.913 1.00 0.00 O ATOM 1226 CB GLU B 60 -0.475 -10.689 22.193 1.00 0.00 C ATOM 1227 CG GLU B 60 0.958 -11.122 21.936 1.00 0.00 C ATOM 1228 CD GLU B 60 1.058 -12.558 21.458 1.00 0.00 C ATOM 1229 OE1 GLU B 60 1.188 -13.459 22.312 1.00 0.00 O ATOM 1230 OE2 GLU B 60 1.006 -12.780 20.230 1.00 0.00 O ATOM 0 H GLU B 60 -3.182 -11.879 23.273 1.00 0.00 H new ATOM 0 HA GLU B 60 -1.060 -12.501 23.187 1.00 0.00 H new ATOM 0 HB2 GLU B 60 -1.062 -10.850 21.289 1.00 0.00 H new ATOM 0 HB3 GLU B 60 -0.491 -9.618 22.397 1.00 0.00 H new ATOM 0 HG2 GLU B 60 1.404 -10.463 21.191 1.00 0.00 H new ATOM 0 HG3 GLU B 60 1.538 -11.007 22.852 1.00 0.00 H new ATOM 1237 N GLU B 61 -0.195 -12.112 25.481 1.00 0.00 N ATOM 1238 CA GLU B 61 0.486 -11.928 26.758 1.00 0.00 C ATOM 1239 C GLU B 61 1.929 -11.478 26.542 1.00 0.00 C ATOM 1240 O GLU B 61 2.735 -12.205 25.962 1.00 0.00 O ATOM 1241 CB GLU B 61 0.462 -13.227 27.566 1.00 0.00 C ATOM 1242 CG GLU B 61 -0.940 -13.706 27.904 1.00 0.00 C ATOM 1243 CD GLU B 61 -0.939 -14.993 28.706 1.00 0.00 C ATOM 1244 OE1 GLU B 61 -0.919 -14.915 29.952 1.00 0.00 O ATOM 1245 OE2 GLU B 61 -0.960 -16.079 28.089 1.00 0.00 O ATOM 0 H GLU B 61 -0.476 -13.073 25.287 1.00 0.00 H new ATOM 0 HA GLU B 61 -0.041 -11.153 27.315 1.00 0.00 H new ATOM 0 HB2 GLU B 61 0.977 -14.005 27.003 1.00 0.00 H new ATOM 0 HB3 GLU B 61 1.020 -13.080 28.491 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -1.459 -12.931 28.468 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -1.500 -13.858 26.981 1.00 0.00 H new ATOM 1252 N ASP B 62 2.242 -10.273 27.011 1.00 0.00 N ATOM 1253 CA ASP B 62 3.584 -9.716 26.870 1.00 0.00 C ATOM 1254 C ASP B 62 3.982 -9.624 25.400 1.00 0.00 C ATOM 1255 O ASP B 62 4.488 -10.586 24.822 1.00 0.00 O ATOM 1256 CB ASP B 62 4.601 -10.565 27.635 1.00 0.00 C ATOM 1257 CG ASP B 62 4.293 -10.640 29.119 1.00 0.00 C ATOM 1258 OD1 ASP B 62 3.556 -11.563 29.526 1.00 0.00 O ATOM 1259 OD2 ASP B 62 4.789 -9.777 29.873 1.00 0.00 O ATOM 0 H ASP B 62 1.582 -9.662 27.493 1.00 0.00 H new ATOM 0 HA ASP B 62 3.577 -8.711 27.291 1.00 0.00 H new ATOM 0 HB2 ASP B 62 4.616 -11.572 27.219 1.00 0.00 H new ATOM 0 HB3 ASP B 62 5.598 -10.147 27.494 1.00 0.00 H new ATOM 1264 N SER B 63 3.742 -8.463 24.798 1.00 0.00 N ATOM 1265 CA SER B 63 4.072 -8.245 23.394 1.00 0.00 C ATOM 1266 C SER B 63 5.395 -7.502 23.252 1.00 0.00 C ATOM 1267 O SER B 63 6.199 -7.811 22.370 1.00 0.00 O ATOM 1268 CB SER B 63 2.956 -7.458 22.704 1.00 0.00 C ATOM 1269 OG SER B 63 1.723 -8.153 22.774 1.00 0.00 O ATOM 0 H SER B 63 3.320 -7.658 25.261 1.00 0.00 H new ATOM 0 HA SER B 63 4.172 -9.219 22.916 1.00 0.00 H new ATOM 0 HB2 SER B 63 2.853 -6.480 23.174 1.00 0.00 H new ATOM 0 HB3 SER B 63 3.220 -7.285 21.661 1.00 0.00 H new ATOM 0 HG SER B 63 1.026 -7.628 22.327 1.00 0.00 H new ATOM 1275 N GLY B 64 5.616 -6.522 24.123 1.00 0.00 N ATOM 1276 CA GLY B 64 6.842 -5.748 24.073 1.00 0.00 C ATOM 1277 C GLY B 64 6.996 -4.997 22.764 1.00 0.00 C ATOM 1278 O GLY B 64 7.830 -5.353 21.931 1.00 0.00 O ATOM 0 H GLY B 64 4.968 -6.251 24.862 1.00 0.00 H new ATOM 0 HA2 GLY B 64 6.855 -5.038 24.900 1.00 0.00 H new ATOM 0 HA3 GLY B 64 7.695 -6.413 24.210 1.00 0.00 H new ATOM 1282 N LEU B 65 6.189 -3.956 22.584 1.00 0.00 N ATOM 1283 CA LEU B 65 6.227 -3.154 21.379 1.00 0.00 C ATOM 1284 C LEU B 65 6.648 -1.730 21.705 1.00 0.00 C ATOM 1285 O LEU B 65 7.492 -1.500 22.572 1.00 0.00 O ATOM 1286 CB LEU B 65 4.851 -3.169 20.707 1.00 0.00 C ATOM 1287 CG LEU B 65 4.256 -4.562 20.476 1.00 0.00 C ATOM 1288 CD1 LEU B 65 2.848 -4.454 19.911 1.00 0.00 C ATOM 1289 CD2 LEU B 65 5.142 -5.376 19.545 1.00 0.00 C ATOM 0 H LEU B 65 5.497 -3.651 23.268 1.00 0.00 H new ATOM 0 HA LEU B 65 6.960 -3.576 20.691 1.00 0.00 H new ATOM 0 HB2 LEU B 65 4.158 -2.592 21.320 1.00 0.00 H new ATOM 0 HB3 LEU B 65 4.927 -2.660 19.746 1.00 0.00 H new ATOM 0 HG LEU B 65 4.204 -5.075 21.436 1.00 0.00 H new ATOM 0 HD11 LEU B 65 2.442 -5.453 19.753 1.00 0.00 H new ATOM 0 HD12 LEU B 65 2.215 -3.911 20.613 1.00 0.00 H new ATOM 0 HD13 LEU B 65 2.877 -3.920 18.961 1.00 0.00 H new ATOM 0 HD21 LEU B 65 4.702 -6.362 19.394 1.00 0.00 H new ATOM 0 HD22 LEU B 65 5.228 -4.866 18.586 1.00 0.00 H new ATOM 0 HD23 LEU B 65 6.132 -5.485 19.988 1.00 0.00 H new ATOM 1301 N VAL B 66 6.053 -0.784 21.007 1.00 0.00 N ATOM 1302 CA VAL B 66 6.355 0.629 21.204 1.00 0.00 C ATOM 1303 C VAL B 66 5.404 1.258 22.216 1.00 0.00 C ATOM 1304 O VAL B 66 5.756 2.219 22.901 1.00 0.00 O ATOM 1305 CB VAL B 66 6.266 1.411 19.879 1.00 0.00 C ATOM 1306 CG1 VAL B 66 6.721 2.850 20.073 1.00 0.00 C ATOM 1307 CG2 VAL B 66 7.088 0.724 18.798 1.00 0.00 C ATOM 0 H VAL B 66 5.350 -0.966 20.290 1.00 0.00 H new ATOM 0 HA VAL B 66 7.375 0.685 21.584 1.00 0.00 H new ATOM 0 HB VAL B 66 5.225 1.426 19.557 1.00 0.00 H new ATOM 0 HG11 VAL B 66 6.650 3.385 19.126 1.00 0.00 H new ATOM 0 HG12 VAL B 66 6.085 3.336 20.812 1.00 0.00 H new ATOM 0 HG13 VAL B 66 7.754 2.861 20.420 1.00 0.00 H new ATOM 0 HG21 VAL B 66 7.013 1.290 17.869 1.00 0.00 H new ATOM 0 HG22 VAL B 66 8.131 0.675 19.110 1.00 0.00 H new ATOM 0 HG23 VAL B 66 6.709 -0.285 18.639 1.00 0.00 H new ATOM 1317 N GLY B 67 4.199 0.706 22.308 1.00 0.00 N ATOM 1318 CA GLY B 67 3.212 1.223 23.237 1.00 0.00 C ATOM 1319 C GLY B 67 2.838 0.214 24.307 1.00 0.00 C ATOM 1320 O GLY B 67 3.654 -0.623 24.691 1.00 0.00 O ATOM 0 H GLY B 67 3.888 -0.092 21.754 1.00 0.00 H new ATOM 0 HA2 GLY B 67 3.601 2.124 23.712 1.00 0.00 H new ATOM 0 HA3 GLY B 67 2.317 1.513 22.687 1.00 0.00 H new ATOM 1324 N SER B 68 1.600 0.296 24.784 1.00 0.00 N ATOM 1325 CA SER B 68 1.119 -0.616 25.815 1.00 0.00 C ATOM 1326 C SER B 68 -0.395 -0.789 25.726 1.00 0.00 C ATOM 1327 O SER B 68 -0.980 -1.602 26.442 1.00 0.00 O ATOM 1328 CB SER B 68 1.503 -0.101 27.202 1.00 0.00 C ATOM 1329 OG SER B 68 0.982 1.198 27.427 1.00 0.00 O ATOM 0 H SER B 68 0.913 0.983 24.474 1.00 0.00 H new ATOM 0 HA SER B 68 1.588 -1.586 25.653 1.00 0.00 H new ATOM 0 HB2 SER B 68 1.127 -0.784 27.964 1.00 0.00 H new ATOM 0 HB3 SER B 68 2.589 -0.082 27.299 1.00 0.00 H new ATOM 0 HG SER B 68 1.240 1.504 28.322 1.00 0.00 H new ATOM 1335 N GLY B 69 -1.022 -0.017 24.843 1.00 0.00 N ATOM 1336 CA GLY B 69 -2.463 -0.098 24.677 1.00 0.00 C ATOM 1337 C GLY B 69 -2.858 -0.693 23.339 1.00 0.00 C ATOM 1338 O GLY B 69 -3.715 -1.575 23.274 1.00 0.00 O ATOM 0 H GLY B 69 -0.559 0.663 24.240 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -2.885 -0.703 25.479 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -2.893 0.899 24.769 1.00 0.00 H new ATOM 1342 N GLY B 70 -2.233 -0.211 22.269 1.00 0.00 N ATOM 1343 CA GLY B 70 -2.536 -0.712 20.942 1.00 0.00 C ATOM 1344 C GLY B 70 -2.059 0.221 19.845 1.00 0.00 C ATOM 1345 O GLY B 70 -2.156 1.442 19.973 1.00 0.00 O ATOM 0 H GLY B 70 -1.521 0.519 22.298 1.00 0.00 H new ATOM 0 HA2 GLY B 70 -2.071 -1.689 20.811 1.00 0.00 H new ATOM 0 HA3 GLY B 70 -3.612 -0.857 20.849 1.00 0.00 H new ATOM 1349 N GLU B 71 -1.541 -0.356 18.765 1.00 0.00 N ATOM 1350 CA GLU B 71 -1.046 0.429 17.640 1.00 0.00 C ATOM 1351 C GLU B 71 -1.165 -0.353 16.337 1.00 0.00 C ATOM 1352 O GLU B 71 -1.588 -1.508 16.332 1.00 0.00 O ATOM 1353 CB GLU B 71 0.412 0.834 17.876 1.00 0.00 C ATOM 1354 CG GLU B 71 1.351 -0.347 18.056 1.00 0.00 C ATOM 1355 CD GLU B 71 2.785 0.080 18.302 1.00 0.00 C ATOM 1356 OE1 GLU B 71 3.542 0.215 17.318 1.00 0.00 O ATOM 1357 OE2 GLU B 71 3.149 0.283 19.480 1.00 0.00 O ATOM 0 H GLU B 71 -1.453 -1.365 18.645 1.00 0.00 H new ATOM 0 HA GLU B 71 -1.657 1.328 17.559 1.00 0.00 H new ATOM 0 HB2 GLU B 71 0.754 1.434 17.033 1.00 0.00 H new ATOM 0 HB3 GLU B 71 0.465 1.468 18.761 1.00 0.00 H new ATOM 0 HG2 GLU B 71 1.008 -0.955 18.893 1.00 0.00 H new ATOM 0 HG3 GLU B 71 1.311 -0.977 17.167 1.00 0.00 H new ATOM 1364 N SER B 72 -0.788 0.285 15.231 1.00 0.00 N ATOM 1365 CA SER B 72 -0.852 -0.350 13.922 1.00 0.00 C ATOM 1366 C SER B 72 0.525 -0.393 13.268 1.00 0.00 C ATOM 1367 O SER B 72 1.058 0.635 12.853 1.00 0.00 O ATOM 1368 CB SER B 72 -1.835 0.397 13.018 1.00 0.00 C ATOM 1369 OG SER B 72 -3.140 0.395 13.570 1.00 0.00 O ATOM 0 H SER B 72 -0.435 1.242 15.218 1.00 0.00 H new ATOM 0 HA SER B 72 -1.200 -1.374 14.060 1.00 0.00 H new ATOM 0 HB2 SER B 72 -1.497 1.424 12.879 1.00 0.00 H new ATOM 0 HB3 SER B 72 -1.853 -0.069 12.033 1.00 0.00 H new ATOM 0 HG SER B 72 -3.723 -0.178 13.029 1.00 0.00 H new ATOM 1375 N THR B 73 1.096 -1.591 13.181 1.00 0.00 N ATOM 1376 CA THR B 73 2.412 -1.771 12.577 1.00 0.00 C ATOM 1377 C THR B 73 2.318 -2.590 11.293 1.00 0.00 C ATOM 1378 O THR B 73 1.713 -3.663 11.273 1.00 0.00 O ATOM 1379 CB THR B 73 3.384 -2.467 13.548 1.00 0.00 C ATOM 1380 OG1 THR B 73 3.464 -1.730 14.774 1.00 0.00 O ATOM 1381 CG2 THR B 73 4.771 -2.588 12.934 1.00 0.00 C ATOM 0 H THR B 73 0.668 -2.452 13.521 1.00 0.00 H new ATOM 0 HA THR B 73 2.794 -0.777 12.344 1.00 0.00 H new ATOM 0 HB THR B 73 3.004 -3.469 13.749 1.00 0.00 H new ATOM 0 HG1 THR B 73 4.083 -2.180 15.386 1.00 0.00 H new ATOM 0 HG21 THR B 73 5.439 -3.083 13.639 1.00 0.00 H new ATOM 0 HG22 THR B 73 4.713 -3.174 12.017 1.00 0.00 H new ATOM 0 HG23 THR B 73 5.156 -1.594 12.706 1.00 0.00 H new ATOM 1389 N TRP B 74 2.918 -2.076 10.224 1.00 0.00 N ATOM 1390 CA TRP B 74 2.903 -2.758 8.935 1.00 0.00 C ATOM 1391 C TRP B 74 4.320 -2.959 8.410 1.00 0.00 C ATOM 1392 O TRP B 74 5.201 -2.130 8.640 1.00 0.00 O ATOM 1393 CB TRP B 74 2.080 -1.962 7.923 1.00 0.00 C ATOM 1394 CG TRP B 74 0.668 -1.720 8.363 1.00 0.00 C ATOM 1395 CD1 TRP B 74 0.187 -0.612 9.002 1.00 0.00 C ATOM 1396 CD2 TRP B 74 -0.444 -2.604 8.198 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -1.157 -0.755 9.244 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -1.569 -1.969 8.759 1.00 0.00 C ATOM 1399 CE3 TRP B 74 -0.603 -3.871 7.628 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -2.830 -2.558 8.768 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -1.856 -4.455 7.637 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -2.955 -3.799 8.204 1.00 0.00 C ATOM 0 H TRP B 74 3.421 -1.189 10.225 1.00 0.00 H new ATOM 0 HA TRP B 74 2.445 -3.737 9.075 1.00 0.00 H new ATOM 0 HB2 TRP B 74 2.566 -1.003 7.744 1.00 0.00 H new ATOM 0 HB3 TRP B 74 2.070 -2.496 6.973 1.00 0.00 H new ATOM 0 HD1 TRP B 74 0.777 0.250 9.276 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -1.752 -0.069 9.709 1.00 0.00 H new ATOM 0 HE3 TRP B 74 0.239 -4.385 7.188 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -3.680 -2.054 9.204 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 -1.989 -5.433 7.199 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -3.921 -4.282 8.196 1.00 0.00 H new ATOM 1413 N ARG B 75 4.533 -4.065 7.703 1.00 0.00 N ATOM 1414 CA ARG B 75 5.844 -4.378 7.142 1.00 0.00 C ATOM 1415 C ARG B 75 5.709 -4.904 5.717 1.00 0.00 C ATOM 1416 O ARG B 75 4.847 -5.737 5.433 1.00 0.00 O ATOM 1417 CB ARG B 75 6.564 -5.406 8.015 1.00 0.00 C ATOM 1418 CG ARG B 75 6.765 -4.946 9.450 1.00 0.00 C ATOM 1419 CD ARG B 75 7.725 -5.857 10.195 1.00 0.00 C ATOM 1420 NE ARG B 75 7.924 -5.427 11.577 1.00 0.00 N ATOM 1421 CZ ARG B 75 8.795 -5.995 12.406 1.00 0.00 C ATOM 1422 NH1 ARG B 75 9.545 -7.009 11.995 1.00 0.00 N ATOM 1423 NH2 ARG B 75 8.920 -5.548 13.649 1.00 0.00 N ATOM 0 H ARG B 75 3.814 -4.760 7.505 1.00 0.00 H new ATOM 0 HA ARG B 75 6.433 -3.461 7.118 1.00 0.00 H new ATOM 0 HB2 ARG B 75 5.993 -6.334 8.016 1.00 0.00 H new ATOM 0 HB3 ARG B 75 7.535 -5.630 7.574 1.00 0.00 H new ATOM 0 HG2 ARG B 75 7.150 -3.926 9.456 1.00 0.00 H new ATOM 0 HG3 ARG B 75 5.805 -4.927 9.966 1.00 0.00 H new ATOM 0 HD2 ARG B 75 7.340 -6.877 10.184 1.00 0.00 H new ATOM 0 HD3 ARG B 75 8.685 -5.873 9.678 1.00 0.00 H new ATOM 0 HE ARG B 75 7.364 -4.649 11.925 1.00 0.00 H new ATOM 0 HH11 ARG B 75 9.455 -7.356 11.040 1.00 0.00 H new ATOM 0 HH12 ARG B 75 10.212 -7.442 12.634 1.00 0.00 H new ATOM 0 HH21 ARG B 75 8.347 -4.767 13.970 1.00 0.00 H new ATOM 0 HH22 ARG B 75 9.589 -5.985 14.283 1.00 0.00 H new ATOM 1437 N PHE B 76 6.566 -4.417 4.823 1.00 0.00 N ATOM 1438 CA PHE B 76 6.531 -4.840 3.427 1.00 0.00 C ATOM 1439 C PHE B 76 7.937 -5.072 2.879 1.00 0.00 C ATOM 1440 O PHE B 76 8.910 -4.484 3.358 1.00 0.00 O ATOM 1441 CB PHE B 76 5.809 -3.794 2.573 1.00 0.00 C ATOM 1442 CG PHE B 76 4.373 -3.592 2.961 1.00 0.00 C ATOM 1443 CD1 PHE B 76 4.016 -2.601 3.861 1.00 0.00 C ATOM 1444 CD2 PHE B 76 3.377 -4.395 2.426 1.00 0.00 C ATOM 1445 CE1 PHE B 76 2.696 -2.412 4.221 1.00 0.00 C ATOM 1446 CE2 PHE B 76 2.055 -4.213 2.782 1.00 0.00 C ATOM 1447 CZ PHE B 76 1.712 -3.220 3.680 1.00 0.00 C ATOM 0 H PHE B 76 7.290 -3.732 5.040 1.00 0.00 H new ATOM 0 HA PHE B 76 5.987 -5.783 3.381 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.336 -2.843 2.654 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.855 -4.096 1.527 1.00 0.00 H new ATOM 0 HD1 PHE B 76 4.780 -1.968 4.287 1.00 0.00 H new ATOM 0 HD2 PHE B 76 3.638 -5.172 1.723 1.00 0.00 H new ATOM 0 HE1 PHE B 76 2.433 -1.635 4.923 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.289 -4.846 2.359 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.679 -3.075 3.959 1.00 0.00 H new ATOM 1457 N ARG B 77 8.030 -5.934 1.869 1.00 0.00 N ATOM 1458 CA ARG B 77 9.304 -6.260 1.238 1.00 0.00 C ATOM 1459 C ARG B 77 9.139 -6.386 -0.274 1.00 0.00 C ATOM 1460 O ARG B 77 8.176 -6.984 -0.754 1.00 0.00 O ATOM 1461 CB ARG B 77 9.863 -7.566 1.816 1.00 0.00 C ATOM 1462 CG ARG B 77 10.908 -8.241 0.936 1.00 0.00 C ATOM 1463 CD ARG B 77 12.163 -7.395 0.793 1.00 0.00 C ATOM 1464 NE ARG B 77 13.172 -8.049 -0.035 1.00 0.00 N ATOM 1465 CZ ARG B 77 14.477 -7.843 0.091 1.00 0.00 C ATOM 1466 NH1 ARG B 77 14.936 -6.999 1.006 1.00 0.00 N ATOM 1467 NH2 ARG B 77 15.330 -8.482 -0.698 1.00 0.00 N ATOM 0 H ARG B 77 7.229 -6.423 1.468 1.00 0.00 H new ATOM 0 HA ARG B 77 10.006 -5.452 1.444 1.00 0.00 H new ATOM 0 HB2 ARG B 77 10.304 -7.359 2.791 1.00 0.00 H new ATOM 0 HB3 ARG B 77 9.039 -8.260 1.980 1.00 0.00 H new ATOM 0 HG2 ARG B 77 11.170 -9.210 1.362 1.00 0.00 H new ATOM 0 HG3 ARG B 77 10.484 -8.431 -0.050 1.00 0.00 H new ATOM 0 HD2 ARG B 77 11.903 -6.432 0.354 1.00 0.00 H new ATOM 0 HD3 ARG B 77 12.579 -7.194 1.780 1.00 0.00 H new ATOM 0 HE ARG B 77 12.856 -8.702 -0.752 1.00 0.00 H new ATOM 0 HH11 ARG B 77 14.285 -6.505 1.616 1.00 0.00 H new ATOM 0 HH12 ARG B 77 15.940 -6.844 1.099 1.00 0.00 H new ATOM 0 HH21 ARG B 77 14.983 -9.133 -1.403 1.00 0.00 H new ATOM 0 HH22 ARG B 77 16.333 -8.323 -0.600 1.00 0.00 H new ATOM 1481 N VAL B 78 10.083 -5.819 -1.019 1.00 0.00 N ATOM 1482 CA VAL B 78 10.039 -5.876 -2.475 1.00 0.00 C ATOM 1483 C VAL B 78 10.689 -7.157 -2.988 1.00 0.00 C ATOM 1484 O VAL B 78 11.898 -7.350 -2.848 1.00 0.00 O ATOM 1485 CB VAL B 78 10.746 -4.658 -3.099 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.561 -4.645 -4.609 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.230 -3.370 -2.480 1.00 0.00 C ATOM 0 H VAL B 78 10.885 -5.316 -0.639 1.00 0.00 H new ATOM 0 HA VAL B 78 8.990 -5.865 -2.770 1.00 0.00 H new ATOM 0 HB VAL B 78 11.813 -4.734 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL B 78 11.068 -3.777 -5.030 1.00 0.00 H new ATOM 0 HG12 VAL B 78 10.984 -5.555 -5.035 1.00 0.00 H new ATOM 0 HG13 VAL B 78 9.498 -4.594 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL B 78 10.740 -2.519 -2.932 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.158 -3.286 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.422 -3.380 -1.407 1.00 0.00 H new ATOM 1497 N ALA B 79 9.881 -8.033 -3.578 1.00 0.00 N ATOM 1498 CA ALA B 79 10.377 -9.301 -4.102 1.00 0.00 C ATOM 1499 C ALA B 79 10.330 -9.345 -5.624 1.00 0.00 C ATOM 1500 O ALA B 79 11.336 -9.628 -6.275 1.00 0.00 O ATOM 1501 CB ALA B 79 9.580 -10.458 -3.515 1.00 0.00 C ATOM 0 H ALA B 79 8.879 -7.888 -3.705 1.00 0.00 H new ATOM 0 HA ALA B 79 11.421 -9.395 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA B 79 9.959 -11.400 -3.913 1.00 0.00 H new ATOM 0 HB2 ALA B 79 9.681 -10.456 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA B 79 8.529 -10.348 -3.782 1.00 0.00 H new ATOM 1507 N ALA B 80 9.158 -9.069 -6.192 1.00 0.00 N ATOM 1508 CA ALA B 80 8.992 -9.089 -7.641 1.00 0.00 C ATOM 1509 C ALA B 80 8.827 -7.681 -8.202 1.00 0.00 C ATOM 1510 O ALA B 80 8.406 -6.764 -7.496 1.00 0.00 O ATOM 1511 CB ALA B 80 7.797 -9.949 -8.025 1.00 0.00 C ATOM 0 H ALA B 80 8.313 -8.830 -5.672 1.00 0.00 H new ATOM 0 HA ALA B 80 9.895 -9.520 -8.073 1.00 0.00 H new ATOM 0 HB1 ALA B 80 7.686 -9.954 -9.109 1.00 0.00 H new ATOM 0 HB2 ALA B 80 7.954 -10.968 -7.671 1.00 0.00 H new ATOM 0 HB3 ALA B 80 6.894 -9.542 -7.570 1.00 0.00 H new ATOM 1517 N SER B 81 9.163 -7.519 -9.477 1.00 0.00 N ATOM 1518 CA SER B 81 9.059 -6.237 -10.144 1.00 0.00 C ATOM 1519 C SER B 81 7.617 -5.936 -10.522 1.00 0.00 C ATOM 1520 O SER B 81 6.707 -6.705 -10.213 1.00 0.00 O ATOM 1521 CB SER B 81 9.937 -6.233 -11.393 1.00 0.00 C ATOM 1522 OG SER B 81 9.315 -6.935 -12.455 1.00 0.00 O ATOM 0 H SER B 81 9.513 -8.271 -10.070 1.00 0.00 H new ATOM 0 HA SER B 81 9.400 -5.462 -9.457 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.135 -5.206 -11.699 1.00 0.00 H new ATOM 0 HB3 SER B 81 10.900 -6.690 -11.166 1.00 0.00 H new ATOM 0 HG SER B 81 9.896 -6.917 -13.244 1.00 0.00 H new ATOM 1528 N GLY B 82 7.417 -4.812 -11.198 1.00 0.00 N ATOM 1529 CA GLY B 82 6.087 -4.413 -11.613 1.00 0.00 C ATOM 1530 C GLY B 82 5.676 -3.070 -11.039 1.00 0.00 C ATOM 1531 O GLY B 82 6.254 -2.605 -10.056 1.00 0.00 O ATOM 0 H GLY B 82 8.158 -4.166 -11.468 1.00 0.00 H new ATOM 0 HA2 GLY B 82 6.049 -4.366 -12.701 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.370 -5.172 -11.301 1.00 0.00 H new ATOM 1535 N ASP B 83 4.677 -2.447 -11.656 1.00 0.00 N ATOM 1536 CA ASP B 83 4.182 -1.156 -11.206 1.00 0.00 C ATOM 1537 C ASP B 83 3.074 -1.331 -10.173 1.00 0.00 C ATOM 1538 O ASP B 83 2.280 -2.267 -10.256 1.00 0.00 O ATOM 1539 CB ASP B 83 3.665 -0.355 -12.399 1.00 0.00 C ATOM 1540 CG ASP B 83 2.629 -1.116 -13.202 1.00 0.00 C ATOM 1541 OD1 ASP B 83 3.019 -1.830 -14.149 1.00 0.00 O ATOM 1542 OD2 ASP B 83 1.427 -0.999 -12.883 1.00 0.00 O ATOM 0 H ASP B 83 4.194 -2.820 -12.473 1.00 0.00 H new ATOM 0 HA ASP B 83 5.004 -0.614 -10.738 1.00 0.00 H new ATOM 0 HB2 ASP B 83 3.231 0.580 -12.045 1.00 0.00 H new ATOM 0 HB3 ASP B 83 4.502 -0.093 -13.047 1.00 0.00 H new ATOM 1547 N ASP B 84 3.024 -0.421 -9.205 1.00 0.00 N ATOM 1548 CA ASP B 84 2.011 -0.478 -8.156 1.00 0.00 C ATOM 1549 C ASP B 84 2.006 0.806 -7.330 1.00 0.00 C ATOM 1550 O ASP B 84 2.713 1.764 -7.643 1.00 0.00 O ATOM 1551 CB ASP B 84 2.259 -1.684 -7.247 1.00 0.00 C ATOM 1552 CG ASP B 84 3.627 -1.645 -6.597 1.00 0.00 C ATOM 1553 OD1 ASP B 84 3.699 -1.385 -5.378 1.00 0.00 O ATOM 1554 OD2 ASP B 84 4.628 -1.872 -7.309 1.00 0.00 O ATOM 0 H ASP B 84 3.671 0.363 -9.125 1.00 0.00 H new ATOM 0 HA ASP B 84 1.036 -0.583 -8.632 1.00 0.00 H new ATOM 0 HB2 ASP B 84 1.492 -1.716 -6.473 1.00 0.00 H new ATOM 0 HB3 ASP B 84 2.162 -2.600 -7.829 1.00 0.00 H new ATOM 1559 N ARG B 85 1.201 0.816 -6.270 1.00 0.00 N ATOM 1560 CA ARG B 85 1.099 1.977 -5.399 1.00 0.00 C ATOM 1561 C ARG B 85 0.372 1.620 -4.109 1.00 0.00 C ATOM 1562 O ARG B 85 -0.834 1.379 -4.114 1.00 0.00 O ATOM 1563 CB ARG B 85 0.362 3.105 -6.118 1.00 0.00 C ATOM 1564 CG ARG B 85 0.225 4.367 -5.285 1.00 0.00 C ATOM 1565 CD ARG B 85 -0.528 5.452 -6.040 1.00 0.00 C ATOM 1566 NE ARG B 85 0.153 5.833 -7.274 1.00 0.00 N ATOM 1567 CZ ARG B 85 -0.320 6.736 -8.126 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -1.471 7.350 -7.882 1.00 0.00 N ATOM 1569 NH2 ARG B 85 0.359 7.029 -9.229 1.00 0.00 N ATOM 0 H ARG B 85 0.611 0.031 -5.996 1.00 0.00 H new ATOM 0 HA ARG B 85 2.106 2.309 -5.147 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.891 3.344 -7.041 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.631 2.757 -6.401 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.299 4.137 -4.357 1.00 0.00 H new ATOM 0 HG3 ARG B 85 1.214 4.733 -5.010 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -1.533 5.100 -6.274 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -0.638 6.328 -5.401 1.00 0.00 H new ATOM 0 HE ARG B 85 1.041 5.381 -7.494 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -1.997 7.130 -7.037 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -1.829 8.042 -8.540 1.00 0.00 H new ATOM 0 HH21 ARG B 85 1.244 6.561 -9.422 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -0.005 7.722 -9.883 1.00 0.00 H new ATOM 1583 N LEU B 86 1.109 1.586 -3.003 1.00 0.00 N ATOM 1584 CA LEU B 86 0.522 1.252 -1.713 1.00 0.00 C ATOM 1585 C LEU B 86 -0.516 2.291 -1.305 1.00 0.00 C ATOM 1586 O LEU B 86 -0.380 3.474 -1.612 1.00 0.00 O ATOM 1587 CB LEU B 86 1.607 1.133 -0.645 1.00 0.00 C ATOM 1588 CG LEU B 86 1.103 0.887 0.778 1.00 0.00 C ATOM 1589 CD1 LEU B 86 0.393 -0.454 0.871 1.00 0.00 C ATOM 1590 CD2 LEU B 86 2.256 0.939 1.767 1.00 0.00 C ATOM 0 H LEU B 86 2.109 1.785 -2.975 1.00 0.00 H new ATOM 0 HA LEU B 86 0.021 0.288 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.277 0.319 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU B 86 2.199 2.048 -0.649 1.00 0.00 H new ATOM 0 HG LEU B 86 0.392 1.674 1.028 1.00 0.00 H new ATOM 0 HD11 LEU B 86 0.042 -0.610 1.891 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -0.457 -0.463 0.189 1.00 0.00 H new ATOM 0 HD13 LEU B 86 1.085 -1.251 0.599 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.879 0.762 2.774 1.00 0.00 H new ATOM 0 HD22 LEU B 86 2.988 0.172 1.513 1.00 0.00 H new ATOM 0 HD23 LEU B 86 2.729 1.920 1.724 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.550 1.835 -0.606 1.00 0.00 N ATOM 1603 CA GLU B 87 -2.630 2.719 -0.167 1.00 0.00 C ATOM 1604 C GLU B 87 -3.176 2.301 1.198 1.00 0.00 C ATOM 1605 O GLU B 87 -3.414 1.118 1.446 1.00 0.00 O ATOM 1606 CB GLU B 87 -3.767 2.721 -1.193 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.330 3.094 -2.600 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.290 4.055 -3.273 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.233 3.582 -3.943 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -4.100 5.283 -3.132 1.00 0.00 O ATOM 0 H GLU B 87 -1.665 0.860 -0.330 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.216 3.723 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.224 1.732 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -4.537 3.420 -0.866 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -2.338 3.545 -2.561 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -3.246 2.189 -3.202 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.375 3.283 2.076 1.00 0.00 N ATOM 1618 CA LEU B 88 -3.910 3.025 3.412 1.00 0.00 C ATOM 1619 C LEU B 88 -4.810 4.169 3.868 1.00 0.00 C ATOM 1620 O LEU B 88 -4.361 5.306 3.999 1.00 0.00 O ATOM 1621 CB LEU B 88 -2.782 2.833 4.430 1.00 0.00 C ATOM 1622 CG LEU B 88 -1.892 1.611 4.206 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -0.718 1.968 3.309 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.403 1.056 5.535 1.00 0.00 C ATOM 0 H LEU B 88 -3.174 4.265 1.886 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.497 2.108 3.355 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.154 3.724 4.422 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.222 2.762 5.425 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.481 0.840 3.710 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.094 1.087 3.159 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.089 2.318 2.346 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.128 2.755 3.778 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.771 0.186 5.356 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.829 1.820 6.059 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -2.258 0.763 6.144 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.080 3.866 4.112 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.027 4.878 4.563 1.00 0.00 C ATOM 1638 C VAL B 89 -7.405 4.658 6.024 1.00 0.00 C ATOM 1639 O VAL B 89 -7.286 3.549 6.545 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.304 4.887 3.700 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -7.958 5.112 2.237 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.084 3.593 3.879 1.00 0.00 C ATOM 0 H VAL B 89 -6.476 2.932 4.006 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.532 5.844 4.460 1.00 0.00 H new ATOM 0 HB VAL B 89 -8.936 5.711 4.031 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -8.872 5.115 1.643 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -7.450 6.070 2.126 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -7.303 4.312 1.891 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -9.981 3.621 3.261 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -8.463 2.749 3.579 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.368 3.481 4.925 1.00 0.00 H new ATOM 1652 N TYR B 90 -7.863 5.721 6.681 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.245 5.642 8.088 1.00 0.00 C ATOM 1654 C TYR B 90 -9.744 5.407 8.244 1.00 0.00 C ATOM 1655 O TYR B 90 -10.554 6.300 7.991 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.838 6.924 8.818 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.934 6.836 10.326 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.375 7.919 11.076 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.579 5.674 11.001 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.458 7.848 12.454 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.662 5.595 12.379 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.101 6.683 13.100 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.183 6.608 14.472 1.00 0.00 O ATOM 0 H TYR B 90 -7.978 6.644 6.263 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.722 4.794 8.530 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.813 7.175 8.544 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.470 7.742 8.472 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -8.658 8.832 10.574 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -7.233 4.819 10.440 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -8.801 8.700 13.022 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -7.384 4.684 12.888 1.00 0.00 H new ATOM 0 HH TYR B 90 -7.896 5.719 14.769 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.100 4.198 8.664 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.496 3.830 8.866 1.00 0.00 C ATOM 1675 C ARG B 91 -11.593 2.446 9.498 1.00 0.00 C ATOM 1676 O ARG B 91 -10.588 1.752 9.642 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.257 3.853 7.537 1.00 0.00 C ATOM 1678 CG ARG B 91 -11.728 2.861 6.515 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.544 2.894 5.233 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.070 1.919 4.255 1.00 0.00 N ATOM 1681 CZ ARG B 91 -12.739 1.596 3.152 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -13.906 2.170 2.889 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.241 0.700 2.312 1.00 0.00 N ATOM 0 H ARG B 91 -9.436 3.452 8.872 1.00 0.00 H new ATOM 0 HA ARG B 91 -11.948 4.559 9.539 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.309 3.640 7.727 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.206 4.857 7.116 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.686 3.089 6.290 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -11.751 1.856 6.936 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.590 2.695 5.465 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -12.498 3.893 4.800 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.176 1.460 4.427 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.292 2.860 3.533 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.418 1.921 2.042 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.344 0.257 2.511 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -12.755 0.453 1.466 1.00 0.00 H new ATOM 1697 N ARG B 92 -12.805 2.049 9.875 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.018 0.744 10.490 1.00 0.00 C ATOM 1699 C ARG B 92 -12.467 -0.371 9.602 1.00 0.00 C ATOM 1700 O ARG B 92 -12.352 -0.205 8.387 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.505 0.517 10.769 1.00 0.00 C ATOM 1702 CG ARG B 92 -15.074 1.456 11.820 1.00 0.00 C ATOM 1703 CD ARG B 92 -16.451 1.013 12.280 1.00 0.00 C ATOM 1704 NE ARG B 92 -17.083 2.003 13.149 1.00 0.00 N ATOM 1705 CZ ARG B 92 -18.315 1.877 13.635 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -19.044 0.809 13.340 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -18.818 2.822 14.418 1.00 0.00 N ATOM 0 H ARG B 92 -13.650 2.609 9.766 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.480 0.724 11.438 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.064 0.641 9.841 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -14.653 -0.513 11.095 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -14.400 1.496 12.676 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -15.133 2.465 11.413 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -17.084 0.837 11.411 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -16.368 0.065 12.811 1.00 0.00 H new ATOM 0 HE ARG B 92 -16.550 2.837 13.397 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -18.661 0.080 12.738 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -19.988 0.717 13.715 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -18.260 3.645 14.647 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -19.763 2.726 14.791 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.120 -1.525 10.201 1.00 0.00 N ATOM 1722 CA PRO B 93 -11.569 -2.670 9.468 1.00 0.00 C ATOM 1723 C PRO B 93 -12.353 -3.017 8.206 1.00 0.00 C ATOM 1724 O PRO B 93 -11.791 -3.554 7.252 1.00 0.00 O ATOM 1725 CB PRO B 93 -11.658 -3.806 10.486 1.00 0.00 C ATOM 1726 CG PRO B 93 -11.529 -3.126 11.801 1.00 0.00 C ATOM 1727 CD PRO B 93 -12.235 -1.808 11.647 1.00 0.00 C ATOM 0 HA PRO B 93 -10.560 -2.467 9.108 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -12.604 -4.341 10.405 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -10.865 -4.538 10.336 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -11.979 -3.721 12.596 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -10.482 -2.981 12.066 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -13.276 -1.871 11.963 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -11.766 -1.028 12.248 1.00 0.00 H new ATOM 1735 N TRP B 94 -13.650 -2.712 8.196 1.00 0.00 N ATOM 1736 CA TRP B 94 -14.478 -3.000 7.038 1.00 0.00 C ATOM 1737 C TRP B 94 -14.854 -1.714 6.308 1.00 0.00 C ATOM 1738 O TRP B 94 -14.563 -1.562 5.121 1.00 0.00 O ATOM 1739 CB TRP B 94 -15.731 -3.784 7.452 1.00 0.00 C ATOM 1740 CG TRP B 94 -16.537 -3.140 8.539 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -17.697 -2.433 8.392 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -16.251 -3.153 9.940 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -18.144 -2.003 9.617 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -17.274 -2.432 10.584 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -15.227 -3.705 10.711 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -17.302 -2.252 11.964 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -15.255 -3.526 12.081 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -16.286 -2.803 12.695 1.00 0.00 C ATOM 0 H TRP B 94 -14.142 -2.269 8.972 1.00 0.00 H new ATOM 0 HA TRP B 94 -13.902 -3.620 6.350 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -16.366 -3.917 6.576 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -15.430 -4.778 7.781 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -18.190 -2.241 7.450 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -18.987 -1.453 9.780 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -14.427 -4.262 10.245 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -18.097 -1.697 12.440 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -14.469 -3.950 12.688 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -16.278 -2.678 13.768 1.00 0.00 H new ATOM 1759 N GLU B 95 -15.489 -0.785 7.025 1.00 0.00 N ATOM 1760 CA GLU B 95 -15.899 0.489 6.446 1.00 0.00 C ATOM 1761 C GLU B 95 -16.637 1.352 7.465 1.00 0.00 C ATOM 1762 O GLU B 95 -17.639 0.931 8.046 1.00 0.00 O ATOM 1763 CB GLU B 95 -16.778 0.243 5.228 1.00 0.00 C ATOM 1764 CG GLU B 95 -18.023 -0.530 5.562 1.00 0.00 C ATOM 1765 CD GLU B 95 -18.987 -0.637 4.396 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -18.870 -1.605 3.617 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -19.858 0.248 4.263 1.00 0.00 O ATOM 0 H GLU B 95 -15.730 -0.895 8.010 1.00 0.00 H new ATOM 0 HA GLU B 95 -15.002 1.029 6.142 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -17.056 1.200 4.786 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -16.207 -0.302 4.476 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -17.745 -1.532 5.889 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -18.528 -0.050 6.400 1.00 0.00 H new ATOM 1774 N LYS B 96 -16.126 2.558 7.688 1.00 0.00 N ATOM 1775 CA LYS B 96 -16.748 3.493 8.618 1.00 0.00 C ATOM 1776 C LYS B 96 -17.501 4.558 7.834 1.00 0.00 C ATOM 1777 O LYS B 96 -16.932 5.584 7.460 1.00 0.00 O ATOM 1778 CB LYS B 96 -15.688 4.140 9.516 1.00 0.00 C ATOM 1779 CG LYS B 96 -16.252 4.782 10.777 1.00 0.00 C ATOM 1780 CD LYS B 96 -16.884 6.135 10.490 1.00 0.00 C ATOM 1781 CE LYS B 96 -17.491 6.744 11.744 1.00 0.00 C ATOM 1782 NZ LYS B 96 -18.110 8.071 11.473 1.00 0.00 N ATOM 0 H LYS B 96 -15.282 2.911 7.237 1.00 0.00 H new ATOM 0 HA LYS B 96 -17.448 2.953 9.255 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -14.958 3.383 9.802 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -15.154 4.898 8.942 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -16.996 4.120 11.220 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -15.455 4.902 11.511 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -16.131 6.811 10.084 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -17.656 6.023 9.728 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -18.244 6.068 12.148 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -16.719 6.852 12.505 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -18.422 8.498 12.369 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -17.412 8.693 11.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -18.929 7.950 10.844 1.00 0.00 H new ATOM 1796 N ASP B 97 -18.782 4.302 7.578 1.00 0.00 N ATOM 1797 CA ASP B 97 -19.606 5.228 6.812 1.00 0.00 C ATOM 1798 C ASP B 97 -19.013 5.418 5.419 1.00 0.00 C ATOM 1799 O ASP B 97 -19.386 6.338 4.690 1.00 0.00 O ATOM 1800 CB ASP B 97 -19.718 6.576 7.530 1.00 0.00 C ATOM 1801 CG ASP B 97 -20.514 6.479 8.817 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -19.919 6.134 9.859 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -21.734 6.750 8.783 1.00 0.00 O ATOM 0 H ASP B 97 -19.269 3.462 7.890 1.00 0.00 H new ATOM 0 HA ASP B 97 -20.608 4.808 6.719 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -18.719 6.951 7.751 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -20.191 7.300 6.867 1.00 0.00 H new ATOM 1808 N ALA B 98 -18.088 4.527 5.061 1.00 0.00 N ATOM 1809 CA ALA B 98 -17.425 4.569 3.765 1.00 0.00 C ATOM 1810 C ALA B 98 -16.736 5.905 3.537 1.00 0.00 C ATOM 1811 O ALA B 98 -16.386 6.261 2.413 1.00 0.00 O ATOM 1812 CB ALA B 98 -18.422 4.283 2.668 1.00 0.00 C ATOM 0 H ALA B 98 -17.781 3.761 5.660 1.00 0.00 H new ATOM 0 HA ALA B 98 -16.653 3.800 3.749 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -17.919 4.316 1.702 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -18.855 3.294 2.818 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -19.213 5.032 2.691 1.00 0.00 H new ATOM 1818 N GLU B 99 -16.547 6.627 4.623 1.00 0.00 N ATOM 1819 CA GLU B 99 -15.889 7.928 4.587 1.00 0.00 C ATOM 1820 C GLU B 99 -14.691 7.952 5.533 1.00 0.00 C ATOM 1821 O GLU B 99 -14.844 8.177 6.735 1.00 0.00 O ATOM 1822 CB GLU B 99 -16.878 9.034 4.953 1.00 0.00 C ATOM 1823 CG GLU B 99 -17.954 9.246 3.907 1.00 0.00 C ATOM 1824 CD GLU B 99 -18.826 10.451 4.200 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -18.473 11.562 3.749 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -19.862 10.284 4.876 1.00 0.00 O ATOM 0 H GLU B 99 -16.842 6.335 5.555 1.00 0.00 H new ATOM 0 HA GLU B 99 -15.529 8.103 3.573 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -17.349 8.790 5.905 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -16.332 9.967 5.097 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -17.486 9.370 2.930 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -18.580 8.355 3.850 1.00 0.00 H new ATOM 1833 N PRO B 100 -13.478 7.714 5.000 1.00 0.00 N ATOM 1834 CA PRO B 100 -12.249 7.695 5.794 1.00 0.00 C ATOM 1835 C PRO B 100 -11.750 9.095 6.132 1.00 0.00 C ATOM 1836 O PRO B 100 -11.891 10.026 5.336 1.00 0.00 O ATOM 1837 CB PRO B 100 -11.237 6.974 4.888 1.00 0.00 C ATOM 1838 CG PRO B 100 -11.994 6.556 3.663 1.00 0.00 C ATOM 1839 CD PRO B 100 -13.200 7.443 3.589 1.00 0.00 C ATOM 0 HA PRO B 100 -12.403 7.206 6.756 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -10.409 7.633 4.628 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -10.808 6.109 5.395 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -11.378 6.663 2.770 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -12.286 5.508 3.725 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -12.998 8.358 3.032 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -14.038 6.949 3.097 1.00 0.00 H new ATOM 1847 N ALA B 101 -11.163 9.239 7.317 1.00 0.00 N ATOM 1848 CA ALA B 101 -10.634 10.525 7.758 1.00 0.00 C ATOM 1849 C ALA B 101 -9.293 10.817 7.091 1.00 0.00 C ATOM 1850 O ALA B 101 -9.176 11.744 6.290 1.00 0.00 O ATOM 1851 CB ALA B 101 -10.491 10.544 9.272 1.00 0.00 C ATOM 0 H ALA B 101 -11.042 8.481 7.989 1.00 0.00 H new ATOM 0 HA ALA B 101 -11.336 11.305 7.463 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -10.095 11.509 9.588 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -11.466 10.384 9.732 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -9.809 9.753 9.583 1.00 0.00 H new ATOM 1857 N GLU B 102 -8.285 10.018 7.427 1.00 0.00 N ATOM 1858 CA GLU B 102 -6.953 10.184 6.857 1.00 0.00 C ATOM 1859 C GLU B 102 -6.843 9.460 5.523 1.00 0.00 C ATOM 1860 O GLU B 102 -7.833 8.955 4.992 1.00 0.00 O ATOM 1861 CB GLU B 102 -5.890 9.654 7.821 1.00 0.00 C ATOM 1862 CG GLU B 102 -5.401 10.688 8.818 1.00 0.00 C ATOM 1863 CD GLU B 102 -4.354 10.134 9.765 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -4.734 9.621 10.838 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -3.152 10.213 9.434 1.00 0.00 O ATOM 0 H GLU B 102 -8.366 9.249 8.092 1.00 0.00 H new ATOM 0 HA GLU B 102 -6.787 11.249 6.693 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -6.298 8.802 8.365 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -5.040 9.287 7.245 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -4.984 11.539 8.279 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -6.248 11.060 9.395 1.00 0.00 H new ATOM 1872 N SER B 103 -5.628 9.412 4.984 1.00 0.00 N ATOM 1873 CA SER B 103 -5.382 8.744 3.712 1.00 0.00 C ATOM 1874 C SER B 103 -3.890 8.539 3.484 1.00 0.00 C ATOM 1875 O SER B 103 -3.063 9.300 3.989 1.00 0.00 O ATOM 1876 CB SER B 103 -5.977 9.554 2.560 1.00 0.00 C ATOM 1877 OG SER B 103 -5.414 10.854 2.504 1.00 0.00 O ATOM 0 H SER B 103 -4.799 9.828 5.409 1.00 0.00 H new ATOM 0 HA SER B 103 -5.864 7.767 3.747 1.00 0.00 H new ATOM 0 HB2 SER B 103 -5.798 9.036 1.618 1.00 0.00 H new ATOM 0 HB3 SER B 103 -7.057 9.628 2.683 1.00 0.00 H new ATOM 0 HG SER B 103 -5.810 11.350 1.758 1.00 0.00 H new ATOM 1883 N PHE B 104 -3.553 7.506 2.720 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.156 7.201 2.424 1.00 0.00 C ATOM 1885 C PHE B 104 -2.001 6.679 1.000 1.00 0.00 C ATOM 1886 O PHE B 104 -2.856 5.948 0.499 1.00 0.00 O ATOM 1887 CB PHE B 104 -1.620 6.167 3.419 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.129 5.992 3.362 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.446 5.104 2.470 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.696 6.718 4.206 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.817 4.942 2.417 1.00 0.00 C ATOM 1892 CE2 PHE B 104 2.068 6.560 4.158 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.630 5.671 3.263 1.00 0.00 C ATOM 0 H PHE B 104 -4.225 6.867 2.295 1.00 0.00 H new ATOM 0 HA PHE B 104 -1.581 8.122 2.517 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -1.904 6.466 4.428 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.098 5.207 3.224 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.185 4.530 1.807 1.00 0.00 H new ATOM 0 HD2 PHE B 104 0.262 7.414 4.908 1.00 0.00 H new ATOM 0 HE1 PHE B 104 2.253 4.246 1.715 1.00 0.00 H new ATOM 0 HE2 PHE B 104 2.701 7.132 4.821 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.702 5.546 3.225 1.00 0.00 H new ATOM 1903 N SER B 105 -0.903 7.057 0.354 1.00 0.00 N ATOM 1904 CA SER B 105 -0.631 6.626 -1.015 1.00 0.00 C ATOM 1905 C SER B 105 0.850 6.777 -1.349 1.00 0.00 C ATOM 1906 O SER B 105 1.327 7.882 -1.614 1.00 0.00 O ATOM 1907 CB SER B 105 -1.475 7.433 -2.003 1.00 0.00 C ATOM 1908 OG SER B 105 -1.226 7.026 -3.337 1.00 0.00 O ATOM 0 H SER B 105 -0.186 7.661 0.756 1.00 0.00 H new ATOM 0 HA SER B 105 -0.897 5.572 -1.098 1.00 0.00 H new ATOM 0 HB2 SER B 105 -2.533 7.305 -1.772 1.00 0.00 H new ATOM 0 HB3 SER B 105 -1.251 8.494 -1.895 1.00 0.00 H new ATOM 0 HG SER B 105 -0.743 7.735 -3.811 1.00 0.00 H new ATOM 1914 N CYS B 106 1.573 5.661 -1.332 1.00 0.00 N ATOM 1915 CA CYS B 106 3.001 5.668 -1.635 1.00 0.00 C ATOM 1916 C CYS B 106 3.276 5.010 -2.988 1.00 0.00 C ATOM 1917 O CYS B 106 3.003 3.824 -3.176 1.00 0.00 O ATOM 1918 CB CYS B 106 3.779 4.949 -0.527 1.00 0.00 C ATOM 1919 SG CYS B 106 5.572 5.271 -0.533 1.00 0.00 S ATOM 0 H CYS B 106 1.194 4.740 -1.112 1.00 0.00 H new ATOM 0 HA CYS B 106 3.334 6.704 -1.687 1.00 0.00 H new ATOM 0 HB2 CYS B 106 3.372 5.249 0.439 1.00 0.00 H new ATOM 0 HB3 CYS B 106 3.615 3.876 -0.623 1.00 0.00 H new ATOM 1924 N ALA B 107 3.818 5.791 -3.922 1.00 0.00 N ATOM 1925 CA ALA B 107 4.130 5.289 -5.257 1.00 0.00 C ATOM 1926 C ALA B 107 5.202 4.207 -5.200 1.00 0.00 C ATOM 1927 O ALA B 107 6.217 4.366 -4.526 1.00 0.00 O ATOM 1928 CB ALA B 107 4.582 6.428 -6.161 1.00 0.00 C ATOM 0 H ALA B 107 4.050 6.774 -3.777 1.00 0.00 H new ATOM 0 HA ALA B 107 3.223 4.848 -5.670 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.811 6.037 -7.152 1.00 0.00 H new ATOM 0 HB2 ALA B 107 3.786 7.169 -6.238 1.00 0.00 H new ATOM 0 HB3 ALA B 107 5.473 6.895 -5.741 1.00 0.00 H new ATOM 1934 N ILE B 108 4.974 3.104 -5.907 1.00 0.00 N ATOM 1935 CA ILE B 108 5.936 2.006 -5.922 1.00 0.00 C ATOM 1936 C ILE B 108 5.967 1.304 -7.274 1.00 0.00 C ATOM 1937 O ILE B 108 5.006 0.646 -7.668 1.00 0.00 O ATOM 1938 CB ILE B 108 5.630 0.973 -4.820 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.642 1.648 -3.444 1.00 0.00 C ATOM 1940 CG2 ILE B 108 6.636 -0.170 -4.873 1.00 0.00 C ATOM 1941 CD1 ILE B 108 5.351 0.706 -2.294 1.00 0.00 C ATOM 0 H ILE B 108 4.140 2.947 -6.472 1.00 0.00 H new ATOM 0 HA ILE B 108 6.914 2.449 -5.733 1.00 0.00 H new ATOM 0 HB ILE B 108 4.636 0.560 -4.990 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.617 2.109 -3.285 1.00 0.00 H new ATOM 0 HG13 ILE B 108 4.905 2.451 -3.438 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.408 -0.892 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE B 108 6.579 -0.660 -5.845 1.00 0.00 H new ATOM 0 HG23 ILE B 108 7.642 0.223 -4.723 1.00 0.00 H new ATOM 0 HD11 ILE B 108 5.378 1.259 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE B 108 4.364 0.264 -2.427 1.00 0.00 H new ATOM 0 HD13 ILE B 108 6.102 -0.084 -2.271 1.00 0.00 H new ATOM 1953 N GLN B 109 7.081 1.454 -7.978 1.00 0.00 N ATOM 1954 CA GLN B 109 7.260 0.830 -9.286 1.00 0.00 C ATOM 1955 C GLN B 109 8.681 0.294 -9.427 1.00 0.00 C ATOM 1956 O GLN B 109 9.624 1.060 -9.628 1.00 0.00 O ATOM 1957 CB GLN B 109 6.963 1.833 -10.402 1.00 0.00 C ATOM 1958 CG GLN B 109 5.536 2.357 -10.387 1.00 0.00 C ATOM 1959 CD GLN B 109 5.265 3.343 -11.506 1.00 0.00 C ATOM 1960 OE1 GLN B 109 6.163 4.058 -11.951 1.00 0.00 O ATOM 1961 NE2 GLN B 109 4.021 3.383 -11.970 1.00 0.00 N ATOM 0 H GLN B 109 7.880 2.005 -7.664 1.00 0.00 H new ATOM 0 HA GLN B 109 6.561 -0.002 -9.370 1.00 0.00 H new ATOM 0 HB2 GLN B 109 7.651 2.674 -10.315 1.00 0.00 H new ATOM 0 HB3 GLN B 109 7.157 1.360 -11.365 1.00 0.00 H new ATOM 0 HG2 GLN B 109 4.844 1.519 -10.471 1.00 0.00 H new ATOM 0 HG3 GLN B 109 5.340 2.838 -9.429 1.00 0.00 H new ATOM 0 HE21 GLN B 109 3.308 2.772 -11.571 1.00 0.00 H new ATOM 0 HE22 GLN B 109 3.779 4.025 -12.725 1.00 0.00 H new ATOM 1970 N VAL B 110 8.830 -1.023 -9.321 1.00 0.00 N ATOM 1971 CA VAL B 110 10.141 -1.652 -9.428 1.00 0.00 C ATOM 1972 C VAL B 110 10.746 -1.434 -10.813 1.00 0.00 C ATOM 1973 O VAL B 110 11.556 -0.528 -11.010 1.00 0.00 O ATOM 1974 CB VAL B 110 10.073 -3.163 -9.128 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.472 -3.753 -9.035 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.295 -3.420 -7.845 1.00 0.00 C ATOM 0 H VAL B 110 8.061 -1.674 -9.161 1.00 0.00 H new ATOM 0 HA VAL B 110 10.779 -1.178 -8.682 1.00 0.00 H new ATOM 0 HB VAL B 110 9.549 -3.653 -9.949 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.404 -4.820 -8.823 1.00 0.00 H new ATOM 0 HG12 VAL B 110 11.993 -3.604 -9.981 1.00 0.00 H new ATOM 0 HG13 VAL B 110 12.023 -3.259 -8.235 1.00 0.00 H new ATOM 0 HG21 VAL B 110 9.258 -4.492 -7.650 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.788 -2.917 -7.013 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.281 -3.035 -7.951 1.00 0.00 H new ATOM 1986 N ARG B 111 10.347 -2.266 -11.772 1.00 0.00 N ATOM 1987 CA ARG B 111 10.848 -2.156 -13.137 1.00 0.00 C ATOM 1988 C ARG B 111 10.072 -1.102 -13.920 1.00 0.00 C ATOM 1989 O ARG B 111 9.039 -1.456 -14.527 1.00 0.00 O ATOM 1990 CB ARG B 111 10.758 -3.506 -13.841 1.00 0.00 C ATOM 1991 CG ARG B 111 12.078 -4.243 -13.912 1.00 0.00 C ATOM 1992 CD ARG B 111 12.732 -4.315 -12.554 1.00 0.00 C ATOM 1993 NE ARG B 111 13.931 -5.148 -12.560 1.00 0.00 N ATOM 1994 CZ ARG B 111 14.882 -5.081 -11.633 1.00 0.00 C ATOM 1995 NH1 ARG B 111 14.774 -4.221 -10.629 1.00 0.00 N ATOM 1996 NH2 ARG B 111 15.941 -5.874 -11.709 1.00 0.00 N ATOM 1997 OXT ARG B 111 10.504 0.070 -13.921 1.00 0.00 O ATOM 0 H ARG B 111 9.679 -3.023 -11.628 1.00 0.00 H new ATOM 0 HA ARG B 111 11.892 -1.847 -13.092 1.00 0.00 H new ATOM 0 HB2 ARG B 111 10.031 -4.130 -13.321 1.00 0.00 H new ATOM 0 HB3 ARG B 111 10.382 -3.354 -14.853 1.00 0.00 H new ATOM 0 HG2 ARG B 111 11.916 -5.250 -14.295 1.00 0.00 H new ATOM 0 HG3 ARG B 111 12.743 -3.739 -14.613 1.00 0.00 H new ATOM 0 HD2 ARG B 111 12.993 -3.309 -12.225 1.00 0.00 H new ATOM 0 HD3 ARG B 111 12.020 -4.712 -11.831 1.00 0.00 H new ATOM 0 HE ARG B 111 14.046 -5.820 -13.319 1.00 0.00 H new ATOM 0 HH11 ARG B 111 13.960 -3.609 -10.567 1.00 0.00 H new ATOM 0 HH12 ARG B 111 15.505 -4.171 -9.919 1.00 0.00 H new ATOM 0 HH21 ARG B 111 16.027 -6.537 -12.479 1.00 0.00 H new ATOM 0 HH22 ARG B 111 16.670 -5.821 -10.997 1.00 0.00 H new TER 2011 ARG B 111